smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H](C)c1ccc(-c2ccsc2)cc1 ZINC000000003771 173694866 /nfs/dbraw/zinc/69/48/66/173694866.db2.gz WINXAKJYORVNHU-JTQLQIEISA-N 0 0 246.331 3.692 20 0 investigational BHADRN COc1ccc2cc(-c3ccsc3)cnc2c1 ZINC000000008076 175223507 /nfs/dbraw/zinc/22/35/07/175223507.db2.gz AOLUUEDZXBVWED-UHFFFAOYSA-N 0 0 241.315 3.972 20 0 in-vivo BHADRN c1c2ccccc2[nH]c1CN1Cc2ccccc2C1 ZINC000000019205 537949917 /nfs/dbraw/zinc/94/99/17/537949917.db2.gz GPGZXVNMWHAXCO-UHFFFAOYSA-N 0 0 248.329 3.684 20 0 BHADRN Cc1ccsc1/C=C1/C(=O)Nc2ccccc21 ZINC000000021788 636817192 /nfs/dbraw/zinc/81/71/92/636817192.db2.gz PLONGIHGLJAKNF-DHZHZOJOSA-N 0 0 241.315 3.549 20 0 BHADRN Cc1nc(NC[C@H](C)c2ccccc2)sc1C ZINC000000023021 180019430 /nfs/dbraw/zinc/01/94/30/180019430.db2.gz DEJRDUPIXCEHCQ-JTQLQIEISA-N 0 0 246.379 3.976 20 0 BHADRN COc1cccc(OCc2ccccc2C)c1 ZINC000000041976 175284181 /nfs/dbraw/zinc/28/41/81/175284181.db2.gz FENQENGEOBGQCM-UHFFFAOYSA-N 0 0 228.291 3.583 20 0 BHADRN Cc1cc(C)c(Nc2nccs2)c(C)c1 ZINC000000071605 398277239 /nfs/dbraw/zinc/27/72/39/398277239.db2.gz QTINFKNQYAXJGC-UHFFFAOYSA-N 0 0 218.325 3.812 20 0 BHADRN CC(C)(C)c1csc(Nc2cccnc2)n1 ZINC000000074755 187924108 /nfs/dbraw/zinc/92/41/08/187924108.db2.gz QNNTWUDYQVROKV-UHFFFAOYSA-N 0 0 233.340 3.579 20 0 BHADRN Cc1ccc2[nH]c(-c3cccs3)nc2c1C ZINC000000092191 188158597 /nfs/dbraw/zinc/15/85/97/188158597.db2.gz HEOSNCWWWFXGHS-UHFFFAOYSA-N 0 0 228.320 3.908 20 0 BHADRN Cc1ccc2[nH]c(-c3ccsc3)nc2c1C ZINC000000092198 188158908 /nfs/dbraw/zinc/15/89/08/188158908.db2.gz JEVDKQBZSYETET-UHFFFAOYSA-N 0 0 228.320 3.908 20 0 BHADRN c1cc2c(ncnc2Sc2ccccc2)s1 ZINC000000115995 386602964 /nfs/dbraw/zinc/60/29/64/386602964.db2.gz JALNRCPKQKVJSF-UHFFFAOYSA-N 0 0 244.344 3.843 20 0 BHADRN CO[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000000162180 344581054 /nfs/dbraw/zinc/58/10/54/344581054.db2.gz JNRMPRMOUOJGNU-QMMMGPOBSA-N 0 0 239.529 3.744 20 0 BHADRN CO[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000000162181 383837463 /nfs/dbraw/zinc/83/74/63/383837463.db2.gz JNRMPRMOUOJGNU-MRVPVSSYSA-N 0 0 239.529 3.744 20 0 BHADRN CC(C)OC(=O)c1cc2sccc2s1 ZINC000000165267 167171766 /nfs/dbraw/zinc/17/17/66/167171766.db2.gz VKMFODLQKWWSLB-UHFFFAOYSA-N 0 0 226.322 3.528 20 0 BHADRN CCN(CC)C(=O)c1ccc(C(C)(C)C)s1 ZINC000000171680 169759796 /nfs/dbraw/zinc/75/97/96/169759796.db2.gz LXPNJZUJVPJBBF-UHFFFAOYSA-N 0 0 239.384 3.528 20 0 BHADRN Cc1ccc(SCc2ccccn2)cc1 ZINC000000178045 368513655 /nfs/dbraw/zinc/51/36/55/368513655.db2.gz BTIGDIZWWFXKIA-UHFFFAOYSA-N 0 0 215.321 3.682 20 0 BHADRN Cc1cc(N2CCC(C)CC2)nc2ccccc12 ZINC000000191186 132313213 /nfs/dbraw/zinc/31/32/13/132313213.db2.gz KDJVHEQIWCGYPH-UHFFFAOYSA-N 0 0 240.350 3.780 20 0 BHADRN CC[C@@H](C)Nc1nc(C)nc2sc(C)c(C)c21 ZINC000000215550 346918150 /nfs/dbraw/zinc/91/81/50/346918150.db2.gz FPSLLTPWAOPOCN-SSDOTTSWSA-N 0 0 249.383 3.827 20 0 BHADRN CC[C@H](C)Nc1nc(C)nc2sc(C)c(C)c21 ZINC000000215552 171350290 /nfs/dbraw/zinc/35/02/90/171350290.db2.gz FPSLLTPWAOPOCN-ZETCQYMHSA-N 0 0 249.383 3.827 20 0 BHADRN O=C(CC1CCC1)Nc1ccc2ccccc2c1 ZINC000000222067 587544527 /nfs/dbraw/zinc/54/45/27/587544527.db2.gz JEKLDYGKAPMUBX-UHFFFAOYSA-N 0 0 239.318 3.969 20 0 BHADRN CCc1cccc(NC(=O)Oc2ccccc2)c1 ZINC000000243354 383847484 /nfs/dbraw/zinc/84/74/84/383847484.db2.gz RNLMSEMFBXQGQG-UHFFFAOYSA-N 0 0 241.290 3.860 20 0 BHADRN Cc1cc(NCc2cccnc2)nc2ccccc12 ZINC000000256769 178175719 /nfs/dbraw/zinc/17/57/19/178175719.db2.gz DFWOSVRQCZIGRM-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC000000292021 387688251 /nfs/dbraw/zinc/68/82/51/387688251.db2.gz PWUUSWNBLCEOON-UHFFFAOYSA-N 0 0 241.290 3.746 20 0 BHADRN Nc1ccc(Nc2ccccc2)c(Cl)c1 ZINC000000307946 181720438 /nfs/dbraw/zinc/72/04/38/181720438.db2.gz VCYOPQIOTRGQLA-UHFFFAOYSA-N 0 0 218.687 3.666 20 0 BHADRN Fc1ccc(-c2cccc3cc[nH]c32)cc1 ZINC000000409586 342687257 /nfs/dbraw/zinc/68/72/57/342687257.db2.gz NJPOTRCQJRBMIR-UHFFFAOYSA-N 0 0 211.239 3.974 20 0 BHADRN CCc1ccc(OC(=O)c2cccs2)cc1 ZINC000000486588 591940251 /nfs/dbraw/zinc/94/02/51/591940251.db2.gz ZELPZKMDWGNFQF-UHFFFAOYSA-N 0 0 232.304 3.530 20 0 BHADRN Cc1cc(C)cc(C(=O)NC2CCCCCC2)c1 ZINC000000496727 488085505 /nfs/dbraw/zinc/08/55/05/488085505.db2.gz OZKDZVHUTSUCJK-UHFFFAOYSA-N 0 0 245.366 3.756 20 0 BHADRN O=C(/C=C/c1ccco1)Oc1ccc(Cl)cc1 ZINC000000499114 181845818 /nfs/dbraw/zinc/84/58/18/181845818.db2.gz RBTNNTADQJVKOX-BQYQJAHWSA-N 0 0 248.665 3.552 20 0 BHADRN Cc1cc(C)cc(OC(=O)c2ccc(F)cc2)c1 ZINC000000504904 177910670 /nfs/dbraw/zinc/91/06/70/177910670.db2.gz PMOQRBKOUUDBLR-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN Cc1cc(C)cc(OC(=O)c2ccccc2)c1 ZINC000000504906 642788820 /nfs/dbraw/zinc/78/88/20/642788820.db2.gz UUNUHDBRVCYFPO-UHFFFAOYSA-N 0 0 226.275 3.523 20 0 BHADRN O=C(CCC1CCCC1)NC1CCCCCC1 ZINC000000505425 487477046 /nfs/dbraw/zinc/47/70/46/487477046.db2.gz NNWMCELQWYKREO-UHFFFAOYSA-N 0 0 237.387 3.796 20 0 BHADRN C[C@H](NC(=O)CCC1CCCC1)c1ccccc1 ZINC000000505442 363053947 /nfs/dbraw/zinc/05/39/47/363053947.db2.gz QUCTVOJDDPNIFK-ZDUSSCGKSA-N 0 0 245.366 3.834 20 0 BHADRN C[C@@H](NC(=O)CCC1CCCC1)c1ccccc1 ZINC000000505443 388417939 /nfs/dbraw/zinc/41/79/39/388417939.db2.gz QUCTVOJDDPNIFK-CYBMUJFWSA-N 0 0 245.366 3.834 20 0 BHADRN O=C(Oc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000000511905 342689214 /nfs/dbraw/zinc/68/92/14/342689214.db2.gz UNMBXFPVBYYKPX-UHFFFAOYSA-N 0 0 238.286 3.669 20 0 BHADRN Cc1ccccc1Nc1nc2ccccc2n1C ZINC000000512997 179308173 /nfs/dbraw/zinc/30/81/73/179308173.db2.gz JJRWGZYSAUYRSQ-UHFFFAOYSA-N 0 0 237.306 3.625 20 0 BHADRN Cc1cccc(Nc2nc3ccccc3n2C)c1 ZINC000000512998 179158501 /nfs/dbraw/zinc/15/85/01/179158501.db2.gz HJDPXMYMYVMGOR-UHFFFAOYSA-N 0 0 237.306 3.625 20 0 BHADRN Cc1ccc(C)c(C(=O)N(C(C)C)C(C)C)c1 ZINC000000514808 178464291 /nfs/dbraw/zinc/46/42/91/178464291.db2.gz QPGNTYIIFDKCKM-UHFFFAOYSA-N 0 0 233.355 3.562 20 0 BHADRN Cc1ccc(OC(=O)c2ccccc2)c(C)c1 ZINC000000516660 178808449 /nfs/dbraw/zinc/80/84/49/178808449.db2.gz HAWWUGISIVGGCY-UHFFFAOYSA-N 0 0 226.275 3.523 20 0 BHADRN Cc1ccc(CNc2ccc(N(C)C)cc2)s1 ZINC000000516884 632664480 /nfs/dbraw/zinc/66/44/80/632664480.db2.gz HIQLQDWGFGQNGP-UHFFFAOYSA-N 0 0 246.379 3.735 20 0 BHADRN CCc1ccc(CNc2ccc(OC)cc2)cc1 ZINC000000517053 171813702 /nfs/dbraw/zinc/81/37/02/171813702.db2.gz AERUFYFLVQXXMF-UHFFFAOYSA-N 0 0 241.334 3.870 20 0 BHADRN COc1ccc(Nc2nc(C)c(C)s2)cc1 ZINC000000562963 342690068 /nfs/dbraw/zinc/69/00/68/342690068.db2.gz LJERSSMDSZRYNC-UHFFFAOYSA-N 0 0 234.324 3.512 20 0 BHADRN Fc1ccc(COc2ccc(F)cc2)cc1 ZINC000000564509 363054899 /nfs/dbraw/zinc/05/48/99/363054899.db2.gz XQBZGFQOCAFRPQ-UHFFFAOYSA-N 0 0 220.218 3.544 20 0 BHADRN Cc1ccc(CNc2ccc(N(C)C)cc2)cc1 ZINC000000570723 178638477 /nfs/dbraw/zinc/63/84/77/178638477.db2.gz DUYMTDWWDYOSLL-UHFFFAOYSA-N 0 0 240.350 3.673 20 0 BHADRN COc1ccc(NCc2ccccc2)cc1Cl ZINC000000571460 175152609 /nfs/dbraw/zinc/15/26/09/175152609.db2.gz FVZOKVFJAFAGOP-UHFFFAOYSA-N 0 0 247.725 3.961 20 0 BHADRN CN(C)c1ccc(NCc2ccc(F)cc2)cc1 ZINC000000572236 642793903 /nfs/dbraw/zinc/79/39/03/642793903.db2.gz UGCQYSMXRYEHHP-UHFFFAOYSA-N 0 0 244.313 3.504 20 0 BHADRN CC(=O)N(Cc1ccccc1)c1cccc(C)c1 ZINC000000577175 526500211 /nfs/dbraw/zinc/50/02/11/526500211.db2.gz HAFYMLMSYAVQTA-UHFFFAOYSA-N 0 0 239.318 3.548 20 0 BHADRN CC[C@@H](C)NC(=O)c1cc(Cl)ccc1Cl ZINC000000577937 342690823 /nfs/dbraw/zinc/69/08/23/342690823.db2.gz BKRXDMZPPNCHFV-SSDOTTSWSA-N 0 0 246.137 3.522 20 0 BHADRN CC[C@H](C)NC(=O)c1cc(Cl)ccc1Cl ZINC000000577938 171336563 /nfs/dbraw/zinc/33/65/63/171336563.db2.gz BKRXDMZPPNCHFV-ZETCQYMHSA-N 0 0 246.137 3.522 20 0 BHADRN c1ccc(-c2nc3cc4ccccc4cc3[nH]2)nc1 ZINC000000801238 183383224 /nfs/dbraw/zinc/38/32/24/183383224.db2.gz GJADDFHYLPUPBD-UHFFFAOYSA-N 0 0 245.285 3.778 20 0 BHADRN CC(C)CNc1nc(-c2ccccc2)cs1 ZINC000000882183 167018272 /nfs/dbraw/zinc/01/82/72/167018272.db2.gz TXLLFBYVXJEVOH-UHFFFAOYSA-N 0 0 232.352 3.878 20 0 BHADRN O=C(OC1CCCCC1)c1ccccc1Cl ZINC000001006379 587644017 /nfs/dbraw/zinc/64/40/17/587644017.db2.gz IUFYEGHDRBHEGD-UHFFFAOYSA-N 0 0 238.714 3.830 20 0 BHADRN COc1ccc2cc(-c3ccccc3)ncc2c1 ZINC000001017954 175223962 /nfs/dbraw/zinc/22/39/62/175223962.db2.gz LSVLRXZNHHSROX-UHFFFAOYSA-N 0 0 235.286 3.910 20 0 BHADRN CC(C)CCNC(=O)Nc1ccc(C(C)C)cc1 ZINC000001096666 487834616 /nfs/dbraw/zinc/83/46/16/487834616.db2.gz VVZLQWHGLOZSEL-UHFFFAOYSA-N 0 0 248.370 3.978 20 0 BHADRN CCCc1ccccc1-c1ccccc1CO ZINC000001256880 487951460 /nfs/dbraw/zinc/95/14/60/487951460.db2.gz KUFJZXSNEFLMRX-UHFFFAOYSA-N 0 0 226.319 3.798 20 0 BHADRN CCCc1ccc(-c2ccc(CO)cc2)cc1 ZINC000001260432 360999231 /nfs/dbraw/zinc/99/92/31/360999231.db2.gz COHUBJGFTOSYNN-UHFFFAOYSA-N 0 0 226.319 3.798 20 0 BHADRN CCC(CC)C(=O)N(Cc1ccccc1)C(C)C ZINC000001458559 168333191 /nfs/dbraw/zinc/33/31/91/168333191.db2.gz WRHAIVRUTVACRO-UHFFFAOYSA-N 0 0 247.382 3.860 20 0 BHADRN CC(C)Cn1c2ccccc2nc1C(F)(F)F ZINC000001473116 187409171 /nfs/dbraw/zinc/40/91/71/187409171.db2.gz QTGRZYIHDSXAAM-UHFFFAOYSA-N 0 0 242.244 3.711 20 0 BHADRN CSc1ccc(Nc2nc(C)cc(C)n2)cc1 ZINC000001495901 490215857 /nfs/dbraw/zinc/21/58/57/490215857.db2.gz WVBKPIFRDYIZNH-UHFFFAOYSA-N 0 0 245.351 3.559 20 0 BHADRN Cc1ccc(-c2cnn(Cc3ccccc3)c2)cc1 ZINC000001504487 178329462 /nfs/dbraw/zinc/32/94/62/178329462.db2.gz WRFKTQUIZLAQMC-UHFFFAOYSA-N 0 0 248.329 3.907 20 0 BHADRN Cc1ccc(-c2cnn(-c3ccccc3)c2)cc1 ZINC000001504492 178328721 /nfs/dbraw/zinc/32/87/21/178328721.db2.gz LSXLTQBGMFPSGI-UHFFFAOYSA-N 0 0 234.302 3.848 20 0 BHADRN Cc1ccc(-c2cnn(C(C)(C)C)c2)cc1 ZINC000001504515 178329225 /nfs/dbraw/zinc/32/92/25/178329225.db2.gz WJILYROSEWZECQ-UHFFFAOYSA-N 0 0 214.312 3.614 20 0 BHADRN Clc1ccc(-c2cnc3n2CCCC3)cc1 ZINC000001509477 355924660 /nfs/dbraw/zinc/92/46/60/355924660.db2.gz KGFVQOKENDNMIS-UHFFFAOYSA-N 0 0 232.714 3.540 20 0 BHADRN CCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000001516356 168243357 /nfs/dbraw/zinc/24/33/57/168243357.db2.gz YUPPBXCDOVHDTC-UHFFFAOYSA-N 0 0 225.291 3.702 20 0 BHADRN Cc1ccc2[nH]c(-c3cccnc3)cc2c1 ZINC000001519623 346448537 /nfs/dbraw/zinc/44/85/37/346448537.db2.gz WUBQWYCYOWTLTJ-UHFFFAOYSA-N 0 0 208.264 3.538 20 0 BHADRN Cc1cc(C)c(-c2cscn2)c(C)c1 ZINC000001520036 177834975 /nfs/dbraw/zinc/83/49/75/177834975.db2.gz IDNVUFHBLUELPI-UHFFFAOYSA-N 0 0 203.310 3.735 20 0 BHADRN CC(C)c1ccc(-c2cscn2)cc1 ZINC000001520037 582458378 /nfs/dbraw/zinc/45/83/78/582458378.db2.gz YKAQYVQXFFHRTE-UHFFFAOYSA-N 0 0 203.310 3.934 20 0 BHADRN CCCc1ccc(-c2cscn2)cc1 ZINC000001520049 169568319 /nfs/dbraw/zinc/56/83/19/169568319.db2.gz SXWZBQSNSOOLRB-UHFFFAOYSA-N 0 0 203.310 3.763 20 0 BHADRN CCOc1ccc(C)cc1-c1cscn1 ZINC000001520058 170539532 /nfs/dbraw/zinc/53/95/32/170539532.db2.gz IBFVYCNOXHSXRS-UHFFFAOYSA-N 0 0 219.309 3.517 20 0 BHADRN c1nc(-c2cccc3ccccc32)cs1 ZINC000001520102 487571473 /nfs/dbraw/zinc/57/14/73/487571473.db2.gz BSPZCZDUQKQRQL-UHFFFAOYSA-N 0 0 211.289 3.963 20 0 BHADRN CCOc1ccc(-c2cscn2)c(C)c1 ZINC000001520165 342702480 /nfs/dbraw/zinc/70/24/80/342702480.db2.gz FNZXFFFRTOFSJQ-UHFFFAOYSA-N 0 0 219.309 3.517 20 0 BHADRN CCCCOC(=O)[C@@H](CC)c1ccccc1 ZINC000001561128 643082170 /nfs/dbraw/zinc/08/21/70/643082170.db2.gz UZJFIFOABDZLRV-ZDUSSCGKSA-N 0 0 220.312 3.524 20 0 BHADRN CCCCCCC(=O)Nc1ccccc1OC ZINC000001561564 643083022 /nfs/dbraw/zinc/08/30/22/643083022.db2.gz NBTITMYKWVIKME-UHFFFAOYSA-N 0 0 235.327 3.604 20 0 BHADRN C/C=C(\C)C(=O)Nc1c(C)cccc1Cl ZINC000001569103 383905583 /nfs/dbraw/zinc/90/55/83/383905583.db2.gz BOFROQJRJGMYKK-XBXARRHUSA-N 0 0 223.703 3.553 20 0 BHADRN C/C=C(/C)C(=O)Nc1c(C)cccc1Cl ZINC000001569104 383906287 /nfs/dbraw/zinc/90/62/87/383906287.db2.gz BOFROQJRJGMYKK-YWEYNIOJSA-N 0 0 223.703 3.553 20 0 BHADRN CCCCCOC(=O)c1ccccc1Cl ZINC000001586510 168724579 /nfs/dbraw/zinc/72/45/79/168724579.db2.gz SUCIUJIXAHNYGX-UHFFFAOYSA-N 0 0 226.703 3.687 20 0 BHADRN Fc1ccc(Nc2ccc(F)c(F)c2)cc1F ZINC000001595360 180978898 /nfs/dbraw/zinc/97/88/98/180978898.db2.gz ZRJAVMVAQXIURD-UHFFFAOYSA-N 0 0 241.187 3.987 20 0 BHADRN CC(=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC000001596321 383908846 /nfs/dbraw/zinc/90/88/46/383908846.db2.gz YRUSFVBLDAZJPD-UHFFFAOYSA-N 0 0 246.693 3.932 20 0 BHADRN CCC(=O)Oc1ccccc1-c1ccccc1 ZINC000001597223 168250863 /nfs/dbraw/zinc/25/08/63/168250863.db2.gz HPTNBOLRFMQMMX-UHFFFAOYSA-N 0 0 226.275 3.669 20 0 BHADRN CCC(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000001597230 528425293 /nfs/dbraw/zinc/42/52/93/528425293.db2.gz KOJPJRRHTNVKDP-UHFFFAOYSA-N 0 0 219.328 3.723 20 0 BHADRN O=C(CC1CCCCC1)OCCc1ccccc1 ZINC000001597271 587695237 /nfs/dbraw/zinc/69/52/37/587695237.db2.gz RTDLUEQLGMFASB-UHFFFAOYSA-N 0 0 246.350 3.743 20 0 BHADRN CC(C)C(=O)OCc1ccc(Cl)cc1Cl ZINC000001597465 587695440 /nfs/dbraw/zinc/69/54/40/587695440.db2.gz AEZNFJTYRWCJLG-UHFFFAOYSA-N 0 0 247.121 3.693 20 0 BHADRN CC(C)C(=O)OCc1ccc(Cl)c(Cl)c1 ZINC000001597466 587695578 /nfs/dbraw/zinc/69/55/78/587695578.db2.gz IPIXAUDVMSRCDX-UHFFFAOYSA-N 0 0 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20 0 BHADRN CC(=O)c1ccc(O[C@H](C)CC(C)C)cc1 ZINC000019871353 385153467 /nfs/dbraw/zinc/15/34/67/385153467.db2.gz MNNNJSKWJCZYDG-LLVKDONJSA-N 0 0 220.312 3.703 20 0 BHADRN CC(=O)c1ccc(O[C@@H](C)CC(C)C)cc1 ZINC000019871354 385358640 /nfs/dbraw/zinc/35/86/40/385358640.db2.gz MNNNJSKWJCZYDG-NSHDSACASA-N 0 0 220.312 3.703 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H]1CCSC1 ZINC000019875265 342960379 /nfs/dbraw/zinc/96/03/79/342960379.db2.gz PWWCNZKNXJMIOQ-SNVBAGLBSA-N 0 0 227.760 3.566 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H]1CCSC1 ZINC000019875266 342960309 /nfs/dbraw/zinc/96/03/09/342960309.db2.gz PWWCNZKNXJMIOQ-JTQLQIEISA-N 0 0 227.760 3.566 20 0 BHADRN Cc1ccc(Cl)cc1NCc1ccncc1 ZINC000019875272 178664165 /nfs/dbraw/zinc/66/41/65/178664165.db2.gz BXCSFOFSZIYCNX-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)C1CC1 ZINC000019875292 342960300 /nfs/dbraw/zinc/96/03/00/342960300.db2.gz MBYNAKUCMKVWOL-SECBINFHSA-N 0 0 209.720 3.859 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)C1CC1 ZINC000019875293 342960453 /nfs/dbraw/zinc/96/04/53/342960453.db2.gz MBYNAKUCMKVWOL-VIFPVBQESA-N 0 0 209.720 3.859 20 0 BHADRN Cc1cccc(NCc2ccc(F)cc2F)c1 ZINC000019877044 179150363 /nfs/dbraw/zinc/15/03/63/179150363.db2.gz NEZFHNAPEQOXMK-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1cccc(NCc2ccccc2C)c1 ZINC000019877053 179149856 /nfs/dbraw/zinc/14/98/56/179149856.db2.gz UQTBRQWEBHKEFC-UHFFFAOYSA-N 0 0 211.308 3.916 20 0 BHADRN Cc1ccc(CNc2cccc(C)c2)cc1 ZINC000019877054 347517358 /nfs/dbraw/zinc/51/73/58/347517358.db2.gz ZVZHEQWBBZCBGG-UHFFFAOYSA-N 0 0 211.308 3.916 20 0 BHADRN Cc1cccc(CNc2cccc(C)c2)c1 ZINC000019877056 347302945 /nfs/dbraw/zinc/30/29/45/347302945.db2.gz XADPHIDXAGOWAQ-UHFFFAOYSA-N 0 0 211.308 3.916 20 0 BHADRN Cc1cccc(NCc2c(F)cccc2F)c1 ZINC000019877057 179149197 /nfs/dbraw/zinc/14/91/97/179149197.db2.gz QOCJKJJIPNVXIX-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1cccc(NCc2ccc(F)c(F)c2)c1 ZINC000019877058 179150083 /nfs/dbraw/zinc/15/00/83/179150083.db2.gz UDJIEOGSIINJCX-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1ccsc1CNc1cccc(C)c1 ZINC000019877073 179152250 /nfs/dbraw/zinc/15/22/50/179152250.db2.gz XXPDWBFWAGTFHC-UHFFFAOYSA-N 0 0 217.337 3.977 20 0 BHADRN Cc1cccc(NCc2ccsc2)c1 ZINC000019877075 179150876 /nfs/dbraw/zinc/15/08/76/179150876.db2.gz ZVNZHALIROQWBN-UHFFFAOYSA-N 0 0 203.310 3.669 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccccn2)c1 ZINC000019877122 179155842 /nfs/dbraw/zinc/15/58/42/179155842.db2.gz VENYNWJJSZYBGS-GFCCVEGCSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccccn2)c1 ZINC000019877124 179153913 /nfs/dbraw/zinc/15/39/13/179153913.db2.gz VENYNWJJSZYBGS-LBPRGKRZSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccncc2)c1 ZINC000019877125 179156379 /nfs/dbraw/zinc/15/63/79/179156379.db2.gz NJMJGKLFBFXKJL-GFCCVEGCSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccncc2)c1 ZINC000019877127 179153122 /nfs/dbraw/zinc/15/31/22/179153122.db2.gz NJMJGKLFBFXKJL-LBPRGKRZSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1cccc(N[C@H](C)c2cccnc2)c1 ZINC000019877128 179156345 /nfs/dbraw/zinc/15/63/45/179156345.db2.gz CLUWXYWYPXINID-GFCCVEGCSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cccnc2)c1 ZINC000019877130 179153307 /nfs/dbraw/zinc/15/33/07/179153307.db2.gz CLUWXYWYPXINID-LBPRGKRZSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccco2)c1 ZINC000019877156 179156135 /nfs/dbraw/zinc/15/61/35/179156135.db2.gz GJBYFPHYBMVTLY-LLVKDONJSA-N 0 0 201.269 3.761 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccco2)c1 ZINC000019877158 179153959 /nfs/dbraw/zinc/15/39/59/179153959.db2.gz GJBYFPHYBMVTLY-NSHDSACASA-N 0 0 201.269 3.761 20 0 BHADRN Cc1cccc(N[C@H](C)c2cccc(O)c2)c1 ZINC000019877220 179156177 /nfs/dbraw/zinc/15/61/77/179156177.db2.gz GWKAMJHBODEJOH-GFCCVEGCSA-N 0 0 227.307 3.874 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cccc(O)c2)c1 ZINC000019877221 179152713 /nfs/dbraw/zinc/15/27/13/179152713.db2.gz GWKAMJHBODEJOH-LBPRGKRZSA-N 0 0 227.307 3.874 20 0 BHADRN Cc1ccc(CNc2ccc(C)cc2C)o1 ZINC000019877373 178762965 /nfs/dbraw/zinc/76/29/65/178762965.db2.gz WPNVZQWRAABIAJ-UHFFFAOYSA-N 0 0 215.296 3.817 20 0 BHADRN Cc1ccc(NCc2ccsc2)c(C)c1 ZINC000019877381 342960871 /nfs/dbraw/zinc/96/08/71/342960871.db2.gz LLVYCQOLPRYCLI-UHFFFAOYSA-N 0 0 217.337 3.977 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccccn2)c(C)c1 ZINC000019877416 342960660 /nfs/dbraw/zinc/96/06/60/342960660.db2.gz GYAIDDKDPLNDPZ-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccccn2)c(C)c1 ZINC000019877418 342960830 /nfs/dbraw/zinc/96/08/30/342960830.db2.gz GYAIDDKDPLNDPZ-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccncc2)c(C)c1 ZINC000019877420 342960847 /nfs/dbraw/zinc/96/08/47/342960847.db2.gz UKLIQITYXPHDRI-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccncc2)c(C)c1 ZINC000019877422 342960967 /nfs/dbraw/zinc/96/09/67/342960967.db2.gz UKLIQITYXPHDRI-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(N[C@H](C)c2cccnc2)c(C)c1 ZINC000019877424 342960645 /nfs/dbraw/zinc/96/06/45/342960645.db2.gz SMFBDEQAEWDVNX-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cccnc2)c(C)c1 ZINC000019877426 342960710 /nfs/dbraw/zinc/96/07/10/342960710.db2.gz SMFBDEQAEWDVNX-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN COc1ccc(N[C@@H](C)c2ccc(C)cc2)cn1 ZINC000019877670 175153813 /nfs/dbraw/zinc/15/38/13/175153813.db2.gz APBZPUAUXSFYSY-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@H](C)c2ccc(C)cc2)cn1 ZINC000019877671 175154474 /nfs/dbraw/zinc/15/44/74/175154474.db2.gz APBZPUAUXSFYSY-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN CC[C@@H](Nc1ccc(OC)nc1)c1ccccc1 ZINC000019877672 347305246 /nfs/dbraw/zinc/30/52/46/347305246.db2.gz REBLSFWAYMHJBW-CQSZACIVSA-N 0 0 242.322 3.653 20 0 BHADRN CC[C@H](Nc1ccc(OC)nc1)c1ccccc1 ZINC000019877674 347305409 /nfs/dbraw/zinc/30/54/09/347305409.db2.gz REBLSFWAYMHJBW-AWEZNQCLSA-N 0 0 242.322 3.653 20 0 BHADRN COc1ccc(N[C@@H](C)c2ccccc2C)cn1 ZINC000019877848 175153942 /nfs/dbraw/zinc/15/39/42/175153942.db2.gz WGQMYFIBVQETJF-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@H](C)c2ccccc2C)cn1 ZINC000019877849 175154878 /nfs/dbraw/zinc/15/48/78/175154878.db2.gz WGQMYFIBVQETJF-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@@H](C)c2ccc(C)s2)cn1 ZINC000019877985 175154286 /nfs/dbraw/zinc/15/42/86/175154286.db2.gz HTOAMBWSNMAUKK-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccc(N[C@H](C)c2ccc(C)s2)cn1 ZINC000019877987 175154974 /nfs/dbraw/zinc/15/49/74/175154974.db2.gz HTOAMBWSNMAUKK-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN C[C@@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000019878049 385162059 /nfs/dbraw/zinc/16/20/59/385162059.db2.gz BDJZPCDJJFHKOQ-LLVKDONJSA-N 0 0 247.288 3.816 20 0 BHADRN C[C@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000019878050 385160305 /nfs/dbraw/zinc/16/03/05/385160305.db2.gz BDJZPCDJJFHKOQ-NSHDSACASA-N 0 0 247.288 3.816 20 0 BHADRN Cc1ccc(CNc2ccccc2)c(C)c1 ZINC000019879206 347303775 /nfs/dbraw/zinc/30/37/75/347303775.db2.gz FWEZTSMYSGYJHE-UHFFFAOYSA-N 0 0 211.308 3.916 20 0 BHADRN Fc1ccc(CNc2ccccc2)c(F)c1 ZINC000019879220 356990945 /nfs/dbraw/zinc/99/09/45/356990945.db2.gz PXDMYAAPOFKVDS-UHFFFAOYSA-N 0 0 219.234 3.577 20 0 BHADRN FC(F)Oc1ccc(CNc2ccccc2)cc1 ZINC000019879223 180907211 /nfs/dbraw/zinc/90/72/11/180907211.db2.gz UWEGNRLKEWONSN-UHFFFAOYSA-N 0 0 249.260 3.900 20 0 BHADRN Fc1cccc(F)c1CNc1ccccc1 ZINC000019879238 181000636 /nfs/dbraw/zinc/00/06/36/181000636.db2.gz JCVALUFZFKADCE-UHFFFAOYSA-N 0 0 219.234 3.577 20 0 BHADRN Fc1ccc(CNc2ccccc2)cc1F ZINC000019879239 347303888 /nfs/dbraw/zinc/30/38/88/347303888.db2.gz MRVFGXUCIPJRIY-UHFFFAOYSA-N 0 0 219.234 3.577 20 0 BHADRN C[C@@H](Nc1ccccc1)c1ccccc1F ZINC000019879338 175933964 /nfs/dbraw/zinc/93/39/64/175933964.db2.gz SSYNASJTFNJDMK-LLVKDONJSA-N 0 0 215.271 3.999 20 0 BHADRN C[C@H](Nc1ccccc1)c1ccccc1F ZINC000019879339 538929349 /nfs/dbraw/zinc/92/93/49/538929349.db2.gz SSYNASJTFNJDMK-NSHDSACASA-N 0 0 215.271 3.999 20 0 BHADRN C[C@@H](CCc1ccc(O)cc1)Nc1ccccc1 ZINC000019879455 347303709 /nfs/dbraw/zinc/30/37/09/347303709.db2.gz DFXJOYHROQNGGZ-ZDUSSCGKSA-N 0 0 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/nfs/dbraw/zinc/99/22/52/356992252.db2.gz UDSFJPBAQGBSCW-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN CCCCNc1cc(OC)c(Cl)cc1OC ZINC000019906042 385193471 /nfs/dbraw/zinc/19/34/71/385193471.db2.gz HLRMRSBINDTJPB-UHFFFAOYSA-N 0 0 243.734 3.569 20 0 BHADRN CC[C@@H](C)Nc1cc(OC)c(Cl)cc1OC ZINC000019906046 347314368 /nfs/dbraw/zinc/31/43/68/347314368.db2.gz FOGWKLRRWKGRGG-MRVPVSSYSA-N 0 0 243.734 3.568 20 0 BHADRN CC[C@H](C)Nc1cc(OC)c(Cl)cc1OC ZINC000019906047 171349872 /nfs/dbraw/zinc/34/98/72/171349872.db2.gz FOGWKLRRWKGRGG-QMMMGPOBSA-N 0 0 243.734 3.568 20 0 BHADRN CCC(CC)CNc1ccc2c(c1)OCCCO2 ZINC000019906097 168365879 /nfs/dbraw/zinc/36/58/79/168365879.db2.gz PRVBGWBDJMQWBJ-UHFFFAOYSA-N 0 0 249.354 3.696 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000019906115 590041756 /nfs/dbraw/zinc/04/17/56/590041756.db2.gz UAXDXHMWNNGXAO-GFCCVEGCSA-N 0 0 249.354 3.694 20 0 BHADRN CC(C)C[C@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000019906116 590041535 /nfs/dbraw/zinc/04/15/35/590041535.db2.gz 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CSc1ccc(NCc2ccc(O)cc2)cc1 ZINC000019906309 371199927 /nfs/dbraw/zinc/19/99/27/371199927.db2.gz ZKPOPBSYIKOGJU-UHFFFAOYSA-N 0 0 245.347 3.726 20 0 BHADRN CSc1ccc(NCc2ccc(C)o2)cc1 ZINC000019906341 356991736 /nfs/dbraw/zinc/99/17/36/356991736.db2.gz YAXYYUQKWIMCEP-UHFFFAOYSA-N 0 0 233.336 3.922 20 0 BHADRN CSc1ccc(N[C@@H](C)c2ccccn2)cc1 ZINC000019906379 188247466 /nfs/dbraw/zinc/24/74/66/188247466.db2.gz YQZGPJGSZROYMY-NSHDSACASA-N 0 0 244.363 3.977 20 0 BHADRN CSc1ccc(N[C@H](C)c2ccccn2)cc1 ZINC000019906380 356992220 /nfs/dbraw/zinc/99/22/20/356992220.db2.gz YQZGPJGSZROYMY-LLVKDONJSA-N 0 0 244.363 3.977 20 0 BHADRN CSc1ccc(N[C@@H](C)c2ccncc2)cc1 ZINC000019906381 187222480 /nfs/dbraw/zinc/22/24/80/187222480.db2.gz BKTOZKFOIBHACR-NSHDSACASA-N 0 0 244.363 3.977 20 0 BHADRN CSc1ccc(N[C@H](C)c2ccncc2)cc1 ZINC000019906382 356992306 /nfs/dbraw/zinc/99/23/06/356992306.db2.gz BKTOZKFOIBHACR-LLVKDONJSA-N 0 0 244.363 3.977 20 0 BHADRN CSc1ccc(N[C@@H](C)c2cccnc2)cc1 ZINC000019906383 187385458 /nfs/dbraw/zinc/38/54/58/187385458.db2.gz TWSHCGPKDMWPJS-NSHDSACASA-N 0 0 244.363 3.977 20 0 BHADRN CSc1ccc(N[C@H](C)c2cccnc2)cc1 ZINC000019906384 175577718 /nfs/dbraw/zinc/57/77/18/175577718.db2.gz TWSHCGPKDMWPJS-LLVKDONJSA-N 0 0 244.363 3.977 20 0 BHADRN CSc1ccc(N[C@@H](C)C2CC2)cc1 ZINC000019906396 490060113 /nfs/dbraw/zinc/06/01/13/490060113.db2.gz BQQOYJPMJVCHCS-VIFPVBQESA-N 0 0 207.342 3.619 20 0 BHADRN CSc1ccc(N[C@H](C)C2CC2)cc1 ZINC000019906397 342962680 /nfs/dbraw/zinc/96/26/80/342962680.db2.gz BQQOYJPMJVCHCS-SECBINFHSA-N 0 0 207.342 3.619 20 0 BHADRN CSc1ccc(NCc2cccc(O)c2)cc1 ZINC000019906467 387062318 /nfs/dbraw/zinc/06/23/18/387062318.db2.gz SUDYULYKMKTPFW-UHFFFAOYSA-N 0 0 245.347 3.726 20 0 BHADRN CCOc1ccc(OCC)c(NC2CCCC2)c1 ZINC000019906568 347314190 /nfs/dbraw/zinc/31/41/90/347314190.db2.gz SRUVKOYEKAJONW-UHFFFAOYSA-N 0 0 249.354 3.839 20 0 BHADRN CCOc1ccc(OCC)c(NCC(C)C)c1 ZINC000019906576 170555736 /nfs/dbraw/zinc/55/57/36/170555736.db2.gz DYUVPJZGZYSLAM-UHFFFAOYSA-N 0 0 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175003971 /nfs/dbraw/zinc/00/39/71/175003971.db2.gz NTSZWFKBJGUSLO-NWDGAFQWSA-N 0 0 249.354 3.694 20 0 BHADRN COc1cc(N[C@H]2CCC[C@H](C)C2)cc(OC)c1 ZINC000019909411 175004837 /nfs/dbraw/zinc/00/48/37/175004837.db2.gz NTSZWFKBJGUSLO-RYUDHWBXSA-N 0 0 249.354 3.694 20 0 BHADRN CCC(CC)CNc1cc(OC)cc(OC)c1 ZINC000019909436 168364949 /nfs/dbraw/zinc/36/49/49/168364949.db2.gz AUZYIIDAENQRCR-UHFFFAOYSA-N 0 0 237.343 3.552 20 0 BHADRN COc1cc(N[C@@H](C)CC(C)C)cc(OC)c1 ZINC000019909518 175003095 /nfs/dbraw/zinc/00/30/95/175003095.db2.gz KPSYKIBGTPUIHM-NSHDSACASA-N 0 0 237.343 3.550 20 0 BHADRN COc1cc(N[C@H](C)CC(C)C)cc(OC)c1 ZINC000019909521 175004165 /nfs/dbraw/zinc/00/41/65/175004165.db2.gz KPSYKIBGTPUIHM-LLVKDONJSA-N 0 0 237.343 3.550 20 0 BHADRN CCC(CC)CNc1cc(OC)ccc1OC ZINC000019910430 168364286 /nfs/dbraw/zinc/36/42/86/168364286.db2.gz XNWXJINVJLOUOE-UHFFFAOYSA-N 0 0 237.343 3.552 20 0 BHADRN COc1ccc(OC)c(NCC2CCCCC2)c1 ZINC000019910433 175167387 /nfs/dbraw/zinc/16/73/87/175167387.db2.gz 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OXSIXILRYLVSSA-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(C)cc1NCCc1ccccc1 ZINC000019914295 175078349 /nfs/dbraw/zinc/07/83/49/175078349.db2.gz XVRXCXNMRAVWQN-UHFFFAOYSA-N 0 0 241.334 3.658 20 0 BHADRN COc1ccc(C)cc1NCc1cccs1 ZINC000019914297 175078495 /nfs/dbraw/zinc/07/84/95/175078495.db2.gz KOCPPZRXKBZSNG-UHFFFAOYSA-N 0 0 233.336 3.677 20 0 BHADRN COc1ccc(C)cc1NCc1ccc(C)o1 ZINC000019914306 175078321 /nfs/dbraw/zinc/07/83/21/175078321.db2.gz OSPOKZGWVIJHLS-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN COc1ccc(C)cc1NCc1sccc1C ZINC000019914308 175078419 /nfs/dbraw/zinc/07/84/19/175078419.db2.gz IVJRCQDSMQZXKI-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1ccc(C)cc1NCc1ccsc1 ZINC000019914312 175078604 /nfs/dbraw/zinc/07/86/04/175078604.db2.gz IQXJKUOXFIUSBB-UHFFFAOYSA-N 0 0 233.336 3.677 20 0 BHADRN COc1ccc(C)cc1N[C@@H](C)c1ccccn1 ZINC000019914370 175078519 /nfs/dbraw/zinc/07/85/19/175078519.db2.gz MNBVCTAFCQWFDW-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(C)cc1N[C@H](C)c1ccccn1 ZINC000019914372 175078659 /nfs/dbraw/zinc/07/86/59/175078659.db2.gz MNBVCTAFCQWFDW-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(C)cc1N[C@@H](C)c1ccncc1 ZINC000019914374 175078230 /nfs/dbraw/zinc/07/82/30/175078230.db2.gz YYMIQAPJABZZBU-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(C)cc1N[C@H](C)c1ccncc1 ZINC000019914376 175078591 /nfs/dbraw/zinc/07/85/91/175078591.db2.gz YYMIQAPJABZZBU-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(C)cc1N[C@@H](C)c1cccnc1 ZINC000019914378 175078288 /nfs/dbraw/zinc/07/82/88/175078288.db2.gz OADFDUJNICXAJU-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(C)cc1N[C@H](C)c1cccnc1 ZINC000019914380 175078706 /nfs/dbraw/zinc/07/87/06/175078706.db2.gz OADFDUJNICXAJU-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(C)cc1N[C@@H](C)c1ccco1 ZINC000019914406 175078610 /nfs/dbraw/zinc/07/86/10/175078610.db2.gz XRQSKMNRKKZLFT-NSHDSACASA-N 0 0 231.295 3.770 20 0 BHADRN COc1ccc(C)cc1N[C@H](C)c1ccco1 ZINC000019914408 175078331 /nfs/dbraw/zinc/07/83/31/175078331.db2.gz XRQSKMNRKKZLFT-LLVKDONJSA-N 0 0 231.295 3.770 20 0 BHADRN COc1ccc(C)cc1NCc1ccccc1F ZINC000019914549 175078388 /nfs/dbraw/zinc/07/83/88/175078388.db2.gz BLJBJBRVTQOQCU-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(C)cc1NCc1ccccc1 ZINC000019914551 175078666 /nfs/dbraw/zinc/07/86/66/175078666.db2.gz GGDNLFWRWSUXCA-UHFFFAOYSA-N 0 0 227.307 3.616 20 0 BHADRN c1cc2c(cc1NC1CCCCCC1)OCCO2 ZINC000019916030 183369628 /nfs/dbraw/zinc/36/96/28/183369628.db2.gz XLTFMPFPVDGDTQ-UHFFFAOYSA-N 0 0 247.338 3.593 20 0 BHADRN CC(=O)Nc1cccc(NC2CCC(C)CC2)c1 ZINC000019917049 384559982 /nfs/dbraw/zinc/55/99/82/384559982.db2.gz WBQAFDRESWJERQ-UHFFFAOYSA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(NC2CCCCCC2)c1 ZINC000019917050 384561028 /nfs/dbraw/zinc/56/10/28/384561028.db2.gz QZXKGOHELOEOOC-UHFFFAOYSA-N 0 0 246.354 3.780 20 0 BHADRN CC(=O)Nc1cccc(N[C@H]2CCCC[C@H]2C)c1 ZINC000019917069 219815318 /nfs/dbraw/zinc/81/53/18/219815318.db2.gz YOCULQSJPDVIBT-ABAIWWIYSA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@H]2CCCC[C@@H]2C)c1 ZINC000019917071 384559238 /nfs/dbraw/zinc/55/92/38/384559238.db2.gz YOCULQSJPDVIBT-NHYWBVRUSA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H]2CCCC[C@H]2C)c1 ZINC000019917073 342963088 /nfs/dbraw/zinc/96/30/88/342963088.db2.gz YOCULQSJPDVIBT-IAQYHMDHSA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H]2CCCC[C@@H]2C)c1 ZINC000019917075 342963281 /nfs/dbraw/zinc/96/32/81/342963281.db2.gz YOCULQSJPDVIBT-XHDPSFHLSA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000019917077 187253441 /nfs/dbraw/zinc/25/34/41/187253441.db2.gz AQDCKOASXJDBKU-DGCLKSJQSA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H]2CCC[C@H](C)C2)c1 ZINC000019917079 384558353 /nfs/dbraw/zinc/55/83/53/384558353.db2.gz AQDCKOASXJDBKU-WCQYABFASA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@H]2CCC[C@@H](C)C2)c1 ZINC000019917081 187590049 /nfs/dbraw/zinc/59/00/49/187590049.db2.gz AQDCKOASXJDBKU-YPMHNXCESA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@H]2CCC[C@H](C)C2)c1 ZINC000019917083 342963240 /nfs/dbraw/zinc/96/32/40/342963240.db2.gz AQDCKOASXJDBKU-AAEUAGOBSA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(NCC2CCCCC2)c1 ZINC000019917114 187589947 /nfs/dbraw/zinc/58/99/47/187589947.db2.gz AEQRIPVMZRRUQM-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CC(=O)Nc1cccc(N[C@H](C)CCC(C)C)c1 ZINC000019917369 384559014 /nfs/dbraw/zinc/55/90/14/384559014.db2.gz NWGFYBYLRDDCQP-GFCCVEGCSA-N 0 0 248.370 3.882 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H](C)CCC(C)C)c1 ZINC000019917371 384559055 /nfs/dbraw/zinc/55/90/55/384559055.db2.gz NWGFYBYLRDDCQP-LBPRGKRZSA-N 0 0 248.370 3.882 20 0 BHADRN COc1cccc(CNc2ccc(F)c(F)c2)c1 ZINC000019918073 175268572 /nfs/dbraw/zinc/26/85/72/175268572.db2.gz WFOHUXMYCHNFTH-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN Cc1ccccc1CNc1ccc(F)c(F)c1 ZINC000019918081 179285462 /nfs/dbraw/zinc/28/54/62/179285462.db2.gz GGHCMGDCVQESTL-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1ccc(CNc2ccc(F)c(F)c2)cc1 ZINC000019918083 178637981 /nfs/dbraw/zinc/63/79/81/178637981.db2.gz ZDZAJISSIYJPQV-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1cccc(CNc2ccc(F)c(F)c2)c1 ZINC000019918087 259386049 /nfs/dbraw/zinc/38/60/49/259386049.db2.gz GFEVLLJVBPTIFF-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Fc1ccc(NCCc2ccccc2)cc1F ZINC000019918109 347317373 /nfs/dbraw/zinc/31/73/73/347317373.db2.gz QKRQWTUVKVSBAR-UHFFFAOYSA-N 0 0 233.261 3.619 20 0 BHADRN Cc1ccsc1CNc1ccc(F)c(F)c1 ZINC000019918121 179550303 /nfs/dbraw/zinc/55/03/03/179550303.db2.gz LWSKBBNZKWBZGC-UHFFFAOYSA-N 0 0 239.290 3.947 20 0 BHADRN Fc1ccc(NCc2ccsc2)cc1F ZINC000019918124 342963225 /nfs/dbraw/zinc/96/32/25/342963225.db2.gz AQFLPLGAXUBYHE-UHFFFAOYSA-N 0 0 225.263 3.638 20 0 BHADRN C[C@@H](Nc1ccc(F)c(F)c1)c1ccccn1 ZINC000019918184 175930956 /nfs/dbraw/zinc/93/09/56/175930956.db2.gz SNKFSRLXASAOQI-SECBINFHSA-N 0 0 234.249 3.533 20 0 BHADRN C[C@H](Nc1ccc(F)c(F)c1)c1ccccn1 ZINC000019918186 176933124 /nfs/dbraw/zinc/93/31/24/176933124.db2.gz SNKFSRLXASAOQI-VIFPVBQESA-N 0 0 234.249 3.533 20 0 BHADRN C[C@@H](Nc1ccc(F)c(F)c1)c1ccncc1 ZINC000019918187 350851913 /nfs/dbraw/zinc/85/19/13/350851913.db2.gz WOMIJUOCJGEFOI-SECBINFHSA-N 0 0 234.249 3.533 20 0 BHADRN C[C@H](Nc1ccc(F)c(F)c1)c1ccncc1 ZINC000019918189 350852086 /nfs/dbraw/zinc/85/20/86/350852086.db2.gz WOMIJUOCJGEFOI-VIFPVBQESA-N 0 0 234.249 3.533 20 0 BHADRN C[C@@H](Nc1ccc(F)c(F)c1)c1cccnc1 ZINC000019918190 175930551 /nfs/dbraw/zinc/93/05/51/175930551.db2.gz APRGKKXDIUKOHY-SECBINFHSA-N 0 0 234.249 3.533 20 0 BHADRN C[C@H](Nc1ccc(F)c(F)c1)c1cccnc1 ZINC000019918192 350851961 /nfs/dbraw/zinc/85/19/61/350851961.db2.gz APRGKKXDIUKOHY-VIFPVBQESA-N 0 0 234.249 3.533 20 0 BHADRN C[C@@H](Nc1ccc(F)c(F)c1)c1ccco1 ZINC000019918215 342963271 /nfs/dbraw/zinc/96/32/71/342963271.db2.gz VNNGNPODDOHGHN-MRVPVSSYSA-N 0 0 223.222 3.731 20 0 BHADRN C[C@H](Nc1ccc(F)c(F)c1)c1ccco1 ZINC000019918217 350851799 /nfs/dbraw/zinc/85/17/99/350851799.db2.gz VNNGNPODDOHGHN-QMMMGPOBSA-N 0 0 223.222 3.731 20 0 BHADRN C[C@@H](Nc1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000019918293 347317346 /nfs/dbraw/zinc/31/73/46/347317346.db2.gz JYSUHAITKNKGBC-SECBINFHSA-N 0 0 249.260 3.844 20 0 BHADRN C[C@H](Nc1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000019918295 347317721 /nfs/dbraw/zinc/31/77/21/347317721.db2.gz JYSUHAITKNKGBC-VIFPVBQESA-N 0 0 249.260 3.844 20 0 BHADRN Fc1ccc(NCc2ccccc2)cc1F ZINC000019918396 347317693 /nfs/dbraw/zinc/31/76/93/347317693.db2.gz ZBWNJUTVRIREEA-UHFFFAOYSA-N 0 0 219.234 3.577 20 0 BHADRN Cc1ccc(CNc2ccc(C)c(C)c2)o1 ZINC000019920091 356992544 /nfs/dbraw/zinc/99/25/44/356992544.db2.gz YGAXJLZOESDHJD-UHFFFAOYSA-N 0 0 215.296 3.817 20 0 BHADRN Cc1ccc(NCc2ccsc2)cc1C ZINC000019920097 178765146 /nfs/dbraw/zinc/76/51/46/178765146.db2.gz RGZPSQPXPTXCSD-UHFFFAOYSA-N 0 0 217.337 3.977 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccccn2)cc1C ZINC000019920131 342963222 /nfs/dbraw/zinc/96/32/22/342963222.db2.gz JYVBREKCXVYPCP-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccccn2)cc1C ZINC000019920133 178770422 /nfs/dbraw/zinc/77/04/22/178770422.db2.gz JYVBREKCXVYPCP-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN Oc1ccc(CNc2cccc(Cl)c2)cc1 ZINC000019920282 183271956 /nfs/dbraw/zinc/27/19/56/183271956.db2.gz ZUGNTUSHERAXQH-UHFFFAOYSA-N 0 0 233.698 3.658 20 0 BHADRN COc1cccc(CNc2cccc(Cl)c2)c1 ZINC000019920294 175268697 /nfs/dbraw/zinc/26/86/97/175268697.db2.gz CRGGXWPMHMFBSB-UHFFFAOYSA-N 0 0 247.725 3.961 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)c1ccccn1 ZINC000019920360 356992713 /nfs/dbraw/zinc/99/27/13/356992713.db2.gz MTMXWVIPKQCXBI-SNVBAGLBSA-N 0 0 232.714 3.908 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)c1ccccn1 ZINC000019920362 176935329 /nfs/dbraw/zinc/93/53/29/176935329.db2.gz MTMXWVIPKQCXBI-JTQLQIEISA-N 0 0 232.714 3.908 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)c1cccnc1 ZINC000019920364 356992471 /nfs/dbraw/zinc/99/24/71/356992471.db2.gz GIOKPJPDTHHELU-SNVBAGLBSA-N 0 0 232.714 3.908 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)c1cccnc1 ZINC000019920366 356993651 /nfs/dbraw/zinc/99/36/51/356993651.db2.gz GIOKPJPDTHHELU-JTQLQIEISA-N 0 0 232.714 3.908 20 0 BHADRN Oc1cccc(CNc2cccc(Cl)c2)c1 ZINC000019920473 183291993 /nfs/dbraw/zinc/29/19/93/183291993.db2.gz YAYWLIPLFHTMDT-UHFFFAOYSA-N 0 0 233.698 3.658 20 0 BHADRN Fc1cccc(NCc2ccc(F)cc2F)c1 ZINC000019920542 181001788 /nfs/dbraw/zinc/00/17/88/181001788.db2.gz KVIIRKMYSSOKRS-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Cc1ccccc1CNc1cccc(F)c1 ZINC000019920557 179285738 /nfs/dbraw/zinc/28/57/38/179285738.db2.gz IELYZFKEUKNJQL-UHFFFAOYSA-N 0 0 215.271 3.746 20 0 BHADRN Cc1ccc(CNc2cccc(F)c2)cc1 ZINC000019920559 347317482 /nfs/dbraw/zinc/31/74/82/347317482.db2.gz DHNYQNXEKMHWBG-UHFFFAOYSA-N 0 0 215.271 3.746 20 0 BHADRN Cc1cccc(CNc2cccc(F)c2)c1 ZINC000019920568 384559728 /nfs/dbraw/zinc/55/97/28/384559728.db2.gz WJVFSQBIWNKAOX-UHFFFAOYSA-N 0 0 215.271 3.746 20 0 BHADRN Fc1cccc(NCc2c(F)cccc2F)c1 ZINC000019920570 181001676 /nfs/dbraw/zinc/00/16/76/181001676.db2.gz HVKUTSNYVSNABB-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Fc1cccc(NCc2ccc(F)c(F)c2)c1 ZINC000019920572 181002062 /nfs/dbraw/zinc/00/20/62/181002062.db2.gz SHSHIQHFLIZBOT-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Cc1ccsc1CNc1cccc(F)c1 ZINC000019920600 179550758 /nfs/dbraw/zinc/55/07/58/179550758.db2.gz BKZXGHXUEUKBDF-UHFFFAOYSA-N 0 0 221.300 3.808 20 0 BHADRN C[C@@H](Nc1cccc(F)c1)c1ccccc1 ZINC000019920646 347317722 /nfs/dbraw/zinc/31/77/22/347317722.db2.gz QEBLJWRZOKAUCT-LLVKDONJSA-N 0 0 215.271 3.999 20 0 BHADRN C[C@H](Nc1cccc(F)c1)c1ccccc1 ZINC000019920648 347317697 /nfs/dbraw/zinc/31/76/97/347317697.db2.gz QEBLJWRZOKAUCT-NSHDSACASA-N 0 0 215.271 3.999 20 0 BHADRN C[C@@H](Nc1cccc(F)c1)c1ccco1 ZINC000019920750 342963522 /nfs/dbraw/zinc/96/35/22/342963522.db2.gz ZEVFXAADTWYBAH-SECBINFHSA-N 0 0 205.232 3.592 20 0 BHADRN C[C@H](Nc1cccc(F)c1)c1ccco1 ZINC000019920753 176935563 /nfs/dbraw/zinc/93/55/63/176935563.db2.gz ZEVFXAADTWYBAH-VIFPVBQESA-N 0 0 205.232 3.592 20 0 BHADRN Fc1cccc(N[C@@H]2CCc3ccccc32)c1 ZINC000019920763 181001646 /nfs/dbraw/zinc/00/16/46/181001646.db2.gz YRKZDXNBARBQJJ-OAHLLOKOSA-N 0 0 227.282 3.925 20 0 BHADRN Fc1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000019920764 181003166 /nfs/dbraw/zinc/00/31/66/181003166.db2.gz YRKZDXNBARBQJJ-HNNXBMFYSA-N 0 0 227.282 3.925 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cccc(F)c2)o1 ZINC000019920766 386737410 /nfs/dbraw/zinc/73/74/10/386737410.db2.gz WSNYCDUJLFSAPE-SNVBAGLBSA-N 0 0 219.259 3.900 20 0 BHADRN Cc1ccc([C@H](C)Nc2cccc(F)c2)o1 ZINC000019920768 350853976 /nfs/dbraw/zinc/85/39/76/350853976.db2.gz WSNYCDUJLFSAPE-JTQLQIEISA-N 0 0 219.259 3.900 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)c1ccccn1 ZINC000019921112 356993460 /nfs/dbraw/zinc/99/34/60/356993460.db2.gz CZSKEQPLRFMXKR-SNVBAGLBSA-N 0 0 232.714 3.908 20 0 BHADRN C[C@H](Nc1ccc(Cl)cc1)c1ccccn1 ZINC000019921113 188248184 /nfs/dbraw/zinc/24/81/84/188248184.db2.gz CZSKEQPLRFMXKR-JTQLQIEISA-N 0 0 232.714 3.908 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)c1cccnc1 ZINC000019921116 356993468 /nfs/dbraw/zinc/99/34/68/356993468.db2.gz 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C[C@H](Nc1cccc(Br)c1)C1CC1 ZINC000019941763 518183636 /nfs/dbraw/zinc/18/36/36/518183636.db2.gz HAKIRUKWCUXCGC-QMMMGPOBSA-N 0 0 240.144 3.660 20 0 BHADRN Fc1ccc(NCc2ccc(F)cc2F)cc1 ZINC000019941961 347325075 /nfs/dbraw/zinc/32/50/75/347325075.db2.gz DHXGKWKTZMVZLA-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Fc1ccc(NCc2c(F)cccc2F)cc1 ZINC000019941987 347325042 /nfs/dbraw/zinc/32/50/42/347325042.db2.gz CPGCSQAXNBKHAP-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Fc1ccc(NCc2ccc(F)c(F)c2)cc1 ZINC000019941989 347325087 /nfs/dbraw/zinc/32/50/87/347325087.db2.gz PZPYPXTVVTYQPF-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Cc1ccsc1CNc1ccc(F)cc1 ZINC000019942009 347381523 /nfs/dbraw/zinc/38/15/23/347381523.db2.gz UXQZGXSIZDPIOF-UHFFFAOYSA-N 0 0 221.300 3.808 20 0 BHADRN C[C@@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000019942066 175930510 /nfs/dbraw/zinc/93/05/10/175930510.db2.gz NASFPNSCUMQAOD-LLVKDONJSA-N 0 0 215.271 3.999 20 0 BHADRN C[C@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000019942069 347325241 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179150574 /nfs/dbraw/zinc/15/05/74/179150574.db2.gz MQCCHLCJUWRGTE-UHFFFAOYSA-N 0 0 217.337 3.977 20 0 BHADRN CC[C@@H](Nc1ccc(OC)nc1)c1cccs1 ZINC000020085280 351898354 /nfs/dbraw/zinc/89/83/54/351898354.db2.gz QEADIQVBSIWDTG-LLVKDONJSA-N 0 0 248.351 3.715 20 0 BHADRN CC[C@H](Nc1ccc(OC)nc1)c1cccs1 ZINC000020085281 351898048 /nfs/dbraw/zinc/89/80/48/351898048.db2.gz QEADIQVBSIWDTG-NSHDSACASA-N 0 0 248.351 3.715 20 0 BHADRN Cc1ccc(CNc2ccccc2)s1 ZINC000020085396 351896270 /nfs/dbraw/zinc/89/62/70/351896270.db2.gz NWXILZWYCXJJQV-UHFFFAOYSA-N 0 0 203.310 3.669 20 0 BHADRN c1ccc(NCc2cccc3cccnc32)cc1 ZINC000020085399 385679318 /nfs/dbraw/zinc/67/93/18/385679318.db2.gz HNPLVSBPHGCVPI-UHFFFAOYSA-N 0 0 234.302 3.847 20 0 BHADRN Cc1nc([C@@H](C)NCc2ccccc2)c(C)s1 ZINC000020086649 180037264 /nfs/dbraw/zinc/03/72/64/180037264.db2.gz ORYBKLJSXDNHRY-SNVBAGLBSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1nc([C@H](C)NCc2ccccc2)c(C)s1 ZINC000020086651 180048589 /nfs/dbraw/zinc/04/85/89/180048589.db2.gz 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BHADRN CC[C@@H](C)[C@H](C)Nc1ccc(OC)c(OC)c1 ZINC000020088399 590073304 /nfs/dbraw/zinc/07/33/04/590073304.db2.gz WVLWBGKMZGUWMW-MNOVXSKESA-N 0 0 237.343 3.550 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc(OC)c(OC)c1 ZINC000020088401 590073346 /nfs/dbraw/zinc/07/33/46/590073346.db2.gz WVLWBGKMZGUWMW-QWRGUYRKSA-N 0 0 237.343 3.550 20 0 BHADRN COc1ccc(C)cc1NCc1ccc(C)s1 ZINC000020088903 175078582 /nfs/dbraw/zinc/07/85/82/175078582.db2.gz HWMDTOVQBIUIKJ-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN Cc1ccc(CNc2ccc(F)c(F)c2)s1 ZINC000020089460 347350808 /nfs/dbraw/zinc/35/08/08/347350808.db2.gz ZBTBQAZAXXMTSP-UHFFFAOYSA-N 0 0 239.290 3.947 20 0 BHADRN Cc1ccc(CNc2cccc(F)c2)s1 ZINC000020089934 178640429 /nfs/dbraw/zinc/64/04/29/178640429.db2.gz FTIZRBGWZMTYCI-UHFFFAOYSA-N 0 0 221.300 3.808 20 0 BHADRN Cc1ccc(CNc2ccc(F)cc2)s1 ZINC000020090434 342968845 /nfs/dbraw/zinc/96/88/45/342968845.db2.gz SCPAYUFHMSCOJU-UHFFFAOYSA-N 0 0 221.300 3.808 20 0 BHADRN Cc1ccc(CNc2ccccc2F)s1 ZINC000020090666 342968718 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0 0 246.354 3.636 20 0 BHADRN Cc1cc(Cl)ccc1NCc1ccc(O)cc1 ZINC000020095152 538930785 /nfs/dbraw/zinc/93/07/85/538930785.db2.gz CPSLCPLCQYWNML-UHFFFAOYSA-N 0 0 247.725 3.966 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H]1CCSC1 ZINC000020095160 178068787 /nfs/dbraw/zinc/06/87/87/178068787.db2.gz GCKCLNGZPVHIPW-SNVBAGLBSA-N 0 0 227.760 3.566 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H]1CCSC1 ZINC000020095161 178069131 /nfs/dbraw/zinc/06/91/31/178069131.db2.gz GCKCLNGZPVHIPW-JTQLQIEISA-N 0 0 227.760 3.566 20 0 BHADRN Cc1cc(Cl)ccc1NCc1cccnc1 ZINC000020095162 187222798 /nfs/dbraw/zinc/22/27/98/187222798.db2.gz NBMWZJHAORNCEI-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1cc(Cl)ccc1NCc1ccncc1 ZINC000020095165 259388011 /nfs/dbraw/zinc/38/80/11/259388011.db2.gz WQOABYUWDNYNAN-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1cc(Cl)ccc1NCc1cccc(O)c1 ZINC000020095204 259388348 /nfs/dbraw/zinc/38/83/48/259388348.db2.gz RTRDSGZREQJXTP-UHFFFAOYSA-N 0 0 247.725 3.966 20 0 BHADRN Cc1cc(Cl)ccc1NCc1ccccn1 ZINC000020095208 342969211 /nfs/dbraw/zinc/96/92/11/342969211.db2.gz ZHNUIJPAAZKENE-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN FC(F)Oc1ccc(NC2CCCC2)cc1 ZINC000020096022 590073649 /nfs/dbraw/zinc/07/36/49/590073649.db2.gz KHQCJQGUJBOYRT-UHFFFAOYSA-N 0 0 227.254 3.643 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(OC(F)F)cc1 ZINC000020096140 590073986 /nfs/dbraw/zinc/07/39/86/590073986.db2.gz LPEUMZUVKNSDTD-SECBINFHSA-N 0 0 229.270 3.744 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(OC(F)F)cc1 ZINC000020096142 590073880 /nfs/dbraw/zinc/07/38/80/590073880.db2.gz LPEUMZUVKNSDTD-VIFPVBQESA-N 0 0 229.270 3.744 20 0 BHADRN CCCCNc1ccc(OC(F)F)cc1 ZINC000020096179 633809267 /nfs/dbraw/zinc/80/92/67/633809267.db2.gz XFKISVFQNSEGHH-UHFFFAOYSA-N 0 0 215.243 3.500 20 0 BHADRN FC(F)Oc1ccc(NCc2ccccc2)cc1 ZINC000020096185 590074175 /nfs/dbraw/zinc/07/41/75/590074175.db2.gz DDXDEOLCRXNRLO-UHFFFAOYSA-N 0 0 249.260 3.900 20 0 BHADRN FC(F)Oc1ccccc1NC1CCCC1 ZINC000020096242 259388371 /nfs/dbraw/zinc/38/83/71/259388371.db2.gz JQFSSRIWXKEWTR-UHFFFAOYSA-N 0 0 227.254 3.643 20 0 BHADRN CC(C)[C@@H](C)Nc1ccccc1OC(F)F ZINC000020096351 259388232 /nfs/dbraw/zinc/38/82/32/259388232.db2.gz CEFYMJYRYDBUFD-SECBINFHSA-N 0 0 229.270 3.744 20 0 BHADRN CC(C)[C@H](C)Nc1ccccc1OC(F)F ZINC000020096353 259388108 /nfs/dbraw/zinc/38/81/08/259388108.db2.gz CEFYMJYRYDBUFD-VIFPVBQESA-N 0 0 229.270 3.744 20 0 BHADRN CCCCNc1ccccc1OC(F)F ZINC000020096391 385415444 /nfs/dbraw/zinc/41/54/44/385415444.db2.gz BYPOZSDRHAGZGB-UHFFFAOYSA-N 0 0 215.243 3.500 20 0 BHADRN FC(F)Oc1ccccc1NCc1ccccc1 ZINC000020096397 180908657 /nfs/dbraw/zinc/90/86/57/180908657.db2.gz VTXSXDDKJPGWNH-UHFFFAOYSA-N 0 0 249.260 3.900 20 0 BHADRN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccco1 ZINC000020096812 175345607 /nfs/dbraw/zinc/34/56/07/175345607.db2.gz IXWWMJBODSOCOZ-NEPJUHHUSA-N 0 0 245.322 3.700 20 0 BHADRN COc1ccccc1[C@H](C)N[C@@H](C)c1ccco1 ZINC000020096814 175351944 /nfs/dbraw/zinc/35/19/44/175351944.db2.gz IXWWMJBODSOCOZ-RYUDHWBXSA-N 0 0 245.322 3.700 20 0 BHADRN COc1ccccc1[C@@H](C)N[C@H](C)c1ccco1 ZINC000020096815 175345618 /nfs/dbraw/zinc/34/56/18/175345618.db2.gz IXWWMJBODSOCOZ-VXGBXAGGSA-N 0 0 245.322 3.700 20 0 BHADRN COc1ccccc1[C@H](C)N[C@H](C)c1ccco1 ZINC000020096817 175352563 /nfs/dbraw/zinc/35/25/63/175352563.db2.gz IXWWMJBODSOCOZ-NWDGAFQWSA-N 0 0 245.322 3.700 20 0 BHADRN CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000020122916 259395755 /nfs/dbraw/zinc/39/57/55/259395755.db2.gz ZUBHACBJKHULHF-NEPJUHHUSA-N 0 0 209.333 3.755 20 0 BHADRN CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000020122917 259395597 /nfs/dbraw/zinc/39/55/97/259395597.db2.gz ZUBHACBJKHULHF-RYUDHWBXSA-N 0 0 209.333 3.755 20 0 BHADRN CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000020122918 259395644 /nfs/dbraw/zinc/39/56/44/259395644.db2.gz ZUBHACBJKHULHF-VXGBXAGGSA-N 0 0 209.333 3.755 20 0 BHADRN CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000020122919 259395682 /nfs/dbraw/zinc/39/56/82/259395682.db2.gz ZUBHACBJKHULHF-NWDGAFQWSA-N 0 0 209.333 3.755 20 0 BHADRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000020123316 384579617 /nfs/dbraw/zinc/57/96/17/384579617.db2.gz AWKCNTOOIDEAMU-KGLIPLIRSA-N 0 0 240.350 3.802 20 0 BHADRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000020123317 384578412 /nfs/dbraw/zinc/57/84/12/384578412.db2.gz AWKCNTOOIDEAMU-KBPBESRZSA-N 0 0 240.350 3.802 20 0 BHADRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccn2)cc1 ZINC000020123318 384579070 /nfs/dbraw/zinc/57/90/70/384579070.db2.gz AWKCNTOOIDEAMU-ZIAGYGMSSA-N 0 0 240.350 3.802 20 0 BHADRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccn2)cc1 ZINC000020123319 384578346 /nfs/dbraw/zinc/57/83/46/384578346.db2.gz AWKCNTOOIDEAMU-UONOGXRCSA-N 0 0 240.350 3.802 20 0 BHADRN C[C@H]([NH2+][C@@H](C)c1ccccn1)c1cccs1 ZINC000020123364 384576799 /nfs/dbraw/zinc/57/67/99/384576799.db2.gz IMJUOGQTARJTHP-QWRGUYRKSA-N 0 0 232.352 3.555 20 0 BHADRN C[C@@H](N[C@@H](C)c1ccccc1F)c1ccccn1 ZINC000020123373 342970249 /nfs/dbraw/zinc/97/02/49/342970249.db2.gz VULMAAKATRUJRM-NWDGAFQWSA-N 0 0 244.313 3.633 20 0 BHADRN C[C@@H](N[C@H](C)c1ccccc1F)c1ccccn1 ZINC000020123375 342970226 /nfs/dbraw/zinc/97/02/26/342970226.db2.gz VULMAAKATRUJRM-VXGBXAGGSA-N 0 0 244.313 3.633 20 0 BHADRN C[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1F ZINC000020123376 342970246 /nfs/dbraw/zinc/97/02/46/342970246.db2.gz VULMAAKATRUJRM-NEPJUHHUSA-N 0 0 244.313 3.633 20 0 BHADRN C[C@H]([NH2+][C@@H](C)c1ccccn1)c1cccc(F)c1 ZINC000020123682 384578830 /nfs/dbraw/zinc/57/88/30/384578830.db2.gz KAUIIRYCWPQPHA-RYUDHWBXSA-N 0 0 244.313 3.633 20 0 BHADRN CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000020123701 384579405 /nfs/dbraw/zinc/57/94/05/384579405.db2.gz AQWPZKJPNCZKDL-OLZOCXBDSA-N 0 0 220.360 3.557 20 0 BHADRN CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000020123704 384578312 /nfs/dbraw/zinc/57/83/12/384578312.db2.gz AQWPZKJPNCZKDL-CHWSQXEVSA-N 0 0 220.360 3.557 20 0 BHADRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccn2)s1 ZINC000020123738 384577164 /nfs/dbraw/zinc/57/71/64/384577164.db2.gz ABEGCTPVWORCJF-NEPJUHHUSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccn2)s1 ZINC000020123739 384578397 /nfs/dbraw/zinc/57/83/97/384578397.db2.gz ABEGCTPVWORCJF-RYUDHWBXSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccn2)s1 ZINC000020123740 384578364 /nfs/dbraw/zinc/57/83/64/384578364.db2.gz ABEGCTPVWORCJF-VXGBXAGGSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)s1 ZINC000020123741 384579275 /nfs/dbraw/zinc/57/92/75/384579275.db2.gz ABEGCTPVWORCJF-NWDGAFQWSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000020126172 179339316 /nfs/dbraw/zinc/33/93/16/179339316.db2.gz MQJWVTONIASUGQ-UONOGXRCSA-N 0 0 240.350 3.802 20 0 BHADRN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000020126176 179338414 /nfs/dbraw/zinc/33/84/14/179338414.db2.gz LJPLFHBALFWYET-KGLIPLIRSA-N 0 0 240.350 3.802 20 0 BHADRN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000020126180 179338274 /nfs/dbraw/zinc/33/82/74/179338274.db2.gz NSKVQTUVISSDSY-KGLIPLIRSA-N 0 0 240.350 3.802 20 0 BHADRN CCC(CC)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000020130506 168394521 /nfs/dbraw/zinc/39/45/21/168394521.db2.gz OWBOUEXMODDPFB-UHFFFAOYSA-N 0 0 246.354 3.636 20 0 BHADRN CCCCCNc1ccc(NC(=O)C2CC2)cc1 ZINC000020130616 168721953 /nfs/dbraw/zinc/72/19/53/168721953.db2.gz IGTHHCJDLGZFCG-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN Cc1cccc(CNCc2c(F)cccc2F)c1 ZINC000020133881 179093311 /nfs/dbraw/zinc/09/33/11/179093311.db2.gz JUQBBDJCNFBGPH-UHFFFAOYSA-N 0 0 247.288 3.563 20 0 BHADRN Cc1nn(C)c(C)c1NC1CCCCCCC1 ZINC000020134646 590076934 /nfs/dbraw/zinc/07/69/34/590076934.db2.gz GZGLHYOPFDEOIZ-UHFFFAOYSA-N 0 0 235.375 3.562 20 0 BHADRN Cc1nn(C)c(C)c1N[C@H](C)c1ccc(C)cc1 ZINC000020134838 384582993 /nfs/dbraw/zinc/58/29/93/384582993.db2.gz OEMPBVHKMCLKOE-LLVKDONJSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(C)cc1 ZINC000020134841 342971126 /nfs/dbraw/zinc/97/11/26/342971126.db2.gz OEMPBVHKMCLKOE-NSHDSACASA-N 0 0 243.354 3.518 20 0 BHADRN CC[C@@H](Nc1c(C)nn(C)c1C)c1ccccc1 ZINC000020134844 342971021 /nfs/dbraw/zinc/97/10/21/342971021.db2.gz UMRYUXYQUCSMBR-CQSZACIVSA-N 0 0 243.354 3.600 20 0 BHADRN CC[C@H](Nc1c(C)nn(C)c1C)c1ccccc1 ZINC000020134847 342971121 /nfs/dbraw/zinc/97/11/21/342971121.db2.gz UMRYUXYQUCSMBR-AWEZNQCLSA-N 0 0 243.354 3.600 20 0 BHADRN Cc1nn(C)c(C)c1N[C@H](C)c1ccccc1C ZINC000020135206 179323343 /nfs/dbraw/zinc/32/33/43/179323343.db2.gz NQLPAPCHHLCNJZ-LLVKDONJSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1nn(C)c(C)c1N[C@@H](C)c1ccccc1C ZINC000020135208 179340974 /nfs/dbraw/zinc/34/09/74/179340974.db2.gz NQLPAPCHHLCNJZ-NSHDSACASA-N 0 0 243.354 3.518 20 0 BHADRN Cc1ccc([C@@H](C)Nc2c(C)nn(C)c2C)s1 ZINC000020135569 384583603 /nfs/dbraw/zinc/58/36/03/384583603.db2.gz SBTQKXGYMDJUFW-SECBINFHSA-N 0 0 249.383 3.580 20 0 BHADRN Cc1ccc([C@H](C)Nc2c(C)nn(C)c2C)s1 ZINC000020135573 384580492 /nfs/dbraw/zinc/58/04/92/384580492.db2.gz SBTQKXGYMDJUFW-VIFPVBQESA-N 0 0 249.383 3.580 20 0 BHADRN CC[C@@H](Nc1c(C)nn(C)c1C)c1cccs1 ZINC000020135818 351980011 /nfs/dbraw/zinc/98/00/11/351980011.db2.gz ZRSGZIDTBMLENQ-LLVKDONJSA-N 0 0 249.383 3.662 20 0 BHADRN CC[C@H](Nc1c(C)nn(C)c1C)c1cccs1 ZINC000020135822 351979968 /nfs/dbraw/zinc/97/99/68/351979968.db2.gz ZRSGZIDTBMLENQ-NSHDSACASA-N 0 0 249.383 3.662 20 0 BHADRN CC(C)c1cccc(N[C@@H]2CCSC2)c1 ZINC000020136467 167633306 /nfs/dbraw/zinc/63/33/06/167633306.db2.gz KTZOYSHKRPFJTN-CYBMUJFWSA-N 0 0 221.369 3.727 20 0 BHADRN CC(C)c1cccc(N[C@H]2CCSC2)c1 ZINC000020136470 167632887 /nfs/dbraw/zinc/63/28/87/167632887.db2.gz KTZOYSHKRPFJTN-ZDUSSCGKSA-N 0 0 221.369 3.727 20 0 BHADRN CC(C)c1cccc(NCc2cccnc2)c1 ZINC000020136474 167633005 /nfs/dbraw/zinc/63/30/05/167633005.db2.gz BCTXIZYRCFXTRN-UHFFFAOYSA-N 0 0 226.323 3.817 20 0 BHADRN CCCc1ccc(N[C@@H]2CCSC2)cc1 ZINC000020136640 169572775 /nfs/dbraw/zinc/57/27/75/169572775.db2.gz INJAWVKFKYVLJJ-CYBMUJFWSA-N 0 0 221.369 3.557 20 0 BHADRN CCCc1ccc(N[C@H]2CCSC2)cc1 ZINC000020136643 342971264 /nfs/dbraw/zinc/97/12/64/342971264.db2.gz INJAWVKFKYVLJJ-ZDUSSCGKSA-N 0 0 221.369 3.557 20 0 BHADRN CCCc1ccc(NCc2cccnc2)cc1 ZINC000020136646 583613700 /nfs/dbraw/zinc/61/37/00/583613700.db2.gz LLQCVEQVIJYQKZ-UHFFFAOYSA-N 0 0 226.323 3.646 20 0 BHADRN CCCc1ccc(NCc2ccco2)cc1 ZINC000020136653 643056827 /nfs/dbraw/zinc/05/68/27/643056827.db2.gz DBOPAAFWBOXJLQ-UHFFFAOYSA-N 0 0 215.296 3.844 20 0 BHADRN CCCc1ccc(NCc2ccncc2)cc1 ZINC000020136656 590077725 /nfs/dbraw/zinc/07/77/25/590077725.db2.gz KDLKMXVBWHXEPV-UHFFFAOYSA-N 0 0 226.323 3.646 20 0 BHADRN CCCc1ccc(NCc2cccc(O)c2)cc1 ZINC000020136747 590077207 /nfs/dbraw/zinc/07/72/07/590077207.db2.gz NFAVYCFCFXCRTR-UHFFFAOYSA-N 0 0 241.334 3.957 20 0 BHADRN CCCc1ccc(NCc2ccccn2)cc1 ZINC000020136755 643056407 /nfs/dbraw/zinc/05/64/07/643056407.db2.gz DHZGFBKHJIBSOR-UHFFFAOYSA-N 0 0 226.323 3.646 20 0 BHADRN Cc1nc2cc(NCc3cccs3)ccc2o1 ZINC000020143950 259389755 /nfs/dbraw/zinc/38/97/55/259389755.db2.gz YLNSHUWIKWGSPQ-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN Cc1ccc(CNc2ccc3oc(C)nc3c2)o1 ZINC000020143958 178638089 /nfs/dbraw/zinc/63/80/89/178638089.db2.gz KDHRSYVNEPAFAI-UHFFFAOYSA-N 0 0 242.278 3.650 20 0 BHADRN Cc1nc2cc(NCc3ccsc3)ccc2o1 ZINC000020143966 180084462 /nfs/dbraw/zinc/08/44/62/180084462.db2.gz QIWPOUDJFBKNNC-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN CCC(CC)Nc1ccc2oc(C)nc2c1 ZINC000020144043 259389853 /nfs/dbraw/zinc/38/98/53/259389853.db2.gz ICWFFIROOUPUIG-UHFFFAOYSA-N 0 0 218.300 3.737 20 0 BHADRN Cc1nc2cc(N[C@H](C)C(C)C)ccc2o1 ZINC000020144083 259389683 /nfs/dbraw/zinc/38/96/83/259389683.db2.gz LWVVPHQXLHMFAO-SECBINFHSA-N 0 0 218.300 3.593 20 0 BHADRN Cc1nc2cc(N[C@@H](C)C(C)C)ccc2o1 ZINC000020144085 259389602 /nfs/dbraw/zinc/38/96/02/259389602.db2.gz LWVVPHQXLHMFAO-VIFPVBQESA-N 0 0 218.300 3.593 20 0 BHADRN Cc1nc2cc(NCc3ccccc3)ccc2o1 ZINC000020144147 259389728 /nfs/dbraw/zinc/38/97/28/259389728.db2.gz HGQCWADDOIFAFC-UHFFFAOYSA-N 0 0 238.290 3.748 20 0 BHADRN Cc1nc2cc(NC3CCCCC3)ccc2o1 ZINC000020144155 180081682 /nfs/dbraw/zinc/08/16/82/180081682.db2.gz BSRXOKCNVKVHPK-UHFFFAOYSA-N 0 0 230.311 3.881 20 0 BHADRN CC[C@@H](C)CNc1ccc2oc(C)nc2c1 ZINC000020144189 170710401 /nfs/dbraw/zinc/71/04/01/170710401.db2.gz GFEZYKSPQKDRLZ-SECBINFHSA-N 0 0 218.300 3.594 20 0 BHADRN CC[C@H](C)CNc1ccc2oc(C)nc2c1 ZINC000020144191 171289264 /nfs/dbraw/zinc/28/92/64/171289264.db2.gz GFEZYKSPQKDRLZ-VIFPVBQESA-N 0 0 218.300 3.594 20 0 BHADRN CCC(CC)CNc1cccc(-c2nnco2)c1 ZINC000020187208 168366780 /nfs/dbraw/zinc/36/67/80/168366780.db2.gz LULIDDHGNUWKPB-UHFFFAOYSA-N 0 0 245.326 3.585 20 0 BHADRN CC(C)C[C@@H](C)Nc1cccc(-c2nnco2)c1 ZINC000020187254 384589146 /nfs/dbraw/zinc/58/91/46/384589146.db2.gz RBTOBQHVZWAZGH-LLVKDONJSA-N 0 0 245.326 3.583 20 0 BHADRN CC(C)C[C@H](C)Nc1cccc(-c2nnco2)c1 ZINC000020187256 342975273 /nfs/dbraw/zinc/97/52/73/342975273.db2.gz RBTOBQHVZWAZGH-NSHDSACASA-N 0 0 245.326 3.583 20 0 BHADRN CCC[C@@H](C)CNc1cccc(-c2nnco2)c1 ZINC000020187418 590082567 /nfs/dbraw/zinc/08/25/67/590082567.db2.gz AIJNMQUTDWIHQA-LLVKDONJSA-N 0 0 245.326 3.585 20 0 BHADRN CCC[C@H](C)CNc1cccc(-c2nnco2)c1 ZINC000020187420 590082290 /nfs/dbraw/zinc/08/22/90/590082290.db2.gz AIJNMQUTDWIHQA-NSHDSACASA-N 0 0 245.326 3.585 20 0 BHADRN CCN(Cc1cccc(N)c1)c1cccc(C)c1 ZINC000020191847 169912288 /nfs/dbraw/zinc/91/22/88/169912288.db2.gz IGVQVFJXXGMVBI-UHFFFAOYSA-N 0 0 240.350 3.604 20 0 BHADRN C[C@@H](N[C@@H]1CCCc2occc21)c1ccco1 ZINC000020204380 342976833 /nfs/dbraw/zinc/97/68/33/342976833.db2.gz RADXXXNEGHXASG-ZYHUDNBSSA-N 0 0 231.295 3.601 20 0 BHADRN C[C@H](N[C@@H]1CCCc2occc21)c1ccco1 ZINC000020204383 384600189 /nfs/dbraw/zinc/60/01/89/384600189.db2.gz RADXXXNEGHXASG-CMPLNLGQSA-N 0 0 231.295 3.601 20 0 BHADRN C[C@@H](N[C@H]1CCCc2occc21)c1ccco1 ZINC000020204385 342976795 /nfs/dbraw/zinc/97/67/95/342976795.db2.gz RADXXXNEGHXASG-PWSUYJOCSA-N 0 0 231.295 3.601 20 0 BHADRN C[C@H](N[C@H]1CCCc2occc21)c1ccco1 ZINC000020204388 342976712 /nfs/dbraw/zinc/97/67/12/342976712.db2.gz RADXXXNEGHXASG-JQWIXIFHSA-N 0 0 231.295 3.601 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H]2CCCc3occc32)o1 ZINC000020204423 384599508 /nfs/dbraw/zinc/59/95/08/384599508.db2.gz QTVUJLLFFPENFV-DGCLKSJQSA-N 0 0 245.322 3.909 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H]2CCCc3occc32)o1 ZINC000020204426 384599088 /nfs/dbraw/zinc/59/90/88/384599088.db2.gz QTVUJLLFFPENFV-WCQYABFASA-N 0 0 245.322 3.909 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H]2CCCc3occc32)o1 ZINC000020204427 384598913 /nfs/dbraw/zinc/59/89/13/384598913.db2.gz QTVUJLLFFPENFV-YPMHNXCESA-N 0 0 245.322 3.909 20 0 BHADRN Cc1ccc([C@H](C)N[C@H]2CCCc3occc32)o1 ZINC000020204429 384599988 /nfs/dbraw/zinc/59/99/88/384599988.db2.gz QTVUJLLFFPENFV-AAEUAGOBSA-N 0 0 245.322 3.909 20 0 BHADRN c1ccc(NCc2ccc3ncccc3c2)cc1 ZINC000020248056 387082320 /nfs/dbraw/zinc/08/23/20/387082320.db2.gz NTGQAQVFSXWJMA-UHFFFAOYSA-N 0 0 234.302 3.847 20 0 BHADRN Cc1noc(C)c1CNc1ccc(C)cc1C ZINC000020252790 178762245 /nfs/dbraw/zinc/76/22/45/178762245.db2.gz IQIPBHCDMRIJDU-UHFFFAOYSA-N 0 0 230.311 3.520 20 0 BHADRN Cc1nc(CNc2ccc(C)cc2C)cs1 ZINC000020252791 178766353 /nfs/dbraw/zinc/76/63/53/178766353.db2.gz SHBYOEBVFUHKJO-UHFFFAOYSA-N 0 0 232.352 3.680 20 0 BHADRN CSc1cccc(NCc2c(C)noc2C)c1 ZINC000020252826 175580773 /nfs/dbraw/zinc/58/07/73/175580773.db2.gz MXIDNBAPNXTNSE-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN CSc1ccc(NCc2c(C)noc2C)cc1 ZINC000020252896 187353842 /nfs/dbraw/zinc/35/38/42/187353842.db2.gz VCZYDGJMOBOIJR-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN Cc1nc(CNc2ccc3c(c2)CCC3)cs1 ZINC000020252971 357003186 /nfs/dbraw/zinc/00/31/86/357003186.db2.gz ZHCNXZXZFDIICJ-UHFFFAOYSA-N 0 0 244.363 3.552 20 0 BHADRN Cc1noc(C)c1CNc1ccc(C)c(C)c1 ZINC000020253007 342978618 /nfs/dbraw/zinc/97/86/18/342978618.db2.gz QWEHXHKIIKHFAG-UHFFFAOYSA-N 0 0 230.311 3.520 20 0 BHADRN Cc1nc(CNc2ccc(C)c(C)c2)cs1 ZINC000020253008 342978532 /nfs/dbraw/zinc/97/85/32/342978532.db2.gz CWJKNFIOURVFMN-UHFFFAOYSA-N 0 0 232.352 3.680 20 0 BHADRN Cc1noc(C)c1CNc1cccc(Cl)c1 ZINC000020253009 384607412 /nfs/dbraw/zinc/60/74/12/384607412.db2.gz BKYVMELVDZDYHQ-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1nc(CNc2cccc(Cl)c2)cs1 ZINC000020253010 179976363 /nfs/dbraw/zinc/97/63/63/179976363.db2.gz VESHVSHAQPDKSU-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1nc(CNc2ccc(Cl)cc2)cs1 ZINC000020253013 357931452 /nfs/dbraw/zinc/93/14/52/357931452.db2.gz KRYCZZQXDDRLFB-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1noc(C)c1CNc1ccccc1Cl ZINC000020253026 180475253 /nfs/dbraw/zinc/47/52/53/180475253.db2.gz PZBSTMVPTGUPCE-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1nc(CNc2ccccc2Cl)cs1 ZINC000020253027 347436757 /nfs/dbraw/zinc/43/67/57/347436757.db2.gz UOLBYZLVDGCRAM-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1noc(C)c1CNc1cc(C)cc(C)c1 ZINC000020253054 342978571 /nfs/dbraw/zinc/97/85/71/342978571.db2.gz IESPCEUAQAGOIQ-UHFFFAOYSA-N 0 0 230.311 3.520 20 0 BHADRN Cc1nc(CNc2cc(C)cc(C)c2)cs1 ZINC000020253055 342978490 /nfs/dbraw/zinc/97/84/90/342978490.db2.gz LGRSXANTZBWJRB-UHFFFAOYSA-N 0 0 232.352 3.680 20 0 BHADRN Cc1nc(CNc2cc(F)ccc2C)cs1 ZINC000020253057 179975077 /nfs/dbraw/zinc/97/50/77/179975077.db2.gz OTLOCTUFOJDUTI-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN CCc1ccc(NCc2csc(C)n2)cc1 ZINC000020253061 384606795 /nfs/dbraw/zinc/60/67/95/384606795.db2.gz YUWIAMFVJORDER-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN Cc1nc(CNc2ccc(C)c(F)c2)cs1 ZINC000020253063 179976070 /nfs/dbraw/zinc/97/60/70/179976070.db2.gz MYMHHXBOQMMHBA-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN CCc1ccccc1NCc1csc(C)n1 ZINC000020253065 384606746 /nfs/dbraw/zinc/60/67/46/384606746.db2.gz FGHLEIAVAHOSQU-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN Cc1nc(CNc2ccc(F)cc2C)cs1 ZINC000020253075 179977041 /nfs/dbraw/zinc/97/70/41/179977041.db2.gz LFYFDAIAOLVRPV-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN CCc1cccc(NCc2csc(C)n2)c1 ZINC000020253079 384606666 /nfs/dbraw/zinc/60/66/66/384606666.db2.gz NMLRJSMWZHFJGF-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN Cc1noc(C)c1CNc1cccc(C)c1C ZINC000020253098 179148721 /nfs/dbraw/zinc/14/87/21/179148721.db2.gz 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/nfs/dbraw/zinc/96/86/81/367968681.db2.gz MKOKNPXGOJFHKH-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000020465894 367968469 /nfs/dbraw/zinc/96/84/69/367968469.db2.gz MKOKNPXGOJFHKH-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000020465897 367970040 /nfs/dbraw/zinc/97/00/40/367970040.db2.gz MKOKNPXGOJFHKH-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020466084 367970224 /nfs/dbraw/zinc/97/02/24/367970224.db2.gz KKENKZKTVRBLLL-QWHCGFSZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000020466087 347423606 /nfs/dbraw/zinc/42/36/06/347423606.db2.gz KKENKZKTVRBLLL-STQMWFEESA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000020466090 347423973 /nfs/dbraw/zinc/42/39/73/347423973.db2.gz KKENKZKTVRBLLL-CHWSQXEVSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000020466093 367970026 /nfs/dbraw/zinc/97/00/26/367970026.db2.gz KKENKZKTVRBLLL-OLZOCXBDSA-N 0 0 239.403 3.754 20 0 BHADRN Cc1ccc(NCc2ccccn2)c(Cl)c1 ZINC000020471091 357009849 /nfs/dbraw/zinc/00/98/49/357009849.db2.gz WQBFSXGPZLFFIN-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1ccc(NCc2cccc(O)c2)c(Cl)c1 ZINC000020471129 178763876 /nfs/dbraw/zinc/76/38/76/178763876.db2.gz UTYSFDJPCIUIHO-UHFFFAOYSA-N 0 0 247.725 3.966 20 0 BHADRN Cc1ccc(N[C@H](C)C2CC2)c(Cl)c1 ZINC000020471249 342986303 /nfs/dbraw/zinc/98/63/03/342986303.db2.gz ADQOAQUWIOHWER-SECBINFHSA-N 0 0 209.720 3.859 20 0 BHADRN Cc1ccc(N[C@@H](C)C2CC2)c(Cl)c1 ZINC000020471250 342986411 /nfs/dbraw/zinc/98/64/11/342986411.db2.gz ADQOAQUWIOHWER-VIFPVBQESA-N 0 0 209.720 3.859 20 0 BHADRN Cc1ccc(NCc2ccc(O)cc2)c(Cl)c1 ZINC000020471352 538931906 /nfs/dbraw/zinc/93/19/06/538931906.db2.gz AIXRZKZXLXFXDL-UHFFFAOYSA-N 0 0 247.725 3.966 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)c2ccncc2)c1 ZINC000020471759 357009765 /nfs/dbraw/zinc/00/97/65/357009765.db2.gz RRMGLMCILDTVRQ-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)c2ccncc2)c1 ZINC000020471760 178676833 /nfs/dbraw/zinc/67/68/33/178676833.db2.gz RRMGLMCILDTVRQ-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)c2ccccn2)c1 ZINC000020471761 357009485 /nfs/dbraw/zinc/00/94/85/357009485.db2.gz IFBBGCJYHKKSIV-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)c2ccccn2)c1 ZINC000020471762 357009702 /nfs/dbraw/zinc/00/97/02/357009702.db2.gz IFBBGCJYHKKSIV-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN COc1ccc(CNc2cc(C)ccc2F)cc1 ZINC000020471853 175112740 /nfs/dbraw/zinc/11/27/40/175112740.db2.gz TVXRSMXDCCCMLM-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN CC(C)CNc1cccc(Cl)c1F ZINC000020472428 167016273 /nfs/dbraw/zinc/01/62/73/167016273.db2.gz UOWGZFCZQJXDRN-UHFFFAOYSA-N 0 0 201.672 3.547 20 0 BHADRN CCCCNc1ccc(OC(C)C)cc1 ZINC000020472807 711468361 /nfs/dbraw/zinc/46/83/61/711468361.db2.gz KAHCRXDXMYZLRH-UHFFFAOYSA-N 0 0 207.317 3.686 20 0 BHADRN CC(C)Oc1ccc(N[C@@H](C)C(C)C)cc1 ZINC000020472863 590115644 /nfs/dbraw/zinc/11/56/44/590115644.db2.gz MKLRVIWEXOYSFC-LBPRGKRZSA-N 0 0 221.344 3.930 20 0 BHADRN CC(C)Oc1ccc(N[C@H](C)C(C)C)cc1 ZINC000020472865 590115907 /nfs/dbraw/zinc/11/59/07/590115907.db2.gz MKLRVIWEXOYSFC-GFCCVEGCSA-N 0 0 221.344 3.930 20 0 BHADRN CC(C)Oc1ccc(NC2CCCC2)cc1 ZINC000020472978 590115772 /nfs/dbraw/zinc/11/57/72/590115772.db2.gz UYHCPPKERYPHRQ-UHFFFAOYSA-N 0 0 219.328 3.828 20 0 BHADRN CCc1ccc(C[NH2+]Cc2cccc(F)c2)s1 ZINC000020473582 397965636 /nfs/dbraw/zinc/96/56/36/397965636.db2.gz KIWPQRAFMPEOCS-UHFFFAOYSA-N 0 0 249.354 3.739 20 0 BHADRN Cc1cc(C)cc(C(=O)N2CCCCCCC2)c1 ZINC000020478615 643063919 /nfs/dbraw/zinc/06/39/19/643063919.db2.gz OLIOKXVUSBRPNI-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN CCCC[C@@H](CC)C(=O)Nc1cc(N)ccc1C ZINC000020481656 342987268 /nfs/dbraw/zinc/98/72/68/342987268.db2.gz OUPDEMIIYZTYOE-GFCCVEGCSA-N 0 0 248.370 3.732 20 0 BHADRN CCCC[C@H](CC)C(=O)Nc1cc(N)ccc1C ZINC000020481658 168994695 /nfs/dbraw/zinc/99/46/95/168994695.db2.gz OUPDEMIIYZTYOE-LBPRGKRZSA-N 0 0 248.370 3.732 20 0 BHADRN CCCC[C@@H](CC)C(=O)Nc1cccc(N)c1C ZINC000020481703 385216244 /nfs/dbraw/zinc/21/62/44/385216244.db2.gz SPACXDSDXPKDJS-GFCCVEGCSA-N 0 0 248.370 3.732 20 0 BHADRN CCCC[C@H](CC)C(=O)Nc1cccc(N)c1C ZINC000020481706 385214875 /nfs/dbraw/zinc/21/48/75/385214875.db2.gz SPACXDSDXPKDJS-LBPRGKRZSA-N 0 0 248.370 3.732 20 0 BHADRN CC(C)CSc1ccc(N)cc1Cl ZINC000020484052 383981911 /nfs/dbraw/zinc/98/19/11/383981911.db2.gz BWYPCZWLIDZACK-UHFFFAOYSA-N 0 0 215.749 3.670 20 0 BHADRN CCCCCCC(=O)N1CCCCCCC1 ZINC000020495760 590115946 /nfs/dbraw/zinc/11/59/46/590115946.db2.gz JZRJFXKQZREGQS-UHFFFAOYSA-N 0 0 225.376 3.750 20 0 BHADRN O=C(/C=C/c1cccs1)N1CCCCCCC1 ZINC000020496496 711976050 /nfs/dbraw/zinc/97/60/50/711976050.db2.gz IEHVQLZIKGHUPL-CMDGGOBGSA-N 0 0 249.379 3.554 20 0 BHADRN Cc1cc(C)c(C(=O)N[C@H](C)C(C)(C)C)c(C)c1 ZINC000020502863 357935857 /nfs/dbraw/zinc/93/58/57/357935857.db2.gz JNFSKMBJBQIWPA-CYBMUJFWSA-N 0 0 247.382 3.776 20 0 BHADRN CC(=O)c1ccc(OCCCC(C)C)cc1 ZINC000020516935 259398802 /nfs/dbraw/zinc/39/88/02/259398802.db2.gz CEIPBRDBOVBSDW-UHFFFAOYSA-N 0 0 220.312 3.704 20 0 BHADRN CC(=O)c1ccc(OCCCC(C)C)c(F)c1 ZINC000020516937 347441107 /nfs/dbraw/zinc/44/11/07/347441107.db2.gz DUZGOROQBVISBO-UHFFFAOYSA-N 0 0 238.302 3.843 20 0 BHADRN CCCCCCOc1ccc(F)cc1C(C)=O ZINC000020516947 711468406 /nfs/dbraw/zinc/46/84/06/711468406.db2.gz FOLSVNHXCDESDM-UHFFFAOYSA-N 0 0 238.302 3.987 20 0 BHADRN CCCCCCOc1ccc(C(C)=O)cc1F ZINC000020516948 590117510 /nfs/dbraw/zinc/11/75/10/590117510.db2.gz CJTNLRITLMZNLJ-UHFFFAOYSA-N 0 0 238.302 3.987 20 0 BHADRN CCCCCCOc1ccc(C=O)cc1F ZINC000020517203 590117691 /nfs/dbraw/zinc/11/76/91/590117691.db2.gz AMZMKVXJRQXLBI-UHFFFAOYSA-N 0 0 224.275 3.597 20 0 BHADRN CCCCCC[C@@H](C)Nc1cccc(C(N)=O)c1 ZINC000020520207 590117603 /nfs/dbraw/zinc/11/76/03/590117603.db2.gz HKAZVOQLLQOGFB-GFCCVEGCSA-N 0 0 248.370 3.556 20 0 BHADRN CCCCCC[C@H](C)Nc1cccc(C(N)=O)c1 ZINC000020520208 590117393 /nfs/dbraw/zinc/11/73/93/590117393.db2.gz HKAZVOQLLQOGFB-LBPRGKRZSA-N 0 0 248.370 3.556 20 0 BHADRN CCCCCC[C@@H](C)Nc1c(C)nn(C)c1C ZINC000020520269 590118001 /nfs/dbraw/zinc/11/80/01/590118001.db2.gz IFPZTMMULBQODQ-LLVKDONJSA-N 0 0 237.391 3.808 20 0 BHADRN CCCCCC[C@H](C)Nc1c(C)nn(C)c1C ZINC000020520270 590117845 /nfs/dbraw/zinc/11/78/45/590117845.db2.gz IFPZTMMULBQODQ-NSHDSACASA-N 0 0 237.391 3.808 20 0 BHADRN Clc1ccc(NC2CCCCCCC2)nn1 ZINC000020545523 590120492 /nfs/dbraw/zinc/12/04/92/590120492.db2.gz BONSPSQXBSJHQP-UHFFFAOYSA-N 0 0 239.750 3.655 20 0 BHADRN CC(C)CNc1ccnc2cc(Cl)ccc21 ZINC000020546165 259399568 /nfs/dbraw/zinc/39/95/68/259399568.db2.gz PUKHJZYNAVYPOF-UHFFFAOYSA-N 0 0 234.730 3.956 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1NCC(F)(F)F ZINC000020548074 259399630 /nfs/dbraw/zinc/39/96/30/259399630.db2.gz LCIWKEQXPOQPAD-ZJUUUORDSA-N 0 0 237.309 3.743 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@@H]1NCC(F)(F)F ZINC000020548075 259399573 /nfs/dbraw/zinc/39/95/73/259399573.db2.gz LCIWKEQXPOQPAD-UWVGGRQHSA-N 0 0 237.309 3.743 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1NCC(F)(F)F ZINC000020548076 259399395 /nfs/dbraw/zinc/39/93/95/259399395.db2.gz LCIWKEQXPOQPAD-NXEZZACHSA-N 0 0 237.309 3.743 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@H]1NCC(F)(F)F ZINC000020548077 259399351 /nfs/dbraw/zinc/39/93/51/259399351.db2.gz LCIWKEQXPOQPAD-VHSXEESVSA-N 0 0 237.309 3.743 20 0 BHADRN Fc1ccc(NC[C@H]2CC=CCC2)cc1 ZINC000020549776 180978193 /nfs/dbraw/zinc/97/81/93/180978193.db2.gz KAKBISVNYKQOBP-NSHDSACASA-N 0 0 205.276 3.594 20 0 BHADRN Fc1ccc(NC[C@@H]2CC=CCC2)cc1 ZINC000020549778 180977370 /nfs/dbraw/zinc/97/73/70/180977370.db2.gz KAKBISVNYKQOBP-LLVKDONJSA-N 0 0 205.276 3.594 20 0 BHADRN CCCCCNc1ccccc1OC(F)F ZINC000020550121 259399642 /nfs/dbraw/zinc/39/96/42/259399642.db2.gz VWAWZTMSVSZWKO-UHFFFAOYSA-N 0 0 229.270 3.890 20 0 BHADRN Cc1cc(F)ccc1NC[C@H]1CC=CCC1 ZINC000020551839 259399280 /nfs/dbraw/zinc/39/92/80/259399280.db2.gz CYKYHSBNZGLIGQ-LBPRGKRZSA-N 0 0 219.303 3.902 20 0 BHADRN Cc1cc(F)ccc1NC[C@@H]1CC=CCC1 ZINC000020551840 259399342 /nfs/dbraw/zinc/39/93/42/259399342.db2.gz CYKYHSBNZGLIGQ-GFCCVEGCSA-N 0 0 219.303 3.902 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cc(OC)cc(OC)c1 ZINC000020552200 259399414 /nfs/dbraw/zinc/39/94/14/259399414.db2.gz NEZYNLZZMTWSJM-GHMZBOCLSA-N 0 0 237.343 3.550 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cc(OC)cc(OC)c1 ZINC000020552201 259399469 /nfs/dbraw/zinc/39/94/69/259399469.db2.gz NEZYNLZZMTWSJM-WDEREUQCSA-N 0 0 237.343 3.550 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cc(OC)cc(OC)c1 ZINC000020552202 259399723 /nfs/dbraw/zinc/39/97/23/259399723.db2.gz NEZYNLZZMTWSJM-MNOVXSKESA-N 0 0 237.343 3.550 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cc(OC)cc(OC)c1 ZINC000020552203 259399333 /nfs/dbraw/zinc/39/93/33/259399333.db2.gz NEZYNLZZMTWSJM-QWRGUYRKSA-N 0 0 237.343 3.550 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000020552507 259399771 /nfs/dbraw/zinc/39/97/71/259399771.db2.gz DUVCAMALWUKWBT-KOLCDFICSA-N 0 0 224.735 3.726 20 0 BHADRN C[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000020552508 259399846 /nfs/dbraw/zinc/39/98/46/259399846.db2.gz DUVCAMALWUKWBT-ONGXEEELSA-N 0 0 224.735 3.726 20 0 BHADRN C[C@@H]1CCCC[C@H]1Nc1ccc(Cl)cn1 ZINC000020552509 259399367 /nfs/dbraw/zinc/39/93/67/259399367.db2.gz DUVCAMALWUKWBT-MWLCHTKSSA-N 0 0 224.735 3.726 20 0 BHADRN C[C@H]1CCCC[C@H]1Nc1ccc(Cl)cn1 ZINC000020552510 259399820 /nfs/dbraw/zinc/39/98/20/259399820.db2.gz DUVCAMALWUKWBT-GXSJLCMTSA-N 0 0 224.735 3.726 20 0 BHADRN CC(=O)c1cc(F)ccc1N1CCCCCCC1 ZINC000020552715 590120994 /nfs/dbraw/zinc/12/09/94/590120994.db2.gz OEVKCXDAZFNWEH-UHFFFAOYSA-N 0 0 249.329 3.799 20 0 BHADRN CCCCc1ccc(N[C@@H]2CCSC2)cc1 ZINC000020553538 259399410 /nfs/dbraw/zinc/39/94/10/259399410.db2.gz QQXZIATVTCYJDU-CQSZACIVSA-N 0 0 235.396 3.947 20 0 BHADRN CCCCc1ccc(N[C@H]2CCSC2)cc1 ZINC000020553539 259399680 /nfs/dbraw/zinc/39/96/80/259399680.db2.gz QQXZIATVTCYJDU-AWEZNQCLSA-N 0 0 235.396 3.947 20 0 BHADRN CCC(CC)Nc1ncccc1C(F)(F)F ZINC000020555364 168395515 /nfs/dbraw/zinc/39/55/15/168395515.db2.gz ZJZJPIAPMRRNBU-UHFFFAOYSA-N 0 0 232.249 3.701 20 0 BHADRN CC(C)CCNc1ccccc1OC(F)F ZINC000020558215 166870669 /nfs/dbraw/zinc/87/06/69/166870669.db2.gz YANKGOZMPLJLJK-UHFFFAOYSA-N 0 0 229.270 3.746 20 0 BHADRN CC(=O)c1cc(F)ccc1N1C[C@H](C)C[C@@H](C)C1 ZINC000020558311 132331837 /nfs/dbraw/zinc/33/18/37/132331837.db2.gz FCRJSIPPRSQHSY-GHMZBOCLSA-N 0 0 249.329 3.511 20 0 BHADRN CC(=O)c1cc(F)ccc1N1C[C@H](C)C[C@H](C)C1 ZINC000020558313 132331854 /nfs/dbraw/zinc/33/18/54/132331854.db2.gz FCRJSIPPRSQHSY-PHIMTYICSA-N 0 0 249.329 3.511 20 0 BHADRN CC(=O)c1cc(F)ccc1N1C[C@@H](C)C[C@H](C)C1 ZINC000020558316 132331772 /nfs/dbraw/zinc/33/17/72/132331772.db2.gz FCRJSIPPRSQHSY-QWRGUYRKSA-N 0 0 249.329 3.511 20 0 BHADRN CCC[C@@H](C)Nc1ccc2ccccc2n1 ZINC000020558326 398011526 /nfs/dbraw/zinc/01/15/26/398011526.db2.gz AZVDWWZOYFLVKZ-LLVKDONJSA-N 0 0 214.312 3.835 20 0 BHADRN CCC[C@H](C)Nc1ccc2ccccc2n1 ZINC000020558328 398011563 /nfs/dbraw/zinc/01/15/63/398011563.db2.gz AZVDWWZOYFLVKZ-NSHDSACASA-N 0 0 214.312 3.835 20 0 BHADRN CCCc1ccc(N[C@@H](C)C2CC2)cc1 ZINC000020558891 342990789 /nfs/dbraw/zinc/99/07/89/342990789.db2.gz LZNHLENEOSNORO-NSHDSACASA-N 0 0 203.329 3.850 20 0 BHADRN CCCc1ccc(N[C@H](C)C2CC2)cc1 ZINC000020558893 342990621 /nfs/dbraw/zinc/99/06/21/342990621.db2.gz LZNHLENEOSNORO-LLVKDONJSA-N 0 0 203.329 3.850 20 0 BHADRN CC[C@@H](C)CNc1ccc(OC(F)F)cc1 ZINC000020563410 590124027 /nfs/dbraw/zinc/12/40/27/590124027.db2.gz KZESDHOWUOLWRF-SECBINFHSA-N 0 0 229.270 3.746 20 0 BHADRN CC[C@H](C)CNc1ccc(OC(F)F)cc1 ZINC000020563413 590123816 /nfs/dbraw/zinc/12/38/16/590123816.db2.gz KZESDHOWUOLWRF-VIFPVBQESA-N 0 0 229.270 3.746 20 0 BHADRN Fc1ccc(NC[C@H]2CC=CCC2)cc1F ZINC000020566979 259308925 /nfs/dbraw/zinc/30/89/25/259308925.db2.gz LFMZBNHFTXKGIB-JTQLQIEISA-N 0 0 223.266 3.733 20 0 BHADRN Fc1ccc(NC[C@@H]2CC=CCC2)cc1F ZINC000020566981 385470653 /nfs/dbraw/zinc/47/06/53/385470653.db2.gz LFMZBNHFTXKGIB-SNVBAGLBSA-N 0 0 223.266 3.733 20 0 BHADRN Cc1ccc(NCc2ccc(Cl)cc2)nc1 ZINC000020567231 357013686 /nfs/dbraw/zinc/01/36/86/357013686.db2.gz WIOXWXGNLDDWIJ-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc(OC)cc1OC ZINC000020567352 590124499 /nfs/dbraw/zinc/12/44/99/590124499.db2.gz UBOGBXSVCSEISD-GHMZBOCLSA-N 0 0 237.343 3.550 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc(OC)cc1OC ZINC000020567354 590124174 /nfs/dbraw/zinc/12/41/74/590124174.db2.gz UBOGBXSVCSEISD-WDEREUQCSA-N 0 0 237.343 3.550 20 0 BHADRN CC(C)CNc1ccc(F)cc1Cl ZINC000020595189 167016827 /nfs/dbraw/zinc/01/68/27/167016827.db2.gz HKPNZSIMIGWYAO-UHFFFAOYSA-N 0 0 201.672 3.547 20 0 BHADRN Cc1ccc2[nH]c(SC/C=C/Cl)nc2c1 ZINC000020823593 590160065 /nfs/dbraw/zinc/16/00/65/590160065.db2.gz OYDZRPOAMBQBGU-GORDUTHDSA-N 0 0 238.743 3.716 20 0 BHADRN CCCC(CCC)C(=O)Nc1cc(C)ccn1 ZINC000021001354 259418772 /nfs/dbraw/zinc/41/87/72/259418772.db2.gz HGRPKPKMXOIWEY-UHFFFAOYSA-N 0 0 234.343 3.545 20 0 BHADRN COc1cccc(-c2nc3cc(C)ccc3[nH]2)c1 ZINC000021001600 175236509 /nfs/dbraw/zinc/23/65/09/175236509.db2.gz ATWXAYDHDVBRSI-UHFFFAOYSA-N 0 0 238.290 3.547 20 0 BHADRN CCC[C@@H](C)CNc1ccccc1OC ZINC000021007717 169361519 /nfs/dbraw/zinc/36/15/19/169361519.db2.gz HHDBBTHRYZDOGV-LLVKDONJSA-N 0 0 207.317 3.543 20 0 BHADRN CCC[C@H](C)CNc1ccccc1OC ZINC000021007719 384646915 /nfs/dbraw/zinc/64/69/15/384646915.db2.gz HHDBBTHRYZDOGV-NSHDSACASA-N 0 0 207.317 3.543 20 0 BHADRN CCCCNc1ccccc1N1CCCCC1 ZINC000021008987 535296216 /nfs/dbraw/zinc/29/62/16/535296216.db2.gz SSIUXIMVPIHTGT-UHFFFAOYSA-N 0 0 232.371 3.889 20 0 BHADRN CCCCCNc1ccc(OC(F)F)cc1 ZINC000021009020 590163988 /nfs/dbraw/zinc/16/39/88/590163988.db2.gz GJKQAAUXWLQJDU-UHFFFAOYSA-N 0 0 229.270 3.890 20 0 BHADRN CCC[C@@H](C)CNc1cccc(OC)c1 ZINC000021012647 169360633 /nfs/dbraw/zinc/36/06/33/169360633.db2.gz CTFBOVZINNYGLF-LLVKDONJSA-N 0 0 207.317 3.543 20 0 BHADRN CCC[C@H](C)CNc1cccc(OC)c1 ZINC000021012648 384646049 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229.270 3.889 20 0 BHADRN CCC[C@H](C)Nc1ccc(OC(F)F)cc1 ZINC000021510608 590191905 /nfs/dbraw/zinc/19/19/05/590191905.db2.gz PZCFCVQUXHNLJX-VIFPVBQESA-N 0 0 229.270 3.889 20 0 BHADRN Cc1ccccc1NC[C@H]1CC=CCC1 ZINC000021512821 179306325 /nfs/dbraw/zinc/30/63/25/179306325.db2.gz FSFITKBRPRPCQS-ZDUSSCGKSA-N 0 0 201.313 3.763 20 0 BHADRN Cc1ccccc1NC[C@@H]1CC=CCC1 ZINC000021512823 179305139 /nfs/dbraw/zinc/30/51/39/179305139.db2.gz FSFITKBRPRPCQS-CYBMUJFWSA-N 0 0 201.313 3.763 20 0 BHADRN CCCCCNc1ccc(C(F)(F)F)cn1 ZINC000021513651 356510264 /nfs/dbraw/zinc/51/02/64/356510264.db2.gz MSVYOJPOQUSPDR-UHFFFAOYSA-N 0 0 232.249 3.703 20 0 BHADRN CC[C@@H](C)Nc1ncc(Cl)cc1Cl ZINC000021514740 323099606 /nfs/dbraw/zinc/09/96/06/323099606.db2.gz NHOBLFBEQAIBEL-ZCFIWIBFSA-N 0 0 219.115 3.599 20 0 BHADRN CC[C@H](C)Nc1ncc(Cl)cc1Cl ZINC000021514742 323099589 /nfs/dbraw/zinc/09/95/89/323099589.db2.gz NHOBLFBEQAIBEL-LURJTMIESA-N 0 0 219.115 3.599 20 0 BHADRN c1ccc(NC2CCCCCCC2)nc1 ZINC000021515278 385866344 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232.714 3.908 20 0 BHADRN c1cc(NC[C@H]2CC=CCC2)cc2c1CCC2 ZINC000021518672 262746981 /nfs/dbraw/zinc/74/69/81/262746981.db2.gz CBSXODGXGUELIX-ZDUSSCGKSA-N 0 0 227.351 3.944 20 0 BHADRN c1cc(NC[C@@H]2CC=CCC2)cc2c1CCC2 ZINC000021518673 350493328 /nfs/dbraw/zinc/49/33/28/350493328.db2.gz CBSXODGXGUELIX-CYBMUJFWSA-N 0 0 227.351 3.944 20 0 BHADRN Cc1ccoc1C(=O)Nc1ccccc1C(C)C ZINC000021668025 343017213 /nfs/dbraw/zinc/01/72/13/343017213.db2.gz OXIIHMZDZALKTC-UHFFFAOYSA-N 0 0 243.306 3.964 20 0 BHADRN CCCc1ccc(NC(=O)c2occc2C)cc1 ZINC000021669020 590201657 /nfs/dbraw/zinc/20/16/57/590201657.db2.gz RFKBERICQYPKES-UHFFFAOYSA-N 0 0 243.306 3.793 20 0 BHADRN Cc1ccoc1C(=O)Nc1cccc(C(C)C)c1 ZINC000021669036 367978913 /nfs/dbraw/zinc/97/89/13/367978913.db2.gz VUDJFPGTKRAYGU-UHFFFAOYSA-N 0 0 243.306 3.964 20 0 BHADRN Cc1ccc(NC[C@H]2CC=CCC2)cc1F ZINC000021788200 385702500 /nfs/dbraw/zinc/70/25/00/385702500.db2.gz JKZFCZFBLZFINH-LBPRGKRZSA-N 0 0 219.303 3.902 20 0 BHADRN Cc1ccc(NC[C@@H]2CC=CCC2)cc1F 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/nfs/dbraw/zinc/88/05/73/385880573.db2.gz XKQCZQVIPCPFSA-UHFFFAOYSA-N 0 0 218.325 3.651 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000021819092 590235841 /nfs/dbraw/zinc/23/58/41/590235841.db2.gz STSFNEZOOADFPE-VXGBXAGGSA-N 0 0 249.354 3.694 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000021819094 171367855 /nfs/dbraw/zinc/36/78/55/171367855.db2.gz STSFNEZOOADFPE-NWDGAFQWSA-N 0 0 249.354 3.694 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000021819096 170791813 /nfs/dbraw/zinc/79/18/13/170791813.db2.gz STSFNEZOOADFPE-NEPJUHHUSA-N 0 0 249.354 3.694 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000021819098 171391208 /nfs/dbraw/zinc/39/12/08/171391208.db2.gz STSFNEZOOADFPE-RYUDHWBXSA-N 0 0 249.354 3.694 20 0 BHADRN CC(C)(C)c1ccccc1NC(=O)c1ccoc1 ZINC000021835884 343022672 /nfs/dbraw/zinc/02/26/72/343022672.db2.gz LFQZRGNUESJGIT-UHFFFAOYSA-N 0 0 243.306 3.829 20 0 BHADRN Cc1ccsc1C(=O)Nc1cc(C)cc(C)c1 ZINC000021873862 384758586 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CCCc1ccc(NC(=O)c2ccsc2)cc1 ZINC000022654313 631465529 /nfs/dbraw/zinc/46/55/29/631465529.db2.gz NGWKAHIMYRMOCU-UHFFFAOYSA-N 0 0 245.347 3.953 20 0 BHADRN Oc1cccc(/C=N/C2CCCCCCC2)c1O ZINC000022727055 631536882 /nfs/dbraw/zinc/53/68/82/631536882.db2.gz CVJYJPUGGYADPN-LFIBNONCSA-N 0 0 247.338 3.630 20 0 BHADRN CC(C)CCNC(=O)c1cc2ccccc2s1 ZINC000022869429 353798758 /nfs/dbraw/zinc/79/87/58/353798758.db2.gz YVNMNYSKQYHWRE-UHFFFAOYSA-N 0 0 247.363 3.677 20 0 BHADRN O=C(NC1CCCC1)c1cc2ccccc2s1 ZINC000022872926 182110143 /nfs/dbraw/zinc/11/01/43/182110143.db2.gz GHXQYBQBGNSVFN-UHFFFAOYSA-N 0 0 245.347 3.574 20 0 BHADRN CC(C)=CC(=O)Nc1cc(Cl)ccc1Cl ZINC000022896062 631754733 /nfs/dbraw/zinc/75/47/33/631754733.db2.gz KJBGMDMCXQGOKD-UHFFFAOYSA-N 0 0 244.121 3.898 20 0 BHADRN CC(C)=CC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000022897633 187592166 /nfs/dbraw/zinc/59/21/66/187592166.db2.gz UEUJCGNKYJBANO-LLVKDONJSA-N 0 0 243.306 3.576 20 0 BHADRN CC(C)=CC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000022897636 384779015 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643414783 /nfs/dbraw/zinc/41/47/83/643414783.db2.gz MAFPZPJEDHFPNR-LLVKDONJSA-N 0 0 200.322 3.689 20 0 BHADRN CCCC[C@H](CCC)OC(=O)CCC ZINC000032218614 641777375 /nfs/dbraw/zinc/77/73/75/641777375.db2.gz MAFPZPJEDHFPNR-NSHDSACASA-N 0 0 200.322 3.689 20 0 BHADRN CC(C)(C)COC(=O)CCC1CCCC1 ZINC000032218949 641777910 /nfs/dbraw/zinc/77/79/10/641777910.db2.gz FQGDYVKWUHZJRJ-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000032219387 350198062 /nfs/dbraw/zinc/19/80/62/350198062.db2.gz BOLUTFLCJITYBW-UHFFFAOYSA-N 0 0 209.701 3.772 20 0 BHADRN Cc1nsc(Sc2ccc(Cl)cc2)n1 ZINC000032219909 385137127 /nfs/dbraw/zinc/13/71/27/385137127.db2.gz GNWNREBQWZYZJE-UHFFFAOYSA-N 0 0 242.756 3.651 20 0 BHADRN CCCc1nc(-c2ccccc2)cs1 ZINC000032220259 386513674 /nfs/dbraw/zinc/51/36/74/386513674.db2.gz IVBOIBGVWFKEGG-UHFFFAOYSA-N 0 0 203.310 3.763 20 0 BHADRN CC(C)c1nc(-c2ccccc2)cs1 ZINC000032223415 353252229 /nfs/dbraw/zinc/25/22/29/353252229.db2.gz IIINACKGVRAZSE-UHFFFAOYSA-N 0 0 203.310 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343231388 /nfs/dbraw/zinc/23/13/88/343231388.db2.gz VRWCNSDCUUYCKB-LJIKRCSCSA-N 0 0 245.322 3.545 20 0 BHADRN CCCCCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000032299079 643662197 /nfs/dbraw/zinc/66/21/97/643662197.db2.gz BRBPLPZXYPUHRY-UHFFFAOYSA-N 0 0 237.299 3.862 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccoc1 ZINC000032419328 388455569 /nfs/dbraw/zinc/45/55/69/388455569.db2.gz KYVRPUYRBMJXDH-OLZOCXBDSA-N 0 0 249.354 3.614 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccoc1 ZINC000032419329 388455925 /nfs/dbraw/zinc/45/59/25/388455925.db2.gz KYVRPUYRBMJXDH-STQMWFEESA-N 0 0 249.354 3.614 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccoc1 ZINC000032419330 262920415 /nfs/dbraw/zinc/92/04/15/262920415.db2.gz KYVRPUYRBMJXDH-CHWSQXEVSA-N 0 0 249.354 3.614 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccoc1 ZINC000032419331 388455779 /nfs/dbraw/zinc/45/57/79/388455779.db2.gz KYVRPUYRBMJXDH-QWHCGFSZSA-N 0 0 249.354 3.614 20 0 BHADRN CCSc1cc(C)c2ccccc2n1 ZINC000032535797 170653614 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C(=C\c1ccccc1)\c1nc(-c2ccccc2)no1 ZINC000033414351 166228616 /nfs/dbraw/zinc/22/86/16/166228616.db2.gz BKSWQGPNTNYZEH-QXMHVHEDSA-N 0 0 248.285 3.907 20 0 BHADRN Cc1ccc(-c2csc(NC(C)C)n2)cc1 ZINC000033464792 178330339 /nfs/dbraw/zinc/33/03/39/178330339.db2.gz UYIUKXHAMPXASP-UHFFFAOYSA-N 0 0 232.352 3.939 20 0 BHADRN Cc1sc(NC(C)C)nc1-c1ccccc1 ZINC000033464793 180558077 /nfs/dbraw/zinc/55/80/77/180558077.db2.gz CRRARRTXGHXSOK-UHFFFAOYSA-N 0 0 232.352 3.939 20 0 BHADRN CCCCNc1ccc(N2CCCCC2)cc1 ZINC000033464804 132336143 /nfs/dbraw/zinc/33/61/43/132336143.db2.gz QCDGDAQVZIMJFO-UHFFFAOYSA-N 0 0 232.371 3.889 20 0 BHADRN Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000033468891 344757450 /nfs/dbraw/zinc/75/74/50/344757450.db2.gz MMBOCLCFSWWMLT-UHFFFAOYSA-N 0 0 240.228 3.508 20 0 BHADRN Cc1ccc(N(C)Cc2cccc(N)c2)c(C)c1 ZINC000033469050 642166756 /nfs/dbraw/zinc/16/67/56/642166756.db2.gz OEIWZAGDGPUYLW-UHFFFAOYSA-N 0 0 240.350 3.522 20 0 BHADRN Cc1ccc(C)c(N(C)Cc2cccc(N)c2)c1 ZINC000033469052 384226408 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Cc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1C ZINC000034991591 636351106 /nfs/dbraw/zinc/35/11/06/636351106.db2.gz MXZVIYNJUMAWQM-UHFFFAOYSA-N 0 0 243.325 3.732 20 0 BHADRN CC(C)(C)C(=O)CSc1ccc(F)cc1F ZINC000035013553 166521918 /nfs/dbraw/zinc/52/19/18/166521918.db2.gz KQZSBULESIJFLI-UHFFFAOYSA-N 0 0 244.306 3.672 20 0 BHADRN O=C1CCCC[C@H]1Sc1ccc(F)cc1F ZINC000035013557 342882006 /nfs/dbraw/zinc/88/20/06/342882006.db2.gz OPMCYMXLMBWKHC-GFCCVEGCSA-N 0 0 242.290 3.569 20 0 BHADRN O=C1CCCC[C@@H]1Sc1ccc(F)cc1F ZINC000035013559 342881898 /nfs/dbraw/zinc/88/18/98/342881898.db2.gz OPMCYMXLMBWKHC-LBPRGKRZSA-N 0 0 242.290 3.569 20 0 BHADRN CC(C)(C)C(=O)CSc1cc(F)ccc1F ZINC000035013725 342881963 /nfs/dbraw/zinc/88/19/63/342881963.db2.gz YHXVVSXQILHREK-UHFFFAOYSA-N 0 0 244.306 3.672 20 0 BHADRN O=C1CCCC[C@H]1Sc1cc(F)ccc1F ZINC000035013729 342882008 /nfs/dbraw/zinc/88/20/08/342882008.db2.gz FKMIYZCNMCGTRG-LLVKDONJSA-N 0 0 242.290 3.569 20 0 BHADRN O=C1CCCC[C@@H]1Sc1cc(F)ccc1F ZINC000035013731 342882113 /nfs/dbraw/zinc/88/21/13/342882113.db2.gz FKMIYZCNMCGTRG-NSHDSACASA-N 0 0 242.290 3.569 20 0 BHADRN CC(C)(C)C(=O)CSc1ccc(F)c(F)c1 ZINC000035013899 342881885 /nfs/dbraw/zinc/88/18/85/342881885.db2.gz SJLRNTQCBQLJOX-UHFFFAOYSA-N 0 0 244.306 3.672 20 0 BHADRN O=C1CCCC[C@H]1Sc1ccc(F)c(F)c1 ZINC000035013903 342882101 /nfs/dbraw/zinc/88/21/01/342882101.db2.gz ALLGRWJQBGSSQH-GFCCVEGCSA-N 0 0 242.290 3.569 20 0 BHADRN O=C1CCCC[C@@H]1Sc1ccc(F)c(F)c1 ZINC000035013905 342882123 /nfs/dbraw/zinc/88/21/23/342882123.db2.gz ALLGRWJQBGSSQH-LBPRGKRZSA-N 0 0 242.290 3.569 20 0 BHADRN CC(=O)CCSc1ccc2ccccc2c1 ZINC000035014204 636390548 /nfs/dbraw/zinc/39/05/48/636390548.db2.gz ULKVJBKEWAPTHN-UHFFFAOYSA-N 0 0 230.332 3.911 20 0 BHADRN CC(C)Nc1ccc(SC(F)F)cc1 ZINC000035019802 167146958 /nfs/dbraw/zinc/14/69/58/167146958.db2.gz UPVXJICLOHHFLD-UHFFFAOYSA-N 0 0 217.284 3.822 20 0 BHADRN c1csc(CNc2cccc3cnccc32)c1 ZINC000035020923 323394761 /nfs/dbraw/zinc/39/47/61/323394761.db2.gz HWYSOIVIFGXZCN-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN COc1ccc(C(C)(C)C)cc1NC(C)C ZINC000035022896 385730883 /nfs/dbraw/zinc/73/08/83/385730883.db2.gz BPPLQXSDUQZSOR-UHFFFAOYSA-N 0 0 221.344 3.813 20 0 BHADRN CSc1ccccc1NCCC(C)C ZINC000035023126 343283322 /nfs/dbraw/zinc/28/33/22/343283322.db2.gz YVQOAUMUIGBOFC-UHFFFAOYSA-N 0 0 209.358 3.867 20 0 BHADRN CCCCCC(=O)Oc1ccc(Cl)cc1 ZINC000035030834 645871650 /nfs/dbraw/zinc/87/16/50/645871650.db2.gz CMPWIWHOKFLHBJ-UHFFFAOYSA-N 0 0 226.703 3.826 20 0 BHADRN CCCCCNc1cc(OC)c(OC)cc1C ZINC000035036430 168720959 /nfs/dbraw/zinc/72/09/59/168720959.db2.gz DSHWBKSWPNHSFO-UHFFFAOYSA-N 0 0 237.343 3.614 20 0 BHADRN CC(C)CCNc1ccc(NC(=O)C(C)C)cc1 ZINC000035036579 323396064 /nfs/dbraw/zinc/39/60/64/323396064.db2.gz OVJNHOAZZMAIHC-UHFFFAOYSA-N 0 0 248.370 3.739 20 0 BHADRN CCCCNc1ccccc1OCCC ZINC000035036970 322822911 /nfs/dbraw/zinc/82/29/11/322822911.db2.gz IDVOLYBHTGQTDD-UHFFFAOYSA-N 0 0 207.317 3.687 20 0 BHADRN CCCCNc1ccc(N2CCCC2)cc1C ZINC000035037255 645874415 /nfs/dbraw/zinc/87/44/15/645874415.db2.gz IJIWUTRICIIIML-UHFFFAOYSA-N 0 0 232.371 3.807 20 0 BHADRN CCCCNc1ccc2nc(C)sc2c1 ZINC000035037982 168879204 /nfs/dbraw/zinc/87/92/04/168879204.db2.gz YPSLVVKXPXNXKJ-UHFFFAOYSA-N 0 0 220.341 3.817 20 0 BHADRN c1ccc(CNc2cccc3cnccc32)cc1 ZINC000035038543 323396247 /nfs/dbraw/zinc/39/62/47/323396247.db2.gz RWKAJNDNVQQYND-UHFFFAOYSA-N 0 0 234.302 3.847 20 0 BHADRN CSc1ccccc1NCc1c(C)noc1C ZINC000035040618 343283730 /nfs/dbraw/zinc/28/37/30/343283730.db2.gz UZIKXIOZUISMJS-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN O=C1CCCC[C@H]1Sc1ccc2c(c1)CCC2 ZINC000035046813 487540694 /nfs/dbraw/zinc/54/06/94/487540694.db2.gz FSLMEKYQHJTXKJ-OAHLLOKOSA-N 0 0 246.375 3.779 20 0 BHADRN O=C1CCCC[C@@H]1Sc1ccc2c(c1)CCC2 ZINC000035046814 487540437 /nfs/dbraw/zinc/54/04/37/487540437.db2.gz FSLMEKYQHJTXKJ-HNNXBMFYSA-N 0 0 246.375 3.779 20 0 BHADRN Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)o1 ZINC000035053187 343283753 /nfs/dbraw/zinc/28/37/53/343283753.db2.gz NHXSTYVUHDLKNG-INIZCTEOSA-N 0 0 241.334 3.829 20 0 BHADRN Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)o1 ZINC000035053188 343283498 /nfs/dbraw/zinc/28/34/98/343283498.db2.gz NHXSTYVUHDLKNG-MRXNPFEDSA-N 0 0 241.334 3.829 20 0 BHADRN Cc1cc(C(=O)CSc2ccccc2)c(C)[nH]1 ZINC000035054774 358453362 /nfs/dbraw/zinc/45/33/62/358453362.db2.gz RDOKFIRADNGWTA-UHFFFAOYSA-N 0 0 245.347 3.607 20 0 BHADRN Fc1ccc(Nc2ncc(Cl)s2)cc1 ZINC000035076005 538955254 /nfs/dbraw/zinc/95/52/54/538955254.db2.gz UNVBVRYDSAIBCG-UHFFFAOYSA-N 0 0 228.679 3.679 20 0 BHADRN O=Cc1c(OC/C=C/Cl)ccc2ccccc12 ZINC000035101575 182860046 /nfs/dbraw/zinc/86/00/46/182860046.db2.gz NYOJRUBPQSRQLP-FPYGCLRLSA-N 0 0 246.693 3.784 20 0 BHADRN CCCOC(=O)c1ccc(Cl)cc1Cl ZINC000035101592 636739876 /nfs/dbraw/zinc/73/98/76/636739876.db2.gz ZOIIQQAHABCSLU-UHFFFAOYSA-N 0 0 233.094 3.560 20 0 BHADRN CCCOC(=O)c1cccc(Cl)c1Cl ZINC000035101607 636740755 /nfs/dbraw/zinc/74/07/55/636740755.db2.gz NPHBRCYSQOFYRI-UHFFFAOYSA-N 0 0 233.094 3.560 20 0 BHADRN CCCOC(=O)c1cc(Cl)ccc1Cl ZINC000035101608 636739854 /nfs/dbraw/zinc/73/98/54/636739854.db2.gz PFHLPMUSHXAORT-UHFFFAOYSA-N 0 0 233.094 3.560 20 0 BHADRN CCCOC(=O)c1c(Cl)cccc1Cl ZINC000035101609 636740226 /nfs/dbraw/zinc/74/02/26/636740226.db2.gz GOYYYENEGNXLOA-UHFFFAOYSA-N 0 0 233.094 3.560 20 0 BHADRN CCCOC(=O)c1cc(Cl)cc(Cl)c1 ZINC000035101610 636740314 /nfs/dbraw/zinc/74/03/14/636740314.db2.gz KVHNBJNANRJLPB-UHFFFAOYSA-N 0 0 233.094 3.560 20 0 BHADRN CCCCC1CCC(C(=O)OCC)CC1 ZINC000035101690 262839359 /nfs/dbraw/zinc/83/93/59/262839359.db2.gz NAAMEOFKSYWOQP-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN Cc1cc(NCc2ccccc2)nc(C(C)C)n1 ZINC000035121217 178173038 /nfs/dbraw/zinc/17/30/38/178173038.db2.gz RQRXHCLBSRCLSX-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN Cc1cc(NC2CCCCC2)nc(C(C)C)n1 ZINC000035121219 178154151 /nfs/dbraw/zinc/15/41/51/178154151.db2.gz NFJXPUZPIJBYIL-UHFFFAOYSA-N 0 0 233.359 3.653 20 0 BHADRN CCC(CC)Nc1cc(C)nc(C(C)C)n1 ZINC000035121294 168394228 /nfs/dbraw/zinc/39/42/28/168394228.db2.gz NXJHKDQWYRCFAM-UHFFFAOYSA-N 0 0 221.348 3.509 20 0 BHADRN Cc1cc(NCc2cccs2)nc(C(C)C)n1 ZINC000035121374 178175009 /nfs/dbraw/zinc/17/50/09/178175009.db2.gz WXLAOXIPQLSFSG-UHFFFAOYSA-N 0 0 247.367 3.582 20 0 BHADRN C[C@H](Nc1ccc2ccccc2n1)c1ccccn1 ZINC000035122240 322823263 /nfs/dbraw/zinc/82/32/63/322823263.db2.gz BCNBWVREPGVJIJ-LBPRGKRZSA-N 0 0 249.317 3.803 20 0 BHADRN C[C@@H](Nc1ccc2ccccc2n1)c1ccccn1 ZINC000035122241 384398955 /nfs/dbraw/zinc/39/89/55/384398955.db2.gz BCNBWVREPGVJIJ-GFCCVEGCSA-N 0 0 249.317 3.803 20 0 BHADRN Cc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000035122347 188101185 /nfs/dbraw/zinc/10/11/85/188101185.db2.gz WGSPSUFXBXTJBD-UHFFFAOYSA-N 0 0 241.121 3.796 20 0 BHADRN CC(=O)c1ccc(N(C)Cc2ccsc2)cc1 ZINC000035126878 166461909 /nfs/dbraw/zinc/46/19/09/166461909.db2.gz GZTIFPJPJGVQOL-UHFFFAOYSA-N 0 0 245.347 3.587 20 0 BHADRN C[C@@H](CC(=O)Nc1nccs1)CC(C)(C)C ZINC000035131045 355843281 /nfs/dbraw/zinc/84/32/81/355843281.db2.gz XTHKKDJZWNRIPR-VIFPVBQESA-N 0 0 240.372 3.544 20 0 BHADRN C[C@H](CC(=O)Nc1nccs1)CC(C)(C)C ZINC000035131046 355843382 /nfs/dbraw/zinc/84/33/82/355843382.db2.gz XTHKKDJZWNRIPR-SECBINFHSA-N 0 0 240.372 3.544 20 0 BHADRN Cc1sc2ncnc(N[C@@H](C)C3CC3)c2c1C ZINC000035135055 358454155 /nfs/dbraw/zinc/45/41/55/358454155.db2.gz AVWHNVHCDQFHLP-QMMMGPOBSA-N 0 0 247.367 3.519 20 0 BHADRN Cc1sc2ncnc(N[C@H](C)C3CC3)c2c1C ZINC000035135056 358454125 /nfs/dbraw/zinc/45/41/25/358454125.db2.gz AVWHNVHCDQFHLP-MRVPVSSYSA-N 0 0 247.367 3.519 20 0 BHADRN C[C@H](Nc1nc2ccccc2s1)C1CC1 ZINC000035135087 322823227 /nfs/dbraw/zinc/82/32/27/322823227.db2.gz IHEFRBJHFQTMSH-QMMMGPOBSA-N 0 0 218.325 3.507 20 0 BHADRN C[C@@H](Nc1nc2ccccc2s1)C1CC1 ZINC000035135088 262839698 /nfs/dbraw/zinc/83/96/98/262839698.db2.gz IHEFRBJHFQTMSH-MRVPVSSYSA-N 0 0 218.325 3.507 20 0 BHADRN CCOc1ccccc1CN[C@@H](C)c1ccco1 ZINC000035136898 343286063 /nfs/dbraw/zinc/28/60/63/343286063.db2.gz ALYCHKBHMDATQV-LBPRGKRZSA-N 0 0 245.322 3.529 20 0 BHADRN CCOc1ccccc1CN[C@H](C)c1ccco1 ZINC000035136900 343286040 /nfs/dbraw/zinc/28/60/40/343286040.db2.gz ALYCHKBHMDATQV-GFCCVEGCSA-N 0 0 245.322 3.529 20 0 BHADRN C[C@H](NCc1cc2ccccc2o1)c1ccco1 ZINC000035137006 387362928 /nfs/dbraw/zinc/36/29/28/387362928.db2.gz WHNVCZGOKAWWEE-NSHDSACASA-N 0 0 241.290 3.877 20 0 BHADRN C[C@@H](NCc1cc2ccccc2o1)c1ccco1 ZINC000035137008 387362154 /nfs/dbraw/zinc/36/21/54/387362154.db2.gz WHNVCZGOKAWWEE-LLVKDONJSA-N 0 0 241.290 3.877 20 0 BHADRN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccco1 ZINC000035141634 357971090 /nfs/dbraw/zinc/97/10/90/357971090.db2.gz JFVSISGRQVJBKS-MDZLAQPJSA-N 0 0 245.322 3.847 20 0 BHADRN C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccco1 ZINC000035141637 357971439 /nfs/dbraw/zinc/97/14/39/357971439.db2.gz JFVSISGRQVJBKS-GVXVVHGQSA-N 0 0 245.322 3.847 20 0 BHADRN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccco1 ZINC000035141640 357971242 /nfs/dbraw/zinc/97/12/42/357971242.db2.gz JFVSISGRQVJBKS-NTZNESFSSA-N 0 0 245.322 3.847 20 0 BHADRN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccco1 ZINC000035141642 357971050 /nfs/dbraw/zinc/97/10/50/357971050.db2.gz JFVSISGRQVJBKS-GMXVVIOVSA-N 0 0 245.322 3.847 20 0 BHADRN CCCCSCc1ccc(C(=O)OC)cc1 ZINC000035151688 342884443 /nfs/dbraw/zinc/88/44/43/342884443.db2.gz RVALYKRSIMLSOV-UHFFFAOYSA-N 0 0 238.352 3.507 20 0 BHADRN C[C@H](Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000035164246 643595070 /nfs/dbraw/zinc/59/50/70/643595070.db2.gz IEGCMXIPDDWJQI-ZDUSSCGKSA-N 0 0 240.350 3.926 20 0 BHADRN C[C@@H](Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000035164248 643595828 /nfs/dbraw/zinc/59/58/28/643595828.db2.gz IEGCMXIPDDWJQI-CYBMUJFWSA-N 0 0 240.350 3.926 20 0 BHADRN CN(C)c1ccc(NCC2CCCCC2)cc1 ZINC000035164407 643596865 /nfs/dbraw/zinc/59/68/65/643596865.db2.gz HWUICURWMQJDLY-UHFFFAOYSA-N 0 0 232.371 3.745 20 0 BHADRN COc1ccc(C)cc1CNc1ccccc1 ZINC000035164735 175076214 /nfs/dbraw/zinc/07/62/14/175076214.db2.gz AXKCFJYRLRIUMB-UHFFFAOYSA-N 0 0 227.307 3.616 20 0 BHADRN COc1ccc(C)cc1CNc1cccc(C)c1 ZINC000035164751 175076111 /nfs/dbraw/zinc/07/61/11/175076111.db2.gz YSNIELUAHFPFIG-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(C)cc1CNc1ccccc1C ZINC000035164753 175076145 /nfs/dbraw/zinc/07/61/45/175076145.db2.gz HNCHAIDMZBGRDU-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(C)cc1CNc1ccc(F)cc1 ZINC000035164764 175076180 /nfs/dbraw/zinc/07/61/80/175076180.db2.gz CVVJAHVSFJEHMQ-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(C)cc1CNc1ccc(C)cc1 ZINC000035164903 175076207 /nfs/dbraw/zinc/07/62/07/175076207.db2.gz YXWIOBVJYPTGPC-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(C)cc1CNc1cccc(F)c1 ZINC000035164910 175075685 /nfs/dbraw/zinc/07/56/85/175075685.db2.gz NXSFKKASMHBAKA-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(C)cc1CNc1ccccc1F ZINC000035164942 175075853 /nfs/dbraw/zinc/07/58/53/175075853.db2.gz LLUHUVYGXOVBNR-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN CCCCC[C@@H](C)NC(=O)/C=C\c1ccccc1 ZINC000035179603 646038923 /nfs/dbraw/zinc/03/89/23/646038923.db2.gz NINZHGZOWSROFH-WUFNSSIPSA-N 0 0 245.366 3.785 20 0 BHADRN CCCCC[C@H](C)NC(=O)/C=C\c1ccccc1 ZINC000035179607 646039770 /nfs/dbraw/zinc/03/97/70/646039770.db2.gz NINZHGZOWSROFH-DINCDJDBSA-N 0 0 245.366 3.785 20 0 BHADRN O=C(CSc1ccc(F)cc1)c1ccccc1 ZINC000035181571 182009209 /nfs/dbraw/zinc/00/92/09/182009209.db2.gz BPKGKGWVSXVGER-UHFFFAOYSA-N 0 0 246.306 3.801 20 0 BHADRN CC(=O)[C@H](C)Sc1ccc2ccccc2c1 ZINC000035181768 358455107 /nfs/dbraw/zinc/45/51/07/358455107.db2.gz LKNIMLAXKKEBTP-NSHDSACASA-N 0 0 230.332 3.909 20 0 BHADRN CC(=O)[C@@H](C)Sc1ccc2ccccc2c1 ZINC000035181769 358455081 /nfs/dbraw/zinc/45/50/81/358455081.db2.gz LKNIMLAXKKEBTP-LLVKDONJSA-N 0 0 230.332 3.909 20 0 BHADRN O=C(CSc1ccccc1F)c1ccccc1 ZINC000035181988 182008773 /nfs/dbraw/zinc/00/87/73/182008773.db2.gz MLSNSRVUIGGZEV-UHFFFAOYSA-N 0 0 246.306 3.801 20 0 BHADRN O=C1CCCC[C@H]1Sc1ccccc1Cl ZINC000035182214 386574893 /nfs/dbraw/zinc/57/48/93/386574893.db2.gz DEBURDZJDGTTGK-GFCCVEGCSA-N 0 0 240.755 3.944 20 0 BHADRN O=C1CCCC[C@@H]1Sc1ccccc1Cl ZINC000035182215 355875008 /nfs/dbraw/zinc/87/50/08/355875008.db2.gz DEBURDZJDGTTGK-LBPRGKRZSA-N 0 0 240.755 3.944 20 0 BHADRN CC(C)CSCC(=O)c1c[nH]c2ccccc21 ZINC000035182945 188081499 /nfs/dbraw/zinc/08/14/99/188081499.db2.gz DMYLWTNLRPYMNN-UHFFFAOYSA-N 0 0 247.363 3.740 20 0 BHADRN O=C(CSc1ccccc1)c1ccccc1F ZINC000035184015 387557395 /nfs/dbraw/zinc/55/73/95/387557395.db2.gz BYKQSGREIVTXCJ-UHFFFAOYSA-N 0 0 246.306 3.801 20 0 BHADRN Cc1ccc(S[C@@H]2CCCCC2=O)cc1C ZINC000035184442 384404455 /nfs/dbraw/zinc/40/44/55/384404455.db2.gz DMNFUGBCNGAKSD-CQSZACIVSA-N 0 0 234.364 3.907 20 0 BHADRN Cc1ccc(S[C@H]2CCCCC2=O)cc1C ZINC000035184443 384404339 /nfs/dbraw/zinc/40/43/39/384404339.db2.gz DMNFUGBCNGAKSD-AWEZNQCLSA-N 0 0 234.364 3.907 20 0 BHADRN Cc1ccc(S[C@@H]2CCCCC2=O)c(C)c1 ZINC000035184585 384404639 /nfs/dbraw/zinc/40/46/39/384404639.db2.gz XBOIPWNUOWTCSW-CQSZACIVSA-N 0 0 234.364 3.907 20 0 BHADRN Cc1ccc(S[C@H]2CCCCC2=O)c(C)c1 ZINC000035184586 384403268 /nfs/dbraw/zinc/40/32/68/384403268.db2.gz XBOIPWNUOWTCSW-AWEZNQCLSA-N 0 0 234.364 3.907 20 0 BHADRN CCOC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000035186571 170293923 /nfs/dbraw/zinc/29/39/23/170293923.db2.gz DKLWQXOSGWAMIE-UHFFFAOYSA-N 0 0 245.322 3.642 20 0 BHADRN CCCOC(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC000035189143 169300113 /nfs/dbraw/zinc/30/01/13/169300113.db2.gz PVWRMGZMVSZKJX-GXTWGEPZSA-N 0 0 234.339 3.770 20 0 BHADRN CCCOC(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC000035189144 169300562 /nfs/dbraw/zinc/30/05/62/169300562.db2.gz PVWRMGZMVSZKJX-JSGCOSHPSA-N 0 0 234.339 3.770 20 0 BHADRN CCCOC(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC000035189145 169299936 /nfs/dbraw/zinc/29/99/36/169299936.db2.gz PVWRMGZMVSZKJX-TZMCWYRMSA-N 0 0 234.339 3.770 20 0 BHADRN CCCOC(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC000035189146 169300312 /nfs/dbraw/zinc/30/03/12/169300312.db2.gz PVWRMGZMVSZKJX-OCCSQVGLSA-N 0 0 234.339 3.770 20 0 BHADRN OCCSCc1ccc(-c2ccccc2)cc1 ZINC000035198953 183089112 /nfs/dbraw/zinc/08/91/12/183089112.db2.gz DHCZVFAAFYIFDZ-UHFFFAOYSA-N 0 0 244.359 3.579 20 0 BHADRN Cc1cc(C)nc(NC2CCCCCCC2)n1 ZINC000035206236 712028793 /nfs/dbraw/zinc/02/87/93/712028793.db2.gz FLTDLTOQHJAUKB-UHFFFAOYSA-N 0 0 233.359 3.618 20 0 BHADRN CCCCSCc1ccc(Cl)nc1 ZINC000035219709 644281548 /nfs/dbraw/zinc/28/15/48/644281548.db2.gz IIRJHWYILPBGLS-UHFFFAOYSA-N 0 0 215.749 3.768 20 0 BHADRN Fc1cccc(CNc2ccccc2)c1F ZINC000035223363 180997776 /nfs/dbraw/zinc/99/77/76/180997776.db2.gz DFFHCRXQZMLNGP-UHFFFAOYSA-N 0 0 219.234 3.577 20 0 BHADRN Cc1cccc(NCc2cccc(F)c2F)c1 ZINC000035223372 262842514 /nfs/dbraw/zinc/84/25/14/262842514.db2.gz ZHRZPZWNRHAMFD-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN COc1cccc(NCc2cccc(F)c2F)c1 ZINC000035223375 357976659 /nfs/dbraw/zinc/97/66/59/357976659.db2.gz FBFAVNDIYYMHCN-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN Fc1ccc(NCc2cccc(F)c2F)cc1 ZINC000035223381 387563734 /nfs/dbraw/zinc/56/37/34/387563734.db2.gz AIZBSISAUNTRPF-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Cc1ccc(NCc2cccc(F)c2F)cc1 ZINC000035223388 359651722 /nfs/dbraw/zinc/65/17/22/359651722.db2.gz ULSWMKVYLIMLND-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN COc1ccc(NCc2cccc(F)c2F)cc1 ZINC000035223393 646103973 /nfs/dbraw/zinc/10/39/73/646103973.db2.gz KXFXPHMXWOTLSJ-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN Fc1cccc(NCc2cccc(F)c2F)c1 ZINC000035223403 262842090 /nfs/dbraw/zinc/84/20/90/262842090.db2.gz YWZNMSCAERBTJA-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Cc1ccccc1NCc1cccc(F)c1F ZINC000035223724 179306104 /nfs/dbraw/zinc/30/61/04/179306104.db2.gz RNEYANJJEBLONC-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN COc1ccccc1NCc1cccc(F)c1F ZINC000035223730 387563606 /nfs/dbraw/zinc/56/36/06/387563606.db2.gz QTNMVNKDILXLKS-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN Fc1ccccc1NCc1cccc(F)c1F ZINC000035223941 181014583 /nfs/dbraw/zinc/01/45/83/181014583.db2.gz BPOMOEGYANQRHK-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN CC(=O)CCCSc1ccc2c(c1)CCC2 ZINC000035229325 384407961 /nfs/dbraw/zinc/40/79/61/384407961.db2.gz YYFZIEBVYMJXTP-UHFFFAOYSA-N 0 0 234.364 3.637 20 0 BHADRN CC(C)[C@H](NCC(F)(F)F)c1ccccc1 ZINC000035230289 387563689 /nfs/dbraw/zinc/56/36/89/387563689.db2.gz WYWLFOIRJSVWOI-NSHDSACASA-N 0 0 231.261 3.536 20 0 BHADRN CC(C)[C@@H](NCC(F)(F)F)c1ccccc1 ZINC000035230291 387564417 /nfs/dbraw/zinc/56/44/17/387564417.db2.gz WYWLFOIRJSVWOI-LLVKDONJSA-N 0 0 231.261 3.536 20 0 BHADRN Cc1cccc(CNc2ccc3c(c2)CCO3)c1 ZINC000035231014 644473503 /nfs/dbraw/zinc/47/35/03/644473503.db2.gz NALCXROKZWCKQS-UHFFFAOYSA-N 0 0 239.318 3.542 20 0 BHADRN Cc1ccccc1CNc1ccc2c(c1)CCO2 ZINC000035231018 644472298 /nfs/dbraw/zinc/47/22/98/644472298.db2.gz AEQAFPJYOCVLDL-UHFFFAOYSA-N 0 0 239.318 3.542 20 0 BHADRN CCCc1ccccc1NCc1c(C)noc1C ZINC000035252561 358456828 /nfs/dbraw/zinc/45/68/28/358456828.db2.gz CZRWPBKVHHJEEB-UHFFFAOYSA-N 0 0 244.338 3.856 20 0 BHADRN Cc1cc(NCC2CCCCC2)ccc1N ZINC000035278276 646180910 /nfs/dbraw/zinc/18/09/10/646180910.db2.gz KHZPOQLIHYJFPC-UHFFFAOYSA-N 0 0 218.344 3.569 20 0 BHADRN CC(C)CNc1cc(Cl)ccc1F ZINC000035284423 167015384 /nfs/dbraw/zinc/01/53/84/167015384.db2.gz VRHHICOHWCCEDC-UHFFFAOYSA-N 0 0 201.672 3.547 20 0 BHADRN COc1ccc(NC/C=C\c2ccccc2)cc1 ZINC000035386192 646374833 /nfs/dbraw/zinc/37/48/33/646374833.db2.gz ZPGKCTSWGVZIDM-YVMONPNESA-N 0 0 239.318 3.821 20 0 BHADRN CCCNC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000035401786 646384380 /nfs/dbraw/zinc/38/43/80/646384380.db2.gz JMMRXNJGKBBREB-FLIBITNWSA-N 0 0 245.366 3.524 20 0 BHADRN C[C@@H](CCc1ccco1)Nc1ccccc1 ZINC000035450513 343296934 /nfs/dbraw/zinc/29/69/34/343296934.db2.gz OVRLZRCKPRNXIV-LBPRGKRZSA-N 0 0 215.296 3.713 20 0 BHADRN C[C@H](CCc1ccco1)Nc1ccccc1 ZINC000035450517 357992519 /nfs/dbraw/zinc/99/25/19/357992519.db2.gz OVRLZRCKPRNXIV-GFCCVEGCSA-N 0 0 215.296 3.713 20 0 BHADRN COc1ccccc1N[C@@H](C)CCc1ccco1 ZINC000035450610 175338811 /nfs/dbraw/zinc/33/88/11/175338811.db2.gz BZVDGTMYUFZYHZ-LBPRGKRZSA-N 0 0 245.322 3.721 20 0 BHADRN COc1ccccc1N[C@H](C)CCc1ccco1 ZINC000035450614 175338712 /nfs/dbraw/zinc/33/87/12/175338712.db2.gz BZVDGTMYUFZYHZ-GFCCVEGCSA-N 0 0 245.322 3.721 20 0 BHADRN C[C@@H](CCc1ccco1)Nc1cccc(F)c1 ZINC000035451125 357992873 /nfs/dbraw/zinc/99/28/73/357992873.db2.gz FILXNGRGVOZWDT-NSHDSACASA-N 0 0 233.286 3.852 20 0 BHADRN C[C@H](CCc1ccco1)Nc1cccc(F)c1 ZINC000035451129 357992963 /nfs/dbraw/zinc/99/29/63/357992963.db2.gz FILXNGRGVOZWDT-LLVKDONJSA-N 0 0 233.286 3.852 20 0 BHADRN C[C@@H](CCc1ccco1)Nc1ccc(F)cc1 ZINC000035451180 357992538 /nfs/dbraw/zinc/99/25/38/357992538.db2.gz DPYSRACFOVFGDT-NSHDSACASA-N 0 0 233.286 3.852 20 0 BHADRN C[C@H](CCc1ccco1)Nc1ccc(F)cc1 ZINC000035451184 357992851 /nfs/dbraw/zinc/99/28/51/357992851.db2.gz DPYSRACFOVFGDT-LLVKDONJSA-N 0 0 233.286 3.852 20 0 BHADRN C[C@@H](CCc1ccco1)Nc1ccccc1F ZINC000035451205 343297020 /nfs/dbraw/zinc/29/70/20/343297020.db2.gz QKAYDHFVMIWYDT-NSHDSACASA-N 0 0 233.286 3.852 20 0 BHADRN C[C@H](CCc1ccco1)Nc1ccccc1F ZINC000035451209 343297000 /nfs/dbraw/zinc/29/70/00/343297000.db2.gz QKAYDHFVMIWYDT-LLVKDONJSA-N 0 0 233.286 3.852 20 0 BHADRN COc1cccc(N[C@@H](C)CCc2ccco2)c1 ZINC000035451359 175279364 /nfs/dbraw/zinc/27/93/64/175279364.db2.gz BYIDSLUEDWNFNQ-LBPRGKRZSA-N 0 0 245.322 3.721 20 0 BHADRN COc1cccc(N[C@H](C)CCc2ccco2)c1 ZINC000035451364 357992932 /nfs/dbraw/zinc/99/29/32/357992932.db2.gz BYIDSLUEDWNFNQ-GFCCVEGCSA-N 0 0 245.322 3.721 20 0 BHADRN COc1ccc(N[C@@H](C)CCc2ccco2)cc1 ZINC000035451396 175153594 /nfs/dbraw/zinc/15/35/94/175153594.db2.gz NGRBNJVYOGDIQZ-LBPRGKRZSA-N 0 0 245.322 3.721 20 0 BHADRN COc1ccc(N[C@H](C)CCc2ccco2)cc1 ZINC000035451400 175155021 /nfs/dbraw/zinc/15/50/21/175155021.db2.gz NGRBNJVYOGDIQZ-GFCCVEGCSA-N 0 0 245.322 3.721 20 0 BHADRN c1csc(NCc2cccc3ccccc32)n1 ZINC000035521622 639656030 /nfs/dbraw/zinc/65/60/30/639656030.db2.gz STSUMGFRLXWKMY-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN CCCCCCOc1ccc([C@@H](C)O)cc1 ZINC000035626107 633834174 /nfs/dbraw/zinc/83/41/74/633834174.db2.gz JUPLFQZARBOWQO-GFCCVEGCSA-N 0 0 222.328 3.699 20 0 BHADRN CCCCCCOc1ccc([C@H](C)O)cc1 ZINC000035626108 633834705 /nfs/dbraw/zinc/83/47/05/633834705.db2.gz JUPLFQZARBOWQO-LBPRGKRZSA-N 0 0 222.328 3.699 20 0 BHADRN C[C@H](O)c1ccc(OCC2CCCCC2)cc1 ZINC000035626297 633835340 /nfs/dbraw/zinc/83/53/40/633835340.db2.gz ZEYKAGFLDAKIIA-LBPRGKRZSA-N 0 0 234.339 3.699 20 0 BHADRN C[C@@H](O)c1ccc(OCC2CCCCC2)cc1 ZINC000035626298 633836194 /nfs/dbraw/zinc/83/61/94/633836194.db2.gz ZEYKAGFLDAKIIA-GFCCVEGCSA-N 0 0 234.339 3.699 20 0 BHADRN Cc1ccccc1COc1ccc([C@@H](C)O)cc1 ZINC000035626379 179286066 /nfs/dbraw/zinc/28/60/66/179286066.db2.gz XKJHXHGTJPBZAD-CYBMUJFWSA-N 0 0 242.318 3.627 20 0 BHADRN Cc1ccccc1COc1ccc([C@H](C)O)cc1 ZINC000035626380 179285370 /nfs/dbraw/zinc/28/53/70/179285370.db2.gz XKJHXHGTJPBZAD-ZDUSSCGKSA-N 0 0 242.318 3.627 20 0 BHADRN Cc1cccc(COc2ccc([C@@H](C)O)cc2)c1 ZINC000035626387 633835570 /nfs/dbraw/zinc/83/55/70/633835570.db2.gz UWHBZHWYTPVPOK-CYBMUJFWSA-N 0 0 242.318 3.627 20 0 BHADRN Cc1cccc(COc2ccc([C@H](C)O)cc2)c1 ZINC000035626388 633835840 /nfs/dbraw/zinc/83/58/40/633835840.db2.gz UWHBZHWYTPVPOK-ZDUSSCGKSA-N 0 0 242.318 3.627 20 0 BHADRN Cc1ccc(COc2ccc([C@@H](C)O)cc2)cc1 ZINC000035626393 187258505 /nfs/dbraw/zinc/25/85/05/187258505.db2.gz WVCRHXSFQLOJKT-CYBMUJFWSA-N 0 0 242.318 3.627 20 0 BHADRN Cc1ccc(COc2ccc([C@H](C)O)cc2)cc1 ZINC000035626394 633835485 /nfs/dbraw/zinc/83/54/85/633835485.db2.gz WVCRHXSFQLOJKT-ZDUSSCGKSA-N 0 0 242.318 3.627 20 0 BHADRN CCCCCOc1ccc(CC[C@@H](C)O)cc1 ZINC000035627228 359657439 /nfs/dbraw/zinc/65/74/39/359657439.db2.gz BUOJJHOJOXSDBK-CYBMUJFWSA-N 0 0 236.355 3.569 20 0 BHADRN CCCCCOc1ccc(CC[C@H](C)O)cc1 ZINC000035627229 359657518 /nfs/dbraw/zinc/65/75/18/359657518.db2.gz BUOJJHOJOXSDBK-ZDUSSCGKSA-N 0 0 236.355 3.569 20 0 BHADRN CC[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000035628101 342753525 /nfs/dbraw/zinc/75/35/25/342753525.db2.gz FLFJIXBJTKMTCR-INIZCTEOSA-N 0 0 242.318 3.709 20 0 BHADRN CC[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000035628102 342753616 /nfs/dbraw/zinc/75/36/16/342753616.db2.gz FLFJIXBJTKMTCR-MRXNPFEDSA-N 0 0 242.318 3.709 20 0 BHADRN CCCCCOc1ccc([C@H](O)CC)cc1 ZINC000035628109 168730583 /nfs/dbraw/zinc/73/05/83/168730583.db2.gz PUHSRAPUAHFYLO-CQSZACIVSA-N 0 0 222.328 3.699 20 0 BHADRN CCCCCOc1ccc([C@@H](O)CC)cc1 ZINC000035628110 639764495 /nfs/dbraw/zinc/76/44/95/639764495.db2.gz PUHSRAPUAHFYLO-AWEZNQCLSA-N 0 0 222.328 3.699 20 0 BHADRN CC[C@H](O)c1ccc(OCCC(C)C)cc1 ZINC000035628115 639766241 /nfs/dbraw/zinc/76/62/41/639766241.db2.gz WYXSBEQNFTXTLK-AWEZNQCLSA-N 0 0 222.328 3.555 20 0 BHADRN CC[C@@H](O)c1ccc(OCCC(C)C)cc1 ZINC000035628116 639765593 /nfs/dbraw/zinc/76/55/93/639765593.db2.gz WYXSBEQNFTXTLK-CQSZACIVSA-N 0 0 222.328 3.555 20 0 BHADRN COc1ccc(C[C@H](C)Nc2ccccc2)cc1 ZINC000035647640 175117356 /nfs/dbraw/zinc/11/73/56/175117356.db2.gz ISWZVGRLMBMMCJ-ZDUSSCGKSA-N 0 0 241.334 3.738 20 0 BHADRN COc1ccc(C[C@@H](C)Nc2ccccc2)cc1 ZINC000035647642 175115949 /nfs/dbraw/zinc/11/59/49/175115949.db2.gz ISWZVGRLMBMMCJ-CYBMUJFWSA-N 0 0 241.334 3.738 20 0 BHADRN Cc1cc(Cl)c(C(C)C)cc1OCCCO ZINC000035650178 387577809 /nfs/dbraw/zinc/57/78/09/387577809.db2.gz WLSNOYJTBXWKBQ-UHFFFAOYSA-N 0 0 242.746 3.533 20 0 BHADRN CC(C)c1ccc(SCCCCO)cc1 ZINC000035650366 384416662 /nfs/dbraw/zinc/41/66/62/384416662.db2.gz LXIJKFJTEJNGEN-UHFFFAOYSA-N 0 0 224.369 3.675 20 0 BHADRN Cc1ccc(Cl)cc1NC1CCSCC1 ZINC000035651866 343301317 /nfs/dbraw/zinc/30/13/17/343301317.db2.gz OMCFEUYHLIOKAN-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN Cc1ccc(NC2CCSCC2)c(C)c1 ZINC000035651869 343301263 /nfs/dbraw/zinc/30/12/63/343301263.db2.gz HQCLCNGJPFOSPR-UHFFFAOYSA-N 0 0 221.369 3.611 20 0 BHADRN CSc1cccc(NC2CCSCC2)c1 ZINC000035651879 175580782 /nfs/dbraw/zinc/58/07/82/175580782.db2.gz JUPZWAZSOKCPKV-UHFFFAOYSA-N 0 0 239.409 3.716 20 0 BHADRN Cc1ccc(NC2CCSCC2)cc1Cl ZINC000035651880 178756917 /nfs/dbraw/zinc/75/69/17/178756917.db2.gz KHQJJYNAWRCSAV-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN c1cnc2c(c1)cccc2NC1CCSCC1 ZINC000035651887 183485783 /nfs/dbraw/zinc/48/57/83/183485783.db2.gz XQXYRSCTKPSEDH-UHFFFAOYSA-N 0 0 244.363 3.542 20 0 BHADRN Cc1c(Cl)cccc1NC1CCSCC1 ZINC000035651896 177601859 /nfs/dbraw/zinc/60/18/59/177601859.db2.gz FORMHPGSQMSUGF-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN c1cc2c(c(NC3CCSCC3)c1)CCCC2 ZINC000035651901 183365183 /nfs/dbraw/zinc/36/51/83/183365183.db2.gz JUYXYVXTLQPNTH-UHFFFAOYSA-N 0 0 247.407 3.873 20 0 BHADRN CSc1ccc(NC2CCSCC2)cc1 ZINC000035651904 490108376 /nfs/dbraw/zinc/10/83/76/490108376.db2.gz ATEJFEJLBFBDHK-UHFFFAOYSA-N 0 0 239.409 3.716 20 0 BHADRN c1cnc2cccc(NC3CCSCC3)c2c1 ZINC000035651907 183357539 /nfs/dbraw/zinc/35/75/39/183357539.db2.gz HWVPXTXNVVJEOU-UHFFFAOYSA-N 0 0 244.363 3.542 20 0 BHADRN Cc1ccc(NC2CCSCC2)cc1C ZINC000035651939 178757069 /nfs/dbraw/zinc/75/70/69/178757069.db2.gz UVKCPKVGQFJMLV-UHFFFAOYSA-N 0 0 221.369 3.611 20 0 BHADRN Clc1cccc(NC2CCSCC2)c1 ZINC000035651940 343301304 /nfs/dbraw/zinc/30/13/04/343301304.db2.gz IDTGVFGBZYAUCL-UHFFFAOYSA-N 0 0 227.760 3.648 20 0 BHADRN Clc1ccc(NC2CCSCC2)cc1 ZINC000035651942 180582582 /nfs/dbraw/zinc/58/25/82/180582582.db2.gz OLILHQIFSIYMLJ-UHFFFAOYSA-N 0 0 227.760 3.648 20 0 BHADRN Clc1ccccc1NC1CCSCC1 ZINC000035651949 343301291 /nfs/dbraw/zinc/30/12/91/343301291.db2.gz AYXPEZRTLZXZTP-UHFFFAOYSA-N 0 0 227.760 3.648 20 0 BHADRN Cc1cc(C)cc(NC2CCSCC2)c1 ZINC000035651955 177908871 /nfs/dbraw/zinc/90/88/71/177908871.db2.gz HUBMBRZBCDBWFZ-UHFFFAOYSA-N 0 0 221.369 3.611 20 0 BHADRN CCc1ccc(NC2CCSCC2)cc1 ZINC000035651957 383866711 /nfs/dbraw/zinc/86/67/11/383866711.db2.gz WTDXMQJARSNUNX-UHFFFAOYSA-N 0 0 221.369 3.557 20 0 BHADRN CCc1ccccc1NC1CCSCC1 ZINC000035651959 383866722 /nfs/dbraw/zinc/86/67/22/383866722.db2.gz DSUFQXNKOCRADM-UHFFFAOYSA-N 0 0 221.369 3.557 20 0 BHADRN CCc1cccc(NC2CCSCC2)c1 ZINC000035651962 171862683 /nfs/dbraw/zinc/86/26/83/171862683.db2.gz ISYRPHULWDLMJH-UHFFFAOYSA-N 0 0 221.369 3.557 20 0 BHADRN Cc1cccc(NC2CCSCC2)c1C ZINC000035651964 187939377 /nfs/dbraw/zinc/93/93/77/187939377.db2.gz ZMKMPKITJKMJKK-UHFFFAOYSA-N 0 0 221.369 3.611 20 0 BHADRN Cc1ccc(C)c(NC2CCSCC2)c1 ZINC000035651966 383866411 /nfs/dbraw/zinc/86/64/11/383866411.db2.gz UPEQWOCUVQXSHY-UHFFFAOYSA-N 0 0 221.369 3.611 20 0 BHADRN Cc1cc(Cl)ccc1NC1CCSCC1 ZINC000035651976 187422221 /nfs/dbraw/zinc/42/22/21/187422221.db2.gz UNLHPGJFQZLBFD-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN CCCc1ccc(NC2CCSCC2)cc1 ZINC000035651995 633867378 /nfs/dbraw/zinc/86/73/78/633867378.db2.gz CHYOPOQKPFGRFL-UHFFFAOYSA-N 0 0 235.396 3.947 20 0 BHADRN Fc1ccc(NC2CCSCC2)cc1Cl ZINC000035652014 343301226 /nfs/dbraw/zinc/30/12/26/343301226.db2.gz ALHBXPKTKRBDGG-UHFFFAOYSA-N 0 0 245.750 3.787 20 0 BHADRN Cc1ccc(NC2CCSCC2)c(Cl)c1 ZINC000035652017 343301296 /nfs/dbraw/zinc/30/12/96/343301296.db2.gz GOXCIDRPUVUQKL-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN Cc1cccc(NC2Cc3ccccc3C2)c1 ZINC000035657814 262848047 /nfs/dbraw/zinc/84/80/47/262848047.db2.gz RVAQKMBFONAZMV-UHFFFAOYSA-N 0 0 223.319 3.574 20 0 BHADRN Cc1ccccc1NC1Cc2ccccc2C1 ZINC000035657956 179305201 /nfs/dbraw/zinc/30/52/01/179305201.db2.gz SFJSCSRQGIYBPW-UHFFFAOYSA-N 0 0 223.319 3.574 20 0 BHADRN OCCCCSc1ccc2ccccc2c1 ZINC000035676541 342754539 /nfs/dbraw/zinc/75/45/39/342754539.db2.gz AGBHIMBKKPKSRE-UHFFFAOYSA-N 0 0 232.348 3.704 20 0 BHADRN C/C=C\C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000035684837 639828497 /nfs/dbraw/zinc/82/84/97/639828497.db2.gz WZYWSDZYMUATCD-KXFIGUGUSA-N 0 0 237.302 3.868 20 0 BHADRN c1coc(CNc2nccc3sccc32)c1 ZINC000035687673 183511426 /nfs/dbraw/zinc/51/14/26/183511426.db2.gz PNZBGKAWGBXOPP-UHFFFAOYSA-N 0 0 230.292 3.501 20 0 BHADRN CC[C@@H](C)Nc1nccc2sccc21 ZINC000035687675 538021649 /nfs/dbraw/zinc/02/16/49/538021649.db2.gz YCSDBQCOBUFZDO-MRVPVSSYSA-N 0 0 206.314 3.507 20 0 BHADRN CC[C@H](C)Nc1nccc2sccc21 ZINC000035687676 538020937 /nfs/dbraw/zinc/02/09/37/538020937.db2.gz YCSDBQCOBUFZDO-QMMMGPOBSA-N 0 0 206.314 3.507 20 0 BHADRN c1cc2c(ccnc2NC2CCCC2)s1 ZINC000035687679 358182327 /nfs/dbraw/zinc/18/23/27/358182327.db2.gz CQVUFPZFTCTAHC-UHFFFAOYSA-N 0 0 218.325 3.651 20 0 BHADRN CCC(CC)Nc1nccc2sccc21 ZINC000035687680 342891678 /nfs/dbraw/zinc/89/16/78/342891678.db2.gz QIKVSTKJNRYWNV-UHFFFAOYSA-N 0 0 220.341 3.897 20 0 BHADRN CCC[C@@H](C)Nc1nccc2sccc21 ZINC000035687691 358182353 /nfs/dbraw/zinc/18/23/53/358182353.db2.gz VGZYDRPVJSDCLE-SECBINFHSA-N 0 0 220.341 3.897 20 0 BHADRN CCC[C@H](C)Nc1nccc2sccc21 ZINC000035687692 358182372 /nfs/dbraw/zinc/18/23/72/358182372.db2.gz VGZYDRPVJSDCLE-VIFPVBQESA-N 0 0 220.341 3.897 20 0 BHADRN c1cc2c(ccnc2NCc2ccccc2)s1 ZINC000035687694 387553562 /nfs/dbraw/zinc/55/35/62/387553562.db2.gz TXLQGLLQUOOXHB-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN CCCCNc1nccc2sccc21 ZINC000035687701 342755670 /nfs/dbraw/zinc/75/56/70/342755670.db2.gz HFEBJZAPVVRJLN-UHFFFAOYSA-N 0 0 206.314 3.508 20 0 BHADRN CCCCCNc1nccc2sccc21 ZINC000035687703 358182151 /nfs/dbraw/zinc/18/21/51/358182151.db2.gz UHBKLYQCVRZZIT-UHFFFAOYSA-N 0 0 220.341 3.898 20 0 BHADRN CC(C)CCNc1nccc2sccc21 ZINC000035687708 358183053 /nfs/dbraw/zinc/18/30/53/358183053.db2.gz BQMSFCLTJTYELN-UHFFFAOYSA-N 0 0 220.341 3.754 20 0 BHADRN c1csc(CNc2nccc3sccc32)c1 ZINC000035687757 358458592 /nfs/dbraw/zinc/45/85/92/358458592.db2.gz BCXURIJDJSXALH-UHFFFAOYSA-N 0 0 246.360 3.970 20 0 BHADRN c1cc2c(ccnc2NCC2CCC2)s1 ZINC000035687758 358182749 /nfs/dbraw/zinc/18/27/49/358182749.db2.gz AWKIVCZLHHHKHF-UHFFFAOYSA-N 0 0 218.325 3.508 20 0 BHADRN c1cc2c(ccnc2NCC2CCCC2)s1 ZINC000035687765 358183058 /nfs/dbraw/zinc/18/30/58/358183058.db2.gz AOXJYWBYVKZQFG-UHFFFAOYSA-N 0 0 232.352 3.898 20 0 BHADRN c1ccc(CNc2ccc3ccccc3c2)nc1 ZINC000035732563 639879005 /nfs/dbraw/zinc/87/90/05/639879005.db2.gz AXEMEAPZMXCKMT-UHFFFAOYSA-N 0 0 234.302 3.847 20 0 BHADRN C[C@H](Nc1nccc2sccc21)C1CC1 ZINC000035733776 398164626 /nfs/dbraw/zinc/16/46/26/398164626.db2.gz GCOPOYSILXXZKU-QMMMGPOBSA-N 0 0 218.325 3.507 20 0 BHADRN C[C@@H](Nc1nccc2sccc21)C1CC1 ZINC000035733777 398164112 /nfs/dbraw/zinc/16/41/12/398164112.db2.gz GCOPOYSILXXZKU-MRVPVSSYSA-N 0 0 218.325 3.507 20 0 BHADRN CC(C)c1ccc([C@@H](C)Nc2cnn(C)c2)cc1 ZINC000035737592 343303164 /nfs/dbraw/zinc/30/31/64/343303164.db2.gz APAVOOPAVULHCS-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1ccc([C@H](C)Nc2cnn(C)c2)cc1 ZINC000035737593 167618240 /nfs/dbraw/zinc/61/82/40/167618240.db2.gz APAVOOPAVULHCS-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN CC[C@H](Nc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000035737738 343303073 /nfs/dbraw/zinc/30/30/73/343303073.db2.gz MTJVLZJABUYPFP-ZDUSSCGKSA-N 0 0 249.745 3.637 20 0 BHADRN CC[C@@H](Nc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000035737739 343303177 /nfs/dbraw/zinc/30/31/77/343303177.db2.gz MTJVLZJABUYPFP-CYBMUJFWSA-N 0 0 249.745 3.637 20 0 BHADRN c1ccc(NCc2cnc3ccccc3c2)cc1 ZINC000035768235 343304072 /nfs/dbraw/zinc/30/40/72/343304072.db2.gz MGILBSXEULWFEC-UHFFFAOYSA-N 0 0 234.302 3.847 20 0 BHADRN CCCCCC[C@@H](C)Nc1cnn(CC)c1 ZINC000035779879 639924666 /nfs/dbraw/zinc/92/46/66/639924666.db2.gz 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CCC[C@H](Nc1cnn(CC)c1)c1ccccc1 ZINC000035780178 169514908 /nfs/dbraw/zinc/51/49/08/169514908.db2.gz KFCNFULLVPGBMG-HNNXBMFYSA-N 0 0 243.354 3.856 20 0 BHADRN CCC[C@@H](Nc1cnn(CC)c1)c1ccccc1 ZINC000035780179 169404081 /nfs/dbraw/zinc/40/40/81/169404081.db2.gz KFCNFULLVPGBMG-OAHLLOKOSA-N 0 0 243.354 3.856 20 0 BHADRN CC[C@@H](C)C[C@@H](CC)Nc1cnn(CC)c1 ZINC000035780230 387581044 /nfs/dbraw/zinc/58/10/44/387581044.db2.gz UOKCLUWDAIDCPP-VXGBXAGGSA-N 0 0 223.364 3.530 20 0 BHADRN CC[C@H](C[C@@H](C)CC)Nc1cnn(CC)c1 ZINC000035780232 387581660 /nfs/dbraw/zinc/58/16/60/387581660.db2.gz UOKCLUWDAIDCPP-NWDGAFQWSA-N 0 0 223.364 3.530 20 0 BHADRN CC[C@@H](C)C[C@H](CC)Nc1cnn(CC)c1 ZINC000035780234 387581521 /nfs/dbraw/zinc/58/15/21/387581521.db2.gz UOKCLUWDAIDCPP-NEPJUHHUSA-N 0 0 223.364 3.530 20 0 BHADRN CC[C@H](C)C[C@H](CC)Nc1cnn(CC)c1 ZINC000035780235 387581463 /nfs/dbraw/zinc/58/14/63/387581463.db2.gz UOKCLUWDAIDCPP-RYUDHWBXSA-N 0 0 223.364 3.530 20 0 BHADRN CCc1ccc([C@@H](C)Nc2cnn(CC)c2)cc1 ZINC000035780237 171832455 /nfs/dbraw/zinc/83/24/55/171832455.db2.gz OQUMZRLYYMWIMA-GFCCVEGCSA-N 0 0 243.354 3.639 20 0 BHADRN CCc1ccc([C@H](C)Nc2cnn(CC)c2)cc1 ZINC000035780240 387553584 /nfs/dbraw/zinc/55/35/84/387553584.db2.gz OQUMZRLYYMWIMA-LBPRGKRZSA-N 0 0 243.354 3.639 20 0 BHADRN CCn1cc(N[C@@H](C)c2ccc(C)c(C)c2)cn1 ZINC000035780251 172187061 /nfs/dbraw/zinc/18/70/61/172187061.db2.gz DRQUKBXBZLRGOT-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc(N[C@H](C)c2ccc(C)c(C)c2)cn1 ZINC000035780253 172188703 /nfs/dbraw/zinc/18/87/03/172188703.db2.gz DRQUKBXBZLRGOT-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc(N[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000035780323 172186765 /nfs/dbraw/zinc/18/67/65/172186765.db2.gz ZVVMIPBIVNBRJN-JTQLQIEISA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc(N[C@H](C)c2cccc(Cl)c2)cn1 ZINC000035780326 172188451 /nfs/dbraw/zinc/18/84/51/172188451.db2.gz ZVVMIPBIVNBRJN-SNVBAGLBSA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc(N[C@@H](C)c2cc(C)ccc2C)cn1 ZINC000035780469 172186378 /nfs/dbraw/zinc/18/63/78/172186378.db2.gz KGQFHFDCQVTLGJ-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc(N[C@H](C)c2cc(C)ccc2C)cn1 ZINC000035780472 172187902 /nfs/dbraw/zinc/18/79/02/172187902.db2.gz KGQFHFDCQVTLGJ-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc(N[C@@H](C)c2ccc(C)cc2C)cn1 ZINC000035780485 172186837 /nfs/dbraw/zinc/18/68/37/172186837.db2.gz GTTYJJILOHHRFE-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc(N[C@H](C)c2ccc(C)cc2C)cn1 ZINC000035780487 172187951 /nfs/dbraw/zinc/18/79/51/172187951.db2.gz GTTYJJILOHHRFE-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CC[C@H](Nc1cnn(CC)c1)c1ccc(F)cc1 ZINC000035780585 171552501 /nfs/dbraw/zinc/55/25/01/171552501.db2.gz JLLBZKDPRGHVSR-AWEZNQCLSA-N 0 0 247.317 3.605 20 0 BHADRN CC[C@@H](Nc1cnn(CC)c1)c1ccc(F)cc1 ZINC000035780588 343304576 /nfs/dbraw/zinc/30/45/76/343304576.db2.gz JLLBZKDPRGHVSR-CQSZACIVSA-N 0 0 247.317 3.605 20 0 BHADRN CCn1cc(N[C@@H](C)c2ccccc2Cl)cn1 ZINC000035780770 172186787 /nfs/dbraw/zinc/18/67/87/172186787.db2.gz NRBQPMLMURFFBP-JTQLQIEISA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc(N[C@H](C)c2ccccc2Cl)cn1 ZINC000035780772 172188691 /nfs/dbraw/zinc/18/86/91/172188691.db2.gz NRBQPMLMURFFBP-SNVBAGLBSA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc(N[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000035780774 172186885 /nfs/dbraw/zinc/18/68/85/172186885.db2.gz JQPWKUSMQMLUPA-JTQLQIEISA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc(N[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000035780776 172188753 /nfs/dbraw/zinc/18/87/53/172188753.db2.gz JQPWKUSMQMLUPA-SNVBAGLBSA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc(NCc2ccc(C(C)C)cc2)cn1 ZINC000035780839 172185451 /nfs/dbraw/zinc/18/54/51/172185451.db2.gz HHMPMDGBJOGQHM-UHFFFAOYSA-N 0 0 243.354 3.639 20 0 BHADRN CC(C)OC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000035803907 387581707 /nfs/dbraw/zinc/58/17/07/387581707.db2.gz KPKBUMDLONKLDZ-UHFFFAOYSA-N 0 0 248.253 3.651 20 0 BHADRN c1ccc(-c2cccc3ccccc32)nc1 ZINC000035837043 183380940 /nfs/dbraw/zinc/38/09/40/183380940.db2.gz VLRSADZEDXVUPG-UHFFFAOYSA-N 0 0 205.260 3.902 20 0 BHADRN CCCCOC(=O)/C=C/c1ccccc1Cl ZINC000035962954 640162044 /nfs/dbraw/zinc/16/20/44/640162044.db2.gz KDIRBLAIZFGTHT-CMDGGOBGSA-N 0 0 238.714 3.697 20 0 BHADRN CCCCC(=O)NCCc1ccc(C(C)C)cc1 ZINC000036113198 356006673 /nfs/dbraw/zinc/00/66/73/356006673.db2.gz GPTXAQOQCOPVLO-UHFFFAOYSA-N 0 0 247.382 3.659 20 0 BHADRN CC(C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000036113199 398247015 /nfs/dbraw/zinc/24/70/15/398247015.db2.gz WQJXRPJMURVJCT-UHFFFAOYSA-N 0 0 247.382 3.515 20 0 BHADRN CC(C)c1ccc(CCNC(=O)C(C)(C)C)cc1 ZINC000036113202 387578830 /nfs/dbraw/zinc/57/88/30/387578830.db2.gz DFQIHVZQWSASSB-UHFFFAOYSA-N 0 0 247.382 3.515 20 0 BHADRN CCCC(=O)N1CCc2ccccc2[C@@H]1C(C)C ZINC000036113625 538959093 /nfs/dbraw/zinc/95/90/93/538959093.db2.gz BQZOXPNDFJSFJN-INIZCTEOSA-N 0 0 245.366 3.569 20 0 BHADRN CCCC(=O)N1CCc2ccccc2[C@H]1C(C)C ZINC000036113626 538959179 /nfs/dbraw/zinc/95/91/79/538959179.db2.gz BQZOXPNDFJSFJN-MRXNPFEDSA-N 0 0 245.366 3.569 20 0 BHADRN CC(C)CCNC(=O)CC(C)(C)c1ccccc1 ZINC000036140017 387579374 /nfs/dbraw/zinc/57/93/74/387579374.db2.gz RXUYBDQTOAEDNA-UHFFFAOYSA-N 0 0 247.382 3.517 20 0 BHADRN CCCCCNC(=O)CC(C)(C)c1ccccc1 ZINC000036140019 388457282 /nfs/dbraw/zinc/45/72/82/388457282.db2.gz WYGPSPLDUVRBCW-UHFFFAOYSA-N 0 0 247.382 3.661 20 0 BHADRN CCCCN(C)C(=O)CC(C)(C)c1ccccc1 ZINC000036140021 356020677 /nfs/dbraw/zinc/02/06/77/356020677.db2.gz DIJYCSWAVVYRNP-UHFFFAOYSA-N 0 0 247.382 3.613 20 0 BHADRN CC(C)c1csc(-c2ccccc2O)n1 ZINC000036155385 384428495 /nfs/dbraw/zinc/42/84/95/384428495.db2.gz WBVNLDLFCOSQES-UHFFFAOYSA-N 0 0 219.309 3.639 20 0 BHADRN CC(C)(C)c1csc(-c2ccccc2O)n1 ZINC000036155388 387581151 /nfs/dbraw/zinc/58/11/51/387581151.db2.gz KMVYJDPFFPOPLE-UHFFFAOYSA-N 0 0 233.336 3.813 20 0 BHADRN CNc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000036162716 387583129 /nfs/dbraw/zinc/58/31/29/387583129.db2.gz DVGIVVGWWGURQV-UHFFFAOYSA-N 0 0 232.352 3.777 20 0 BHADRN CC[C@@H]1CCCN(c2ccc(F)cc2C(C)=O)C1 ZINC000036169808 538959104 /nfs/dbraw/zinc/95/91/04/538959104.db2.gz ZUVNELLFQRZTJO-GFCCVEGCSA-N 0 0 249.329 3.655 20 0 BHADRN CC[C@H]1CCCN(c2ccc(F)cc2C(C)=O)C1 ZINC000036169809 538958988 /nfs/dbraw/zinc/95/89/88/538958988.db2.gz ZUVNELLFQRZTJO-LBPRGKRZSA-N 0 0 249.329 3.655 20 0 BHADRN CC(C)CCNC(=O)Nc1ccccc1Cl ZINC000036179800 398255734 /nfs/dbraw/zinc/25/57/34/398255734.db2.gz JQJBRDXRZSRFOU-UHFFFAOYSA-N 0 0 240.734 3.508 20 0 BHADRN CCC(=O)c1cc(Cl)ccc1OCC(C)C ZINC000036193334 398257396 /nfs/dbraw/zinc/25/73/96/398257396.db2.gz XTLGLRPYVWNFQU-UHFFFAOYSA-N 0 0 240.730 3.968 20 0 BHADRN CC(C)(C)c1ccc(NC2CCOCC2)cc1 ZINC000036303836 383895519 /nfs/dbraw/zinc/89/55/19/383895519.db2.gz RMNHAUBBRAOIIU-UHFFFAOYSA-N 0 0 233.355 3.575 20 0 BHADRN Clc1cc(Cl)cc(NC2CCOCC2)c1 ZINC000036303929 343314798 /nfs/dbraw/zinc/31/47/98/343314798.db2.gz GQMSPYMESFNYDC-UHFFFAOYSA-N 0 0 246.137 3.584 20 0 BHADRN CCCCc1ccc(NC2CCOCC2)cc1 ZINC000036304378 387585273 /nfs/dbraw/zinc/58/52/73/387585273.db2.gz XEEZZKOVJKVALY-UHFFFAOYSA-N 0 0 233.355 3.620 20 0 BHADRN CCC[C@@H](C)CNc1ccc(N(C)C)cc1 ZINC000036335097 169360907 /nfs/dbraw/zinc/36/09/07/169360907.db2.gz HPLZMHUSXQNGJM-GFCCVEGCSA-N 0 0 220.360 3.601 20 0 BHADRN CCC[C@H](C)CNc1ccc(N(C)C)cc1 ZINC000036335098 643176156 /nfs/dbraw/zinc/17/61/56/643176156.db2.gz HPLZMHUSXQNGJM-LBPRGKRZSA-N 0 0 220.360 3.601 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc(N(C)C)cc1 ZINC000036335113 643177087 /nfs/dbraw/zinc/17/70/87/643177087.db2.gz DJCPHLWNRKSSGC-VXGBXAGGSA-N 0 0 220.360 3.599 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc(N(C)C)cc1 ZINC000036335114 643176954 /nfs/dbraw/zinc/17/69/54/643176954.db2.gz DJCPHLWNRKSSGC-NWDGAFQWSA-N 0 0 220.360 3.599 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc(N(C)C)cc1 ZINC000036335115 643175954 /nfs/dbraw/zinc/17/59/54/643175954.db2.gz DJCPHLWNRKSSGC-NEPJUHHUSA-N 0 0 220.360 3.599 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc(N(C)C)cc1 ZINC000036335116 643176592 /nfs/dbraw/zinc/17/65/92/643176592.db2.gz DJCPHLWNRKSSGC-RYUDHWBXSA-N 0 0 220.360 3.599 20 0 BHADRN CN(C)c1ccc(NC[C@H]2CC=CCC2)cc1 ZINC000036335131 643177562 /nfs/dbraw/zinc/17/75/62/643177562.db2.gz VWNHRZRLXXNMHI-ZDUSSCGKSA-N 0 0 230.355 3.521 20 0 BHADRN CN(C)c1ccc(NC[C@@H]2CC=CCC2)cc1 ZINC000036335132 643177158 /nfs/dbraw/zinc/17/71/58/643177158.db2.gz VWNHRZRLXXNMHI-CYBMUJFWSA-N 0 0 230.355 3.521 20 0 BHADRN CN(C)c1ccc(NC2CCCCCC2)cc1 ZINC000036335229 643175766 /nfs/dbraw/zinc/17/57/66/643175766.db2.gz WSLHYOXZMBPQLS-UHFFFAOYSA-N 0 0 232.371 3.887 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Nc1ccc(N(C)C)cc1 ZINC000036335241 643176895 /nfs/dbraw/zinc/17/68/95/643176895.db2.gz GIURBNSHXDIMIS-DOMZBBRYSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@H]1CCCC[C@@H]1Nc1ccc(N(C)C)cc1 ZINC000036335242 643177340 /nfs/dbraw/zinc/17/73/40/643177340.db2.gz GIURBNSHXDIMIS-WFASDCNBSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@@H]1CCCC[C@H]1Nc1ccc(N(C)C)cc1 ZINC000036335243 643176812 /nfs/dbraw/zinc/17/68/12/643176812.db2.gz GIURBNSHXDIMIS-IUODEOHRSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@H]1CCCC[C@H]1Nc1ccc(N(C)C)cc1 ZINC000036335244 643176246 /nfs/dbraw/zinc/17/62/46/643176246.db2.gz GIURBNSHXDIMIS-SWLSCSKDSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ccc(N(C)C)cc2)C1 ZINC000036335249 643176848 /nfs/dbraw/zinc/17/68/48/643176848.db2.gz QDECPMYRNYLKMU-OCCSQVGLSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ccc(N(C)C)cc2)C1 ZINC000036335250 643176661 /nfs/dbraw/zinc/17/66/61/643176661.db2.gz QDECPMYRNYLKMU-JSGCOSHPSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ccc(N(C)C)cc2)C1 ZINC000036335251 643177441 /nfs/dbraw/zinc/17/74/41/643177441.db2.gz QDECPMYRNYLKMU-TZMCWYRMSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ccc(N(C)C)cc2)C1 ZINC000036335252 643176981 /nfs/dbraw/zinc/17/69/81/643176981.db2.gz QDECPMYRNYLKMU-GXTWGEPZSA-N 0 0 232.371 3.743 20 0 BHADRN CCC(CC)CNc1ccc(N(C)C)cc1 ZINC000036335268 168366799 /nfs/dbraw/zinc/36/67/99/168366799.db2.gz XFRZLLOWCNWBOF-UHFFFAOYSA-N 0 0 220.360 3.601 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccc(N(C)C)cc1 ZINC000036335390 643180805 /nfs/dbraw/zinc/18/08/05/643180805.db2.gz ZLEHBKOUYKEXQB-GFCCVEGCSA-N 0 0 220.360 3.599 20 0 BHADRN CC(C)C[C@H](C)Nc1ccc(N(C)C)cc1 ZINC000036335391 643181855 /nfs/dbraw/zinc/18/18/55/643181855.db2.gz ZLEHBKOUYKEXQB-LBPRGKRZSA-N 0 0 220.360 3.599 20 0 BHADRN C[C@H](Nc1ccc(N(C)C)cc1)c1cccs1 ZINC000036335392 343316211 /nfs/dbraw/zinc/31/62/11/343316211.db2.gz SYNKNWZWFGLODI-NSHDSACASA-N 0 0 246.379 3.987 20 0 BHADRN C[C@@H](Nc1ccc(N(C)C)cc1)c1cccs1 ZINC000036335393 343316490 /nfs/dbraw/zinc/31/64/90/343316490.db2.gz SYNKNWZWFGLODI-LLVKDONJSA-N 0 0 246.379 3.987 20 0 BHADRN C[C@H](Nc1ccc(N(C)C)cc1)c1ccco1 ZINC000036335419 643181346 /nfs/dbraw/zinc/18/13/46/643181346.db2.gz FLQAGHKDOUXYQB-NSHDSACASA-N 0 0 230.311 3.519 20 0 BHADRN C[C@@H](Nc1ccc(N(C)C)cc1)c1ccco1 ZINC000036335420 643180438 /nfs/dbraw/zinc/18/04/38/643180438.db2.gz FLQAGHKDOUXYQB-LLVKDONJSA-N 0 0 230.311 3.519 20 0 BHADRN Cc1ccc([C@@H](C)Nc2ccc(N(C)C)cc2)o1 ZINC000036335432 643181481 /nfs/dbraw/zinc/18/14/81/643181481.db2.gz WBOVLUOHSUYPJY-GFCCVEGCSA-N 0 0 244.338 3.827 20 0 BHADRN Cc1ccc([C@H](C)Nc2ccc(N(C)C)cc2)o1 ZINC000036335433 643180335 /nfs/dbraw/zinc/18/03/35/643180335.db2.gz WBOVLUOHSUYPJY-LBPRGKRZSA-N 0 0 244.338 3.827 20 0 BHADRN C/C=C/C=C/C(=O)Nc1cccc(C(C)C)c1 ZINC000036350518 640520310 /nfs/dbraw/zinc/52/03/10/640520310.db2.gz MYECZCVMGAANRW-UMCKCUICSA-N 0 0 229.323 3.881 20 0 BHADRN Cc1ccc(/C=C2\c3ccccc3NC2=O)cc1C ZINC000036373940 178355361 /nfs/dbraw/zinc/35/53/61/178355361.db2.gz MLTVGMKTZVOOMQ-XNTDXEJSSA-N 0 0 249.313 3.796 20 0 BHADRN c1nn(Cc2ccccc2)cc1-c1ccccc1 ZINC000036387541 387588502 /nfs/dbraw/zinc/58/85/02/387588502.db2.gz UKSRZAPCPDTVNR-UHFFFAOYSA-N 0 0 234.302 3.598 20 0 BHADRN CCc1ccccc1C(=O)N(C(C)C)C(C)C ZINC000036421371 171869916 /nfs/dbraw/zinc/86/99/16/171869916.db2.gz SYLYABHKWFGFAZ-UHFFFAOYSA-N 0 0 233.355 3.508 20 0 BHADRN c1cc2cccc(-c3ccc4c(c3)OCO4)c2[nH]1 ZINC000036449529 636141206 /nfs/dbraw/zinc/14/12/06/636141206.db2.gz GDUXSVIHFFFPCG-UHFFFAOYSA-N 0 0 237.258 3.564 20 0 BHADRN C[C@@H](c1ccccn1)N1CCCc2ccccc21 ZINC000036457032 132294886 /nfs/dbraw/zinc/29/48/86/132294886.db2.gz HNLXASJBFGMIHJ-ZDUSSCGKSA-N 0 0 238.334 3.595 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000036467712 387496122 /nfs/dbraw/zinc/49/61/22/387496122.db2.gz BSJFWSMKEACQPT-LLVKDONJSA-N 0 0 227.348 3.576 20 0 BHADRN CC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000036468186 368266797 /nfs/dbraw/zinc/26/67/97/368266797.db2.gz HQOFRQMNHBRFJV-INIZCTEOSA-N 0 0 245.366 3.834 20 0 BHADRN COc1cccc(NC(=O)C2(C)CCCCC2)c1 ZINC000036473962 358039019 /nfs/dbraw/zinc/03/90/19/358039019.db2.gz WSDFCCXTKVMQBO-UHFFFAOYSA-N 0 0 247.338 3.604 20 0 BHADRN CCCCOC(=O)c1csc2ccccc12 ZINC000036489508 712459122 /nfs/dbraw/zinc/45/91/22/712459122.db2.gz GDWOPAIMBFJGES-UHFFFAOYSA-N 0 0 234.320 3.858 20 0 BHADRN FC(F)(F)c1ccc(-c2cccnc2)cc1 ZINC000036489668 180892543 /nfs/dbraw/zinc/89/25/43/180892543.db2.gz NLEVCXWLTHEKMV-UHFFFAOYSA-N 0 0 223.197 3.767 20 0 BHADRN CCCCCC(=O)N[C@@H](CC)c1ccccc1 ZINC000036562876 358462337 /nfs/dbraw/zinc/46/23/37/358462337.db2.gz GCWJOAOYTGGMCF-AWEZNQCLSA-N 0 0 233.355 3.834 20 0 BHADRN CCCCCC(=O)N[C@H](CC)c1ccccc1 ZINC000036562878 358462663 /nfs/dbraw/zinc/46/26/63/358462663.db2.gz GCWJOAOYTGGMCF-CQSZACIVSA-N 0 0 233.355 3.834 20 0 BHADRN Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)o1 ZINC000036632492 387595696 /nfs/dbraw/zinc/59/56/96/387595696.db2.gz ZLFBOICWCGZDOW-UHFFFAOYSA-N 0 0 243.306 3.964 20 0 BHADRN CCNc1nc2cc(C(F)(F)F)ccc2s1 ZINC000036722654 170177636 /nfs/dbraw/zinc/17/76/36/170177636.db2.gz XCBKIUVUHLGLAJ-UHFFFAOYSA-N 0 0 246.257 3.747 20 0 BHADRN Cc1ccc(OCC2CC2)c(Br)c1 ZINC000036765374 178810112 /nfs/dbraw/zinc/81/01/12/178810112.db2.gz RHDGNYKQJGTNIQ-UHFFFAOYSA-N 0 0 241.128 3.546 20 0 BHADRN CC1CCC(Nc2ncnc3sccc32)CC1 ZINC000036803799 168167394 /nfs/dbraw/zinc/16/73/94/168167394.db2.gz UWXJAHKVNWRDTG-UHFFFAOYSA-N 0 0 247.367 3.682 20 0 BHADRN CCCCCNc1ncnc2sc(C)c(C)c21 ZINC000036803808 387668415 /nfs/dbraw/zinc/66/84/15/387668415.db2.gz YPWLXAXTMIJMRC-UHFFFAOYSA-N 0 0 249.383 3.910 20 0 BHADRN Cc1sc2ncnc(NCCC(C)C)c2c1C ZINC000036803816 387668481 /nfs/dbraw/zinc/66/84/81/387668481.db2.gz NABFAXPDXVBUHX-UHFFFAOYSA-N 0 0 249.383 3.766 20 0 BHADRN CCC(CC)Nc1ncnc2sc(C)c(C)c21 ZINC000036803827 168395409 /nfs/dbraw/zinc/39/54/09/168395409.db2.gz CBOBCRCYRLFIOO-UHFFFAOYSA-N 0 0 249.383 3.909 20 0 BHADRN Clc1snnc1CSc1cccs1 ZINC000036820417 347824161 /nfs/dbraw/zinc/82/41/61/347824161.db2.gz SSCOLGWVXPGVEQ-UHFFFAOYSA-N 0 0 248.785 3.545 20 0 BHADRN c1ccc2nc(NC3CCCCC3)ccc2c1 ZINC000036862534 387818517 /nfs/dbraw/zinc/81/85/17/387818517.db2.gz DKNYQWSMAYKEEW-UHFFFAOYSA-N 0 0 226.323 3.979 20 0 BHADRN Cc1n[nH]c(C)c1CNc1cc(Cl)ccc1C ZINC000036864457 188112661 /nfs/dbraw/zinc/11/26/61/188112661.db2.gz RSDIHHYGGDDSBH-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN Cc1n[nH]c(C)c1CNc1ccc(C)c(Cl)c1 ZINC000036864486 343325618 /nfs/dbraw/zinc/32/56/18/343325618.db2.gz FUEKUFPCGFMEOH-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN Cc1n[nH]c(C)c1CNc1cccc(Cl)c1C ZINC000036864512 383913934 /nfs/dbraw/zinc/91/39/34/383913934.db2.gz BTSFUJILDSSKMB-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN Cc1n[nH]c(C)c1CNc1ccc(C(C)C)cc1 ZINC000036864547 383914295 /nfs/dbraw/zinc/91/42/95/383914295.db2.gz AIKVYVLOQYKKTB-UHFFFAOYSA-N 0 0 243.354 3.762 20 0 BHADRN Cc1n[nH]c(C)c1CNc1ccc(Cl)cc1C ZINC000036864638 343325603 /nfs/dbraw/zinc/32/56/03/343325603.db2.gz VUYNDWKLMJMDMQ-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN Cc1n[nH]c(C)c1CNc1cccc(C(C)C)c1 ZINC000036864710 179825586 /nfs/dbraw/zinc/82/55/86/179825586.db2.gz YUZBDROVAMQOAC-UHFFFAOYSA-N 0 0 243.354 3.762 20 0 BHADRN Cc1n[nH]c(C)c1CNc1ccc(C)cc1Cl ZINC000036864805 343325620 /nfs/dbraw/zinc/32/56/20/343325620.db2.gz XMBJGJBSXIUMPG-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN CC[C@H](O)c1ccc(OCc2ccsc2)cc1 ZINC000036867028 712504730 /nfs/dbraw/zinc/50/47/30/712504730.db2.gz CZANECGGUVVDRM-AWEZNQCLSA-N 0 0 248.347 3.771 20 0 BHADRN CC[C@@H](O)c1ccc(OCc2ccsc2)cc1 ZINC000036867029 712504521 /nfs/dbraw/zinc/50/45/21/712504521.db2.gz CZANECGGUVVDRM-CQSZACIVSA-N 0 0 248.347 3.771 20 0 BHADRN FC(F)Oc1ccc(NCC2CC2)cc1Cl ZINC000036882417 712510551 /nfs/dbraw/zinc/51/05/51/712510551.db2.gz DEXURIJEDGZFDJ-UHFFFAOYSA-N 0 0 247.672 3.763 20 0 BHADRN Cc1cc(C(=O)Nc2ccccc2)sc1C ZINC000036885628 383916815 /nfs/dbraw/zinc/91/68/15/383916815.db2.gz CWSADQVFKRRFBD-UHFFFAOYSA-N 0 0 231.320 3.617 20 0 BHADRN C[C@@H](CC(=O)Nc1ccc(O)cc1)CC(C)(C)C ZINC000036889658 538961262 /nfs/dbraw/zinc/96/12/62/538961262.db2.gz LIUNJDDRXNVCLX-NSHDSACASA-N 0 0 249.354 3.793 20 0 BHADRN C[C@H](CC(=O)Nc1ccc(O)cc1)CC(C)(C)C ZINC000036889660 538961324 /nfs/dbraw/zinc/96/13/24/538961324.db2.gz LIUNJDDRXNVCLX-LLVKDONJSA-N 0 0 249.354 3.793 20 0 BHADRN CCCCCc1ccc(NCc2cc[nH]n2)cc1 ZINC000036900184 387861809 /nfs/dbraw/zinc/86/18/09/387861809.db2.gz YIWASPXYCWVQTC-UHFFFAOYSA-N 0 0 243.354 3.755 20 0 BHADRN Cc1n[nH]cc1CNc1ccc(C(C)(C)C)cc1 ZINC000036901439 383917407 /nfs/dbraw/zinc/91/74/07/383917407.db2.gz JWASIASCHNZPFH-UHFFFAOYSA-N 0 0 243.354 3.628 20 0 BHADRN CCCCc1ccc(NCc2c[nH]nc2C)cc1 ZINC000036901632 169021638 /nfs/dbraw/zinc/02/16/38/169021638.db2.gz GPBDFKUDZPCSHK-UHFFFAOYSA-N 0 0 243.354 3.673 20 0 BHADRN Cc1nc([C@H](C)Nc2cccc(C)c2)cs1 ZINC000036914345 179152828 /nfs/dbraw/zinc/15/28/28/179152828.db2.gz CBLSCZQYUMHQRF-JTQLQIEISA-N 0 0 232.352 3.933 20 0 BHADRN Cc1nc([C@@H](C)Nc2cccc(C)c2)cs1 ZINC000036914346 179157283 /nfs/dbraw/zinc/15/72/83/179157283.db2.gz CBLSCZQYUMHQRF-SNVBAGLBSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1nc([C@@H](C)N[C@@H](C)c2ccccc2)cs1 ZINC000036914349 180036687 /nfs/dbraw/zinc/03/66/87/180036687.db2.gz JMKCEPBTEQUVSD-WDEREUQCSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1nc([C@H](C)N[C@@H](C)c2ccccc2)cs1 ZINC000036914350 180051444 /nfs/dbraw/zinc/05/14/44/180051444.db2.gz JMKCEPBTEQUVSD-QWRGUYRKSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1nc([C@@H](C)N[C@H](C)c2ccccc2)cs1 ZINC000036914351 180038246 /nfs/dbraw/zinc/03/82/46/180038246.db2.gz JMKCEPBTEQUVSD-GHMZBOCLSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1nc([C@H](C)N[C@H](C)c2ccccc2)cs1 ZINC000036914352 180051291 /nfs/dbraw/zinc/05/12/91/180051291.db2.gz JMKCEPBTEQUVSD-MNOVXSKESA-N 0 0 246.379 3.863 20 0 BHADRN COc1ccccc1N[C@H](C)c1csc(C)n1 ZINC000036914389 175338509 /nfs/dbraw/zinc/33/85/09/175338509.db2.gz KFLCBXPMFMIGOH-SECBINFHSA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccccc1N[C@@H](C)c1csc(C)n1 ZINC000036914390 175338442 /nfs/dbraw/zinc/33/84/42/175338442.db2.gz KFLCBXPMFMIGOH-VIFPVBQESA-N 0 0 248.351 3.633 20 0 BHADRN Cc1nc([C@@H](C)Nc2cccc(F)c2)cs1 ZINC000036914543 180038457 /nfs/dbraw/zinc/03/84/57/180038457.db2.gz DVGIYVFLEXCVPA-MRVPVSSYSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1nc([C@H](C)Nc2cccc(F)c2)cs1 ZINC000036914544 180053442 /nfs/dbraw/zinc/05/34/42/180053442.db2.gz DVGIYVFLEXCVPA-QMMMGPOBSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1nc([C@@H](C)Nc2ccc(F)cc2)cs1 ZINC000036914557 180037768 /nfs/dbraw/zinc/03/77/68/180037768.db2.gz MVSMPFVTEBIXKC-MRVPVSSYSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1nc([C@H](C)Nc2ccc(F)cc2)cs1 ZINC000036914558 180053351 /nfs/dbraw/zinc/05/33/51/180053351.db2.gz MVSMPFVTEBIXKC-QMMMGPOBSA-N 0 0 236.315 3.764 20 0 BHADRN COc1cccc(N[C@H](C)c2csc(C)n2)c1 ZINC000036914601 175280238 /nfs/dbraw/zinc/28/02/38/175280238.db2.gz CORRZCDRVQBRID-SECBINFHSA-N 0 0 248.351 3.633 20 0 BHADRN COc1cccc(N[C@@H](C)c2csc(C)n2)c1 ZINC000036914602 175280277 /nfs/dbraw/zinc/28/02/77/175280277.db2.gz CORRZCDRVQBRID-VIFPVBQESA-N 0 0 248.351 3.633 20 0 BHADRN Cc1nc([C@H](C)Nc2ccc(C)cc2)cs1 ZINC000036914605 343327536 /nfs/dbraw/zinc/32/75/36/343327536.db2.gz LLSYUQPMFAMCEM-JTQLQIEISA-N 0 0 232.352 3.933 20 0 BHADRN Cc1nc([C@@H](C)Nc2ccc(C)cc2)cs1 ZINC000036914606 178777042 /nfs/dbraw/zinc/77/70/42/178777042.db2.gz LLSYUQPMFAMCEM-SNVBAGLBSA-N 0 0 232.352 3.933 20 0 BHADRN COc1ccc(N[C@H](C)c2csc(C)n2)cc1 ZINC000036914609 175155710 /nfs/dbraw/zinc/15/57/10/175155710.db2.gz MSMVFUARKCFQAP-SECBINFHSA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccc(N[C@@H](C)c2csc(C)n2)cc1 ZINC000036914610 175154052 /nfs/dbraw/zinc/15/40/52/175154052.db2.gz MSMVFUARKCFQAP-VIFPVBQESA-N 0 0 248.351 3.633 20 0 BHADRN Cc1nc([C@H](C)NCc2cccc(C)c2)cs1 ZINC000036915331 179097508 /nfs/dbraw/zinc/09/75/08/179097508.db2.gz SFRXVZJWBHUCSG-NSHDSACASA-N 0 0 246.379 3.611 20 0 BHADRN Cc1nc([C@@H](C)NCc2cccc(C)c2)cs1 ZINC000036915332 179099899 /nfs/dbraw/zinc/09/98/99/179099899.db2.gz SFRXVZJWBHUCSG-LLVKDONJSA-N 0 0 246.379 3.611 20 0 BHADRN CCC[C@@H](C)CNc1cccc(COC)c1 ZINC000036917878 387871115 /nfs/dbraw/zinc/87/11/15/387871115.db2.gz GQAMKERJSZKTTR-GFCCVEGCSA-N 0 0 221.344 3.681 20 0 BHADRN CCC[C@H](C)CNc1cccc(COC)c1 ZINC000036917879 387870984 /nfs/dbraw/zinc/87/09/84/387870984.db2.gz GQAMKERJSZKTTR-LBPRGKRZSA-N 0 0 221.344 3.681 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cccc(COC)c1 ZINC000036917894 387871723 /nfs/dbraw/zinc/87/17/23/387871723.db2.gz BOJYTRNUSDBESA-VXGBXAGGSA-N 0 0 221.344 3.680 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cccc(COC)c1 ZINC000036917895 387871397 /nfs/dbraw/zinc/87/13/97/387871397.db2.gz BOJYTRNUSDBESA-NWDGAFQWSA-N 0 0 221.344 3.680 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cccc(COC)c1 ZINC000036917896 387871121 /nfs/dbraw/zinc/87/11/21/387871121.db2.gz BOJYTRNUSDBESA-NEPJUHHUSA-N 0 0 221.344 3.680 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cccc(COC)c1 ZINC000036917897 387870919 /nfs/dbraw/zinc/87/09/19/387870919.db2.gz BOJYTRNUSDBESA-RYUDHWBXSA-N 0 0 221.344 3.680 20 0 BHADRN COCc1cccc(NC[C@H]2CC=CCC2)c1 ZINC000036917909 387871679 /nfs/dbraw/zinc/87/16/79/387871679.db2.gz LFONTLWCQMWJSJ-ZDUSSCGKSA-N 0 0 231.339 3.601 20 0 BHADRN COCc1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000036917910 262907690 /nfs/dbraw/zinc/90/76/90/262907690.db2.gz LFONTLWCQMWJSJ-CYBMUJFWSA-N 0 0 231.339 3.601 20 0 BHADRN COCc1cccc(NCc2ccc(C)s2)c1 ZINC000036917913 343327692 /nfs/dbraw/zinc/32/76/92/343327692.db2.gz AHOYYXLFCUXFSV-UHFFFAOYSA-N 0 0 247.363 3.815 20 0 BHADRN COCc1cccc(NCc2ccc(F)cc2)c1 ZINC000036917973 358464401 /nfs/dbraw/zinc/46/44/01/358464401.db2.gz VWZKKMPQFQFZSE-UHFFFAOYSA-N 0 0 245.297 3.584 20 0 BHADRN COCc1cccc(NCc2cccc(F)c2)c1 ZINC000036917986 358464208 /nfs/dbraw/zinc/46/42/08/358464208.db2.gz QGAPCVVDZCQZSO-UHFFFAOYSA-N 0 0 245.297 3.584 20 0 BHADRN COCc1cccc(NCc2ccccc2C)c1 ZINC000036917989 262907704 /nfs/dbraw/zinc/90/77/04/262907704.db2.gz CYKPGKUOBKSVDM-UHFFFAOYSA-N 0 0 241.334 3.754 20 0 BHADRN COCc1cccc(NCc2ccc(C)cc2)c1 ZINC000036917990 174632072 /nfs/dbraw/zinc/63/20/72/174632072.db2.gz FARPFVRHYJHETK-UHFFFAOYSA-N 0 0 241.334 3.754 20 0 BHADRN COCc1cccc(NCc2cccc(C)c2)c1 ZINC000036917992 343327568 /nfs/dbraw/zinc/32/75/68/343327568.db2.gz QILGGDSIFDHOIW-UHFFFAOYSA-N 0 0 241.334 3.754 20 0 BHADRN COCc1cccc(NC2CCC(C)CC2)c1 ZINC000036917999 262907626 /nfs/dbraw/zinc/90/76/26/262907626.db2.gz OGMHHGBZWODAPM-UHFFFAOYSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(NC2CCCCCC2)c1 ZINC000036918000 262907625 /nfs/dbraw/zinc/90/76/25/262907625.db2.gz RJCFGOXAZMEXOS-UHFFFAOYSA-N 0 0 233.355 3.968 20 0 BHADRN COCc1cccc(N[C@H]2CCCC[C@H]2C)c1 ZINC000036918011 387871323 /nfs/dbraw/zinc/87/13/23/387871323.db2.gz XRESHRCUGHDNLC-DOMZBBRYSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(N[C@H]2CCCC[C@@H]2C)c1 ZINC000036918012 387870471 /nfs/dbraw/zinc/87/04/71/387870471.db2.gz XRESHRCUGHDNLC-WFASDCNBSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(N[C@@H]2CCCC[C@H]2C)c1 ZINC000036918013 387871634 /nfs/dbraw/zinc/87/16/34/387871634.db2.gz XRESHRCUGHDNLC-IUODEOHRSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(N[C@@H]2CCCC[C@@H]2C)c1 ZINC000036918014 387871613 /nfs/dbraw/zinc/87/16/13/387871613.db2.gz XRESHRCUGHDNLC-SWLSCSKDSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(N[C@H]2CCC[C@@H](C)C2)c1 ZINC000036918019 387870942 /nfs/dbraw/zinc/87/09/42/387870942.db2.gz ZKPZTUDJZULBTC-OCCSQVGLSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(N[C@H]2CCC[C@H](C)C2)c1 ZINC000036918020 387871407 /nfs/dbraw/zinc/87/14/07/387871407.db2.gz ZKPZTUDJZULBTC-JSGCOSHPSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000036918021 262907920 /nfs/dbraw/zinc/90/79/20/262907920.db2.gz ZKPZTUDJZULBTC-TZMCWYRMSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(N[C@@H]2CCC[C@H](C)C2)c1 ZINC000036918022 387871145 /nfs/dbraw/zinc/87/11/45/387871145.db2.gz ZKPZTUDJZULBTC-GXTWGEPZSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(NCc2cccs2)c1 ZINC000036918033 358464093 /nfs/dbraw/zinc/46/40/93/358464093.db2.gz CGEAEPSFYOHXGB-UHFFFAOYSA-N 0 0 233.336 3.507 20 0 BHADRN COCc1cccc(NCc2sccc2C)c1 ZINC000036918041 343327546 /nfs/dbraw/zinc/32/75/46/343327546.db2.gz LITBJQUNFJFZKP-UHFFFAOYSA-N 0 0 247.363 3.815 20 0 BHADRN COCc1cccc(NCc2ccsc2)c1 ZINC000036918043 358464572 /nfs/dbraw/zinc/46/45/72/358464572.db2.gz SVSUUJFBAXHBDZ-UHFFFAOYSA-N 0 0 233.336 3.507 20 0 BHADRN CCC(CC)CNc1cccc(COC)c1 ZINC000036918044 322901923 /nfs/dbraw/zinc/90/19/23/322901923.db2.gz XNSCEYVZGUSZSI-UHFFFAOYSA-N 0 0 221.344 3.681 20 0 BHADRN COCc1cccc(NCC2CCCCC2)c1 ZINC000036918045 387871762 /nfs/dbraw/zinc/87/17/62/387871762.db2.gz CWMUMZKDCXDMIL-UHFFFAOYSA-N 0 0 233.355 3.825 20 0 BHADRN COCc1cccc(NC2CCCCC2)c1 ZINC000036918133 343327484 /nfs/dbraw/zinc/32/74/84/343327484.db2.gz ZEOLXJBZQXMCFF-UHFFFAOYSA-N 0 0 219.328 3.578 20 0 BHADRN COCc1cccc(N[C@H](C)CC(C)C)c1 ZINC000036918183 387871565 /nfs/dbraw/zinc/87/15/65/387871565.db2.gz CIIBLGDEJCSJOF-GFCCVEGCSA-N 0 0 221.344 3.680 20 0 BHADRN COCc1cccc(N[C@@H](C)CC(C)C)c1 ZINC000036918184 387871728 /nfs/dbraw/zinc/87/17/28/387871728.db2.gz CIIBLGDEJCSJOF-LBPRGKRZSA-N 0 0 221.344 3.680 20 0 BHADRN COCc1cccc(N[C@@H](C)c2ccco2)c1 ZINC000036918214 174632642 /nfs/dbraw/zinc/63/26/42/174632642.db2.gz WIBXAFOAKITPGI-NSHDSACASA-N 0 0 231.295 3.599 20 0 BHADRN COCc1cccc(N[C@H](C)c2ccco2)c1 ZINC000036918215 358464271 /nfs/dbraw/zinc/46/42/71/358464271.db2.gz WIBXAFOAKITPGI-LLVKDONJSA-N 0 0 231.295 3.599 20 0 BHADRN COCc1cccc(N[C@H](C)c2ccc(C)o2)c1 ZINC000036918230 358464450 /nfs/dbraw/zinc/46/44/50/358464450.db2.gz GULHZZCPEDVWGJ-GFCCVEGCSA-N 0 0 245.322 3.908 20 0 BHADRN COCc1cccc(N[C@@H](C)c2ccc(C)o2)c1 ZINC000036918231 174633203 /nfs/dbraw/zinc/63/32/03/174633203.db2.gz GULHZZCPEDVWGJ-LBPRGKRZSA-N 0 0 245.322 3.908 20 0 BHADRN COCc1cccc(NCc2ccccc2F)c1 ZINC000036918302 358464310 /nfs/dbraw/zinc/46/43/10/358464310.db2.gz PAHGAEQVBAHNRK-UHFFFAOYSA-N 0 0 245.297 3.584 20 0 BHADRN CC(C)Nc1cc(Cl)cc2cccnc21 ZINC000036918568 358056596 /nfs/dbraw/zinc/05/65/96/358056596.db2.gz APDKBNOKZFLOEI-UHFFFAOYSA-N 0 0 220.703 3.709 20 0 BHADRN Clc1cc2cccnc2c(NCC2CC2)c1 ZINC000036918577 358056306 /nfs/dbraw/zinc/05/63/06/358056306.db2.gz QEGOHTWZEMJMEA-UHFFFAOYSA-N 0 0 232.714 3.710 20 0 BHADRN CCC[C@@H](C)CNc1ccc(NC(C)=O)c(C)c1 ZINC000036919024 712515409 /nfs/dbraw/zinc/51/54/09/712515409.db2.gz GPLJWAOYPLVRAG-LLVKDONJSA-N 0 0 248.370 3.802 20 0 BHADRN CCC[C@H](C)CNc1ccc(NC(C)=O)c(C)c1 ZINC000036919025 712515487 /nfs/dbraw/zinc/51/54/87/712515487.db2.gz GPLJWAOYPLVRAG-NSHDSACASA-N 0 0 248.370 3.802 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc(NC(C)=O)c(C)c1 ZINC000036919030 712515515 /nfs/dbraw/zinc/51/55/15/712515515.db2.gz VPJUFTNZAQNNAD-ZYHUDNBSSA-N 0 0 248.370 3.800 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc(NC(C)=O)c(C)c1 ZINC000036919031 712515483 /nfs/dbraw/zinc/51/54/83/712515483.db2.gz VPJUFTNZAQNNAD-CMPLNLGQSA-N 0 0 248.370 3.800 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc(NC(C)=O)c(C)c1 ZINC000036919032 712515228 /nfs/dbraw/zinc/51/52/28/712515228.db2.gz VPJUFTNZAQNNAD-PWSUYJOCSA-N 0 0 248.370 3.800 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc(NC(C)=O)c(C)c1 ZINC000036919033 712515380 /nfs/dbraw/zinc/51/53/80/712515380.db2.gz VPJUFTNZAQNNAD-JQWIXIFHSA-N 0 0 248.370 3.800 20 0 BHADRN CCC(CC)CNc1ccc(NC(C)=O)c(C)c1 ZINC000036919110 712515391 /nfs/dbraw/zinc/51/53/91/712515391.db2.gz DCOPJQTYQSKZMU-UHFFFAOYSA-N 0 0 248.370 3.802 20 0 BHADRN CC(=O)Nc1ccc(NC2CCCCC2)cc1C ZINC000036919140 712515389 /nfs/dbraw/zinc/51/53/89/712515389.db2.gz SMJSCSFVKFQQEZ-UHFFFAOYSA-N 0 0 246.354 3.698 20 0 BHADRN CCC[C@@H](C)Nc1ccc(NC(C)=O)c(C)c1 ZINC000036919152 712515276 /nfs/dbraw/zinc/51/52/76/712515276.db2.gz MUWZXKCBWDAKLF-LLVKDONJSA-N 0 0 234.343 3.554 20 0 BHADRN CCC[C@H](C)Nc1ccc(NC(C)=O)c(C)c1 ZINC000036919153 712515466 /nfs/dbraw/zinc/51/54/66/712515466.db2.gz MUWZXKCBWDAKLF-NSHDSACASA-N 0 0 234.343 3.554 20 0 BHADRN CC(=O)Nc1ccc(N[C@@H](C)CC(C)C)cc1C ZINC000036919165 712515419 /nfs/dbraw/zinc/51/54/19/712515419.db2.gz OSRAUBYPJRDJOV-LBPRGKRZSA-N 0 0 248.370 3.800 20 0 BHADRN CC(=O)Nc1ccc(N[C@H](C)CC(C)C)cc1C ZINC000036919166 712515170 /nfs/dbraw/zinc/51/51/70/712515170.db2.gz OSRAUBYPJRDJOV-GFCCVEGCSA-N 0 0 248.370 3.800 20 0 BHADRN CCC(CC)Nc1ccc(NC(C)=O)c(C)c1 ZINC000036919177 712515430 /nfs/dbraw/zinc/51/54/30/712515430.db2.gz KDAYCHKVNKZDPZ-UHFFFAOYSA-N 0 0 234.343 3.554 20 0 BHADRN FC(F)Sc1ccc(NCC2CC2)cc1 ZINC000036919604 712515173 /nfs/dbraw/zinc/51/51/73/712515173.db2.gz VDRUPAUIAFBSER-UHFFFAOYSA-N 0 0 229.295 3.823 20 0 BHADRN COc1ccc(CNc2cccc(C)c2)cc1F ZINC000036923592 188286575 /nfs/dbraw/zinc/28/65/75/188286575.db2.gz 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BHADRN Cc1nnc(-c2ccccc2N[C@H](C)C(C)C)o1 ZINC000036932344 356336886 /nfs/dbraw/zinc/33/68/86/356336886.db2.gz HFOVPNNLJBAZPN-SNVBAGLBSA-N 0 0 245.326 3.501 20 0 BHADRN CCC(CC)Nc1ccccc1-c1nnc(C)o1 ZINC000036932353 342844337 /nfs/dbraw/zinc/84/43/37/342844337.db2.gz RORDAKZYQNSOPC-UHFFFAOYSA-N 0 0 245.326 3.646 20 0 BHADRN CC[C@@H](C)CNc1ccc2c(c1)OC(C)(C)O2 ZINC000036933750 712521297 /nfs/dbraw/zinc/52/12/97/712521297.db2.gz OLQLTAPLZGNVRU-SNVBAGLBSA-N 0 0 235.327 3.652 20 0 BHADRN CC[C@H](C)CNc1ccc2c(c1)OC(C)(C)O2 ZINC000036933751 712521064 /nfs/dbraw/zinc/52/10/64/712521064.db2.gz OLQLTAPLZGNVRU-JTQLQIEISA-N 0 0 235.327 3.652 20 0 BHADRN CC1(C)Oc2ccc(NC3CCCC3)cc2O1 ZINC000036933778 712521451 /nfs/dbraw/zinc/52/14/51/712521451.db2.gz PFVPBFJLRZJQHW-UHFFFAOYSA-N 0 0 233.311 3.548 20 0 BHADRN CC1(C)Oc2ccc(NC3CCCCC3)cc2O1 ZINC000036933837 712521331 /nfs/dbraw/zinc/52/13/31/712521331.db2.gz ZITSSDMKPQYHKK-UHFFFAOYSA-N 0 0 247.338 3.939 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc2c(c1)OC(C)(C)O2 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BHADRN CSc1ccccc1N[C@H](C)C(C)C ZINC000036957392 343328824 /nfs/dbraw/zinc/32/88/24/343328824.db2.gz CILFGRXQQXBPSO-SNVBAGLBSA-N 0 0 209.358 3.865 20 0 BHADRN CSc1ccccc1N[C@@H](C)C(C)C ZINC000036957393 343328777 /nfs/dbraw/zinc/32/87/77/343328777.db2.gz CILFGRXQQXBPSO-JTQLQIEISA-N 0 0 209.358 3.865 20 0 BHADRN CSc1ccccc1N[C@@H](C)C1CC1 ZINC000036957433 343328497 /nfs/dbraw/zinc/32/84/97/343328497.db2.gz HZAPTWYMKKNLOM-VIFPVBQESA-N 0 0 207.342 3.619 20 0 BHADRN CSc1ccccc1N[C@H](C)C1CC1 ZINC000036957434 343328792 /nfs/dbraw/zinc/32/87/92/343328792.db2.gz HZAPTWYMKKNLOM-SECBINFHSA-N 0 0 207.342 3.619 20 0 BHADRN CSc1ccccc1NC1CCSCC1 ZINC000036957547 343328781 /nfs/dbraw/zinc/32/87/81/343328781.db2.gz HQUNONJFPBOJLS-UHFFFAOYSA-N 0 0 239.409 3.716 20 0 BHADRN CC[C@@H](C)CNc1ccc(NC(=O)C(C)C)cc1 ZINC000036957855 384845440 /nfs/dbraw/zinc/84/54/40/384845440.db2.gz YAYHSNJOOYZWSM-GFCCVEGCSA-N 0 0 248.370 3.739 20 0 BHADRN CC[C@H](C)CNc1ccc(NC(=O)C(C)C)cc1 ZINC000036957856 384844624 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RFQOYHZWPBNLLG-CYBMUJFWSA-N 0 0 247.386 3.530 20 0 BHADRN CC[C@H](C)CNc1ccc(N2CCCCC2)nc1 ZINC000036983277 388552191 /nfs/dbraw/zinc/55/21/91/388552191.db2.gz RFQOYHZWPBNLLG-ZDUSSCGKSA-N 0 0 247.386 3.530 20 0 BHADRN Cc1ccc(NC(C2CC2)C2CC2)cc1F ZINC000036984069 358054659 /nfs/dbraw/zinc/05/46/59/358054659.db2.gz IPRMBIZPEAOPIM-UHFFFAOYSA-N 0 0 219.303 3.735 20 0 BHADRN c1csc(CNc2ccc3ccccc3n2)c1 ZINC000036984127 344485248 /nfs/dbraw/zinc/48/52/48/344485248.db2.gz JVNLGQJXZXLWFG-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN Cc1ccc(N[C@@H](C)C2(C)CC2)c(F)c1 ZINC000036984406 384470137 /nfs/dbraw/zinc/47/01/37/384470137.db2.gz ZHVULPUJJDQYLB-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc(N[C@H](C)C2(C)CC2)c(F)c1 ZINC000036984407 262965180 /nfs/dbraw/zinc/96/51/80/262965180.db2.gz ZHVULPUJJDQYLB-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc(Cl)c(OCc2cccc(N)c2)c1 ZINC000036985137 388557896 /nfs/dbraw/zinc/55/78/96/388557896.db2.gz VYQOXOFTDMFSRP-UHFFFAOYSA-N 0 0 247.725 3.810 20 0 BHADRN CCC[C@@H](C)Nc1ccc(N2CCCCC2)nc1 ZINC000036988634 386834327 /nfs/dbraw/zinc/83/43/27/386834327.db2.gz GHVMZYAWPVKPKS-CYBMUJFWSA-N 0 0 247.386 3.672 20 0 BHADRN CCC[C@H](C)Nc1ccc(N2CCCCC2)nc1 ZINC000036988636 262762744 /nfs/dbraw/zinc/76/27/44/262762744.db2.gz GHVMZYAWPVKPKS-ZDUSSCGKSA-N 0 0 247.386 3.672 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(N2CCCCC2)nc1 ZINC000036988644 388558755 /nfs/dbraw/zinc/55/87/55/388558755.db2.gz KUPXWKFHYDAJEQ-CYBMUJFWSA-N 0 0 247.386 3.528 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(N2CCCCC2)nc1 ZINC000036988646 388558252 /nfs/dbraw/zinc/55/82/52/388558252.db2.gz KUPXWKFHYDAJEQ-ZDUSSCGKSA-N 0 0 247.386 3.528 20 0 BHADRN CC1CCC(Nc2ccc3n[nH]cc3c2)CC1 ZINC000036989412 168166093 /nfs/dbraw/zinc/16/60/93/168166093.db2.gz NHQGCFNFSMDWKR-UHFFFAOYSA-N 0 0 229.327 3.554 20 0 BHADRN c1[nH]nc2ccc(NC3CCCCCC3)cc12 ZINC000036989413 388558127 /nfs/dbraw/zinc/55/81/27/388558127.db2.gz LXWXKMYYCUGGTE-UHFFFAOYSA-N 0 0 229.327 3.698 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Nc1ccc2n[nH]cc2c1 ZINC000036989420 176081530 /nfs/dbraw/zinc/08/15/30/176081530.db2.gz GSSLONXDEPKBHG-MFKMUULPSA-N 0 0 229.327 3.554 20 0 BHADRN C[C@H]1CCCC[C@@H]1Nc1ccc2n[nH]cc2c1 ZINC000036989421 177083690 /nfs/dbraw/zinc/08/36/90/177083690.db2.gz GSSLONXDEPKBHG-GWCFXTLKSA-N 0 0 229.327 3.554 20 0 BHADRN C[C@@H]1CCCC[C@H]1Nc1ccc2n[nH]cc2c1 ZINC000036989422 386845428 /nfs/dbraw/zinc/84/54/28/386845428.db2.gz GSSLONXDEPKBHG-ZWNOBZJWSA-N 0 0 229.327 3.554 20 0 BHADRN C[C@H]1CCCC[C@H]1Nc1ccc2n[nH]cc2c1 ZINC000036989423 177089296 /nfs/dbraw/zinc/08/92/96/177089296.db2.gz GSSLONXDEPKBHG-GXFFZTMASA-N 0 0 229.327 3.554 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000036989428 176144883 /nfs/dbraw/zinc/14/48/83/176144883.db2.gz IVHXQGSLNPBBNT-PWSUYJOCSA-N 0 0 229.327 3.554 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000036989429 177138489 /nfs/dbraw/zinc/13/84/89/177138489.db2.gz IVHXQGSLNPBBNT-JQWIXIFHSA-N 0 0 229.327 3.554 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000036989430 176124141 /nfs/dbraw/zinc/12/41/41/176124141.db2.gz IVHXQGSLNPBBNT-ZYHUDNBSSA-N 0 0 229.327 3.554 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000036989431 388558784 /nfs/dbraw/zinc/55/87/84/388558784.db2.gz IVHXQGSLNPBBNT-CMPLNLGQSA-N 0 0 229.327 3.554 20 0 BHADRN CC[C@@H](C)CNc1cnc2ccccc2c1 ZINC000036989812 388558098 /nfs/dbraw/zinc/55/80/98/388558098.db2.gz BJKBWXGGXSJYPS-LLVKDONJSA-N 0 0 214.312 3.693 20 0 BHADRN CC[C@H](C)CNc1cnc2ccccc2c1 ZINC000036989813 388558833 /nfs/dbraw/zinc/55/88/33/388558833.db2.gz BJKBWXGGXSJYPS-NSHDSACASA-N 0 0 214.312 3.693 20 0 BHADRN c1csc(CNc2cnc3ccccc3c2)c1 ZINC000036989894 358465202 /nfs/dbraw/zinc/46/52/02/358465202.db2.gz HQDLATSVNLRMHX-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN Cc1ccc(CNc2cnc3ccccc3c2)o1 ZINC000036989899 358465686 /nfs/dbraw/zinc/46/56/86/358465686.db2.gz DWVRZOVUBGGCCC-UHFFFAOYSA-N 0 0 238.290 3.748 20 0 BHADRN c1cc(CNc2cnc3ccccc3c2)cs1 ZINC000036989903 387558230 /nfs/dbraw/zinc/55/82/30/387558230.db2.gz WGUACEXXMPSVEZ-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN CCNc1ccccc1SCC(F)(F)F ZINC000036990229 538961462 /nfs/dbraw/zinc/96/14/62/538961462.db2.gz JJWQMSUUKWHSKD-UHFFFAOYSA-N 0 0 235.274 3.773 20 0 BHADRN CC[C@H](NCc1ccco1)c1ccccc1OC ZINC000036995039 358465357 /nfs/dbraw/zinc/46/53/57/358465357.db2.gz HBLSEKWFHUXCDO-AWEZNQCLSA-N 0 0 245.322 3.529 20 0 BHADRN CC[C@@H](NCc1ccco1)c1ccccc1OC ZINC000036995040 358465461 /nfs/dbraw/zinc/46/54/61/358465461.db2.gz HBLSEKWFHUXCDO-CQSZACIVSA-N 0 0 245.322 3.529 20 0 BHADRN CCCOc1cccc(NC2CCCC2)c1 ZINC000036995421 388565271 /nfs/dbraw/zinc/56/52/71/388565271.db2.gz PWBYSRXGGULIQV-UHFFFAOYSA-N 0 0 219.328 3.830 20 0 BHADRN CCCOc1cccc(NCc2ccco2)c1 ZINC000036995454 169325911 /nfs/dbraw/zinc/32/59/11/169325911.db2.gz OXXCTUIKYQWSMQ-UHFFFAOYSA-N 0 0 231.295 3.681 20 0 BHADRN CCCOc1cccc(NCC(C)C)c1 ZINC000036995455 384470559 /nfs/dbraw/zinc/47/05/59/384470559.db2.gz GMPDVGDKUCDPCZ-UHFFFAOYSA-N 0 0 207.317 3.543 20 0 BHADRN CCCOc1cccc(NCc2ccc(C)o2)c1 ZINC000036995456 388565124 /nfs/dbraw/zinc/56/51/24/388565124.db2.gz JNULYOSNIKYKOC-UHFFFAOYSA-N 0 0 245.322 3.989 20 0 BHADRN CCCOc1cccc(N[C@@H](C)C2CC2)c1 ZINC000036995572 388565209 /nfs/dbraw/zinc/56/52/09/388565209.db2.gz ZDAGCBAHQWIUHN-NSHDSACASA-N 0 0 219.328 3.686 20 0 BHADRN CCCOc1cccc(N[C@H](C)C2CC2)c1 ZINC000036995573 388565133 /nfs/dbraw/zinc/56/51/33/388565133.db2.gz ZDAGCBAHQWIUHN-LLVKDONJSA-N 0 0 219.328 3.686 20 0 BHADRN CCCCNc1cccc(OCCC)c1 ZINC000036995630 388565126 /nfs/dbraw/zinc/56/51/26/388565126.db2.gz BVFPFEKEIYAVBH-UHFFFAOYSA-N 0 0 207.317 3.687 20 0 BHADRN CC[C@@H](C)CNc1cccc(OC(F)F)c1 ZINC000037005930 322902313 /nfs/dbraw/zinc/90/23/13/322902313.db2.gz FSUNWPRORPCDIB-SECBINFHSA-N 0 0 229.270 3.746 20 0 BHADRN CC[C@H](C)CNc1cccc(OC(F)F)c1 ZINC000037005931 388575231 /nfs/dbraw/zinc/57/52/31/388575231.db2.gz FSUNWPRORPCDIB-VIFPVBQESA-N 0 0 229.270 3.746 20 0 BHADRN FC(F)Oc1cccc(NC2CCCC2)c1 ZINC000037006074 323151017 /nfs/dbraw/zinc/15/10/17/323151017.db2.gz WJKLTCNPMDEUGJ-UHFFFAOYSA-N 0 0 227.254 3.643 20 0 BHADRN FC(F)Oc1cccc(NCc2ccccc2)c1 ZINC000037006265 351558585 /nfs/dbraw/zinc/55/85/85/351558585.db2.gz GCSWMAUIIOBMCA-UHFFFAOYSA-N 0 0 249.260 3.900 20 0 BHADRN CCC[C@@H](C)Nc1cccc(OC(F)F)c1 ZINC000037006337 388575286 /nfs/dbraw/zinc/57/52/86/388575286.db2.gz BMGXYYYSMXGSAB-SECBINFHSA-N 0 0 229.270 3.889 20 0 BHADRN CCC[C@H](C)Nc1cccc(OC(F)F)c1 ZINC000037006338 388574656 /nfs/dbraw/zinc/57/46/56/388574656.db2.gz BMGXYYYSMXGSAB-VIFPVBQESA-N 0 0 229.270 3.889 20 0 BHADRN CC(C)[C@@H](C)Nc1cccc(OC(F)F)c1 ZINC000037006360 388574824 /nfs/dbraw/zinc/57/48/24/388574824.db2.gz QOZOPYODYVKQCL-SECBINFHSA-N 0 0 229.270 3.744 20 0 BHADRN CC(C)[C@H](C)Nc1cccc(OC(F)F)c1 ZINC000037006361 262975586 /nfs/dbraw/zinc/97/55/86/262975586.db2.gz QOZOPYODYVKQCL-VIFPVBQESA-N 0 0 229.270 3.744 20 0 BHADRN CCC(CC)Nc1cccc(OC(F)F)c1 ZINC000037006398 388576128 /nfs/dbraw/zinc/57/61/28/388576128.db2.gz VCBQOGQLSDDYBG-UHFFFAOYSA-N 0 0 229.270 3.889 20 0 BHADRN CCCCNc1cc(OC)ccc1OC(F)F ZINC000037007999 388575749 /nfs/dbraw/zinc/57/57/49/388575749.db2.gz AFUIUUQYRMBVNB-UHFFFAOYSA-N 0 0 245.269 3.509 20 0 BHADRN CC[C@@H](C)CNc1cc(-c2nnco2)ccc1C ZINC000037014080 343330433 /nfs/dbraw/zinc/33/04/33/343330433.db2.gz OHRAFBCZLIVKNU-SNVBAGLBSA-N 0 0 245.326 3.503 20 0 BHADRN CC[C@H](C)CNc1cc(-c2nnco2)ccc1C ZINC000037014081 171287814 /nfs/dbraw/zinc/28/78/14/171287814.db2.gz OHRAFBCZLIVKNU-JTQLQIEISA-N 0 0 245.326 3.503 20 0 BHADRN CC(C)Nc1ccc(OC2CCCC2)cc1 ZINC000037016082 712529189 /nfs/dbraw/zinc/52/91/89/712529189.db2.gz SGRCYAZCECOTBV-UHFFFAOYSA-N 0 0 219.328 3.828 20 0 BHADRN c1cc(OC2CCCC2)ccc1NCC1CC1 ZINC000037016126 711480318 /nfs/dbraw/zinc/48/03/18/711480318.db2.gz MMOLODHMDHCQHB-UHFFFAOYSA-N 0 0 231.339 3.830 20 0 BHADRN CCOC(=O)Nc1ccc(NC2CCCC2)cc1 ZINC000037018773 170244235 /nfs/dbraw/zinc/24/42/35/170244235.db2.gz BQAGATSKKZRRBM-UHFFFAOYSA-N 0 0 248.326 3.610 20 0 BHADRN Cc1ccc(Sc2cncc(Cl)n2)cc1 ZINC000037022618 385595622 /nfs/dbraw/zinc/59/56/22/385595622.db2.gz GECLGJBQCFYRAA-UHFFFAOYSA-N 0 0 236.727 3.590 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccccc1-n1cccn1 ZINC000037023809 324223156 /nfs/dbraw/zinc/22/31/56/324223156.db2.gz YEGNRGORWYQFJY-CHWSQXEVSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccccc1-n1cccn1 ZINC000037023811 324223149 /nfs/dbraw/zinc/22/31/49/324223149.db2.gz YEGNRGORWYQFJY-QWHCGFSZSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccccc1-n1cccn1 ZINC000037023813 324223223 /nfs/dbraw/zinc/22/32/23/324223223.db2.gz YEGNRGORWYQFJY-OLZOCXBDSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccccc1-n1cccn1 ZINC000037023815 324223203 /nfs/dbraw/zinc/22/32/03/324223203.db2.gz YEGNRGORWYQFJY-STQMWFEESA-N 0 0 243.354 3.719 20 0 BHADRN CCC(CC)CNc1ccccc1-n1cccn1 ZINC000037024248 324224108 /nfs/dbraw/zinc/22/41/08/324224108.db2.gz PLUAQKKRKJQVLQ-UHFFFAOYSA-N 0 0 243.354 3.720 20 0 BHADRN c1cnn(-c2ccccc2NC2CCCCC2)c1 ZINC000037024556 324223596 /nfs/dbraw/zinc/22/35/96/324223596.db2.gz MTSOEXDCLJSZML-UHFFFAOYSA-N 0 0 241.338 3.617 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccccc1-n1cccn1 ZINC000037024635 324224039 /nfs/dbraw/zinc/22/40/39/324224039.db2.gz PIRCIZZKRXQABM-CYBMUJFWSA-N 0 0 243.354 3.719 20 0 BHADRN CC(C)C[C@H](C)Nc1ccccc1-n1cccn1 ZINC000037024637 324224092 /nfs/dbraw/zinc/22/40/92/324224092.db2.gz PIRCIZZKRXQABM-ZDUSSCGKSA-N 0 0 243.354 3.719 20 0 BHADRN Cc1nc(-c2cccc(NCC3CC3)c2)cs1 ZINC000037047271 387560390 /nfs/dbraw/zinc/56/03/90/387560390.db2.gz MXSBAXDHBJNLES-UHFFFAOYSA-N 0 0 244.363 3.940 20 0 BHADRN CCCCC[C@@H](C)Nc1cccc(CO)c1 ZINC000037048263 712531289 /nfs/dbraw/zinc/53/12/89/712531289.db2.gz YSQLTGBXHVNWPK-GFCCVEGCSA-N 0 0 221.344 3.560 20 0 BHADRN CCCCC[C@H](C)Nc1cccc(CO)c1 ZINC000037048264 712531245 /nfs/dbraw/zinc/53/12/45/712531245.db2.gz YSQLTGBXHVNWPK-LBPRGKRZSA-N 0 0 221.344 3.560 20 0 BHADRN CCCC1CCC(Nc2cccc(CO)c2)CC1 ZINC000037048305 324227897 /nfs/dbraw/zinc/22/78/97/324227897.db2.gz XJWPXIBRGLFJID-UHFFFAOYSA-N 0 0 247.382 3.950 20 0 BHADRN OCc1cccc(NC2CCCCCCC2)c1 ZINC000037048379 712531155 /nfs/dbraw/zinc/53/11/55/712531155.db2.gz SLHBHIWIDZFTRV-UHFFFAOYSA-N 0 0 233.355 3.704 20 0 BHADRN CCC1CCC(Nc2cccc(CO)c2)CC1 ZINC000037048380 324228425 /nfs/dbraw/zinc/22/84/25/324228425.db2.gz FLJWZVYGDJMIJY-UHFFFAOYSA-N 0 0 233.355 3.560 20 0 BHADRN CCCCCC[C@@H](C)Nc1cccc(CO)c1 ZINC000037048512 712531443 /nfs/dbraw/zinc/53/14/43/712531443.db2.gz DLOGRMWTAQXLFI-CYBMUJFWSA-N 0 0 235.371 3.950 20 0 BHADRN CCCCCC[C@H](C)Nc1cccc(CO)c1 ZINC000037048513 712531051 /nfs/dbraw/zinc/53/10/51/712531051.db2.gz DLOGRMWTAQXLFI-ZDUSSCGKSA-N 0 0 235.371 3.950 20 0 BHADRN CC[C@@H](C)C[C@@H](CC)Nc1cccc(CO)c1 ZINC000037048519 324227973 /nfs/dbraw/zinc/22/79/73/324227973.db2.gz PRVPATZXWFDYAC-TZMCWYRMSA-N 0 0 235.371 3.806 20 0 BHADRN CC[C@H](C[C@@H](C)CC)Nc1cccc(CO)c1 ZINC000037048520 324228421 /nfs/dbraw/zinc/22/84/21/324228421.db2.gz PRVPATZXWFDYAC-GXTWGEPZSA-N 0 0 235.371 3.806 20 0 BHADRN CC[C@@H](C)C[C@H](CC)Nc1cccc(CO)c1 ZINC000037048521 324227497 /nfs/dbraw/zinc/22/74/97/324227497.db2.gz PRVPATZXWFDYAC-OCCSQVGLSA-N 0 0 235.371 3.806 20 0 BHADRN CC[C@H](C)C[C@H](CC)Nc1cccc(CO)c1 ZINC000037048522 324228095 /nfs/dbraw/zinc/22/80/95/324228095.db2.gz PRVPATZXWFDYAC-JSGCOSHPSA-N 0 0 235.371 3.806 20 0 BHADRN CCCC(CCC)Nc1cccc(CO)c1 ZINC000037048531 324228200 /nfs/dbraw/zinc/22/82/00/324228200.db2.gz CDXNGQJAVCTNKH-UHFFFAOYSA-N 0 0 221.344 3.560 20 0 BHADRN Cc1ccccc1[C@@H](C)Nc1cccc(CO)c1 ZINC000037048564 179322762 /nfs/dbraw/zinc/32/27/62/179322762.db2.gz LHTBIBZKRIEWCG-CYBMUJFWSA-N 0 0 241.334 3.660 20 0 BHADRN Cc1ccccc1[C@H](C)Nc1cccc(CO)c1 ZINC000037048565 179340558 /nfs/dbraw/zinc/34/05/58/179340558.db2.gz LHTBIBZKRIEWCG-ZDUSSCGKSA-N 0 0 241.334 3.660 20 0 BHADRN CC[C@H](Nc1cccc(CO)c1)c1ccccc1 ZINC000037048641 343332174 /nfs/dbraw/zinc/33/21/74/343332174.db2.gz WLGCTUJTLLMWFG-INIZCTEOSA-N 0 0 241.334 3.742 20 0 BHADRN CC[C@@H](Nc1cccc(CO)c1)c1ccccc1 ZINC000037048642 170915959 /nfs/dbraw/zinc/91/59/59/170915959.db2.gz WLGCTUJTLLMWFG-MRXNPFEDSA-N 0 0 241.334 3.742 20 0 BHADRN COc1cc(C)c(NC2CCCCC2)cc1OC ZINC000037056819 712531964 /nfs/dbraw/zinc/53/19/64/712531964.db2.gz BMHXDQWDMUYKBW-UHFFFAOYSA-N 0 0 249.354 3.757 20 0 BHADRN CCC(CC)Nc1cc(OC)c(OC)cc1C ZINC000037056857 712531647 /nfs/dbraw/zinc/53/16/47/712531647.db2.gz AVZRKFLFYJTSQZ-UHFFFAOYSA-N 0 0 237.343 3.613 20 0 BHADRN CCOc1ccc(NC[C@H](C)CC)cc1OC ZINC000037057615 712531721 /nfs/dbraw/zinc/53/17/21/712531721.db2.gz REQCJJOIRVGMPP-LLVKDONJSA-N 0 0 237.343 3.552 20 0 BHADRN CCOc1ccc(NC[C@@H](C)CC)cc1OC ZINC000037057616 712531857 /nfs/dbraw/zinc/53/18/57/712531857.db2.gz REQCJJOIRVGMPP-NSHDSACASA-N 0 0 237.343 3.552 20 0 BHADRN CCOc1ccc(NC2CCCCC2)cc1OC ZINC000037057685 712531933 /nfs/dbraw/zinc/53/19/33/712531933.db2.gz UOVLRILYXWQEIU-UHFFFAOYSA-N 0 0 249.354 3.839 20 0 BHADRN CCOc1ccc(N[C@@H](C)C(C)C)cc1OC ZINC000037057705 712531955 /nfs/dbraw/zinc/53/19/55/712531955.db2.gz SUOHNPUJAUVTOK-NSHDSACASA-N 0 0 237.343 3.550 20 0 BHADRN CCOc1ccc(N[C@H](C)C(C)C)cc1OC ZINC000037057706 712531678 /nfs/dbraw/zinc/53/16/78/712531678.db2.gz SUOHNPUJAUVTOK-LLVKDONJSA-N 0 0 237.343 3.550 20 0 BHADRN CCOc1ccc(NC(CC)CC)cc1OC ZINC000037057721 711480049 /nfs/dbraw/zinc/48/00/49/711480049.db2.gz CYSLAOQXOGRWDR-UHFFFAOYSA-N 0 0 237.343 3.694 20 0 BHADRN CCC[C@@H](C)CNc1ccc(NC(=O)CC)cc1 ZINC000037068053 324243652 /nfs/dbraw/zinc/24/36/52/324243652.db2.gz FJBZZCKTZZVEBQ-GFCCVEGCSA-N 0 0 248.370 3.883 20 0 BHADRN CCC[C@H](C)CNc1ccc(NC(=O)CC)cc1 ZINC000037068055 324244043 /nfs/dbraw/zinc/24/40/43/324244043.db2.gz FJBZZCKTZZVEBQ-LBPRGKRZSA-N 0 0 248.370 3.883 20 0 BHADRN CCC(=O)Nc1ccc(N[C@H](C)[C@H](C)CC)cc1 ZINC000037068065 383935211 /nfs/dbraw/zinc/93/52/11/383935211.db2.gz UXODRXAOHDRNCT-VXGBXAGGSA-N 0 0 248.370 3.882 20 0 BHADRN CCC(=O)Nc1ccc(N[C@H](C)[C@@H](C)CC)cc1 ZINC000037068067 188286654 /nfs/dbraw/zinc/28/66/54/188286654.db2.gz UXODRXAOHDRNCT-NWDGAFQWSA-N 0 0 248.370 3.882 20 0 BHADRN CCC(=O)Nc1ccc(N[C@@H](C)[C@H](C)CC)cc1 ZINC000037068069 383934704 /nfs/dbraw/zinc/93/47/04/383934704.db2.gz UXODRXAOHDRNCT-NEPJUHHUSA-N 0 0 248.370 3.882 20 0 BHADRN CCC(=O)Nc1ccc(N[C@@H](C)[C@@H](C)CC)cc1 ZINC000037068071 383935919 /nfs/dbraw/zinc/93/59/19/383935919.db2.gz UXODRXAOHDRNCT-RYUDHWBXSA-N 0 0 248.370 3.882 20 0 BHADRN CCC(=O)Nc1ccc(NCC(CC)CC)cc1 ZINC000037068232 324243868 /nfs/dbraw/zinc/24/38/68/324243868.db2.gz DTPOKPXMFUTIBJ-UHFFFAOYSA-N 0 0 248.370 3.883 20 0 BHADRN CCC(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000037068298 188113285 /nfs/dbraw/zinc/11/32/85/188113285.db2.gz GAXGCPIUVOGTNP-UHFFFAOYSA-N 0 0 246.354 3.780 20 0 BHADRN CCC[C@@H](C)Nc1ccc(NC(=O)CC)cc1 ZINC000037068322 169372148 /nfs/dbraw/zinc/37/21/48/169372148.db2.gz YRFCPXQNDLUKJT-LLVKDONJSA-N 0 0 234.343 3.636 20 0 BHADRN CCC[C@H](C)Nc1ccc(NC(=O)CC)cc1 ZINC000037068325 383935189 /nfs/dbraw/zinc/93/51/89/383935189.db2.gz YRFCPXQNDLUKJT-NSHDSACASA-N 0 0 234.343 3.636 20 0 BHADRN CCC(=O)Nc1ccc(N[C@@H](C)CC(C)C)cc1 ZINC000037068349 343332643 /nfs/dbraw/zinc/33/26/43/343332643.db2.gz NLRRBZZSSZNKBE-LBPRGKRZSA-N 0 0 248.370 3.882 20 0 BHADRN CCC(=O)Nc1ccc(N[C@H](C)CC(C)C)cc1 ZINC000037068351 188113416 /nfs/dbraw/zinc/11/34/16/188113416.db2.gz NLRRBZZSSZNKBE-GFCCVEGCSA-N 0 0 248.370 3.882 20 0 BHADRN CCC(=O)Nc1ccc(NC(CC)CC)cc1 ZINC000037068373 219819417 /nfs/dbraw/zinc/81/94/17/219819417.db2.gz GPIMZGMUBVOUGC-UHFFFAOYSA-N 0 0 234.343 3.636 20 0 BHADRN Fc1cc(NCc2ccco2)ccc1Cl ZINC000037069934 180954980 /nfs/dbraw/zinc/95/49/80/180954980.db2.gz RUZCBOVCOXZLFJ-UHFFFAOYSA-N 0 0 225.650 3.684 20 0 BHADRN CC(C)CNc1ccc(Cl)c(F)c1 ZINC000037069936 167016808 /nfs/dbraw/zinc/01/68/08/167016808.db2.gz LCQLXHMFKVTNON-UHFFFAOYSA-N 0 0 201.672 3.547 20 0 BHADRN Cc1ccc(CNc2ccc(Cl)c(F)c2)o1 ZINC000037069937 358467980 /nfs/dbraw/zinc/46/79/80/358467980.db2.gz QFTXOPRBDAQJET-UHFFFAOYSA-N 0 0 239.677 3.993 20 0 BHADRN CCCCNc1ccc(Cl)c(F)c1 ZINC000037070255 383934922 /nfs/dbraw/zinc/93/49/22/383934922.db2.gz YFEPGKCRWXHBQH-UHFFFAOYSA-N 0 0 201.672 3.691 20 0 BHADRN CC[C@@H](C)CNc1cccc(NC(=O)C(C)C)c1 ZINC000037084915 343333440 /nfs/dbraw/zinc/33/34/40/343333440.db2.gz ZRFJYJRUOKJDRG-GFCCVEGCSA-N 0 0 248.370 3.739 20 0 BHADRN CC[C@H](C)CNc1cccc(NC(=O)C(C)C)c1 ZINC000037084917 171289225 /nfs/dbraw/zinc/28/92/25/171289225.db2.gz ZRFJYJRUOKJDRG-LBPRGKRZSA-N 0 0 248.370 3.739 20 0 BHADRN CC(C)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000037084932 187423169 /nfs/dbraw/zinc/42/31/69/187423169.db2.gz BRDVZZRVXXIWOW-UHFFFAOYSA-N 0 0 246.354 3.636 20 0 BHADRN CC(C)CCNc1cccc(NC(=O)C(C)C)c1 ZINC000037084981 383934651 /nfs/dbraw/zinc/93/46/51/383934651.db2.gz XIYROQMLWFSVMX-UHFFFAOYSA-N 0 0 248.370 3.739 20 0 BHADRN CC(C)C(=O)Nc1cccc(N[C@H](C)C(C)C)c1 ZINC000037085033 219819779 /nfs/dbraw/zinc/81/97/79/219819779.db2.gz QPXPVWWMRZJVAV-GFCCVEGCSA-N 0 0 248.370 3.738 20 0 BHADRN CC(C)C(=O)Nc1cccc(N[C@@H](C)C(C)C)c1 ZINC000037085034 188286013 /nfs/dbraw/zinc/28/60/13/188286013.db2.gz QPXPVWWMRZJVAV-LBPRGKRZSA-N 0 0 248.370 3.738 20 0 BHADRN CCC(CC)Nc1cccc(NC(=O)C(C)C)c1 ZINC000037085046 168393748 /nfs/dbraw/zinc/39/37/48/168393748.db2.gz HHNACOLHHOERRY-UHFFFAOYSA-N 0 0 248.370 3.882 20 0 BHADRN CCC[C@@H](C)CNc1ccccc1N(C)C ZINC000037085947 324260240 /nfs/dbraw/zinc/26/02/40/324260240.db2.gz KCWJUDLWFPZQJV-GFCCVEGCSA-N 0 0 220.360 3.601 20 0 BHADRN CCC[C@H](C)CNc1ccccc1N(C)C ZINC000037085948 324260467 /nfs/dbraw/zinc/26/04/67/324260467.db2.gz KCWJUDLWFPZQJV-LBPRGKRZSA-N 0 0 220.360 3.601 20 0 BHADRN CN(C)c1ccccc1NC[C@H]1CC=CCC1 ZINC000037085969 172572568 /nfs/dbraw/zinc/57/25/68/172572568.db2.gz DWDYMXJAKQXKER-ZDUSSCGKSA-N 0 0 230.355 3.521 20 0 BHADRN CN(C)c1ccccc1NC[C@@H]1CC=CCC1 ZINC000037085970 172572885 /nfs/dbraw/zinc/57/28/85/172572885.db2.gz DWDYMXJAKQXKER-CYBMUJFWSA-N 0 0 230.355 3.521 20 0 BHADRN CC1CCC(Nc2ccccc2N(C)C)CC1 ZINC000037086033 168165449 /nfs/dbraw/zinc/16/54/49/168165449.db2.gz VHBJALRTJXNBJY-UHFFFAOYSA-N 0 0 232.371 3.743 20 0 BHADRN CN(C)c1ccccc1NC1CCCCCC1 ZINC000037086034 172572069 /nfs/dbraw/zinc/57/20/69/172572069.db2.gz JCOYEPOYMIWKTQ-UHFFFAOYSA-N 0 0 232.371 3.887 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Nc1ccccc1N(C)C ZINC000037086045 324260143 /nfs/dbraw/zinc/26/01/43/324260143.db2.gz MZDOSCJMUCITDN-OLZOCXBDSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@H]1CCCC[C@@H]1Nc1ccccc1N(C)C ZINC000037086046 324260618 /nfs/dbraw/zinc/26/06/18/324260618.db2.gz MZDOSCJMUCITDN-STQMWFEESA-N 0 0 232.371 3.743 20 0 BHADRN C[C@@H]1CCCC[C@H]1Nc1ccccc1N(C)C ZINC000037086047 324260476 /nfs/dbraw/zinc/26/04/76/324260476.db2.gz MZDOSCJMUCITDN-CHWSQXEVSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@H]1CCCC[C@H]1Nc1ccccc1N(C)C ZINC000037086048 323169324 /nfs/dbraw/zinc/16/93/24/323169324.db2.gz MZDOSCJMUCITDN-QWHCGFSZSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ccccc2N(C)C)C1 ZINC000037086053 324260298 /nfs/dbraw/zinc/26/02/98/324260298.db2.gz PWELKVVABCMVTR-OLZOCXBDSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ccccc2N(C)C)C1 ZINC000037086054 324260320 /nfs/dbraw/zinc/26/03/20/324260320.db2.gz PWELKVVABCMVTR-STQMWFEESA-N 0 0 232.371 3.743 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ccccc2N(C)C)C1 ZINC000037086055 324260212 /nfs/dbraw/zinc/26/02/12/324260212.db2.gz PWELKVVABCMVTR-CHWSQXEVSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ccccc2N(C)C)C1 ZINC000037086056 324260595 /nfs/dbraw/zinc/26/05/95/324260595.db2.gz PWELKVVABCMVTR-QWHCGFSZSA-N 0 0 232.371 3.743 20 0 BHADRN CCC(CC)CNc1ccccc1N(C)C ZINC000037086073 324260429 /nfs/dbraw/zinc/26/04/29/324260429.db2.gz QPOMFXWZHVDVNS-UHFFFAOYSA-N 0 0 220.360 3.601 20 0 BHADRN CN(C)c1ccccc1NCC1CCCCC1 ZINC000037086074 324260301 /nfs/dbraw/zinc/26/03/01/324260301.db2.gz SXTLSDIYIDRUKL-UHFFFAOYSA-N 0 0 232.371 3.745 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccccc1N(C)C ZINC000037086195 324260504 /nfs/dbraw/zinc/26/05/04/324260504.db2.gz IXLGHALJHLKOIB-GFCCVEGCSA-N 0 0 220.360 3.599 20 0 BHADRN CC(C)C[C@H](C)Nc1ccccc1N(C)C ZINC000037086196 324260345 /nfs/dbraw/zinc/26/03/45/324260345.db2.gz IXLGHALJHLKOIB-LBPRGKRZSA-N 0 0 220.360 3.599 20 0 BHADRN CC(C)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000037087025 712533088 /nfs/dbraw/zinc/53/30/88/712533088.db2.gz LGNNPYXIRDBBNB-UHFFFAOYSA-N 0 0 227.735 3.948 20 0 BHADRN CC(C)Oc1ccc(NCC2CC2)cc1Cl ZINC000037087030 712532873 /nfs/dbraw/zinc/53/28/73/712532873.db2.gz AJADZADDUKRMNT-UHFFFAOYSA-N 0 0 239.746 3.949 20 0 BHADRN CCNc1ccc(OC(C)C)c(Cl)c1 ZINC000037087033 712533024 /nfs/dbraw/zinc/53/30/24/712533024.db2.gz NCVSWHPUTXIOIG-UHFFFAOYSA-N 0 0 213.708 3.559 20 0 BHADRN CCCCC[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000037089632 324261131 /nfs/dbraw/zinc/26/11/31/324261131.db2.gz VAQLHZXODGWJRG-NSHDSACASA-N 0 0 239.334 3.675 20 0 BHADRN CCCCC[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000037089633 324261146 /nfs/dbraw/zinc/26/11/46/324261146.db2.gz VAQLHZXODGWJRG-LLVKDONJSA-N 0 0 239.334 3.675 20 0 BHADRN Cc1ccc(Br)cc1NCC1CC1 ZINC000037091482 178362243 /nfs/dbraw/zinc/36/22/43/178362243.db2.gz MGJMVZZMEOBHLJ-UHFFFAOYSA-N 0 0 240.144 3.579 20 0 BHADRN CCCCNc1cc(Br)ccc1C ZINC000037091493 712535821 /nfs/dbraw/zinc/53/58/21/712535821.db2.gz IENJFYDNGODAEN-UHFFFAOYSA-N 0 0 242.160 3.970 20 0 BHADRN CCOc1cc(NC[C@H](C)CC)ccc1OC ZINC000037091686 712535780 /nfs/dbraw/zinc/53/57/80/712535780.db2.gz VMIDMZSYTRGYBE-LLVKDONJSA-N 0 0 237.343 3.552 20 0 BHADRN CCOc1cc(NC[C@@H](C)CC)ccc1OC ZINC000037091687 712536078 /nfs/dbraw/zinc/53/60/78/712536078.db2.gz VMIDMZSYTRGYBE-NSHDSACASA-N 0 0 237.343 3.552 20 0 BHADRN CCOc1cc(NC2CCCCC2)ccc1OC ZINC000037091785 712535786 /nfs/dbraw/zinc/53/57/86/712535786.db2.gz NPFARJIHBXVYDU-UHFFFAOYSA-N 0 0 249.354 3.839 20 0 BHADRN CCC[C@@H](C)Nc1ccc(OC)c(OCC)c1 ZINC000037091797 712535793 /nfs/dbraw/zinc/53/57/93/712535793.db2.gz WKEKMXRVZJBHJO-LLVKDONJSA-N 0 0 237.343 3.694 20 0 BHADRN CCC[C@H](C)Nc1ccc(OC)c(OCC)c1 ZINC000037091798 712535884 /nfs/dbraw/zinc/53/58/84/712535884.db2.gz WKEKMXRVZJBHJO-NSHDSACASA-N 0 0 237.343 3.694 20 0 BHADRN CCOc1cc(N[C@@H](C)C(C)C)ccc1OC ZINC000037091806 712535935 /nfs/dbraw/zinc/53/59/35/712535935.db2.gz LJDPBCRIIVDUAN-NSHDSACASA-N 0 0 237.343 3.550 20 0 BHADRN CCOc1cc(N[C@H](C)C(C)C)ccc1OC ZINC000037091807 712536237 /nfs/dbraw/zinc/53/62/37/712536237.db2.gz LJDPBCRIIVDUAN-LLVKDONJSA-N 0 0 237.343 3.550 20 0 BHADRN CCOc1cc(NC(CC)CC)ccc1OC ZINC000037091822 712535890 /nfs/dbraw/zinc/53/58/90/712535890.db2.gz MJJWACSNNZLOGH-UHFFFAOYSA-N 0 0 237.343 3.694 20 0 BHADRN CCOc1cc(F)ccc1NC1CCCC1 ZINC000037091971 324263114 /nfs/dbraw/zinc/26/31/14/324263114.db2.gz MOMMNVSPSHCOCE-UHFFFAOYSA-N 0 0 223.291 3.579 20 0 BHADRN CCOc1cc(F)ccc1NCc1ccc(C)o1 ZINC000037092008 358467706 /nfs/dbraw/zinc/46/77/06/358467706.db2.gz LNEAWWRDBLNFKI-UHFFFAOYSA-N 0 0 249.285 3.738 20 0 BHADRN CCOc1cc(F)ccc1NCc1ccccc1 ZINC000037092064 363860900 /nfs/dbraw/zinc/86/09/00/363860900.db2.gz NFKVBMTXCAOOBZ-UHFFFAOYSA-N 0 0 245.297 3.837 20 0 BHADRN CCOc1cc(F)ccc1N[C@@H](C)C(C)C ZINC000037092107 324263255 /nfs/dbraw/zinc/26/32/55/324263255.db2.gz FUNGUBBTXCOISF-JTQLQIEISA-N 0 0 225.307 3.681 20 0 BHADRN CCOc1cc(F)ccc1N[C@H](C)C(C)C ZINC000037092108 324262978 /nfs/dbraw/zinc/26/29/78/324262978.db2.gz FUNGUBBTXCOISF-SNVBAGLBSA-N 0 0 225.307 3.681 20 0 BHADRN COC(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000037092348 712536285 /nfs/dbraw/zinc/53/62/85/712536285.db2.gz BESSIXYGBDSFQS-UHFFFAOYSA-N 0 0 248.326 3.610 20 0 BHADRN Cc1ccc(NC2CCCC2)c2cccnc12 ZINC000037101286 324269762 /nfs/dbraw/zinc/26/97/62/324269762.db2.gz GAZQPFVXVFSKDA-UHFFFAOYSA-N 0 0 226.323 3.898 20 0 BHADRN Cc1ccc(NCc2cccnc2)c2cccnc12 ZINC000037101308 342920071 /nfs/dbraw/zinc/92/00/71/342920071.db2.gz LCSSLYFBUGBCPM-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccc(NCc2ccco2)c2cccnc12 ZINC000037101309 358467514 /nfs/dbraw/zinc/46/75/14/358467514.db2.gz IMAXUPIHTOMFSJ-UHFFFAOYSA-N 0 0 238.290 3.748 20 0 BHADRN Cc1ccc(NCC(C)C)c2cccnc12 ZINC000037101311 324270024 /nfs/dbraw/zinc/27/00/24/324270024.db2.gz IXGCLGCBTBANBQ-UHFFFAOYSA-N 0 0 214.312 3.611 20 0 BHADRN Cc1ccc(NCc2ccncc2)c2cccnc12 ZINC000037101313 342920129 /nfs/dbraw/zinc/92/01/29/342920129.db2.gz DLSVZHKZVXGSBI-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccc(NCc2ccccn2)c2cccnc12 ZINC000037101335 342920162 /nfs/dbraw/zinc/92/01/62/342920162.db2.gz WUPIUFUNULTFTD-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccc(N[C@@H](C)C2CC2)c2cccnc12 ZINC000037101392 324269648 /nfs/dbraw/zinc/26/96/48/324269648.db2.gz KVOCWICXYQUGDN-NSHDSACASA-N 0 0 226.323 3.754 20 0 BHADRN Cc1ccc(N[C@H](C)C2CC2)c2cccnc12 ZINC000037101393 324270274 /nfs/dbraw/zinc/27/02/74/324270274.db2.gz KVOCWICXYQUGDN-LLVKDONJSA-N 0 0 226.323 3.754 20 0 BHADRN CC[C@@H](C)CNc1ccc(N2CCCC2)cc1 ZINC000037102246 712539380 /nfs/dbraw/zinc/53/93/80/712539380.db2.gz BEQQKURIFZORGZ-CYBMUJFWSA-N 0 0 232.371 3.745 20 0 BHADRN CC[C@H](C)CNc1ccc(N2CCCC2)cc1 ZINC000037102247 712539219 /nfs/dbraw/zinc/53/92/19/712539219.db2.gz BEQQKURIFZORGZ-ZDUSSCGKSA-N 0 0 232.371 3.745 20 0 BHADRN c1cc(N2CCCC2)ccc1NC1CCCC1 ZINC000037102263 712539023 /nfs/dbraw/zinc/53/90/23/712539023.db2.gz VFGIISSKUKWHKN-UHFFFAOYSA-N 0 0 230.355 3.641 20 0 BHADRN CCC[C@@H](C)Nc1ccc(N2CCCC2)cc1 ZINC000037102320 712539044 /nfs/dbraw/zinc/53/90/44/712539044.db2.gz PUTXGRDTBRCADK-CYBMUJFWSA-N 0 0 232.371 3.887 20 0 BHADRN CCC[C@H](C)Nc1ccc(N2CCCC2)cc1 ZINC000037102321 712539010 /nfs/dbraw/zinc/53/90/10/712539010.db2.gz PUTXGRDTBRCADK-ZDUSSCGKSA-N 0 0 232.371 3.887 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(N2CCCC2)cc1 ZINC000037102328 167385643 /nfs/dbraw/zinc/38/56/43/167385643.db2.gz LFKDQWQVLWAAGT-CYBMUJFWSA-N 0 0 232.371 3.743 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(N2CCCC2)cc1 ZINC000037102329 712539206 /nfs/dbraw/zinc/53/92/06/712539206.db2.gz LFKDQWQVLWAAGT-ZDUSSCGKSA-N 0 0 232.371 3.743 20 0 BHADRN Cc1ccc(CNc2ccc3c(c2)CCO3)s1 ZINC000037103569 178638459 /nfs/dbraw/zinc/63/84/59/178638459.db2.gz OYIIIFUSYALQPE-UHFFFAOYSA-N 0 0 245.347 3.604 20 0 BHADRN Cc1ccc(CNc2ccc3c(c2)CCO3)cc1 ZINC000037103639 712539343 /nfs/dbraw/zinc/53/93/43/712539343.db2.gz NLGLBJVUKPMTRK-UHFFFAOYSA-N 0 0 239.318 3.542 20 0 BHADRN CC1CCC(Nc2ccc3c(c2)CCO3)CC1 ZINC000037103647 712539131 /nfs/dbraw/zinc/53/91/31/712539131.db2.gz ZGNFSSVWQAJKFW-UHFFFAOYSA-N 0 0 231.339 3.612 20 0 BHADRN c1cc(NC2CCCCCC2)cc2c1OCC2 ZINC000037103648 712539276 /nfs/dbraw/zinc/53/92/76/712539276.db2.gz YFBUENIJZOCGAP-UHFFFAOYSA-N 0 0 231.339 3.756 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCO3)C1 ZINC000037103667 712539016 /nfs/dbraw/zinc/53/90/16/712539016.db2.gz JXCZTLPCPRLAQH-YPMHNXCESA-N 0 0 231.339 3.612 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ccc3c(c2)CCO3)C1 ZINC000037103668 712539053 /nfs/dbraw/zinc/53/90/53/712539053.db2.gz JXCZTLPCPRLAQH-AAEUAGOBSA-N 0 0 231.339 3.612 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCO3)C1 ZINC000037103669 712539193 /nfs/dbraw/zinc/53/91/93/712539193.db2.gz JXCZTLPCPRLAQH-DGCLKSJQSA-N 0 0 231.339 3.612 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCO3)C1 ZINC000037103670 712539090 /nfs/dbraw/zinc/53/90/90/712539090.db2.gz JXCZTLPCPRLAQH-WCQYABFASA-N 0 0 231.339 3.612 20 0 BHADRN Cc1ccsc1CNc1ccc2c(c1)CCO2 ZINC000037103689 343334189 /nfs/dbraw/zinc/33/41/89/343334189.db2.gz BYCSGIVGUPWUCR-UHFFFAOYSA-N 0 0 245.347 3.604 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCO2)c1cccs1 ZINC000037103830 176934467 /nfs/dbraw/zinc/93/44/67/176934467.db2.gz KQMZTZJHRGBOQP-JTQLQIEISA-N 0 0 245.347 3.856 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCO2)c1cccs1 ZINC000037103831 343334051 /nfs/dbraw/zinc/33/40/51/343334051.db2.gz KQMZTZJHRGBOQP-SNVBAGLBSA-N 0 0 245.347 3.856 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCO2)c1ccccc1 ZINC000037103868 712542321 /nfs/dbraw/zinc/54/23/21/712542321.db2.gz HZQHWYHQVZZPFN-LBPRGKRZSA-N 0 0 239.318 3.795 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCO2)c1ccccc1 ZINC000037103869 712542258 /nfs/dbraw/zinc/54/22/58/712542258.db2.gz HZQHWYHQVZZPFN-GFCCVEGCSA-N 0 0 239.318 3.795 20 0 BHADRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)CCO3)o1 ZINC000037103874 712542250 /nfs/dbraw/zinc/54/22/50/712542250.db2.gz ULIDAHUWBXOOJU-LLVKDONJSA-N 0 0 243.306 3.696 20 0 BHADRN Cc1ccc([C@H](C)Nc2ccc3c(c2)CCO3)o1 ZINC000037103875 712542076 /nfs/dbraw/zinc/54/20/76/712542076.db2.gz ULIDAHUWBXOOJU-NSHDSACASA-N 0 0 243.306 3.696 20 0 BHADRN CCCCCOc1ccc(F)cc1C(C)=O ZINC000037114365 322826888 /nfs/dbraw/zinc/82/68/88/322826888.db2.gz OVGQGDNUMMXLJE-UHFFFAOYSA-N 0 0 224.275 3.597 20 0 BHADRN Clc1ccc(Cl)c(NCC2CC2)c1 ZINC000037118240 343334696 /nfs/dbraw/zinc/33/46/96/343334696.db2.gz AFMVRZDDXWTVSR-UHFFFAOYSA-N 0 0 216.111 3.815 20 0 BHADRN Cc1ccc(NCC2CC2)c(Br)c1 ZINC000037118245 343334811 /nfs/dbraw/zinc/33/48/11/343334811.db2.gz OLWOYWASWWPNIM-UHFFFAOYSA-N 0 0 240.144 3.579 20 0 BHADRN CC(C)(C)c1ccc(NCC2CC2)cc1 ZINC000037118258 188113171 /nfs/dbraw/zinc/11/31/71/188113171.db2.gz MDYHYHFXUMRGNP-UHFFFAOYSA-N 0 0 203.329 3.806 20 0 BHADRN Cc1cc(Br)ccc1NCC1CC1 ZINC000037118260 343334759 /nfs/dbraw/zinc/33/47/59/343334759.db2.gz ZVKSNTFLKCUKLA-UHFFFAOYSA-N 0 0 240.144 3.579 20 0 BHADRN Cc1cc(NCC2CC2)ccc1Br ZINC000037118275 178158605 /nfs/dbraw/zinc/15/86/05/178158605.db2.gz WZZWIFRGCQPAKL-UHFFFAOYSA-N 0 0 240.144 3.579 20 0 BHADRN Clc1cc(Cl)cc(NCC2CC2)c1 ZINC000037118280 343334504 /nfs/dbraw/zinc/33/45/04/343334504.db2.gz IIZXUVMNUZKALR-UHFFFAOYSA-N 0 0 216.111 3.815 20 0 BHADRN CC[C@@H](C)CNc1ccc(-c2nnco2)cc1C ZINC000037119947 358066120 /nfs/dbraw/zinc/06/61/20/358066120.db2.gz FTFQXEOIPOGIFM-SNVBAGLBSA-N 0 0 245.326 3.503 20 0 BHADRN CC[C@H](C)CNc1ccc(-c2nnco2)cc1C ZINC000037119948 358066001 /nfs/dbraw/zinc/06/60/01/358066001.db2.gz FTFQXEOIPOGIFM-JTQLQIEISA-N 0 0 245.326 3.503 20 0 BHADRN Cc1cc(-c2nnco2)ccc1N[C@@H](C)C(C)C ZINC000037120024 358066402 /nfs/dbraw/zinc/06/64/02/358066402.db2.gz CTMPQTUIKIBRBX-NSHDSACASA-N 0 0 245.326 3.501 20 0 BHADRN Cc1cc(-c2nnco2)ccc1N[C@H](C)C(C)C ZINC000037120025 358066124 /nfs/dbraw/zinc/06/61/24/358066124.db2.gz CTMPQTUIKIBRBX-LLVKDONJSA-N 0 0 245.326 3.501 20 0 BHADRN CCC(CC)Nc1ccc(-c2nnco2)cc1C ZINC000037120034 358066376 /nfs/dbraw/zinc/06/63/76/358066376.db2.gz NFLLUGKBKKCYDC-UHFFFAOYSA-N 0 0 245.326 3.646 20 0 BHADRN CCC[C@@H](C)CNc1ccc(C)c(NC(C)=O)c1 ZINC000037120294 169360871 /nfs/dbraw/zinc/36/08/71/169360871.db2.gz FWJNYFWERYDKCI-LLVKDONJSA-N 0 0 248.370 3.802 20 0 BHADRN CCC[C@H](C)CNc1ccc(C)c(NC(C)=O)c1 ZINC000037120295 169483230 /nfs/dbraw/zinc/48/32/30/169483230.db2.gz FWJNYFWERYDKCI-NSHDSACASA-N 0 0 248.370 3.802 20 0 BHADRN CCCCCNc1ccc(C)c(NC(C)=O)c1 ZINC000037120299 168723124 /nfs/dbraw/zinc/72/31/24/168723124.db2.gz YZEVNYGYHPVULG-UHFFFAOYSA-N 0 0 234.343 3.556 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc(C)c(NC(C)=O)c1 ZINC000037120300 343334648 /nfs/dbraw/zinc/33/46/48/343334648.db2.gz ATJGQSZXMXQAJY-ZYHUDNBSSA-N 0 0 248.370 3.800 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc(C)c(NC(C)=O)c1 ZINC000037120301 171367833 /nfs/dbraw/zinc/36/78/33/171367833.db2.gz ATJGQSZXMXQAJY-CMPLNLGQSA-N 0 0 248.370 3.800 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc(C)c(NC(C)=O)c1 ZINC000037120302 343334520 /nfs/dbraw/zinc/33/45/20/343334520.db2.gz ATJGQSZXMXQAJY-PWSUYJOCSA-N 0 0 248.370 3.800 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc(C)c(NC(C)=O)c1 ZINC000037120303 171391491 /nfs/dbraw/zinc/39/14/91/171391491.db2.gz ATJGQSZXMXQAJY-JQWIXIFHSA-N 0 0 248.370 3.800 20 0 BHADRN CCCCCCNc1ccc(C)c(NC(C)=O)c1 ZINC000037120333 343334533 /nfs/dbraw/zinc/33/45/33/343334533.db2.gz QLBIMVZQJOMFPE-UHFFFAOYSA-N 0 0 248.370 3.946 20 0 BHADRN CCC(CC)CNc1ccc(C)c(NC(C)=O)c1 ZINC000037120387 168365316 /nfs/dbraw/zinc/36/53/16/168365316.db2.gz MIPQTQVVDDSKLU-UHFFFAOYSA-N 0 0 248.370 3.802 20 0 BHADRN CC(=O)Nc1cc(N[C@@H](C)C2(C)CC2)ccc1C ZINC000037120415 358467988 /nfs/dbraw/zinc/46/79/88/358467988.db2.gz ANVKHOAAIKIDSG-NSHDSACASA-N 0 0 246.354 3.554 20 0 BHADRN CC(=O)Nc1cc(N[C@H](C)C2(C)CC2)ccc1C ZINC000037120416 387560467 /nfs/dbraw/zinc/56/04/67/387560467.db2.gz ANVKHOAAIKIDSG-LLVKDONJSA-N 0 0 246.354 3.554 20 0 BHADRN CC(=O)Nc1cc(NC2CCCCC2)ccc1C ZINC000037120420 383942593 /nfs/dbraw/zinc/94/25/93/383942593.db2.gz KOXDJXCHRDRNTK-UHFFFAOYSA-N 0 0 246.354 3.698 20 0 BHADRN CCC[C@@H](C)Nc1ccc(C)c(NC(C)=O)c1 ZINC000037120432 169371474 /nfs/dbraw/zinc/37/14/74/169371474.db2.gz TXLBOKCYEJCYJC-LLVKDONJSA-N 0 0 234.343 3.554 20 0 BHADRN CCC[C@H](C)Nc1ccc(C)c(NC(C)=O)c1 ZINC000037120433 383941200 /nfs/dbraw/zinc/94/12/00/383941200.db2.gz TXLBOKCYEJCYJC-NSHDSACASA-N 0 0 234.343 3.554 20 0 BHADRN CC(=O)Nc1cc(N[C@@H](C)CC(C)C)ccc1C ZINC000037120445 383940884 /nfs/dbraw/zinc/94/08/84/383940884.db2.gz YXZDMTHONCKNFP-LBPRGKRZSA-N 0 0 248.370 3.800 20 0 BHADRN CC(=O)Nc1cc(N[C@H](C)CC(C)C)ccc1C ZINC000037120446 188286510 /nfs/dbraw/zinc/28/65/10/188286510.db2.gz YXZDMTHONCKNFP-GFCCVEGCSA-N 0 0 248.370 3.800 20 0 BHADRN COc1c(C)ccc(NC2CCCC2)c1C ZINC000037125708 324314532 /nfs/dbraw/zinc/31/45/32/324314532.db2.gz OUZFOGBVFZBZMJ-UHFFFAOYSA-N 0 0 219.328 3.667 20 0 BHADRN COc1c(C)ccc(NCc2cccs2)c1C ZINC000037125740 324314757 /nfs/dbraw/zinc/31/47/57/324314757.db2.gz ZNDWVKFWVZXGTN-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1c(C)ccc(NCc2ccco2)c1C ZINC000037125742 343335480 /nfs/dbraw/zinc/33/54/80/343335480.db2.gz GTYLXZCKDNVNIC-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN COc1c(C)ccc(NCc2ccc(C)o2)c1C ZINC000037125745 358468694 /nfs/dbraw/zinc/46/86/94/358468694.db2.gz WZWYEUSPENSVGL-UHFFFAOYSA-N 0 0 245.322 3.826 20 0 BHADRN COc1c(C)ccc(NCc2ccsc2)c1C ZINC000037125749 324314406 /nfs/dbraw/zinc/31/44/06/324314406.db2.gz ZAFWCTLWYIXAGN-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1c(C)ccc(NCc2ccccc2)c1C ZINC000037125799 324314576 /nfs/dbraw/zinc/31/45/76/324314576.db2.gz GVHYTIUWAOLFET-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1c(C)ccc(N[C@@H](C)C2CC2)c1C ZINC000037125868 324314863 /nfs/dbraw/zinc/31/48/63/324314863.db2.gz PGIRPUHZMDGYAJ-NSHDSACASA-N 0 0 219.328 3.522 20 0 BHADRN COc1c(C)ccc(N[C@H](C)C2CC2)c1C ZINC000037125869 324314421 /nfs/dbraw/zinc/31/44/21/324314421.db2.gz PGIRPUHZMDGYAJ-LLVKDONJSA-N 0 0 219.328 3.522 20 0 BHADRN CCCCNc1ccc(C)c(OC)c1C ZINC000037125927 384482829 /nfs/dbraw/zinc/48/28/29/384482829.db2.gz HSWOZBXADCJJOB-UHFFFAOYSA-N 0 0 207.317 3.524 20 0 BHADRN CC(C)Oc1ccccc1NC1CCCC1 ZINC000037126034 324315032 /nfs/dbraw/zinc/31/50/32/324315032.db2.gz VORGXSQEBXOURT-UHFFFAOYSA-N 0 0 219.328 3.828 20 0 BHADRN CC(C)Oc1ccccc1NCc1ccco1 ZINC000037126067 219819515 /nfs/dbraw/zinc/81/95/15/219819515.db2.gz WWONDIFLZYENNL-UHFFFAOYSA-N 0 0 231.295 3.679 20 0 BHADRN Cc1ccc(CNc2ccccc2OC(C)C)o1 ZINC000037126069 178639367 /nfs/dbraw/zinc/63/93/67/178639367.db2.gz UKPJBUQDXGAGRV-UHFFFAOYSA-N 0 0 245.322 3.987 20 0 BHADRN CC(C)Oc1ccccc1N[C@H](C)C(C)C ZINC000037126166 324314390 /nfs/dbraw/zinc/31/43/90/324314390.db2.gz QDKQEBCRTIDFPQ-GFCCVEGCSA-N 0 0 221.344 3.930 20 0 BHADRN CC(C)Oc1ccccc1N[C@@H](C)C(C)C ZINC000037126167 324314383 /nfs/dbraw/zinc/31/43/83/324314383.db2.gz QDKQEBCRTIDFPQ-LBPRGKRZSA-N 0 0 221.344 3.930 20 0 BHADRN CC(C)Oc1ccccc1N[C@@H](C)C1CC1 ZINC000037126196 324314616 /nfs/dbraw/zinc/31/46/16/324314616.db2.gz QUFNNPQRJAQMEQ-NSHDSACASA-N 0 0 219.328 3.684 20 0 BHADRN CC(C)Oc1ccccc1N[C@H](C)C1CC1 ZINC000037126197 324314601 /nfs/dbraw/zinc/31/46/01/324314601.db2.gz QUFNNPQRJAQMEQ-LLVKDONJSA-N 0 0 219.328 3.684 20 0 BHADRN CCC[C@@H](C)CNc1cc(NC(C)=O)ccc1C ZINC000037126783 324315369 /nfs/dbraw/zinc/31/53/69/324315369.db2.gz RLZLPRNQHIJQBO-LLVKDONJSA-N 0 0 248.370 3.802 20 0 BHADRN CCC[C@H](C)CNc1cc(NC(C)=O)ccc1C ZINC000037126784 324315240 /nfs/dbraw/zinc/31/52/40/324315240.db2.gz RLZLPRNQHIJQBO-NSHDSACASA-N 0 0 248.370 3.802 20 0 BHADRN CCCCCNc1cc(NC(C)=O)ccc1C ZINC000037126788 343335385 /nfs/dbraw/zinc/33/53/85/343335385.db2.gz DPNXCKDNZBMHAO-UHFFFAOYSA-N 0 0 234.343 3.556 20 0 BHADRN CCCCCCNc1cc(NC(C)=O)ccc1C ZINC000037126822 712546080 /nfs/dbraw/zinc/54/60/80/712546080.db2.gz BLPMXGAARPHHJI-UHFFFAOYSA-N 0 0 248.370 3.946 20 0 BHADRN CCC(CC)CNc1cc(NC(C)=O)ccc1C ZINC000037126876 324315525 /nfs/dbraw/zinc/31/55/25/324315525.db2.gz OAUQJBPGSJDRTN-UHFFFAOYSA-N 0 0 248.370 3.802 20 0 BHADRN CC(=O)Nc1ccc(C)c(NC2CCCCC2)c1 ZINC000037126909 383942443 /nfs/dbraw/zinc/94/24/43/383942443.db2.gz PMIXFFGBQYHAIH-UHFFFAOYSA-N 0 0 246.354 3.698 20 0 BHADRN CC(=O)Nc1ccc(C)c(N[C@@H](C)CC(C)C)c1 ZINC000037126934 219819304 /nfs/dbraw/zinc/81/93/04/219819304.db2.gz MAJAYDZEXWGUMH-LBPRGKRZSA-N 0 0 248.370 3.800 20 0 BHADRN CC(=O)Nc1ccc(C)c(N[C@H](C)CC(C)C)c1 ZINC000037126935 188286298 /nfs/dbraw/zinc/28/62/98/188286298.db2.gz MAJAYDZEXWGUMH-GFCCVEGCSA-N 0 0 248.370 3.800 20 0 BHADRN CCC(CC)Nc1cc(NC(C)=O)ccc1C ZINC000037126946 168393993 /nfs/dbraw/zinc/39/39/93/168393993.db2.gz NQZVXLPDVLNDRF-UHFFFAOYSA-N 0 0 234.343 3.554 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cccc(-n2cccn2)c1 ZINC000037127351 324315883 /nfs/dbraw/zinc/31/58/83/324315883.db2.gz WTYVXIRRNLNXSV-CHWSQXEVSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cccc(-n2cccn2)c1 ZINC000037127352 324315259 /nfs/dbraw/zinc/31/52/59/324315259.db2.gz WTYVXIRRNLNXSV-QWHCGFSZSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cccc(-n2cccn2)c1 ZINC000037127353 353678416 /nfs/dbraw/zinc/67/84/16/353678416.db2.gz WTYVXIRRNLNXSV-OLZOCXBDSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cccc(-n2cccn2)c1 ZINC000037127354 353678530 /nfs/dbraw/zinc/67/85/30/353678530.db2.gz WTYVXIRRNLNXSV-STQMWFEESA-N 0 0 243.354 3.719 20 0 BHADRN c1cnn(-c2cccc(NC3CCCCC3)c2)c1 ZINC000037127470 324315483 /nfs/dbraw/zinc/31/54/83/324315483.db2.gz GOONTCZXUSXYNO-UHFFFAOYSA-N 0 0 241.338 3.617 20 0 BHADRN CCCCC[C@@H](C)Nc1ccccc1CO ZINC000037133544 711480149 /nfs/dbraw/zinc/48/01/49/711480149.db2.gz XAYHBFGFGFIZNW-GFCCVEGCSA-N 0 0 221.344 3.560 20 0 BHADRN CCCCC[C@H](C)Nc1ccccc1CO ZINC000037133545 712550949 /nfs/dbraw/zinc/55/09/49/712550949.db2.gz XAYHBFGFGFIZNW-LBPRGKRZSA-N 0 0 221.344 3.560 20 0 BHADRN CCCC1CCC(Nc2ccccc2CO)CC1 ZINC000037133587 324319580 /nfs/dbraw/zinc/31/95/80/324319580.db2.gz SYFCVHLTIJUJID-UHFFFAOYSA-N 0 0 247.382 3.950 20 0 BHADRN OCc1ccccc1NC1CCCCCCC1 ZINC000037133659 712551000 /nfs/dbraw/zinc/55/10/00/712551000.db2.gz AGUDGAAPXMZGRS-UHFFFAOYSA-N 0 0 233.355 3.704 20 0 BHADRN CCC1CCC(Nc2ccccc2CO)CC1 ZINC000037133660 324319595 /nfs/dbraw/zinc/31/95/95/324319595.db2.gz LPAIVGKNHGPIQX-UHFFFAOYSA-N 0 0 233.355 3.560 20 0 BHADRN CCCCCC[C@@H](C)Nc1ccccc1CO ZINC000037133793 712551616 /nfs/dbraw/zinc/55/16/16/712551616.db2.gz SYDZSYWCUOJTQS-CYBMUJFWSA-N 0 0 235.371 3.950 20 0 BHADRN CCCCCC[C@H](C)Nc1ccccc1CO ZINC000037133794 712551940 /nfs/dbraw/zinc/55/19/40/712551940.db2.gz SYDZSYWCUOJTQS-ZDUSSCGKSA-N 0 0 235.371 3.950 20 0 BHADRN CC[C@@H](C)C[C@@H](CC)Nc1ccccc1CO ZINC000037133800 324332831 /nfs/dbraw/zinc/33/28/31/324332831.db2.gz KCPBNIXUFLTVDC-TZMCWYRMSA-N 0 0 235.371 3.806 20 0 BHADRN CC[C@H](C[C@@H](C)CC)Nc1ccccc1CO ZINC000037133801 324332840 /nfs/dbraw/zinc/33/28/40/324332840.db2.gz KCPBNIXUFLTVDC-GXTWGEPZSA-N 0 0 235.371 3.806 20 0 BHADRN CC[C@@H](C)C[C@H](CC)Nc1ccccc1CO ZINC000037133802 324332383 /nfs/dbraw/zinc/33/23/83/324332383.db2.gz KCPBNIXUFLTVDC-OCCSQVGLSA-N 0 0 235.371 3.806 20 0 BHADRN CC[C@H](C)C[C@H](CC)Nc1ccccc1CO ZINC000037133803 324332797 /nfs/dbraw/zinc/33/27/97/324332797.db2.gz KCPBNIXUFLTVDC-JSGCOSHPSA-N 0 0 235.371 3.806 20 0 BHADRN CCCC(CCC)Nc1ccccc1CO ZINC000037133812 324332897 /nfs/dbraw/zinc/33/28/97/324332897.db2.gz ZXNKCWIAIWRKST-UHFFFAOYSA-N 0 0 221.344 3.560 20 0 BHADRN CCCCC[C@@H](C)Nc1cccc(NC(N)=O)c1 ZINC000037135719 343335418 /nfs/dbraw/zinc/33/54/18/343335418.db2.gz QMZOLNMRLDCDRP-LLVKDONJSA-N 0 0 249.358 3.558 20 0 BHADRN CCCCC[C@H](C)Nc1cccc(NC(N)=O)c1 ZINC000037135720 168744167 /nfs/dbraw/zinc/74/41/67/168744167.db2.gz QMZOLNMRLDCDRP-NSHDSACASA-N 0 0 249.358 3.558 20 0 BHADRN CCCC(CCC)Nc1cccc(NC(N)=O)c1 ZINC000037135924 168583032 /nfs/dbraw/zinc/58/30/32/168583032.db2.gz ZQMNQPYHHFZVHS-UHFFFAOYSA-N 0 0 249.358 3.558 20 0 BHADRN CC(C)Nc1ccc2oc(C(C)C)nc2c1 ZINC000037136868 358059883 /nfs/dbraw/zinc/05/98/83/358059883.db2.gz KXPJILKONABLES-UHFFFAOYSA-N 0 0 218.300 3.772 20 0 BHADRN CC(C)c1nc2cc(NCC3CC3)ccc2o1 ZINC000037136879 358059918 /nfs/dbraw/zinc/05/99/18/358059918.db2.gz ZAKFULWSBJBWHW-UHFFFAOYSA-N 0 0 230.311 3.773 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137178 324337372 /nfs/dbraw/zinc/33/73/72/324337372.db2.gz HRPFBUPSUOPPQL-VXGBXAGGSA-N 0 0 243.354 3.923 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137179 324337662 /nfs/dbraw/zinc/33/76/62/324337662.db2.gz HRPFBUPSUOPPQL-NWDGAFQWSA-N 0 0 243.354 3.923 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137180 324337450 /nfs/dbraw/zinc/33/74/50/324337450.db2.gz HRPFBUPSUOPPQL-NEPJUHHUSA-N 0 0 243.354 3.923 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137181 324337640 /nfs/dbraw/zinc/33/76/40/324337640.db2.gz HRPFBUPSUOPPQL-RYUDHWBXSA-N 0 0 243.354 3.923 20 0 BHADRN CC[C@@H](C)CNc1cccc(-c2cc[nH]n2)c1 ZINC000037137198 358468824 /nfs/dbraw/zinc/46/88/24/358468824.db2.gz DFERQNPAAOGSQT-LLVKDONJSA-N 0 0 229.327 3.535 20 0 BHADRN CC[C@H](C)CNc1cccc(-c2cc[nH]n2)c1 ZINC000037137199 171289276 /nfs/dbraw/zinc/28/92/76/171289276.db2.gz DFERQNPAAOGSQT-NSHDSACASA-N 0 0 229.327 3.535 20 0 BHADRN c1cc(-c2cccc(NCc3ccccc3)c2)n[nH]1 ZINC000037137287 183406678 /nfs/dbraw/zinc/40/66/78/183406678.db2.gz GOGZVIMWLINORI-UHFFFAOYSA-N 0 0 249.317 3.689 20 0 BHADRN c1cc(-c2cccc(NC3CCCCC3)c2)n[nH]1 ZINC000037137297 324337559 /nfs/dbraw/zinc/33/75/59/324337559.db2.gz IWGLDQSGMQXMCH-UHFFFAOYSA-N 0 0 241.338 3.821 20 0 BHADRN CC(C)[C@@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137318 324337474 /nfs/dbraw/zinc/33/74/74/324337474.db2.gz QBSUGYRHBDWNHC-LLVKDONJSA-N 0 0 229.327 3.533 20 0 BHADRN CC(C)[C@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137319 324337399 /nfs/dbraw/zinc/33/73/99/324337399.db2.gz QBSUGYRHBDWNHC-NSHDSACASA-N 0 0 229.327 3.533 20 0 BHADRN CC(C)C[C@@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137322 324337510 /nfs/dbraw/zinc/33/75/10/324337510.db2.gz YUYMXZGLFIRYNW-GFCCVEGCSA-N 0 0 243.354 3.923 20 0 BHADRN CC(C)C[C@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137323 324337338 /nfs/dbraw/zinc/33/73/38/324337338.db2.gz YUYMXZGLFIRYNW-LBPRGKRZSA-N 0 0 243.354 3.923 20 0 BHADRN CCC(CC)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037137334 324337349 /nfs/dbraw/zinc/33/73/49/324337349.db2.gz JBPVMGIHFFOQNP-UHFFFAOYSA-N 0 0 229.327 3.677 20 0 BHADRN CC[C@@H](C)CN(C)c1cccc(F)c1C(C)=O ZINC000037173462 344497462 /nfs/dbraw/zinc/49/74/62/344497462.db2.gz KMIUPYAWFQPCBO-SNVBAGLBSA-N 0 0 237.318 3.511 20 0 BHADRN CC[C@H](C)CN(C)c1cccc(F)c1C(C)=O ZINC000037173463 171275711 /nfs/dbraw/zinc/27/57/11/171275711.db2.gz KMIUPYAWFQPCBO-JTQLQIEISA-N 0 0 237.318 3.511 20 0 BHADRN COc1ccc(CNc2cccc(C)c2)cc1C ZINC000037185420 388591335 /nfs/dbraw/zinc/59/13/35/388591335.db2.gz QVPYRGDQLDXGFC-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN Cc1cccc(NCc2cnn(C(C)(C)C)c2)c1 ZINC000037185454 179152391 /nfs/dbraw/zinc/15/23/91/179152391.db2.gz BDPXNBWSDCYMLL-UHFFFAOYSA-N 0 0 243.354 3.559 20 0 BHADRN COc1ccc(N[C@H](C)c2cccc(C)c2)cn1 ZINC000037185594 175154904 /nfs/dbraw/zinc/15/49/04/175154904.db2.gz FPAGJQOWMXXQCX-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@@H](C)c2cccc(C)c2)cn1 ZINC000037185595 175154202 /nfs/dbraw/zinc/15/42/02/175154202.db2.gz FPAGJQOWMXXQCX-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccccc1C[C@H](C)Nc1ccccc1 ZINC000037186094 175333779 /nfs/dbraw/zinc/33/37/79/175333779.db2.gz LMKQXQMFBMMPQW-ZDUSSCGKSA-N 0 0 241.334 3.738 20 0 BHADRN COc1ccccc1C[C@@H](C)Nc1ccccc1 ZINC000037186095 175333017 /nfs/dbraw/zinc/33/30/17/175333017.db2.gz LMKQXQMFBMMPQW-CYBMUJFWSA-N 0 0 241.334 3.738 20 0 BHADRN Cc1ccc(CNc2ccccc2)cc1C ZINC000037186123 363877111 /nfs/dbraw/zinc/87/71/11/363877111.db2.gz BUQUEYVPNFFHMQ-UHFFFAOYSA-N 0 0 211.308 3.916 20 0 BHADRN Cc1cc(C)c(CNc2cccnc2)cc1C ZINC000037187168 177861815 /nfs/dbraw/zinc/86/18/15/177861815.db2.gz SDKGEKXSCYROHT-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN CCCC[C@@H](C)Nc1ccc(NC(C)=O)cc1 ZINC000037187576 343338311 /nfs/dbraw/zinc/33/83/11/343338311.db2.gz ZQVKEWFQWBPFMO-LLVKDONJSA-N 0 0 234.343 3.636 20 0 BHADRN CCCC[C@H](C)Nc1ccc(NC(C)=O)cc1 ZINC000037187577 168991704 /nfs/dbraw/zinc/99/17/04/168991704.db2.gz ZQVKEWFQWBPFMO-NSHDSACASA-N 0 0 234.343 3.636 20 0 BHADRN CCCCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000037188830 388591210 /nfs/dbraw/zinc/59/12/10/388591210.db2.gz AHCGHUYLEYLPEB-NSHDSACASA-N 0 0 239.334 3.675 20 0 BHADRN CCCCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000037188831 388591529 /nfs/dbraw/zinc/59/15/29/388591529.db2.gz AHCGHUYLEYLPEB-LLVKDONJSA-N 0 0 239.334 3.675 20 0 BHADRN CCCC[C@@H](C)Nc1ccccc1OC ZINC000037189183 322827277 /nfs/dbraw/zinc/82/72/77/322827277.db2.gz LLLACKOQCNAYLA-LLVKDONJSA-N 0 0 207.317 3.686 20 0 BHADRN CCCC[C@H](C)Nc1ccccc1OC ZINC000037189184 322827267 /nfs/dbraw/zinc/82/72/67/322827267.db2.gz LLLACKOQCNAYLA-NSHDSACASA-N 0 0 207.317 3.686 20 0 BHADRN COc1ccccc1NCc1ccc(C)c(C)c1 ZINC000037189238 175337632 /nfs/dbraw/zinc/33/76/32/175337632.db2.gz PESUTOMIJLZUKI-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN CCCC[C@@H](C)Nc1ccc(OC)cc1OC ZINC000037195581 712552495 /nfs/dbraw/zinc/55/24/95/712552495.db2.gz PJFCWRLJXWCARR-LLVKDONJSA-N 0 0 237.343 3.694 20 0 BHADRN CCCC[C@H](C)Nc1ccc(OC)cc1OC ZINC000037195582 712552595 /nfs/dbraw/zinc/55/25/95/712552595.db2.gz PJFCWRLJXWCARR-NSHDSACASA-N 0 0 237.343 3.694 20 0 BHADRN CC[C@H](Nc1ccc(OC)cc1OC)C(C)C ZINC000037195583 712552703 /nfs/dbraw/zinc/55/27/03/712552703.db2.gz GHEUFDLOERMROY-LBPRGKRZSA-N 0 0 237.343 3.550 20 0 BHADRN CC[C@@H](Nc1ccc(OC)cc1OC)C(C)C ZINC000037195584 712552564 /nfs/dbraw/zinc/55/25/64/712552564.db2.gz GHEUFDLOERMROY-GFCCVEGCSA-N 0 0 237.343 3.550 20 0 BHADRN CCCC[C@@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000037197309 712552552 /nfs/dbraw/zinc/55/25/52/712552552.db2.gz QGPKCKJUKXCHFV-GFCCVEGCSA-N 0 0 249.354 3.839 20 0 BHADRN CCCC[C@H](C)Nc1ccc2c(c1)OCCCO2 ZINC000037197310 712552577 /nfs/dbraw/zinc/55/25/77/712552577.db2.gz QGPKCKJUKXCHFV-LBPRGKRZSA-N 0 0 249.354 3.839 20 0 BHADRN CC[C@H](Nc1ccc2c(c1)OCCCO2)C(C)C ZINC000037197311 171551120 /nfs/dbraw/zinc/55/11/20/171551120.db2.gz FSXYIHSTJFHNHQ-ZDUSSCGKSA-N 0 0 249.354 3.694 20 0 BHADRN CC[C@@H](Nc1ccc2c(c1)OCCCO2)C(C)C ZINC000037197312 170916028 /nfs/dbraw/zinc/91/60/28/170916028.db2.gz FSXYIHSTJFHNHQ-CYBMUJFWSA-N 0 0 249.354 3.694 20 0 BHADRN CCCC[C@H](C)Nc1ccc(OC)c(OC)c1 ZINC000037199034 712552570 /nfs/dbraw/zinc/55/25/70/712552570.db2.gz YCVJDHAUQYKXPX-NSHDSACASA-N 0 0 237.343 3.694 20 0 BHADRN CC[C@H](Nc1ccc(OC)c(OC)c1)C(C)C ZINC000037199035 712552488 /nfs/dbraw/zinc/55/24/88/712552488.db2.gz NUHDHQXPGIYKRU-LBPRGKRZSA-N 0 0 237.343 3.550 20 0 BHADRN CC[C@@H](Nc1ccc(OC)c(OC)c1)C(C)C ZINC000037199036 712552629 /nfs/dbraw/zinc/55/26/29/712552629.db2.gz NUHDHQXPGIYKRU-GFCCVEGCSA-N 0 0 237.343 3.550 20 0 BHADRN CCCC[C@@H](C)Nc1cc(OC)cc(OC)c1 ZINC000037199150 324424695 /nfs/dbraw/zinc/42/46/95/324424695.db2.gz NDKQXHFLQQAQAA-LLVKDONJSA-N 0 0 237.343 3.694 20 0 BHADRN CCCC[C@H](C)Nc1cc(OC)cc(OC)c1 ZINC000037199151 388595125 /nfs/dbraw/zinc/59/51/25/388595125.db2.gz NDKQXHFLQQAQAA-NSHDSACASA-N 0 0 237.343 3.694 20 0 BHADRN CC[C@H](Nc1cc(OC)cc(OC)c1)C(C)C ZINC000037199152 388595493 /nfs/dbraw/zinc/59/54/93/388595493.db2.gz OFSQXJICAUPJJT-AWEZNQCLSA-N 0 0 237.343 3.550 20 0 BHADRN CC[C@@H](Nc1cc(OC)cc(OC)c1)C(C)C ZINC000037199153 324424745 /nfs/dbraw/zinc/42/47/45/324424745.db2.gz OFSQXJICAUPJJT-CQSZACIVSA-N 0 0 237.343 3.550 20 0 BHADRN CCCC[C@@H](C)Nc1cccc(NC(C)=O)c1 ZINC000037201320 343338651 /nfs/dbraw/zinc/33/86/51/343338651.db2.gz IZXADFNTFGFPKP-LLVKDONJSA-N 0 0 234.343 3.636 20 0 BHADRN CCCC[C@H](C)Nc1cccc(NC(C)=O)c1 ZINC000037201321 343338649 /nfs/dbraw/zinc/33/86/49/343338649.db2.gz IZXADFNTFGFPKP-NSHDSACASA-N 0 0 234.343 3.636 20 0 BHADRN CCCCSc1ccc(N)cc1Cl ZINC000037204909 168934108 /nfs/dbraw/zinc/93/41/08/168934108.db2.gz SPMRWTIKGWDLLT-UHFFFAOYSA-N 0 0 215.749 3.814 20 0 BHADRN Nc1ccc(SCC(F)(F)F)c(Cl)c1 ZINC000037205096 348197328 /nfs/dbraw/zinc/19/73/28/348197328.db2.gz XTVIXEIKTGYUSB-UHFFFAOYSA-N 0 0 241.665 3.577 20 0 BHADRN Nc1ccc(SC2CCCC2)c(Cl)c1 ZINC000037205098 187230112 /nfs/dbraw/zinc/23/01/12/187230112.db2.gz UIYGHWGRFYFWQH-UHFFFAOYSA-N 0 0 227.760 3.957 20 0 BHADRN CC(C)=CCSc1ccc(N)cc1Cl ZINC000037205106 398310442 /nfs/dbraw/zinc/31/04/42/398310442.db2.gz NGYHZBPAFKZLMY-UHFFFAOYSA-N 0 0 227.760 3.981 20 0 BHADRN Nc1ccc(SC/C=C/Cl)c(Cl)c1 ZINC000037205107 712553457 /nfs/dbraw/zinc/55/34/57/712553457.db2.gz GXTXWENIMPEFCS-DAFODLJHSA-N 0 0 234.151 3.767 20 0 BHADRN Cc1ccc2sc(-c3ccc(O)cc3)nc2c1 ZINC000037205217 388236963 /nfs/dbraw/zinc/23/69/63/388236963.db2.gz XQVBMURNYXPPTA-UHFFFAOYSA-N 0 0 241.315 3.977 20 0 BHADRN Cc1ccc2sc(-c3cccc(O)c3)nc2c1 ZINC000037205970 361742283 /nfs/dbraw/zinc/74/22/83/361742283.db2.gz BANGFHGBNWKRIX-UHFFFAOYSA-N 0 0 241.315 3.977 20 0 BHADRN COc1ccc(CNc2ccc(F)cc2)cc1C ZINC000037210641 388598327 /nfs/dbraw/zinc/59/83/27/388598327.db2.gz GLAVSYKLCXYVRI-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(CNc2ccccc2F)cc1C ZINC000037211302 187940106 /nfs/dbraw/zinc/94/01/06/187940106.db2.gz GEFHOTRVHZYNTO-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN CCCC[C@@H](C)Nc1cccc(OC)c1 ZINC000037215451 384492383 /nfs/dbraw/zinc/49/23/83/384492383.db2.gz YXWYFMXJFFQFRK-LLVKDONJSA-N 0 0 207.317 3.686 20 0 BHADRN CCCC[C@H](C)Nc1cccc(OC)c1 ZINC000037215452 384493028 /nfs/dbraw/zinc/49/30/28/384493028.db2.gz YXWYFMXJFFQFRK-NSHDSACASA-N 0 0 207.317 3.686 20 0 BHADRN COc1cccc(NCc2ccc(C)c(C)c2)c1 ZINC000037215506 175279054 /nfs/dbraw/zinc/27/90/54/175279054.db2.gz FGZCSFDGSJOBAP-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(CNc2ccc(C)cc2)cc1C ZINC000037215889 324438574 /nfs/dbraw/zinc/43/85/74/324438574.db2.gz SFMLPCOOALDUED-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN Cc1ccc(NCc2cnn(C(C)(C)C)c2)cc1 ZINC000037215923 343339729 /nfs/dbraw/zinc/33/97/29/343339729.db2.gz IQOPLVLHFSPHJQ-UHFFFAOYSA-N 0 0 243.354 3.559 20 0 BHADRN CCCC[C@@H](C)Nc1ccc(OC)cc1 ZINC000037216188 712553268 /nfs/dbraw/zinc/55/32/68/712553268.db2.gz PXQYOFIBVDOYMA-LLVKDONJSA-N 0 0 207.317 3.686 20 0 BHADRN CCCC[C@H](C)Nc1ccc(OC)cc1 ZINC000037216189 712553359 /nfs/dbraw/zinc/55/33/59/712553359.db2.gz PXQYOFIBVDOYMA-NSHDSACASA-N 0 0 207.317 3.686 20 0 BHADRN COc1ccc(NCc2ccc(C)c(C)c2)cc1 ZINC000037216241 175151552 /nfs/dbraw/zinc/15/15/52/175151552.db2.gz MFZOUSBBFKSUAX-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(CNc2ccccc2C)cc1C ZINC000037216439 490169399 /nfs/dbraw/zinc/16/93/99/490169399.db2.gz NAJOUWUKUDYRHK-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN Cc1ccccc1NCc1cnn(C(C)(C)C)c1 ZINC000037216473 179306136 /nfs/dbraw/zinc/30/61/36/179306136.db2.gz AKRKGDOFQMADNE-UHFFFAOYSA-N 0 0 243.354 3.559 20 0 BHADRN Cc1cccc(NCc2cc(F)ccc2F)c1 ZINC000037228222 179148161 /nfs/dbraw/zinc/14/81/61/179148161.db2.gz JRSGIMDDLDJMRD-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN COc1ccccc1NCc1cc(F)ccc1F ZINC000037228257 175338052 /nfs/dbraw/zinc/33/80/52/175338052.db2.gz QRWGQGMVTCJVAM-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN Fc1cccc(NCc2cc(F)ccc2F)c1 ZINC000037228365 181001653 /nfs/dbraw/zinc/00/16/53/181001653.db2.gz DAQDCGBUXDEBKJ-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Fc1ccc(NCc2cc(F)ccc2F)cc1 ZINC000037228372 180977760 /nfs/dbraw/zinc/97/77/60/180977760.db2.gz LSKHPDVASAQYKB-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Fc1ccc(F)c(CNc2ccccc2F)c1 ZINC000037228376 363879555 /nfs/dbraw/zinc/87/95/55/363879555.db2.gz PUQYLDRNFXULDP-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN COc1cccc(NCc2cc(F)ccc2F)c1 ZINC000037228406 175279064 /nfs/dbraw/zinc/27/90/64/175279064.db2.gz IEZMZJZTMRBHIG-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN Cc1ccc(NCc2cc(F)ccc2F)cc1 ZINC000037228408 355834266 /nfs/dbraw/zinc/83/42/66/355834266.db2.gz IRFCNKNUCDIASQ-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1ccccc1NCc1cc(F)ccc1F ZINC000037228410 179306027 /nfs/dbraw/zinc/30/60/27/179306027.db2.gz TZHMMJCJEUPCTL-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1nn(C)c(C)c1N[C@H](C)c1cccc(C)c1 ZINC000037230977 368268923 /nfs/dbraw/zinc/26/89/23/368268923.db2.gz KVPWAXHBXKQAPV-LLVKDONJSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1nn(C)c(C)c1N[C@@H](C)c1cccc(C)c1 ZINC000037230978 368269362 /nfs/dbraw/zinc/26/93/62/368269362.db2.gz KVPWAXHBXKQAPV-NSHDSACASA-N 0 0 243.354 3.518 20 0 BHADRN CC[C@H](Nc1ccc2oc(C)nc2c1)C(C)C ZINC000037232762 324461322 /nfs/dbraw/zinc/46/13/22/324461322.db2.gz PGLSVXJEXFLPBA-LBPRGKRZSA-N 0 0 232.327 3.983 20 0 BHADRN CC[C@@H](Nc1ccc2oc(C)nc2c1)C(C)C ZINC000037232763 388605561 /nfs/dbraw/zinc/60/55/61/388605561.db2.gz PGLSVXJEXFLPBA-GFCCVEGCSA-N 0 0 232.327 3.983 20 0 BHADRN CCCC[C@@H](C)Nc1cccc(-c2nnco2)c1 ZINC000037236255 343340453 /nfs/dbraw/zinc/34/04/53/343340453.db2.gz PHJMLEFLVKQFDS-LLVKDONJSA-N 0 0 245.326 3.727 20 0 BHADRN CCCC[C@H](C)Nc1cccc(-c2nnco2)c1 ZINC000037236257 343340556 /nfs/dbraw/zinc/34/05/56/343340556.db2.gz PHJMLEFLVKQFDS-NSHDSACASA-N 0 0 245.326 3.727 20 0 BHADRN Cc1cccc([C@@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000037246879 388611287 /nfs/dbraw/zinc/61/12/87/388611287.db2.gz IJURQMLEDDIQAI-CYBMUJFWSA-N 0 0 243.325 3.985 20 0 BHADRN Cc1cccc([C@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000037246881 388611346 /nfs/dbraw/zinc/61/13/46/388611346.db2.gz IJURQMLEDDIQAI-ZDUSSCGKSA-N 0 0 243.325 3.985 20 0 BHADRN c1cc2ncnc(NCC3CCCCC3)c2s1 ZINC000037250160 183533149 /nfs/dbraw/zinc/53/31/49/183533149.db2.gz CYXKVTVJBYCCEQ-UHFFFAOYSA-N 0 0 247.367 3.684 20 0 BHADRN Clc1cnc(NCC2CCCC2)c(Cl)c1 ZINC000037251409 322827638 /nfs/dbraw/zinc/82/76/38/322827638.db2.gz QTJNQJNNZNEMSP-UHFFFAOYSA-N 0 0 245.153 3.991 20 0 BHADRN FC(F)(F)c1ccc(NCC2CCCC2)nc1 ZINC000037251421 388612631 /nfs/dbraw/zinc/61/26/31/388612631.db2.gz FZPIADLSWCHHGH-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN c1ccc2nc(NCC3CCCC3)ccc2c1 ZINC000037251433 388612743 /nfs/dbraw/zinc/61/27/43/388612743.db2.gz SIIPUFZKXXRHNC-UHFFFAOYSA-N 0 0 226.323 3.837 20 0 BHADRN c1ccc2sc(NCC3CCCC3)nc2c1 ZINC000037251435 324484679 /nfs/dbraw/zinc/48/46/79/324484679.db2.gz YZPPGGLRKVWTOD-UHFFFAOYSA-N 0 0 232.352 3.898 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ncnc3sccc32)C1 ZINC000037251552 176146226 /nfs/dbraw/zinc/14/62/26/176146226.db2.gz NTSCXACKXMCFTK-ZJUUUORDSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ncnc3sccc32)C1 ZINC000037251554 177138567 /nfs/dbraw/zinc/13/85/67/177138567.db2.gz NTSCXACKXMCFTK-UWVGGRQHSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ncnc3sccc32)C1 ZINC000037251556 176125410 /nfs/dbraw/zinc/12/54/10/176125410.db2.gz NTSCXACKXMCFTK-NXEZZACHSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ncnc3sccc32)C1 ZINC000037251558 187805348 /nfs/dbraw/zinc/80/53/48/187805348.db2.gz NTSCXACKXMCFTK-VHSXEESVSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ncnc3ccsc32)C1 ZINC000037251672 176145934 /nfs/dbraw/zinc/14/59/34/176145934.db2.gz IREGDCZDRRHOGC-ZJUUUORDSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ncnc3ccsc32)C1 ZINC000037251674 177138603 /nfs/dbraw/zinc/13/86/03/177138603.db2.gz IREGDCZDRRHOGC-UWVGGRQHSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ncnc3ccsc32)C1 ZINC000037251676 176125497 /nfs/dbraw/zinc/12/54/97/176125497.db2.gz IREGDCZDRRHOGC-NXEZZACHSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ncnc3ccsc32)C1 ZINC000037251677 358471826 /nfs/dbraw/zinc/47/18/26/358471826.db2.gz IREGDCZDRRHOGC-VHSXEESVSA-N 0 0 247.367 3.682 20 0 BHADRN FC(F)(F)c1cccnc1NCC1CCCC1 ZINC000037253017 388612637 /nfs/dbraw/zinc/61/26/37/388612637.db2.gz RYAJQNJQMPNXJB-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000037256054 324495880 /nfs/dbraw/zinc/49/58/80/324495880.db2.gz OHDYHYFBTIEMBS-KOLCDFICSA-N 0 0 224.735 3.726 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000037256056 324495862 /nfs/dbraw/zinc/49/58/62/324495862.db2.gz OHDYHYFBTIEMBS-ONGXEEELSA-N 0 0 224.735 3.726 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000037256058 388617066 /nfs/dbraw/zinc/61/70/66/388617066.db2.gz OHDYHYFBTIEMBS-MWLCHTKSSA-N 0 0 224.735 3.726 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000037256060 324495886 /nfs/dbraw/zinc/49/58/86/324495886.db2.gz OHDYHYFBTIEMBS-GXSJLCMTSA-N 0 0 224.735 3.726 20 0 BHADRN CCCC[C@@H](C)Nc1ccc(OC)c(F)c1 ZINC000037256369 712560699 /nfs/dbraw/zinc/56/06/99/712560699.db2.gz NUTZJVIGPMGPIF-SNVBAGLBSA-N 0 0 225.307 3.825 20 0 BHADRN CCCC[C@H](C)Nc1ccc(OC)c(F)c1 ZINC000037256371 712560789 /nfs/dbraw/zinc/56/07/89/712560789.db2.gz NUTZJVIGPMGPIF-JTQLQIEISA-N 0 0 225.307 3.825 20 0 BHADRN CC[C@H](Nc1ccc(OC)c(F)c1)C(C)C ZINC000037256373 712560775 /nfs/dbraw/zinc/56/07/75/712560775.db2.gz NXAOONSZQXBFSU-LBPRGKRZSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@@H](Nc1ccc(OC)c(F)c1)C(C)C ZINC000037256375 712560860 /nfs/dbraw/zinc/56/08/60/712560860.db2.gz NXAOONSZQXBFSU-GFCCVEGCSA-N 0 0 225.307 3.681 20 0 BHADRN C[C@H]([NH2+]CC1CCCC1)c1ccc(F)cc1F ZINC000037257863 387418214 /nfs/dbraw/zinc/41/82/14/387418214.db2.gz FQXJRSPUXBJURF-JTQLQIEISA-N 0 0 239.309 3.806 20 0 BHADRN Clc1ccc(NCC2CCCCC2)nc1 ZINC000037259813 363882504 /nfs/dbraw/zinc/88/25/04/363882504.db2.gz UCYBLTXSWAHYSD-UHFFFAOYSA-N 0 0 224.735 3.727 20 0 BHADRN CCn1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000037261197 712560663 /nfs/dbraw/zinc/56/06/63/712560663.db2.gz BJDOXVDWKHFGSO-BFHYXJOUSA-N 0 0 247.386 3.674 20 0 BHADRN CCn1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cn1 ZINC000037261199 712560844 /nfs/dbraw/zinc/56/08/44/712560844.db2.gz BJDOXVDWKHFGSO-MGPQQGTHSA-N 0 0 247.386 3.674 20 0 BHADRN CCn1cc(N[C@@H](c2ccccc2)C(C)C)cn1 ZINC000037261276 172187126 /nfs/dbraw/zinc/18/71/26/172187126.db2.gz JKSXRBYMBBVVAJ-OAHLLOKOSA-N 0 0 243.354 3.712 20 0 BHADRN CCn1cc(N[C@H](c2ccccc2)C(C)C)cn1 ZINC000037261277 172188548 /nfs/dbraw/zinc/18/85/48/172188548.db2.gz JKSXRBYMBBVVAJ-HNNXBMFYSA-N 0 0 243.354 3.712 20 0 BHADRN CC(C)C[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000037264370 323207259 /nfs/dbraw/zinc/20/72/59/323207259.db2.gz CBGPBXGRGZACHT-SGMGOOAPSA-N 0 0 235.371 3.927 20 0 BHADRN CC(C)C[C@@H](C)Nc1ncnc2ccsc21 ZINC000037265050 387562375 /nfs/dbraw/zinc/56/23/75/387562375.db2.gz QIXMRHJSWLACNL-SECBINFHSA-N 0 0 235.356 3.538 20 0 BHADRN CC(C)C[C@H](C)Nc1ncnc2ccsc21 ZINC000037265051 187392159 /nfs/dbraw/zinc/39/21/59/187392159.db2.gz QIXMRHJSWLACNL-VIFPVBQESA-N 0 0 235.356 3.538 20 0 BHADRN CC(C)C[C@@H](C)Nc1ncnc2sccc21 ZINC000037265058 385022447 /nfs/dbraw/zinc/02/24/47/385022447.db2.gz DDBUQABCCABNFH-SECBINFHSA-N 0 0 235.356 3.538 20 0 BHADRN CC(C)C[C@H](C)Nc1ncnc2sccc21 ZINC000037265059 191069524 /nfs/dbraw/zinc/06/95/24/191069524.db2.gz DDBUQABCCABNFH-VIFPVBQESA-N 0 0 235.356 3.538 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccc(Cl)cn1 ZINC000037265108 398315173 /nfs/dbraw/zinc/31/51/73/398315173.db2.gz JTTGXGIONKPPKH-SECBINFHSA-N 0 0 212.724 3.582 20 0 BHADRN CC(C)C[C@H](C)Nc1ccc(Cl)cn1 ZINC000037265109 398315176 /nfs/dbraw/zinc/31/51/76/398315176.db2.gz JTTGXGIONKPPKH-VIFPVBQESA-N 0 0 212.724 3.582 20 0 BHADRN CC(C)C[C@@H](C)Nc1ncccc1Cl ZINC000037265122 388625620 /nfs/dbraw/zinc/62/56/20/388625620.db2.gz BLYNMHOUDBFNMH-SECBINFHSA-N 0 0 212.724 3.582 20 0 BHADRN CC(C)C[C@H](C)Nc1ncccc1Cl ZINC000037265123 388625596 /nfs/dbraw/zinc/62/55/96/388625596.db2.gz BLYNMHOUDBFNMH-VIFPVBQESA-N 0 0 212.724 3.582 20 0 BHADRN CCCC[C@H](C)Nc1ccc(N(C)C)cc1 ZINC000037270179 712564919 /nfs/dbraw/zinc/56/49/19/712564919.db2.gz LKHATBUGDNJUIM-LBPRGKRZSA-N 0 0 220.360 3.743 20 0 BHADRN CCCC[C@@H](C)Nc1cccc(COC)c1 ZINC000037270606 388626819 /nfs/dbraw/zinc/62/68/19/388626819.db2.gz SUIMWLRFFUSCAY-GFCCVEGCSA-N 0 0 221.344 3.824 20 0 BHADRN CCCC[C@H](C)Nc1cccc(COC)c1 ZINC000037270608 324522576 /nfs/dbraw/zinc/52/25/76/324522576.db2.gz SUIMWLRFFUSCAY-LBPRGKRZSA-N 0 0 221.344 3.824 20 0 BHADRN CC[C@H](Nc1cccc(COC)c1)C(C)C ZINC000037270610 324522663 /nfs/dbraw/zinc/52/26/63/324522663.db2.gz PMGGQKGZGJIINE-AWEZNQCLSA-N 0 0 221.344 3.680 20 0 BHADRN CC[C@@H](Nc1cccc(COC)c1)C(C)C ZINC000037270612 388626110 /nfs/dbraw/zinc/62/61/10/388626110.db2.gz PMGGQKGZGJIINE-CQSZACIVSA-N 0 0 221.344 3.680 20 0 BHADRN CCCC[C@@H](C)Nc1ccc(NC(C)=O)c(C)c1 ZINC000037271031 712565103 /nfs/dbraw/zinc/56/51/03/712565103.db2.gz MWISCKNAGFKCNC-GFCCVEGCSA-N 0 0 248.370 3.944 20 0 BHADRN CCCC[C@H](C)Nc1ccc(NC(C)=O)c(C)c1 ZINC000037271033 712565016 /nfs/dbraw/zinc/56/50/16/712565016.db2.gz MWISCKNAGFKCNC-LBPRGKRZSA-N 0 0 248.370 3.944 20 0 BHADRN CC[C@H](Nc1ccc(NC(C)=O)c(C)c1)C(C)C ZINC000037271035 712565120 /nfs/dbraw/zinc/56/51/20/712565120.db2.gz AHUYYXSSXAEUEE-AWEZNQCLSA-N 0 0 248.370 3.800 20 0 BHADRN CC[C@@H](Nc1ccc(NC(C)=O)c(C)c1)C(C)C ZINC000037271037 712564979 /nfs/dbraw/zinc/56/49/79/712564979.db2.gz AHUYYXSSXAEUEE-CQSZACIVSA-N 0 0 248.370 3.800 20 0 BHADRN CC[C@H](Nc1cccc(-n2ccnc2)c1)C(C)C ZINC000037275287 388639090 /nfs/dbraw/zinc/63/90/90/388639090.db2.gz SHHWDTVFJQKCRU-HNNXBMFYSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](Nc1cccc(-n2ccnc2)c1)C(C)C ZINC000037275290 324555336 /nfs/dbraw/zinc/55/53/36/324555336.db2.gz SHHWDTVFJQKCRU-OAHLLOKOSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@H](Nc1ccc(-n2cccn2)cc1)C(C)C ZINC000037282929 388641001 /nfs/dbraw/zinc/64/10/01/388641001.db2.gz MSIMWRWTSFESCC-HNNXBMFYSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](Nc1ccc(-n2cccn2)cc1)C(C)C ZINC000037282930 388641183 /nfs/dbraw/zinc/64/11/83/388641183.db2.gz MSIMWRWTSFESCC-OAHLLOKOSA-N 0 0 243.354 3.719 20 0 BHADRN CCCC[C@@H](C)Nc1ccc(N2CCCC2)nc1 ZINC000037283504 324562244 /nfs/dbraw/zinc/56/22/44/324562244.db2.gz QCNNOTRJIUREPT-CYBMUJFWSA-N 0 0 247.386 3.672 20 0 BHADRN CCCC[C@H](C)Nc1ccc(N2CCCC2)nc1 ZINC000037283505 388641107 /nfs/dbraw/zinc/64/11/07/388641107.db2.gz QCNNOTRJIUREPT-ZDUSSCGKSA-N 0 0 247.386 3.672 20 0 BHADRN CC[C@H](Nc1ccc(N2CCCC2)nc1)C(C)C ZINC000037283506 388641073 /nfs/dbraw/zinc/64/10/73/388641073.db2.gz GAEWXFLSWRCRLE-AWEZNQCLSA-N 0 0 247.386 3.528 20 0 BHADRN CC[C@@H](Nc1ccc(N2CCCC2)nc1)C(C)C ZINC000037283507 388641133 /nfs/dbraw/zinc/64/11/33/388641133.db2.gz GAEWXFLSWRCRLE-CQSZACIVSA-N 0 0 247.386 3.528 20 0 BHADRN CCCC[C@@H](C)Nc1ccc2n[nH]cc2c1 ZINC000037284004 388641916 /nfs/dbraw/zinc/64/19/16/388641916.db2.gz VBANRYYWUKSGJJ-SNVBAGLBSA-N 0 0 217.316 3.554 20 0 BHADRN CCCC[C@H](C)Nc1ccc2n[nH]cc2c1 ZINC000037284005 388641660 /nfs/dbraw/zinc/64/16/60/388641660.db2.gz VBANRYYWUKSGJJ-JTQLQIEISA-N 0 0 217.316 3.554 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc(OC)c(F)c1 ZINC000037290203 712563925 /nfs/dbraw/zinc/56/39/25/712563925.db2.gz YKUGDPBIYGUDAY-NXEZZACHSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc(OC)c(F)c1 ZINC000037290204 712563918 /nfs/dbraw/zinc/56/39/18/712563918.db2.gz YKUGDPBIYGUDAY-VHSXEESVSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc(OC)c(F)c1 ZINC000037290205 712563825 /nfs/dbraw/zinc/56/38/25/712563825.db2.gz YKUGDPBIYGUDAY-ZJUUUORDSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc(OC)c(F)c1 ZINC000037290206 712563707 /nfs/dbraw/zinc/56/37/07/712563707.db2.gz YKUGDPBIYGUDAY-UWVGGRQHSA-N 0 0 225.307 3.681 20 0 BHADRN CCC[C@@H](C)CNc1ccc(OC)c(F)c1 ZINC000037290220 169361071 /nfs/dbraw/zinc/36/10/71/169361071.db2.gz ADKFFPUIJZPTFQ-SNVBAGLBSA-N 0 0 225.307 3.682 20 0 BHADRN CCC[C@H](C)CNc1ccc(OC)c(F)c1 ZINC000037290221 169483574 /nfs/dbraw/zinc/48/35/74/169483574.db2.gz ADKFFPUIJZPTFQ-JTQLQIEISA-N 0 0 225.307 3.682 20 0 BHADRN COc1ccc(NC[C@H]2CC=CCC2)cc1F ZINC000037290236 175151684 /nfs/dbraw/zinc/15/16/84/175151684.db2.gz GZQCYPYRGTXHJC-NSHDSACASA-N 0 0 235.302 3.603 20 0 BHADRN COc1ccc(NC[C@@H]2CC=CCC2)cc1F ZINC000037290237 175151756 /nfs/dbraw/zinc/15/17/56/175151756.db2.gz GZQCYPYRGTXHJC-LLVKDONJSA-N 0 0 235.302 3.603 20 0 BHADRN COc1ccc(NC2CCCCC2)cc1F ZINC000037290280 712563620 /nfs/dbraw/zinc/56/36/20/712563620.db2.gz HCDHOFLCYSNXFT-UHFFFAOYSA-N 0 0 223.291 3.579 20 0 BHADRN COc1ccc(NCc2ccccc2F)cc1F ZINC000037290292 175152142 /nfs/dbraw/zinc/15/21/42/175152142.db2.gz UEFQPKIGMHASJD-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN COc1ccc(N[C@H](C)c2ccc(C)o2)cc1F ZINC000037290384 712563767 /nfs/dbraw/zinc/56/37/67/712563767.db2.gz HYURAXFRCOVNFO-SNVBAGLBSA-N 0 0 249.285 3.909 20 0 BHADRN COc1ccc(N[C@@H](C)c2ccc(C)o2)cc1F ZINC000037290385 712563845 /nfs/dbraw/zinc/56/38/45/712563845.db2.gz HYURAXFRCOVNFO-JTQLQIEISA-N 0 0 249.285 3.909 20 0 BHADRN COc1ccc(N[C@@H](C)c2ccco2)cc1F ZINC000037290395 175154135 /nfs/dbraw/zinc/15/41/35/175154135.db2.gz CWISLYAJKQRNKO-VIFPVBQESA-N 0 0 235.258 3.600 20 0 BHADRN COc1ccc(N[C@H](C)c2ccco2)cc1F ZINC000037290396 175154867 /nfs/dbraw/zinc/15/48/67/175154867.db2.gz CWISLYAJKQRNKO-SECBINFHSA-N 0 0 235.258 3.600 20 0 BHADRN COc1ccc(N[C@H](C)CC(C)C)cc1F ZINC000037290420 712563908 /nfs/dbraw/zinc/56/39/08/712563908.db2.gz RZTUOWSKTOWOIK-SNVBAGLBSA-N 0 0 225.307 3.681 20 0 BHADRN COc1ccc(N[C@@H](C)CC(C)C)cc1F ZINC000037290421 712563818 /nfs/dbraw/zinc/56/38/18/712563818.db2.gz RZTUOWSKTOWOIK-JTQLQIEISA-N 0 0 225.307 3.681 20 0 BHADRN CCC(CC)CNc1ccc(OC)c(F)c1 ZINC000037290460 168365818 /nfs/dbraw/zinc/36/58/18/168365818.db2.gz VVNKBMOMQKBSOF-UHFFFAOYSA-N 0 0 225.307 3.682 20 0 BHADRN COc1ccc(NCc2cccs2)cc1F ZINC000037290471 175152246 /nfs/dbraw/zinc/15/22/46/175152246.db2.gz QSTUXJPYVSTSMT-UHFFFAOYSA-N 0 0 237.299 3.508 20 0 BHADRN COc1ccc(N[C@H]2CCC[C@@H](C)C2)cc1F ZINC000037290480 175155508 /nfs/dbraw/zinc/15/55/08/175155508.db2.gz RHYURVXANMUHPN-MNOVXSKESA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(N[C@H]2CCC[C@H](C)C2)cc1F ZINC000037290481 175155306 /nfs/dbraw/zinc/15/53/06/175155306.db2.gz RHYURVXANMUHPN-QWRGUYRKSA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(N[C@@H]2CCC[C@@H](C)C2)cc1F ZINC000037290482 175154058 /nfs/dbraw/zinc/15/40/58/175154058.db2.gz RHYURVXANMUHPN-GHMZBOCLSA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(N[C@@H]2CCC[C@H](C)C2)cc1F ZINC000037290483 175153684 /nfs/dbraw/zinc/15/36/84/175153684.db2.gz RHYURVXANMUHPN-WDEREUQCSA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(N[C@H]2CCCC[C@H]2C)cc1F ZINC000037290488 175155796 /nfs/dbraw/zinc/15/57/96/175155796.db2.gz JCYNUTCQMOWQAU-MFKMUULPSA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(N[C@H]2CCCC[C@@H]2C)cc1F ZINC000037290489 175155298 /nfs/dbraw/zinc/15/52/98/175155298.db2.gz JCYNUTCQMOWQAU-GWCFXTLKSA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(N[C@@H]2CCCC[C@H]2C)cc1F ZINC000037290490 175153772 /nfs/dbraw/zinc/15/37/72/175153772.db2.gz JCYNUTCQMOWQAU-ZWNOBZJWSA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(N[C@@H]2CCCC[C@@H]2C)cc1F ZINC000037290491 175154377 /nfs/dbraw/zinc/15/43/77/175154377.db2.gz JCYNUTCQMOWQAU-GXFFZTMASA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(NC2CCC(C)CC2)cc1F ZINC000037290503 175149958 /nfs/dbraw/zinc/14/99/58/175149958.db2.gz MYVQXXNWDYFBER-UHFFFAOYSA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(NCc2cccc(C)c2)cc1F ZINC000037290510 175152721 /nfs/dbraw/zinc/15/27/21/175152721.db2.gz LJHYSLOXKGOOBN-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(NCc2ccc(C)cc2)cc1F ZINC000037290512 175151535 /nfs/dbraw/zinc/15/15/35/175151535.db2.gz JJDQCVKYHXXBDO-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(NCc2ccccc2C)cc1F ZINC000037290513 175152533 /nfs/dbraw/zinc/15/25/33/175152533.db2.gz STFKAUANCDZQAT-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(NCc2cccc(F)c2)cc1F ZINC000037290516 175152376 /nfs/dbraw/zinc/15/23/76/175152376.db2.gz RYVGGJWLCGQCNN-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN COc1ccc(NCc2ccc(F)cc2)cc1F ZINC000037290529 175152135 /nfs/dbraw/zinc/15/21/35/175152135.db2.gz IUJDRPQKWDPWDL-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN CC[C@H](Nc1ccccc1-n1cccn1)C(C)C ZINC000037294071 388641678 /nfs/dbraw/zinc/64/16/78/388641678.db2.gz LRAWSJMVUMXGRC-ZDUSSCGKSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](Nc1ccccc1-n1cccn1)C(C)C ZINC000037294072 388641490 /nfs/dbraw/zinc/64/14/90/388641490.db2.gz LRAWSJMVUMXGRC-CYBMUJFWSA-N 0 0 243.354 3.719 20 0 BHADRN C[C@H](Nc1cccc(CO)c1)C1CCCCC1 ZINC000037296214 324566609 /nfs/dbraw/zinc/56/66/09/324566609.db2.gz MFENCGLTGZPBOZ-LBPRGKRZSA-N 0 0 233.355 3.560 20 0 BHADRN C[C@@H](Nc1cccc(CO)c1)C1CCCCC1 ZINC000037296216 388641857 /nfs/dbraw/zinc/64/18/57/388641857.db2.gz MFENCGLTGZPBOZ-GFCCVEGCSA-N 0 0 233.355 3.560 20 0 BHADRN Cc1cccc([C@@H](C)Nc2cccc(CO)c2)c1 ZINC000037296242 356354993 /nfs/dbraw/zinc/35/49/93/356354993.db2.gz LCFGMUKJAKDXCF-CYBMUJFWSA-N 0 0 241.334 3.660 20 0 BHADRN Cc1cccc([C@H](C)Nc2cccc(CO)c2)c1 ZINC000037296244 356354777 /nfs/dbraw/zinc/35/47/77/356354777.db2.gz LCFGMUKJAKDXCF-ZDUSSCGKSA-N 0 0 241.334 3.660 20 0 BHADRN CCC(=O)Nc1ccc(N[C@@H](CC)C(C)C)cc1 ZINC000037300422 343343058 /nfs/dbraw/zinc/34/30/58/343343058.db2.gz BRMUAFXYKSCSHI-AWEZNQCLSA-N 0 0 248.370 3.882 20 0 BHADRN CCC(=O)Nc1ccc(N[C@H](CC)C(C)C)cc1 ZINC000037300424 343343173 /nfs/dbraw/zinc/34/31/73/343343173.db2.gz BRMUAFXYKSCSHI-CQSZACIVSA-N 0 0 248.370 3.882 20 0 BHADRN CCCC[C@@H](C)Nc1ccccc1N(C)C ZINC000037304617 388641724 /nfs/dbraw/zinc/64/17/24/388641724.db2.gz JGHZSTJRUDPXEM-GFCCVEGCSA-N 0 0 220.360 3.743 20 0 BHADRN CCCC[C@H](C)Nc1ccccc1N(C)C ZINC000037304618 388642134 /nfs/dbraw/zinc/64/21/34/388642134.db2.gz JGHZSTJRUDPXEM-LBPRGKRZSA-N 0 0 220.360 3.743 20 0 BHADRN C[C@@H](CC(=O)Nc1cccc(O)c1)CC(C)(C)C ZINC000037307110 538962281 /nfs/dbraw/zinc/96/22/81/538962281.db2.gz NQZZLZLMHBIOBT-NSHDSACASA-N 0 0 249.354 3.793 20 0 BHADRN C[C@H](CC(=O)Nc1cccc(O)c1)CC(C)(C)C ZINC000037307111 538962321 /nfs/dbraw/zinc/96/23/21/538962321.db2.gz NQZZLZLMHBIOBT-LLVKDONJSA-N 0 0 249.354 3.793 20 0 BHADRN CCCC[C@@H](C)Nc1ccc2c(c1)CCO2 ZINC000037313407 712567535 /nfs/dbraw/zinc/56/75/35/712567535.db2.gz RWYSVWYYBOHISW-LLVKDONJSA-N 0 0 219.328 3.612 20 0 BHADRN CCCC[C@H](C)Nc1ccc2c(c1)CCO2 ZINC000037313408 712567746 /nfs/dbraw/zinc/56/77/46/712567746.db2.gz RWYSVWYYBOHISW-NSHDSACASA-N 0 0 219.328 3.612 20 0 BHADRN CCCC[C@@H](C)Nc1ccc(C)c(NC(C)=O)c1 ZINC000037314479 343343515 /nfs/dbraw/zinc/34/35/15/343343515.db2.gz PKVHTOIOFKGQIY-GFCCVEGCSA-N 0 0 248.370 3.944 20 0 BHADRN CCCC[C@H](C)Nc1ccc(C)c(NC(C)=O)c1 ZINC000037314480 343343550 /nfs/dbraw/zinc/34/35/50/343343550.db2.gz PKVHTOIOFKGQIY-LBPRGKRZSA-N 0 0 248.370 3.944 20 0 BHADRN CC[C@H](Nc1ccc(C)c(NC(C)=O)c1)C(C)C ZINC000037314481 343343506 /nfs/dbraw/zinc/34/35/06/343343506.db2.gz MJAPYHLCCZTMNG-AWEZNQCLSA-N 0 0 248.370 3.800 20 0 BHADRN CC[C@@H](Nc1ccc(C)c(NC(C)=O)c1)C(C)C ZINC000037314482 343343534 /nfs/dbraw/zinc/34/35/34/343343534.db2.gz MJAPYHLCCZTMNG-CQSZACIVSA-N 0 0 248.370 3.800 20 0 BHADRN CCCC[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2 ZINC000037315302 168950597 /nfs/dbraw/zinc/95/05/97/168950597.db2.gz UJMLPPBMHKIASX-LLVKDONJSA-N 0 0 246.354 3.562 20 0 BHADRN CCCC[C@H](C)Nc1ccc2c(c1)CCC(=O)N2 ZINC000037315303 343343414 /nfs/dbraw/zinc/34/34/14/343343414.db2.gz UJMLPPBMHKIASX-NSHDSACASA-N 0 0 246.354 3.562 20 0 BHADRN CCCC[C@@H](C)Nc1cc(NC(C)=O)ccc1C ZINC000037315857 324566535 /nfs/dbraw/zinc/56/65/35/324566535.db2.gz PXSUOEWIZZPWIX-GFCCVEGCSA-N 0 0 248.370 3.944 20 0 BHADRN CCCC[C@H](C)Nc1cc(NC(C)=O)ccc1C ZINC000037315858 388642135 /nfs/dbraw/zinc/64/21/35/388642135.db2.gz PXSUOEWIZZPWIX-LBPRGKRZSA-N 0 0 248.370 3.944 20 0 BHADRN CC[C@H](Nc1cccc(-n2cccn2)c1)C(C)C ZINC000037315953 388641901 /nfs/dbraw/zinc/64/19/01/388641901.db2.gz BBRVTXGQPTYKTJ-HNNXBMFYSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](Nc1cccc(-n2cccn2)c1)C(C)C ZINC000037315954 324566704 /nfs/dbraw/zinc/56/67/04/324566704.db2.gz BBRVTXGQPTYKTJ-OAHLLOKOSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@H](Nc1cccc(-c2cc[nH]n2)c1)C(C)C ZINC000037317809 324566623 /nfs/dbraw/zinc/56/66/23/324566623.db2.gz HZMCLQYEMSYCSL-AWEZNQCLSA-N 0 0 243.354 3.923 20 0 BHADRN CC[C@@H](Nc1cccc(-c2cc[nH]n2)c1)C(C)C ZINC000037317810 388642150 /nfs/dbraw/zinc/64/21/50/388642150.db2.gz HZMCLQYEMSYCSL-CQSZACIVSA-N 0 0 243.354 3.923 20 0 BHADRN CC(C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000037328676 167290553 /nfs/dbraw/zinc/29/05/53/167290553.db2.gz KKMIKYNTBXAPHH-UHFFFAOYSA-N 0 0 240.302 3.705 20 0 BHADRN CC(=O)CCCCSc1ccc(F)c(F)c1 ZINC000037330970 188287000 /nfs/dbraw/zinc/28/70/00/188287000.db2.gz YVVWQOQAQXCWRE-UHFFFAOYSA-N 0 0 244.306 3.816 20 0 BHADRN CC(=O)CCCCSc1ccc(F)cc1F ZINC000037330980 342927699 /nfs/dbraw/zinc/92/76/99/342927699.db2.gz HGAJNDRWXRKDKY-UHFFFAOYSA-N 0 0 244.306 3.816 20 0 BHADRN COc1cccc(SCCCCC(C)=O)c1 ZINC000037331224 342927527 /nfs/dbraw/zinc/92/75/27/342927527.db2.gz WTYFEMIFTYPGKW-UHFFFAOYSA-N 0 0 238.352 3.547 20 0 BHADRN COc1ccc(SCCCCC(C)=O)cc1 ZINC000037331266 175175571 /nfs/dbraw/zinc/17/55/71/175175571.db2.gz RPZNDEIETKKEHW-UHFFFAOYSA-N 0 0 238.352 3.547 20 0 BHADRN CC(=O)CCCCSc1nc2ccccc2o1 ZINC000037331336 387563304 /nfs/dbraw/zinc/56/33/04/387563304.db2.gz CEIHTMWBJAXWOB-UHFFFAOYSA-N 0 0 249.335 3.679 20 0 BHADRN CC(=O)CCCCSc1cc(F)ccc1F ZINC000037331386 342927170 /nfs/dbraw/zinc/92/71/70/342927170.db2.gz WWTXRNMEPKDGFW-UHFFFAOYSA-N 0 0 244.306 3.816 20 0 BHADRN O=C(CSc1ccccc1)Cc1ccccc1 ZINC000037353616 182009463 /nfs/dbraw/zinc/00/94/63/182009463.db2.gz WFWXYFCAUXDZBZ-UHFFFAOYSA-N 0 0 242.343 3.591 20 0 BHADRN Cc1ccccc1C(=O)CSc1ccccc1 ZINC000037353620 712572848 /nfs/dbraw/zinc/57/28/48/712572848.db2.gz JTTOLDYGKVPVMR-UHFFFAOYSA-N 0 0 242.343 3.970 20 0 BHADRN Cc1cccc(NCc2ccc3c(c2)CCO3)c1 ZINC000037362301 179150443 /nfs/dbraw/zinc/15/04/43/179150443.db2.gz SSCBDFNRAMGYAP-UHFFFAOYSA-N 0 0 239.318 3.542 20 0 BHADRN Cc1ccc(NCc2ccc3c(c2)CCO3)cc1 ZINC000037362707 178763754 /nfs/dbraw/zinc/76/37/54/178763754.db2.gz WZXZNUFYBWQSPN-UHFFFAOYSA-N 0 0 239.318 3.542 20 0 BHADRN Cc1ccccc1NCc1ccc2c(c1)CCO2 ZINC000037362713 179305683 /nfs/dbraw/zinc/30/56/83/179305683.db2.gz OGUSDVJWABWKIK-UHFFFAOYSA-N 0 0 239.318 3.542 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Nc1ncnc2ccsc21 ZINC000037375097 176081713 /nfs/dbraw/zinc/08/17/13/176081713.db2.gz RGKPUURNWZLLLQ-ZJUUUORDSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@H]1CCCC[C@@H]1Nc1ncnc2ccsc21 ZINC000037375099 177083766 /nfs/dbraw/zinc/08/37/66/177083766.db2.gz RGKPUURNWZLLLQ-UWVGGRQHSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@@H]1CCCC[C@H]1Nc1ncnc2ccsc21 ZINC000037375101 176089498 /nfs/dbraw/zinc/08/94/98/176089498.db2.gz RGKPUURNWZLLLQ-NXEZZACHSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@H]1CCCC[C@H]1Nc1ncnc2ccsc21 ZINC000037375103 177089622 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0 0 233.286 3.578 20 0 BHADRN C[C@H](Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000037498285 343347648 /nfs/dbraw/zinc/34/76/48/343347648.db2.gz WCWKLHIAOAHWQU-NSHDSACASA-N 0 0 237.306 3.736 20 0 BHADRN C[C@@H](Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000037498286 175936776 /nfs/dbraw/zinc/93/67/76/175936776.db2.gz WCWKLHIAOAHWQU-LLVKDONJSA-N 0 0 237.306 3.736 20 0 BHADRN Cc1cc(NC2CCCCCCC2)nc(C)n1 ZINC000037498420 712655833 /nfs/dbraw/zinc/65/58/33/712655833.db2.gz FUTYMZIZTURZDD-UHFFFAOYSA-N 0 0 233.359 3.618 20 0 BHADRN Cc1noc(C)c1CNc1c(C)cc(C)cc1C ZINC000037499786 324569658 /nfs/dbraw/zinc/56/96/58/324569658.db2.gz MKNYVVZCZYSXPL-UHFFFAOYSA-N 0 0 244.338 3.829 20 0 BHADRN O=C(NCCC1CCCCC1)c1ccccc1F ZINC000037500451 323287427 /nfs/dbraw/zinc/28/74/27/323287427.db2.gz OTMWZKKSYGFNHY-UHFFFAOYSA-N 0 0 249.329 3.526 20 0 BHADRN O=C(NCCC1CCCCC1)c1ccc(F)cc1 ZINC000037500452 182159052 /nfs/dbraw/zinc/15/90/52/182159052.db2.gz OZZTVKNJZYWPNT-UHFFFAOYSA-N 0 0 249.329 3.526 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ncnc3ccccc32)C1 ZINC000037500600 176146070 /nfs/dbraw/zinc/14/60/70/176146070.db2.gz AGRQQEKSXSHNFJ-NEPJUHHUSA-N 0 0 241.338 3.620 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ncnc3ccccc32)C1 ZINC000037500601 177138012 /nfs/dbraw/zinc/13/80/12/177138012.db2.gz AGRQQEKSXSHNFJ-RYUDHWBXSA-N 0 0 241.338 3.620 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000037500602 176125186 /nfs/dbraw/zinc/12/51/86/176125186.db2.gz AGRQQEKSXSHNFJ-VXGBXAGGSA-N 0 0 241.338 3.620 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000037500603 385048986 /nfs/dbraw/zinc/04/89/86/385048986.db2.gz AGRQQEKSXSHNFJ-NWDGAFQWSA-N 0 0 241.338 3.620 20 0 BHADRN CCc1cccc(C)c1NCc1c(C)noc1C ZINC000037500623 387566158 /nfs/dbraw/zinc/56/61/58/387566158.db2.gz IYJHFSOSYWDOFW-UHFFFAOYSA-N 0 0 244.338 3.774 20 0 BHADRN c1csc(NCCC2CCCCC2)n1 ZINC000037501531 712656035 /nfs/dbraw/zinc/65/60/35/712656035.db2.gz UKDZZQVZDOTDKY-UHFFFAOYSA-N 0 0 210.346 3.525 20 0 BHADRN Cc1cccc(NCc2ccc(Cl)o2)c1 ZINC000037503775 322828566 /nfs/dbraw/zinc/82/85/66/322828566.db2.gz NBYCMJJQCALJRV-UHFFFAOYSA-N 0 0 221.687 3.854 20 0 BHADRN Clc1ccc(CNc2ccccc2)o1 ZINC000037503778 348627899 /nfs/dbraw/zinc/62/78/99/348627899.db2.gz XGCZXKGSSJZRQO-UHFFFAOYSA-N 0 0 207.660 3.545 20 0 BHADRN COc1ccccc1NCc1ccc(Cl)o1 ZINC000037503790 175337947 /nfs/dbraw/zinc/33/79/47/175337947.db2.gz FQNAXOSPPDJMOR-UHFFFAOYSA-N 0 0 237.686 3.554 20 0 BHADRN Fc1ccc(F)c(NCc2ccc(Cl)o2)c1 ZINC000037503817 323289825 /nfs/dbraw/zinc/28/98/25/323289825.db2.gz FZSJJUYIGYTGRF-UHFFFAOYSA-N 0 0 243.640 3.823 20 0 BHADRN Fc1ccc(NCc2ccc(Cl)o2)cc1F ZINC000037503844 388644765 /nfs/dbraw/zinc/64/47/65/388644765.db2.gz MIWSIFACABPMEB-UHFFFAOYSA-N 0 0 243.640 3.823 20 0 BHADRN Fc1cccc(NCc2ccc(Cl)o2)c1 ZINC000037503847 181001740 /nfs/dbraw/zinc/00/17/40/181001740.db2.gz FYJGVGVDWRHNSN-UHFFFAOYSA-N 0 0 225.650 3.684 20 0 BHADRN Fc1ccc(NCc2ccc(Cl)o2)cc1 ZINC000037503853 342937925 /nfs/dbraw/zinc/93/79/25/342937925.db2.gz XXKDEVJVKUIOGD-UHFFFAOYSA-N 0 0 225.650 3.684 20 0 BHADRN Fc1ccccc1NCc1ccc(Cl)o1 ZINC000037503855 181014227 /nfs/dbraw/zinc/01/42/27/181014227.db2.gz WQAXRQMGGRMZJH-UHFFFAOYSA-N 0 0 225.650 3.684 20 0 BHADRN Fc1ccc(NCc2ccc(Cl)o2)c(F)c1 ZINC000037503858 323289667 /nfs/dbraw/zinc/28/96/67/323289667.db2.gz ZTDJKDOIGSKDBD-UHFFFAOYSA-N 0 0 243.640 3.823 20 0 BHADRN Cc1ccc(F)cc1NCc1ccc(Cl)o1 ZINC000037503860 323289678 /nfs/dbraw/zinc/28/96/78/323289678.db2.gz HYTULJPJJCKYDU-UHFFFAOYSA-N 0 0 239.677 3.993 20 0 BHADRN Cc1ccc(NCc2ccc(Cl)o2)cc1F ZINC000037503862 323289689 /nfs/dbraw/zinc/28/96/89/323289689.db2.gz KCFMURRPVDMBCG-UHFFFAOYSA-N 0 0 239.677 3.993 20 0 BHADRN Cc1cc(F)ccc1NCc1ccc(Cl)o1 ZINC000037503864 323289786 /nfs/dbraw/zinc/28/97/86/323289786.db2.gz UQKYZUFJXZLHMH-UHFFFAOYSA-N 0 0 239.677 3.993 20 0 BHADRN Fc1cc(F)cc(NCc2ccc(Cl)o2)c1 ZINC000037503865 323289907 /nfs/dbraw/zinc/28/99/07/323289907.db2.gz RDOYULBJTVPRSP-UHFFFAOYSA-N 0 0 243.640 3.823 20 0 BHADRN COc1cccc(NCc2ccc(Cl)o2)c1 ZINC000037503867 175279527 /nfs/dbraw/zinc/27/95/27/175279527.db2.gz ZQCKOEFZYBKQGD-UHFFFAOYSA-N 0 0 237.686 3.554 20 0 BHADRN Cc1ccc(NCc2ccc(Cl)o2)cc1 ZINC000037503869 322828621 /nfs/dbraw/zinc/82/86/21/322828621.db2.gz VFCMYAZWWBZUNK-UHFFFAOYSA-N 0 0 221.687 3.854 20 0 BHADRN COc1ccc(NCc2ccc(Cl)o2)cc1 ZINC000037503871 175152543 /nfs/dbraw/zinc/15/25/43/175152543.db2.gz JLHUSXVCYMCGDI-UHFFFAOYSA-N 0 0 237.686 3.554 20 0 BHADRN Cc1ccccc1NCc1ccc(Cl)o1 ZINC000037503872 384507495 /nfs/dbraw/zinc/50/74/95/384507495.db2.gz FRUOKJHOCPHYPO-UHFFFAOYSA-N 0 0 221.687 3.854 20 0 BHADRN Cc1ccc(NCc2ccc(Cl)o2)c(F)c1 ZINC000037503918 388644559 /nfs/dbraw/zinc/64/45/59/388644559.db2.gz VZFAIAINKMBIDN-UHFFFAOYSA-N 0 0 239.677 3.993 20 0 BHADRN Cc1ccc(F)c(NCc2ccc(Cl)o2)c1 ZINC000037503923 388644749 /nfs/dbraw/zinc/64/47/49/388644749.db2.gz AKLYESXVNGYEQX-UHFFFAOYSA-N 0 0 239.677 3.993 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccccc1N(C)C ZINC000037509148 324570799 /nfs/dbraw/zinc/57/07/99/324570799.db2.gz OZSUTUGWYYPUDY-VXGBXAGGSA-N 0 0 220.360 3.599 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccccc1N(C)C ZINC000037509149 324570905 /nfs/dbraw/zinc/57/09/05/324570905.db2.gz OZSUTUGWYYPUDY-NWDGAFQWSA-N 0 0 220.360 3.599 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccccc1N(C)C ZINC000037509150 324571074 /nfs/dbraw/zinc/57/10/74/324571074.db2.gz OZSUTUGWYYPUDY-NEPJUHHUSA-N 0 0 220.360 3.599 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccccc1N(C)C ZINC000037509151 324570891 /nfs/dbraw/zinc/57/08/91/324570891.db2.gz OZSUTUGWYYPUDY-RYUDHWBXSA-N 0 0 220.360 3.599 20 0 BHADRN CC(C)c1ccc([C@@H](C)Nc2ccn(C)n2)cc1 ZINC000037560925 343348138 /nfs/dbraw/zinc/34/81/38/343348138.db2.gz ZBRIZXURYQYEBW-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1ccc([C@H](C)Nc2ccn(C)n2)cc1 ZINC000037560926 167619755 /nfs/dbraw/zinc/61/97/55/167619755.db2.gz ZBRIZXURYQYEBW-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN CC[C@H](Nc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000037560994 343348319 /nfs/dbraw/zinc/34/83/19/343348319.db2.gz OWBNPNABLYSGBA-LBPRGKRZSA-N 0 0 249.745 3.637 20 0 BHADRN CC[C@@H](Nc1ccn(C)n1)c1ccc(Cl)cc1 ZINC000037560995 343348323 /nfs/dbraw/zinc/34/83/23/343348323.db2.gz OWBNPNABLYSGBA-GFCCVEGCSA-N 0 0 249.745 3.637 20 0 BHADRN CCCCSc1c(OC)cccc1OC ZINC000037628207 388645784 /nfs/dbraw/zinc/64/57/84/388645784.db2.gz ZJRXHXIPGDYVAO-UHFFFAOYSA-N 0 0 226.341 3.596 20 0 BHADRN c1[nH]c(CNc2ccccc2)nc1-c1ccccc1 ZINC000037635488 384506668 /nfs/dbraw/zinc/50/66/68/384506668.db2.gz XNXCEWHGPMYFQN-UHFFFAOYSA-N 0 0 249.317 3.689 20 0 BHADRN CC[C@H](Nc1ccccc1N(C)C)C(C)C ZINC000037652076 388646648 /nfs/dbraw/zinc/64/66/48/388646648.db2.gz YEQNKKNMWPGDNA-LBPRGKRZSA-N 0 0 220.360 3.599 20 0 BHADRN CC[C@@H](Nc1ccccc1N(C)C)C(C)C ZINC000037652077 324572228 /nfs/dbraw/zinc/57/22/28/324572228.db2.gz YEQNKKNMWPGDNA-GFCCVEGCSA-N 0 0 220.360 3.599 20 0 BHADRN Cc1ccccc1SCc1cccc(N)c1 ZINC000037665631 358090912 /nfs/dbraw/zinc/09/09/12/358090912.db2.gz REWPEWBMPOSKOT-UHFFFAOYSA-N 0 0 229.348 3.870 20 0 BHADRN Cc1ccccc1Sc1cncc(Cl)n1 ZINC000037666027 179316207 /nfs/dbraw/zinc/31/62/07/179316207.db2.gz UXMISIBRDZDNGS-UHFFFAOYSA-N 0 0 236.727 3.590 20 0 BHADRN Cc1ccccc1S[C@@H]1CCCCC1=O ZINC000037666115 350286302 /nfs/dbraw/zinc/28/63/02/350286302.db2.gz BHHUFMPJGLVKIY-CYBMUJFWSA-N 0 0 220.337 3.599 20 0 BHADRN Cc1ccccc1S[C@H]1CCCCC1=O ZINC000037666116 179316213 /nfs/dbraw/zinc/31/62/13/179316213.db2.gz BHHUFMPJGLVKIY-ZDUSSCGKSA-N 0 0 220.337 3.599 20 0 BHADRN Cc1ccccc1SCC(=O)c1ccccc1 ZINC000037666119 179315314 /nfs/dbraw/zinc/31/53/14/179315314.db2.gz AUFNNZFQYKBNRU-UHFFFAOYSA-N 0 0 242.343 3.970 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccccc2)n1 ZINC000037670501 179152918 /nfs/dbraw/zinc/15/29/18/179152918.db2.gz OARADQLVKVPBEH-LBPRGKRZSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccccc2)n1 ZINC000037670503 179155891 /nfs/dbraw/zinc/15/58/91/179155891.db2.gz OARADQLVKVPBEH-GFCCVEGCSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1cccc(NCc2ccccc2Cl)n1 ZINC000037670537 179149996 /nfs/dbraw/zinc/14/99/96/179149996.db2.gz RDOXDUZRSZKAEM-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Clc1cncc(SC2CCCCC2)n1 ZINC000037685966 344555668 /nfs/dbraw/zinc/55/56/68/344555668.db2.gz NPWDDMUCIZBWFA-UHFFFAOYSA-N 0 0 228.748 3.555 20 0 BHADRN Clc1ccc(SC2CCCCC2)nn1 ZINC000037685967 180584274 /nfs/dbraw/zinc/58/42/74/180584274.db2.gz IOSMRKKYBLFVBW-UHFFFAOYSA-N 0 0 228.748 3.555 20 0 BHADRN CC[C@H](O)COc1ccc(C(C)(C)CC)cc1 ZINC000037695447 324571716 /nfs/dbraw/zinc/57/17/16/324571716.db2.gz UTCIWVWOVQXEIA-ZDUSSCGKSA-N 0 0 236.355 3.524 20 0 BHADRN CC[C@@H](O)COc1ccc(C(C)(C)CC)cc1 ZINC000037695449 323339161 /nfs/dbraw/zinc/33/91/61/323339161.db2.gz UTCIWVWOVQXEIA-CYBMUJFWSA-N 0 0 236.355 3.524 20 0 BHADRN CCC(C)(C)c1ccc(OCC(C)(C)O)cc1 ZINC000037695464 388646017 /nfs/dbraw/zinc/64/60/17/388646017.db2.gz FVAFACJONKNRAL-UHFFFAOYSA-N 0 0 236.355 3.524 20 0 BHADRN CC[C@H](O)COc1ccccc1-c1ccccc1 ZINC000037696282 171579939 /nfs/dbraw/zinc/57/99/39/171579939.db2.gz ISZGFYVMHSRARL-AWEZNQCLSA-N 0 0 242.318 3.503 20 0 BHADRN CC[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000037696284 343351833 /nfs/dbraw/zinc/35/18/33/343351833.db2.gz ISZGFYVMHSRARL-CQSZACIVSA-N 0 0 242.318 3.503 20 0 BHADRN CC(C)(O)COc1ccccc1-c1ccccc1 ZINC000037696301 343351907 /nfs/dbraw/zinc/35/19/07/343351907.db2.gz UAXXOGPBMGIFPR-UHFFFAOYSA-N 0 0 242.318 3.503 20 0 BHADRN CC[C@H](O)CSc1ccc(C(C)C)cc1 ZINC000037697182 384510764 /nfs/dbraw/zinc/51/07/64/384510764.db2.gz UYMXQBOTGHDYOM-LBPRGKRZSA-N 0 0 224.369 3.673 20 0 BHADRN CC[C@@H](O)CSc1ccc(C(C)C)cc1 ZINC000037697183 322828817 /nfs/dbraw/zinc/82/88/17/322828817.db2.gz UYMXQBOTGHDYOM-GFCCVEGCSA-N 0 0 224.369 3.673 20 0 BHADRN CC(C)c1ccc(SCC(C)(C)O)cc1 ZINC000037697184 322828946 /nfs/dbraw/zinc/82/89/46/322828946.db2.gz VEIJEWUECSWQOG-UHFFFAOYSA-N 0 0 224.369 3.673 20 0 BHADRN CC[C@H](O)CSc1ccc2ccccc2c1 ZINC000037697320 323340001 /nfs/dbraw/zinc/34/00/01/323340001.db2.gz QKBQFGNPMRBVES-ZDUSSCGKSA-N 0 0 232.348 3.703 20 0 BHADRN CC[C@@H](O)CSc1ccc2ccccc2c1 ZINC000037697321 323339951 /nfs/dbraw/zinc/33/99/51/323339951.db2.gz QKBQFGNPMRBVES-CYBMUJFWSA-N 0 0 232.348 3.703 20 0 BHADRN CC(C)(O)CSc1ccc2ccccc2c1 ZINC000037697322 323339938 /nfs/dbraw/zinc/33/99/38/323339938.db2.gz UVQQEYYFCUICOI-UHFFFAOYSA-N 0 0 232.348 3.703 20 0 BHADRN Cc1nc([C@H](C)NCc2ccccc2C)cs1 ZINC000037719028 180048896 /nfs/dbraw/zinc/04/88/96/180048896.db2.gz JOWLPRRWKLJMTO-NSHDSACASA-N 0 0 246.379 3.611 20 0 BHADRN Cc1nc([C@@H](C)NCc2ccccc2C)cs1 ZINC000037719029 180037362 /nfs/dbraw/zinc/03/73/62/180037362.db2.gz JOWLPRRWKLJMTO-LLVKDONJSA-N 0 0 246.379 3.611 20 0 BHADRN COc1ccc(NCCC(C)(C)C)cc1F ZINC000037731385 175150290 /nfs/dbraw/zinc/15/02/90/175150290.db2.gz HNFYNHKXSLPMCN-UHFFFAOYSA-N 0 0 225.307 3.682 20 0 BHADRN Clc1ccc(NCCC2CCCC2)nc1 ZINC000037741473 388647480 /nfs/dbraw/zinc/64/74/80/388647480.db2.gz KZHQWLVBMLZQLQ-UHFFFAOYSA-N 0 0 224.735 3.727 20 0 BHADRN Cc1ccc(NCCC2CCCCC2)nc1 ZINC000037742011 711481332 /nfs/dbraw/zinc/48/13/32/711481332.db2.gz LEGBFSUSZCFVMH-UHFFFAOYSA-N 0 0 218.344 3.772 20 0 BHADRN FC(F)CNC(c1ccccc1)c1ccccc1 ZINC000037755856 343353664 /nfs/dbraw/zinc/35/36/64/343353664.db2.gz UWVOBOPRYQQKSI-UHFFFAOYSA-N 0 0 247.288 3.631 20 0 BHADRN Cc1nc(CNc2c(C)cc(C)cc2C)cs1 ZINC000037763672 385315973 /nfs/dbraw/zinc/31/59/73/385315973.db2.gz NOKKPLSNPHLSAI-UHFFFAOYSA-N 0 0 246.379 3.989 20 0 BHADRN CCc1cccc(C)c1NCc1ccccn1 ZINC000037763749 171854292 /nfs/dbraw/zinc/85/42/92/171854292.db2.gz IXQAFQNBNYKZAG-UHFFFAOYSA-N 0 0 226.323 3.565 20 0 BHADRN CCc1cccc(C)c1NCc1cccnc1 ZINC000037763793 712755485 /nfs/dbraw/zinc/75/54/85/712755485.db2.gz IQFMPDUPFUYPMW-UHFFFAOYSA-N 0 0 226.323 3.565 20 0 BHADRN Cc1nc(CN[C@H](C)c2ccc(C)cc2)cs1 ZINC000037770749 384013554 /nfs/dbraw/zinc/01/35/54/384013554.db2.gz QDFKPXRUJMJUOS-LLVKDONJSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1nc(CN[C@@H](C)c2ccc(C)cc2)cs1 ZINC000037770750 178894303 /nfs/dbraw/zinc/89/43/03/178894303.db2.gz QDFKPXRUJMJUOS-NSHDSACASA-N 0 0 246.379 3.611 20 0 BHADRN CCC(CC)Nc1ccc(Cn2cccn2)cc1 ZINC000037772777 324576243 /nfs/dbraw/zinc/57/62/43/324576243.db2.gz MXCUCBPWBIUTJF-UHFFFAOYSA-N 0 0 243.354 3.532 20 0 BHADRN CCOc1ccc(N[C@@H](C)C2CC2)cc1Cl ZINC000037773274 712755226 /nfs/dbraw/zinc/75/52/26/712755226.db2.gz OKYKLJRBEYPYQU-VIFPVBQESA-N 0 0 239.746 3.949 20 0 BHADRN CCOc1ccc(N[C@H](C)C2CC2)cc1Cl ZINC000037773275 712755322 /nfs/dbraw/zinc/75/53/22/712755322.db2.gz OKYKLJRBEYPYQU-SECBINFHSA-N 0 0 239.746 3.949 20 0 BHADRN CCOc1ccc(NC(C)C)cc1Cl ZINC000037773296 364702840 /nfs/dbraw/zinc/70/28/40/364702840.db2.gz QCGMYZNEFCDWBV-UHFFFAOYSA-N 0 0 213.708 3.559 20 0 BHADRN CCCCNc1ccc(OCC)c(Cl)c1 ZINC000037773304 712755275 /nfs/dbraw/zinc/75/52/75/712755275.db2.gz YHTIEZJUIKTNHE-UHFFFAOYSA-N 0 0 227.735 3.951 20 0 BHADRN CCOc1ccc(NCC(C)C)cc1Cl ZINC000037773357 170552389 /nfs/dbraw/zinc/55/23/89/170552389.db2.gz LGCXCOYVGSGJLZ-UHFFFAOYSA-N 0 0 227.735 3.807 20 0 BHADRN CCOc1ccc(NCC2CC2)cc1Cl ZINC000037773437 712755242 /nfs/dbraw/zinc/75/52/42/712755242.db2.gz SIMXDIRKIIIKHU-UHFFFAOYSA-N 0 0 225.719 3.561 20 0 BHADRN CC(C)CNc1cc(Cl)ccc1-n1cccn1 ZINC000037774424 167014707 /nfs/dbraw/zinc/01/47/07/167014707.db2.gz HAEBMTDWEJAFAO-UHFFFAOYSA-N 0 0 249.745 3.594 20 0 BHADRN C[C@H](Nc1ccc(-c2cnco2)cc1)C1CC1 ZINC000037775241 343354489 /nfs/dbraw/zinc/35/44/89/343354489.db2.gz BDBBAIFFYYKPKI-JTQLQIEISA-N 0 0 228.295 3.552 20 0 BHADRN C[C@@H](Nc1ccc(-c2cnco2)cc1)C1CC1 ZINC000037775242 490113424 /nfs/dbraw/zinc/11/34/24/490113424.db2.gz BDBBAIFFYYKPKI-SNVBAGLBSA-N 0 0 228.295 3.552 20 0 BHADRN CCCCNc1ccc(-c2cnco2)cc1 ZINC000037775265 711481312 /nfs/dbraw/zinc/48/13/12/711481312.db2.gz LUNGHNNKVLTDSQ-UHFFFAOYSA-N 0 0 216.284 3.554 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(-c2cnco2)cc1 ZINC000037775282 167385508 /nfs/dbraw/zinc/38/55/08/167385508.db2.gz QHXCEQWPXUQTDJ-LLVKDONJSA-N 0 0 230.311 3.798 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(-c2cnco2)cc1 ZINC000037775283 384012974 /nfs/dbraw/zinc/01/29/74/384012974.db2.gz QHXCEQWPXUQTDJ-NSHDSACASA-N 0 0 230.311 3.798 20 0 BHADRN CCC(CC)Nc1ccc(-c2cnco2)cc1 ZINC000037775298 168393370 /nfs/dbraw/zinc/39/33/70/168393370.db2.gz LMTPTKZORQSFGA-UHFFFAOYSA-N 0 0 230.311 3.942 20 0 BHADRN c1ncc(-c2ccc(NC3CCCC3)cc2)o1 ZINC000037775309 343354808 /nfs/dbraw/zinc/35/48/08/343354808.db2.gz VTQUMGMRYJGOEM-UHFFFAOYSA-N 0 0 228.295 3.696 20 0 BHADRN c1coc(CNc2ccc(-c3cnco3)cc2)c1 ZINC000037775332 183511707 /nfs/dbraw/zinc/51/17/07/183511707.db2.gz YRWKRFYIOBQJPV-UHFFFAOYSA-N 0 0 240.262 3.547 20 0 BHADRN CC[C@@H](C)CNc1ccc(-c2cnco2)cc1 ZINC000037775442 363897029 /nfs/dbraw/zinc/89/70/29/363897029.db2.gz VLZYYAYVVYIYKQ-LLVKDONJSA-N 0 0 230.311 3.800 20 0 BHADRN CC[C@H](C)CNc1ccc(-c2cnco2)cc1 ZINC000037775443 171288375 /nfs/dbraw/zinc/28/83/75/171288375.db2.gz VLZYYAYVVYIYKQ-NSHDSACASA-N 0 0 230.311 3.800 20 0 BHADRN CC(C)COc1cccc(N[C@@H](C)C2CC2)c1 ZINC000037775718 388648884 /nfs/dbraw/zinc/64/88/84/388648884.db2.gz AQCIBVXLFSOLRU-LBPRGKRZSA-N 0 0 233.355 3.932 20 0 BHADRN CC(C)COc1cccc(N[C@H](C)C2CC2)c1 ZINC000037775719 363898001 /nfs/dbraw/zinc/89/80/01/363898001.db2.gz AQCIBVXLFSOLRU-GFCCVEGCSA-N 0 0 233.355 3.932 20 0 BHADRN CC(C)COc1cccc(NC(C)C)c1 ZINC000037775730 384529113 /nfs/dbraw/zinc/52/91/13/384529113.db2.gz LGXSWDDHZWSVQZ-UHFFFAOYSA-N 0 0 207.317 3.542 20 0 BHADRN CCCCNc1cccc(OCC(C)C)c1 ZINC000037775735 712756602 /nfs/dbraw/zinc/75/66/02/712756602.db2.gz PJJXKRLOVJSHJK-UHFFFAOYSA-N 0 0 221.344 3.933 20 0 BHADRN CC(C)COc1cccc(NCc2ccco2)c1 ZINC000037775761 324575950 /nfs/dbraw/zinc/57/59/50/324575950.db2.gz XOHBABGQQFGXSE-UHFFFAOYSA-N 0 0 245.322 3.927 20 0 BHADRN CC(C)COc1cccc(NCC2CC2)c1 ZINC000037775810 388648906 /nfs/dbraw/zinc/64/89/06/388648906.db2.gz VRCBINYIZVIAPE-UHFFFAOYSA-N 0 0 219.328 3.543 20 0 BHADRN COC(=O)Nc1cccc(NC2CCCCC2)c1 ZINC000037776330 343354529 /nfs/dbraw/zinc/35/45/29/343354529.db2.gz LBWVPRDXYUAQOD-UHFFFAOYSA-N 0 0 248.326 3.610 20 0 BHADRN C[C@H](Nc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000037776466 711480878 /nfs/dbraw/zinc/48/08/78/711480878.db2.gz BQQZPSQNYLPULB-ZETCQYMHSA-N 0 0 245.244 3.638 20 0 BHADRN C[C@@H](Nc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000037776467 712756516 /nfs/dbraw/zinc/75/65/16/712756516.db2.gz BQQZPSQNYLPULB-SSDOTTSWSA-N 0 0 245.244 3.638 20 0 BHADRN CCCCNc1ccc(OC(F)F)c(F)c1 ZINC000037776490 712756579 /nfs/dbraw/zinc/75/65/79/712756579.db2.gz MMZXHBRHKUHRKU-UHFFFAOYSA-N 0 0 233.233 3.639 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(OC(F)F)c(F)c1 ZINC000037776504 167385353 /nfs/dbraw/zinc/38/53/53/167385353.db2.gz YPXYQVQCPZMDJO-MRVPVSSYSA-N 0 0 247.260 3.884 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(OC(F)F)c(F)c1 ZINC000037776505 712756630 /nfs/dbraw/zinc/75/66/30/712756630.db2.gz YPXYQVQCPZMDJO-QMMMGPOBSA-N 0 0 247.260 3.884 20 0 BHADRN Fc1cc(NC2CCCC2)ccc1OC(F)F ZINC000037776531 712756589 /nfs/dbraw/zinc/75/65/89/712756589.db2.gz DGWFEHSPPATFSU-UHFFFAOYSA-N 0 0 245.244 3.782 20 0 BHADRN CC(C)CCNc1ccc(OC(F)F)c(F)c1 ZINC000037776558 712756651 /nfs/dbraw/zinc/75/66/51/712756651.db2.gz JIBZLXRRNZNRCW-UHFFFAOYSA-N 0 0 247.260 3.885 20 0 BHADRN CC[C@@H](C)CNc1ccc(OC(F)F)c(F)c1 ZINC000037776644 170709736 /nfs/dbraw/zinc/70/97/36/170709736.db2.gz VQHLEPKNZKUPTN-MRVPVSSYSA-N 0 0 247.260 3.885 20 0 BHADRN CC[C@H](C)CNc1ccc(OC(F)F)c(F)c1 ZINC000037776645 171287830 /nfs/dbraw/zinc/28/78/30/171287830.db2.gz VQHLEPKNZKUPTN-QMMMGPOBSA-N 0 0 247.260 3.885 20 0 BHADRN CCCOc1ccc(Cl)cc1NCC ZINC000037777831 322829856 /nfs/dbraw/zinc/82/98/56/322829856.db2.gz MQIWXSZXXMKQNZ-UHFFFAOYSA-N 0 0 213.708 3.561 20 0 BHADRN CCOc1cc(C)ccc1N[C@@H](C)C1CC1 ZINC000037777897 324576045 /nfs/dbraw/zinc/57/60/45/324576045.db2.gz DOEIZLMMIUJGBB-NSHDSACASA-N 0 0 219.328 3.604 20 0 BHADRN CCOc1cc(C)ccc1N[C@H](C)C1CC1 ZINC000037777898 388648292 /nfs/dbraw/zinc/64/82/92/388648292.db2.gz DOEIZLMMIUJGBB-LLVKDONJSA-N 0 0 219.328 3.604 20 0 BHADRN CCCCNc1ccc(C)cc1OCC ZINC000037777928 384532546 /nfs/dbraw/zinc/53/25/46/384532546.db2.gz QTOZPLPTZIINBP-UHFFFAOYSA-N 0 0 207.317 3.606 20 0 BHADRN CCOc1cc(C)ccc1NC1CCCC1 ZINC000037777978 388648333 /nfs/dbraw/zinc/64/83/33/388648333.db2.gz KBVWYRYJJREVIP-UHFFFAOYSA-N 0 0 219.328 3.748 20 0 BHADRN CCOc1cc(C)ccc1NCc1ccco1 ZINC000037777988 343354707 /nfs/dbraw/zinc/35/47/07/343354707.db2.gz JONXNWBGJNXCCT-UHFFFAOYSA-N 0 0 231.295 3.599 20 0 BHADRN CCOc1cc(C)ccc1NCc1ccc(C)o1 ZINC000037777990 358477433 /nfs/dbraw/zinc/47/74/33/358477433.db2.gz KYPZXFZDGWMCCG-UHFFFAOYSA-N 0 0 245.322 3.907 20 0 BHADRN CCCOc1cc(C)ccc1NC(C)C ZINC000037778150 322829847 /nfs/dbraw/zinc/82/98/47/322829847.db2.gz AVCBOVSCAOOXQE-UHFFFAOYSA-N 0 0 207.317 3.604 20 0 BHADRN CCCOc1cc(C)ccc1NCc1ccco1 ZINC000037778178 388648867 /nfs/dbraw/zinc/64/88/67/388648867.db2.gz AIJOAPYLAUYEPV-UHFFFAOYSA-N 0 0 245.322 3.989 20 0 BHADRN CCCOc1cc(C)ccc1NCC1CC1 ZINC000037778225 388648002 /nfs/dbraw/zinc/64/80/02/388648002.db2.gz CLHBZFPQIBKMTC-UHFFFAOYSA-N 0 0 219.328 3.606 20 0 BHADRN CC(C)Nc1cccc(-c2nccs2)c1 ZINC000037778274 167146321 /nfs/dbraw/zinc/14/63/21/167146321.db2.gz UVVHCGRHDHPQTP-UHFFFAOYSA-N 0 0 218.325 3.630 20 0 BHADRN CC(C)CNc1cccc(-c2nccs2)c1 ZINC000037778339 324576114 /nfs/dbraw/zinc/57/61/14/324576114.db2.gz OBWAKHCLGVGEJF-UHFFFAOYSA-N 0 0 232.352 3.878 20 0 BHADRN c1csc(-c2cccc(NCC3CC3)c2)n1 ZINC000037778423 183356924 /nfs/dbraw/zinc/35/69/24/183356924.db2.gz UDDXUJIHDVONJG-UHFFFAOYSA-N 0 0 230.336 3.632 20 0 BHADRN C[C@H](Nc1cccc(-c2cnco2)c1)C1CC1 ZINC000037779445 176935305 /nfs/dbraw/zinc/93/53/05/176935305.db2.gz MUICEGGHNPPTPQ-JTQLQIEISA-N 0 0 228.295 3.552 20 0 BHADRN C[C@@H](Nc1cccc(-c2cnco2)c1)C1CC1 ZINC000037779446 363897922 /nfs/dbraw/zinc/89/79/22/363897922.db2.gz MUICEGGHNPPTPQ-SNVBAGLBSA-N 0 0 228.295 3.552 20 0 BHADRN CCCCNc1cccc(-c2cnco2)c1 ZINC000037779469 712756531 /nfs/dbraw/zinc/75/65/31/712756531.db2.gz PFUBAMPCIMOXGG-UHFFFAOYSA-N 0 0 216.284 3.554 20 0 BHADRN CC(C)[C@@H](C)Nc1cccc(-c2cnco2)c1 ZINC000037779486 167386870 /nfs/dbraw/zinc/38/68/70/167386870.db2.gz XTQCKSHEYCKGJO-LLVKDONJSA-N 0 0 230.311 3.798 20 0 BHADRN CC(C)[C@H](C)Nc1cccc(-c2cnco2)c1 ZINC000037779487 187392135 /nfs/dbraw/zinc/39/21/35/187392135.db2.gz XTQCKSHEYCKGJO-NSHDSACASA-N 0 0 230.311 3.798 20 0 BHADRN CCC(CC)Nc1cccc(-c2cnco2)c1 ZINC000037779502 168393486 /nfs/dbraw/zinc/39/34/86/168393486.db2.gz TVFCBVYNMDIAPQ-UHFFFAOYSA-N 0 0 230.311 3.942 20 0 BHADRN c1ncc(-c2cccc(NC3CCCC3)c2)o1 ZINC000037779513 384013473 /nfs/dbraw/zinc/01/34/73/384013473.db2.gz BOKVLIRFESXLII-UHFFFAOYSA-N 0 0 228.295 3.696 20 0 BHADRN c1coc(CNc2cccc(-c3cnco3)c2)c1 ZINC000037779536 183357601 /nfs/dbraw/zinc/35/76/01/183357601.db2.gz ZEKUHPLYVTVCLW-UHFFFAOYSA-N 0 0 240.262 3.547 20 0 BHADRN CC[C@@H](C)Nc1cccc(-c2cnco2)c1 ZINC000037779573 358477404 /nfs/dbraw/zinc/47/74/04/358477404.db2.gz YRLZRVCVDZVNHR-SNVBAGLBSA-N 0 0 216.284 3.552 20 0 BHADRN CC[C@H](C)Nc1cccc(-c2cnco2)c1 ZINC000037779574 171350416 /nfs/dbraw/zinc/35/04/16/171350416.db2.gz YRLZRVCVDZVNHR-JTQLQIEISA-N 0 0 216.284 3.552 20 0 BHADRN CC[C@@H](C)CNc1cccc(-c2cnco2)c1 ZINC000037779646 363897930 /nfs/dbraw/zinc/89/79/30/363897930.db2.gz RFOHIKRGKVLCOR-LLVKDONJSA-N 0 0 230.311 3.800 20 0 BHADRN CC[C@H](C)CNc1cccc(-c2cnco2)c1 ZINC000037779647 171289454 /nfs/dbraw/zinc/28/94/54/171289454.db2.gz RFOHIKRGKVLCOR-NSHDSACASA-N 0 0 230.311 3.800 20 0 BHADRN CC(C)COc1ccccc1N[C@@H](C)C1CC1 ZINC000037780008 187424170 /nfs/dbraw/zinc/42/41/70/187424170.db2.gz JAOAMJNRVFPTEW-LBPRGKRZSA-N 0 0 233.355 3.932 20 0 BHADRN CC(C)COc1ccccc1N[C@H](C)C1CC1 ZINC000037780009 363897576 /nfs/dbraw/zinc/89/75/76/363897576.db2.gz JAOAMJNRVFPTEW-GFCCVEGCSA-N 0 0 233.355 3.932 20 0 BHADRN CC(C)COc1ccccc1NC(C)C ZINC000037780020 384531995 /nfs/dbraw/zinc/53/19/95/384531995.db2.gz TYFIAEFWCGKPOF-UHFFFAOYSA-N 0 0 207.317 3.542 20 0 BHADRN CC(C)COc1ccccc1NCc1ccco1 ZINC000037780051 363897948 /nfs/dbraw/zinc/89/79/48/363897948.db2.gz ARBAEICPUPJUAH-UHFFFAOYSA-N 0 0 245.322 3.927 20 0 BHADRN CC(C)COc1ccccc1NCC1CC1 ZINC000037780099 388648409 /nfs/dbraw/zinc/64/84/09/388648409.db2.gz TYMZBVCBWCHPOB-UHFFFAOYSA-N 0 0 219.328 3.543 20 0 BHADRN CCOc1cccc(N[C@@H](C)c2ccco2)c1 ZINC000037780132 343354421 /nfs/dbraw/zinc/35/44/21/343354421.db2.gz YISYBPKLAUEDOU-NSHDSACASA-N 0 0 231.295 3.851 20 0 BHADRN CCOc1cccc(N[C@H](C)c2ccco2)c1 ZINC000037780133 343354794 /nfs/dbraw/zinc/35/47/94/343354794.db2.gz YISYBPKLAUEDOU-LLVKDONJSA-N 0 0 231.295 3.851 20 0 BHADRN CCOc1cccc(NC(C2CC2)C2CC2)c1 ZINC000037780134 358085799 /nfs/dbraw/zinc/08/57/99/358085799.db2.gz USEZJWFBQZSVSI-UHFFFAOYSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1cccc(N[C@@H](C)c2ccncc2)c1 ZINC000037780236 343354735 /nfs/dbraw/zinc/35/47/35/343354735.db2.gz NXZSEDCBGGSATO-LBPRGKRZSA-N 0 0 242.322 3.653 20 0 BHADRN CCOc1cccc(N[C@H](C)c2ccncc2)c1 ZINC000037780237 343354625 /nfs/dbraw/zinc/35/46/25/343354625.db2.gz NXZSEDCBGGSATO-GFCCVEGCSA-N 0 0 242.322 3.653 20 0 BHADRN CCOc1cccc(N[C@@H](C)c2cccnc2)c1 ZINC000037780238 343354671 /nfs/dbraw/zinc/35/46/71/343354671.db2.gz RLDPMALBZPMUAV-LBPRGKRZSA-N 0 0 242.322 3.653 20 0 BHADRN CCOc1cccc(N[C@H](C)c2cccnc2)c1 ZINC000037780239 343354603 /nfs/dbraw/zinc/35/46/03/343354603.db2.gz RLDPMALBZPMUAV-GFCCVEGCSA-N 0 0 242.322 3.653 20 0 BHADRN CCOc1cccc(NCc2cccs2)c1 ZINC000037780279 363898091 /nfs/dbraw/zinc/89/80/91/363898091.db2.gz KWSOBKBCBLZOFM-UHFFFAOYSA-N 0 0 233.336 3.759 20 0 BHADRN CCOc1cccc(NCc2ccc(C)o2)c1 ZINC000037780284 343354636 /nfs/dbraw/zinc/35/46/36/343354636.db2.gz OUTILFQGKDJQIR-UHFFFAOYSA-N 0 0 231.295 3.599 20 0 BHADRN CCOc1cccc(NCc2ccsc2)c1 ZINC000037780288 358476916 /nfs/dbraw/zinc/47/69/16/358476916.db2.gz NOPSNUSACBFGPK-UHFFFAOYSA-N 0 0 233.336 3.759 20 0 BHADRN CCOc1cccc(N[C@@H](C)c2ccccn2)c1 ZINC000037780306 170582917 /nfs/dbraw/zinc/58/29/17/170582917.db2.gz NECXZOHDLLWNAE-LBPRGKRZSA-N 0 0 242.322 3.653 20 0 BHADRN CCOc1cccc(N[C@H](C)c2ccccn2)c1 ZINC000037780307 343354720 /nfs/dbraw/zinc/35/47/20/343354720.db2.gz NECXZOHDLLWNAE-GFCCVEGCSA-N 0 0 242.322 3.653 20 0 BHADRN CCOc1cccc(NCc2cccc(F)c2)c1 ZINC000037780319 363897375 /nfs/dbraw/zinc/89/73/75/363897375.db2.gz SOANNXOXXFENML-UHFFFAOYSA-N 0 0 245.297 3.837 20 0 BHADRN CCOc1cccc(NC2CCCCC2)c1 ZINC000037780326 388648603 /nfs/dbraw/zinc/64/86/03/388648603.db2.gz FVFAQSRYPIUMNC-UHFFFAOYSA-N 0 0 219.328 3.830 20 0 BHADRN CCOc1cccc(NCc2ccc(F)cc2)c1 ZINC000037780349 363897567 /nfs/dbraw/zinc/89/75/67/363897567.db2.gz DXCOJAFYYVUOGE-UHFFFAOYSA-N 0 0 245.297 3.837 20 0 BHADRN CCOc1cccc(N[C@@H](C)C2(C)CC2)c1 ZINC000037780499 388648341 /nfs/dbraw/zinc/64/83/41/388648341.db2.gz ULZLDVSJOGCEPD-NSHDSACASA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cccc(N[C@H](C)C2(C)CC2)c1 ZINC000037780500 388647932 /nfs/dbraw/zinc/64/79/32/388647932.db2.gz ULZLDVSJOGCEPD-LLVKDONJSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cccc(NCc2ccccc2)c1 ZINC000037780532 364753199 /nfs/dbraw/zinc/75/31/99/364753199.db2.gz JYHTXCNNJIXEDN-UHFFFAOYSA-N 0 0 227.307 3.697 20 0 BHADRN CCOc1cccc(NC[C@H]2CC=CCC2)c1 ZINC000037780568 170581881 /nfs/dbraw/zinc/58/18/81/170581881.db2.gz OWLSWNDKVNDTIM-ZDUSSCGKSA-N 0 0 231.339 3.854 20 0 BHADRN CCOc1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000037780569 170581314 /nfs/dbraw/zinc/58/13/14/170581314.db2.gz OWLSWNDKVNDTIM-CYBMUJFWSA-N 0 0 231.339 3.854 20 0 BHADRN Cc1cc(OC(C)C)ccc1N[C@@H](C)C1CC1 ZINC000037780582 178207998 /nfs/dbraw/zinc/20/79/98/178207998.db2.gz HXFIKWJGZPHZKW-LBPRGKRZSA-N 0 0 233.355 3.993 20 0 BHADRN Cc1cc(OC(C)C)ccc1N[C@H](C)C1CC1 ZINC000037780583 178208266 /nfs/dbraw/zinc/20/82/66/178208266.db2.gz HXFIKWJGZPHZKW-GFCCVEGCSA-N 0 0 233.355 3.993 20 0 BHADRN Cc1cc(OC(C)C)ccc1NC(C)C ZINC000037780596 712756473 /nfs/dbraw/zinc/75/64/73/712756473.db2.gz JNSUWIBIWXXIBY-UHFFFAOYSA-N 0 0 207.317 3.603 20 0 BHADRN CCCCNc1ccc(OC(C)C)cc1C ZINC000037780601 712756593 /nfs/dbraw/zinc/75/65/93/712756593.db2.gz HXVNQLRJLROSRB-UHFFFAOYSA-N 0 0 221.344 3.994 20 0 BHADRN Cc1cc(OC(C)C)ccc1NCc1ccco1 ZINC000037780635 178208112 /nfs/dbraw/zinc/20/81/12/178208112.db2.gz LZXYRQLPISFPCE-UHFFFAOYSA-N 0 0 245.322 3.987 20 0 BHADRN Cc1cc(OC(C)C)ccc1NCC1CC1 ZINC000037780688 712756686 /nfs/dbraw/zinc/75/66/86/712756686.db2.gz RLQPZUPOPKDIFF-UHFFFAOYSA-N 0 0 219.328 3.604 20 0 BHADRN CCCOc1ccc(NC(C)C)cc1Cl ZINC000037780730 712756512 /nfs/dbraw/zinc/75/65/12/712756512.db2.gz XEEUYUVSHSNGDO-UHFFFAOYSA-N 0 0 227.735 3.949 20 0 BHADRN CCCOc1ccc(NCC2CC2)cc1Cl ZINC000037780799 712756490 /nfs/dbraw/zinc/75/64/90/712756490.db2.gz CLOROAIBGZNSPL-UHFFFAOYSA-N 0 0 239.746 3.951 20 0 BHADRN C[C@H](Nc1ccc(N2CCCC2)c(F)c1)C1CC1 ZINC000037781004 712756613 /nfs/dbraw/zinc/75/66/13/712756613.db2.gz GRDNZGFAPCSNIN-NSHDSACASA-N 0 0 248.345 3.636 20 0 BHADRN C[C@@H](Nc1ccc(N2CCCC2)c(F)c1)C1CC1 ZINC000037781005 712756556 /nfs/dbraw/zinc/75/65/56/712756556.db2.gz GRDNZGFAPCSNIN-LLVKDONJSA-N 0 0 248.345 3.636 20 0 BHADRN CCCCNc1ccc(N2CCCC2)c(F)c1 ZINC000037781015 168878823 /nfs/dbraw/zinc/87/88/23/168878823.db2.gz HEMWMFJQZHQNQZ-UHFFFAOYSA-N 0 0 236.334 3.638 20 0 BHADRN Fc1cc(NC2CCCC2)ccc1N1CCCC1 ZINC000037781037 712756653 /nfs/dbraw/zinc/75/66/53/712756653.db2.gz 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ZINC000038008258 188290272 /nfs/dbraw/zinc/29/02/72/188290272.db2.gz UPRZYPWCWZUYRF-SNVBAGLBSA-N 0 0 218.300 3.674 20 0 BHADRN CC(C)C[C@H](C)Nc1nc2ccccc2o1 ZINC000038008259 350296811 /nfs/dbraw/zinc/29/68/11/350296811.db2.gz UPRZYPWCWZUYRF-JTQLQIEISA-N 0 0 218.300 3.674 20 0 BHADRN CNc1ccc(OCC2CCCCC2)cc1 ZINC000038057030 712803923 /nfs/dbraw/zinc/80/39/23/712803923.db2.gz WIIFYPXTGXMPCN-UHFFFAOYSA-N 0 0 219.328 3.687 20 0 BHADRN CNc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000038057357 358481674 /nfs/dbraw/zinc/48/16/74/358481674.db2.gz IUTYMMACWIMYPB-UHFFFAOYSA-N 0 0 234.686 3.569 20 0 BHADRN CC(C)(C)CCSc1ccc(O)cc1 ZINC000038078723 323382740 /nfs/dbraw/zinc/38/27/40/323382740.db2.gz OXGGXWHMUKZULI-UHFFFAOYSA-N 0 0 210.342 3.921 20 0 BHADRN Oc1ccc(SCc2cccc(F)c2)cc1 ZINC000038078801 324588328 /nfs/dbraw/zinc/58/83/28/324588328.db2.gz VCPKWKIFXHMYDU-UHFFFAOYSA-N 0 0 234.295 3.824 20 0 BHADRN COc1ccccc1CSc1ccc(O)cc1 ZINC000038078808 187392272 /nfs/dbraw/zinc/39/22/72/187392272.db2.gz 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/nfs/dbraw/zinc/40/54/68/343405468.db2.gz FCUBSXPHEPYVGE-UHFFFAOYSA-N 0 0 232.352 3.708 20 0 BHADRN Fc1cc(NCc2cscn2)ccc1Cl ZINC000040504643 384276622 /nfs/dbraw/zinc/27/66/22/384276622.db2.gz OTLYLDMJEAXDNA-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN CC(C)Oc1ccccc1NCc1cscn1 ZINC000040504948 188292345 /nfs/dbraw/zinc/29/23/45/188292345.db2.gz NOJGGUFGUQNGGU-UHFFFAOYSA-N 0 0 248.351 3.542 20 0 BHADRN Cc1cc(C)c(NCc2cscn2)c(C)c1 ZINC000040505268 177866932 /nfs/dbraw/zinc/86/69/32/177866932.db2.gz XFDKSHPJYYCERK-UHFFFAOYSA-N 0 0 232.352 3.680 20 0 BHADRN Cc1ccc([C@@H](C)NCc2cscn2)c(C)c1 ZINC000040505299 178845086 /nfs/dbraw/zinc/84/50/86/178845086.db2.gz YDQBYSRTFHYKKE-GFCCVEGCSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1ccc([C@H](C)NCc2cscn2)c(C)c1 ZINC000040505302 409821186 /nfs/dbraw/zinc/82/11/86/409821186.db2.gz YDQBYSRTFHYKKE-LBPRGKRZSA-N 0 0 246.379 3.611 20 0 BHADRN CCCCOCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000040506105 384578634 /nfs/dbraw/zinc/57/86/34/384578634.db2.gz UKQUORFLYXJFLI-UHFFFAOYSA-N 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CCCCCNC(=O)CCCc1ccc(C)cc1 ZINC000040644430 388458635 /nfs/dbraw/zinc/45/86/35/388458635.db2.gz DKYJMIOYNUIVSH-UHFFFAOYSA-N 0 0 247.382 3.624 20 0 BHADRN CCCCN(C)C(=O)CCCc1ccc(C)cc1 ZINC000040644431 388458198 /nfs/dbraw/zinc/45/81/98/388458198.db2.gz UDQRSVPZONYMSV-UHFFFAOYSA-N 0 0 247.382 3.576 20 0 BHADRN Cc1cccc(SCc2cccc(N)c2)c1 ZINC000040695889 359817291 /nfs/dbraw/zinc/81/72/91/359817291.db2.gz COSQUYIVEBPNKY-UHFFFAOYSA-N 0 0 229.348 3.870 20 0 BHADRN Cc1cccc(SC[C@H](O)c2ccccc2)c1 ZINC000040696445 636938006 /nfs/dbraw/zinc/93/80/06/636938006.db2.gz YDDTZOTWQMWMJH-HNNXBMFYSA-N 0 0 244.359 3.821 20 0 BHADRN Cc1cccc(SC[C@@H](O)c2ccccc2)c1 ZINC000040696447 636938265 /nfs/dbraw/zinc/93/82/65/636938265.db2.gz YDDTZOTWQMWMJH-OAHLLOKOSA-N 0 0 244.359 3.821 20 0 BHADRN Cc1cccc(S[C@@H]2CCCCC2=O)c1 ZINC000040696570 179177015 /nfs/dbraw/zinc/17/70/15/179177015.db2.gz QRCVHGZVZNEHOX-CYBMUJFWSA-N 0 0 220.337 3.599 20 0 BHADRN Cc1cccc(S[C@H]2CCCCC2=O)c1 ZINC000040696572 179176849 /nfs/dbraw/zinc/17/68/49/179176849.db2.gz QRCVHGZVZNEHOX-ZDUSSCGKSA-N 0 0 220.337 3.599 20 0 BHADRN Fc1cccc(NC2CCCCCCC2)n1 ZINC000040711908 711799568 /nfs/dbraw/zinc/79/95/68/711799568.db2.gz DHZBOKIUQWTWLH-UHFFFAOYSA-N 0 0 222.307 3.746 20 0 BHADRN Fc1cccc(NCCC2CCCCC2)n1 ZINC000040712252 636940409 /nfs/dbraw/zinc/94/04/09/636940409.db2.gz JMYQZGPVBHWLOK-UHFFFAOYSA-N 0 0 222.307 3.603 20 0 BHADRN Fc1ccc(NCC2CC2)cc1C(F)(F)F ZINC000040712762 384590256 /nfs/dbraw/zinc/59/02/56/384590256.db2.gz SIMZFESEPRSVSU-UHFFFAOYSA-N 0 0 233.208 3.666 20 0 BHADRN Cc1cc(N[C@@H](C)c2cccc(Cl)c2)ncn1 ZINC000040727392 178179311 /nfs/dbraw/zinc/17/93/11/178179311.db2.gz ZWXPJKPELWARAZ-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1cc(N[C@H](C)c2cccc(Cl)c2)ncn1 ZINC000040727394 178187935 /nfs/dbraw/zinc/18/79/35/178187935.db2.gz ZWXPJKPELWARAZ-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN CCCCCC[C@@H](C)Nc1ccc(CCO)cc1 ZINC000040737576 711483188 /nfs/dbraw/zinc/48/31/88/711483188.db2.gz 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/nfs/dbraw/zinc/59/35/88/384593588.db2.gz VNTCEHYPEMWXBW-RYUDHWBXSA-N 0 0 233.359 3.591 20 0 BHADRN CC(C)c1cc(N[C@@H]2CCCC[C@H]2C)ncn1 ZINC000040766162 384592130 /nfs/dbraw/zinc/59/21/30/384592130.db2.gz VNTCEHYPEMWXBW-VXGBXAGGSA-N 0 0 233.359 3.591 20 0 BHADRN CC(C)c1cc(N[C@@H]2CCCC[C@@H]2C)ncn1 ZINC000040766164 384591999 /nfs/dbraw/zinc/59/19/99/384591999.db2.gz VNTCEHYPEMWXBW-NWDGAFQWSA-N 0 0 233.359 3.591 20 0 BHADRN Cc1ccc(CNc2cc(C(C)C)ncn2)cc1 ZINC000040766184 358498683 /nfs/dbraw/zinc/49/86/83/358498683.db2.gz NWZXGCYEONTCHO-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN CC(C)c1cc(NC2CCC(C)CC2)ncn1 ZINC000040766192 168165730 /nfs/dbraw/zinc/16/57/30/168165730.db2.gz OUWXXOJOTRIGDY-UHFFFAOYSA-N 0 0 233.359 3.591 20 0 BHADRN CC(C)c1cc(NC2CCCCCC2)ncn1 ZINC000040766218 384593760 /nfs/dbraw/zinc/59/37/60/384593760.db2.gz CJNNJNWHZMDWSM-UHFFFAOYSA-N 0 0 233.359 3.735 20 0 BHADRN CC(C)c1cc(N[C@H]2CCC[C@@H](C)C2)ncn1 ZINC000040766230 167577495 /nfs/dbraw/zinc/57/74/95/167577495.db2.gz 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20 0 BHADRN CC(C)c1cc(NCCC2CCCC2)ncn1 ZINC000040766377 322833829 /nfs/dbraw/zinc/83/38/29/322833829.db2.gz VGEXSLIHROSZIH-UHFFFAOYSA-N 0 0 233.359 3.592 20 0 BHADRN CC(C)c1cc(NCCC2=CCCCC2)ncn1 ZINC000040766506 322833828 /nfs/dbraw/zinc/83/38/28/322833828.db2.gz ITUMSQYNWOBVHU-UHFFFAOYSA-N 0 0 245.370 3.902 20 0 BHADRN Cc1cccc(COC(=O)c2cccc(C)c2)c1 ZINC000040828449 188293064 /nfs/dbraw/zinc/29/30/64/188293064.db2.gz VGHPXBXYVQDCBF-UHFFFAOYSA-N 0 0 240.302 3.660 20 0 BHADRN c1c2ccccc2[nH]c1CNc1ccccc1 ZINC000040829296 384164770 /nfs/dbraw/zinc/16/47/70/384164770.db2.gz SSQTZURIXXHEKY-UHFFFAOYSA-N 0 0 222.291 3.780 20 0 in-vivo BHADRN CN(Cc1cc2ccccc2[nH]1)c1ccccc1 ZINC000040864513 538973744 /nfs/dbraw/zinc/97/37/44/538973744.db2.gz KHSLYBCUWUKVBX-UHFFFAOYSA-N 0 0 236.318 3.804 20 0 in-vivo BHADRN CC(C)=CC(=O)Nc1ccccc1C(C)C ZINC000040868722 188149666 /nfs/dbraw/zinc/14/96/66/188149666.db2.gz MZQPUNJEHVKYFN-UHFFFAOYSA-N 0 0 217.312 3.715 20 0 BHADRN CC(C)=CC(=O)Nc1ccc(C(C)C)cc1 ZINC000040868724 358247266 /nfs/dbraw/zinc/24/72/66/358247266.db2.gz CONQITBODCCFRH-UHFFFAOYSA-N 0 0 217.312 3.715 20 0 BHADRN CCc1cccc(CC)c1NC(=O)C=C(C)C ZINC000040868730 384167721 /nfs/dbraw/zinc/16/77/21/384167721.db2.gz UPNWXNWVNFUYDP-UHFFFAOYSA-N 0 0 231.339 3.716 20 0 BHADRN CC(C)=CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000040868783 188118661 /nfs/dbraw/zinc/11/86/61/188118661.db2.gz SGLZBOBAAUOPGH-UHFFFAOYSA-N 0 0 243.228 3.610 20 0 BHADRN CC(C)=CC(=O)Nc1ccc(Cl)cc1C ZINC000040868790 187264585 /nfs/dbraw/zinc/26/45/85/187264585.db2.gz MHLNNDVBIOXEFY-UHFFFAOYSA-N 0 0 223.703 3.553 20 0 BHADRN CC(C)=CC(=O)Oc1ccc(Cl)c(C)c1 ZINC000040882737 187774847 /nfs/dbraw/zinc/77/48/47/187774847.db2.gz FJBTXLURZGZBBQ-UHFFFAOYSA-N 0 0 224.687 3.520 20 0 BHADRN CCCc1ccc(OC(=O)C(C)(C)C)cc1 ZINC000040883947 641539549 /nfs/dbraw/zinc/53/95/49/641539549.db2.gz AXYHFRSZXKBGKR-UHFFFAOYSA-N 0 0 220.312 3.591 20 0 BHADRN Cc1cc(OC(=O)C(C)(C)C)ccc1Cl ZINC000040883955 178205452 /nfs/dbraw/zinc/20/54/52/178205452.db2.gz IEHGVSFRHBRDNN-UHFFFAOYSA-N 0 0 226.703 3.600 20 0 BHADRN CCCC[C@@H](CC)C(=O)Nc1ccc(C)cc1O ZINC000040887333 384599899 /nfs/dbraw/zinc/59/98/99/384599899.db2.gz IQMNIGQCVYRLMZ-GFCCVEGCSA-N 0 0 249.354 3.856 20 0 BHADRN CCCC[C@H](CC)C(=O)Nc1ccc(C)cc1O ZINC000040887334 384599734 /nfs/dbraw/zinc/59/97/34/384599734.db2.gz IQMNIGQCVYRLMZ-LBPRGKRZSA-N 0 0 249.354 3.856 20 0 BHADRN CCCCC(=O)Oc1ccc(Cl)c(C)c1 ZINC000040889750 641539328 /nfs/dbraw/zinc/53/93/28/641539328.db2.gz ZKBNAFMTFAZPGS-UHFFFAOYSA-N 0 0 226.703 3.744 20 0 BHADRN CCCCCOc1ccc(NC(=O)C2CC2)cc1 ZINC000040942620 168730797 /nfs/dbraw/zinc/73/07/97/168730797.db2.gz LLOSIVRVXQAURR-UHFFFAOYSA-N 0 0 247.338 3.604 20 0 BHADRN CCCCOc1ccccc1NC(=O)CC(C)C ZINC000040946627 350779277 /nfs/dbraw/zinc/77/92/77/350779277.db2.gz SOFNPCIEZCPIPU-UHFFFAOYSA-N 0 0 249.354 3.850 20 0 BHADRN CCCSc1nnc(-c2ccccc2)s1 ZINC000040947875 169342242 /nfs/dbraw/zinc/34/22/42/169342242.db2.gz JLFRNGFRPRLIJW-UHFFFAOYSA-N 0 0 236.365 3.707 20 0 BHADRN CCCCC1CCC(C(=O)NC(C)(C)C)CC1 ZINC000040949073 384169557 /nfs/dbraw/zinc/16/95/57/384169557.db2.gz KHSWSXAVGMECMF-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC1CCC(C(=O)NCC(C)C)CC1 ZINC000040949074 262920915 /nfs/dbraw/zinc/92/09/15/262920915.db2.gz RHUSOLOKKBOTNN-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC1CCC(C(=O)N[C@@H](C)CC)CC1 ZINC000040949151 168632408 /nfs/dbraw/zinc/63/24/08/168632408.db2.gz GQCDLZXLLYVZHA-HSBZDZAISA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC1CCC(C(=O)N[C@H](C)CC)CC1 ZINC000040949152 363553476 /nfs/dbraw/zinc/55/34/76/363553476.db2.gz GQCDLZXLLYVZHA-IYXRBSQSSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCNC(=O)C1CCC(CCCC)CC1 ZINC000040949153 388429138 /nfs/dbraw/zinc/42/91/38/388429138.db2.gz CNYZLFVVKBLBDJ-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC1CCC(C(=O)NC(C)C)CC1 ZINC000040949154 363553695 /nfs/dbraw/zinc/55/36/95/363553695.db2.gz YBSWHMVFILEZSX-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)=CC(=O)Nc1nc2c(cccc2C)s1 ZINC000040967056 188293017 /nfs/dbraw/zinc/29/30/17/188293017.db2.gz HIQINFHSPAOFIK-UHFFFAOYSA-N 0 0 246.335 3.509 20 0 BHADRN CCc1ccc(COC(=O)c2ccccc2)cc1 ZINC000040975792 641538247 /nfs/dbraw/zinc/53/82/47/641538247.db2.gz FUFNEZBKELYSFQ-UHFFFAOYSA-N 0 0 240.302 3.606 20 0 BHADRN CCCCCCNC(=O)CCc1ccc(C)cc1 ZINC000040994510 636949634 /nfs/dbraw/zinc/94/96/34/636949634.db2.gz ZWVVZFOCSLMFNO-UHFFFAOYSA-N 0 0 247.382 3.624 20 0 BHADRN Cc1ccc(CCC(=O)Oc2ccccc2)cc1 ZINC000040994715 641538681 /nfs/dbraw/zinc/53/86/81/641538681.db2.gz WMTSVBNFGUSMIM-UHFFFAOYSA-N 0 0 240.302 3.533 20 0 BHADRN CCCCCCNC(=O)c1ccc(CC)cc1 ZINC000041008121 641539543 /nfs/dbraw/zinc/53/95/43/641539543.db2.gz WDRVMBQLNOUKQW-UHFFFAOYSA-N 0 0 233.355 3.559 20 0 BHADRN CC[C@H](NCc1csc(C)n1)c1ccccc1 ZINC000041010310 343412462 /nfs/dbraw/zinc/41/24/62/343412462.db2.gz KGJGKXOQFVJDRN-AWEZNQCLSA-N 0 0 246.379 3.692 20 0 BHADRN CC[C@@H](NCc1csc(C)n1)c1ccccc1 ZINC000041010311 343412457 /nfs/dbraw/zinc/41/24/57/343412457.db2.gz KGJGKXOQFVJDRN-CQSZACIVSA-N 0 0 246.379 3.692 20 0 BHADRN Cc1nc(CN[C@H](C)c2cccc(C)c2)cs1 ZINC000041010593 179182009 /nfs/dbraw/zinc/18/20/09/179182009.db2.gz CGCUNQFFLWFCRL-LLVKDONJSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1nc(CN[C@@H](C)c2cccc(C)c2)cs1 ZINC000041010594 179196632 /nfs/dbraw/zinc/19/66/32/179196632.db2.gz CGCUNQFFLWFCRL-NSHDSACASA-N 0 0 246.379 3.611 20 0 BHADRN Cc1ccc([C@@H](C)NCc2nccs2)c(C)c1 ZINC000041011943 384172774 /nfs/dbraw/zinc/17/27/74/384172774.db2.gz ADJVIMAGHWDXHM-GFCCVEGCSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1ccc([C@H](C)NCc2nccs2)c(C)c1 ZINC000041011945 384173244 /nfs/dbraw/zinc/17/32/44/384173244.db2.gz ADJVIMAGHWDXHM-LBPRGKRZSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1ccc(C)c([C@@H](C)NCc2nccs2)c1 ZINC000041011956 387588544 /nfs/dbraw/zinc/58/85/44/387588544.db2.gz FSIYKIQVWVGKCH-GFCCVEGCSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1ccc(C)c([C@H](C)NCc2nccs2)c1 ZINC000041011958 358505474 /nfs/dbraw/zinc/50/54/74/358505474.db2.gz FSIYKIQVWVGKCH-LBPRGKRZSA-N 0 0 246.379 3.611 20 0 BHADRN CC[C@H](NCc1nccs1)c1ccc(C)cc1 ZINC000041011982 343412294 /nfs/dbraw/zinc/41/22/94/343412294.db2.gz TVEISQLTNHDESA-ZDUSSCGKSA-N 0 0 246.379 3.692 20 0 BHADRN CC[C@@H](NCc1nccs1)c1ccc(C)cc1 ZINC000041011984 343412272 /nfs/dbraw/zinc/41/22/72/343412272.db2.gz TVEISQLTNHDESA-CYBMUJFWSA-N 0 0 246.379 3.692 20 0 BHADRN Cc1ccc([C@@H](C)NCc2nccs2)cc1C ZINC000041012096 384172981 /nfs/dbraw/zinc/17/29/81/384172981.db2.gz MPWWPPNLVFTDII-GFCCVEGCSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1ccc([C@H](C)NCc2nccs2)cc1C ZINC000041012098 384174233 /nfs/dbraw/zinc/17/42/33/384174233.db2.gz MPWWPPNLVFTDII-LBPRGKRZSA-N 0 0 246.379 3.611 20 0 BHADRN CCc1ccc([C@@H](C)NCc2nccs2)cc1 ZINC000041012110 384173141 /nfs/dbraw/zinc/17/31/41/384173141.db2.gz WRWBVXDZOTUSIA-LLVKDONJSA-N 0 0 246.379 3.556 20 0 BHADRN CCc1ccc([C@H](C)NCc2nccs2)cc1 ZINC000041012112 384174451 /nfs/dbraw/zinc/17/44/51/384174451.db2.gz WRWBVXDZOTUSIA-NSHDSACASA-N 0 0 246.379 3.556 20 0 BHADRN CCC[C@H](NCc1nccs1)c1ccccc1 ZINC000041012188 343412363 /nfs/dbraw/zinc/41/23/63/343412363.db2.gz GXFZJBWMZQPANE-ZDUSSCGKSA-N 0 0 246.379 3.774 20 0 BHADRN CCC[C@@H](NCc1nccs1)c1ccccc1 ZINC000041012190 384173601 /nfs/dbraw/zinc/17/36/01/384173601.db2.gz GXFZJBWMZQPANE-CYBMUJFWSA-N 0 0 246.379 3.774 20 0 BHADRN COc1ccccc1SCc1cccc(N)c1 ZINC000041030495 358241468 /nfs/dbraw/zinc/24/14/68/358241468.db2.gz WRHNJWQTCWUOKY-UHFFFAOYSA-N 0 0 245.347 3.570 20 0 BHADRN COc1ccccc1SCCCCC(C)=O ZINC000041031004 175343272 /nfs/dbraw/zinc/34/32/72/175343272.db2.gz HPHRHCUFYXCQMR-UHFFFAOYSA-N 0 0 238.352 3.547 20 0 BHADRN Cc1ccc2[nH]c(-c3ccsc3)nc2c1 ZINC000041043062 387796416 /nfs/dbraw/zinc/79/64/16/387796416.db2.gz LEYPLRZATUKHOO-UHFFFAOYSA-N 0 0 214.293 3.600 20 0 BHADRN Fc1ccc(NCCC2=CCCCC2)nc1 ZINC000041045449 384592356 /nfs/dbraw/zinc/59/23/56/384592356.db2.gz UYOBWDPLUMZORQ-UHFFFAOYSA-N 0 0 220.291 3.523 20 0 BHADRN CC(C)(C)CNc1ccc(OC(F)F)cc1 ZINC000041051148 636957034 /nfs/dbraw/zinc/95/70/34/636957034.db2.gz RBBPEGCPAWSAMZ-UHFFFAOYSA-N 0 0 229.270 3.746 20 0 BHADRN CC(C)(C)CNc1ccccc1OC(F)F ZINC000041051149 384592709 /nfs/dbraw/zinc/59/27/09/384592709.db2.gz XQNYDAOAQDVOFR-UHFFFAOYSA-N 0 0 229.270 3.746 20 0 BHADRN Cc1nc2cc(NCC(C)(C)C)ccc2o1 ZINC000041051173 180083588 /nfs/dbraw/zinc/08/35/88/180083588.db2.gz QKVWMIJIGZEEPR-UHFFFAOYSA-N 0 0 218.300 3.594 20 0 BHADRN CC(C)Oc1ccc(NCC(C)(C)C)cc1 ZINC000041051212 636959460 /nfs/dbraw/zinc/95/94/60/636959460.db2.gz QVSYMATYLSIJSW-UHFFFAOYSA-N 0 0 221.344 3.932 20 0 BHADRN Cc1cc(N(C)C)ccc1NCC(C)(C)C ZINC000041051257 636959433 /nfs/dbraw/zinc/95/94/33/636959433.db2.gz SDTRHTPOMBALEA-UHFFFAOYSA-N 0 0 220.360 3.519 20 0 BHADRN CSc1ccccc1NCC(C)(C)C ZINC000041051270 175583394 /nfs/dbraw/zinc/58/33/94/175583394.db2.gz ADJDOXKMLSUBPW-UHFFFAOYSA-N 0 0 209.358 3.867 20 0 BHADRN CC(C)(C)CNc1cc2c(cc1Cl)OCO2 ZINC000041051273 636959998 /nfs/dbraw/zinc/95/99/98/636959998.db2.gz RQEREAAOCLJFPI-UHFFFAOYSA-N 0 0 241.718 3.527 20 0 BHADRN CC(C)(C)CNc1cnc2ccccc2c1 ZINC000041051280 384593940 /nfs/dbraw/zinc/59/39/40/384593940.db2.gz RWBJIZIOYLBDLN-UHFFFAOYSA-N 0 0 214.312 3.693 20 0 BHADRN CC(C)(C)CNc1cccc(OC(F)F)c1 ZINC000041051294 322833823 /nfs/dbraw/zinc/83/38/23/322833823.db2.gz YRJWJRSGTBYEEB-UHFFFAOYSA-N 0 0 229.270 3.746 20 0 BHADRN CC(C)Oc1ccccc1NCC(C)(C)C ZINC000041051354 350780474 /nfs/dbraw/zinc/78/04/74/350780474.db2.gz QIADGQLXVDUGRG-UHFFFAOYSA-N 0 0 221.344 3.932 20 0 BHADRN Cc1ccc2[nH]c(-c3ccc(F)cc3F)nc2c1 ZINC000041066103 358242229 /nfs/dbraw/zinc/24/22/29/358242229.db2.gz KBBPNGBWUVUWIJ-UHFFFAOYSA-N 0 0 244.244 3.817 20 0 BHADRN Cc1ccc2[nH]c(-c3cc(F)cc(F)c3)nc2c1 ZINC000041066123 384606757 /nfs/dbraw/zinc/60/67/57/384606757.db2.gz SCKZHTZHQUXONO-UHFFFAOYSA-N 0 0 244.244 3.817 20 0 BHADRN Cc1cccc(SCC(=O)c2ccccc2)c1 ZINC000041066894 179177114 /nfs/dbraw/zinc/17/71/14/179177114.db2.gz IHMCAYBOVFKTAU-UHFFFAOYSA-N 0 0 242.343 3.970 20 0 BHADRN CC(C)(CNc1ccc(F)cn1)c1ccccc1 ZINC000041075044 384607292 /nfs/dbraw/zinc/60/72/92/384607292.db2.gz DIYZZJXCARSZRF-UHFFFAOYSA-N 0 0 244.313 3.610 20 0 BHADRN CC(C)c1ccc(CSc2ncccn2)cc1 ZINC000041103706 323112035 /nfs/dbraw/zinc/11/20/35/323112035.db2.gz FUZHOOLDBTZZTM-UHFFFAOYSA-N 0 0 244.363 3.892 20 0 BHADRN CC(C)C(=O)Nc1ccc(NCC(C)(C)C)cc1 ZINC000041120344 384605879 /nfs/dbraw/zinc/60/58/79/384605879.db2.gz DMKGBDYIQADMDT-UHFFFAOYSA-N 0 0 248.370 3.739 20 0 BHADRN CC(C)(C)CNc1ccccc1N1CCCC1 ZINC000041120350 322834750 /nfs/dbraw/zinc/83/47/50/322834750.db2.gz PJTGWZRKIDNNFX-UHFFFAOYSA-N 0 0 232.371 3.745 20 0 BHADRN CC(C)(C)CNc1ccc(N2CCCCC2)nc1 ZINC000041120408 322834807 /nfs/dbraw/zinc/83/48/07/322834807.db2.gz FTHNXIYTWFXVAJ-UHFFFAOYSA-N 0 0 247.386 3.530 20 0 BHADRN CCOc1ccc(NCC(C)(C)C)cc1OC ZINC000041120500 641543158 /nfs/dbraw/zinc/54/31/58/641543158.db2.gz XCJBEEGHHPTJPY-UHFFFAOYSA-N 0 0 237.343 3.552 20 0 BHADRN CC(C)C(=O)Nc1cccc(NCC(C)(C)C)c1 ZINC000041120555 384180601 /nfs/dbraw/zinc/18/06/01/384180601.db2.gz QHDAALDMSLYFTB-UHFFFAOYSA-N 0 0 248.370 3.739 20 0 BHADRN CCOc1cc(NCC(C)(C)C)ccc1OC ZINC000041120586 641542613 /nfs/dbraw/zinc/54/26/13/641542613.db2.gz WAGRITPAUWETHT-UHFFFAOYSA-N 0 0 237.343 3.552 20 0 BHADRN CC(C)(C)CNc1ccc(N2CCCC2)cc1 ZINC000041120613 641542915 /nfs/dbraw/zinc/54/29/15/641542915.db2.gz LYGNYBIPEUWOGR-UHFFFAOYSA-N 0 0 232.371 3.745 20 0 BHADRN Cc1cc(-c2nnco2)ccc1NCC(C)(C)C ZINC000041120660 358301201 /nfs/dbraw/zinc/30/12/01/358301201.db2.gz DTHNSTUNROFYFH-UHFFFAOYSA-N 0 0 245.326 3.503 20 0 BHADRN CC(C)(C)CNc1cccc(-c2cc[nH]n2)c1 ZINC000041120746 384607338 /nfs/dbraw/zinc/60/73/38/384607338.db2.gz KZDSPMQLJRRNPB-UHFFFAOYSA-N 0 0 229.327 3.535 20 0 BHADRN CC(C)(C)CNc1ccc(-c2cnco2)cc1 ZINC000041120856 343415541 /nfs/dbraw/zinc/41/55/41/343415541.db2.gz BMTIILQVRCYPSJ-UHFFFAOYSA-N 0 0 230.311 3.800 20 0 BHADRN CC(C)(C)CNc1ccc(OC(F)F)c(F)c1 ZINC000041120868 641540403 /nfs/dbraw/zinc/54/04/03/641540403.db2.gz LVJUMDQJBPMFBC-UHFFFAOYSA-N 0 0 247.260 3.885 20 0 BHADRN CC(C)(C)CNc1cccc(-c2cnco2)c1 ZINC000041120886 358506664 /nfs/dbraw/zinc/50/66/64/358506664.db2.gz DITMPFVGFOJLFL-UHFFFAOYSA-N 0 0 230.311 3.800 20 0 BHADRN CCc1nc2cc(NCC(C)(C)C)ccc2o1 ZINC000041120922 322906953 /nfs/dbraw/zinc/90/69/53/322906953.db2.gz BNYFHRVSQBAFLU-UHFFFAOYSA-N 0 0 232.327 3.848 20 0 BHADRN CCCCNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000041130479 388457839 /nfs/dbraw/zinc/45/78/39/388457839.db2.gz FMQPLKYMYNVDKZ-OAHLLOKOSA-N 0 0 247.382 3.733 20 0 BHADRN CCCCNC(=O)C[C@H](c1ccccc1)C(C)C ZINC000041130481 262920866 /nfs/dbraw/zinc/92/08/66/262920866.db2.gz FMQPLKYMYNVDKZ-HNNXBMFYSA-N 0 0 247.382 3.733 20 0 BHADRN CC(C)CNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000041130482 323112244 /nfs/dbraw/zinc/11/22/44/323112244.db2.gz WUNACFXNDKMAHH-OAHLLOKOSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)CNC(=O)C[C@H](c1ccccc1)C(C)C ZINC000041130484 323112178 /nfs/dbraw/zinc/11/21/78/323112178.db2.gz WUNACFXNDKMAHH-HNNXBMFYSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@@H](C)NC(=O)C[C@@H](c1ccccc1)C(C)C 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323206748 /nfs/dbraw/zinc/20/67/48/323206748.db2.gz BCTYJPISSBCYKK-MRVPVSSYSA-N 0 0 249.137 3.533 20 0 BHADRN C[C@H](O)CCCOc1cc(Cl)ccc1Cl ZINC000041302663 323206773 /nfs/dbraw/zinc/20/67/73/323206773.db2.gz MVKITIKYGWUDCO-QMMMGPOBSA-N 0 0 249.137 3.533 20 0 BHADRN C[C@@H](O)CCCOc1cc(Cl)ccc1Cl ZINC000041302666 323206838 /nfs/dbraw/zinc/20/68/38/323206838.db2.gz MVKITIKYGWUDCO-MRVPVSSYSA-N 0 0 249.137 3.533 20 0 BHADRN C[C@H](O)CCCOc1ccc(Cl)cc1Cl ZINC000041302670 323206846 /nfs/dbraw/zinc/20/68/46/323206846.db2.gz JPDSQJASAFFRPA-QMMMGPOBSA-N 0 0 249.137 3.533 20 0 BHADRN C[C@@H](O)CCCOc1ccc(Cl)cc1Cl ZINC000041302672 323206711 /nfs/dbraw/zinc/20/67/11/323206711.db2.gz JPDSQJASAFFRPA-MRVPVSSYSA-N 0 0 249.137 3.533 20 0 BHADRN C[C@H](O)CCCOc1cccc(Cl)c1Cl ZINC000041302676 323206799 /nfs/dbraw/zinc/20/67/99/323206799.db2.gz CBXUCTZYHNVICG-QMMMGPOBSA-N 0 0 249.137 3.533 20 0 BHADRN C[C@@H](O)CCCOc1cccc(Cl)c1Cl ZINC000041302678 323206877 /nfs/dbraw/zinc/20/68/77/323206877.db2.gz 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CC(C)(C)CCNC(=O)c1cccc(Cl)c1 ZINC000041313982 357011411 /nfs/dbraw/zinc/01/14/11/357011411.db2.gz CWSBWSGHSNLYAG-UHFFFAOYSA-N 0 0 239.746 3.506 20 0 BHADRN CC(C)(C)CCNC(=O)c1ccccc1Cl ZINC000041314024 368276586 /nfs/dbraw/zinc/27/65/86/368276586.db2.gz RDNJCFZDNZJJKZ-UHFFFAOYSA-N 0 0 239.746 3.506 20 0 BHADRN Cc1cc(C(=O)NCCC(C)(C)C)sc1C ZINC000041314112 368277652 /nfs/dbraw/zinc/27/76/52/368277652.db2.gz GNRDCLKQZLEATD-UHFFFAOYSA-N 0 0 239.384 3.531 20 0 BHADRN CC(C)(C)CCNC(=O)c1ccc(Cl)cc1 ZINC000041314205 357011338 /nfs/dbraw/zinc/01/13/38/357011338.db2.gz QLXIJWCQTNNCRN-UHFFFAOYSA-N 0 0 239.746 3.506 20 0 BHADRN CC(C)(C)CCNC(=O)CC1CCCCC1 ZINC000041314324 357011443 /nfs/dbraw/zinc/01/14/43/357011443.db2.gz IHUKQCTVGIDTND-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN C[C@@H](CC(=O)NCCC(C)(C)C)c1ccccc1 ZINC000041314377 357011319 /nfs/dbraw/zinc/01/13/19/357011319.db2.gz SZNALJYKJCSQOW-ZDUSSCGKSA-N 0 0 247.382 3.733 20 0 BHADRN C[C@H](CC(=O)NCCC(C)(C)C)c1ccccc1 ZINC000041314380 357012590 /nfs/dbraw/zinc/01/25/90/357012590.db2.gz SZNALJYKJCSQOW-CYBMUJFWSA-N 0 0 247.382 3.733 20 0 BHADRN CCCCNC(=O)CCC(C)(C)c1ccccc1 ZINC000041318039 388458007 /nfs/dbraw/zinc/45/80/07/388458007.db2.gz QYLNLEIIIOBARI-UHFFFAOYSA-N 0 0 247.382 3.661 20 0 BHADRN CC(C)CNC(=O)CCC(C)(C)c1ccccc1 ZINC000041318079 323206424 /nfs/dbraw/zinc/20/64/24/323206424.db2.gz SVSHOGNQMWCXAT-UHFFFAOYSA-N 0 0 247.382 3.517 20 0 BHADRN CC[C@@H](C)NC(=O)CCC(C)(C)c1ccccc1 ZINC000041318140 323206466 /nfs/dbraw/zinc/20/64/66/323206466.db2.gz YXNFMIYQDPKESE-CYBMUJFWSA-N 0 0 247.382 3.659 20 0 BHADRN CC[C@H](C)NC(=O)CCC(C)(C)c1ccccc1 ZINC000041318143 323206483 /nfs/dbraw/zinc/20/64/83/323206483.db2.gz YXNFMIYQDPKESE-ZDUSSCGKSA-N 0 0 247.382 3.659 20 0 BHADRN C[C@H](NC(=O)[C@@H](C)C1CCCC1)c1ccccc1 ZINC000041319516 538975374 /nfs/dbraw/zinc/97/53/74/538975374.db2.gz QTOKMKAFRIDQQL-STQMWFEESA-N 0 0 245.366 3.690 20 0 BHADRN C[C@@H](NC(=O)[C@@H](C)C1CCCC1)c1ccccc1 ZINC000041319518 538975707 /nfs/dbraw/zinc/97/57/07/538975707.db2.gz QTOKMKAFRIDQQL-QWHCGFSZSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1)C1CCCC1 ZINC000041319520 538975706 /nfs/dbraw/zinc/97/57/06/538975706.db2.gz QTOKMKAFRIDQQL-OLZOCXBDSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@@H](NC(=O)[C@H](C)C1CCCC1)c1ccccc1 ZINC000041319523 538975593 /nfs/dbraw/zinc/97/55/93/538975593.db2.gz QTOKMKAFRIDQQL-CHWSQXEVSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@@H](C)C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000041329663 368276998 /nfs/dbraw/zinc/27/69/98/368276998.db2.gz BBVPSAPTKLROKT-UKRRQHHQSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@H](C)C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000041329664 368277394 /nfs/dbraw/zinc/27/73/94/368277394.db2.gz BBVPSAPTKLROKT-DZGCQCFKSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@@H](C)C(=O)NC[C@H](c1ccccc1)C(C)C ZINC000041329666 357017402 /nfs/dbraw/zinc/01/74/02/357017402.db2.gz BBVPSAPTKLROKT-HIFRSBDPSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@H](C)C(=O)NC[C@H](c1ccccc1)C(C)C ZINC000041329667 357017159 /nfs/dbraw/zinc/01/71/59/357017159.db2.gz BBVPSAPTKLROKT-ZFWWWQNUSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)[C@@H](CNC(=O)C(C)(C)C)c1ccccc1 ZINC000041329829 357016770 /nfs/dbraw/zinc/01/67/70/357016770.db2.gz OOWOGFBJFZJNBK-CQSZACIVSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)[C@H](CNC(=O)C(C)(C)C)c1ccccc1 ZINC000041329831 357016401 /nfs/dbraw/zinc/01/64/01/357016401.db2.gz OOWOGFBJFZJNBK-AWEZNQCLSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000041330236 368277292 /nfs/dbraw/zinc/27/72/92/368277292.db2.gz ISXGZAZFEIRVSN-OAHLLOKOSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000041330239 368277371 /nfs/dbraw/zinc/27/73/71/368277371.db2.gz ISXGZAZFEIRVSN-HNNXBMFYSA-N 0 0 247.382 3.589 20 0 BHADRN CCCCC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000041330272 357016887 /nfs/dbraw/zinc/01/68/87/357016887.db2.gz BHELJLUOVQVIDJ-OAHLLOKOSA-N 0 0 247.382 3.733 20 0 BHADRN CCCCC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000041330275 357016940 /nfs/dbraw/zinc/01/69/40/357016940.db2.gz BHELJLUOVQVIDJ-HNNXBMFYSA-N 0 0 247.382 3.733 20 0 BHADRN CCN(CC)C(=O)CCC(C)(C)c1ccccc1 ZINC000041334138 323207438 /nfs/dbraw/zinc/20/74/38/323207438.db2.gz CWBQPBUWSRTSIQ-UHFFFAOYSA-N 0 0 247.382 3.613 20 0 BHADRN CC(C)(C)NC(=O)CCC(C)(C)c1ccccc1 ZINC000041334269 368277674 /nfs/dbraw/zinc/27/76/74/368277674.db2.gz XIPJELOMVQZYAA-UHFFFAOYSA-N 0 0 247.382 3.659 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)C1CCCC1 ZINC000041334541 538975416 /nfs/dbraw/zinc/97/54/16/538975416.db2.gz RTZZHCAJEWWQLS-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCCN1C(=O)[C@@H](C)C1CCCC1 ZINC000041334544 538975611 /nfs/dbraw/zinc/97/56/11/538975611.db2.gz RTZZHCAJEWWQLS-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@H](C)C1CCCC1 ZINC000041334546 538975397 /nfs/dbraw/zinc/97/53/97/538975397.db2.gz RTZZHCAJEWWQLS-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCCN1C(=O)[C@H](C)C1CCCC1 ZINC000041334549 538975492 /nfs/dbraw/zinc/97/54/92/538975492.db2.gz RTZZHCAJEWWQLS-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCN(CCC)C(=O)[C@@H](C)Cc1ccccc1 ZINC000041334696 323088609 /nfs/dbraw/zinc/08/86/09/323088609.db2.gz VASFZSMQNZWOTE-AWEZNQCLSA-N 0 0 247.382 3.514 20 0 BHADRN CCCN(CCC)C(=O)[C@H](C)Cc1ccccc1 ZINC000041334699 323088627 /nfs/dbraw/zinc/08/86/27/323088627.db2.gz VASFZSMQNZWOTE-CQSZACIVSA-N 0 0 247.382 3.514 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H](C)C1CCCC1 ZINC000041334833 538975716 /nfs/dbraw/zinc/97/57/16/538975716.db2.gz BRHROWZWOVUMTN-LBPRGKRZSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1ccccc1NC(=O)[C@H](C)C1CCCC1 ZINC000041334836 538975671 /nfs/dbraw/zinc/97/56/71/538975671.db2.gz BRHROWZWOVUMTN-GFCCVEGCSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](C)C2CCCC2)c1 ZINC000041334855 538975555 /nfs/dbraw/zinc/97/55/55/538975555.db2.gz DXCKCSCCGMAKGW-LBPRGKRZSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1cccc(NC(=O)[C@H](C)C2CCCC2)c1 ZINC000041334858 538975686 /nfs/dbraw/zinc/97/56/86/538975686.db2.gz DXCKCSCCGMAKGW-GFCCVEGCSA-N 0 0 231.339 3.760 20 0 BHADRN CCN(C(=O)[C@@H](C)C1CCCC1)c1ccccc1 ZINC000041335077 537886075 /nfs/dbraw/zinc/88/60/75/537886075.db2.gz QJWSECKZWNGFBU-ZDUSSCGKSA-N 0 0 245.366 3.866 20 0 BHADRN CCN(C(=O)[C@H](C)C1CCCC1)c1ccccc1 ZINC000041335081 538975400 /nfs/dbraw/zinc/97/54/00/538975400.db2.gz QJWSECKZWNGFBU-CYBMUJFWSA-N 0 0 245.366 3.866 20 0 BHADRN C[C@H](C(=O)Nc1ccccc1F)C1CCCC1 ZINC000041335127 538975721 /nfs/dbraw/zinc/97/57/21/538975721.db2.gz GIQHSHHZMSECNW-JTQLQIEISA-N 0 0 235.302 3.591 20 0 BHADRN C[C@@H](C(=O)Nc1ccccc1F)C1CCCC1 ZINC000041335129 538975380 /nfs/dbraw/zinc/97/53/80/538975380.db2.gz GIQHSHHZMSECNW-SNVBAGLBSA-N 0 0 235.302 3.591 20 0 BHADRN C[C@H](C(=O)Nc1ccc(F)cc1)C1CCCC1 ZINC000041335158 538975486 /nfs/dbraw/zinc/97/54/86/538975486.db2.gz NDVXTCKSNHQPGE-JTQLQIEISA-N 0 0 235.302 3.591 20 0 BHADRN C[C@@H](C(=O)Nc1ccc(F)cc1)C1CCCC1 ZINC000041335161 538975379 /nfs/dbraw/zinc/97/53/79/538975379.db2.gz NDVXTCKSNHQPGE-SNVBAGLBSA-N 0 0 235.302 3.591 20 0 BHADRN C[C@H](C(=O)Nc1cccc(F)c1)C1CCCC1 ZINC000041335996 538975484 /nfs/dbraw/zinc/97/54/84/538975484.db2.gz RAPXBWRKEUJFRP-JTQLQIEISA-N 0 0 235.302 3.591 20 0 BHADRN C[C@@H](C(=O)Nc1cccc(F)c1)C1CCCC1 ZINC000041335998 538975405 /nfs/dbraw/zinc/97/54/05/538975405.db2.gz RAPXBWRKEUJFRP-SNVBAGLBSA-N 0 0 235.302 3.591 20 0 BHADRN C1CC1c1nnc(SC2CCCC2)n1C1CC1 ZINC000041351381 358508164 /nfs/dbraw/zinc/50/81/64/358508164.db2.gz BYTUDQOJVHWSBU-UHFFFAOYSA-N 0 0 249.383 3.525 20 0 BHADRN CSCc1ncc(-c2ccc(C)cc2)o1 ZINC000041363786 357030122 /nfs/dbraw/zinc/03/01/22/357030122.db2.gz ODCSUKPGOHBYOI-UHFFFAOYSA-N 0 0 219.309 3.513 20 0 BHADRN CSCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000041363791 358508177 /nfs/dbraw/zinc/50/81/77/358508177.db2.gz RJDVYWYMFWLCCO-UHFFFAOYSA-N 0 0 239.727 3.858 20 0 BHADRN CCSCc1ncc(-c2ccccc2)o1 ZINC000041363891 323208019 /nfs/dbraw/zinc/20/80/19/323208019.db2.gz NYEOPNOQHZZYBM-UHFFFAOYSA-N 0 0 219.309 3.595 20 0 BHADRN CCSCc1ncc(-c2ccc(C)cc2)o1 ZINC000041363893 357029671 /nfs/dbraw/zinc/02/96/71/357029671.db2.gz GGWJMMRTJSCJBR-UHFFFAOYSA-N 0 0 233.336 3.903 20 0 BHADRN CCSCc1ncc(-c2ccc(OC)cc2)o1 ZINC000041363894 343419477 /nfs/dbraw/zinc/41/94/77/343419477.db2.gz CABSLBHCABNCRF-UHFFFAOYSA-N 0 0 249.335 3.603 20 0 BHADRN CCSCc1ncc(-c2ccc(F)cc2)o1 ZINC000041363897 323207895 /nfs/dbraw/zinc/20/78/95/323207895.db2.gz MYKXXCALRSCGIY-UHFFFAOYSA-N 0 0 237.299 3.734 20 0 BHADRN CC(C)SCc1ncc(-c2ccccc2)o1 ZINC000041364019 323207848 /nfs/dbraw/zinc/20/78/48/323207848.db2.gz KQSDAPGTDNTWPQ-UHFFFAOYSA-N 0 0 233.336 3.983 20 0 BHADRN CC(C)SCc1ncc(C(C)(C)C)o1 ZINC000041364046 323208065 /nfs/dbraw/zinc/20/80/65/323208065.db2.gz MUNSSCHDADZAMO-UHFFFAOYSA-N 0 0 213.346 3.614 20 0 BHADRN CCCSCc1ncc(-c2ccccc2)o1 ZINC000041364138 323207351 /nfs/dbraw/zinc/20/73/51/323207351.db2.gz PUUSOJVLBRUNGG-UHFFFAOYSA-N 0 0 233.336 3.985 20 0 BHADRN CCCSCc1ncc(C(C)(C)C)o1 ZINC000041364166 323207379 /nfs/dbraw/zinc/20/73/79/323207379.db2.gz RSZXYVSWHNKKNF-UHFFFAOYSA-N 0 0 213.346 3.615 20 0 BHADRN CC(C)(C)c1nnc(SCc2ccccc2)o1 ZINC000041369442 368278807 /nfs/dbraw/zinc/27/88/07/368278807.db2.gz FAXWTWREXZXMEC-UHFFFAOYSA-N 0 0 248.351 3.659 20 0 BHADRN CCCCSc1nnc(-c2cccs2)o1 ZINC000041384627 368281506 /nfs/dbraw/zinc/28/15/06/368281506.db2.gz NZPARDDQUANAAT-UHFFFAOYSA-N 0 0 240.353 3.690 20 0 BHADRN CCCCSc1nnc(-c2ccoc2C)o1 ZINC000041384760 168933640 /nfs/dbraw/zinc/93/36/40/168933640.db2.gz MKDVXEBFIZKMGE-UHFFFAOYSA-N 0 0 238.312 3.530 20 0 BHADRN c1ccc(CCSC2CCCC2)cc1 ZINC000041391373 368281485 /nfs/dbraw/zinc/28/14/85/368281485.db2.gz ZODDMSMWALGJAF-UHFFFAOYSA-N 0 0 206.354 3.905 20 0 BHADRN CC(C)(C)c1cnc(COc2ccccc2)o1 ZINC000041391696 323208424 /nfs/dbraw/zinc/20/84/24/323208424.db2.gz YYVYYDPJBKHSAO-UHFFFAOYSA-N 0 0 231.295 3.551 20 0 BHADRN Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000041391760 178816523 /nfs/dbraw/zinc/81/65/23/178816523.db2.gz KSNAVBXDYMUVGB-UHFFFAOYSA-N 0 0 216.255 3.713 20 0 BHADRN Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000041391762 323208413 /nfs/dbraw/zinc/20/84/13/323208413.db2.gz TWLRUZDSONRQAI-UHFFFAOYSA-N 0 0 212.292 3.882 20 0 BHADRN Cc1ccc(OCc2ccccc2C)cc1 ZINC000041391766 323208418 /nfs/dbraw/zinc/20/84/18/323208418.db2.gz VNCPJIGZFQVOPC-UHFFFAOYSA-N 0 0 212.292 3.882 20 0 BHADRN Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000041391770 323208330 /nfs/dbraw/zinc/20/83/30/323208330.db2.gz VIBNQGORIPGYGN-UHFFFAOYSA-N 0 0 216.255 3.713 20 0 BHADRN Cc1ccc(OCc2ncc(C(C)(C)C)o2)cc1 ZINC000041391823 323208291 /nfs/dbraw/zinc/20/82/91/323208291.db2.gz DALAZYITQVQOPB-UHFFFAOYSA-N 0 0 245.322 3.860 20 0 BHADRN Cc1ccc(C[N@H+](C)Cc2cccs2)cc1 ZINC000041392510 323208119 /nfs/dbraw/zinc/20/81/19/323208119.db2.gz IVECKKYSVLHUEA-UHFFFAOYSA-N 0 0 231.364 3.689 20 0 BHADRN Cc1cccc(COc2ccc(F)cc2)c1 ZINC000041393085 323208530 /nfs/dbraw/zinc/20/85/30/323208530.db2.gz WKYUTCILMKDYGU-UHFFFAOYSA-N 0 0 216.255 3.713 20 0 BHADRN Cc1ccc(COc2ccc(F)cc2)cc1 ZINC000041393087 323208519 /nfs/dbraw/zinc/20/85/19/323208519.db2.gz JAVMGEVGEFPDQF-UHFFFAOYSA-N 0 0 216.255 3.713 20 0 BHADRN Cc1ccccc1COc1ccc(F)cc1 ZINC000041393091 179286499 /nfs/dbraw/zinc/28/64/99/179286499.db2.gz TWOIUWRENRNNTG-UHFFFAOYSA-N 0 0 216.255 3.713 20 0 BHADRN Fc1ccc(OCc2cccc(F)c2)cc1 ZINC000041393095 343420379 /nfs/dbraw/zinc/42/03/79/343420379.db2.gz VAMDDARFCWQAGH-UHFFFAOYSA-N 0 0 220.218 3.544 20 0 BHADRN CC(C)(C)c1cnc(COc2ccc(F)cc2)o1 ZINC000041393149 323208494 /nfs/dbraw/zinc/20/84/94/323208494.db2.gz CMOIMQGQTFKARI-UHFFFAOYSA-N 0 0 249.285 3.690 20 0 BHADRN Cc1ccccc1OCc1ccc(F)cc1 ZINC000041393159 384190440 /nfs/dbraw/zinc/19/04/40/384190440.db2.gz NSGUTHRMSLQWIC-UHFFFAOYSA-N 0 0 216.255 3.713 20 0 BHADRN Cc1cccc(COc2ccccc2C)c1 ZINC000041393160 323208520 /nfs/dbraw/zinc/20/85/20/323208520.db2.gz IAFZQBQBLVYDTN-UHFFFAOYSA-N 0 0 212.292 3.882 20 0 BHADRN Cc1ccc(COc2ccccc2C)cc1 ZINC000041393161 343420404 /nfs/dbraw/zinc/42/04/04/343420404.db2.gz RYXUFINAMSYWQJ-UHFFFAOYSA-N 0 0 212.292 3.882 20 0 BHADRN Cc1ccccc1COc1ccccc1C ZINC000041393163 179286833 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3.622 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)CCc1cccc(C)c1 ZINC000041474290 410923741 /nfs/dbraw/zinc/92/37/41/410923741.db2.gz WLKYUKVXFLWKBY-CQSZACIVSA-N 0 0 247.382 3.575 20 0 BHADRN CCC[C@H](C)N(C)C(=O)CCc1cccc(C)c1 ZINC000041474292 410924418 /nfs/dbraw/zinc/92/44/18/410924418.db2.gz WLKYUKVXFLWKBY-AWEZNQCLSA-N 0 0 247.382 3.575 20 0 BHADRN CC(C)CNc1ccnc2ccc(Cl)cc21 ZINC000041474741 388458306 /nfs/dbraw/zinc/45/83/06/388458306.db2.gz HDQBWVMBAZNYIG-UHFFFAOYSA-N 0 0 234.730 3.956 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1ccc(CC)s1 ZINC000041475320 641544309 /nfs/dbraw/zinc/54/43/09/641544309.db2.gz LVRJGXWMGMBZMY-SNVBAGLBSA-N 0 0 239.384 3.571 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1ccc(CC)s1 ZINC000041475323 641544143 /nfs/dbraw/zinc/54/41/43/641544143.db2.gz LVRJGXWMGMBZMY-JTQLQIEISA-N 0 0 239.384 3.571 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1cc(C)sc1C ZINC000041476059 411162353 /nfs/dbraw/zinc/16/23/53/411162353.db2.gz OOOZKDOIWVQJEP-SECBINFHSA-N 0 0 239.384 3.626 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1cc(C)sc1C ZINC000041476062 410924797 /nfs/dbraw/zinc/92/47/97/410924797.db2.gz OOOZKDOIWVQJEP-VIFPVBQESA-N 0 0 239.384 3.626 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1ccc(C)c(C)c1 ZINC000041476738 357427104 /nfs/dbraw/zinc/42/71/04/357427104.db2.gz OKBGOANNNDYEPG-CYBMUJFWSA-N 0 0 233.355 3.564 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1ccc(C)c(C)c1 ZINC000041476741 357426946 /nfs/dbraw/zinc/42/69/46/357426946.db2.gz OKBGOANNNDYEPG-ZDUSSCGKSA-N 0 0 233.355 3.564 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1ccc(CC)cc1 ZINC000041477135 357430088 /nfs/dbraw/zinc/43/00/88/357430088.db2.gz ZIWHEUZYVIIOLH-GFCCVEGCSA-N 0 0 233.355 3.510 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1ccc(CC)cc1 ZINC000041477138 357430175 /nfs/dbraw/zinc/43/01/75/357430175.db2.gz ZIWHEUZYVIIOLH-LBPRGKRZSA-N 0 0 233.355 3.510 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)CCC1CCCC1 ZINC000041477237 357431160 /nfs/dbraw/zinc/43/11/60/357431160.db2.gz HFBKSGGWFPOYPZ-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@H](C)N(C)C(=O)CCC1CCCC1 ZINC000041477240 357431509 /nfs/dbraw/zinc/43/15/09/357431509.db2.gz HFBKSGGWFPOYPZ-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1cc(C)cc(C)c1 ZINC000041477255 357430969 /nfs/dbraw/zinc/43/09/69/357430969.db2.gz WFPXXUQRQAVBJA-CYBMUJFWSA-N 0 0 233.355 3.564 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1cc(C)cc(C)c1 ZINC000041477258 357431044 /nfs/dbraw/zinc/43/10/44/357431044.db2.gz WFPXXUQRQAVBJA-ZDUSSCGKSA-N 0 0 233.355 3.564 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1cccc(Cl)c1 ZINC000041477539 357432154 /nfs/dbraw/zinc/43/21/54/357432154.db2.gz UCLURIHZJHYWMR-SNVBAGLBSA-N 0 0 239.746 3.601 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1cccc(Cl)c1 ZINC000041477542 357432148 /nfs/dbraw/zinc/43/21/48/357432148.db2.gz UCLURIHZJHYWMR-JTQLQIEISA-N 0 0 239.746 3.601 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1 ZINC000041477580 357421262 /nfs/dbraw/zinc/42/12/62/357421262.db2.gz IZTJTFXKIBZOOL-SNVBAGLBSA-N 0 0 239.746 3.601 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1ccc(Cl)cc1 ZINC000041477583 357421298 /nfs/dbraw/zinc/42/12/98/357421298.db2.gz IZTJTFXKIBZOOL-JTQLQIEISA-N 0 0 239.746 3.601 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1ccccc1Cl ZINC000041477673 368285843 /nfs/dbraw/zinc/28/58/43/368285843.db2.gz SCRFRFICDGHJGE-SNVBAGLBSA-N 0 0 239.746 3.601 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1ccccc1Cl ZINC000041477676 368285647 /nfs/dbraw/zinc/28/56/47/368285647.db2.gz SCRFRFICDGHJGE-JTQLQIEISA-N 0 0 239.746 3.601 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1cc2ccccc2o1 ZINC000041477703 357432305 /nfs/dbraw/zinc/43/23/05/357432305.db2.gz URGWYGVPWRXCRC-LLVKDONJSA-N 0 0 245.322 3.693 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1cc2ccccc2o1 ZINC000041477706 357432348 /nfs/dbraw/zinc/43/23/48/357432348.db2.gz URGWYGVPWRXCRC-NSHDSACASA-N 0 0 245.322 3.693 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1cc(C)c(C)s1 ZINC000041478070 368285803 /nfs/dbraw/zinc/28/58/03/368285803.db2.gz CLLAWRFVVUNTTK-SNVBAGLBSA-N 0 0 239.384 3.626 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1cc(C)c(C)s1 ZINC000041478073 368286141 /nfs/dbraw/zinc/28/61/41/368286141.db2.gz CLLAWRFVVUNTTK-JTQLQIEISA-N 0 0 239.384 3.626 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)CC1CCCCC1 ZINC000041478463 357437209 /nfs/dbraw/zinc/43/72/09/357437209.db2.gz GYNSVAKUJRIBCG-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@H](C)N(C)C(=O)CC1CCCCC1 ZINC000041478466 357431942 /nfs/dbraw/zinc/43/19/42/357431942.db2.gz GYNSVAKUJRIBCG-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)C[C@@H](C)c1ccccc1 ZINC000041478687 357432340 /nfs/dbraw/zinc/43/23/40/357432340.db2.gz LCRSURWZZJUURD-ZIAGYGMSSA-N 0 0 247.382 3.827 20 0 BHADRN CCC[C@H](C)N(C)C(=O)C[C@@H](C)c1ccccc1 ZINC000041478689 357432315 /nfs/dbraw/zinc/43/23/15/357432315.db2.gz LCRSURWZZJUURD-KGLIPLIRSA-N 0 0 247.382 3.827 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)C[C@H](C)c1ccccc1 ZINC000041478692 357431884 /nfs/dbraw/zinc/43/18/84/357431884.db2.gz LCRSURWZZJUURD-UONOGXRCSA-N 0 0 247.382 3.827 20 0 BHADRN CCC[C@H](C)N(C)C(=O)C[C@H](C)c1ccccc1 ZINC000041478695 357432246 /nfs/dbraw/zinc/43/22/46/357432246.db2.gz LCRSURWZZJUURD-KBPBESRZSA-N 0 0 247.382 3.827 20 0 BHADRN Clc1ccc2nccc(N3CCCCC3)c2c1 ZINC000041479062 358313024 /nfs/dbraw/zinc/31/30/24/358313024.db2.gz DXQISZQOQBNRBH-UHFFFAOYSA-N 0 0 246.741 3.879 20 0 BHADRN Fc1cccc2c(Nc3ccccc3)ncnc12 ZINC000041480113 181004294 /nfs/dbraw/zinc/00/42/94/181004294.db2.gz DRJGEXVYWGBMCE-UHFFFAOYSA-N 0 0 239.253 3.513 20 0 BHADRN Cc1cc(C)cc(Nc2ncnc3ccccc32)c1 ZINC000041480387 487617475 /nfs/dbraw/zinc/61/74/75/487617475.db2.gz ZRPVTQYFTMVEJV-UHFFFAOYSA-N 0 0 249.317 3.990 20 0 BHADRN CC(C)CC(=O)NC1(c2ccccc2)CCCC1 ZINC000041535129 262743036 /nfs/dbraw/zinc/74/30/36/262743036.db2.gz YFCZBDNXSNGKFX-UHFFFAOYSA-N 0 0 245.366 3.618 20 0 BHADRN Cc1nc2cc(NC(=O)C(C)(C)C)ccc2s1 ZINC000041568579 641545867 /nfs/dbraw/zinc/54/58/67/641545867.db2.gz JFTHWVMNFZVHIY-UHFFFAOYSA-N 0 0 248.351 3.589 20 0 BHADRN CC(=O)c1ccc(NCc2ccc(F)cc2)cc1 ZINC000041570780 384634260 /nfs/dbraw/zinc/63/42/60/384634260.db2.gz IJYHSZBCEXIEFD-UHFFFAOYSA-N 0 0 243.281 3.640 20 0 BHADRN CC(=O)c1ccc(NCc2ccccc2F)cc1 ZINC000041570794 387603661 /nfs/dbraw/zinc/60/36/61/387603661.db2.gz AIBDCQRZSRXZLL-UHFFFAOYSA-N 0 0 243.281 3.640 20 0 BHADRN CC(=O)c1ccc(NCc2ccccc2C)cc1 ZINC000041570796 384635301 /nfs/dbraw/zinc/63/53/01/384635301.db2.gz GWZRTBUVQXGIEX-UHFFFAOYSA-N 0 0 239.318 3.810 20 0 BHADRN CC(=O)c1ccc(NCCc2ccccc2)cc1 ZINC000041570810 187394331 /nfs/dbraw/zinc/39/43/31/187394331.db2.gz OXRDEFACHRGLBY-UHFFFAOYSA-N 0 0 239.318 3.544 20 0 BHADRN CC(=O)c1ccc(NCc2cccc(F)c2)cc1 ZINC000041570850 387602027 /nfs/dbraw/zinc/60/20/27/387602027.db2.gz OTBBEYVZYAQDOZ-UHFFFAOYSA-N 0 0 243.281 3.640 20 0 BHADRN Fc1ccccc1NCCCOc1ccccc1 ZINC000041571193 181014594 /nfs/dbraw/zinc/01/45/94/181014594.db2.gz IJDVIIFFJZGPPF-UHFFFAOYSA-N 0 0 245.297 3.707 20 0 BHADRN Fc1cccc(NCCCOc2ccccc2)c1 ZINC000041571358 181002047 /nfs/dbraw/zinc/00/20/47/181002047.db2.gz SXXFIOXYCBYBQI-UHFFFAOYSA-N 0 0 245.297 3.707 20 0 BHADRN Cc1noc(C)c1CNc1c(C)cccc1C ZINC000041571734 179043421 /nfs/dbraw/zinc/04/34/21/179043421.db2.gz OZXIQBNQOWSYSI-UHFFFAOYSA-N 0 0 230.311 3.520 20 0 BHADRN Cc1cccc(NCCCOc2ccccc2)c1 ZINC000041571956 179143542 /nfs/dbraw/zinc/14/35/42/179143542.db2.gz RWXIMQVIYPKNTM-UHFFFAOYSA-N 0 0 241.334 3.876 20 0 BHADRN Cc1ccccc1NCCCOc1ccccc1 ZINC000041572018 179304738 /nfs/dbraw/zinc/30/47/38/179304738.db2.gz AFTBUINFEBDRTR-UHFFFAOYSA-N 0 0 241.334 3.876 20 0 BHADRN CC(=O)c1cccc(NCc2ccc(F)cc2)c1 ZINC000041578553 166477288 /nfs/dbraw/zinc/47/72/88/166477288.db2.gz PWUSYKLTIAFMOF-UHFFFAOYSA-N 0 0 243.281 3.640 20 0 BHADRN CC(=O)c1cccc(NCc2ccccc2F)c1 ZINC000041578567 166477615 /nfs/dbraw/zinc/47/76/15/166477615.db2.gz IPFXXIOLXNCVRM-UHFFFAOYSA-N 0 0 243.281 3.640 20 0 BHADRN CC(=O)c1cccc(NCc2ccccc2C)c1 ZINC000041578569 538976144 /nfs/dbraw/zinc/97/61/44/538976144.db2.gz PIKMDBVBULHRTO-UHFFFAOYSA-N 0 0 239.318 3.810 20 0 BHADRN CCCCCCNc1cccc(C(C)=O)c1 ZINC000041578587 641545937 /nfs/dbraw/zinc/54/59/37/641545937.db2.gz KYXBZGQXBGSVLC-UHFFFAOYSA-N 0 0 219.328 3.881 20 0 BHADRN CC(=O)c1cccc(NCCc2ccccc2)c1 ZINC000041578589 384636020 /nfs/dbraw/zinc/63/60/20/384636020.db2.gz JIRNMSLZPQWCAX-UHFFFAOYSA-N 0 0 239.318 3.544 20 0 BHADRN CC(=O)c1cccc(NCc2cccc(F)c2)c1 ZINC000041578634 387602989 /nfs/dbraw/zinc/60/29/89/387602989.db2.gz AXGVNMCRFGTANW-UHFFFAOYSA-N 0 0 243.281 3.640 20 0 BHADRN Cc1ccc(NCCCOc2ccccc2)cc1 ZINC000041578944 342996048 /nfs/dbraw/zinc/99/60/48/342996048.db2.gz FMGBAJLOYIUYLI-UHFFFAOYSA-N 0 0 241.334 3.876 20 0 BHADRN c1ccc(NCCCCOc2ccccc2)cc1 ZINC000041579392 384636316 /nfs/dbraw/zinc/63/63/16/384636316.db2.gz RMSFDALGQIUKBS-UHFFFAOYSA-N 0 0 241.334 3.958 20 0 BHADRN CC(C)=CC(=O)Nc1cccc(C(C)C)c1 ZINC000041591225 644533107 /nfs/dbraw/zinc/53/31/07/644533107.db2.gz WVONYSFVEIYIJY-UHFFFAOYSA-N 0 0 217.312 3.715 20 0 BHADRN CCNc1cccc(Oc2ccccc2)c1 ZINC000041635972 322836420 /nfs/dbraw/zinc/83/64/20/322836420.db2.gz ZOFYRRQYYKRASX-UHFFFAOYSA-N 0 0 213.280 3.911 20 0 BHADRN c1[nH]nc(-c2ccccc2)c1CNc1ccccc1 ZINC000041638012 384728430 /nfs/dbraw/zinc/72/84/30/384728430.db2.gz SDWUGYJFGJCPNG-UHFFFAOYSA-N 0 0 249.317 3.689 20 0 BHADRN O=Cc1cc(Cl)ccc1OCC1CCCC1 ZINC000041639598 358332626 /nfs/dbraw/zinc/33/26/26/358332626.db2.gz LVDQCGBMTKJWGD-UHFFFAOYSA-N 0 0 238.714 3.722 20 0 BHADRN Cc1cccc(OCc2ncc(C(C)(C)C)o2)c1 ZINC000041647271 358333808 /nfs/dbraw/zinc/33/38/08/358333808.db2.gz OKYJVXKZZZGSOC-UHFFFAOYSA-N 0 0 245.322 3.860 20 0 BHADRN CC(C)(C)c1cnc(COc2cccc(F)c2)o1 ZINC000041647329 323214776 /nfs/dbraw/zinc/21/47/76/323214776.db2.gz LOPNJRZBOYTNNN-UHFFFAOYSA-N 0 0 249.285 3.690 20 0 BHADRN Cc1ccc2sc(NC(C)C)nc2c1C ZINC000041651515 178991549 /nfs/dbraw/zinc/99/15/49/178991549.db2.gz ZTJLUTOPAYGLJX-UHFFFAOYSA-N 0 0 220.341 3.733 20 0 BHADRN Cc1cc2sc(NC(C)C)nc2c(C)c1 ZINC000041651521 641544780 /nfs/dbraw/zinc/54/47/80/641544780.db2.gz ZSKRPIHLDOVWJV-UHFFFAOYSA-N 0 0 220.341 3.733 20 0 BHADRN CCC[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000041720266 351596724 /nfs/dbraw/zinc/59/67/24/351596724.db2.gz PYUOEPGYIXEUBT-NSHDSACASA-N 0 0 214.312 3.835 20 0 BHADRN O=C(CCCc1cccs1)Nc1ccccc1 ZINC000041779390 358513785 /nfs/dbraw/zinc/51/37/85/358513785.db2.gz XFAARLYGFGRLFD-UHFFFAOYSA-N 0 0 245.347 3.710 20 0 BHADRN CCc1cc(C(=O)Nc2ccccc2)sc1C ZINC000041779395 171756060 /nfs/dbraw/zinc/75/60/60/171756060.db2.gz JNRFNLCKSAHUKD-UHFFFAOYSA-N 0 0 245.347 3.871 20 0 BHADRN Cc1ccc(NC(=O)CCC(C)C)c(C)c1 ZINC000041779629 178722462 /nfs/dbraw/zinc/72/24/62/178722462.db2.gz OCRMUGMXSRJBCN-UHFFFAOYSA-N 0 0 219.328 3.678 20 0 BHADRN Cc1cccc(NC(=O)CCC(C)C)c1C ZINC000041779646 179126546 /nfs/dbraw/zinc/12/65/46/179126546.db2.gz CBFNIRJTPJWLQH-UHFFFAOYSA-N 0 0 219.328 3.678 20 0 BHADRN Cc1ccc(NC(=O)CCC(C)C)cc1C ZINC000041779701 374185966 /nfs/dbraw/zinc/18/59/66/374185966.db2.gz JRYVRUKOVXPSPH-UHFFFAOYSA-N 0 0 219.328 3.678 20 0 BHADRN CC(C)CCC(=O)Nc1ccccc1Cl ZINC000041779862 166797032 /nfs/dbraw/zinc/79/70/32/166797032.db2.gz 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ZIRRKMKGADNNKV-KBPBESRZSA-N 0 0 245.366 3.581 20 0 BHADRN CCCCN(CC)C(=O)CCC1CCCC1 ZINC000041781837 410936164 /nfs/dbraw/zinc/93/61/64/410936164.db2.gz OXTDTTKVNMEKIP-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCN(CC)C(=O)c1cc2ccccc2o1 ZINC000041781839 343423941 /nfs/dbraw/zinc/42/39/41/343423941.db2.gz SINGTRAQVYNLGH-UHFFFAOYSA-N 0 0 245.322 3.695 20 0 BHADRN CCCCN(CC)C(=O)c1cccc(C)c1C ZINC000041781849 410937141 /nfs/dbraw/zinc/93/71/41/410937141.db2.gz KPUKQPJYNOQYQN-UHFFFAOYSA-N 0 0 233.355 3.566 20 0 BHADRN CCCCN(CC)C(=O)c1ccc(CC)cc1 ZINC000041781855 410935548 /nfs/dbraw/zinc/93/55/48/410935548.db2.gz IRDXXMRNNRQMED-UHFFFAOYSA-N 0 0 233.355 3.511 20 0 BHADRN CCCCN(CC)C(=O)c1ccc(C)cc1C ZINC000041781857 410936463 /nfs/dbraw/zinc/93/64/63/410936463.db2.gz RWUSNXGIVDRGDK-UHFFFAOYSA-N 0 0 233.355 3.566 20 0 BHADRN CCCCN(CC)C(=O)c1cc(C)ccc1C ZINC000041781896 410936096 /nfs/dbraw/zinc/93/60/96/410936096.db2.gz WRDGPAPRQRZFFX-UHFFFAOYSA-N 0 0 233.355 3.566 20 0 BHADRN CCCCN(CC)C(=O)c1cc(C)cc(C)c1 ZINC000041781897 168795938 /nfs/dbraw/zinc/79/59/38/168795938.db2.gz QAHJPHFIEXQGMA-UHFFFAOYSA-N 0 0 233.355 3.566 20 0 BHADRN CCCCN(CC)C(=O)C[C@@H](C)c1ccccc1 ZINC000041781901 410937129 /nfs/dbraw/zinc/93/71/29/410937129.db2.gz YSNHQUSKJZDXOT-CQSZACIVSA-N 0 0 247.382 3.829 20 0 BHADRN CCCCN(CC)C(=O)C[C@H](C)c1ccccc1 ZINC000041781902 410935850 /nfs/dbraw/zinc/93/58/50/410935850.db2.gz YSNHQUSKJZDXOT-AWEZNQCLSA-N 0 0 247.382 3.829 20 0 BHADRN CCCCN(CC)C(=O)CC1CCCCC1 ZINC000041781927 385596096 /nfs/dbraw/zinc/59/60/96/385596096.db2.gz GXVXDEFKRRQXLP-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN C[C@@H]1CCCC[C@@H]1NC(=O)CC1CCCCC1 ZINC000041782035 385597140 /nfs/dbraw/zinc/59/71/40/385597140.db2.gz IDKDBOIVYUYXBZ-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCCC[C@@H]1NC(=O)CC1CCCCC1 ZINC000041782036 385597842 /nfs/dbraw/zinc/59/78/42/385597842.db2.gz IDKDBOIVYUYXBZ-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCCC[C@H]1NC(=O)CC1CCCCC1 ZINC000041782037 262743141 /nfs/dbraw/zinc/74/31/41/262743141.db2.gz IDKDBOIVYUYXBZ-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCCC[C@H]1NC(=O)CC1CCCCC1 ZINC000041782038 398023213 /nfs/dbraw/zinc/02/32/13/398023213.db2.gz IDKDBOIVYUYXBZ-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1ccc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000041782071 410935705 /nfs/dbraw/zinc/93/57/05/410935705.db2.gz CDDDYUKKGZAMBA-DZGCQCFKSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(C)c(C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000041782072 410936285 /nfs/dbraw/zinc/93/62/85/410936285.db2.gz CDDDYUKKGZAMBA-ZFWWWQNUSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(C)c(C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000041782073 410936954 /nfs/dbraw/zinc/93/69/54/410936954.db2.gz CDDDYUKKGZAMBA-UKRRQHHQSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(C)c(C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000041782074 410936459 /nfs/dbraw/zinc/93/64/59/410936459.db2.gz CDDDYUKKGZAMBA-HIFRSBDPSA-N 0 0 245.366 3.612 20 0 BHADRN C[C@@H]1CCCC[C@@H]1NC(=O)CCC1CCCC1 ZINC000041782075 488057349 /nfs/dbraw/zinc/05/73/49/488057349.db2.gz LZTCRSSFNOIFQH-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCCC[C@@H]1NC(=O)CCC1CCCC1 ZINC000041782076 410936587 /nfs/dbraw/zinc/93/65/87/410936587.db2.gz LZTCRSSFNOIFQH-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCCC[C@H]1NC(=O)CCC1CCCC1 ZINC000041782077 410937035 /nfs/dbraw/zinc/93/70/35/410937035.db2.gz LZTCRSSFNOIFQH-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCCC[C@H]1NC(=O)CCC1CCCC1 ZINC000041782078 410935727 /nfs/dbraw/zinc/93/57/27/410935727.db2.gz LZTCRSSFNOIFQH-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1ccc(NC(=O)C(C)C)cc1C(F)(F)F ZINC000041850133 355886662 /nfs/dbraw/zinc/88/66/62/355886662.db2.gz YVNYRABNFVUMFB-UHFFFAOYSA-N 0 0 245.244 3.608 20 0 BHADRN CCCC(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000041850137 355886915 /nfs/dbraw/zinc/88/69/15/355886915.db2.gz OPKUOYIMDGMUGF-UHFFFAOYSA-N 0 0 245.244 3.752 20 0 BHADRN CC(C)CC(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000041868027 410940543 /nfs/dbraw/zinc/94/05/43/410940543.db2.gz XXEIDWCTFZAEBT-HNNXBMFYSA-N 0 0 247.382 3.936 20 0 BHADRN CC(C)CC(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000041868029 410940599 /nfs/dbraw/zinc/94/05/99/410940599.db2.gz XXEIDWCTFZAEBT-OAHLLOKOSA-N 0 0 247.382 3.936 20 0 BHADRN CC(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000041868050 355887148 /nfs/dbraw/zinc/88/71/48/355887148.db2.gz KCPJGGJGFKFHKI-ZDUSSCGKSA-N 0 0 233.355 3.546 20 0 BHADRN CC(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000041868052 355886753 /nfs/dbraw/zinc/88/67/53/355886753.db2.gz KCPJGGJGFKFHKI-CYBMUJFWSA-N 0 0 233.355 3.546 20 0 BHADRN CC(C)=CC(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000041868553 711751640 /nfs/dbraw/zinc/75/16/40/711751640.db2.gz UWXSLRXHZRWDIB-OAHLLOKOSA-N 0 0 245.366 3.856 20 0 BHADRN CCCOc1cccc(NC(=O)[C@H](C)CCC)c1 ZINC000041870967 368295450 /nfs/dbraw/zinc/29/54/50/368295450.db2.gz SQXIYCUDCOVACO-GFCCVEGCSA-N 0 0 249.354 3.850 20 0 BHADRN CCCOc1cccc(NC(=O)[C@@H](C)CCC)c1 ZINC000041870969 368294862 /nfs/dbraw/zinc/29/48/62/368294862.db2.gz SQXIYCUDCOVACO-LBPRGKRZSA-N 0 0 249.354 3.850 20 0 BHADRN C[C@H](Nc1cnc2ccccc2n1)c1ccccc1 ZINC000041872374 322836556 /nfs/dbraw/zinc/83/65/56/322836556.db2.gz VJPZOGWKPUOSOO-LBPRGKRZSA-N 0 0 249.317 3.803 20 0 BHADRN C[C@@H](Nc1cnc2ccccc2n1)c1ccccc1 ZINC000041872376 322836561 /nfs/dbraw/zinc/83/65/61/322836561.db2.gz VJPZOGWKPUOSOO-GFCCVEGCSA-N 0 0 249.317 3.803 20 0 BHADRN Fc1cccc(Oc2cnc3ccccc3n2)c1 ZINC000041872398 323215440 /nfs/dbraw/zinc/21/54/40/323215440.db2.gz DHDKIWYERBJNGN-UHFFFAOYSA-N 0 0 240.237 3.561 20 0 BHADRN CCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000041903708 410942515 /nfs/dbraw/zinc/94/25/15/410942515.db2.gz OJNOUVBOSLMERO-MJBXVCDLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000041903712 410942097 /nfs/dbraw/zinc/94/20/97/410942097.db2.gz OJNOUVBOSLMERO-IHRRRGAJSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCN(C(=O)C2CCCC2)[C@H]2CCCC[C@H]12 ZINC000041904040 410942389 /nfs/dbraw/zinc/94/23/89/410942389.db2.gz RMXPZTBHJGDUDL-YUELXQCFSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCN(C(=O)C2CCCC2)[C@@H]2CCCC[C@H]12 ZINC000041904044 410943354 /nfs/dbraw/zinc/94/33/54/410943354.db2.gz RMXPZTBHJGDUDL-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)=CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000041931191 643502334 /nfs/dbraw/zinc/50/23/34/643502334.db2.gz UFXWOFTYEIZDCB-OAHLLOKOSA-N 0 0 245.366 3.509 20 0 BHADRN CC(C)=CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000041931192 641547383 /nfs/dbraw/zinc/54/73/83/641547383.db2.gz UFXWOFTYEIZDCB-HNNXBMFYSA-N 0 0 245.366 3.509 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)[C@H]1CC=CCC1 ZINC000041954340 368297143 /nfs/dbraw/zinc/29/71/43/368297143.db2.gz YXARMKHBSIGVEI-KGLIPLIRSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@H]1CC=CCC1 ZINC000041954343 368297427 /nfs/dbraw/zinc/29/74/27/368297427.db2.gz YXARMKHBSIGVEI-KBPBESRZSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)[C@@H]1CC=CCC1 ZINC000041954346 368297639 /nfs/dbraw/zinc/29/76/39/368297639.db2.gz YXARMKHBSIGVEI-ZIAGYGMSSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@@H]1CC=CCC1 ZINC000041954349 368296847 /nfs/dbraw/zinc/29/68/47/368296847.db2.gz YXARMKHBSIGVEI-UONOGXRCSA-N 0 0 237.387 3.675 20 0 BHADRN CCCN(CC1CC1)C(=O)c1cc(C)ccc1C ZINC000041958548 410948175 /nfs/dbraw/zinc/94/81/75/410948175.db2.gz MTIQQVMIONXWMB-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN CCCN(CC1CC1)C(=O)c1cc(C)cc(C)c1 ZINC000041958551 410948599 /nfs/dbraw/zinc/94/85/99/410948599.db2.gz WUGCEORDZJJXRB-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN CCCN(CC1CC1)C(=O)CCC1CCCC1 ZINC000041958559 410947498 /nfs/dbraw/zinc/94/74/98/410947498.db2.gz HMWXLHGKSUREOX-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCCN(CC1CC1)C(=O)c1ccc(CC)cc1 ZINC000041958623 323216113 /nfs/dbraw/zinc/21/61/13/323216113.db2.gz CXEDIVXSMTYLIT-UHFFFAOYSA-N 0 0 245.366 3.511 20 0 BHADRN CCCN(CC1CC1)C(=O)c1ccc(C)cc1C ZINC000041958632 410947239 /nfs/dbraw/zinc/94/72/39/410947239.db2.gz ACOPRSFAJMSLME-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN CCCN(CC1CC1)C(=O)c1ccc(C)c(C)c1 ZINC000041958681 410949682 /nfs/dbraw/zinc/94/96/82/410949682.db2.gz MESUTLRGBDPQFE-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN CCCN(CC1CC1)C(=O)CC1CCCCC1 ZINC000041958765 410949266 /nfs/dbraw/zinc/94/92/66/410949266.db2.gz DBUBRXTXJDUEAJ-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@H](NC(=O)C=C(C)C)c1ccccc1 ZINC000041975825 641547527 /nfs/dbraw/zinc/54/75/27/641547527.db2.gz ONKZNFBEOISTDU-AWEZNQCLSA-N 0 0 231.339 3.610 20 0 BHADRN CCC[C@@H](NC(=O)C=C(C)C)c1ccccc1 ZINC000041975827 641547951 /nfs/dbraw/zinc/54/79/51/641547951.db2.gz ONKZNFBEOISTDU-CQSZACIVSA-N 0 0 231.339 3.610 20 0 BHADRN CC[C@@H](C)C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000041975935 488270385 /nfs/dbraw/zinc/27/03/85/488270385.db2.gz BRDBTKXPFKBBEL-CYBMUJFWSA-N 0 0 247.382 3.815 20 0 BHADRN CC[C@H](C)C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000041975937 488270461 /nfs/dbraw/zinc/27/04/61/488270461.db2.gz BRDBTKXPFKBBEL-ZDUSSCGKSA-N 0 0 247.382 3.815 20 0 BHADRN CC(C)(C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000041978079 374232111 /nfs/dbraw/zinc/23/21/11/374232111.db2.gz HZVAPIHXWWVTRL-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000041978097 374232153 /nfs/dbraw/zinc/23/21/53/374232153.db2.gz MXDPKHAHAZWIJG-RDBSUJKOSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000041978099 374231993 /nfs/dbraw/zinc/23/19/93/374231993.db2.gz MXDPKHAHAZWIJG-IHRRRGAJSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000041978473 374232326 /nfs/dbraw/zinc/23/23/26/374232326.db2.gz BXJKEYPMIHBFQC-KBPBESRZSA-N 0 0 237.387 3.748 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1cc(C)ccc1C ZINC000041987147 342835522 /nfs/dbraw/zinc/83/55/22/342835522.db2.gz CWZBPAKMKXVYER-CYBMUJFWSA-N 0 0 233.355 3.564 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1cc(C)ccc1C ZINC000041987150 342835505 /nfs/dbraw/zinc/83/55/05/342835505.db2.gz CWZBPAKMKXVYER-ZDUSSCGKSA-N 0 0 233.355 3.564 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)c1ccc(C)cc1C ZINC000041987195 342835491 /nfs/dbraw/zinc/83/54/91/342835491.db2.gz NZONEEURWOUNSX-CYBMUJFWSA-N 0 0 233.355 3.564 20 0 BHADRN CCC[C@H](C)N(C)C(=O)c1ccc(C)cc1C ZINC000041987198 342835426 /nfs/dbraw/zinc/83/54/26/342835426.db2.gz NZONEEURWOUNSX-ZDUSSCGKSA-N 0 0 233.355 3.564 20 0 BHADRN CCCCC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000042009934 358516801 /nfs/dbraw/zinc/51/68/01/358516801.db2.gz MQRNTPSADXSDPK-CQSZACIVSA-N 0 0 231.339 3.540 20 0 BHADRN CCCCC(=O)N1CCC[C@H]1c1ccccc1 ZINC000042009936 358516587 /nfs/dbraw/zinc/51/65/87/358516587.db2.gz MQRNTPSADXSDPK-AWEZNQCLSA-N 0 0 231.339 3.540 20 0 BHADRN CCCCCC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000042009942 358516879 /nfs/dbraw/zinc/51/68/79/358516879.db2.gz TVMQBRJTNAGOBF-OAHLLOKOSA-N 0 0 245.366 3.930 20 0 BHADRN CCCCCC(=O)N1CCC[C@H]1c1ccccc1 ZINC000042009944 358516552 /nfs/dbraw/zinc/51/65/52/358516552.db2.gz TVMQBRJTNAGOBF-HNNXBMFYSA-N 0 0 245.366 3.930 20 0 BHADRN CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccccc1 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343428156 /nfs/dbraw/zinc/42/81/56/343428156.db2.gz AMNDGONFNHUZSX-OAHLLOKOSA-N 0 0 245.366 3.786 20 0 BHADRN CC(C)CCC(=O)N1CCC[C@H]1c1ccccc1 ZINC000042010010 343428079 /nfs/dbraw/zinc/42/80/79/343428079.db2.gz AMNDGONFNHUZSX-HNNXBMFYSA-N 0 0 245.366 3.786 20 0 BHADRN Fc1ccc(NCC2CCCC2)c(F)c1F ZINC000042011154 384631529 /nfs/dbraw/zinc/63/15/29/384631529.db2.gz ZZMHFXXHJOKAOM-UHFFFAOYSA-N 0 0 229.245 3.706 20 0 BHADRN FC(F)Oc1ccccc1NCC1CCCC1 ZINC000042011184 322836576 /nfs/dbraw/zinc/83/65/76/322836576.db2.gz ONRAKAOOQPCMCZ-UHFFFAOYSA-N 0 0 241.281 3.890 20 0 BHADRN O=C(CCC1CCCCC1)NC(C1CC1)C1CC1 ZINC000042012591 323216283 /nfs/dbraw/zinc/21/62/83/323216283.db2.gz XDDVVFDWRQNVSF-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN CCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000042026869 342878795 /nfs/dbraw/zinc/87/87/95/342878795.db2.gz LWFPPIXMHKJSTN-CQSZACIVSA-N 0 0 249.329 3.679 20 0 BHADRN CCCCC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000042026873 342878882 /nfs/dbraw/zinc/87/88/82/342878882.db2.gz 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/nfs/dbraw/zinc/83/67/80/322836780.db2.gz HTDJCWAHIDPPIF-UHFFFAOYSA-N 0 0 229.323 3.677 20 0 BHADRN CC(C)OCCNc1ccc2ccccc2c1 ZINC000042221121 637085505 /nfs/dbraw/zinc/08/55/05/637085505.db2.gz XVDODFGBTCRVHP-UHFFFAOYSA-N 0 0 229.323 3.677 20 0 BHADRN CC(C)OCCNc1ccccc1C(F)(F)F ZINC000042221127 167245978 /nfs/dbraw/zinc/24/59/78/167245978.db2.gz UONDEOWQUZYFJP-UHFFFAOYSA-N 0 0 247.260 3.542 20 0 BHADRN CC(C)OCCNc1cccc(C(F)(F)F)c1 ZINC000042221129 322836751 /nfs/dbraw/zinc/83/67/51/322836751.db2.gz SOXLBBGCILVBKE-UHFFFAOYSA-N 0 0 247.260 3.542 20 0 BHADRN CC(C)OCCNc1ccc(C(C)(C)C)cc1 ZINC000042221133 322836748 /nfs/dbraw/zinc/83/67/48/322836748.db2.gz JKNOICSFKONOHY-UHFFFAOYSA-N 0 0 235.371 3.821 20 0 BHADRN CC(C)OCCNc1ccc(Cl)cc1Cl ZINC000042221142 384636093 /nfs/dbraw/zinc/63/60/93/384636093.db2.gz FXONCDJFDKDMAD-UHFFFAOYSA-N 0 0 248.153 3.830 20 0 BHADRN CC(C)OCCNc1cc(Cl)cc(Cl)c1 ZINC000042221144 384633896 /nfs/dbraw/zinc/63/38/96/384633896.db2.gz DHZUDHWRYDOGOE-UHFFFAOYSA-N 0 0 248.153 3.830 20 0 BHADRN CC(C)OCCNc1ccccc1C(C)C ZINC000042221170 322836691 /nfs/dbraw/zinc/83/66/91/322836691.db2.gz YFKSKGZFWCETNU-UHFFFAOYSA-N 0 0 221.344 3.647 20 0 BHADRN CC(C)OCCNc1ccc(C(C)C)cc1 ZINC000042221172 322836749 /nfs/dbraw/zinc/83/67/49/322836749.db2.gz IATJCWBJFZXLRJ-UHFFFAOYSA-N 0 0 221.344 3.647 20 0 BHADRN CC(C)OCCNc1ccc(C(F)(F)F)cc1 ZINC000042221174 322836659 /nfs/dbraw/zinc/83/66/59/322836659.db2.gz UAHMOBHJUCMZKQ-UHFFFAOYSA-N 0 0 247.260 3.542 20 0 BHADRN CC(C)OCCNc1cccc(Cl)c1Cl ZINC000042221219 356414585 /nfs/dbraw/zinc/41/45/85/356414585.db2.gz MGSDONNFEUAYRR-UHFFFAOYSA-N 0 0 248.153 3.830 20 0 BHADRN COc1cccc(NCc2cc(C)ccc2C)c1 ZINC000042221752 175279528 /nfs/dbraw/zinc/27/95/28/175279528.db2.gz MBRFNFPHSKWWLQ-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccccc1NCc1cc(C)ccc1C ZINC000042221759 175337945 /nfs/dbraw/zinc/33/79/45/175337945.db2.gz ODTJSIYPICSLCS-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(NCc2cc(C)ccc2C)cc1 ZINC000042221868 175151499 /nfs/dbraw/zinc/15/14/99/175151499.db2.gz KLLXKLVFJVAHOL-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN Cc1ccccc1[C@@H](C)Nc1nccs1 ZINC000042228480 179323147 /nfs/dbraw/zinc/32/31/47/179323147.db2.gz MXODLDVOARSMBI-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN CCSCc1ccc(Br)cc1F ZINC000042238783 342995465 /nfs/dbraw/zinc/99/54/65/342995465.db2.gz ULLAPKNTBIGWJI-UHFFFAOYSA-N 0 0 249.148 3.841 20 0 BHADRN COc1cc(F)ccc1NCc1cccc(C)c1 ZINC000042239861 342995461 /nfs/dbraw/zinc/99/54/61/342995461.db2.gz WJCCZHIGKOIKGD-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cc(F)ccc1NCc1ccccc1C ZINC000042239862 174994378 /nfs/dbraw/zinc/99/43/78/174994378.db2.gz JAKHJAXJWUGPRR-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cc(F)ccc1NCc1cccc(F)c1 ZINC000042239863 342995581 /nfs/dbraw/zinc/99/55/81/342995581.db2.gz PONQPQFLGSTYFH-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN COc1cc(F)ccc1NCc1ccccc1F ZINC000042239867 342995475 /nfs/dbraw/zinc/99/54/75/342995475.db2.gz JUEYDQYENZVFHO-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN c1cc(CCNc2nc3ccccc3o2)cs1 ZINC000042240350 398170651 /nfs/dbraw/zinc/17/06/51/398170651.db2.gz ZNAKEAUJEFQCDQ-UHFFFAOYSA-N 0 0 244.319 3.544 20 0 BHADRN COc1ccccc1NCc1cccc(C)c1C ZINC000042243968 175337798 /nfs/dbraw/zinc/33/77/98/175337798.db2.gz RMPAWAIGAKOEBZ-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1cccc(NCc2cccc(C)c2C)c1 ZINC000042244108 175278859 /nfs/dbraw/zinc/27/88/59/175278859.db2.gz ACUIQZQWNKIMQK-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(NCc2cccc(C)c2C)cc1 ZINC000042244117 175152685 /nfs/dbraw/zinc/15/26/85/175152685.db2.gz CUXXTXSPFGRQNL-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN Cc1cc(NC(C2CC2)C2CC2)nc(C(C)C)n1 ZINC000042249726 178152453 /nfs/dbraw/zinc/15/24/53/178152453.db2.gz VMYKKZHYBPZFFN-UHFFFAOYSA-N 0 0 245.370 3.509 20 0 BHADRN Cc1cc([C@@H](C)Nc2nccs2)c(C)s1 ZINC000042249791 178234314 /nfs/dbraw/zinc/23/43/14/178234314.db2.gz QZVZRVVESDUYIW-MRVPVSSYSA-N 0 0 238.381 3.995 20 0 BHADRN Cc1cc([C@H](C)Nc2nccs2)c(C)s1 ZINC000042249796 178260100 /nfs/dbraw/zinc/26/01/00/178260100.db2.gz QZVZRVVESDUYIW-QMMMGPOBSA-N 0 0 238.381 3.995 20 0 BHADRN CC(=O)c1ccc(N(C)CC2CCCCC2)cc1 ZINC000042253333 637102426 /nfs/dbraw/zinc/10/24/26/637102426.db2.gz HUIIHWNNFZYJTN-UHFFFAOYSA-N 0 0 245.366 3.906 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1Nc1nccs1 ZINC000042253501 641549773 /nfs/dbraw/zinc/54/97/73/641549773.db2.gz VWTLMRINTMQXJF-ZJUUUORDSA-N 0 0 210.346 3.524 20 0 BHADRN CC[C@H]1CCCC[C@@H]1Nc1nccs1 ZINC000042253505 641549914 /nfs/dbraw/zinc/54/99/14/641549914.db2.gz VWTLMRINTMQXJF-UWVGGRQHSA-N 0 0 210.346 3.524 20 0 BHADRN CC[C@@H]1CCCC[C@H]1Nc1nccs1 ZINC000042253509 641549544 /nfs/dbraw/zinc/54/95/44/641549544.db2.gz VWTLMRINTMQXJF-NXEZZACHSA-N 0 0 210.346 3.524 20 0 BHADRN CC[C@H]1CCCC[C@H]1Nc1nccs1 ZINC000042253513 641549189 /nfs/dbraw/zinc/54/91/89/641549189.db2.gz VWTLMRINTMQXJF-VHSXEESVSA-N 0 0 210.346 3.524 20 0 BHADRN C[C@H](Nc1ccccn1)c1ccccc1Cl ZINC000042255763 343432959 /nfs/dbraw/zinc/43/29/59/343432959.db2.gz QRZHMQFKEANBND-JTQLQIEISA-N 0 0 232.714 3.908 20 0 BHADRN C[C@@H](Nc1ccccn1)c1ccccc1Cl ZINC000042255767 343432780 /nfs/dbraw/zinc/43/27/80/343432780.db2.gz QRZHMQFKEANBND-SNVBAGLBSA-N 0 0 232.714 3.908 20 0 BHADRN CC(=O)c1sc(Cc2cccc(C)c2)nc1C ZINC000042265946 166493343 /nfs/dbraw/zinc/49/33/43/166493343.db2.gz YHBMMBWXXNYWNT-UHFFFAOYSA-N 0 0 245.347 3.553 20 0 BHADRN CC(=O)c1ccc(OCCC(C)(C)C)cc1 ZINC000042273978 322974738 /nfs/dbraw/zinc/97/47/38/322974738.db2.gz MMTBLVVGHXCMKS-UHFFFAOYSA-N 0 0 220.312 3.704 20 0 BHADRN CCC(=O)c1ccc(OCC2CCCC2)cc1 ZINC000042274128 342995543 /nfs/dbraw/zinc/99/55/43/342995543.db2.gz CTXRBTZVVLHKQF-UHFFFAOYSA-N 0 0 232.323 3.848 20 0 BHADRN CC(C)(C)CCOc1ccc(Cl)cc1C=O ZINC000042274201 637135962 /nfs/dbraw/zinc/13/59/62/637135962.db2.gz HFZCTQUOYMFNOJ-UHFFFAOYSA-N 0 0 240.730 3.968 20 0 BHADRN CC(=O)c1cccc(OCCC(C)(C)C)c1 ZINC000042274219 322836760 /nfs/dbraw/zinc/83/67/60/322836760.db2.gz CBJNQEUYLTUYBY-UHFFFAOYSA-N 0 0 220.312 3.704 20 0 BHADRN Clc1cncc(NCCC2CCCCC2)n1 ZINC000042291500 637152129 /nfs/dbraw/zinc/15/21/29/637152129.db2.gz FGZDPZVHOBIGAC-UHFFFAOYSA-N 0 0 239.750 3.512 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1Nc1cncc(Cl)n1 ZINC000042291541 637152398 /nfs/dbraw/zinc/15/23/98/637152398.db2.gz LICAZFHZLQNJQE-ZJUUUORDSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@H]1CCCC[C@@H]1Nc1cncc(Cl)n1 ZINC000042291545 637152076 /nfs/dbraw/zinc/15/20/76/637152076.db2.gz LICAZFHZLQNJQE-UWVGGRQHSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@@H]1CCCC[C@H]1Nc1cncc(Cl)n1 ZINC000042291549 637153025 /nfs/dbraw/zinc/15/30/25/637153025.db2.gz LICAZFHZLQNJQE-NXEZZACHSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@H]1CCCC[C@H]1Nc1cncc(Cl)n1 ZINC000042291553 637153761 /nfs/dbraw/zinc/15/37/61/637153761.db2.gz LICAZFHZLQNJQE-VHSXEESVSA-N 0 0 239.750 3.511 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cncc(Cl)n2)cc1 ZINC000042291594 642498016 /nfs/dbraw/zinc/49/80/16/642498016.db2.gz VWJDOLLAYWGNJF-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc([C@H](C)Nc2cncc(Cl)n2)cc1 ZINC000042291598 642497089 /nfs/dbraw/zinc/49/70/89/642497089.db2.gz VWJDOLLAYWGNJF-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN COc1cc(F)ccc1NCc1ccc(C)cc1 ZINC000042337614 342996696 /nfs/dbraw/zinc/99/66/96/342996696.db2.gz OJHLWFCWEGXDER-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cc(F)ccc1NCc1cccs1 ZINC000042337618 358521990 /nfs/dbraw/zinc/52/19/90/358521990.db2.gz JLCQNFRGHNWXJM-UHFFFAOYSA-N 0 0 237.299 3.508 20 0 BHADRN COc1cc(F)ccc1NC[C@H]1CC=CCC1 ZINC000042337621 342996702 /nfs/dbraw/zinc/99/67/02/342996702.db2.gz AVSAJUFEDGYHIM-NSHDSACASA-N 0 0 235.302 3.603 20 0 BHADRN COc1cc(F)ccc1NC[C@@H]1CC=CCC1 ZINC000042337622 342996653 /nfs/dbraw/zinc/99/66/53/342996653.db2.gz AVSAJUFEDGYHIM-LLVKDONJSA-N 0 0 235.302 3.603 20 0 BHADRN COc1cc(F)ccc1NCc1ccsc1 ZINC000042337627 358521929 /nfs/dbraw/zinc/52/19/29/358521929.db2.gz VATYDVBCZQYQHA-UHFFFAOYSA-N 0 0 237.299 3.508 20 0 BHADRN CCC(CC)CNc1ccc(F)cc1OC ZINC000042337629 168365631 /nfs/dbraw/zinc/36/56/31/168365631.db2.gz CXBJJUPLTRGIIT-UHFFFAOYSA-N 0 0 225.307 3.682 20 0 BHADRN COc1cc(F)ccc1NC1CCCCC1 ZINC000042337637 342996845 /nfs/dbraw/zinc/99/68/45/342996845.db2.gz ITXHVDDABYVATL-UHFFFAOYSA-N 0 0 223.291 3.579 20 0 BHADRN c1ccc2sc(NC(C3CC3)C3CC3)nc2c1 ZINC000042337923 386687478 /nfs/dbraw/zinc/68/74/78/386687478.db2.gz AEUFBENTYFDEFD-UHFFFAOYSA-N 0 0 244.363 3.897 20 0 BHADRN Cc1cc([C@@H](C)Nc2ccccn2)c(C)s1 ZINC000042337974 178234074 /nfs/dbraw/zinc/23/40/74/178234074.db2.gz FCKBSBSBIGZGSX-SNVBAGLBSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cc([C@H](C)Nc2ccccn2)c(C)s1 ZINC000042337975 178259231 /nfs/dbraw/zinc/25/92/31/178259231.db2.gz FCKBSBSBIGZGSX-JTQLQIEISA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc([C@@H](C)Nc2ccccn2)cc1 ZINC000042338453 386688474 /nfs/dbraw/zinc/68/84/74/386688474.db2.gz XEZZSJPIGOVELF-GFCCVEGCSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1ccc([C@H](C)Nc2ccccn2)cc1 ZINC000042338455 352626779 /nfs/dbraw/zinc/62/67/79/352626779.db2.gz XEZZSJPIGOVELF-LBPRGKRZSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1ccc([C@@H](C)Nc2nccs2)cc1 ZINC000042338470 712720546 /nfs/dbraw/zinc/72/05/46/712720546.db2.gz OWRJDLDVWFPQAA-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccc([C@H](C)Nc2nccs2)cc1 ZINC000042338472 712720558 /nfs/dbraw/zinc/72/05/58/712720558.db2.gz OWRJDLDVWFPQAA-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cc(C)nc(C)n2)cc1 ZINC000042338478 386689581 /nfs/dbraw/zinc/68/95/81/386689581.db2.gz ZOOQDZDORTXOPP-GFCCVEGCSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc([C@H](C)Nc2cc(C)nc(C)n2)cc1 ZINC000042338481 352626795 /nfs/dbraw/zinc/62/67/95/352626795.db2.gz ZOOQDZDORTXOPP-LBPRGKRZSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc([C@@H](C)Nc2nc(C)cc(C)n2)cc1 ZINC000042338483 322837837 /nfs/dbraw/zinc/83/78/37/322837837.db2.gz FHGNEZKTLARPEO-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc([C@H](C)Nc2nc(C)cc(C)n2)cc1 ZINC000042338485 384638158 /nfs/dbraw/zinc/63/81/58/384638158.db2.gz FHGNEZKTLARPEO-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN CC(=O)c1c(F)cccc1N(C)CCC(C)C ZINC000042338560 386689439 /nfs/dbraw/zinc/68/94/39/386689439.db2.gz ASGYXSHITCCWGL-UHFFFAOYSA-N 0 0 237.318 3.511 20 0 BHADRN CCC1CCN(c2cccc(F)c2C(C)=O)CC1 ZINC000042338582 384640222 /nfs/dbraw/zinc/64/02/22/384640222.db2.gz RRMGMHFECKIDMI-UHFFFAOYSA-N 0 0 249.329 3.655 20 0 BHADRN CC(C)CCOCCSc1ccc(O)cc1 ZINC000042350114 322837830 /nfs/dbraw/zinc/83/78/30/322837830.db2.gz WOIPPXIWIJLSGL-UHFFFAOYSA-N 0 0 240.368 3.547 20 0 BHADRN CCSCc1ccc(F)cc1Br ZINC000042351433 322837898 /nfs/dbraw/zinc/83/78/98/322837898.db2.gz AEJFEBCHLGISRR-UHFFFAOYSA-N 0 0 249.148 3.841 20 0 BHADRN CCSCc1ccc(F)c(Br)c1 ZINC000042351442 384640339 /nfs/dbraw/zinc/64/03/39/384640339.db2.gz MPNSKZUNWQOCLU-UHFFFAOYSA-N 0 0 249.148 3.841 20 0 BHADRN CCc1sc(C(=O)NC(CC)CC)cc1C ZINC000042368386 374266386 /nfs/dbraw/zinc/26/63/86/374266386.db2.gz VWPKZMYJSPVZAA-UHFFFAOYSA-N 0 0 239.384 3.537 20 0 BHADRN CCC[C@@H](C)NC(=O)c1cc(C)c(CC)s1 ZINC000042369993 361987397 /nfs/dbraw/zinc/98/73/97/361987397.db2.gz YOIZMLHJACJRRR-SNVBAGLBSA-N 0 0 239.384 3.537 20 0 BHADRN CCC[C@H](C)NC(=O)c1cc(C)c(CC)s1 ZINC000042369996 361988034 /nfs/dbraw/zinc/98/80/34/361988034.db2.gz YOIZMLHJACJRRR-JTQLQIEISA-N 0 0 239.384 3.537 20 0 BHADRN CCc1sc(C(=O)NC(C)(C)CC)cc1C ZINC000042370002 361987862 /nfs/dbraw/zinc/98/78/62/361987862.db2.gz MFTZBJPZJBKNMB-UHFFFAOYSA-N 0 0 239.384 3.537 20 0 BHADRN Fc1ccc(NCC2CCCC2)cc1F ZINC000042374994 322838224 /nfs/dbraw/zinc/83/82/24/322838224.db2.gz VNDFCLJKJLDQKX-UHFFFAOYSA-N 0 0 211.255 3.567 20 0 BHADRN Fc1cccc(NCC2CCCC2)c1F ZINC000042375028 384639626 /nfs/dbraw/zinc/63/96/26/384639626.db2.gz BIAFZXZNAHKAFH-UHFFFAOYSA-N 0 0 211.255 3.567 20 0 BHADRN C[C@H](O)CCc1ccc(OCC2CCCC2)cc1 ZINC000042375071 322838060 /nfs/dbraw/zinc/83/80/60/322838060.db2.gz JWSVLMXVHVXMDS-ZDUSSCGKSA-N 0 0 248.366 3.569 20 0 BHADRN C[C@@H](O)CCc1ccc(OCC2CCCC2)cc1 ZINC000042375072 384637909 /nfs/dbraw/zinc/63/79/09/384637909.db2.gz JWSVLMXVHVXMDS-CYBMUJFWSA-N 0 0 248.366 3.569 20 0 BHADRN Oc1ccc(SCC2CCCC2)cc1 ZINC000042375146 384638249 /nfs/dbraw/zinc/63/82/49/384638249.db2.gz GEDPRBATCAXCSJ-UHFFFAOYSA-N 0 0 208.326 3.675 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cc(C)nc(C)n2)s1 ZINC000042375263 637210307 /nfs/dbraw/zinc/21/03/07/637210307.db2.gz AXWUXVXIYWZKQS-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1ccc([C@H](C)Nc2cc(C)nc(C)n2)s1 ZINC000042375264 637210445 /nfs/dbraw/zinc/21/04/45/637210445.db2.gz AXWUXVXIYWZKQS-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1ccc([C@@H](C)Nc2nc(C)cc(C)n2)s1 ZINC000042375265 637209186 /nfs/dbraw/zinc/20/91/86/637209186.db2.gz RZTPLXCATPYPQW-LLVKDONJSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1ccc([C@H](C)Nc2nc(C)cc(C)n2)s1 ZINC000042375266 637208449 /nfs/dbraw/zinc/20/84/49/637208449.db2.gz RZTPLXCATPYPQW-NSHDSACASA-N 0 0 247.367 3.636 20 0 BHADRN Cc1ccc([C@@H](C)Nc2nccs2)s1 ZINC000042375273 388092370 /nfs/dbraw/zinc/09/23/70/388092370.db2.gz OWGFQOALMADIMY-MRVPVSSYSA-N 0 0 224.354 3.686 20 0 BHADRN Cc1ccc([C@H](C)Nc2nccs2)s1 ZINC000042375274 361987980 /nfs/dbraw/zinc/98/79/80/361987980.db2.gz OWGFQOALMADIMY-QMMMGPOBSA-N 0 0 224.354 3.686 20 0 BHADRN Cc1ccc([C@@H](C)Nc2ccccn2)s1 ZINC000042375279 178851405 /nfs/dbraw/zinc/85/14/05/178851405.db2.gz SQWPLHCYDQMNQS-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccc([C@H](C)Nc2ccccn2)s1 ZINC000042375280 344452062 /nfs/dbraw/zinc/45/20/62/344452062.db2.gz SQWPLHCYDQMNQS-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN CCCC1CCC(Nc2nccs2)CC1 ZINC000042375722 637217291 /nfs/dbraw/zinc/21/72/91/637217291.db2.gz ZAWBDLQWBCXLMP-UHFFFAOYSA-N 0 0 224.373 3.914 20 0 BHADRN CC[C@@H](C)Sc1ncccc1Br ZINC000042376558 322838017 /nfs/dbraw/zinc/83/80/17/322838017.db2.gz JJQYKHITYPDCIQ-SSDOTTSWSA-N 0 0 246.173 3.735 20 0 BHADRN CC[C@H](C)Sc1ncccc1Br ZINC000042376559 322838064 /nfs/dbraw/zinc/83/80/64/322838064.db2.gz JJQYKHITYPDCIQ-ZETCQYMHSA-N 0 0 246.173 3.735 20 0 BHADRN CC(C)CSc1ncccc1Br ZINC000042376560 384639699 /nfs/dbraw/zinc/63/96/99/384639699.db2.gz TVLCKDNKHAXIJC-UHFFFAOYSA-N 0 0 246.173 3.592 20 0 BHADRN CCCCSc1ncccc1Br ZINC000042376569 384638051 /nfs/dbraw/zinc/63/80/51/384638051.db2.gz XHQXVTOWMRTCOW-UHFFFAOYSA-N 0 0 246.173 3.736 20 0 BHADRN CC[C@@H](C)Sc1ccc(Br)cn1 ZINC000042389538 322838127 /nfs/dbraw/zinc/83/81/27/322838127.db2.gz MNFAUWRMUDOXHI-SSDOTTSWSA-N 0 0 246.173 3.735 20 0 BHADRN CC[C@H](C)Sc1ccc(Br)cn1 ZINC000042389541 322838250 /nfs/dbraw/zinc/83/82/50/322838250.db2.gz MNFAUWRMUDOXHI-ZETCQYMHSA-N 0 0 246.173 3.735 20 0 BHADRN CC(C)Oc1ncccc1NCc1cccs1 ZINC000042392013 167314797 /nfs/dbraw/zinc/31/47/97/167314797.db2.gz AQDBMIKUQKRNEN-UHFFFAOYSA-N 0 0 248.351 3.542 20 0 BHADRN CC(C)Oc1ncccc1NCc1ccsc1 ZINC000042392039 167314452 /nfs/dbraw/zinc/31/44/52/167314452.db2.gz YANJWPPEPSJKRA-UHFFFAOYSA-N 0 0 248.351 3.542 20 0 BHADRN Cc1ccc(NCCc2ccc(Cl)cc2)nc1 ZINC000042396525 384637494 /nfs/dbraw/zinc/63/74/94/384637494.db2.gz HZMLNQPBZICFNA-UHFFFAOYSA-N 0 0 246.741 3.698 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1Nc1cccc(F)n1 ZINC000042417122 637239175 /nfs/dbraw/zinc/23/91/75/637239175.db2.gz SQJRDLFSPYIJRE-MNOVXSKESA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@H]1CCCC[C@@H]1Nc1cccc(F)n1 ZINC000042417123 637239794 /nfs/dbraw/zinc/23/97/94/637239794.db2.gz SQJRDLFSPYIJRE-QWRGUYRKSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@@H]1CCCC[C@H]1Nc1cccc(F)n1 ZINC000042417124 637240175 /nfs/dbraw/zinc/24/01/75/637240175.db2.gz SQJRDLFSPYIJRE-GHMZBOCLSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@H]1CCCC[C@H]1Nc1cccc(F)n1 ZINC000042417125 637238607 /nfs/dbraw/zinc/23/86/07/637238607.db2.gz SQJRDLFSPYIJRE-WDEREUQCSA-N 0 0 222.307 3.601 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cccc(F)n2)cc1 ZINC000042417128 398172488 /nfs/dbraw/zinc/17/24/88/398172488.db2.gz PCYYFGGTWXPBIH-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc([C@H](C)Nc2cccc(F)n2)cc1 ZINC000042417129 352622190 /nfs/dbraw/zinc/62/21/90/352622190.db2.gz PCYYFGGTWXPBIH-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cccc(F)n2)s1 ZINC000042417148 178851220 /nfs/dbraw/zinc/85/12/20/178851220.db2.gz DMPLLJMODQSQKZ-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc([C@H](C)Nc2cccc(F)n2)s1 ZINC000042417149 352622627 /nfs/dbraw/zinc/62/26/27/352622627.db2.gz DMPLLJMODQSQKZ-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN CCCC1CCC(Nc2cccc(F)n2)CC1 ZINC000042417150 637239568 /nfs/dbraw/zinc/23/95/68/637239568.db2.gz ZOTRRLCJLQVQDF-UHFFFAOYSA-N 0 0 236.334 3.992 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ncnc2sccc21 ZINC000042417222 170775218 /nfs/dbraw/zinc/77/52/18/170775218.db2.gz BSSHTFKXFAYXKV-RKDXNWHRSA-N 0 0 235.356 3.538 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ncnc2sccc21 ZINC000042417223 171367732 /nfs/dbraw/zinc/36/77/32/171367732.db2.gz BSSHTFKXFAYXKV-DTWKUNHWSA-N 0 0 235.356 3.538 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ncnc2sccc21 ZINC000042417224 352622363 /nfs/dbraw/zinc/62/23/63/352622363.db2.gz BSSHTFKXFAYXKV-BDAKNGLRSA-N 0 0 235.356 3.538 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ncnc2sccc21 ZINC000042417225 171391857 /nfs/dbraw/zinc/39/18/57/171391857.db2.gz BSSHTFKXFAYXKV-IUCAKERBSA-N 0 0 235.356 3.538 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ncnc2ccsc21 ZINC000042417226 358523844 /nfs/dbraw/zinc/52/38/44/358523844.db2.gz VMLPGLTVEZEGLW-RKDXNWHRSA-N 0 0 235.356 3.538 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ncnc2ccsc21 ZINC000042417227 171367965 /nfs/dbraw/zinc/36/79/65/171367965.db2.gz VMLPGLTVEZEGLW-DTWKUNHWSA-N 0 0 235.356 3.538 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ncnc2ccsc21 ZINC000042417228 358523643 /nfs/dbraw/zinc/52/36/43/358523643.db2.gz VMLPGLTVEZEGLW-BDAKNGLRSA-N 0 0 235.356 3.538 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ncnc2ccsc21 ZINC000042417229 171392604 /nfs/dbraw/zinc/39/26/04/171392604.db2.gz VMLPGLTVEZEGLW-IUCAKERBSA-N 0 0 235.356 3.538 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1nc2ccccc2o1 ZINC000042417230 352622214 /nfs/dbraw/zinc/62/22/14/352622214.db2.gz PSETUMMULXKHCF-NXEZZACHSA-N 0 0 218.300 3.674 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1nc2ccccc2o1 ZINC000042417231 171367505 /nfs/dbraw/zinc/36/75/05/171367505.db2.gz PSETUMMULXKHCF-VHSXEESVSA-N 0 0 218.300 3.674 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1nc2ccccc2o1 ZINC000042417232 170791815 /nfs/dbraw/zinc/79/18/15/170791815.db2.gz PSETUMMULXKHCF-ZJUUUORDSA-N 0 0 218.300 3.674 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1nc2ccccc2o1 ZINC000042417233 171391660 /nfs/dbraw/zinc/39/16/60/171391660.db2.gz PSETUMMULXKHCF-UWVGGRQHSA-N 0 0 218.300 3.674 20 0 BHADRN CC1CCC(NC(=O)CCC2CCCC2)CC1 ZINC000042523034 344444924 /nfs/dbraw/zinc/44/49/24/344444924.db2.gz LXQTZODQINKGCD-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc(Cl)cn1 ZINC000042557206 362008499 /nfs/dbraw/zinc/00/84/99/362008499.db2.gz YMIIBCLANXMXNS-RKDXNWHRSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc(Cl)cn1 ZINC000042557210 171367420 /nfs/dbraw/zinc/36/74/20/171367420.db2.gz YMIIBCLANXMXNS-DTWKUNHWSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc(Cl)cn1 ZINC000042557213 362008286 /nfs/dbraw/zinc/00/82/86/362008286.db2.gz YMIIBCLANXMXNS-BDAKNGLRSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc(Cl)cn1 ZINC000042557216 171391129 /nfs/dbraw/zinc/39/11/29/171391129.db2.gz YMIIBCLANXMXNS-IUCAKERBSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ncccc1Cl ZINC000042557231 352623007 /nfs/dbraw/zinc/62/30/07/352623007.db2.gz QRYBEDIGAZIAJN-RKDXNWHRSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ncccc1Cl ZINC000042557234 171368003 /nfs/dbraw/zinc/36/80/03/171368003.db2.gz QRYBEDIGAZIAJN-DTWKUNHWSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ncccc1Cl ZINC000042557237 352623674 /nfs/dbraw/zinc/62/36/74/352623674.db2.gz QRYBEDIGAZIAJN-BDAKNGLRSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ncccc1Cl ZINC000042557240 171392276 /nfs/dbraw/zinc/39/22/76/171392276.db2.gz QRYBEDIGAZIAJN-IUCAKERBSA-N 0 0 212.724 3.582 20 0 BHADRN CCCCC[C@@H](C)Nc1cc(C(C)C)ncn1 ZINC000042571753 637284864 /nfs/dbraw/zinc/28/48/64/637284864.db2.gz GLFFKNAKFYKSKG-GFCCVEGCSA-N 0 0 235.375 3.981 20 0 BHADRN CCCCC[C@H](C)Nc1cc(C(C)C)ncn1 ZINC000042571755 168744143 /nfs/dbraw/zinc/74/41/43/168744143.db2.gz GLFFKNAKFYKSKG-LBPRGKRZSA-N 0 0 235.375 3.981 20 0 BHADRN CCCCC[C@@H](C)Nc1ccc(F)cn1 ZINC000042571770 637285384 /nfs/dbraw/zinc/28/53/84/637285384.db2.gz FFNYYLIXVTXQJQ-SNVBAGLBSA-N 0 0 210.296 3.601 20 0 BHADRN CCCCC[C@H](C)Nc1ccc(F)cn1 ZINC000042571772 637284833 /nfs/dbraw/zinc/28/48/33/637284833.db2.gz FFNYYLIXVTXQJQ-JTQLQIEISA-N 0 0 210.296 3.601 20 0 BHADRN CCCCC[C@@H](C)Nc1cccc(F)n1 ZINC000042576182 344459276 /nfs/dbraw/zinc/45/92/76/344459276.db2.gz RHODLWQNCHYVTI-SNVBAGLBSA-N 0 0 210.296 3.601 20 0 BHADRN CCCCC[C@H](C)Nc1cccc(F)n1 ZINC000042576184 344459309 /nfs/dbraw/zinc/45/93/09/344459309.db2.gz RHODLWQNCHYVTI-JTQLQIEISA-N 0 0 210.296 3.601 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1Nc1ccc(F)cn1 ZINC000042581002 322838858 /nfs/dbraw/zinc/83/88/58/322838858.db2.gz DFBGAWCKSAVJRL-PWSUYJOCSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@H]1CCCC[C@@H]1Nc1ccc(F)cn1 ZINC000042581005 384643098 /nfs/dbraw/zinc/64/30/98/384643098.db2.gz DFBGAWCKSAVJRL-JQWIXIFHSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@@H]1CCCC[C@H]1Nc1ccc(F)cn1 ZINC000042581008 384643870 /nfs/dbraw/zinc/64/38/70/384643870.db2.gz DFBGAWCKSAVJRL-ZYHUDNBSSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@H]1CCCC[C@H]1Nc1ccc(F)cn1 ZINC000042581011 384642971 /nfs/dbraw/zinc/64/29/71/384642971.db2.gz DFBGAWCKSAVJRL-CMPLNLGQSA-N 0 0 222.307 3.601 20 0 BHADRN CCc1cc(N[C@@H](C)CCCC(C)C)ncn1 ZINC000042591311 342778215 /nfs/dbraw/zinc/77/82/15/342778215.db2.gz XUYJNTDLCQRCIM-LBPRGKRZSA-N 0 0 235.375 3.666 20 0 BHADRN CCc1cc(N[C@H](C)CCCC(C)C)ncn1 ZINC000042591314 342778345 /nfs/dbraw/zinc/77/83/45/342778345.db2.gz XUYJNTDLCQRCIM-GFCCVEGCSA-N 0 0 235.375 3.666 20 0 BHADRN CC(C)CCC[C@@H](C)Nc1nccs1 ZINC000042591411 641554411 /nfs/dbraw/zinc/55/44/11/641554411.db2.gz KBPPDPFHYVZVNZ-SNVBAGLBSA-N 0 0 212.362 3.770 20 0 BHADRN CC(C)CCC[C@H](C)Nc1nccs1 ZINC000042591414 641554075 /nfs/dbraw/zinc/55/40/75/641554075.db2.gz KBPPDPFHYVZVNZ-JTQLQIEISA-N 0 0 212.362 3.770 20 0 BHADRN CCCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000042630751 388458551 /nfs/dbraw/zinc/45/85/51/388458551.db2.gz MJDOMYDNRBAFKF-UHFFFAOYSA-N 0 0 219.328 3.723 20 0 BHADRN CC(C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000042630773 343446112 /nfs/dbraw/zinc/44/61/12/343446112.db2.gz KOHYCGZPMSZJQP-UHFFFAOYSA-N 0 0 219.328 3.579 20 0 BHADRN CC(C)(C)c1ccc(NC(=O)C2CCC2)cc1 ZINC000042630774 411025752 /nfs/dbraw/zinc/02/57/52/411025752.db2.gz ZPHVJOREVURWGZ-UHFFFAOYSA-N 0 0 231.339 3.723 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000042631197 411024878 /nfs/dbraw/zinc/02/48/78/411024878.db2.gz DYDMMOGSLQPUHY-SVRRBLITSA-N 0 0 244.121 3.588 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000042631198 411024453 /nfs/dbraw/zinc/02/44/53/411024453.db2.gz DYDMMOGSLQPUHY-XPUUQOCRSA-N 0 0 244.121 3.588 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000042631199 411025644 /nfs/dbraw/zinc/02/56/44/411025644.db2.gz DYDMMOGSLQPUHY-HTRCEHHLSA-N 0 0 244.121 3.588 20 0 BHADRN C[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000042631200 411025938 /nfs/dbraw/zinc/02/59/38/411025938.db2.gz DYDMMOGSLQPUHY-POYBYMJQSA-N 0 0 244.121 3.588 20 0 BHADRN CCCCCC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000042638693 368315277 /nfs/dbraw/zinc/31/52/77/368315277.db2.gz LKLSHKKJDQFXLY-OAHLLOKOSA-N 0 0 245.366 3.713 20 0 BHADRN CCCCCC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000042638694 344946794 /nfs/dbraw/zinc/94/67/94/344946794.db2.gz LKLSHKKJDQFXLY-HNNXBMFYSA-N 0 0 245.366 3.713 20 0 BHADRN CN(C(=O)CC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000042638721 172300892 /nfs/dbraw/zinc/30/08/92/172300892.db2.gz NFZJKNXRCBZNQE-CQSZACIVSA-N 0 0 245.366 3.569 20 0 BHADRN CN(C(=O)CC(C)(C)C)[C@H]1CCc2ccccc21 ZINC000042638722 172300848 /nfs/dbraw/zinc/30/08/48/172300848.db2.gz NFZJKNXRCBZNQE-AWEZNQCLSA-N 0 0 245.366 3.569 20 0 BHADRN CCC[C@@H](C)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000042638739 169347643 /nfs/dbraw/zinc/34/76/43/169347643.db2.gz NDWFHQCMJHKVJX-IUODEOHRSA-N 0 0 245.366 3.569 20 0 BHADRN CCC[C@H](C)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000042638740 384235264 /nfs/dbraw/zinc/23/52/64/384235264.db2.gz NDWFHQCMJHKVJX-SWLSCSKDSA-N 0 0 245.366 3.569 20 0 BHADRN CCC[C@@H](C)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000042638741 169347419 /nfs/dbraw/zinc/34/74/19/169347419.db2.gz NDWFHQCMJHKVJX-DOMZBBRYSA-N 0 0 245.366 3.569 20 0 BHADRN CCC[C@H](C)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000042638742 169469679 /nfs/dbraw/zinc/46/96/79/169469679.db2.gz NDWFHQCMJHKVJX-WFASDCNBSA-N 0 0 245.366 3.569 20 0 BHADRN CC(C)CCC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000042638800 343446027 /nfs/dbraw/zinc/44/60/27/343446027.db2.gz LTSPNACPCPDLFF-OAHLLOKOSA-N 0 0 245.366 3.569 20 0 BHADRN CC(C)CCC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000042638801 343445878 /nfs/dbraw/zinc/44/58/78/343445878.db2.gz LTSPNACPCPDLFF-HNNXBMFYSA-N 0 0 245.366 3.569 20 0 BHADRN CCCCn1c(C)c(C)nc1SC(C)C ZINC000042639670 323251685 /nfs/dbraw/zinc/25/16/85/323251685.db2.gz WLZJPJNODAWRIF-UHFFFAOYSA-N 0 0 226.389 3.801 20 0 BHADRN CC(C)=CC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000042643861 362013905 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CCCCC[C@H](C)Nc1cncc(Cl)n1 ZINC000043538051 344526771 /nfs/dbraw/zinc/52/67/71/344526771.db2.gz CIRVCJABSAFBAJ-VIFPVBQESA-N 0 0 227.739 3.511 20 0 BHADRN CC(C)(C)CC(C)(C)Nc1cncc(Cl)n1 ZINC000043538399 344526697 /nfs/dbraw/zinc/52/66/97/344526697.db2.gz SFVLJNJWEAWYHG-UHFFFAOYSA-N 0 0 241.766 3.757 20 0 BHADRN CCCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000043544825 343477241 /nfs/dbraw/zinc/47/72/41/343477241.db2.gz UWLIYJVGYDCWGJ-GFCCVEGCSA-N 0 0 241.334 3.817 20 0 BHADRN CCCCCC(=O)N[C@@H](C)c1cccs1 ZINC000043545057 491097276 /nfs/dbraw/zinc/09/72/76/491097276.db2.gz GWBBCVPFJUHXBU-JTQLQIEISA-N 0 0 225.357 3.506 20 0 BHADRN CC(C)c1cccc(NC(=O)NCC2CCC2)c1 ZINC000043551304 323285844 /nfs/dbraw/zinc/28/58/44/323285844.db2.gz WJISOZFZKATHKO-UHFFFAOYSA-N 0 0 246.354 3.732 20 0 BHADRN CC(C)c1cccc(NC(=O)NC[C@H]2C[C@H]2C)c1 ZINC000043551311 323286010 /nfs/dbraw/zinc/28/60/10/323286010.db2.gz ZRHFVLSYIMUIOS-DGCLKSJQSA-N 0 0 246.354 3.588 20 0 BHADRN CC(C)c1cccc(NC(=O)NC[C@H]2C[C@@H]2C)c1 ZINC000043551312 323285833 /nfs/dbraw/zinc/28/58/33/323285833.db2.gz ZRHFVLSYIMUIOS-WCQYABFASA-N 0 0 246.354 3.588 20 0 BHADRN CC(C)c1cccc(NC(=O)NC[C@@H]2C[C@H]2C)c1 ZINC000043551313 323285992 /nfs/dbraw/zinc/28/59/92/323285992.db2.gz ZRHFVLSYIMUIOS-YPMHNXCESA-N 0 0 246.354 3.588 20 0 BHADRN CC(C)c1cccc(NC(=O)NC[C@@H]2C[C@@H]2C)c1 ZINC000043551314 323285528 /nfs/dbraw/zinc/28/55/28/323285528.db2.gz ZRHFVLSYIMUIOS-AAEUAGOBSA-N 0 0 246.354 3.588 20 0 BHADRN CC(C)CNC(=O)Nc1cccc(C(C)C)c1 ZINC000043551769 411122629 /nfs/dbraw/zinc/12/26/29/411122629.db2.gz LEECSBRQJKVDFY-UHFFFAOYSA-N 0 0 234.343 3.588 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2cccs2)c1 ZINC000043561472 385167784 /nfs/dbraw/zinc/16/77/84/385167784.db2.gz NSMXRLVPRHBLII-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccnc(N[C@H](C)c2cccs2)c1 ZINC000043561473 385167414 /nfs/dbraw/zinc/16/74/14/385167414.db2.gz NSMXRLVPRHBLII-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN Cc1nc(C)c([C@H](C)Nc2cc(C)ccn2)s1 ZINC000043561580 179454260 /nfs/dbraw/zinc/45/42/60/179454260.db2.gz PJYROUZCXHHUNU-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1nc(C)c([C@@H](C)Nc2cc(C)ccn2)s1 ZINC000043561581 384285769 /nfs/dbraw/zinc/28/57/69/384285769.db2.gz PJYROUZCXHHUNU-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1ccc([C@H](C)Nc2cc(C)ccn2)s1 ZINC000043561639 387659352 /nfs/dbraw/zinc/65/93/52/387659352.db2.gz OUACAYIQVUXILC-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cc(C)ccn2)s1 ZINC000043561640 387658069 /nfs/dbraw/zinc/65/80/69/387658069.db2.gz OUACAYIQVUXILC-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000043561656 387658402 /nfs/dbraw/zinc/65/84/02/387658402.db2.gz MLXXWAXADYQZLF-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccnc(N[C@H](C)c2ccc(F)cc2)c1 ZINC000043561657 387658928 /nfs/dbraw/zinc/65/89/28/387658928.db2.gz MLXXWAXADYQZLF-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2ccccc2C)c1 ZINC000043561666 386710540 /nfs/dbraw/zinc/71/05/40/386710540.db2.gz JCJUTPSCSBOFGA-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccnc(N[C@H](C)c2ccccc2C)c1 ZINC000043561667 386710356 /nfs/dbraw/zinc/71/03/56/386710356.db2.gz JCJUTPSCSBOFGA-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2ccccc2F)c1 ZINC000043561668 387658996 /nfs/dbraw/zinc/65/89/96/387658996.db2.gz TUZVTUAKQNVAIA-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccnc(N[C@H](C)c2ccccc2F)c1 ZINC000043561669 387658127 /nfs/dbraw/zinc/65/81/27/387658127.db2.gz TUZVTUAKQNVAIA-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2cccc(F)c2)c1 ZINC000043561670 387658640 /nfs/dbraw/zinc/65/86/40/387658640.db2.gz HNAOGOFSMCDJQR-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccnc(N[C@H](C)c2cccc(F)c2)c1 ZINC000043561671 387659056 /nfs/dbraw/zinc/65/90/56/387659056.db2.gz HNAOGOFSMCDJQR-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cc(C)ccn2)cc1 ZINC000043561682 386709251 /nfs/dbraw/zinc/70/92/51/386709251.db2.gz KCTNLSXULUYWJR-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc([C@H](C)Nc2cc(C)ccn2)cc1 ZINC000043561683 386709751 /nfs/dbraw/zinc/70/97/51/386709751.db2.gz KCTNLSXULUYWJR-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN COc1cc(Cl)ccc1CNc1ccccc1 ZINC000043565329 384649746 /nfs/dbraw/zinc/64/97/46/384649746.db2.gz RAKSAGJENISQOA-UHFFFAOYSA-N 0 0 247.725 3.961 20 0 BHADRN CCCC[C@@H](CC)C(=O)Nc1ccc(N)c(C)c1 ZINC000043569954 641568519 /nfs/dbraw/zinc/56/85/19/641568519.db2.gz UXVPPMKUIYNGFC-GFCCVEGCSA-N 0 0 248.370 3.732 20 0 BHADRN CCCC[C@H](CC)C(=O)Nc1ccc(N)c(C)c1 ZINC000043569955 641567366 /nfs/dbraw/zinc/56/73/66/641567366.db2.gz UXVPPMKUIYNGFC-LBPRGKRZSA-N 0 0 248.370 3.732 20 0 BHADRN CN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000043626386 368405049 /nfs/dbraw/zinc/40/50/49/368405049.db2.gz ZWZYEVFMWAVUAD-UHFFFAOYSA-N 0 0 247.288 3.597 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)Nc1cccnc1 ZINC000043644418 639004597 /nfs/dbraw/zinc/00/45/97/639004597.db2.gz RWQAEYBRGAGZSR-GFCCVEGCSA-N 0 0 249.358 3.562 20 0 BHADRN CCCCCC[C@H](C)NC(=O)Nc1cccnc1 ZINC000043644419 639004080 /nfs/dbraw/zinc/00/40/80/639004080.db2.gz RWQAEYBRGAGZSR-LBPRGKRZSA-N 0 0 249.358 3.562 20 0 BHADRN CCSCc1ccc(Br)s1 ZINC000043681960 384650020 /nfs/dbraw/zinc/65/00/20/384650020.db2.gz RQTJGUXOVNSWQB-UHFFFAOYSA-N 0 0 237.187 3.764 20 0 BHADRN CCCCC1CCC(C(=O)NCC2CC2)CC1 ZINC000043812431 409858366 /nfs/dbraw/zinc/85/83/66/409858366.db2.gz VFECMAYLUCZGBI-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1cc2cc(NC(=O)CC(C)(C)C)ccc2[nH]1 ZINC000043844661 323380071 /nfs/dbraw/zinc/38/00/71/323380071.db2.gz ORNBKJFLRJYOTL-UHFFFAOYSA-N 0 0 244.338 3.851 20 0 BHADRN CC(C)Sc1nc2ccccc2n1C(F)F ZINC000043875212 167338183 /nfs/dbraw/zinc/33/81/83/167338183.db2.gz JVEZLRCQGMASRY-UHFFFAOYSA-N 0 0 242.294 3.932 20 0 BHADRN N#Cc1ccc(N=NC2CCCCCC2)cc1 ZINC000043975533 639443356 /nfs/dbraw/zinc/44/33/56/639443356.db2.gz BBXPXIVCBMSYHI-UHFFFAOYSA-N 0 0 227.311 3.680 20 0 BHADRN Cc1ccccc1C(=O)N(C)CC1CCCCC1 ZINC000043979530 387915179 /nfs/dbraw/zinc/91/51/79/387915179.db2.gz DMZKJGZWUWGNCC-UHFFFAOYSA-N 0 0 245.366 3.647 20 0 BHADRN Cc1ccc(C(=O)N(C)CC2CCCCC2)cc1 ZINC000043979646 387915330 /nfs/dbraw/zinc/91/53/30/387915330.db2.gz KPGQBGMWHTTYBB-UHFFFAOYSA-N 0 0 245.366 3.647 20 0 BHADRN CN(CC1CCCCC1)C(=O)C1CCCCC1 ZINC000043979733 323808018 /nfs/dbraw/zinc/80/80/18/323808018.db2.gz DMQLFVGBHJQSLR-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1cccc(C(=O)N(C)CC2CCCCC2)c1 ZINC000043979942 387915410 /nfs/dbraw/zinc/91/54/10/387915410.db2.gz KJWJQSFRVATJPY-UHFFFAOYSA-N 0 0 245.366 3.647 20 0 BHADRN Cc1cc(N=NC2CCCCCCC2)nc(C)n1 ZINC000043987985 641583544 /nfs/dbraw/zinc/58/35/44/641583544.db2.gz DUPWNQXPOGPETG-UHFFFAOYSA-N 0 0 246.358 3.606 20 0 BHADRN c1cc2c(ccnc2N=NC2CCCC2)s1 ZINC000044008829 639478308 /nfs/dbraw/zinc/47/83/08/639478308.db2.gz WCFROYNCGPKRPW-UHFFFAOYSA-N 0 0 231.324 3.638 20 0 BHADRN CCC(CC)N=Nc1nccc2sccc21 ZINC000044009369 639477683 /nfs/dbraw/zinc/47/76/83/639477683.db2.gz KODIRHSCKFXGHW-UHFFFAOYSA-N 0 0 233.340 3.884 20 0 BHADRN Cc1ccc(/C=C2/c3ccccc3NC2=O)cc1C ZINC000044013377 178355509 /nfs/dbraw/zinc/35/55/09/178355509.db2.gz MLTVGMKTZVOOMQ-GDNBJRDFSA-N 0 0 249.313 3.796 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)[C@@H](C)CC ZINC000044023993 641583213 /nfs/dbraw/zinc/58/32/13/641583213.db2.gz IKCLLXBSHDBOCD-NWDGAFQWSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@@H](C)CC ZINC000044023995 641584196 /nfs/dbraw/zinc/58/41/96/641584196.db2.gz IKCLLXBSHDBOCD-RYUDHWBXSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)[C@H](C)CC ZINC000044023997 641582733 /nfs/dbraw/zinc/58/27/33/641582733.db2.gz IKCLLXBSHDBOCD-VXGBXAGGSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@H](C)CC ZINC000044023999 641583222 /nfs/dbraw/zinc/58/32/22/641583222.db2.gz IKCLLXBSHDBOCD-NEPJUHHUSA-N 0 0 213.365 3.508 20 0 BHADRN CC(C)CCCCCCNC(=O)c1ccoc1 ZINC000044025392 641583396 /nfs/dbraw/zinc/58/33/96/641583396.db2.gz JHWSDPZBFYMJNC-UHFFFAOYSA-N 0 0 237.343 3.616 20 0 BHADRN CC(C)C(=O)/C(C#N)=C\c1cccc2ccccc12 ZINC000044027283 641585954 /nfs/dbraw/zinc/58/59/54/641585954.db2.gz JFBUEZSDKXSQMG-GDNBJRDFSA-N 0 0 249.313 3.972 20 0 BHADRN CC(C)C(=O)/C(C#N)=C/c1cccc2ccccc12 ZINC000044027284 639492667 /nfs/dbraw/zinc/49/26/67/639492667.db2.gz JFBUEZSDKXSQMG-XNTDXEJSSA-N 0 0 249.313 3.972 20 0 BHADRN CCCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000044041487 387920155 /nfs/dbraw/zinc/92/01/55/387920155.db2.gz NCKKSCAPIPZJBX-NSHDSACASA-N 0 0 245.322 3.752 20 0 BHADRN CCCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000044041491 387921114 /nfs/dbraw/zinc/92/11/14/387921114.db2.gz NCKKSCAPIPZJBX-LLVKDONJSA-N 0 0 245.322 3.752 20 0 BHADRN CC(C)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000044065699 359700175 /nfs/dbraw/zinc/70/01/75/359700175.db2.gz XLSMYNXGDYICCE-NSHDSACASA-N 0 0 245.322 3.608 20 0 BHADRN CC(C)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000044065701 359699948 /nfs/dbraw/zinc/69/99/48/359699948.db2.gz XLSMYNXGDYICCE-LLVKDONJSA-N 0 0 245.322 3.608 20 0 BHADRN CCCc1ccccc1NC(=O)NCC1CCC1 ZINC000044078776 323815611 /nfs/dbraw/zinc/81/56/11/323815611.db2.gz VWHXYXHGOYZLPH-UHFFFAOYSA-N 0 0 246.354 3.561 20 0 BHADRN CCCc1ccccc1NC(=O)N[C@@H](C)C1CC1 ZINC000044079113 323815292 /nfs/dbraw/zinc/81/52/92/323815292.db2.gz ZKKIKGQLADQBSA-NSHDSACASA-N 0 0 246.354 3.559 20 0 BHADRN CCCc1ccccc1NC(=O)N[C@H](C)C1CC1 ZINC000044079115 343491549 /nfs/dbraw/zinc/49/15/49/343491549.db2.gz ZKKIKGQLADQBSA-LLVKDONJSA-N 0 0 246.354 3.559 20 0 BHADRN C/C=C/c1ccc(OCCCC)c(OC)c1 ZINC000044135028 387925178 /nfs/dbraw/zinc/92/51/78/387925178.db2.gz VTCAIAGLQULXQO-FNORWQNLSA-N 0 0 220.312 3.907 20 0 BHADRN CC(C)(C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000044190062 409861314 /nfs/dbraw/zinc/86/13/14/409861314.db2.gz ONELZZNHNOIMSI-UHFFFAOYSA-N 0 0 231.339 3.550 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000044190065 411132993 /nfs/dbraw/zinc/13/29/93/411132993.db2.gz YVDOAIULPOBRLH-LLVKDONJSA-N 0 0 231.339 3.550 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000044190068 411132991 /nfs/dbraw/zinc/13/29/91/411132991.db2.gz YVDOAIULPOBRLH-NSHDSACASA-N 0 0 231.339 3.550 20 0 BHADRN C[C@H](O)CCOc1ccccc1-c1ccccc1 ZINC000044194214 384392562 /nfs/dbraw/zinc/39/25/62/384392562.db2.gz NBGGRKVTXXSIBA-ZDUSSCGKSA-N 0 0 242.318 3.503 20 0 BHADRN C[C@@H](O)CCOc1ccccc1-c1ccccc1 ZINC000044194217 384391348 /nfs/dbraw/zinc/39/13/48/384391348.db2.gz NBGGRKVTXXSIBA-CYBMUJFWSA-N 0 0 242.318 3.503 20 0 BHADRN CC(C)c1ccc(OC[C@H](O)C(C)(C)C)cc1 ZINC000044195302 384651274 /nfs/dbraw/zinc/65/12/74/384651274.db2.gz JMHRGPINWLGWEH-AWEZNQCLSA-N 0 0 236.355 3.596 20 0 BHADRN CC(C)c1ccc(OC[C@@H](O)C(C)(C)C)cc1 ZINC000044195305 384652780 /nfs/dbraw/zinc/65/27/80/384652780.db2.gz JMHRGPINWLGWEH-CQSZACIVSA-N 0 0 236.355 3.596 20 0 BHADRN CC(C)c1cccc(OC[C@H](O)C(C)(C)C)c1 ZINC000044195500 384651447 /nfs/dbraw/zinc/65/14/47/384651447.db2.gz TZRLXFIXDJQZBV-AWEZNQCLSA-N 0 0 236.355 3.596 20 0 BHADRN CC(C)c1cccc(OC[C@@H](O)C(C)(C)C)c1 ZINC000044195502 384651185 /nfs/dbraw/zinc/65/11/85/384651185.db2.gz TZRLXFIXDJQZBV-CQSZACIVSA-N 0 0 236.355 3.596 20 0 BHADRN CC(C)(C)[C@H](O)COc1cccc2ccccc21 ZINC000044214216 384652839 /nfs/dbraw/zinc/65/28/39/384652839.db2.gz JAMWKWCXKBKGPK-OAHLLOKOSA-N 0 0 244.334 3.626 20 0 BHADRN CC(C)(C)[C@@H](O)COc1cccc2ccccc21 ZINC000044214220 322840350 /nfs/dbraw/zinc/84/03/50/322840350.db2.gz JAMWKWCXKBKGPK-HNNXBMFYSA-N 0 0 244.334 3.626 20 0 BHADRN CC(C)(C)[C@H](O)COc1ccc2ccccc2c1 ZINC000044214743 384651590 /nfs/dbraw/zinc/65/15/90/384651590.db2.gz NBSZQIBKKQFSIQ-OAHLLOKOSA-N 0 0 244.334 3.626 20 0 BHADRN CC(C)(C)[C@@H](O)COc1ccc2ccccc2c1 ZINC000044214745 384652601 /nfs/dbraw/zinc/65/26/01/384652601.db2.gz NBSZQIBKKQFSIQ-HNNXBMFYSA-N 0 0 244.334 3.626 20 0 BHADRN CC(C)c1ccccc1OC[C@H](O)C(C)(C)C ZINC000044214967 384652627 /nfs/dbraw/zinc/65/26/27/384652627.db2.gz IGFGMXGGMCWJHW-AWEZNQCLSA-N 0 0 236.355 3.596 20 0 BHADRN CC(C)c1ccccc1OC[C@@H](O)C(C)(C)C ZINC000044214970 384651130 /nfs/dbraw/zinc/65/11/30/384651130.db2.gz IGFGMXGGMCWJHW-CQSZACIVSA-N 0 0 236.355 3.596 20 0 BHADRN C[C@H](O)CCOc1ccc(-c2ccccc2)cc1 ZINC000044215138 384652795 /nfs/dbraw/zinc/65/27/95/384652795.db2.gz JSUPEBAEKSEUPY-ZDUSSCGKSA-N 0 0 242.318 3.503 20 0 BHADRN C[C@@H](O)CCOc1ccc(-c2ccccc2)cc1 ZINC000044215141 322840319 /nfs/dbraw/zinc/84/03/19/322840319.db2.gz JSUPEBAEKSEUPY-CYBMUJFWSA-N 0 0 242.318 3.503 20 0 BHADRN CCC(CC)NC(=O)CCCc1ccc(C)cc1 ZINC000044269103 344999724 /nfs/dbraw/zinc/99/97/24/344999724.db2.gz TXZHWQMJZJOGMB-UHFFFAOYSA-N 0 0 247.382 3.623 20 0 BHADRN FC(F)(F)c1cccc(NC2CCCCC2)n1 ZINC000044271173 386720644 /nfs/dbraw/zinc/72/06/44/386720644.db2.gz IIDITOLQAHXETP-UHFFFAOYSA-N 0 0 244.260 3.845 20 0 BHADRN CCC(CC)Nc1cccc(C(F)(F)F)n1 ZINC000044271191 168394455 /nfs/dbraw/zinc/39/44/55/168394455.db2.gz OZDJBHBKLACBFS-UHFFFAOYSA-N 0 0 232.249 3.701 20 0 BHADRN CCC[C@@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000044271213 398338339 /nfs/dbraw/zinc/33/83/39/398338339.db2.gz FDTJRDUKIVDBKE-MRVPVSSYSA-N 0 0 232.249 3.701 20 0 BHADRN CCC[C@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000044271215 398338457 /nfs/dbraw/zinc/33/84/57/398338457.db2.gz FDTJRDUKIVDBKE-QMMMGPOBSA-N 0 0 232.249 3.701 20 0 BHADRN CCCCCNc1cccc(C(F)(F)F)n1 ZINC000044271233 352651894 /nfs/dbraw/zinc/65/18/94/352651894.db2.gz TYHMGTUEALHKIQ-UHFFFAOYSA-N 0 0 232.249 3.703 20 0 BHADRN CC(C)CCNc1cccc(C(F)(F)F)n1 ZINC000044271239 166867590 /nfs/dbraw/zinc/86/75/90/166867590.db2.gz YJTWMAYANYAJTF-UHFFFAOYSA-N 0 0 232.249 3.558 20 0 BHADRN FC(F)(F)c1cccc(NCC2CCCC2)n1 ZINC000044271340 384652292 /nfs/dbraw/zinc/65/22/92/384652292.db2.gz BJTVGZDTGHWTCT-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN CC(C)CCCNc1cccc(C(F)(F)F)n1 ZINC000044271576 322840368 /nfs/dbraw/zinc/84/03/68/322840368.db2.gz XAYOAUGJOZQCPD-UHFFFAOYSA-N 0 0 246.276 3.949 20 0 BHADRN CC(C)(C)CNc1cccc(C(F)(F)F)n1 ZINC000044271594 322840414 /nfs/dbraw/zinc/84/04/14/322840414.db2.gz JSPKHRLRLKTUDH-UHFFFAOYSA-N 0 0 232.249 3.558 20 0 BHADRN CCC[C@@H](C)NC(=O)CCCc1ccc(C)cc1 ZINC000044277964 345005876 /nfs/dbraw/zinc/00/58/76/345005876.db2.gz IPBLUWIUXZTVNP-CQSZACIVSA-N 0 0 247.382 3.623 20 0 BHADRN CCC[C@H](C)NC(=O)CCCc1ccc(C)cc1 ZINC000044277965 345005678 /nfs/dbraw/zinc/00/56/78/345005678.db2.gz IPBLUWIUXZTVNP-AWEZNQCLSA-N 0 0 247.382 3.623 20 0 BHADRN CCC(C)(C)NC(=O)CCCc1ccc(C)cc1 ZINC000044278349 368415405 /nfs/dbraw/zinc/41/54/05/368415405.db2.gz PEQIBUCHDBILNC-UHFFFAOYSA-N 0 0 247.382 3.623 20 0 BHADRN C[C@@H](CCc1ccccc1)Nc1ccccn1 ZINC000044285717 343497167 /nfs/dbraw/zinc/49/71/67/343497167.db2.gz ULJNRDPEXQDGHU-ZDUSSCGKSA-N 0 0 226.323 3.515 20 0 BHADRN C[C@H](CCc1ccccc1)Nc1ccccn1 ZINC000044285721 343497108 /nfs/dbraw/zinc/49/71/08/343497108.db2.gz ULJNRDPEXQDGHU-CYBMUJFWSA-N 0 0 226.323 3.515 20 0 BHADRN C[C@@H](CCc1ccccc1)Nc1nccs1 ZINC000044289507 641595643 /nfs/dbraw/zinc/59/56/43/641595643.db2.gz YIEZWEDTDAMKHT-NSHDSACASA-N 0 0 232.352 3.576 20 0 BHADRN C[C@H](CCc1ccccc1)Nc1nccs1 ZINC000044289511 641594473 /nfs/dbraw/zinc/59/44/73/641594473.db2.gz YIEZWEDTDAMKHT-LLVKDONJSA-N 0 0 232.352 3.576 20 0 BHADRN CC[C@H](NCc1cc(C)on1)c1ccc(C)cc1 ZINC000044296386 322841140 /nfs/dbraw/zinc/84/11/40/322841140.db2.gz NPLSGOHHTVGESL-HNNXBMFYSA-N 0 0 244.338 3.532 20 0 BHADRN CC[C@@H](NCc1cc(C)on1)c1ccc(C)cc1 ZINC000044296391 384655382 /nfs/dbraw/zinc/65/53/82/384655382.db2.gz NPLSGOHHTVGESL-OAHLLOKOSA-N 0 0 244.338 3.532 20 0 BHADRN CCC[C@H](NCc1cc(C)on1)c1ccccc1 ZINC000044296634 343497679 /nfs/dbraw/zinc/49/76/79/343497679.db2.gz LECRLQWQCNWOPL-HNNXBMFYSA-N 0 0 244.338 3.614 20 0 BHADRN CCC[C@@H](NCc1cc(C)on1)c1ccccc1 ZINC000044296639 169402026 /nfs/dbraw/zinc/40/20/26/169402026.db2.gz LECRLQWQCNWOPL-OAHLLOKOSA-N 0 0 244.338 3.614 20 0 BHADRN CC(C)Sc1ncc(-c2ccccc2)n1C ZINC000044322490 641596986 /nfs/dbraw/zinc/59/69/86/641596986.db2.gz GRYQMUUDRNHJJN-UHFFFAOYSA-N 0 0 232.352 3.588 20 0 BHADRN CC(C)c1ccc(NC(=S)NCC2CC2)cc1 ZINC000044348814 640221045 /nfs/dbraw/zinc/22/10/45/640221045.db2.gz PVPGKWJOJBRXSC-UHFFFAOYSA-N 0 0 248.395 3.506 20 0 BHADRN CC1(C)C[C@@H]1Nc1nccc2sccc21 ZINC000044367679 345039902 /nfs/dbraw/zinc/03/99/02/345039902.db2.gz UPJILWLTBAKSAK-JTQLQIEISA-N 0 0 218.325 3.507 20 0 BHADRN CC1(C)C[C@H]1Nc1nccc2sccc21 ZINC000044367684 345039874 /nfs/dbraw/zinc/03/98/74/345039874.db2.gz UPJILWLTBAKSAK-SNVBAGLBSA-N 0 0 218.325 3.507 20 0 BHADRN CC1(C)C[C@@H]1Nc1nc2ccccc2s1 ZINC000044368153 167989730 /nfs/dbraw/zinc/98/97/30/167989730.db2.gz OHMLKBIWILMXDC-JTQLQIEISA-N 0 0 218.325 3.507 20 0 BHADRN CC1(C)C[C@H]1Nc1nc2ccccc2s1 ZINC000044368158 344540032 /nfs/dbraw/zinc/54/00/32/344540032.db2.gz OHMLKBIWILMXDC-SNVBAGLBSA-N 0 0 218.325 3.507 20 0 BHADRN Cc1sc2ncnc(N[C@@H]3CC3(C)C)c2c1C ZINC000044368317 180560072 /nfs/dbraw/zinc/56/00/72/180560072.db2.gz OINRUOBDDZRWNT-SECBINFHSA-N 0 0 247.367 3.519 20 0 BHADRN Cc1sc2ncnc(N[C@H]3CC3(C)C)c2c1C ZINC000044368322 358548240 /nfs/dbraw/zinc/54/82/40/358548240.db2.gz OINRUOBDDZRWNT-VIFPVBQESA-N 0 0 247.367 3.519 20 0 BHADRN CC1(C)C[C@@H]1Nc1ncc(Cl)cc1Cl ZINC000044368385 358547954 /nfs/dbraw/zinc/54/79/54/358547954.db2.gz XGQNJKCJIBQKHJ-QMMMGPOBSA-N 0 0 231.126 3.599 20 0 BHADRN CC1(C)C[C@H]1Nc1ncc(Cl)cc1Cl ZINC000044368390 387680924 /nfs/dbraw/zinc/68/09/24/387680924.db2.gz XGQNJKCJIBQKHJ-MRVPVSSYSA-N 0 0 231.126 3.599 20 0 BHADRN C[C@@H](CCc1ccccc1)Nc1cccc(F)n1 ZINC000044381536 175686430 /nfs/dbraw/zinc/68/64/30/175686430.db2.gz IHDBXXGEWDIVIZ-LBPRGKRZSA-N 0 0 244.313 3.654 20 0 BHADRN C[C@H](CCc1ccccc1)Nc1cccc(F)n1 ZINC000044381541 176641045 /nfs/dbraw/zinc/64/10/45/176641045.db2.gz IHDBXXGEWDIVIZ-GFCCVEGCSA-N 0 0 244.313 3.654 20 0 BHADRN CC(C)c1ccc(CNc2nccs2)cc1 ZINC000044381898 641598779 /nfs/dbraw/zinc/59/87/79/641598779.db2.gz BZSWAFGBYONLTE-UHFFFAOYSA-N 0 0 232.352 3.879 20 0 BHADRN CC(C)c1ccc(CNc2cccc(F)n2)cc1 ZINC000044381984 167599282 /nfs/dbraw/zinc/59/92/82/167599282.db2.gz MYNFVMAGWCKODJ-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN CC(C)c1ccc(CNCc2cscn2)cc1 ZINC000044389795 322841833 /nfs/dbraw/zinc/84/18/33/322841833.db2.gz ZBQDGZHXLJADML-UHFFFAOYSA-N 0 0 246.379 3.556 20 0 BHADRN Cc1cccc(CNC(=O)CCC2CCCC2)c1 ZINC000044407789 350358960 /nfs/dbraw/zinc/35/89/60/350358960.db2.gz ZIYNUCNKMDGJMP-UHFFFAOYSA-N 0 0 245.366 3.582 20 0 BHADRN Cc1cccc(CNC(=O)CC2CCCCC2)c1 ZINC000044407940 643637688 /nfs/dbraw/zinc/63/76/88/643637688.db2.gz FDZGCLOCSNZCNU-UHFFFAOYSA-N 0 0 245.366 3.582 20 0 BHADRN Cc1c(F)cccc1NCCOc1ccccc1 ZINC000044421501 384658357 /nfs/dbraw/zinc/65/83/57/384658357.db2.gz CMDZVIPQICJVLG-UHFFFAOYSA-N 0 0 245.297 3.625 20 0 BHADRN CCC(CC)C(=O)Nc1cccc2ncccc21 ZINC000044443047 411136729 /nfs/dbraw/zinc/13/67/29/411136729.db2.gz DHEPUFCXKCNVHG-UHFFFAOYSA-N 0 0 242.322 3.610 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000044443080 345068923 /nfs/dbraw/zinc/06/89/23/345068923.db2.gz WXSBZOQXXPOQFP-OAHLLOKOSA-N 0 0 245.366 3.616 20 0 BHADRN CCCC(CCC)C(=O)Nc1cc(C)ns1 ZINC000044453965 386745001 /nfs/dbraw/zinc/74/50/01/386745001.db2.gz PCCHWPCJTCILMZ-UHFFFAOYSA-N 0 0 240.372 3.606 20 0 BHADRN Cc1cccc(N[C@@H](C)CCc2ccccc2)n1 ZINC000044482787 179153771 /nfs/dbraw/zinc/15/37/71/179153771.db2.gz YZMSLVWKFJNKQU-AWEZNQCLSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1cccc(N[C@H](C)CCc2ccccc2)n1 ZINC000044482788 179156668 /nfs/dbraw/zinc/15/66/68/179156668.db2.gz YZMSLVWKFJNKQU-CQSZACIVSA-N 0 0 240.350 3.823 20 0 BHADRN C[C@@H](CCc1ccccc1)Nc1ccc(F)cn1 ZINC000044482801 322841262 /nfs/dbraw/zinc/84/12/62/322841262.db2.gz URXJHIKDNWTPCG-LBPRGKRZSA-N 0 0 244.313 3.654 20 0 BHADRN C[C@H](CCc1ccccc1)Nc1ccc(F)cn1 ZINC000044482802 322841160 /nfs/dbraw/zinc/84/11/60/322841160.db2.gz URXJHIKDNWTPCG-GFCCVEGCSA-N 0 0 244.313 3.654 20 0 BHADRN Cc1ccnc(N[C@@H](C)CCc2ccccc2)c1 ZINC000044482811 386724532 /nfs/dbraw/zinc/72/45/32/386724532.db2.gz RTSOMXVWHKUCRP-AWEZNQCLSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1ccnc(N[C@H](C)CCc2ccccc2)c1 ZINC000044482812 386724355 /nfs/dbraw/zinc/72/43/55/386724355.db2.gz RTSOMXVWHKUCRP-CQSZACIVSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1ccc(N[C@@H](C)CCc2ccccc2)nc1 ZINC000044482833 322841269 /nfs/dbraw/zinc/84/12/69/322841269.db2.gz MCEWHAZLZHXESY-AWEZNQCLSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1ccc(N[C@H](C)CCc2ccccc2)nc1 ZINC000044482834 384654343 /nfs/dbraw/zinc/65/43/43/384654343.db2.gz MCEWHAZLZHXESY-CQSZACIVSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)c1cnn(C)c1 ZINC000044494197 178664292 /nfs/dbraw/zinc/66/42/92/178664292.db2.gz NKFSANUNHSYFEI-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)c1cnn(C)c1 ZINC000044494198 343503015 /nfs/dbraw/zinc/50/30/15/343503015.db2.gz NKFSANUNHSYFEI-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CCn1cc([C@@H](C)Nc2ccc(C)cc2C)cn1 ZINC000044494219 172195272 /nfs/dbraw/zinc/19/52/72/172195272.db2.gz NCNUGWZNUDCCCJ-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc([C@H](C)Nc2ccc(C)cc2C)cn1 ZINC000044494220 172198985 /nfs/dbraw/zinc/19/89/85/172198985.db2.gz NCNUGWZNUDCCCJ-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cnn(C)c2)cc1Cl ZINC000044494309 343502909 /nfs/dbraw/zinc/50/29/09/343502909.db2.gz IWWHSZSISFSFIM-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@H](C)c2cnn(C)c2)cc1Cl ZINC000044494310 343503303 /nfs/dbraw/zinc/50/33/03/343503303.db2.gz IWWHSZSISFSFIM-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)c1cnn(C)c1 ZINC000044494403 343503338 /nfs/dbraw/zinc/50/33/38/343503338.db2.gz CTFCOJVMDGOCMJ-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)c1cnn(C)c1 ZINC000044494404 343503101 /nfs/dbraw/zinc/50/31/01/343503101.db2.gz CTFCOJVMDGOCMJ-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2cnn(C)c2)cc1 ZINC000044494541 343503091 /nfs/dbraw/zinc/50/30/91/343503091.db2.gz GSMOKDDDDSMQRN-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2cnn(C)c2)cc1 ZINC000044494542 167606308 /nfs/dbraw/zinc/60/63/08/167606308.db2.gz GSMOKDDDDSMQRN-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN CCn1cc([C@@H](C)Nc2cccc(Cl)c2)cn1 ZINC000044494657 172194894 /nfs/dbraw/zinc/19/48/94/172194894.db2.gz BBXQCGCFJCCMJE-SNVBAGLBSA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc([C@H](C)Nc2cccc(Cl)c2)cn1 ZINC000044494658 172198863 /nfs/dbraw/zinc/19/88/63/172198863.db2.gz BBXQCGCFJCCMJE-JTQLQIEISA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc([C@@H](C)Nc2ccc(Cl)cc2)cn1 ZINC000044494665 172194935 /nfs/dbraw/zinc/19/49/35/172194935.db2.gz SITRPLXFGRKRFM-SNVBAGLBSA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc([C@H](C)Nc2ccc(Cl)cc2)cn1 ZINC000044494666 172198904 /nfs/dbraw/zinc/19/89/04/172198904.db2.gz SITRPLXFGRKRFM-JTQLQIEISA-N 0 0 249.745 3.730 20 0 BHADRN CCn1cc([C@@H](C)Nc2cc(F)ccc2C)cn1 ZINC000044494745 172194366 /nfs/dbraw/zinc/19/43/66/172194366.db2.gz CAXBLCYCBFNVGL-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1cc([C@H](C)Nc2cc(F)ccc2C)cn1 ZINC000044494746 172199320 /nfs/dbraw/zinc/19/93/20/172199320.db2.gz CAXBLCYCBFNVGL-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCc1ccc(N[C@@H](C)c2cnn(CC)c2)cc1 ZINC000044494753 384336866 /nfs/dbraw/zinc/33/68/66/384336866.db2.gz CUYMKMGHBWNGQS-LBPRGKRZSA-N 0 0 243.354 3.639 20 0 BHADRN CCc1ccc(N[C@H](C)c2cnn(CC)c2)cc1 ZINC000044494754 384336122 /nfs/dbraw/zinc/33/61/22/384336122.db2.gz CUYMKMGHBWNGQS-GFCCVEGCSA-N 0 0 243.354 3.639 20 0 BHADRN CCn1cc([C@@H](C)Nc2ccc(C)c(F)c2)cn1 ZINC000044494757 172193820 /nfs/dbraw/zinc/19/38/20/172193820.db2.gz BEXZBBQCMLNRLD-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1cc([C@H](C)Nc2ccc(C)c(F)c2)cn1 ZINC000044494758 172198959 /nfs/dbraw/zinc/19/89/59/172198959.db2.gz BEXZBBQCMLNRLD-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCc1ccccc1N[C@@H](C)c1cnn(CC)c1 ZINC000044494761 384336463 /nfs/dbraw/zinc/33/64/63/384336463.db2.gz SZRCWQSDOFLUQI-LBPRGKRZSA-N 0 0 243.354 3.639 20 0 BHADRN CCc1ccccc1N[C@H](C)c1cnn(CC)c1 ZINC000044494762 384335988 /nfs/dbraw/zinc/33/59/88/384335988.db2.gz SZRCWQSDOFLUQI-GFCCVEGCSA-N 0 0 243.354 3.639 20 0 BHADRN CCn1cc([C@@H](C)Nc2ccc(F)cc2C)cn1 ZINC000044494779 172195161 /nfs/dbraw/zinc/19/51/61/172195161.db2.gz LSEWPDBVMQSLBZ-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1cc([C@H](C)Nc2ccc(F)cc2C)cn1 ZINC000044494780 172199368 /nfs/dbraw/zinc/19/93/68/172199368.db2.gz LSEWPDBVMQSLBZ-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCc1cccc(N[C@@H](C)c2cnn(CC)c2)c1 ZINC000044494787 384335094 /nfs/dbraw/zinc/33/50/94/384335094.db2.gz HCESWJIUNFXKHW-LBPRGKRZSA-N 0 0 243.354 3.639 20 0 BHADRN CCc1cccc(N[C@H](C)c2cnn(CC)c2)c1 ZINC000044494788 171863300 /nfs/dbraw/zinc/86/33/00/171863300.db2.gz HCESWJIUNFXKHW-GFCCVEGCSA-N 0 0 243.354 3.639 20 0 BHADRN CCn1cc([C@@H](C)Nc2cccc(C)c2C)cn1 ZINC000044494819 172194017 /nfs/dbraw/zinc/19/40/17/172194017.db2.gz RTIPDISQNBNQQI-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc([C@H](C)Nc2cccc(C)c2C)cn1 ZINC000044494820 172198692 /nfs/dbraw/zinc/19/86/92/172198692.db2.gz RTIPDISQNBNQQI-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc([C@@H](C)Nc2cc(C)ccc2C)cn1 ZINC000044494827 172194564 /nfs/dbraw/zinc/19/45/64/172194564.db2.gz FBNUFXSSWTVUJP-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc([C@H](C)Nc2cc(C)ccc2C)cn1 ZINC000044494828 172199567 /nfs/dbraw/zinc/19/95/67/172199567.db2.gz FBNUFXSSWTVUJP-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H](C)c1cnn(C)c1 ZINC000044494887 178069344 /nfs/dbraw/zinc/06/93/44/178069344.db2.gz DYPQITSDMAGIIO-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H](C)c1cnn(C)c1 ZINC000044494888 178068803 /nfs/dbraw/zinc/06/88/03/178068803.db2.gz DYPQITSDMAGIIO-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC(C)c1cccc(N[C@@H](C)c2cnn(C)c2)c1 ZINC000044495234 343503660 /nfs/dbraw/zinc/50/36/60/343503660.db2.gz ZAUZKSZCVKRGAU-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1cccc(N[C@H](C)c2cnn(C)c2)c1 ZINC000044495235 343503843 /nfs/dbraw/zinc/50/38/43/343503843.db2.gz ZAUZKSZCVKRGAU-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN CCn1cc([C@@H](C)Nc2ccc(C)cc2F)cn1 ZINC000044495616 172194838 /nfs/dbraw/zinc/19/48/38/172194838.db2.gz DMJOSMAGVTZDKT-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1cc([C@H](C)Nc2ccc(C)cc2F)cn1 ZINC000044495617 172199461 /nfs/dbraw/zinc/19/94/61/172199461.db2.gz DMJOSMAGVTZDKT-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cnn(C)c2)c(Cl)c1 ZINC000044495634 343503896 /nfs/dbraw/zinc/50/38/96/343503896.db2.gz MSNQNZLHVIJKAQ-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@H](C)c2cnn(C)c2)c(Cl)c1 ZINC000044495635 343503872 /nfs/dbraw/zinc/50/38/72/343503872.db2.gz MSNQNZLHVIJKAQ-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CCn1cc([C@@H](C)Nc2cc(C)ccc2F)cn1 ZINC000044495643 172194194 /nfs/dbraw/zinc/19/41/94/172194194.db2.gz BKFJWDBTAYDFSP-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1cc([C@H](C)Nc2cc(C)ccc2F)cn1 ZINC000044495644 172198837 /nfs/dbraw/zinc/19/88/37/172198837.db2.gz BKFJWDBTAYDFSP-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCn1cc([C@@H](C)Nc2cccc(F)c2C)cn1 ZINC000044500715 172195253 /nfs/dbraw/zinc/19/52/53/172195253.db2.gz UIGCWSALYWFJBH-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1cc([C@H](C)Nc2cccc(F)c2C)cn1 ZINC000044500717 172198963 /nfs/dbraw/zinc/19/89/63/172198963.db2.gz UIGCWSALYWFJBH-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCCCC[C@@H](C)NC(=O)Cc1ccccc1C ZINC000044512770 640398663 /nfs/dbraw/zinc/39/86/63/640398663.db2.gz GAPLEFPZSWASRA-CQSZACIVSA-N 0 0 247.382 3.623 20 0 BHADRN CCCCC[C@H](C)NC(=O)Cc1ccccc1C ZINC000044512772 640399609 /nfs/dbraw/zinc/39/96/09/640399609.db2.gz GAPLEFPZSWASRA-AWEZNQCLSA-N 0 0 247.382 3.623 20 0 BHADRN CCCCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000044565770 640437077 /nfs/dbraw/zinc/43/70/77/640437077.db2.gz XPOXQWQOWNHUOT-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN CCc1ccccc1NC(=O)CCC(C)C ZINC000044568038 188124052 /nfs/dbraw/zinc/12/40/52/188124052.db2.gz BZXSDDFLBWZYTP-UHFFFAOYSA-N 0 0 219.328 3.624 20 0 BHADRN O=C(NCCCC1CCCC1)c1ccccc1F ZINC000044633013 323822411 /nfs/dbraw/zinc/82/24/11/323822411.db2.gz LHPDEVFNNBNMKQ-UHFFFAOYSA-N 0 0 249.329 3.526 20 0 BHADRN O=C(NCCCC1CCCC1)C1CCCCC1 ZINC000044633017 411139007 /nfs/dbraw/zinc/13/90/07/411139007.db2.gz OEKBLWMQAVAEMU-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCCCCC(=O)NCCCC1CCCC1 ZINC000044633018 342691509 /nfs/dbraw/zinc/69/15/09/342691509.db2.gz JKBLSVCIKWISRS-UHFFFAOYSA-N 0 0 225.376 3.653 20 0 BHADRN Cc1ccccc1C(=O)NCCCC1CCCC1 ZINC000044633019 411138970 /nfs/dbraw/zinc/13/89/70/411138970.db2.gz YUBHUUUEYMTRTE-UHFFFAOYSA-N 0 0 245.366 3.695 20 0 BHADRN CC(C)(C)CC(=O)NCCCC1CCCC1 ZINC000044633023 411138849 /nfs/dbraw/zinc/13/88/49/411138849.db2.gz VMYRTSBIIWRMIY-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CC(C)CCC(=O)NCCCC1CCCC1 ZINC000044633053 411139021 /nfs/dbraw/zinc/13/90/21/411139021.db2.gz FXJISDJGDVPTJM-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC[C@@H](C)C(=O)NCCCC1CCCC1 ZINC000044633116 323822372 /nfs/dbraw/zinc/82/23/72/323822372.db2.gz NJQVPJFTIMTRFF-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCC[C@H](C)C(=O)NCCCC1CCCC1 ZINC000044633117 323822470 /nfs/dbraw/zinc/82/24/70/323822470.db2.gz NJQVPJFTIMTRFF-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN Cc1ccccc1C[N@H+](Cc1ccco1)C1CC1 ZINC000044648827 343511133 /nfs/dbraw/zinc/51/11/33/343511133.db2.gz LJSPVWLRJWCUCZ-UHFFFAOYSA-N 0 0 241.334 3.753 20 0 BHADRN S=C(NCCC1CCCC1)Nc1ccccc1 ZINC000044665180 643546985 /nfs/dbraw/zinc/54/69/85/643546985.db2.gz FJKYCOCSMMKFSK-UHFFFAOYSA-N 0 0 248.395 3.553 20 0 BHADRN CCCC(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000044671200 411139472 /nfs/dbraw/zinc/13/94/72/411139472.db2.gz HTRQGHDMSJDSNM-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN Cc1cc(F)ccc1NC(=O)CCC(C)C ZINC000044673436 178088786 /nfs/dbraw/zinc/08/87/86/178088786.db2.gz UPIBDCTWFOOLON-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CCCC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000044704418 368422178 /nfs/dbraw/zinc/42/21/78/368422178.db2.gz QILZEPYRPIYYQB-UHFFFAOYSA-N 0 0 247.338 3.747 20 0 BHADRN CC(C)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000044704485 387939946 /nfs/dbraw/zinc/93/99/46/387939946.db2.gz STLDRPFMCFNVOO-UHFFFAOYSA-N 0 0 247.338 3.603 20 0 BHADRN Cc1ccc(C)c(C(=O)NCCC2CCCC2)c1 ZINC000044705223 368422171 /nfs/dbraw/zinc/42/21/71/368422171.db2.gz TWRBGRHIEMOIBA-UHFFFAOYSA-N 0 0 245.366 3.614 20 0 BHADRN O=C(CCC1CCCC1)NCCC1CCCC1 ZINC000044705230 368422536 /nfs/dbraw/zinc/42/25/36/368422536.db2.gz OWLVOEBMXCWLCQ-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN Cc1cccc(C(=O)NCCC2CCCC2)c1C ZINC000044705237 368422089 /nfs/dbraw/zinc/42/20/89/368422089.db2.gz NZOUZPHJSYMOMF-UHFFFAOYSA-N 0 0 245.366 3.614 20 0 BHADRN Cc1ccc(C(=O)NCCC2CCCC2)c(C)c1 ZINC000044705242 368422187 /nfs/dbraw/zinc/42/21/87/368422187.db2.gz NBSBDHOTWDWDNO-UHFFFAOYSA-N 0 0 245.366 3.614 20 0 BHADRN O=C(CC1CCCCC1)NCCC1CCCC1 ZINC000044705476 342714234 /nfs/dbraw/zinc/71/42/34/342714234.db2.gz DDQZVYAQRAYJDW-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCCCCC(=O)N(C)CC1CCCCC1 ZINC000044710749 323826291 /nfs/dbraw/zinc/82/62/91/323826291.db2.gz OWPUASHNMZVTGW-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN Cc1oc(C)c(C(=O)NCCC2CCCC2)c1C ZINC000044711566 411139670 /nfs/dbraw/zinc/13/96/70/411139670.db2.gz VDJBYHNGJLPVEG-UHFFFAOYSA-N 0 0 249.354 3.515 20 0 BHADRN CC(C)Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000044715057 411139723 /nfs/dbraw/zinc/13/97/23/411139723.db2.gz RAVVRLGOOFKGKN-UHFFFAOYSA-N 0 0 245.366 3.511 20 0 BHADRN Cc1ccc(CN[C@@H](C)c2cc(C)oc2C)o1 ZINC000044729306 358553116 /nfs/dbraw/zinc/55/31/16/358553116.db2.gz OCIJRMXFVLJSQZ-NSHDSACASA-N 0 0 233.311 3.649 20 0 BHADRN Cc1ccc(CN[C@H](C)c2cc(C)oc2C)o1 ZINC000044729307 358553206 /nfs/dbraw/zinc/55/32/06/358553206.db2.gz OCIJRMXFVLJSQZ-LLVKDONJSA-N 0 0 233.311 3.649 20 0 BHADRN Cc1cc([C@@H](C)Nc2ccc(F)cn2)c(C)o1 ZINC000044730807 178234895 /nfs/dbraw/zinc/23/48/95/178234895.db2.gz DMEXVMQWXLYYJO-SECBINFHSA-N 0 0 234.274 3.604 20 0 BHADRN Cc1cc([C@H](C)Nc2ccc(F)cn2)c(C)o1 ZINC000044730808 178259381 /nfs/dbraw/zinc/25/93/81/178259381.db2.gz DMEXVMQWXLYYJO-VIFPVBQESA-N 0 0 234.274 3.604 20 0 BHADRN Cc1cc([C@H](C)Nc2cccc(C)n2)c(C)o1 ZINC000044730879 179152863 /nfs/dbraw/zinc/15/28/63/179152863.db2.gz WYMOLKYMSLLNAF-NSHDSACASA-N 0 0 230.311 3.773 20 0 BHADRN Cc1cc([C@@H](C)Nc2cccc(C)n2)c(C)o1 ZINC000044730880 179156013 /nfs/dbraw/zinc/15/60/13/179156013.db2.gz WYMOLKYMSLLNAF-LLVKDONJSA-N 0 0 230.311 3.773 20 0 BHADRN CC(C)(C)c1csc(-c2ccccc2N)n1 ZINC000044732299 358393178 /nfs/dbraw/zinc/39/31/78/358393178.db2.gz ZVPDDLHZRKISLE-UHFFFAOYSA-N 0 0 232.352 3.690 20 0 BHADRN CC(C)c1csc(-c2ccccc2N)n1 ZINC000044732303 385226481 /nfs/dbraw/zinc/22/64/81/385226481.db2.gz YZZXXAMXZQPIDO-UHFFFAOYSA-N 0 0 218.325 3.516 20 0 BHADRN CC[C@@H](C)c1csc(-c2ccccc2N)n1 ZINC000044732308 387942766 /nfs/dbraw/zinc/94/27/66/387942766.db2.gz IJBLBSJTMFKJEN-SECBINFHSA-N 0 0 232.352 3.906 20 0 BHADRN CC[C@H](C)c1csc(-c2ccccc2N)n1 ZINC000044732309 323826929 /nfs/dbraw/zinc/82/69/29/323826929.db2.gz IJBLBSJTMFKJEN-VIFPVBQESA-N 0 0 232.352 3.906 20 0 BHADRN CC(C)=CCOc1ccc2c(c1)CCCC2=O ZINC000044745830 384662034 /nfs/dbraw/zinc/66/20/34/384662034.db2.gz IECQLHPNMJNZHY-UHFFFAOYSA-N 0 0 230.307 3.551 20 0 BHADRN CCCCCOc1ccc2c(c1)CCCC2=O ZINC000044745873 322843274 /nfs/dbraw/zinc/84/32/74/322843274.db2.gz SFWKJLBSNQEIPD-UHFFFAOYSA-N 0 0 232.323 3.775 20 0 BHADRN CC(C)CCOc1ccc2c(c1)CCCC2=O ZINC000044745890 384662944 /nfs/dbraw/zinc/66/29/44/384662944.db2.gz NDQUTZWUIQXDRI-UHFFFAOYSA-N 0 0 232.323 3.631 20 0 BHADRN O=C1CCCc2cc(OC3CCCC3)ccc21 ZINC000044745891 384663151 /nfs/dbraw/zinc/66/31/51/384663151.db2.gz WPWJORNPQKLBQH-UHFFFAOYSA-N 0 0 230.307 3.527 20 0 BHADRN O=C1CCCc2cc(OCC3CCCC3)ccc21 ZINC000044745981 322843470 /nfs/dbraw/zinc/84/34/70/322843470.db2.gz UFYIRWLCYZQBEQ-UHFFFAOYSA-N 0 0 244.334 3.775 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000044816659 411141083 /nfs/dbraw/zinc/14/10/83/411141083.db2.gz IDMGCUANOHSVCY-LLVKDONJSA-N 0 0 242.322 3.610 20 0 BHADRN CCC[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000044816661 411141171 /nfs/dbraw/zinc/14/11/71/411141171.db2.gz IDMGCUANOHSVCY-NSHDSACASA-N 0 0 242.322 3.610 20 0 BHADRN CC(C)CCN(C(=O)C1CCCCC1)C1CC1 ZINC000044892031 411141797 /nfs/dbraw/zinc/14/17/97/411141797.db2.gz QDZJRFTUCKQNAF-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccccc1C(=O)N(CCC(C)C)C1CC1 ZINC000044892066 411141736 /nfs/dbraw/zinc/14/17/36/411141736.db2.gz NVPGBVGDEMOABR-UHFFFAOYSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1cccc(C(=O)N(CCC(C)C)C2CC2)c1 ZINC000044892153 411141739 /nfs/dbraw/zinc/14/17/39/411141739.db2.gz XCAXJMRPNBWFCF-UHFFFAOYSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1 ZINC000044897232 411141968 /nfs/dbraw/zinc/14/19/68/411141968.db2.gz WZTGCYONJNXLFN-UHFFFAOYSA-N 0 0 245.366 3.646 20 0 BHADRN Fc1cccc(CN(Cc2ccco2)C2CC2)c1 ZINC000045004703 387957142 /nfs/dbraw/zinc/95/71/42/387957142.db2.gz LAAYXHSTMQQGFA-UHFFFAOYSA-N 0 0 245.297 3.583 20 0 BHADRN Fc1ccccc1CN(Cc1ccco1)C1CC1 ZINC000045004704 387956064 /nfs/dbraw/zinc/95/60/64/387956064.db2.gz VZAUTZJFIGJVNW-UHFFFAOYSA-N 0 0 245.297 3.583 20 0 BHADRN COCC[C@H](C)Nc1cccc2ccccc21 ZINC000045017343 174409471 /nfs/dbraw/zinc/40/94/71/174409471.db2.gz DWMYMGNJRQVCFO-LBPRGKRZSA-N 0 0 229.323 3.677 20 0 BHADRN COCC[C@@H](C)Nc1cccc2ccccc21 ZINC000045017345 174386478 /nfs/dbraw/zinc/38/64/78/174386478.db2.gz DWMYMGNJRQVCFO-GFCCVEGCSA-N 0 0 229.323 3.677 20 0 BHADRN COCC[C@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000045017448 322843983 /nfs/dbraw/zinc/84/39/83/322843983.db2.gz BHMNALNPXHCHEP-VIFPVBQESA-N 0 0 247.260 3.542 20 0 BHADRN COCC[C@@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000045017451 322844065 /nfs/dbraw/zinc/84/40/65/322844065.db2.gz BHMNALNPXHCHEP-SECBINFHSA-N 0 0 247.260 3.542 20 0 BHADRN COCC[C@H](C)Nc1ccc(C(C)(C)C)cc1 ZINC000045017458 384664699 /nfs/dbraw/zinc/66/46/99/384664699.db2.gz SVBHUQQYVUATPK-LBPRGKRZSA-N 0 0 235.371 3.821 20 0 BHADRN COCC[C@@H](C)Nc1ccc(C(C)(C)C)cc1 ZINC000045017460 384665198 /nfs/dbraw/zinc/66/51/98/384665198.db2.gz SVBHUQQYVUATPK-GFCCVEGCSA-N 0 0 235.371 3.821 20 0 BHADRN COCC[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000045017620 384665940 /nfs/dbraw/zinc/66/59/40/384665940.db2.gz CFFXBGSQECZAQH-QMMMGPOBSA-N 0 0 248.153 3.830 20 0 BHADRN COCC[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000045017622 322843973 /nfs/dbraw/zinc/84/39/73/322843973.db2.gz CFFXBGSQECZAQH-MRVPVSSYSA-N 0 0 248.153 3.830 20 0 BHADRN COCC[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000045017637 322843938 /nfs/dbraw/zinc/84/39/38/322843938.db2.gz HBXAQFCLBVTHOG-LBPRGKRZSA-N 0 0 221.344 3.647 20 0 BHADRN COCC[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000045017639 384665451 /nfs/dbraw/zinc/66/54/51/384665451.db2.gz HBXAQFCLBVTHOG-GFCCVEGCSA-N 0 0 221.344 3.647 20 0 BHADRN COCC[C@H](C)Nc1cccc(C(C)C)c1 ZINC000045018463 322844084 /nfs/dbraw/zinc/84/40/84/322844084.db2.gz CLWWVOOKXDQBOY-LBPRGKRZSA-N 0 0 221.344 3.647 20 0 BHADRN COCC[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000045018465 322844077 /nfs/dbraw/zinc/84/40/77/322844077.db2.gz CLWWVOOKXDQBOY-GFCCVEGCSA-N 0 0 221.344 3.647 20 0 BHADRN CCCCc1ccc(N[C@@H](C)CCOC)cc1 ZINC000045018563 322844033 /nfs/dbraw/zinc/84/40/33/322844033.db2.gz XKGWIXUFJAMDIK-ZDUSSCGKSA-N 0 0 235.371 3.866 20 0 BHADRN CCCCc1ccc(N[C@H](C)CCOC)cc1 ZINC000045018565 322844083 /nfs/dbraw/zinc/84/40/83/322844083.db2.gz XKGWIXUFJAMDIK-CYBMUJFWSA-N 0 0 235.371 3.866 20 0 BHADRN COCC[C@H](C)Nc1ccc2ccccc2c1 ZINC000045020306 384369303 /nfs/dbraw/zinc/36/93/03/384369303.db2.gz RFGHFSUEEYPSHA-LBPRGKRZSA-N 0 0 229.323 3.677 20 0 BHADRN COCC[C@@H](C)Nc1ccc2ccccc2c1 ZINC000045020309 174386149 /nfs/dbraw/zinc/38/61/49/174386149.db2.gz RFGHFSUEEYPSHA-GFCCVEGCSA-N 0 0 229.323 3.677 20 0 BHADRN CN(CC1CCCCC1)C(=O)Nc1ccccc1 ZINC000045030985 387960145 /nfs/dbraw/zinc/96/01/45/387960145.db2.gz JLIMKTLZSSCRKX-UHFFFAOYSA-N 0 0 246.354 3.731 20 0 BHADRN Cc1cccc(NC(=O)N(C)[C@@H](C)C(C)(C)C)c1 ZINC000045032907 411143433 /nfs/dbraw/zinc/14/34/33/411143433.db2.gz LDETUMYWJDXFMJ-LBPRGKRZSA-N 0 0 248.370 3.893 20 0 BHADRN Cc1cccc(NC(=O)N(C)[C@H](C)C(C)(C)C)c1 ZINC000045032909 411143304 /nfs/dbraw/zinc/14/33/04/411143304.db2.gz LDETUMYWJDXFMJ-GFCCVEGCSA-N 0 0 248.370 3.893 20 0 BHADRN Cc1cc(NCc2ccc(C(C)C)cc2)ncn1 ZINC000045046113 178171844 /nfs/dbraw/zinc/17/18/44/178171844.db2.gz BCLLKZHGVWOROC-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN CC(C)c1ccc(CNc2ccc(F)cn2)cc1 ZINC000045046122 343011432 /nfs/dbraw/zinc/01/14/32/343011432.db2.gz ZCCDCHXMKZKPTO-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN Cc1ccc(NCc2ccc(C(C)C)cc2)nn1 ZINC000045046124 487803452 /nfs/dbraw/zinc/80/34/52/487803452.db2.gz BTBIVACYYFBKEU-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN CC(=O)c1c(F)cccc1N(C)CC(C)(C)C ZINC000045074322 166434065 /nfs/dbraw/zinc/43/40/65/166434065.db2.gz YYWDRGIDTDCVAM-UHFFFAOYSA-N 0 0 237.318 3.511 20 0 BHADRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCCCC1 ZINC000045081617 387956892 /nfs/dbraw/zinc/95/68/92/387956892.db2.gz ZAJYMCXQWCCWAO-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCCCC1 ZINC000045081619 323833755 /nfs/dbraw/zinc/83/37/55/323833755.db2.gz ZAJYMCXQWCCWAO-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1N(C)C(=O)C1CCCCC1 ZINC000045081621 387956408 /nfs/dbraw/zinc/95/64/08/387956408.db2.gz ZAJYMCXQWCCWAO-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@H]1N(C)C(=O)C1CCCCC1 ZINC000045081623 387956382 /nfs/dbraw/zinc/95/63/82/387956382.db2.gz ZAJYMCXQWCCWAO-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000045081625 387958347 /nfs/dbraw/zinc/95/83/47/387958347.db2.gz ZZKHNDBLWIEZGL-DZGCQCFKSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000045081627 387958206 /nfs/dbraw/zinc/95/82/06/387958206.db2.gz ZZKHNDBLWIEZGL-ZFWWWQNUSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000045081629 387958553 /nfs/dbraw/zinc/95/85/53/387958553.db2.gz ZZKHNDBLWIEZGL-UKRRQHHQSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC000045081631 387958996 /nfs/dbraw/zinc/95/89/96/387958996.db2.gz ZZKHNDBLWIEZGL-HIFRSBDPSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 ZINC000045081855 179005598 /nfs/dbraw/zinc/00/55/98/179005598.db2.gz UZKBUBMNVFEGBV-DZGCQCFKSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 ZINC000045081857 179004878 /nfs/dbraw/zinc/00/48/78/179004878.db2.gz UZKBUBMNVFEGBV-ZFWWWQNUSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 ZINC000045081859 179005569 /nfs/dbraw/zinc/00/55/69/179005569.db2.gz UZKBUBMNVFEGBV-UKRRQHHQSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c1 ZINC000045081861 179005785 /nfs/dbraw/zinc/00/57/85/179005785.db2.gz UZKBUBMNVFEGBV-HIFRSBDPSA-N 0 0 245.366 3.646 20 0 BHADRN CCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000045083063 323834339 /nfs/dbraw/zinc/83/43/39/323834339.db2.gz LQTUHVRNYYCSSL-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000045083065 323834479 /nfs/dbraw/zinc/83/44/79/323834479.db2.gz LQTUHVRNYYCSSL-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000045083067 387960368 /nfs/dbraw/zinc/96/03/68/387960368.db2.gz LQTUHVRNYYCSSL-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000045083069 387960228 /nfs/dbraw/zinc/96/02/28/387960228.db2.gz LQTUHVRNYYCSSL-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN Cl/C=C/CSc1ncccc1Cl ZINC000045104251 635316758 /nfs/dbraw/zinc/31/67/58/635316758.db2.gz HWPVSUFMFCJZNT-DUXPYHPUSA-N 0 0 220.124 3.580 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000045174582 178834604 /nfs/dbraw/zinc/83/46/04/178834604.db2.gz GYKJOLRRPXNFQR-GFCCVEGCSA-N 0 0 233.355 3.608 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000045174584 187433992 /nfs/dbraw/zinc/43/39/92/187433992.db2.gz GYKJOLRRPXNFQR-LBPRGKRZSA-N 0 0 233.355 3.608 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)CCC(C)C)cc1 ZINC000045174914 359726837 /nfs/dbraw/zinc/72/68/37/359726837.db2.gz ITIQPAKBNSYSFU-CYBMUJFWSA-N 0 0 233.355 3.608 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)CCC(C)C)cc1 ZINC000045174917 368425387 /nfs/dbraw/zinc/42/53/87/368425387.db2.gz ITIQPAKBNSYSFU-ZDUSSCGKSA-N 0 0 233.355 3.608 20 0 BHADRN CCCCCC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000045174940 368424879 /nfs/dbraw/zinc/42/48/79/368424879.db2.gz PWCWPUMNVDMPFJ-ZDUSSCGKSA-N 0 0 233.355 3.753 20 0 BHADRN CCCCCC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000045174942 368424934 /nfs/dbraw/zinc/42/49/34/368424934.db2.gz PWCWPUMNVDMPFJ-CYBMUJFWSA-N 0 0 233.355 3.753 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)C[C@H]2C=CCC2)cc1 ZINC000045175018 368425823 /nfs/dbraw/zinc/42/58/23/368425823.db2.gz YSKGJMFAGREGLJ-KGLIPLIRSA-N 0 0 243.350 3.529 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)C[C@H]2C=CCC2)cc1 ZINC000045175020 368425781 /nfs/dbraw/zinc/42/57/81/368425781.db2.gz YSKGJMFAGREGLJ-KBPBESRZSA-N 0 0 243.350 3.529 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000045175022 368425702 /nfs/dbraw/zinc/42/57/02/368425702.db2.gz YSKGJMFAGREGLJ-ZIAGYGMSSA-N 0 0 243.350 3.529 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000045175024 368425563 /nfs/dbraw/zinc/42/55/63/368425563.db2.gz YSKGJMFAGREGLJ-UONOGXRCSA-N 0 0 243.350 3.529 20 0 BHADRN CCCC(=O)N(C)Cc1cccc2ccccc21 ZINC000045186722 409876502 /nfs/dbraw/zinc/87/65/02/409876502.db2.gz KHTSOAQJHPXSFV-UHFFFAOYSA-N 0 0 241.334 3.598 20 0 BHADRN C[C@@H](c1ccccc1F)N(C)C(=O)C1CCCC1 ZINC000045191610 368425426 /nfs/dbraw/zinc/42/54/26/368425426.db2.gz DAWQFWMGMWJRAT-NSHDSACASA-N 0 0 249.329 3.535 20 0 BHADRN C[C@H](c1ccccc1F)N(C)C(=O)C1CCCC1 ZINC000045191613 368425669 /nfs/dbraw/zinc/42/56/69/368425669.db2.gz DAWQFWMGMWJRAT-LLVKDONJSA-N 0 0 249.329 3.535 20 0 BHADRN CCCCC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000045191777 409874332 /nfs/dbraw/zinc/87/43/32/409874332.db2.gz AWXHPUDMCPAPKQ-NSHDSACASA-N 0 0 237.318 3.535 20 0 BHADRN CCCCC(=O)N(C)[C@H](C)c1ccccc1F ZINC000045191780 168609807 /nfs/dbraw/zinc/60/98/07/168609807.db2.gz AWXHPUDMCPAPKQ-LLVKDONJSA-N 0 0 237.318 3.535 20 0 BHADRN CCCCC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000045198559 343525873 /nfs/dbraw/zinc/52/58/73/343525873.db2.gz SKRNGKQNOUHQRE-UHFFFAOYSA-N 0 0 249.329 3.507 20 0 BHADRN CCCC(=O)N(Cc1ccc(CC)cc1)C1CC1 ZINC000045200013 323839378 /nfs/dbraw/zinc/83/93/78/323839378.db2.gz VEVWWRWOEQMJTK-UHFFFAOYSA-N 0 0 245.366 3.540 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC000045204419 411144555 /nfs/dbraw/zinc/14/45/55/411144555.db2.gz JNKYSXVRNHUSOS-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC000045204420 411144529 /nfs/dbraw/zinc/14/45/29/411144529.db2.gz JNKYSXVRNHUSOS-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000045204421 411144561 /nfs/dbraw/zinc/14/45/61/411144561.db2.gz JNKYSXVRNHUSOS-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000045204422 411144525 /nfs/dbraw/zinc/14/45/25/411144525.db2.gz JNKYSXVRNHUSOS-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)CCC2CCCC2)C1 ZINC000045204779 411144508 /nfs/dbraw/zinc/14/45/08/411144508.db2.gz OLGHUEZYLBYBJW-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@H](NC(=O)CCC2CCCC2)C1 ZINC000045204780 411144528 /nfs/dbraw/zinc/14/45/28/411144528.db2.gz OLGHUEZYLBYBJW-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)CCC2CCCC2)C1 ZINC000045204781 411144541 /nfs/dbraw/zinc/14/45/41/411144541.db2.gz OLGHUEZYLBYBJW-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@@H](NC(=O)CCC2CCCC2)C1 ZINC000045204782 411403544 /nfs/dbraw/zinc/40/35/44/411403544.db2.gz OLGHUEZYLBYBJW-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)c(C)c1 ZINC000045204921 411144506 /nfs/dbraw/zinc/14/45/06/411144506.db2.gz RZNKMTKDZRVHHZ-SMDDNHRTSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)c(C)c1 ZINC000045204922 411144510 /nfs/dbraw/zinc/14/45/10/411144510.db2.gz RZNKMTKDZRVHHZ-FZMZJTMJSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)c(C)c1 ZINC000045204923 411144557 /nfs/dbraw/zinc/14/45/57/411144557.db2.gz RZNKMTKDZRVHHZ-BXUZGUMPSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)c(C)c1 ZINC000045204924 411144514 /nfs/dbraw/zinc/14/45/14/411144514.db2.gz RZNKMTKDZRVHHZ-RISCZKNCSA-N 0 0 245.366 3.612 20 0 BHADRN CC(=O)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000045206571 386645748 /nfs/dbraw/zinc/64/57/48/386645748.db2.gz XTUAXQUFBKVYHW-UHFFFAOYSA-N 0 0 237.711 3.666 20 0 BHADRN CC[C@H](NC(=O)C(C)C)c1cccc(Cl)c1 ZINC000045222013 384384005 /nfs/dbraw/zinc/38/40/05/384384005.db2.gz QMVRRHGAZCDUJR-LBPRGKRZSA-N 0 0 239.746 3.563 20 0 BHADRN CC[C@@H](NC(=O)C(C)C)c1cccc(Cl)c1 ZINC000045222018 384382799 /nfs/dbraw/zinc/38/27/99/384382799.db2.gz QMVRRHGAZCDUJR-GFCCVEGCSA-N 0 0 239.746 3.563 20 0 BHADRN CCCC(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000045222032 168556794 /nfs/dbraw/zinc/55/67/94/168556794.db2.gz VFPZVHNLAPEABB-LBPRGKRZSA-N 0 0 239.746 3.707 20 0 BHADRN CCCC(=O)N[C@H](CC)c1cccc(Cl)c1 ZINC000045222036 358560491 /nfs/dbraw/zinc/56/04/91/358560491.db2.gz VFPZVHNLAPEABB-GFCCVEGCSA-N 0 0 239.746 3.707 20 0 BHADRN c1ccc2sc(SCC3CC3)nc2c1 ZINC000045236345 384383247 /nfs/dbraw/zinc/38/32/47/384383247.db2.gz NJNRVJKPFXFDQF-UHFFFAOYSA-N 0 0 221.350 3.798 20 0 BHADRN CCCCN(C)c1nc2ccccc2s1 ZINC000045236926 359728455 /nfs/dbraw/zinc/72/84/55/359728455.db2.gz QEGIZYKWHMSDJO-UHFFFAOYSA-N 0 0 220.341 3.533 20 0 BHADRN CC(C)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000045242807 358560229 /nfs/dbraw/zinc/56/02/29/358560229.db2.gz BLZVXVRASMPTRR-JTQLQIEISA-N 0 0 239.746 3.515 20 0 BHADRN CC(C)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000045242808 358560883 /nfs/dbraw/zinc/56/08/83/358560883.db2.gz BLZVXVRASMPTRR-SNVBAGLBSA-N 0 0 239.746 3.515 20 0 BHADRN CCCC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000045242811 168534556 /nfs/dbraw/zinc/53/45/56/168534556.db2.gz VYACIRCANQTVSX-JTQLQIEISA-N 0 0 239.746 3.660 20 0 BHADRN CCCC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000045242812 168534173 /nfs/dbraw/zinc/53/41/73/168534173.db2.gz VYACIRCANQTVSX-SNVBAGLBSA-N 0 0 239.746 3.660 20 0 BHADRN CC(C)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000045248446 166704719 /nfs/dbraw/zinc/70/47/19/166704719.db2.gz DLRPTKLHKWQJCZ-JTQLQIEISA-N 0 0 239.746 3.515 20 0 BHADRN CC(C)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000045248447 166704266 /nfs/dbraw/zinc/70/42/66/166704266.db2.gz DLRPTKLHKWQJCZ-SNVBAGLBSA-N 0 0 239.746 3.515 20 0 BHADRN CCCC(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000045248450 359729441 /nfs/dbraw/zinc/72/94/41/359729441.db2.gz YRNMVTKDSRKDDS-JTQLQIEISA-N 0 0 239.746 3.660 20 0 BHADRN CCCC(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000045248451 359729718 /nfs/dbraw/zinc/72/97/18/359729718.db2.gz YRNMVTKDSRKDDS-SNVBAGLBSA-N 0 0 239.746 3.660 20 0 BHADRN CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000045261976 344561286 /nfs/dbraw/zinc/56/12/86/344561286.db2.gz NPVYUIODZJCETR-ZETCQYMHSA-N 0 0 246.137 3.533 20 0 BHADRN CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000045261979 344561482 /nfs/dbraw/zinc/56/14/82/344561482.db2.gz NPVYUIODZJCETR-SSDOTTSWSA-N 0 0 246.137 3.533 20 0 BHADRN CC(C)(C)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000045287119 384385685 /nfs/dbraw/zinc/38/56/85/384385685.db2.gz NRWZVLVWFBKPPH-UHFFFAOYSA-N 0 0 246.354 3.612 20 0 BHADRN CCCCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000045294070 487834238 /nfs/dbraw/zinc/83/42/38/487834238.db2.gz 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Cc1ccc([C@H](C)Nc2ccc(F)cn2)s1 ZINC000049184410 636035621 /nfs/dbraw/zinc/03/56/21/636035621.db2.gz IUXPHKAUJWRVLH-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc([C@H](C)Nc2cccc(C)n2)s1 ZINC000049184435 179153103 /nfs/dbraw/zinc/15/31/03/179153103.db2.gz YZTGHMYCWHKWHI-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cccc(C)n2)s1 ZINC000049184436 179156254 /nfs/dbraw/zinc/15/62/54/179156254.db2.gz YZTGHMYCWHKWHI-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN CCCCCN(CCCCC)C(=O)C1CC1 ZINC000049205313 323158846 /nfs/dbraw/zinc/15/88/46/323158846.db2.gz BIJZLWVTSSCUEX-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCCC[C@@H](C)Nc1cc(C)ncn1 ZINC000049217659 168673945 /nfs/dbraw/zinc/67/39/45/168673945.db2.gz IYMFSBBLWVRSFG-LLVKDONJSA-N 0 0 221.348 3.556 20 0 BHADRN CCCCCC[C@H](C)Nc1cc(C)ncn1 ZINC000049217663 353161731 /nfs/dbraw/zinc/16/17/31/353161731.db2.gz IYMFSBBLWVRSFG-NSHDSACASA-N 0 0 221.348 3.556 20 0 BHADRN CCCCCC[C@@H](C)Nc1nccs1 ZINC000049217856 631871515 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BHADRN Cc1ccc(NC(=O)NCCC(C)(C)C)cc1C ZINC000049254258 323159552 /nfs/dbraw/zinc/15/95/52/323159552.db2.gz UVLSHEPZJUVPOJ-UHFFFAOYSA-N 0 0 248.370 3.861 20 0 BHADRN CC(=O)c1ccccc1OCCC(C)(C)C ZINC000049254743 322845788 /nfs/dbraw/zinc/84/57/88/322845788.db2.gz KGHJMLWRMVPGPM-UHFFFAOYSA-N 0 0 220.312 3.704 20 0 BHADRN C[C@H](O)c1ccc(OCCC(C)(C)C)cc1 ZINC000049255146 643615884 /nfs/dbraw/zinc/61/58/84/643615884.db2.gz DSEDLWKOBLWRIM-NSHDSACASA-N 0 0 222.328 3.555 20 0 BHADRN C[C@@H](O)c1ccc(OCCC(C)(C)C)cc1 ZINC000049255149 643617323 /nfs/dbraw/zinc/61/73/23/643617323.db2.gz DSEDLWKOBLWRIM-LLVKDONJSA-N 0 0 222.328 3.555 20 0 BHADRN CC[C@H](O)c1ccc(OCCC(C)(C)C)cc1 ZINC000049255181 643617625 /nfs/dbraw/zinc/61/76/25/643617625.db2.gz BVURSXXHXIGEFL-AWEZNQCLSA-N 0 0 236.355 3.945 20 0 BHADRN CC[C@@H](O)c1ccc(OCCC(C)(C)C)cc1 ZINC000049255184 643616215 /nfs/dbraw/zinc/61/62/15/643616215.db2.gz BVURSXXHXIGEFL-CQSZACIVSA-N 0 0 236.355 3.945 20 0 BHADRN Cc1cc(C)cc(NC(=O)NCCC(C)(C)C)c1 ZINC000049255382 323159485 /nfs/dbraw/zinc/15/94/85/323159485.db2.gz ORNKYISHULTGBU-UHFFFAOYSA-N 0 0 248.370 3.861 20 0 BHADRN c1ccc2oc(NC[C@H]3CC=CCC3)nc2c1 ZINC000049281775 187357830 /nfs/dbraw/zinc/35/78/30/187357830.db2.gz XYXQCFCTJQUOCH-NSHDSACASA-N 0 0 228.295 3.596 20 0 BHADRN c1ccc2oc(NC[C@@H]3CC=CCC3)nc2c1 ZINC000049281777 386603728 /nfs/dbraw/zinc/60/37/28/386603728.db2.gz XYXQCFCTJQUOCH-LLVKDONJSA-N 0 0 228.295 3.596 20 0 BHADRN CCC(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000049345069 323159931 /nfs/dbraw/zinc/15/99/31/323159931.db2.gz APVLJMDIXWASHM-UHFFFAOYSA-N 0 0 248.351 3.768 20 0 BHADRN COc1cc(C)ccc1NC(=O)C1CCCCC1 ZINC000049345967 411231077 /nfs/dbraw/zinc/23/10/77/411231077.db2.gz YAQOGTFRZMWKDR-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN CCNC(=O)Nc1ccccc1-c1cccs1 ZINC000049359321 358684296 /nfs/dbraw/zinc/68/42/96/358684296.db2.gz MKHVHPNRSLGCLP-UHFFFAOYSA-N 0 0 246.335 3.557 20 0 BHADRN Cc1cc(C)cc(C=C2SC(=S)NC2=O)c1 ZINC000049371811 636076693 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/nfs/dbraw/zinc/68/87/32/358688732.db2.gz ZYFZTEAIVKUBOP-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN Cc1cc(C)c(NC(=O)N(C)CC(C)C)c(C)c1 ZINC000049458932 323160839 /nfs/dbraw/zinc/16/08/39/323160839.db2.gz RWFUYJLVQMQBIB-UHFFFAOYSA-N 0 0 248.370 3.732 20 0 BHADRN CC(C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000049479812 358689751 /nfs/dbraw/zinc/68/97/51/358689751.db2.gz VTRAYLJTWMHGDT-CQSZACIVSA-N 0 0 245.366 3.571 20 0 BHADRN CC(C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000049479813 358690095 /nfs/dbraw/zinc/69/00/95/358690095.db2.gz VTRAYLJTWMHGDT-AWEZNQCLSA-N 0 0 245.366 3.571 20 0 BHADRN CCCN(C)C(=O)Nc1cccc2ccccc21 ZINC000049481010 169056851 /nfs/dbraw/zinc/05/68/51/169056851.db2.gz WDULRGSTFHQSRA-UHFFFAOYSA-N 0 0 242.322 3.714 20 0 BHADRN CCC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000049497003 323161588 /nfs/dbraw/zinc/16/15/88/323161588.db2.gz AZYFBDCZQDZRDE-UHFFFAOYSA-N 0 0 246.335 3.522 20 0 BHADRN COCc1cccc(NCCC(C)(C)C)c1 ZINC000049507558 322847516 /nfs/dbraw/zinc/84/75/16/322847516.db2.gz JCLDQKFSUFZMMU-UHFFFAOYSA-N 0 0 221.344 3.681 20 0 BHADRN COCc1ccccc1NCCC(C)(C)C ZINC000049508108 384681112 /nfs/dbraw/zinc/68/11/12/384681112.db2.gz LOFKIFSLUXTUGZ-UHFFFAOYSA-N 0 0 221.344 3.681 20 0 BHADRN Cc1cc([C@H](C)Nc2cc(C)ncn2)c(C)s1 ZINC000049509421 178178805 /nfs/dbraw/zinc/17/88/05/178178805.db2.gz ARKZTULMYHELBY-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cc([C@@H](C)Nc2cc(C)ncn2)c(C)s1 ZINC000049509423 178187586 /nfs/dbraw/zinc/18/75/86/178187586.db2.gz ARKZTULMYHELBY-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cc([C@H](C)Nc2ccc(C)nn2)c(C)s1 ZINC000049509444 487716836 /nfs/dbraw/zinc/71/68/36/487716836.db2.gz KWFVNGRCOLVARE-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cc([C@@H](C)Nc2ccc(C)nn2)c(C)s1 ZINC000049509445 487716971 /nfs/dbraw/zinc/71/69/71/487716971.db2.gz KWFVNGRCOLVARE-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cc(N[C@@H](C)c2ccccc2Cl)ncn1 ZINC000049509529 178178108 /nfs/dbraw/zinc/17/81/08/178178108.db2.gz YXONVPQUGKGBHB-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1cc(N[C@H](C)c2ccccc2Cl)ncn1 ZINC000049509531 178187179 /nfs/dbraw/zinc/18/71/79/178187179.db2.gz YXONVPQUGKGBHB-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(NC(=O)N(C)CC2CCCC2)cc1 ZINC000049516902 323161800 /nfs/dbraw/zinc/16/18/00/323161800.db2.gz PBZBKQQFLGVALO-UHFFFAOYSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1cccc(NC(=O)N(C)CC2CCCC2)c1 ZINC000049516910 323161788 /nfs/dbraw/zinc/16/17/88/323161788.db2.gz DKQCTPMRVCUBDL-UHFFFAOYSA-N 0 0 246.354 3.649 20 0 BHADRN CC(C)(C)OCCSc1ncccc1Cl ZINC000049517407 358693626 /nfs/dbraw/zinc/69/36/26/358693626.db2.gz UPVHRNAPZBMYRG-UHFFFAOYSA-N 0 0 245.775 3.642 20 0 BHADRN CCCCS[C@@H](C)C(=O)Nc1ccccc1 ZINC000049535009 343601366 /nfs/dbraw/zinc/60/13/66/343601366.db2.gz MRIFIPMICIAPDD-NSHDSACASA-N 0 0 237.368 3.547 20 0 BHADRN CCCCS[C@H](C)C(=O)Nc1ccccc1 ZINC000049535010 343601139 /nfs/dbraw/zinc/60/11/39/343601139.db2.gz MRIFIPMICIAPDD-LLVKDONJSA-N 0 0 237.368 3.547 20 0 BHADRN CCCC1CCC(Nc2cc(C)ncn2)CC1 ZINC000049546169 358694544 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0 231.339 3.550 20 0 BHADRN CSc1ccccc1NC(=O)CCC(C)C ZINC000049909559 387790037 /nfs/dbraw/zinc/79/00/37/387790037.db2.gz OWAXQQVVPIBFEQ-UHFFFAOYSA-N 0 0 237.368 3.783 20 0 BHADRN CCCCC(=O)Nc1ccccc1SC ZINC000049909568 168627321 /nfs/dbraw/zinc/62/73/21/168627321.db2.gz WVNNNQMAHFLGFO-UHFFFAOYSA-N 0 0 223.341 3.537 20 0 BHADRN CCCCCC(=O)Nc1ccccc1SC ZINC000049909569 487952295 /nfs/dbraw/zinc/95/22/95/487952295.db2.gz GCMQMWCDMDWHPB-UHFFFAOYSA-N 0 0 237.368 3.927 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccccc1SC ZINC000049909610 487952564 /nfs/dbraw/zinc/95/25/64/487952564.db2.gz MHSOFIKFDQDPBC-SNVBAGLBSA-N 0 0 237.368 3.783 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccccc1SC ZINC000049909611 487952683 /nfs/dbraw/zinc/95/26/83/487952683.db2.gz MHSOFIKFDQDPBC-JTQLQIEISA-N 0 0 237.368 3.783 20 0 BHADRN Cc1ccc(NC(=O)CCC(C)C)c(F)c1 ZINC000049910337 178722451 /nfs/dbraw/zinc/72/24/51/178722451.db2.gz VZFXHAZYJIPJNV-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CCCCCC(=O)Nc1ccc(C)cc1F ZINC000049910344 168641683 /nfs/dbraw/zinc/64/16/83/168641683.db2.gz PVNNAWIKLHVEMU-UHFFFAOYSA-N 0 0 223.291 3.653 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000049910364 343606753 /nfs/dbraw/zinc/60/67/53/343606753.db2.gz BYYYVWGHJAGPIE-SNVBAGLBSA-N 0 0 223.291 3.509 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000049910365 350265984 /nfs/dbraw/zinc/26/59/84/350265984.db2.gz BYYYVWGHJAGPIE-JTQLQIEISA-N 0 0 223.291 3.509 20 0 BHADRN Cc1ccccc1CNc1ncccc1Cl ZINC000049933836 179285778 /nfs/dbraw/zinc/28/57/78/179285778.db2.gz HJOOFAJTUCUUSX-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN CCc1cccc(NC(=O)[C@H]2CC=CCC2)c1 ZINC000049935458 411248973 /nfs/dbraw/zinc/24/89/73/411248973.db2.gz MTXHMTXQPOOBKV-ZDUSSCGKSA-N 0 0 229.323 3.544 20 0 BHADRN CCc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000049935459 411249973 /nfs/dbraw/zinc/24/99/73/411249973.db2.gz MTXHMTXQPOOBKV-CYBMUJFWSA-N 0 0 229.323 3.544 20 0 BHADRN CCc1cccc(NC(=O)CCC(C)C)c1 ZINC000049935468 411160802 /nfs/dbraw/zinc/16/08/02/411160802.db2.gz HJWLJJOTSQWKNN-UHFFFAOYSA-N 0 0 219.328 3.624 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1cccc(CC)c1 ZINC000049935485 350267576 /nfs/dbraw/zinc/26/75/76/350267576.db2.gz ALJGTIQVVHJAFS-LLVKDONJSA-N 0 0 219.328 3.624 20 0 BHADRN CCC[C@H](C)C(=O)Nc1cccc(CC)c1 ZINC000049935486 350268157 /nfs/dbraw/zinc/26/81/57/350268157.db2.gz ALJGTIQVVHJAFS-NSHDSACASA-N 0 0 219.328 3.624 20 0 BHADRN Cc1ccc(F)c(NC(=O)CCC(C)C)c1 ZINC000049939200 219822798 /nfs/dbraw/zinc/82/27/98/219822798.db2.gz XMLFGSDHRUIANM-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CCCCCC(=O)Nc1cc(C)ccc1F ZINC000049939206 411249730 /nfs/dbraw/zinc/24/97/30/411249730.db2.gz LFLXKGIICUSCHV-UHFFFAOYSA-N 0 0 223.291 3.653 20 0 BHADRN Cc1ccc(F)c(NC(=O)CC(C)(C)C)c1 ZINC000049939208 411249071 /nfs/dbraw/zinc/24/90/71/411249071.db2.gz ADPSKDKVOWDHSQ-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1cc(C)ccc1F ZINC000049939216 169353292 /nfs/dbraw/zinc/35/32/92/169353292.db2.gz DHIRABMKZDNQSN-SNVBAGLBSA-N 0 0 223.291 3.509 20 0 BHADRN CCC[C@H](C)C(=O)Nc1cc(C)ccc1F ZINC000049939217 384580661 /nfs/dbraw/zinc/58/06/61/384580661.db2.gz DHIRABMKZDNQSN-JTQLQIEISA-N 0 0 223.291 3.509 20 0 BHADRN Cc1ccc(NCc2cccc(Cl)c2)nc1 ZINC000049942913 387790110 /nfs/dbraw/zinc/79/01/10/387790110.db2.gz GJSRNILPJABUMX-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1cccnc1NCc1ccc(Cl)cc1 ZINC000049942928 387789249 /nfs/dbraw/zinc/78/92/49/387789249.db2.gz BKXKPCDKJSQPPX-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1cccnc1NCc1ccccc1Cl ZINC000049942929 188086272 /nfs/dbraw/zinc/08/62/72/188086272.db2.gz XIWJBYMCHAGGDC-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1cccnc1NCc1cccc(Cl)c1 ZINC000049942931 187395540 /nfs/dbraw/zinc/39/55/40/187395540.db2.gz BALNBBWRLWGTTP-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN FC(F)(F)CNCc1csc2ccccc12 ZINC000049943305 136271830 /nfs/dbraw/zinc/27/18/30/136271830.db2.gz IVMVWGLZSLWEHD-UHFFFAOYSA-N 0 0 245.269 3.553 20 0 BHADRN CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000049952083 168236180 /nfs/dbraw/zinc/23/61/80/168236180.db2.gz AVUOMVNDVTXHPN-ZETCQYMHSA-N 0 0 246.137 3.581 20 0 BHADRN CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000049952084 168239363 /nfs/dbraw/zinc/23/93/63/168239363.db2.gz AVUOMVNDVTXHPN-SSDOTTSWSA-N 0 0 246.137 3.581 20 0 BHADRN CCc1ccc(COc2ccc(C=O)cc2)cc1 ZINC000049961595 643571379 /nfs/dbraw/zinc/57/13/79/643571379.db2.gz GUHGVXHHWXPLAM-UHFFFAOYSA-N 0 0 240.302 3.641 20 0 BHADRN CCc1ccc(COc2cccc(C=O)c2)cc1 ZINC000049961599 643570505 /nfs/dbraw/zinc/57/05/05/643570505.db2.gz INFMNZVGCYGGQS-UHFFFAOYSA-N 0 0 240.302 3.641 20 0 BHADRN CCc1ccc(COc2ccccc2C=O)cc1 ZINC000049961605 643627266 /nfs/dbraw/zinc/62/72/66/643627266.db2.gz ZGHWHWYBZQHWIN-UHFFFAOYSA-N 0 0 240.302 3.641 20 0 BHADRN CCN(Cc1cccc(N)c1)c1ccc(C)cc1 ZINC000049978308 643626639 /nfs/dbraw/zinc/62/66/39/643626639.db2.gz GMWGLWGJFJPXIJ-UHFFFAOYSA-N 0 0 240.350 3.604 20 0 BHADRN Cc1cccc(N(C)Cc2ccc(Cl)nc2)c1 ZINC000049986472 643574034 /nfs/dbraw/zinc/57/40/34/643574034.db2.gz UGSCLTZHKRBMDO-UHFFFAOYSA-N 0 0 246.741 3.680 20 0 BHADRN Cc1ccc(N(C)Cc2ccc(Cl)nc2)cc1 ZINC000050003968 643625604 /nfs/dbraw/zinc/62/56/04/643625604.db2.gz UMMSZUMFCSZJRW-UHFFFAOYSA-N 0 0 246.741 3.680 20 0 BHADRN CN(C(=O)C(C)(C)C)c1ccc2ccccc2c1 ZINC000050034210 643626199 /nfs/dbraw/zinc/62/61/99/643626199.db2.gz RQDSZLQZJHWJKS-UHFFFAOYSA-N 0 0 241.334 3.849 20 0 BHADRN CCCC(=O)N(C)c1ccc2ccccc2c1 ZINC000050034226 384586557 /nfs/dbraw/zinc/58/65/57/384586557.db2.gz SYWUIOXGIUSSBR-UHFFFAOYSA-N 0 0 227.307 3.603 20 0 BHADRN CN(C(=O)C1CCC1)c1ccc2ccccc2c1 ZINC000050034325 172299632 /nfs/dbraw/zinc/29/96/32/172299632.db2.gz URVSMTRDGOXTLU-UHFFFAOYSA-N 0 0 239.318 3.603 20 0 BHADRN CC(C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000050042288 384586059 /nfs/dbraw/zinc/58/60/59/384586059.db2.gz CTCPWTFZXLHWDB-JTQLQIEISA-N 0 0 239.746 3.563 20 0 BHADRN CC(C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000050042290 384587293 /nfs/dbraw/zinc/58/72/93/384587293.db2.gz CTCPWTFZXLHWDB-SNVBAGLBSA-N 0 0 239.746 3.563 20 0 BHADRN CCCCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000050042368 397990689 /nfs/dbraw/zinc/99/06/89/397990689.db2.gz UTNXVFZOWQQSIN-JTQLQIEISA-N 0 0 239.746 3.707 20 0 BHADRN CCCCC(=O)N[C@H](C)c1ccccc1Cl ZINC000050042369 386716940 /nfs/dbraw/zinc/71/69/40/386716940.db2.gz UTNXVFZOWQQSIN-SNVBAGLBSA-N 0 0 239.746 3.707 20 0 BHADRN C[C@H](NC(=O)C(C)(C)C)c1ccccc1Cl ZINC000050042371 384587336 /nfs/dbraw/zinc/58/73/36/384587336.db2.gz GSVYIQRPOCJLOQ-VIFPVBQESA-N 0 0 239.746 3.563 20 0 BHADRN C[C@@H](NC(=O)C(C)(C)C)c1ccccc1Cl ZINC000050042373 175824768 /nfs/dbraw/zinc/82/47/68/175824768.db2.gz GSVYIQRPOCJLOQ-SECBINFHSA-N 0 0 239.746 3.563 20 0 BHADRN CCCCC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000050042664 168625123 /nfs/dbraw/zinc/62/51/23/168625123.db2.gz HZPXSNZJXJTLSQ-SNVBAGLBSA-N 0 0 239.746 3.707 20 0 BHADRN CC(C)CC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000050042680 384585908 /nfs/dbraw/zinc/58/59/08/384585908.db2.gz BOOKRKGULUVEIJ-SNVBAGLBSA-N 0 0 239.746 3.563 20 0 BHADRN CC(C)(C)CCSc1ccccc1O ZINC000050046762 384689284 /nfs/dbraw/zinc/68/92/84/384689284.db2.gz LDZRPFWEDPLICH-UHFFFAOYSA-N 0 0 210.342 3.921 20 0 BHADRN Oc1ccccc1SCCOc1ccccc1 ZINC000050046813 384689073 /nfs/dbraw/zinc/68/90/73/384689073.db2.gz MFUTWBQWIOSGAG-UHFFFAOYSA-N 0 0 246.331 3.563 20 0 BHADRN COc1ccccc1CSc1ccccc1O ZINC000050046822 322848550 /nfs/dbraw/zinc/84/85/50/322848550.db2.gz AEWUKARRIFXWKE-UHFFFAOYSA-N 0 0 246.331 3.693 20 0 BHADRN Oc1ccccc1SCc1ccccc1F ZINC000050046894 384690668 /nfs/dbraw/zinc/69/06/68/384690668.db2.gz WTDPMMOHRBGCSF-UHFFFAOYSA-N 0 0 234.295 3.824 20 0 BHADRN COc1cccc(CSc2ccccc2O)c1 ZINC000050046910 322848557 /nfs/dbraw/zinc/84/85/57/322848557.db2.gz KTWXDCVYGWGKTN-UHFFFAOYSA-N 0 0 246.331 3.693 20 0 BHADRN Oc1ccccc1SCc1cccc(F)c1 ZINC000050046927 384690661 /nfs/dbraw/zinc/69/06/61/384690661.db2.gz GHRMZFPSSDNISS-UHFFFAOYSA-N 0 0 234.295 3.824 20 0 BHADRN Cc1ccc(CSc2ccccc2O)cc1 ZINC000050046934 384689007 /nfs/dbraw/zinc/68/90/07/384689007.db2.gz JSDAARKKMQXXJV-UHFFFAOYSA-N 0 0 230.332 3.993 20 0 BHADRN Oc1ccccc1SCc1ccc(F)cc1 ZINC000050046936 384690303 /nfs/dbraw/zinc/69/03/03/384690303.db2.gz UGTFKTMHAQWJIU-UHFFFAOYSA-N 0 0 234.295 3.824 20 0 BHADRN Cc1cccc(CSc2ccccc2O)c1 ZINC000050046937 384689443 /nfs/dbraw/zinc/68/94/43/384689443.db2.gz IYPRCQZZLWANDA-UHFFFAOYSA-N 0 0 230.332 3.993 20 0 BHADRN Cc1ccccc1CSc1ccccc1O ZINC000050046941 322848548 /nfs/dbraw/zinc/84/85/48/322848548.db2.gz BSMIFFIYIUGMJS-UHFFFAOYSA-N 0 0 230.332 3.993 20 0 BHADRN Oc1ccccc1SCC1CCCC1 ZINC000050047066 384689633 /nfs/dbraw/zinc/68/96/33/384689633.db2.gz UULMZEXMMFJQEX-UHFFFAOYSA-N 0 0 208.326 3.675 20 0 BHADRN CC(C)CCOCCSc1ccccc1O ZINC000050047069 384694887 /nfs/dbraw/zinc/69/48/87/384694887.db2.gz STYOZUDYQPKPLH-UHFFFAOYSA-N 0 0 240.368 3.547 20 0 BHADRN CC(C)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000050077529 384588774 /nfs/dbraw/zinc/58/87/74/384588774.db2.gz PMDPTIANGJWTMP-UHFFFAOYSA-N 0 0 245.294 3.596 20 0 BHADRN CCCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000050077533 384588978 /nfs/dbraw/zinc/58/89/78/384588978.db2.gz FLAIAAPRDKEWEC-UHFFFAOYSA-N 0 0 245.294 3.740 20 0 BHADRN Cc1ccc(C)c(NC(=O)CCC(C)C)c1 ZINC000050077854 187463598 /nfs/dbraw/zinc/46/35/98/187463598.db2.gz HGFPSQSIWHYLNZ-UHFFFAOYSA-N 0 0 219.328 3.678 20 0 BHADRN CC(C)CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000050078235 411250577 /nfs/dbraw/zinc/25/05/77/411250577.db2.gz ZFJSDABYKKLTNJ-UHFFFAOYSA-N 0 0 249.398 3.508 20 0 BHADRN CCC[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000050078260 411250561 /nfs/dbraw/zinc/25/05/61/411250561.db2.gz NGPWLSBEBIPLOL-UWJCENJNSA-N 0 0 249.398 3.508 20 0 BHADRN CCC[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000050078261 411250672 /nfs/dbraw/zinc/25/06/72/411250672.db2.gz NGPWLSBEBIPLOL-IKMFHRHGSA-N 0 0 249.398 3.508 20 0 BHADRN CCCCCC(=O)N1c2ccccc2C[C@@H]1C ZINC000050078655 168636807 /nfs/dbraw/zinc/63/68/07/168636807.db2.gz LPUDPWUGVXJHJK-LBPRGKRZSA-N 0 0 231.339 3.545 20 0 BHADRN CCCCCC(=O)N1c2ccccc2C[C@H]1C ZINC000050078656 387792243 /nfs/dbraw/zinc/79/22/43/387792243.db2.gz LPUDPWUGVXJHJK-GFCCVEGCSA-N 0 0 231.339 3.545 20 0 BHADRN C[C@H](Nc1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000050101694 643628932 /nfs/dbraw/zinc/62/89/32/643628932.db2.gz LXNVLVFDHMJAIL-LRDDRELGSA-N 0 0 241.334 3.819 20 0 BHADRN C[C@@H](Nc1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000050101695 643592344 /nfs/dbraw/zinc/59/23/44/643592344.db2.gz LXNVLVFDHMJAIL-WBMJQRKESA-N 0 0 241.334 3.819 20 0 BHADRN C[C@H](Nc1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000050101696 643591896 /nfs/dbraw/zinc/59/18/96/643591896.db2.gz LXNVLVFDHMJAIL-BLLLJJGKSA-N 0 0 241.334 3.819 20 0 BHADRN C[C@@H](Nc1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000050101697 643590270 /nfs/dbraw/zinc/59/02/70/643590270.db2.gz LXNVLVFDHMJAIL-MLGOLLRUSA-N 0 0 241.334 3.819 20 0 BHADRN Cc1nccc(CNc2ccc3ccccc3c2)n1 ZINC000050101729 643591870 /nfs/dbraw/zinc/59/18/70/643591870.db2.gz JLZKYGLNODUBTJ-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN c1ccc2cc(NC[C@@H]3CCCOC3)ccc2c1 ZINC000050101732 643590905 /nfs/dbraw/zinc/59/09/05/643590905.db2.gz QBUXVMLSCUVMRB-ZDUSSCGKSA-N 0 0 241.334 3.678 20 0 BHADRN c1ccc2cc(NC[C@H]3CCCOC3)ccc2c1 ZINC000050101733 643592494 /nfs/dbraw/zinc/59/24/94/643592494.db2.gz QBUXVMLSCUVMRB-CYBMUJFWSA-N 0 0 241.334 3.678 20 0 BHADRN c1ccc2cc(NCC[C@@H]3CCCO3)ccc2c1 ZINC000050101746 643590395 /nfs/dbraw/zinc/59/03/95/643590395.db2.gz PEPYAEHAGYFQFU-INIZCTEOSA-N 0 0 241.334 3.821 20 0 BHADRN c1ccc2cc(NCC[C@H]3CCCO3)ccc2c1 ZINC000050101747 643591947 /nfs/dbraw/zinc/59/19/47/643591947.db2.gz PEPYAEHAGYFQFU-MRXNPFEDSA-N 0 0 241.334 3.821 20 0 BHADRN c1csc(CNc2ccc3ccccc3c2)n1 ZINC000050101764 643590952 /nfs/dbraw/zinc/59/09/52/643590952.db2.gz HWDDWFXCKLQIHY-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN COCCCCNc1ccc2ccccc2c1 ZINC000050101803 174205354 /nfs/dbraw/zinc/20/53/54/174205354.db2.gz NUOWOIYJRAOBKL-UHFFFAOYSA-N 0 0 229.323 3.678 20 0 BHADRN CCOC[C@@H](C)Nc1ccc2ccccc2c1 ZINC000050101810 643592042 /nfs/dbraw/zinc/59/20/42/643592042.db2.gz UYJGAGCREXYXCF-GFCCVEGCSA-N 0 0 229.323 3.677 20 0 BHADRN CCOC[C@H](C)Nc1ccc2ccccc2c1 ZINC000050101811 643591145 /nfs/dbraw/zinc/59/11/45/643591145.db2.gz UYJGAGCREXYXCF-LBPRGKRZSA-N 0 0 229.323 3.677 20 0 BHADRN COC[C@@H](C)CNc1ccc2ccccc2c1 ZINC000050101822 643592121 /nfs/dbraw/zinc/59/21/21/643592121.db2.gz LYQPWINSWIBFBE-LBPRGKRZSA-N 0 0 229.323 3.534 20 0 BHADRN COC[C@H](C)CNc1ccc2ccccc2c1 ZINC000050101823 643591242 /nfs/dbraw/zinc/59/12/42/643591242.db2.gz LYQPWINSWIBFBE-GFCCVEGCSA-N 0 0 229.323 3.534 20 0 BHADRN CC(C)c1ccc(Nc2cncc(Cl)n2)cc1 ZINC000050107407 643594264 /nfs/dbraw/zinc/59/42/64/643594264.db2.gz ZEOKQNUZGPVDJW-UHFFFAOYSA-N 0 0 247.729 3.997 20 0 BHADRN CN(Cc1ccccc1)C(=O)CC1CCCCC1 ZINC000050123349 384699802 /nfs/dbraw/zinc/69/98/02/384699802.db2.gz BHCCUANSTGRQJE-UHFFFAOYSA-N 0 0 245.366 3.615 20 0 BHADRN CN(Cc1ccccc1)C(=O)CCC1CCCC1 ZINC000050123761 134652781 /nfs/dbraw/zinc/65/27/81/134652781.db2.gz XZRPVJVIAGATLZ-UHFFFAOYSA-N 0 0 245.366 3.615 20 0 BHADRN CCC[C@@H](CC)Nc1ncnc2ccsc21 ZINC000050164882 384694167 /nfs/dbraw/zinc/69/41/67/384694167.db2.gz HPLBUPUDSIOORW-SECBINFHSA-N 0 0 235.356 3.682 20 0 BHADRN CCC[C@H](CC)Nc1ncnc2ccsc21 ZINC000050164884 384694846 /nfs/dbraw/zinc/69/48/46/384694846.db2.gz HPLBUPUDSIOORW-VIFPVBQESA-N 0 0 235.356 3.682 20 0 BHADRN CCC[C@@H](CC)Nc1ncnc2ccccc21 ZINC000050164943 384691906 /nfs/dbraw/zinc/69/19/06/384691906.db2.gz JDIJKVANSJXVEB-LLVKDONJSA-N 0 0 229.327 3.620 20 0 BHADRN CCC[C@H](CC)Nc1ncnc2ccccc21 ZINC000050164945 322849635 /nfs/dbraw/zinc/84/96/35/322849635.db2.gz JDIJKVANSJXVEB-NSHDSACASA-N 0 0 229.327 3.620 20 0 BHADRN CCC[C@@H](CC)Nc1ncnc2sccc21 ZINC000050164954 384695071 /nfs/dbraw/zinc/69/50/71/384695071.db2.gz QEWOSDNBHVNJLO-SECBINFHSA-N 0 0 235.356 3.682 20 0 BHADRN CCC[C@H](CC)Nc1ncnc2sccc21 ZINC000050164955 384694277 /nfs/dbraw/zinc/69/42/77/384694277.db2.gz QEWOSDNBHVNJLO-VIFPVBQESA-N 0 0 235.356 3.682 20 0 BHADRN CCC[C@@H](CC)Nc1nc2ccccc2o1 ZINC000050164957 322849506 /nfs/dbraw/zinc/84/95/06/322849506.db2.gz PTRWNUOLCKYYBA-SNVBAGLBSA-N 0 0 218.300 3.818 20 0 BHADRN CCC[C@H](CC)Nc1nc2ccccc2o1 ZINC000050164958 322849623 /nfs/dbraw/zinc/84/96/23/322849623.db2.gz PTRWNUOLCKYYBA-JTQLQIEISA-N 0 0 218.300 3.818 20 0 BHADRN CCC[C@@H](CC)Nc1cnc2ccccc2n1 ZINC000050165014 384693982 /nfs/dbraw/zinc/69/39/82/384693982.db2.gz PIPDRZJNYJRNPN-LLVKDONJSA-N 0 0 229.327 3.620 20 0 BHADRN CCC[C@H](CC)Nc1cnc2ccccc2n1 ZINC000050165016 384694251 /nfs/dbraw/zinc/69/42/51/384694251.db2.gz PIPDRZJNYJRNPN-NSHDSACASA-N 0 0 229.327 3.620 20 0 BHADRN Cc1ccc(Cn2cc(-c3ccccc3)cn2)cc1 ZINC000050165048 384694841 /nfs/dbraw/zinc/69/48/41/384694841.db2.gz RQPOFZOMMQBZQY-UHFFFAOYSA-N 0 0 248.329 3.907 20 0 BHADRN CCC(=O)COc1ccc(Cl)c2ccccc12 ZINC000050181926 384688980 /nfs/dbraw/zinc/68/89/80/384688980.db2.gz WUOSNABLPOWJLQ-UHFFFAOYSA-N 0 0 248.709 3.851 20 0 BHADRN CCC(=O)CSc1ccc(C(C)C)cc1 ZINC000050182009 383958980 /nfs/dbraw/zinc/95/89/80/383958980.db2.gz KBZBWWNETNGUQH-UHFFFAOYSA-N 0 0 222.353 3.881 20 0 BHADRN CCC(=O)CSc1ccc2ccccc2c1 ZINC000050182034 322848541 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20 0 BHADRN COc1ccc(N[C@@H](C)C2CCCC2)cc1OC ZINC000054077340 635346158 /nfs/dbraw/zinc/34/61/58/635346158.db2.gz CYAAGWHYJTZXJP-NSHDSACASA-N 0 0 249.354 3.694 20 0 BHADRN COc1ccc(N[C@H](C)C2CCCC2)cc1OC ZINC000054077341 635345419 /nfs/dbraw/zinc/34/54/19/635345419.db2.gz CYAAGWHYJTZXJP-LLVKDONJSA-N 0 0 249.354 3.694 20 0 BHADRN COc1cc(N[C@@H](C)C2CCCC2)cc(OC)c1 ZINC000054077344 322855170 /nfs/dbraw/zinc/85/51/70/322855170.db2.gz YFRQGMYFHISOKX-NSHDSACASA-N 0 0 249.354 3.694 20 0 BHADRN COc1cc(N[C@H](C)C2CCCC2)cc(OC)c1 ZINC000054077345 322855628 /nfs/dbraw/zinc/85/56/28/322855628.db2.gz YFRQGMYFHISOKX-LLVKDONJSA-N 0 0 249.354 3.694 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H](C)C2CCCC2)c1 ZINC000054077384 187272562 /nfs/dbraw/zinc/27/25/62/187272562.db2.gz HRDHNWQWFSWQFO-NSHDSACASA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@H](C)C2CCCC2)c1 ZINC000054077385 259327352 /nfs/dbraw/zinc/32/73/52/259327352.db2.gz HRDHNWQWFSWQFO-LLVKDONJSA-N 0 0 246.354 3.636 20 0 BHADRN C[C@H](Nc1cccc(F)c1)C1CCCC1 ZINC000054077400 322855420 /nfs/dbraw/zinc/85/54/20/322855420.db2.gz AJIFLSHTGSWRMO-JTQLQIEISA-N 0 0 207.292 3.816 20 0 BHADRN C[C@@H](Nc1cccc(F)c1)C1CCCC1 ZINC000054077401 384729932 /nfs/dbraw/zinc/72/99/32/384729932.db2.gz AJIFLSHTGSWRMO-SNVBAGLBSA-N 0 0 207.292 3.816 20 0 BHADRN C[C@H](Nc1ccc(F)cc1)C1CCCC1 ZINC000054077406 322855577 /nfs/dbraw/zinc/85/55/77/322855577.db2.gz QHXBIJFAUIFANO-JTQLQIEISA-N 0 0 207.292 3.816 20 0 BHADRN C[C@@H](Nc1ccc(F)cc1)C1CCCC1 ZINC000054077407 322855416 /nfs/dbraw/zinc/85/54/16/322855416.db2.gz QHXBIJFAUIFANO-SNVBAGLBSA-N 0 0 207.292 3.816 20 0 BHADRN C[C@H](Nc1ccccc1F)C1CCCC1 ZINC000054077412 322855565 /nfs/dbraw/zinc/85/55/65/322855565.db2.gz OYGCULYSSHWGNA-JTQLQIEISA-N 0 0 207.292 3.816 20 0 BHADRN C[C@@H](Nc1ccccc1F)C1CCCC1 ZINC000054077413 384730109 /nfs/dbraw/zinc/73/01/09/384730109.db2.gz OYGCULYSSHWGNA-SNVBAGLBSA-N 0 0 207.292 3.816 20 0 BHADRN COc1cccc(N[C@@H](C)C2CCCC2)c1 ZINC000054077465 322855567 /nfs/dbraw/zinc/85/55/67/322855567.db2.gz MFFMUFDODLTFRB-NSHDSACASA-N 0 0 219.328 3.686 20 0 BHADRN COc1cccc(N[C@H](C)C2CCCC2)c1 ZINC000054077466 384729242 /nfs/dbraw/zinc/72/92/42/384729242.db2.gz MFFMUFDODLTFRB-LLVKDONJSA-N 0 0 219.328 3.686 20 0 BHADRN COc1ccc(N[C@@H](C)C2CCCC2)cc1 ZINC000054077472 643666367 /nfs/dbraw/zinc/66/63/67/643666367.db2.gz FUMMMQGQQYFATP-NSHDSACASA-N 0 0 219.328 3.686 20 0 BHADRN COc1ccc(N[C@H](C)C2CCCC2)cc1 ZINC000054077473 635346070 /nfs/dbraw/zinc/34/60/70/635346070.db2.gz FUMMMQGQQYFATP-LLVKDONJSA-N 0 0 219.328 3.686 20 0 BHADRN COc1ccc(N[C@@H](C)C2CCCC2)cc1F ZINC000054078165 635345583 /nfs/dbraw/zinc/34/55/83/635345583.db2.gz PFFPPXLTKVWIMF-JTQLQIEISA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(N[C@H](C)C2CCCC2)cc1F ZINC000054078167 635345618 /nfs/dbraw/zinc/34/56/18/635345618.db2.gz PFFPPXLTKVWIMF-SNVBAGLBSA-N 0 0 237.318 3.825 20 0 BHADRN C[C@H](Nc1ccc(N(C)C)cc1)C1CCCC1 ZINC000054078416 635345932 /nfs/dbraw/zinc/34/59/32/635345932.db2.gz KSUNADIJCOSDRN-LBPRGKRZSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@@H](Nc1ccc(N(C)C)cc1)C1CCCC1 ZINC000054078417 635345486 /nfs/dbraw/zinc/34/54/86/635345486.db2.gz KSUNADIJCOSDRN-GFCCVEGCSA-N 0 0 232.371 3.743 20 0 BHADRN COCc1cccc(N[C@@H](C)C2CCCC2)c1 ZINC000054078433 384730735 /nfs/dbraw/zinc/73/07/35/384730735.db2.gz RDLLRVFUOISZGU-LBPRGKRZSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(N[C@H](C)C2CCCC2)c1 ZINC000054078434 322855503 /nfs/dbraw/zinc/85/55/03/322855503.db2.gz RDLLRVFUOISZGU-GFCCVEGCSA-N 0 0 233.355 3.824 20 0 BHADRN C[C@H](Nc1ccc2n[nH]cc2c1)C1CCCC1 ZINC000054079124 322855510 /nfs/dbraw/zinc/85/55/10/322855510.db2.gz YTZHFBUDZZXYFF-JTQLQIEISA-N 0 0 229.327 3.554 20 0 BHADRN C[C@@H](Nc1ccc2n[nH]cc2c1)C1CCCC1 ZINC000054079125 322855581 /nfs/dbraw/zinc/85/55/81/322855581.db2.gz YTZHFBUDZZXYFF-SNVBAGLBSA-N 0 0 229.327 3.554 20 0 BHADRN C[C@H](Nc1ccccc1N(C)C)C1CCCC1 ZINC000054079706 322855677 /nfs/dbraw/zinc/85/56/77/322855677.db2.gz KYBZFGUACGKGOI-LBPRGKRZSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@@H](Nc1ccccc1N(C)C)C1CCCC1 ZINC000054079708 384729312 /nfs/dbraw/zinc/72/93/12/384729312.db2.gz KYBZFGUACGKGOI-GFCCVEGCSA-N 0 0 232.371 3.743 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCO2)C1CCCC1 ZINC000054079887 635348883 /nfs/dbraw/zinc/34/88/83/635348883.db2.gz SJTPKPBKOQDJIR-NSHDSACASA-N 0 0 231.339 3.612 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCO2)C1CCCC1 ZINC000054079889 635348244 /nfs/dbraw/zinc/34/82/44/635348244.db2.gz SJTPKPBKOQDJIR-LLVKDONJSA-N 0 0 231.339 3.612 20 0 BHADRN CCCCCNC(=O)CCc1ccc(C)cc1C ZINC000054104966 363560112 /nfs/dbraw/zinc/56/01/12/363560112.db2.gz AODOIHOGMZBOIM-UHFFFAOYSA-N 0 0 247.382 3.542 20 0 BHADRN CN(C/C=C/Cl)Cc1ccc(Cl)cc1 ZINC000054105363 635358163 /nfs/dbraw/zinc/35/81/63/635358163.db2.gz IJPXGBHQUMVFQK-FARCUNLSSA-N 0 0 230.138 3.524 20 0 BHADRN CCCCCC(=O)Nc1ccc2c(c1)CCCN2 ZINC000054107641 384821226 /nfs/dbraw/zinc/82/12/26/384821226.db2.gz GZWWAMKVKOCDHO-UHFFFAOYSA-N 0 0 246.354 3.564 20 0 BHADRN c1cnc2ccc(NC3CCCC3)cc2c1 ZINC000054107815 384731671 /nfs/dbraw/zinc/73/16/71/384731671.db2.gz VLPVNRYHLDNERO-UHFFFAOYSA-N 0 0 212.296 3.589 20 0 BHADRN c1csc(CNc2ccc3ncccc3c2)c1 ZINC000054107831 387824754 /nfs/dbraw/zinc/82/47/54/387824754.db2.gz ICSRVMYXQFZYRK-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN Cc1ccc(CNc2ccc3ncccc3c2)o1 ZINC000054107835 134756948 /nfs/dbraw/zinc/75/69/48/134756948.db2.gz AIYGMGLVHDWBIF-UHFFFAOYSA-N 0 0 238.290 3.748 20 0 BHADRN c1cc(CNc2ccc3ncccc3c2)cs1 ZINC000054107839 134756502 /nfs/dbraw/zinc/75/65/02/134756502.db2.gz KPDCSZSGGGQGRG-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN C[C@H](Nc1ccc2ncccc2c1)c1ccccn1 ZINC000054107856 134756405 /nfs/dbraw/zinc/75/64/05/134756405.db2.gz LEWMKMNGIBSJNZ-LBPRGKRZSA-N 0 0 249.317 3.803 20 0 BHADRN C[C@@H](Nc1ccc2ncccc2c1)c1ccccn1 ZINC000054107857 347462462 /nfs/dbraw/zinc/46/24/62/347462462.db2.gz LEWMKMNGIBSJNZ-GFCCVEGCSA-N 0 0 249.317 3.803 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc2ncccc2c1 ZINC000054107879 322855783 /nfs/dbraw/zinc/85/57/83/322855783.db2.gz VCMMQTCQOOROOJ-LLVKDONJSA-N 0 0 214.312 3.691 20 0 BHADRN CC(C)[C@H](C)Nc1ccc2ncccc2c1 ZINC000054107880 384730747 /nfs/dbraw/zinc/73/07/47/384730747.db2.gz VCMMQTCQOOROOJ-NSHDSACASA-N 0 0 214.312 3.691 20 0 BHADRN CCC(CC)Nc1ccc2ncccc2c1 ZINC000054107901 322855632 /nfs/dbraw/zinc/85/56/32/322855632.db2.gz UGZOOUPNSBNJJU-UHFFFAOYSA-N 0 0 214.312 3.835 20 0 BHADRN c1ccc(CNc2ccc3ncccc3c2)cc1 ZINC000054107962 385848084 /nfs/dbraw/zinc/84/80/84/385848084.db2.gz DQPVTGUCSNSTBC-UHFFFAOYSA-N 0 0 234.302 3.847 20 0 BHADRN CC[C@@H](C)CNc1ccc2ncccc2c1 ZINC000054108001 535526928 /nfs/dbraw/zinc/52/69/28/535526928.db2.gz SUKLFDKZUHMQGF-LLVKDONJSA-N 0 0 214.312 3.693 20 0 BHADRN CC[C@H](C)CNc1ccc2ncccc2c1 ZINC000054108002 358852810 /nfs/dbraw/zinc/85/28/10/358852810.db2.gz SUKLFDKZUHMQGF-NSHDSACASA-N 0 0 214.312 3.693 20 0 BHADRN c1cnc2ccc(NC3CCSCC3)cc2c1 ZINC000054108040 384821816 /nfs/dbraw/zinc/82/18/16/384821816.db2.gz JFUVHGCXMLXSLX-UHFFFAOYSA-N 0 0 244.363 3.542 20 0 BHADRN CC(C)(C)CNc1ccc2ncccc2c1 ZINC000054108143 534613176 /nfs/dbraw/zinc/61/31/76/534613176.db2.gz MBSPYGILDXJYKC-UHFFFAOYSA-N 0 0 214.312 3.693 20 0 BHADRN CN(C/C=C/Cl)Cc1ccccc1Cl ZINC000054114464 643666107 /nfs/dbraw/zinc/66/61/07/643666107.db2.gz CKCIHOHTBTWXBX-QPJJXVBHSA-N 0 0 230.138 3.524 20 0 BHADRN CN(C/C=C/Cl)Cc1c(F)cccc1Cl ZINC000054114518 643666701 /nfs/dbraw/zinc/66/67/01/643666701.db2.gz GANGHEQFIKNCTG-ZZXKWVIFSA-N 0 0 248.128 3.663 20 0 BHADRN CN(C/C=C/Cl)Cc1ccc(Cl)s1 ZINC000054115546 636034857 /nfs/dbraw/zinc/03/48/57/636034857.db2.gz KBQUURPSLCZKGB-GORDUTHDSA-N 0 0 236.167 3.586 20 0 BHADRN CCC(CC)NC(=O)CCc1ccc(C)cc1C ZINC000054116312 490229363 /nfs/dbraw/zinc/22/93/63/490229363.db2.gz PZZPZZIWBMYRFB-UHFFFAOYSA-N 0 0 247.382 3.541 20 0 BHADRN CCCCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000054136343 363562217 /nfs/dbraw/zinc/56/22/17/363562217.db2.gz KCXFMIDWLQWSAW-LLVKDONJSA-N 0 0 237.368 3.602 20 0 BHADRN CCCCC(=O)N1CCC[C@H]1c1cccs1 ZINC000054136348 363562480 /nfs/dbraw/zinc/56/24/80/363562480.db2.gz KCXFMIDWLQWSAW-NSHDSACASA-N 0 0 237.368 3.602 20 0 BHADRN COc1ccc(C)cc1CSc1ccccn1 ZINC000054149001 488215528 /nfs/dbraw/zinc/21/55/28/488215528.db2.gz QULCPTQPXXZXJU-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN OCCCCCSc1cccc(Cl)c1 ZINC000054185724 183049317 /nfs/dbraw/zinc/04/93/17/183049317.db2.gz ATGSOUHTRDWNLN-UHFFFAOYSA-N 0 0 230.760 3.595 20 0 BHADRN CCCC(=O)CSc1cccc(Cl)c1 ZINC000054185822 387377225 /nfs/dbraw/zinc/37/72/25/387377225.db2.gz QAQAESXGQOINDK-UHFFFAOYSA-N 0 0 228.744 3.801 20 0 BHADRN O=C1CCCC[C@H]1Sc1cccc(Cl)c1 ZINC000054185844 385722910 /nfs/dbraw/zinc/72/29/10/385722910.db2.gz VBUXXZKZJYYUHK-GFCCVEGCSA-N 0 0 240.755 3.944 20 0 BHADRN O=C1CCCC[C@@H]1Sc1cccc(Cl)c1 ZINC000054185845 385721908 /nfs/dbraw/zinc/72/19/08/385721908.db2.gz VBUXXZKZJYYUHK-LBPRGKRZSA-N 0 0 240.755 3.944 20 0 BHADRN COCCCCNc1ccc(C(F)(F)F)cc1 ZINC000054186900 174204775 /nfs/dbraw/zinc/20/47/75/174204775.db2.gz HNKZHGSKBHAGMC-UHFFFAOYSA-N 0 0 247.260 3.544 20 0 BHADRN Cc1ccc(NC(=O)c2cccc(F)c2F)cc1 ZINC000054188970 397972673 /nfs/dbraw/zinc/97/26/73/397972673.db2.gz TXCKSLSPBSPDHC-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN Cc1cccc(NC(=O)c2cccc(F)c2F)c1 ZINC000054189025 358856179 /nfs/dbraw/zinc/85/61/79/358856179.db2.gz AUJQUXNUFZJZCS-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN Cc1ccccc1NC(=O)c1cccc(F)c1F ZINC000054189039 179304015 /nfs/dbraw/zinc/30/40/15/179304015.db2.gz ABAFRMOJRLQFMT-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000054211153 363565964 /nfs/dbraw/zinc/56/59/64/363565964.db2.gz UJXLPNXFVRHNKD-DOMZBBRYSA-N 0 0 245.366 3.690 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000054211155 363564928 /nfs/dbraw/zinc/56/49/28/363564928.db2.gz UJXLPNXFVRHNKD-WFASDCNBSA-N 0 0 245.366 3.690 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000054211158 363565745 /nfs/dbraw/zinc/56/57/45/363565745.db2.gz UJXLPNXFVRHNKD-IUODEOHRSA-N 0 0 245.366 3.690 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000054211161 363565161 /nfs/dbraw/zinc/56/51/61/363565161.db2.gz UJXLPNXFVRHNKD-SWLSCSKDSA-N 0 0 245.366 3.690 20 0 BHADRN CC(C)CCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000054211391 363565569 /nfs/dbraw/zinc/56/55/69/363565569.db2.gz UZIKYTVIOBTCDA-INIZCTEOSA-N 0 0 245.366 3.690 20 0 BHADRN CC(C)CCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000054211392 363564873 /nfs/dbraw/zinc/56/48/73/363564873.db2.gz UZIKYTVIOBTCDA-MRXNPFEDSA-N 0 0 245.366 3.690 20 0 BHADRN CCC[C@@H](C)NC(=O)CCc1ccc(C)cc1C ZINC000054368836 411314518 /nfs/dbraw/zinc/31/45/18/411314518.db2.gz NZRWKJCAVZGXTO-CQSZACIVSA-N 0 0 247.382 3.541 20 0 BHADRN CCC[C@H](C)NC(=O)CCc1ccc(C)cc1C ZINC000054368837 411314422 /nfs/dbraw/zinc/31/44/22/411314422.db2.gz NZRWKJCAVZGXTO-AWEZNQCLSA-N 0 0 247.382 3.541 20 0 BHADRN CCC(C)(C)NC(=O)CCc1ccc(C)cc1C ZINC000054368931 363570046 /nfs/dbraw/zinc/57/00/46/363570046.db2.gz CDIOHGAGPLNLRB-UHFFFAOYSA-N 0 0 247.382 3.541 20 0 BHADRN c1sc2ccccc2c1CNc1cccnc1 ZINC000054462574 387827376 /nfs/dbraw/zinc/82/73/76/387827376.db2.gz MASQQXDSESWIEV-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN CC[C@H](C)C[NH2+]Cc1c(F)cccc1Cl ZINC000054467285 323087161 /nfs/dbraw/zinc/08/71/61/323087161.db2.gz RMHYTIAGRNGMBZ-VIFPVBQESA-N 0 0 229.726 3.615 20 0 BHADRN CCCCN(C)C(=O)c1ccc(CC(C)C)cc1 ZINC000054484939 487870408 /nfs/dbraw/zinc/87/04/08/487870408.db2.gz TWHMFPOCNLDAGH-UHFFFAOYSA-N 0 0 247.382 3.757 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)[C@H]1CC=CCC1 ZINC000054486163 363573405 /nfs/dbraw/zinc/57/34/05/363573405.db2.gz BWZCVEWZXHPJNM-KGLIPLIRSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@H]1CC=CCC1 ZINC000054486164 363573063 /nfs/dbraw/zinc/57/30/63/363573063.db2.gz BWZCVEWZXHPJNM-KBPBESRZSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CC=CCC1 ZINC000054486165 363573091 /nfs/dbraw/zinc/57/30/91/363573091.db2.gz BWZCVEWZXHPJNM-ZIAGYGMSSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@@H]1CC=CCC1 ZINC000054486166 363572984 /nfs/dbraw/zinc/57/29/84/363572984.db2.gz BWZCVEWZXHPJNM-UONOGXRCSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)c1ccsc1 ZINC000054486169 363573099 /nfs/dbraw/zinc/57/30/99/363573099.db2.gz SEEFLUIEVWDVGN-LLVKDONJSA-N 0 0 239.384 3.693 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)c1ccsc1 ZINC000054486170 363573103 /nfs/dbraw/zinc/57/31/03/363573103.db2.gz SEEFLUIEVWDVGN-NSHDSACASA-N 0 0 239.384 3.693 20 0 BHADRN CCCCCC(=O)N[C@@H](C)CCC(C)C ZINC000054486185 323205194 /nfs/dbraw/zinc/20/51/94/323205194.db2.gz AGZAZXNEKDAOMF-LBPRGKRZSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCCC(=O)N[C@H](C)CCC(C)C ZINC000054486186 323205216 /nfs/dbraw/zinc/20/52/16/323205216.db2.gz AGZAZXNEKDAOMF-GFCCVEGCSA-N 0 0 213.365 3.508 20 0 BHADRN CC(C)N(Cc1ccccc1)C(=O)C1CCCC1 ZINC000054531711 398119915 /nfs/dbraw/zinc/11/99/15/398119915.db2.gz IGAKQLZHFLFYLZ-UHFFFAOYSA-N 0 0 245.366 3.614 20 0 BHADRN CC(C)(C)CC(C)(C)NC(=O)c1ccsc1 ZINC000054532584 363573360 /nfs/dbraw/zinc/57/33/60/363573360.db2.gz QIFACPBBWCLZGR-UHFFFAOYSA-N 0 0 239.384 3.693 20 0 BHADRN Cc1ccoc1C(=O)NC(C)(C)CC(C)(C)C 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C/C(=C/C(=O)N[C@H](C)CCCC(C)C)C1CC1 ZINC000054857397 640415487 /nfs/dbraw/zinc/41/54/87/640415487.db2.gz TVSHAJAVRPHHDI-KXXVWKPMSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@@H](C)CCCC(C)C)C1CC1 ZINC000054857399 640415817 /nfs/dbraw/zinc/41/58/17/640415817.db2.gz TVSHAJAVRPHHDI-XSNHNAGMSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H](C)CCCC(C)C)C1CC1 ZINC000054857401 640415933 /nfs/dbraw/zinc/41/59/33/640415933.db2.gz TVSHAJAVRPHHDI-UKVQZPPCSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(=O)NC1CCCCCCC1)C1CC1 ZINC000054859010 643676714 /nfs/dbraw/zinc/67/67/14/643676714.db2.gz OLKQUPYWUHKOQA-VAWYXSNFSA-N 0 0 235.371 3.572 20 0 BHADRN C/C(=C/C(=O)NC1CCCCCCC1)C1CC1 ZINC000054859012 640415352 /nfs/dbraw/zinc/41/53/52/640415352.db2.gz OLKQUPYWUHKOQA-QXMHVHEDSA-N 0 0 235.371 3.572 20 0 BHADRN CSc1ccccc1NC(=O)/C=C(\C)C1CC1 ZINC000054861834 640415853 /nfs/dbraw/zinc/41/58/53/640415853.db2.gz UKNNJDZGHUHZBF-MDZDMXLPSA-N 0 0 247.363 3.703 20 0 BHADRN CSc1ccccc1NC(=O)/C=C(/C)C1CC1 ZINC000054861836 640416337 /nfs/dbraw/zinc/41/63/37/640416337.db2.gz UKNNJDZGHUHZBF-KTKRTIGZSA-N 0 0 247.363 3.703 20 0 BHADRN CCc1cccc(NC(=O)/C=C(\C)C2CC2)c1 ZINC000054868809 640415961 /nfs/dbraw/zinc/41/59/61/640415961.db2.gz AEHVVSRMNPDEFH-PKNBQFBNSA-N 0 0 229.323 3.544 20 0 BHADRN CCc1cccc(NC(=O)/C=C(/C)C2CC2)c1 ZINC000054868810 640418065 /nfs/dbraw/zinc/41/80/65/640418065.db2.gz AEHVVSRMNPDEFH-LUAWRHEFSA-N 0 0 229.323 3.544 20 0 BHADRN CC1CCC(N=Nc2ncccc2Cl)CC1 ZINC000054884535 640415472 /nfs/dbraw/zinc/41/54/72/640415472.db2.gz IMGDLBCCRNIDOH-UHFFFAOYSA-N 0 0 237.734 3.713 20 0 BHADRN CCc1ccccc1NC(=O)/C=C(\C)C1CC1 ZINC000054914911 640418461 /nfs/dbraw/zinc/41/84/61/640418461.db2.gz HXLIXNNYRCKMEL-ZHACJKMWSA-N 0 0 229.323 3.544 20 0 BHADRN CCc1ccccc1NC(=O)/C=C(/C)C1CC1 ZINC000054914912 640417882 /nfs/dbraw/zinc/41/78/82/640417882.db2.gz HXLIXNNYRCKMEL-KHPPLWFESA-N 0 0 229.323 3.544 20 0 BHADRN CC(C)c1cccc(Nc2cncc(Cl)n2)c1 ZINC000054917774 167632733 /nfs/dbraw/zinc/63/27/33/167632733.db2.gz WAJVKMPSDSYPJE-UHFFFAOYSA-N 0 0 247.729 3.997 20 0 BHADRN CCc1nc(CN[C@@H](C)c2ccccc2)cs1 ZINC000054917934 343663540 /nfs/dbraw/zinc/66/35/40/343663540.db2.gz FAJAMYAJFSBPGP-NSHDSACASA-N 0 0 246.379 3.556 20 0 BHADRN CCc1nc(CN[C@H](C)c2ccccc2)cs1 ZINC000054917935 343663237 /nfs/dbraw/zinc/66/32/37/343663237.db2.gz FAJAMYAJFSBPGP-LLVKDONJSA-N 0 0 246.379 3.556 20 0 BHADRN CCc1nc(CNc2cccc(C)c2)cs1 ZINC000054918056 358878757 /nfs/dbraw/zinc/87/87/57/358878757.db2.gz GHLVHOOLWCJVTQ-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCc1nc(CNc2ccc(C)c(C)c2)cs1 ZINC000054918057 358878808 /nfs/dbraw/zinc/87/88/08/358878808.db2.gz KYDZGGUULQQUMR-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CCc1nc(CNc2ccc(C)cc2)cs1 ZINC000054918060 134772857 /nfs/dbraw/zinc/77/28/57/134772857.db2.gz UABXOAMCRQJWPR-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCc1nc(CNc2cc(C)cc(C)c2)cs1 ZINC000054918093 358878500 /nfs/dbraw/zinc/87/85/00/358878500.db2.gz MQAAEXAVOZUPHS-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CCc1nc(CNc2ccc(CC)cc2)cs1 ZINC000054918095 322857993 /nfs/dbraw/zinc/85/79/93/322857993.db2.gz WVJAICJPLTXUHG-UHFFFAOYSA-N 0 0 246.379 3.880 20 0 BHADRN CCc1nc(CNc2cccc(CC)c2)cs1 ZINC000054918108 384744516 /nfs/dbraw/zinc/74/45/16/384744516.db2.gz GHLHGIVCUIZPDW-UHFFFAOYSA-N 0 0 246.379 3.880 20 0 BHADRN CCc1nc(CNc2cc(C)ccc2C)cs1 ZINC000054918137 358878910 /nfs/dbraw/zinc/87/89/10/358878910.db2.gz GSBVTWSDXTTYGN-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CCc1nc(CNc2ccccc2C)cs1 ZINC000054918138 358878198 /nfs/dbraw/zinc/87/81/98/358878198.db2.gz CEEUZARGWURBKF-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCc1nc(CNc2cccc(C)c2C)cs1 ZINC000054918140 358878939 /nfs/dbraw/zinc/87/89/39/358878939.db2.gz PGUCPWMWVUDLOC-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CCc1nc(CNc2ccc(C)cc2C)cs1 ZINC000054918141 358878305 /nfs/dbraw/zinc/87/83/05/358878305.db2.gz MKBCRXGVKZCCSO-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CCc1nc(CNc2ccccc2CC)cs1 ZINC000054918171 343043835 /nfs/dbraw/zinc/04/38/35/343043835.db2.gz XXLFXBXDXFARFM-UHFFFAOYSA-N 0 0 246.379 3.880 20 0 BHADRN Cc1nccc(N[C@H](C)c2cccc(Cl)c2)n1 ZINC000054936038 180206540 /nfs/dbraw/zinc/20/65/40/180206540.db2.gz KTVCWXISDSXHDK-SECBINFHSA-N 0 0 247.729 3.612 20 0 BHADRN CCCCCC[C@@H](C)Nc1ccnc(C)n1 ZINC000054936215 640424179 /nfs/dbraw/zinc/42/41/79/640424179.db2.gz RZQPKZQFAJULHF-LLVKDONJSA-N 0 0 221.348 3.556 20 0 BHADRN CCCCCC[C@H](C)Nc1ccnc(C)n1 ZINC000054936216 640423478 /nfs/dbraw/zinc/42/34/78/640423478.db2.gz RZQPKZQFAJULHF-NSHDSACASA-N 0 0 221.348 3.556 20 0 BHADRN Cc1cc([C@@H](C)Nc2ccnc(C)n2)c(C)s1 ZINC000054936248 180206072 /nfs/dbraw/zinc/20/60/72/180206072.db2.gz FPRFLXCGMZZVPI-SECBINFHSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cc([C@H](C)Nc2ccnc(C)n2)c(C)s1 ZINC000054936251 180203682 /nfs/dbraw/zinc/20/36/82/180203682.db2.gz FPRFLXCGMZZVPI-VIFPVBQESA-N 0 0 247.367 3.636 20 0 BHADRN Cc1nccc(N[C@@H](C)c2ccccc2Cl)n1 ZINC000054936253 358879849 /nfs/dbraw/zinc/87/98/49/358879849.db2.gz SOPHKIQPNRCLKA-VIFPVBQESA-N 0 0 247.729 3.612 20 0 BHADRN Cc1nccc(N[C@H](C)c2ccccc2Cl)n1 ZINC000054936254 358879853 /nfs/dbraw/zinc/87/98/53/358879853.db2.gz SOPHKIQPNRCLKA-SECBINFHSA-N 0 0 247.729 3.612 20 0 BHADRN CCCC1CCC(Nc2ccnc(C)n2)CC1 ZINC000054936283 358879770 /nfs/dbraw/zinc/87/97/70/358879770.db2.gz PKWHQIPSANTBKF-UHFFFAOYSA-N 0 0 233.359 3.556 20 0 BHADRN Cc1nccc(NCc2ccc(C(C)C)cc2)n1 ZINC000054936401 180200615 /nfs/dbraw/zinc/20/06/15/180200615.db2.gz WTDBBGWMUDMLNA-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN Cc1nccc(NCc2cccc3ccccc32)n1 ZINC000054936531 180201415 /nfs/dbraw/zinc/20/14/15/180201415.db2.gz PWWQQEUNPZVAMG-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CC[C@H](Nc1ccnc(C)n1)C1CCCCC1 ZINC000054936560 345785010 /nfs/dbraw/zinc/78/50/10/345785010.db2.gz WURPNKSYBCBWFJ-ZDUSSCGKSA-N 0 0 233.359 3.556 20 0 BHADRN CC[C@@H](Nc1ccnc(C)n1)C1CCCCC1 ZINC000054936562 345785467 /nfs/dbraw/zinc/78/54/67/345785467.db2.gz WURPNKSYBCBWFJ-CYBMUJFWSA-N 0 0 233.359 3.556 20 0 BHADRN c1nn(C2CCCC2)cc1-c1ccccc1 ZINC000054937820 183380604 /nfs/dbraw/zinc/38/06/04/183380604.db2.gz ONUSXKWSOUZBEV-UHFFFAOYSA-N 0 0 212.296 3.665 20 0 BHADRN CC[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054937832 411218313 /nfs/dbraw/zinc/21/83/13/411218313.db2.gz BZHMVCMXLCRTPT-LLVKDONJSA-N 0 0 200.285 3.521 20 0 BHADRN CC[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054937835 411388592 /nfs/dbraw/zinc/38/85/92/411388592.db2.gz BZHMVCMXLCRTPT-NSHDSACASA-N 0 0 200.285 3.521 20 0 BHADRN CC(C)CCn1cc(-c2ccccc2)cn1 ZINC000054937844 384745132 /nfs/dbraw/zinc/74/51/32/384745132.db2.gz UDBBSIYHTPUESF-UHFFFAOYSA-N 0 0 214.312 3.596 20 0 BHADRN Cc1cccc(CSCC(=O)C(C)(C)C)c1 ZINC000054965985 322857883 /nfs/dbraw/zinc/85/78/83/322857883.db2.gz BTRWNDUZNAGYEJ-UHFFFAOYSA-N 0 0 236.380 3.843 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000055007031 640431997 /nfs/dbraw/zinc/43/19/97/640431997.db2.gz NVAKMWAQGBFHJH-NOQIOLJMSA-N 0 0 247.382 3.524 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000055007032 640432674 /nfs/dbraw/zinc/43/26/74/640432674.db2.gz NVAKMWAQGBFHJH-NKQSMMKRSA-N 0 0 247.382 3.524 20 0 BHADRN CSc1ccc(NC(=O)/C=C(\C)C2CC2)cc1 ZINC000055051540 640430173 /nfs/dbraw/zinc/43/01/73/640430173.db2.gz JOXWNUQKJCZLKK-MDZDMXLPSA-N 0 0 247.363 3.703 20 0 BHADRN Cc1occc1CN(C)Cc1ccccc1Cl ZINC000055052936 363584204 /nfs/dbraw/zinc/58/42/04/363584204.db2.gz AKTCPHFHWRIPGD-UHFFFAOYSA-N 0 0 249.741 3.873 20 0 BHADRN Cc1occc1C[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000055057695 388073105 /nfs/dbraw/zinc/07/31/05/388073105.db2.gz HRMOTWBXNBUIBO-NSHDSACASA-N 0 0 247.313 3.920 20 0 BHADRN Cc1occc1C[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000055057696 388073964 /nfs/dbraw/zinc/07/39/64/388073964.db2.gz HRMOTWBXNBUIBO-LLVKDONJSA-N 0 0 247.313 3.920 20 0 BHADRN C/C(=C/C(=O)NC(C)(C)CC(C)(C)C)C1CC1 ZINC000055115672 643677484 /nfs/dbraw/zinc/67/74/84/643677484.db2.gz MBZJNTSDYGTOCX-LUAWRHEFSA-N 0 0 237.387 3.674 20 0 BHADRN CN(Cc1ccccc1)C(=O)C=C1CCCCC1 ZINC000055140031 363586351 /nfs/dbraw/zinc/58/63/51/363586351.db2.gz GHRNEUYKMUOYPX-UHFFFAOYSA-N 0 0 243.350 3.536 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC000055140520 640440054 /nfs/dbraw/zinc/44/00/54/640440054.db2.gz OUHJNTYQIFPQGD-CQSZACIVSA-N 0 0 235.371 3.668 20 0 BHADRN CC[C@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC000055140522 636573729 /nfs/dbraw/zinc/57/37/29/636573729.db2.gz OUHJNTYQIFPQGD-AWEZNQCLSA-N 0 0 235.371 3.668 20 0 BHADRN Cc1ccccc1NC(=O)C=C1CCCCC1 ZINC000055162246 640438535 /nfs/dbraw/zinc/43/85/35/640438535.db2.gz FYRUBTXTEFFQRC-UHFFFAOYSA-N 0 0 229.323 3.824 20 0 BHADRN O=C(C=C1CCCCC1)Nc1ccc(F)cc1 ZINC000055165609 643334633 /nfs/dbraw/zinc/33/46/33/643334633.db2.gz REMWPACAHMTWPY-UHFFFAOYSA-N 0 0 233.286 3.655 20 0 BHADRN O=C(C=C1CCCCC1)Nc1ccccc1F ZINC000055195968 363586690 /nfs/dbraw/zinc/58/66/90/363586690.db2.gz SBLBJCOGHWWUDE-UHFFFAOYSA-N 0 0 233.286 3.655 20 0 BHADRN CCCN(CCC)C(=O)C=C1CCCCC1 ZINC000055220201 640447238 /nfs/dbraw/zinc/44/72/38/640447238.db2.gz NTLFFAQPRIIFKY-UHFFFAOYSA-N 0 0 223.360 3.526 20 0 BHADRN CC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000055275572 343666791 /nfs/dbraw/zinc/66/67/91/343666791.db2.gz AFQQMHSHEKIVOS-ZJUUUORDSA-N 0 0 239.746 3.563 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000055275573 343666787 /nfs/dbraw/zinc/66/67/87/343666787.db2.gz AFQQMHSHEKIVOS-UWVGGRQHSA-N 0 0 239.746 3.563 20 0 BHADRN CC[C@@H](C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000055275574 363589019 /nfs/dbraw/zinc/58/90/19/363589019.db2.gz AFQQMHSHEKIVOS-NXEZZACHSA-N 0 0 239.746 3.563 20 0 BHADRN CC[C@H](C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000055275575 363589571 /nfs/dbraw/zinc/58/95/71/363589571.db2.gz AFQQMHSHEKIVOS-VHSXEESVSA-N 0 0 239.746 3.563 20 0 BHADRN CC[C@@H](C)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000055275580 363588911 /nfs/dbraw/zinc/58/89/11/363588911.db2.gz BISHWHIBBLTMRM-NXEZZACHSA-N 0 0 239.746 3.563 20 0 BHADRN CC[C@H](C)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000055275581 363589337 /nfs/dbraw/zinc/58/93/37/363589337.db2.gz BISHWHIBBLTMRM-VHSXEESVSA-N 0 0 239.746 3.563 20 0 BHADRN CC[C@@H](C)C(=O)N(C)c1ccc2ccccc2c1 ZINC000055310297 640454434 /nfs/dbraw/zinc/45/44/34/640454434.db2.gz IMQKUYSZDSSARQ-GFCCVEGCSA-N 0 0 241.334 3.849 20 0 BHADRN CC[C@H](C)C(=O)N(C)c1ccc2ccccc2c1 ZINC000055310298 640455742 /nfs/dbraw/zinc/45/57/42/640455742.db2.gz IMQKUYSZDSSARQ-LBPRGKRZSA-N 0 0 241.334 3.849 20 0 BHADRN CC[C@@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000055311341 363590686 /nfs/dbraw/zinc/59/06/86/363590686.db2.gz NJPYAZDHTNUQFA-LLVKDONJSA-N 0 0 219.328 3.795 20 0 BHADRN CC[C@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000055311342 363590841 /nfs/dbraw/zinc/59/08/41/363590841.db2.gz NJPYAZDHTNUQFA-NSHDSACASA-N 0 0 219.328 3.795 20 0 BHADRN c1ccc2nc(NCCC3CCCC3)cnc2c1 ZINC000055372191 322857167 /nfs/dbraw/zinc/85/71/67/322857167.db2.gz XOBXYRMBLQJPON-UHFFFAOYSA-N 0 0 241.338 3.622 20 0 BHADRN CCCCCNc1nc2ccccc2nc1C ZINC000055373202 322857286 /nfs/dbraw/zinc/85/72/86/322857286.db2.gz NOQDVXAWWZPLLT-UHFFFAOYSA-N 0 0 229.327 3.540 20 0 BHADRN CCC(CC)Nc1nc2ccccc2nc1C ZINC000055373273 168395135 /nfs/dbraw/zinc/39/51/35/168395135.db2.gz GARONUIBXOINOX-UHFFFAOYSA-N 0 0 229.327 3.539 20 0 BHADRN CCC[C@@H](C)Nc1nc2ccccc2nc1C ZINC000055373479 411397940 /nfs/dbraw/zinc/39/79/40/411397940.db2.gz CXVNZWRZTRKFEN-SNVBAGLBSA-N 0 0 229.327 3.539 20 0 BHADRN CCC[C@H](C)Nc1nc2ccccc2nc1C ZINC000055373482 411397833 /nfs/dbraw/zinc/39/78/33/411397833.db2.gz CXVNZWRZTRKFEN-JTQLQIEISA-N 0 0 229.327 3.539 20 0 BHADRN O=C(C=C1CCCCC1)NC1CCCCCC1 ZINC000055373954 711789329 /nfs/dbraw/zinc/78/93/29/711789329.db2.gz IBBRKDMHIJFDEC-UHFFFAOYSA-N 0 0 235.371 3.716 20 0 BHADRN CCCCC(=O)NC1CCC(CCC)CC1 ZINC000055430351 363592610 /nfs/dbraw/zinc/59/26/10/363592610.db2.gz BDSRRASTSABCPD-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC1CCC(NC(=O)CC(C)C)CC1 ZINC000055430361 388089604 /nfs/dbraw/zinc/08/96/04/388089604.db2.gz DJZILABEGNUFAI-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1CCC(NC(=O)C(C)(C)C)CC1 ZINC000055430390 323897417 /nfs/dbraw/zinc/89/74/17/323897417.db2.gz PZESKSGUOPIPOO-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1CCC(NC(=O)C2CCCC2)CC1 ZINC000055430424 359828867 /nfs/dbraw/zinc/82/88/67/359828867.db2.gz AVDTVASBHLJRGZ-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000055430636 363592805 /nfs/dbraw/zinc/59/28/05/363592805.db2.gz RZOHLTXPCPLIFH-UHFFFAOYSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC1CCC(NC(=O)[C@H]2CC=CCC2)CC1 ZINC000055430985 359828844 /nfs/dbraw/zinc/82/88/44/359828844.db2.gz QAYIIVLKFGTOQG-SLTAFYQDSA-N 0 0 249.398 3.818 20 0 BHADRN CCCC1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000055430990 363592745 /nfs/dbraw/zinc/59/27/45/363592745.db2.gz QAYIIVLKFGTOQG-SHARSMKWSA-N 0 0 249.398 3.818 20 0 BHADRN CCCC1CCC(NC(=O)C[C@H]2C=CCC2)CC1 ZINC000055431085 363592777 /nfs/dbraw/zinc/59/27/77/363592777.db2.gz YFXBPXBGMUSJQW-SLTAFYQDSA-N 0 0 249.398 3.818 20 0 BHADRN CCCC1CCC(NC(=O)C[C@@H]2C=CCC2)CC1 ZINC000055431088 363592664 /nfs/dbraw/zinc/59/26/64/363592664.db2.gz YFXBPXBGMUSJQW-SHARSMKWSA-N 0 0 249.398 3.818 20 0 BHADRN CCCC1CCC(NC(=O)c2ccoc2C)CC1 ZINC000055431186 358888366 /nfs/dbraw/zinc/88/83/66/358888366.db2.gz SXCMBZOXNYFVNB-UHFFFAOYSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC1CCC(NC(=O)c2occc2C)CC1 ZINC000055431375 323897551 /nfs/dbraw/zinc/89/75/51/323897551.db2.gz ZZHUZLOZXAFIPZ-UHFFFAOYSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC1CCC(NC(=O)[C@@H](C)CC)CC1 ZINC000055431846 323897891 /nfs/dbraw/zinc/89/78/91/323897891.db2.gz UXJXGSUCDGSAKT-HIFPTAJRSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1CCC(NC(=O)[C@H](C)CC)CC1 ZINC000055431851 388089420 /nfs/dbraw/zinc/08/94/20/388089420.db2.gz UXJXGSUCDGSAKT-PNESKVBLSA-N 0 0 225.376 3.508 20 0 BHADRN Cc1occc1CN(C)C(=O)CCC1CCCC1 ZINC000055460823 180540234 /nfs/dbraw/zinc/54/02/34/180540234.db2.gz XLBGIZZAZZWPLX-UHFFFAOYSA-N 0 0 249.354 3.517 20 0 BHADRN Cc1occc1CN(C)C(=O)CC1CCCCC1 ZINC000055461283 384884874 /nfs/dbraw/zinc/88/48/74/384884874.db2.gz HLQPATUVZHFIAN-UHFFFAOYSA-N 0 0 249.354 3.517 20 0 BHADRN CC(C)COc1cccc(NC(=O)CC(C)C)c1 ZINC000055467832 369251198 /nfs/dbraw/zinc/25/11/98/369251198.db2.gz UDZRXXQWGQRZHY-UHFFFAOYSA-N 0 0 249.354 3.706 20 0 BHADRN CC[C@@H](C)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000055468218 363592706 /nfs/dbraw/zinc/59/27/06/363592706.db2.gz BBCOBBPJJYSBRA-GFCCVEGCSA-N 0 0 249.354 3.706 20 0 BHADRN CC[C@H](C)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000055468219 363592112 /nfs/dbraw/zinc/59/21/12/363592112.db2.gz BBCOBBPJJYSBRA-LBPRGKRZSA-N 0 0 249.354 3.706 20 0 BHADRN CC(C)=CC(=O)Nc1cccc(OCC(C)C)c1 ZINC000055468264 643682502 /nfs/dbraw/zinc/68/25/02/643682502.db2.gz PGLXRORNUMJUOA-UHFFFAOYSA-N 0 0 247.338 3.626 20 0 BHADRN C[C@@H]1CCC[C@H](CNC(=O)C2CCCCC2)C1 ZINC000055478284 363593774 /nfs/dbraw/zinc/59/37/74/363593774.db2.gz GQFHYOJMSSZICF-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H]1CCC[C@H](CNC(=O)C2CCCCC2)C1 ZINC000055478295 363593731 /nfs/dbraw/zinc/59/37/31/363593731.db2.gz GQFHYOJMSSZICF-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H]1CCC[C@@H](CNC(=O)C2CCCCC2)C1 ZINC000055478297 363594058 /nfs/dbraw/zinc/59/40/58/363594058.db2.gz GQFHYOJMSSZICF-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H]1CCC[C@@H](CNC(=O)C2CCCCC2)C1 ZINC000055478299 363594066 /nfs/dbraw/zinc/59/40/66/363594066.db2.gz GQFHYOJMSSZICF-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1ccccc1C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000055478442 363593789 /nfs/dbraw/zinc/59/37/89/363593789.db2.gz SPQIBWOHGZBPJI-GXTWGEPZSA-N 0 0 245.366 3.551 20 0 BHADRN Cc1ccccc1C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000055478444 363594054 /nfs/dbraw/zinc/59/40/54/363594054.db2.gz SPQIBWOHGZBPJI-JSGCOSHPSA-N 0 0 245.366 3.551 20 0 BHADRN Cc1ccccc1C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000055478446 363593801 /nfs/dbraw/zinc/59/38/01/363593801.db2.gz SPQIBWOHGZBPJI-TZMCWYRMSA-N 0 0 245.366 3.551 20 0 BHADRN Cc1ccccc1C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000055478448 363593763 /nfs/dbraw/zinc/59/37/63/363593763.db2.gz SPQIBWOHGZBPJI-OCCSQVGLSA-N 0 0 245.366 3.551 20 0 BHADRN Cc1ccc(CNCc2ccc(Cl)s2)o1 ZINC000055483277 384744475 /nfs/dbraw/zinc/74/44/75/384744475.db2.gz NPMPQDSDWVODHO-UHFFFAOYSA-N 0 0 241.743 3.593 20 0 BHADRN CC1CCC(CNC(=O)C2CCCCC2)CC1 ZINC000055488617 363594011 /nfs/dbraw/zinc/59/40/11/363594011.db2.gz VDZUWEJNVQEXDG-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1ccccc1C(=O)NCC1CCC(C)CC1 ZINC000055488689 363593418 /nfs/dbraw/zinc/59/34/18/363593418.db2.gz TUTOLYGAMAGWFH-UHFFFAOYSA-N 0 0 245.366 3.551 20 0 BHADRN CCCCC[C@@H](C)NC(=O)Cc1ccc(C)cc1 ZINC000055489103 643706989 /nfs/dbraw/zinc/70/69/89/643706989.db2.gz SWEXRHODVCMPNH-CQSZACIVSA-N 0 0 247.382 3.623 20 0 BHADRN CCCCC[C@H](C)NC(=O)Cc1ccc(C)cc1 ZINC000055489105 640473215 /nfs/dbraw/zinc/47/32/15/640473215.db2.gz SWEXRHODVCMPNH-AWEZNQCLSA-N 0 0 247.382 3.623 20 0 BHADRN C=C(Cl)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506437 640475208 /nfs/dbraw/zinc/47/52/08/640475208.db2.gz YKSCSOTVAWMHLJ-CYBMUJFWSA-N 0 0 239.721 3.715 20 0 BHADRN C=C(Cl)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000055506440 640475239 /nfs/dbraw/zinc/47/52/39/640475239.db2.gz YKSCSOTVAWMHLJ-ZDUSSCGKSA-N 0 0 239.721 3.715 20 0 BHADRN CCCCc1ccc(C(=O)N(C)CC2CC2)cc1 ZINC000055520030 369267571 /nfs/dbraw/zinc/26/75/71/369267571.db2.gz FUVVSKXSSMIFBJ-UHFFFAOYSA-N 0 0 245.366 3.511 20 0 BHADRN CN(Cc1cccc2cccnc21)c1ccccc1 ZINC000055527340 363596086 /nfs/dbraw/zinc/59/60/86/363596086.db2.gz BCGFAMPOSXPOLL-UHFFFAOYSA-N 0 0 248.329 3.871 20 0 BHADRN CCCCC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000055599386 369307387 /nfs/dbraw/zinc/30/73/87/369307387.db2.gz RMTAUDZNPZZMEI-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000055599387 369306804 /nfs/dbraw/zinc/30/68/04/369306804.db2.gz RMTAUDZNPZZMEI-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CC(C)CC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000055599418 358889800 /nfs/dbraw/zinc/88/98/00/358889800.db2.gz GQEXGCGFKNLLRF-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)CC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000055599419 358889454 /nfs/dbraw/zinc/88/94/54/358889454.db2.gz GQEXGCGFKNLLRF-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN O=C(C1CCCC1)N1CCC[C@H]1C1CCCCC1 ZINC000055599480 363596412 /nfs/dbraw/zinc/59/64/12/363596412.db2.gz IAGORKFQPNFRTA-HNNXBMFYSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(C1CCCC1)N1CCC[C@@H]1C1CCCCC1 ZINC000055599481 363596420 /nfs/dbraw/zinc/59/64/20/363596420.db2.gz IAGORKFQPNFRTA-OAHLLOKOSA-N 0 0 249.398 3.748 20 0 BHADRN CC(C)=CC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000055600216 640482796 /nfs/dbraw/zinc/48/27/96/640482796.db2.gz FMAZOQKRAFHGPG-CQSZACIVSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)=CC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000055600217 640484568 /nfs/dbraw/zinc/48/45/68/640484568.db2.gz FMAZOQKRAFHGPG-AWEZNQCLSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCN(CC)C(=O)C=C1CCCCC1 ZINC000055602728 640483964 /nfs/dbraw/zinc/48/39/64/640483964.db2.gz CZZWIMUISSIBND-UHFFFAOYSA-N 0 0 223.360 3.526 20 0 BHADRN C[C@@H]1CCCC[C@@H]1NC(=O)C=C1CCCCC1 ZINC000055603007 636584729 /nfs/dbraw/zinc/58/47/29/636584729.db2.gz RBAPEGCTIFNVOC-OCCSQVGLSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@H]1CCCC[C@@H]1NC(=O)C=C1CCCCC1 ZINC000055603008 636584591 /nfs/dbraw/zinc/58/45/91/636584591.db2.gz RBAPEGCTIFNVOC-JSGCOSHPSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@@H]1CCCC[C@H]1NC(=O)C=C1CCCCC1 ZINC000055603009 640484712 /nfs/dbraw/zinc/48/47/12/640484712.db2.gz RBAPEGCTIFNVOC-TZMCWYRMSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@H]1CCCC[C@H]1NC(=O)C=C1CCCCC1 ZINC000055603010 640484815 /nfs/dbraw/zinc/48/48/15/640484815.db2.gz RBAPEGCTIFNVOC-GXTWGEPZSA-N 0 0 235.371 3.572 20 0 BHADRN CCC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 ZINC000055604847 363597636 /nfs/dbraw/zinc/59/76/36/363597636.db2.gz XNKVCRRWHGFYKX-NSHDSACASA-N 0 0 245.322 3.752 20 0 BHADRN CCC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 ZINC000055604848 363597586 /nfs/dbraw/zinc/59/75/86/363597586.db2.gz XNKVCRRWHGFYKX-LLVKDONJSA-N 0 0 245.322 3.752 20 0 BHADRN CCCCC(=O)Nc1ccc(C)cc1OCC ZINC000055616913 168626263 /nfs/dbraw/zinc/62/62/63/168626263.db2.gz ULOHBOATWOCABL-UHFFFAOYSA-N 0 0 235.327 3.522 20 0 BHADRN CCCCCC(=O)Nc1ccc(C)cc1OCC ZINC000055617005 369308660 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/nfs/dbraw/zinc/35/97/84/369359784.db2.gz QDBZCBNBJCWTBW-RYUDHWBXSA-N 0 0 221.319 3.619 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC000056996462 359608166 /nfs/dbraw/zinc/60/81/66/359608166.db2.gz NMRYJKZQKMUFRO-IUODEOHRSA-N 0 0 245.366 3.535 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC000056996463 359607773 /nfs/dbraw/zinc/60/77/73/359607773.db2.gz NMRYJKZQKMUFRO-SWLSCSKDSA-N 0 0 245.366 3.535 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@H]1CCc2cc(C)ccc21 ZINC000056996464 359607800 /nfs/dbraw/zinc/60/78/00/359607800.db2.gz NMRYJKZQKMUFRO-DOMZBBRYSA-N 0 0 245.366 3.535 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H]1CCc2cc(C)ccc21 ZINC000056996465 359608025 /nfs/dbraw/zinc/60/80/25/359608025.db2.gz NMRYJKZQKMUFRO-WFASDCNBSA-N 0 0 245.366 3.535 20 0 BHADRN CCCCN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000057026410 388459972 /nfs/dbraw/zinc/45/99/72/388459972.db2.gz PINTUDJBXLWFLQ-UHFFFAOYSA-N 0 0 247.382 3.856 20 0 BHADRN CCCCN(C)C(=O)c1ccc(C(C)C)cc1 ZINC000057026421 388459944 /nfs/dbraw/zinc/45/99/44/388459944.db2.gz IURSLOUCCVVHCX-UHFFFAOYSA-N 0 0 233.355 3.682 20 0 BHADRN CCCCN(C)C(=O)c1ccc2ccccc2c1 ZINC000057026424 168765504 /nfs/dbraw/zinc/76/55/04/168765504.db2.gz XNZZKQRYVHTRLW-UHFFFAOYSA-N 0 0 241.334 3.712 20 0 BHADRN CCCCN(C)C(=O)c1cccc2ccccc21 ZINC000057026480 368478151 /nfs/dbraw/zinc/47/81/51/368478151.db2.gz USARQKBJHSKDOL-UHFFFAOYSA-N 0 0 241.334 3.712 20 0 BHADRN CCCCN(C)C(=O)CCC1CCCCC1 ZINC000057026484 388459480 /nfs/dbraw/zinc/45/94/80/388459480.db2.gz JGNYOHALXVENBZ-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCN(C)C(=O)[C@@H](CCC)c1ccccc1 ZINC000057026547 388110453 /nfs/dbraw/zinc/11/04/53/388110453.db2.gz SQLWCPOTGOVNMS-HNNXBMFYSA-N 0 0 247.382 3.829 20 0 BHADRN CCCCN(C)C(=O)[C@H](CCC)c1ccccc1 ZINC000057026548 388109882 /nfs/dbraw/zinc/10/98/82/388109882.db2.gz SQLWCPOTGOVNMS-OAHLLOKOSA-N 0 0 247.382 3.829 20 0 BHADRN CCCCN(C)C(=O)c1oc2ccccc2c1C ZINC000057026589 168768138 /nfs/dbraw/zinc/76/81/38/168768138.db2.gz LKTZRQCNEBAJHI-UHFFFAOYSA-N 0 0 245.322 3.613 20 0 BHADRN CCCCCCNC(=O)c1cccc(C)c1C ZINC000057027138 640587912 /nfs/dbraw/zinc/58/79/12/640587912.db2.gz RPRSTRJUIFPSIY-UHFFFAOYSA-N 0 0 233.355 3.614 20 0 BHADRN CCCCCCNC(=O)c1cc(C)ccc1C ZINC000057027141 640588534 /nfs/dbraw/zinc/58/85/34/640588534.db2.gz XLXFMZAPUHDRRA-UHFFFAOYSA-N 0 0 233.355 3.614 20 0 BHADRN CCCCCCNC(=O)c1cc2ccccc2o1 ZINC000057027150 640588803 /nfs/dbraw/zinc/58/88/03/640588803.db2.gz DXIZJPHILAKSNA-UHFFFAOYSA-N 0 0 245.322 3.743 20 0 BHADRN CCCCCCNC(=O)c1ccc(C)cc1C ZINC000057027259 640588761 /nfs/dbraw/zinc/58/87/61/640588761.db2.gz FXHJFWJISJTZSP-UHFFFAOYSA-N 0 0 233.355 3.614 20 0 BHADRN CCCCCCNC(=O)C[C@@H](C)c1ccccc1 ZINC000057027274 640587867 /nfs/dbraw/zinc/58/78/67/640587867.db2.gz UPTQPFFZPFRPHX-CQSZACIVSA-N 0 0 247.382 3.877 20 0 BHADRN CCCCCCNC(=O)C[C@H](C)c1ccccc1 ZINC000057027275 640589036 /nfs/dbraw/zinc/58/90/36/640589036.db2.gz UPTQPFFZPFRPHX-AWEZNQCLSA-N 0 0 247.382 3.877 20 0 BHADRN Cc1ccc(CC(=O)Nc2cccc(C)c2)s1 ZINC000057033255 368479432 /nfs/dbraw/zinc/47/94/32/368479432.db2.gz WSKNJNSNEMDPMD-UHFFFAOYSA-N 0 0 245.347 3.546 20 0 BHADRN CCCCC(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000057069463 368480276 /nfs/dbraw/zinc/48/02/76/368480276.db2.gz DOXLKSFOVSKXEE-LBPRGKRZSA-N 0 0 249.354 3.993 20 0 BHADRN CCCCC(=O)Nc1cccc(O[C@H](C)CC)c1 ZINC000057069464 368480603 /nfs/dbraw/zinc/48/06/03/368480603.db2.gz DOXLKSFOVSKXEE-GFCCVEGCSA-N 0 0 249.354 3.993 20 0 BHADRN CCCC(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000057069465 388105078 /nfs/dbraw/zinc/10/50/78/388105078.db2.gz HCTNCLGAUZSNDE-NSHDSACASA-N 0 0 235.327 3.603 20 0 BHADRN CCCC(=O)Nc1cccc(O[C@H](C)CC)c1 ZINC000057069466 323911693 /nfs/dbraw/zinc/91/16/93/323911693.db2.gz HCTNCLGAUZSNDE-LLVKDONJSA-N 0 0 235.327 3.603 20 0 BHADRN CC[C@@H](C)Oc1cccc(NC(=O)C(C)(C)C)c1 ZINC000057069475 388105117 /nfs/dbraw/zinc/10/51/17/388105117.db2.gz ZQJWFIAOCKGFHO-LLVKDONJSA-N 0 0 249.354 3.849 20 0 BHADRN CC[C@H](C)Oc1cccc(NC(=O)C(C)(C)C)c1 ZINC000057069476 388105316 /nfs/dbraw/zinc/10/53/16/388105316.db2.gz ZQJWFIAOCKGFHO-NSHDSACASA-N 0 0 249.354 3.849 20 0 BHADRN CC[C@@H](C)Oc1cccc(NC(=O)CC(C)C)c1 ZINC000057069479 368480323 /nfs/dbraw/zinc/48/03/23/368480323.db2.gz FCIWNQKPWAVUFN-GFCCVEGCSA-N 0 0 249.354 3.849 20 0 BHADRN CC[C@H](C)Oc1cccc(NC(=O)CC(C)C)c1 ZINC000057069480 368479368 /nfs/dbraw/zinc/47/93/68/368479368.db2.gz FCIWNQKPWAVUFN-LBPRGKRZSA-N 0 0 249.354 3.849 20 0 BHADRN CC[C@@H](C)Oc1cccc(NC(=O)C2CCC2)c1 ZINC000057069509 535627111 /nfs/dbraw/zinc/62/71/11/535627111.db2.gz DTDXNQIUDVFYOT-LLVKDONJSA-N 0 0 247.338 3.603 20 0 BHADRN CC[C@H](C)Oc1cccc(NC(=O)C2CCC2)c1 ZINC000057069510 358902218 /nfs/dbraw/zinc/90/22/18/358902218.db2.gz DTDXNQIUDVFYOT-NSHDSACASA-N 0 0 247.338 3.603 20 0 BHADRN CC[C@@H](C)Oc1cccc(NC(=O)C=C(C)C)c1 ZINC000057069541 711826114 /nfs/dbraw/zinc/82/61/14/711826114.db2.gz QZVGFOZSNDLDRT-GFCCVEGCSA-N 0 0 247.338 3.769 20 0 BHADRN CC[C@H](C)Oc1cccc(NC(=O)C=C(C)C)c1 ZINC000057069542 711826166 /nfs/dbraw/zinc/82/61/66/711826166.db2.gz QZVGFOZSNDLDRT-LBPRGKRZSA-N 0 0 247.338 3.769 20 0 BHADRN CC[C@@H](C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000057070205 368480034 /nfs/dbraw/zinc/48/00/34/368480034.db2.gz BIDCPFGESGLICA-NEPJUHHUSA-N 0 0 249.354 3.849 20 0 BHADRN CC[C@H](C)Oc1cccc(NC(=O)[C@@H](C)CC)c1 ZINC000057070206 368480456 /nfs/dbraw/zinc/48/04/56/368480456.db2.gz BIDCPFGESGLICA-RYUDHWBXSA-N 0 0 249.354 3.849 20 0 BHADRN CC[C@@H](C)Oc1cccc(NC(=O)[C@H](C)CC)c1 ZINC000057070207 368480157 /nfs/dbraw/zinc/48/01/57/368480157.db2.gz BIDCPFGESGLICA-VXGBXAGGSA-N 0 0 249.354 3.849 20 0 BHADRN CC[C@@H](C)Oc1cccc(NC(=O)[C@@H](C)CC)c1 ZINC000057070208 368480756 /nfs/dbraw/zinc/48/07/56/368480756.db2.gz BIDCPFGESGLICA-NWDGAFQWSA-N 0 0 249.354 3.849 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000057071326 359886228 /nfs/dbraw/zinc/88/62/28/359886228.db2.gz ZVYXGWSTTGPTFP-NXEZZACHSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000057071329 368480551 /nfs/dbraw/zinc/48/05/51/368480551.db2.gz ZVYXGWSTTGPTFP-VHSXEESVSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000057071331 368480213 /nfs/dbraw/zinc/48/02/13/368480213.db2.gz ZVYXGWSTTGPTFP-ZJUUUORDSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000057071332 368480789 /nfs/dbraw/zinc/48/07/89/368480789.db2.gz ZVYXGWSTTGPTFP-UWVGGRQHSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1ccccc1Cl ZINC000057071376 323911965 /nfs/dbraw/zinc/91/19/65/323911965.db2.gz SEVPDENNYHCMKE-NXEZZACHSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1ccccc1Cl ZINC000057071377 388105461 /nfs/dbraw/zinc/10/54/61/388105461.db2.gz SEVPDENNYHCMKE-VHSXEESVSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1ccccc1Cl ZINC000057071379 323912201 /nfs/dbraw/zinc/91/22/01/323912201.db2.gz SEVPDENNYHCMKE-ZJUUUORDSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1ccccc1Cl ZINC000057071380 323912095 /nfs/dbraw/zinc/91/20/95/323912095.db2.gz SEVPDENNYHCMKE-UWVGGRQHSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)CCC1CCCC1 ZINC000057071530 323913109 /nfs/dbraw/zinc/91/31/09/323913109.db2.gz XGOCGDKPCVWHLU-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)CCC1CCCC1 ZINC000057071531 388105512 /nfs/dbraw/zinc/10/55/12/388105512.db2.gz XGOCGDKPCVWHLU-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)CCC1CCCC1 ZINC000057071532 388105821 /nfs/dbraw/zinc/10/58/21/388105821.db2.gz XGOCGDKPCVWHLU-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)CCC1CCCC1 ZINC000057071533 388105750 /nfs/dbraw/zinc/10/57/50/388105750.db2.gz XGOCGDKPCVWHLU-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC000057072217 359630778 /nfs/dbraw/zinc/63/07/78/359630778.db2.gz MKAZYHSACOVGOY-BFHYXJOUSA-N 0 0 247.382 3.731 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC000057072221 359630585 /nfs/dbraw/zinc/63/05/85/359630585.db2.gz MKAZYHSACOVGOY-MJBXVCDLSA-N 0 0 247.382 3.731 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000057072290 388106018 /nfs/dbraw/zinc/10/60/18/388106018.db2.gz XZZFSUULBUGZHA-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000057072293 388105140 /nfs/dbraw/zinc/10/51/40/388105140.db2.gz XZZFSUULBUGZHA-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)CC1CCCCC1 ZINC000057072295 323913103 /nfs/dbraw/zinc/91/31/03/323913103.db2.gz XZZFSUULBUGZHA-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)CC1CCCCC1 ZINC000057072297 388106584 /nfs/dbraw/zinc/10/65/84/388106584.db2.gz XZZFSUULBUGZHA-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)CCCc1ccccc1 ZINC000057072418 368481519 /nfs/dbraw/zinc/48/15/19/368481519.db2.gz XHICPHNCXLGEFO-ZIAGYGMSSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)CCCc1ccccc1 ZINC000057072419 368481387 /nfs/dbraw/zinc/48/13/87/368481387.db2.gz XHICPHNCXLGEFO-UONOGXRCSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)CCCc1ccccc1 ZINC000057072421 368481838 /nfs/dbraw/zinc/48/18/38/368481838.db2.gz XHICPHNCXLGEFO-KGLIPLIRSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)CCCc1ccccc1 ZINC000057072423 368481553 /nfs/dbraw/zinc/48/15/53/368481553.db2.gz XHICPHNCXLGEFO-KBPBESRZSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C)c(C)s1 ZINC000057072894 388107152 /nfs/dbraw/zinc/10/71/52/388107152.db2.gz FLWGRYOPOFGLGV-PSASIEDQSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1cc(C)c(C)s1 ZINC000057072897 388106591 /nfs/dbraw/zinc/10/65/91/388106591.db2.gz FLWGRYOPOFGLGV-WCBMZHEXSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1cc(C)c(C)s1 ZINC000057072899 323912721 /nfs/dbraw/zinc/91/27/21/323912721.db2.gz FLWGRYOPOFGLGV-SCZZXKLOSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1cc(C)c(C)s1 ZINC000057072901 388106456 /nfs/dbraw/zinc/10/64/56/388106456.db2.gz FLWGRYOPOFGLGV-WPRPVWTQSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1cc2ccccc2o1 ZINC000057076740 323913606 /nfs/dbraw/zinc/91/36/06/323913606.db2.gz JDRYVGSJRNYPJX-GHMZBOCLSA-N 0 0 245.322 3.597 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1cc2ccccc2o1 ZINC000057076741 388106307 /nfs/dbraw/zinc/10/63/07/388106307.db2.gz JDRYVGSJRNYPJX-WDEREUQCSA-N 0 0 245.322 3.597 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1cc2ccccc2o1 ZINC000057076743 323914214 /nfs/dbraw/zinc/91/42/14/323914214.db2.gz JDRYVGSJRNYPJX-MNOVXSKESA-N 0 0 245.322 3.597 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1cc2ccccc2o1 ZINC000057076744 388106674 /nfs/dbraw/zinc/10/66/74/388106674.db2.gz JDRYVGSJRNYPJX-QWRGUYRKSA-N 0 0 245.322 3.597 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C)sc1C ZINC000057076897 371744752 /nfs/dbraw/zinc/74/47/52/371744752.db2.gz IJKTVSWBPUPSNR-PSASIEDQSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1cc(C)sc1C ZINC000057076899 371744385 /nfs/dbraw/zinc/74/43/85/371744385.db2.gz IJKTVSWBPUPSNR-WCBMZHEXSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1cc(C)sc1C ZINC000057076900 371744680 /nfs/dbraw/zinc/74/46/80/371744680.db2.gz IJKTVSWBPUPSNR-SCZZXKLOSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1cc(C)sc1C ZINC000057076902 371744825 /nfs/dbraw/zinc/74/48/25/371744825.db2.gz IJKTVSWBPUPSNR-WPRPVWTQSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000057077683 368482410 /nfs/dbraw/zinc/48/24/10/368482410.db2.gz FCCIVWUKKDHPLU-NXEZZACHSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000057077685 368482372 /nfs/dbraw/zinc/48/23/72/368482372.db2.gz FCCIVWUKKDHPLU-VHSXEESVSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000057077686 368483065 /nfs/dbraw/zinc/48/30/65/368483065.db2.gz FCCIVWUKKDHPLU-ZJUUUORDSA-N 0 0 239.746 3.504 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000057077688 368483045 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0 0 248.376 3.708 20 0 BHADRN Cc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1 ZINC000059010725 352640790 /nfs/dbraw/zinc/64/07/90/352640790.db2.gz SLKIQDAUVJDWJN-AWEZNQCLSA-N 0 0 247.382 3.940 20 0 BHADRN Cc1cccc(C(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000059010945 372126858 /nfs/dbraw/zinc/12/68/58/372126858.db2.gz QOCLKRHPKWWGCW-AWEZNQCLSA-N 0 0 247.382 3.940 20 0 BHADRN Cc1cccc(C(=O)N[C@H](C)CCCC(C)C)c1 ZINC000059010947 372126661 /nfs/dbraw/zinc/12/66/61/372126661.db2.gz QOCLKRHPKWWGCW-CQSZACIVSA-N 0 0 247.382 3.940 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(CC)CCCC ZINC000059014123 324000733 /nfs/dbraw/zinc/00/07/33/324000733.db2.gz NAKKZJJNBCCMFF-CYBMUJFWSA-N 0 0 227.392 3.851 20 0 BHADRN CCCC[C@H](CC)C(=O)N(CC)CCCC ZINC000059014124 324000774 /nfs/dbraw/zinc/00/07/74/324000774.db2.gz NAKKZJJNBCCMFF-ZDUSSCGKSA-N 0 0 227.392 3.851 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)CC(C)(C)C ZINC000059014179 324000603 /nfs/dbraw/zinc/00/06/03/324000603.db2.gz DQEAPCBCRHZALM-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC[C@H](CC)CNC(=O)CC(C)(C)C ZINC000059014180 324001477 /nfs/dbraw/zinc/00/14/77/324001477.db2.gz DQEAPCBCRHZALM-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)CC(C)(C)C ZINC000059014181 641162502 /nfs/dbraw/zinc/16/25/02/641162502.db2.gz RYUDYOMRONRRRE-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)NC(=O)CC(C)(C)C ZINC000059014182 640773390 /nfs/dbraw/zinc/77/33/90/640773390.db2.gz RYUDYOMRONRRRE-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H](C)CCCC(C)C ZINC000059014187 324000625 /nfs/dbraw/zinc/00/06/25/324000625.db2.gz UAPQUUUAJMBPHN-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(C)(C)C(=O)N[C@H](C)CCCC(C)C ZINC000059014188 324000609 /nfs/dbraw/zinc/00/06/09/324000609.db2.gz UAPQUUUAJMBPHN-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000059014189 168266811 /nfs/dbraw/zinc/26/68/11/168266811.db2.gz FJFJZAFMDFNWJL-ZDUSSCGKSA-N 0 0 247.382 3.560 20 0 BHADRN CCC(C)(C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000059014190 168267918 /nfs/dbraw/zinc/26/79/18/168267918.db2.gz FJFJZAFMDFNWJL-CYBMUJFWSA-N 0 0 247.382 3.560 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)C(C)(C)CC ZINC000059014194 324000713 /nfs/dbraw/zinc/00/07/13/324000713.db2.gz CPFLVRIEVZRDJA-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC[C@H](CC)CNC(=O)C(C)(C)CC ZINC000059014195 324001323 /nfs/dbraw/zinc/00/13/23/324001323.db2.gz CPFLVRIEVZRDJA-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C(C)(C)CC ZINC000059014199 640774516 /nfs/dbraw/zinc/77/45/16/640774516.db2.gz GMYVIVSYBKMZQI-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C(C)(C)CC ZINC000059014200 640774135 /nfs/dbraw/zinc/77/41/35/640774135.db2.gz GMYVIVSYBKMZQI-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@@H](C)CCCC(C)C ZINC000059014233 324000981 /nfs/dbraw/zinc/00/09/81/324000981.db2.gz DTNYPNKCFTVTGT-OLZOCXBDSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H](C)CCCC(C)C ZINC000059014234 324000673 /nfs/dbraw/zinc/00/06/73/324000673.db2.gz DTNYPNKCFTVTGT-STQMWFEESA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@H](C)CCCC(C)C ZINC000059014235 324001245 /nfs/dbraw/zinc/00/12/45/324001245.db2.gz DTNYPNKCFTVTGT-CHWSQXEVSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H](C)CCCC(C)C ZINC000059014236 324000580 /nfs/dbraw/zinc/00/05/80/324000580.db2.gz DTNYPNKCFTVTGT-QWHCGFSZSA-N 0 0 227.392 3.754 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)[C@@H](C)CCC ZINC000059014241 324000643 /nfs/dbraw/zinc/00/06/43/324000643.db2.gz CXVTWJYJBLMKQT-QWHCGFSZSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@@H](C)CCC ZINC000059014242 324000599 /nfs/dbraw/zinc/00/05/99/324000599.db2.gz CXVTWJYJBLMKQT-STQMWFEESA-N 0 0 227.392 3.755 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)[C@H](C)CCC ZINC000059014243 324002178 /nfs/dbraw/zinc/00/21/78/324002178.db2.gz CXVTWJYJBLMKQT-CHWSQXEVSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@H](C)CCC ZINC000059014244 324002275 /nfs/dbraw/zinc/00/22/75/324002275.db2.gz CXVTWJYJBLMKQT-OLZOCXBDSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)[C@@H](C)CCC ZINC000059014245 640774045 /nfs/dbraw/zinc/77/40/45/640774045.db2.gz KTVLXRDWMZFICZ-QWHCGFSZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@@H](C)CCC ZINC000059014246 640774436 /nfs/dbraw/zinc/77/44/36/640774436.db2.gz KTVLXRDWMZFICZ-STQMWFEESA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)[C@H](C)CCC ZINC000059014247 640773601 /nfs/dbraw/zinc/77/36/01/640773601.db2.gz KTVLXRDWMZFICZ-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@H](C)CCC ZINC000059014248 640774291 /nfs/dbraw/zinc/77/42/91/640774291.db2.gz KTVLXRDWMZFICZ-OLZOCXBDSA-N 0 0 227.392 3.898 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)C1CCCCC1 ZINC000059014268 352647424 /nfs/dbraw/zinc/64/74/24/352647424.db2.gz MAWJWUHYPDSIKN-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)C1CCCCC1 ZINC000059014269 352647274 /nfs/dbraw/zinc/64/72/74/352647274.db2.gz MAWJWUHYPDSIKN-ZDUSSCGKSA-N 0 0 239.403 3.898 20 0 BHADRN CCN(C(=O)C1CCCCC1)C1CCCCC1 ZINC000059014323 411379105 /nfs/dbraw/zinc/37/91/05/411379105.db2.gz JVUOFMCFAHXBPY-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN Cc1cc(NC[C@@H]2CCCC[C@@H]2C)ccc1N ZINC000059040739 178164171 /nfs/dbraw/zinc/16/41/71/178164171.db2.gz MAKRIKBOYAAVLJ-AAEUAGOBSA-N 0 0 232.371 3.815 20 0 BHADRN Cc1cc(NC[C@H]2CCCC[C@@H]2C)ccc1N ZINC000059040741 178168666 /nfs/dbraw/zinc/16/86/66/178168666.db2.gz MAKRIKBOYAAVLJ-WCQYABFASA-N 0 0 232.371 3.815 20 0 BHADRN Cc1cc(NC[C@@H]2CCCC[C@H]2C)ccc1N ZINC000059040742 178164830 /nfs/dbraw/zinc/16/48/30/178164830.db2.gz MAKRIKBOYAAVLJ-YPMHNXCESA-N 0 0 232.371 3.815 20 0 BHADRN Cc1cc(NC[C@H]2CCCC[C@H]2C)ccc1N ZINC000059040744 178168250 /nfs/dbraw/zinc/16/82/50/178168250.db2.gz MAKRIKBOYAAVLJ-DGCLKSJQSA-N 0 0 232.371 3.815 20 0 BHADRN CCCCCCNC(=O)CCC(C)(C)C ZINC000059053983 640777824 /nfs/dbraw/zinc/77/78/24/640777824.db2.gz KDZBYOXCQPZANQ-UHFFFAOYSA-N 0 0 213.365 3.509 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000059119208 368529891 /nfs/dbraw/zinc/52/98/91/368529891.db2.gz RFAIPZXSHKGYJV-MRVPVSSYSA-N 0 0 243.709 3.854 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000059119209 368529917 /nfs/dbraw/zinc/52/99/17/368529917.db2.gz RFAIPZXSHKGYJV-QMMMGPOBSA-N 0 0 243.709 3.854 20 0 BHADRN CC(C)CCC(=O)Nc1ccc(Cl)c(F)c1 ZINC000059119219 368529840 /nfs/dbraw/zinc/52/98/40/368529840.db2.gz FKEPKCWNDXFHAB-UHFFFAOYSA-N 0 0 243.709 3.854 20 0 BHADRN CCCC[C@@H](CC)C(=O)NC(C)(C)CC ZINC000059132954 324003391 /nfs/dbraw/zinc/00/33/91/324003391.db2.gz RKEGXUACYSHOQJ-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CCCC[C@H](CC)C(=O)NC(C)(C)CC ZINC000059132955 324003284 /nfs/dbraw/zinc/00/32/84/324003284.db2.gz RKEGXUACYSHOQJ-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CCc1cccc(CC)c1NC(=O)[C@@H](C)CC ZINC000059132980 385040125 /nfs/dbraw/zinc/04/01/25/385040125.db2.gz QMEIVDWLKBDPBE-NSHDSACASA-N 0 0 233.355 3.796 20 0 BHADRN CCc1cccc(CC)c1NC(=O)[C@H](C)CC ZINC000059132981 191000792 /nfs/dbraw/zinc/00/07/92/191000792.db2.gz QMEIVDWLKBDPBE-LLVKDONJSA-N 0 0 233.355 3.796 20 0 BHADRN CC[C@@H](C)CSc1ccc(NC(C)=O)cc1 ZINC000059155443 324004179 /nfs/dbraw/zinc/00/41/79/324004179.db2.gz ZUOROGDLLPUMRV-SNVBAGLBSA-N 0 0 237.368 3.783 20 0 BHADRN CC[C@H](C)CSc1ccc(NC(C)=O)cc1 ZINC000059155446 324004808 /nfs/dbraw/zinc/00/48/08/324004808.db2.gz ZUOROGDLLPUMRV-JTQLQIEISA-N 0 0 237.368 3.783 20 0 BHADRN CCN(CC)c1cccc(OC2CCCC2)c1 ZINC000059159107 411415965 /nfs/dbraw/zinc/41/59/65/411415965.db2.gz NLUIMKRQKMUZRW-UHFFFAOYSA-N 0 0 233.355 3.854 20 0 BHADRN CCCCCC(=O)OCc1ccccc1C ZINC000059191467 643721395 /nfs/dbraw/zinc/72/13/95/643721395.db2.gz YIRWUGWBGCHXLZ-UHFFFAOYSA-N 0 0 220.312 3.619 20 0 BHADRN CCCOc1ccc(OC)c2ccccc12 ZINC000059208917 368529997 /nfs/dbraw/zinc/52/99/97/368529997.db2.gz JQULAJQSYMSRMC-UHFFFAOYSA-N 0 0 216.280 3.637 20 0 BHADRN CCCSc1nnc(SCCC)s1 ZINC000059218252 169342181 /nfs/dbraw/zinc/34/21/81/169342181.db2.gz GNRJMTQHJOURAR-UHFFFAOYSA-N 0 0 234.415 3.542 20 0 BHADRN CC(C)CN(CC(C)C)C(=O)CC(C)(C)C ZINC000059240370 166948615 /nfs/dbraw/zinc/94/86/15/166948615.db2.gz YCKJHECCQSEGCO-UHFFFAOYSA-N 0 0 227.392 3.563 20 0 BHADRN CCC[C@@H](C)C(=O)N(CC(C)C)CC(C)C ZINC000059240493 324005998 /nfs/dbraw/zinc/00/59/98/324005998.db2.gz XVKGTXGJHXNXDE-CYBMUJFWSA-N 0 0 227.392 3.563 20 0 BHADRN CCC[C@H](C)C(=O)N(CC(C)C)CC(C)C ZINC000059240495 324005896 /nfs/dbraw/zinc/00/58/96/324005896.db2.gz XVKGTXGJHXNXDE-ZDUSSCGKSA-N 0 0 227.392 3.563 20 0 BHADRN CCC(CC)C(=O)NC(C)(C)CC(C)(C)C ZINC000059240795 487955882 /nfs/dbraw/zinc/95/58/82/487955882.db2.gz VVOWAVWVDCGYAS-UHFFFAOYSA-N 0 0 227.392 3.754 20 0 BHADRN CC(C)=CC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000059251993 640801921 /nfs/dbraw/zinc/80/19/21/640801921.db2.gz LJSNMDPLXVMXJZ-MGPQQGTHSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)=CC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000059251994 640802059 /nfs/dbraw/zinc/80/20/59/640802059.db2.gz LJSNMDPLXVMXJZ-BFHYXJOUSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)=CC(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000059251995 640802764 /nfs/dbraw/zinc/80/27/64/640802764.db2.gz LJSNMDPLXVMXJZ-HZSPNIEDSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)=CC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000059251996 640802314 /nfs/dbraw/zinc/80/23/14/640802314.db2.gz LJSNMDPLXVMXJZ-MELADBBJSA-N 0 0 237.387 3.530 20 0 BHADRN c1coc(CSCc2ccccc2)c1 ZINC000059263312 385778121 /nfs/dbraw/zinc/77/81/21/385778121.db2.gz DRPAUYOEEPQIGO-UHFFFAOYSA-N 0 0 204.294 3.713 20 0 BHADRN CC(C)CCSc1nc2ccccc2n1C ZINC000059263543 324005745 /nfs/dbraw/zinc/00/57/45/324005745.db2.gz UAWSZZLNMSSECB-UHFFFAOYSA-N 0 0 234.368 3.712 20 0 BHADRN Cn1c2ccccc2nc1SC1CCCC1 ZINC000059263591 324005375 /nfs/dbraw/zinc/00/53/75/324005375.db2.gz JPHQURIQIMXFHJ-UHFFFAOYSA-N 0 0 232.352 3.608 20 0 BHADRN Cn1c2ccccc2nc1SC1CCCCC1 ZINC000059263593 349212079 /nfs/dbraw/zinc/21/20/79/349212079.db2.gz JLMSUYSCACGGJP-UHFFFAOYSA-N 0 0 246.379 3.998 20 0 BHADRN CCCCc1ccc(NC(=O)N(CC)CC)cc1 ZINC000059266434 384651759 /nfs/dbraw/zinc/65/17/59/384651759.db2.gz WTWSXNKNYSVCKZ-UHFFFAOYSA-N 0 0 248.370 3.903 20 0 BHADRN CCN(CC)C(=O)Nc1cccc(Cl)c1C ZINC000059266520 488062988 /nfs/dbraw/zinc/06/29/88/488062988.db2.gz GEUAOKNZZFMTLY-UHFFFAOYSA-N 0 0 240.734 3.522 20 0 BHADRN CC(C)Sc1nc2cc(Cl)ccc2n1C ZINC000059271162 167338514 /nfs/dbraw/zinc/33/85/14/167338514.db2.gz OKIJPRCGNOKLKR-UHFFFAOYSA-N 0 0 240.759 3.727 20 0 BHADRN Cc1cc(OC(=O)CC(C)C)cc(C)c1Cl ZINC000059281627 640802922 /nfs/dbraw/zinc/80/29/22/640802922.db2.gz SPIOFJSEJMSIKT-UHFFFAOYSA-N 0 0 240.730 3.908 20 0 BHADRN CC[C@@H](C)C(=O)Oc1cc(C)c(Cl)c(C)c1 ZINC000059281789 640801513 /nfs/dbraw/zinc/80/15/13/640801513.db2.gz ALOUSXMVHJPQAK-MRVPVSSYSA-N 0 0 240.730 3.908 20 0 BHADRN CC[C@H](C)C(=O)Oc1cc(C)c(Cl)c(C)c1 ZINC000059281793 640801931 /nfs/dbraw/zinc/80/19/31/640801931.db2.gz ALOUSXMVHJPQAK-QMMMGPOBSA-N 0 0 240.730 3.908 20 0 BHADRN CCC(C)(C)C(=O)NC1CCCCCCC1 ZINC000059289618 640801699 /nfs/dbraw/zinc/80/16/99/640801699.db2.gz FTFHGYHAMLAOPD-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000059289718 169350528 /nfs/dbraw/zinc/35/05/28/169350528.db2.gz FMWGBOXIVGROIJ-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H](C)C(=O)NC1CCCCCCC1 ZINC000059289720 640801634 /nfs/dbraw/zinc/80/16/34/640801634.db2.gz FMWGBOXIVGROIJ-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CCC(CC)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000059305392 368530872 /nfs/dbraw/zinc/53/08/72/368530872.db2.gz ACUJCUVRYGLHSX-UHFFFAOYSA-N 0 0 249.354 3.849 20 0 BHADRN Cc1ccccc1[C@@H](C)[NH2+]CCC(F)(F)F ZINC000059313258 179319588 /nfs/dbraw/zinc/31/95/88/179319588.db2.gz BGUCDVRQVJSZJU-SNVBAGLBSA-N 0 0 231.261 3.598 20 0 BHADRN CCCCNC(=O)c1ccccc1C(C)(C)C ZINC000059317454 324008024 /nfs/dbraw/zinc/00/80/24/324008024.db2.gz PWYKVYDTZCMJDP-UHFFFAOYSA-N 0 0 233.355 3.514 20 0 BHADRN CCCOc1ccc(Cl)cc1Cl ZINC000059327945 368531073 /nfs/dbraw/zinc/53/10/73/368531073.db2.gz YSTVONWNUGLKSC-UHFFFAOYSA-N 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C[C@@H](OC(=O)[C@@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000060585600 640870888 /nfs/dbraw/zinc/87/08/88/640870888.db2.gz NYOJHKAYADBLOF-KBVBSXBZSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@H](OC(=O)C1CCC1)c1cccc(Cl)c1 ZINC000060593067 640870324 /nfs/dbraw/zinc/87/03/24/640870324.db2.gz XSSKQPVMBUIQJO-VIFPVBQESA-N 0 0 238.714 3.744 20 0 BHADRN Cc1ccc2oc(C(=O)OCC(C)C)cc2c1 ZINC000060598686 640872240 /nfs/dbraw/zinc/87/22/40/640872240.db2.gz BAZGROAFLLULAC-UHFFFAOYSA-N 0 0 232.279 3.554 20 0 BHADRN CCCCCC(=O)N1C[C@H](C)c2ccccc21 ZINC000060599079 358928390 /nfs/dbraw/zinc/92/83/90/358928390.db2.gz KQFSZBOGEKZIIV-LBPRGKRZSA-N 0 0 231.339 3.717 20 0 BHADRN C[C@H]1CN(C(=O)C2CCCCC2)c2ccccc21 ZINC000060599081 411177181 /nfs/dbraw/zinc/17/71/81/411177181.db2.gz TVJLJSYQHKBMTB-LBPRGKRZSA-N 0 0 243.350 3.717 20 0 BHADRN C[C@H]1CN(C(=O)CC(C)(C)C)c2ccccc21 ZINC000060599221 134794601 /nfs/dbraw/zinc/79/46/01/134794601.db2.gz MLZMGVFFIGOTCC-NSHDSACASA-N 0 0 231.339 3.573 20 0 BHADRN C[C@H]1CN(C(=O)c2cccs2)c2ccccc21 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384751295 /nfs/dbraw/zinc/75/12/95/384751295.db2.gz VRJRILDDLCVMLC-SSDOTTSWSA-N 0 0 217.234 3.562 20 0 BHADRN CC[C@H](C)CNc1cc(F)c(F)cc1F ZINC000061093299 322858569 /nfs/dbraw/zinc/85/85/69/322858569.db2.gz VRJRILDDLCVMLC-ZETCQYMHSA-N 0 0 217.234 3.562 20 0 BHADRN Fc1cc(F)c(F)c(NCc2ccccc2)c1 ZINC000061095345 384265301 /nfs/dbraw/zinc/26/53/01/384265301.db2.gz SPOXZTLUNCXBNL-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN CC(C)CCNc1cc(F)cc(F)c1F ZINC000061095349 322858468 /nfs/dbraw/zinc/85/84/68/322858468.db2.gz QCMWHZRGNPVFPH-UHFFFAOYSA-N 0 0 217.234 3.562 20 0 BHADRN CC[C@@H](C)CNc1cc(F)cc(F)c1F ZINC000061095674 384750616 /nfs/dbraw/zinc/75/06/16/384750616.db2.gz LTVXCNAFDOKFNM-SSDOTTSWSA-N 0 0 217.234 3.562 20 0 BHADRN CC[C@H](C)CNc1cc(F)cc(F)c1F ZINC000061095675 384750862 /nfs/dbraw/zinc/75/08/62/384750862.db2.gz LTVXCNAFDOKFNM-ZETCQYMHSA-N 0 0 217.234 3.562 20 0 BHADRN Fc1cc(NCc2ccccc2)cc(F)c1F ZINC000061095802 384750172 /nfs/dbraw/zinc/75/01/72/384750172.db2.gz 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Fc1cc(NCC2CCCC2)cc(F)c1F ZINC000061096578 384752135 /nfs/dbraw/zinc/75/21/35/384752135.db2.gz QHTSRIOMLZFHIO-UHFFFAOYSA-N 0 0 229.245 3.706 20 0 BHADRN Cc1cc(NCc2ccccc2F)ccc1F ZINC000061096744 178172889 /nfs/dbraw/zinc/17/28/89/178172889.db2.gz JOQNGUAYHZBKIE-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1cc(NCc2ccccc2)ccc1F ZINC000061096755 322858460 /nfs/dbraw/zinc/85/84/60/322858460.db2.gz CMOMMJUDZXJQPG-UHFFFAOYSA-N 0 0 215.271 3.746 20 0 BHADRN Cc1cc(NCc2cccc(F)c2)ccc1F ZINC000061096797 178173775 /nfs/dbraw/zinc/17/37/75/178173775.db2.gz DXTCNEMDTKPZDK-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1cc(NCc2ccc(F)cc2)ccc1F ZINC000061096817 384751011 /nfs/dbraw/zinc/75/10/11/384751011.db2.gz UCAHBUNDJABMGJ-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN COc1cccc(CNc2ccc(F)c(C)c2)c1 ZINC000061096867 322858639 /nfs/dbraw/zinc/85/86/39/322858639.db2.gz SCJOLTKZRUEJKX-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(CNc2ccc(F)c(C)c2)cc1 ZINC000061096882 322858618 /nfs/dbraw/zinc/85/86/18/322858618.db2.gz KONIKSUJTZZBRZ-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN Cc1cc(NCc2ccsc2)ccc1F ZINC000061097138 178175574 /nfs/dbraw/zinc/17/55/74/178175574.db2.gz FMPLZZAQBJGYLG-UHFFFAOYSA-N 0 0 221.300 3.808 20 0 BHADRN Cc1cc(NCCOc2ccccc2)ccc1F ZINC000061097682 322858598 /nfs/dbraw/zinc/85/85/98/322858598.db2.gz BVRQKRIOWHMNEI-UHFFFAOYSA-N 0 0 245.297 3.625 20 0 BHADRN COc1ccccc1CNc1ccc(F)c(C)c1 ZINC000061097714 322858706 /nfs/dbraw/zinc/85/87/06/322858706.db2.gz INQSDRVZIFZYLG-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN CC(C)(C)CNc1cc(F)c(F)c(F)c1 ZINC000061099747 322858630 /nfs/dbraw/zinc/85/86/30/322858630.db2.gz UGPJDRGGTDVOCT-UHFFFAOYSA-N 0 0 217.234 3.562 20 0 BHADRN CCCCCOC(=O)c1c[nH]c2ccccc21 ZINC000061100026 640922277 /nfs/dbraw/zinc/92/22/77/640922277.db2.gz COOGMZZVXXAKKV-UHFFFAOYSA-N 0 0 231.295 3.515 20 0 BHADRN COc1ccc(C)cc1COc1ccccc1F ZINC000061111290 344853484 /nfs/dbraw/zinc/85/34/84/344853484.db2.gz MZYQERXZWTZTGT-UHFFFAOYSA-N 0 0 246.281 3.722 20 0 BHADRN Cc1ccc(CNc2cc(F)c(F)c(F)c2)o1 ZINC000061115991 387842286 /nfs/dbraw/zinc/84/22/86/387842286.db2.gz AKBVBJAQDBWJJN-UHFFFAOYSA-N 0 0 241.212 3.617 20 0 BHADRN CCn1cc([C@@H](C)Nc2ccc(F)c(C)c2)cn1 ZINC000061116686 172194971 /nfs/dbraw/zinc/19/49/71/172194971.db2.gz IYOUASSMLOYCLR-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1cc([C@H](C)Nc2ccc(F)c(C)c2)cn1 ZINC000061116688 172199280 /nfs/dbraw/zinc/19/92/80/172199280.db2.gz IYOUASSMLOYCLR-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCc1ccc(CNc2ccc(F)c(C)c2)o1 ZINC000061116752 384751063 /nfs/dbraw/zinc/75/10/63/384751063.db2.gz LTRBDTJOTJZRAL-UHFFFAOYSA-N 0 0 233.286 3.902 20 0 BHADRN Cc1nc(CNc2ccc(F)c(C)c2)cs1 ZINC000061117265 385109932 /nfs/dbraw/zinc/10/99/32/385109932.db2.gz MMBKNNRIXFHXDO-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Cc1cc(NCc2ccc(Cl)o2)ccc1F ZINC000061117336 322858537 /nfs/dbraw/zinc/85/85/37/322858537.db2.gz GCIINHDXAGKPRX-UHFFFAOYSA-N 0 0 239.677 3.993 20 0 BHADRN Cc1ncc(CNc2ccc(F)c(C)c2)s1 ZINC000061117367 180160591 /nfs/dbraw/zinc/16/05/91/180160591.db2.gz MGQHQCCTFWIBIU-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Cc1ccc(CNc2ccc(F)c(C)c2)o1 ZINC000061117441 134795770 /nfs/dbraw/zinc/79/57/70/134795770.db2.gz SJKUPSFUZMVUHK-UHFFFAOYSA-N 0 0 219.259 3.648 20 0 BHADRN Cc1cc(N[C@@H](C)c2ccccn2)ccc1F ZINC000061117471 134795367 /nfs/dbraw/zinc/79/53/67/134795367.db2.gz ONRFLIIIOVLCKA-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cc(N[C@H](C)c2ccccn2)ccc1F ZINC000061117473 358932060 /nfs/dbraw/zinc/93/20/60/358932060.db2.gz ONRFLIIIOVLCKA-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN CCCCCOC(=O)c1cccc2ncccc21 ZINC000061117495 640927338 /nfs/dbraw/zinc/92/73/38/640927338.db2.gz DTWFFKOUOFCBRZ-UHFFFAOYSA-N 0 0 243.306 3.582 20 0 BHADRN Cc1cc(N[C@@H](C)c2ccncc2)ccc1F ZINC000061117570 178181278 /nfs/dbraw/zinc/18/12/78/178181278.db2.gz QQMBVWQOEIHJAU-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cc(N[C@H](C)c2ccncc2)ccc1F ZINC000061117572 178187993 /nfs/dbraw/zinc/18/79/93/178187993.db2.gz QQMBVWQOEIHJAU-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cc(N[C@@H](C)c2cccnc2)ccc1F ZINC000061117573 134795347 /nfs/dbraw/zinc/79/53/47/134795347.db2.gz XTPQUJZXFHEOLF-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cc(N[C@H](C)c2cccnc2)ccc1F ZINC000061117575 358931980 /nfs/dbraw/zinc/93/19/80/358931980.db2.gz XTPQUJZXFHEOLF-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cc(N[C@@H](C)c2ccco2)ccc1F ZINC000061117607 322941721 /nfs/dbraw/zinc/94/17/21/322941721.db2.gz CTLKKRMBFAJJMJ-JTQLQIEISA-N 0 0 219.259 3.900 20 0 BHADRN Cc1cc(N[C@H](C)c2ccco2)ccc1F ZINC000061117609 322858593 /nfs/dbraw/zinc/85/85/93/322858593.db2.gz CTLKKRMBFAJJMJ-SNVBAGLBSA-N 0 0 219.259 3.900 20 0 BHADRN Cc1cc(NC(C2CC2)C2CC2)ccc1F ZINC000061117611 349363504 /nfs/dbraw/zinc/36/35/04/349363504.db2.gz RBWUSMSHBDGUES-UHFFFAOYSA-N 0 0 219.303 3.735 20 0 BHADRN c1ccc(NCc2cccc3cnccc32)cc1 ZINC000061124774 487606493 /nfs/dbraw/zinc/60/64/93/487606493.db2.gz RJXVRISBSJRUEB-UHFFFAOYSA-N 0 0 234.302 3.847 20 0 BHADRN CCCSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000061142857 487661929 /nfs/dbraw/zinc/66/19/29/487661929.db2.gz VCIJBHRAJNUCPM-UHFFFAOYSA-N 0 0 236.315 3.718 20 0 BHADRN CCc1ccc(C(=O)OCc2ccccc2)s1 ZINC000061154311 640930298 /nfs/dbraw/zinc/93/02/98/640930298.db2.gz IXHOAAOEOWFUNQ-UHFFFAOYSA-N 0 0 246.331 3.668 20 0 BHADRN CC(C)c1nc(CN(C(C)C)C2CC2)cs1 ZINC000061165944 324059598 /nfs/dbraw/zinc/05/95/98/324059598.db2.gz UVJXJCNWQAPGSW-UHFFFAOYSA-N 0 0 238.400 3.639 20 0 BHADRN Cc1ccc(SCCNc2ccccn2)cc1 ZINC000061173112 343723503 /nfs/dbraw/zinc/72/35/03/343723503.db2.gz SWBVHLBIBKFVMW-UHFFFAOYSA-N 0 0 244.363 3.594 20 0 BHADRN COc1ccc(C)cc1[C@@H](C)Nc1ccccn1 ZINC000061173369 368561097 /nfs/dbraw/zinc/56/10/97/368561097.db2.gz HYCNWVIORBKIAE-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN CCC(C)(C)C1CCC(Nc2ncccn2)CC1 ZINC000061174075 368561108 /nfs/dbraw/zinc/56/11/08/368561108.db2.gz QLFKIESPMKZBCV-UHFFFAOYSA-N 0 0 247.386 3.884 20 0 BHADRN COc1ccc(/C=C/C(=O)C2CCCCC2)cc1 ZINC000061174693 640933121 /nfs/dbraw/zinc/93/31/21/640933121.db2.gz MEAYFHYSHHNIKB-FMIVXFBMSA-N 0 0 244.334 3.858 20 0 BHADRN O=C(/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000061174706 368335277 /nfs/dbraw/zinc/33/52/77/368335277.db2.gz QCHWJOPNIQKQNG-DHZHZOJOSA-N 0 0 232.298 3.988 20 0 BHADRN O=C(/C=C/c1ccccc1F)C1CCCCC1 ZINC000061174731 640933066 /nfs/dbraw/zinc/93/30/66/640933066.db2.gz RWQLGUBSCHKMJD-ZHACJKMWSA-N 0 0 232.298 3.988 20 0 BHADRN O=C(/C=C/c1cccc(F)c1)C1CCCCC1 ZINC000061174734 640932939 /nfs/dbraw/zinc/93/29/39/640932939.db2.gz HRCJTNNRPHDOKW-MDZDMXLPSA-N 0 0 232.298 3.988 20 0 BHADRN CCCc1ccc([C@@H](NC(=O)CC)C(C)C)cc1 ZINC000061225413 360299954 /nfs/dbraw/zinc/29/99/54/360299954.db2.gz HECNPBYQWSWDMZ-INIZCTEOSA-N 0 0 247.382 3.862 20 0 BHADRN CC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000061238339 360300813 /nfs/dbraw/zinc/30/08/13/360300813.db2.gz GANSONRXTUFPBM-HNNXBMFYSA-N 0 0 247.382 3.817 20 0 BHADRN CCCCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000061239843 368560294 /nfs/dbraw/zinc/56/02/94/368560294.db2.gz KYPRGMUJAXFZNN-OAHLLOKOSA-N 0 0 233.355 3.690 20 0 BHADRN CC(C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000061239913 368560864 /nfs/dbraw/zinc/56/08/64/368560864.db2.gz AGYIODJTDJVYPS-OAHLLOKOSA-N 0 0 233.355 3.546 20 0 BHADRN CC(C)[C@@H](NC(=O)CC(C)(C)C)c1ccccc1 ZINC000061239920 368561127 /nfs/dbraw/zinc/56/11/27/368561127.db2.gz IHAUPTYEIUNQBK-OAHLLOKOSA-N 0 0 247.382 3.936 20 0 BHADRN CC(C)CCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000061240076 368560930 /nfs/dbraw/zinc/56/09/30/368560930.db2.gz NCNZLWDWWLOAQC-MRXNPFEDSA-N 0 0 247.382 3.936 20 0 BHADRN CCCCCOC(=O)c1ccc2cc[nH]c2c1 ZINC000061249651 641184191 /nfs/dbraw/zinc/18/41/91/641184191.db2.gz RDQVZRVMRSCJKK-UHFFFAOYSA-N 0 0 231.295 3.515 20 0 BHADRN C=C(Cl)CN(CC)Cc1cccc(Cl)c1 ZINC000061254403 640943314 /nfs/dbraw/zinc/94/33/14/640943314.db2.gz NUBXWWSNJBANFF-UHFFFAOYSA-N 0 0 244.165 3.914 20 0 BHADRN Clc1ccc(OCc2ccno2)c(Cl)c1 ZINC000061264297 344899488 /nfs/dbraw/zinc/89/94/88/344899488.db2.gz ZFYBMLGBIGDIAK-UHFFFAOYSA-N 0 0 244.077 3.560 20 0 BHADRN CC(C)CCC[C@@H](C)Nc1ncnc2c1CCC2 ZINC000061277126 322858641 /nfs/dbraw/zinc/85/86/41/322858641.db2.gz XKGNDUPDSQEILG-GFCCVEGCSA-N 0 0 247.386 3.592 20 0 BHADRN CC(C)CCC[C@H](C)Nc1ncnc2c1CCC2 ZINC000061277128 322858595 /nfs/dbraw/zinc/85/85/95/322858595.db2.gz XKGNDUPDSQEILG-LBPRGKRZSA-N 0 0 247.386 3.592 20 0 BHADRN CCCCCC[C@@H](C)Nc1ncnc2c1CCC2 ZINC000061277151 640948087 /nfs/dbraw/zinc/94/80/87/640948087.db2.gz QLNDSIPHVRVSBR-GFCCVEGCSA-N 0 0 247.386 3.736 20 0 BHADRN CCCCCC[C@H](C)Nc1ncnc2c1CCC2 ZINC000061277153 640948279 /nfs/dbraw/zinc/94/82/79/640948279.db2.gz QLNDSIPHVRVSBR-LBPRGKRZSA-N 0 0 247.386 3.736 20 0 BHADRN CC(C)(C)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000061283547 368561111 /nfs/dbraw/zinc/56/11/11/368561111.db2.gz BDBBQVHCTSTYKM-UHFFFAOYSA-N 0 0 249.423 3.533 20 0 BHADRN CCCCSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000061325871 360336977 /nfs/dbraw/zinc/33/69/77/360336977.db2.gz ROMNCERCHFSNAL-UHFFFAOYSA-N 0 0 247.367 3.672 20 0 BHADRN CC(C)(C)C(=O)OCc1ccc(F)cc1Cl ZINC000061354477 640953941 /nfs/dbraw/zinc/95/39/41/640953941.db2.gz RJPGOHAKSPFHAU-UHFFFAOYSA-N 0 0 244.693 3.568 20 0 BHADRN CC(C)(C)C(=O)OCc1cccc2ccccc21 ZINC000061354541 643796753 /nfs/dbraw/zinc/79/67/53/643796753.db2.gz NPZJDWAPUODSLQ-UHFFFAOYSA-N 0 0 242.318 3.929 20 0 BHADRN CC(C)(C)C(=O)OCc1c(F)cccc1Cl ZINC000061354551 640953823 /nfs/dbraw/zinc/95/38/23/640953823.db2.gz LVSVHXXQVXMYNV-UHFFFAOYSA-N 0 0 244.693 3.568 20 0 BHADRN C[C@H](NCc1ccc(Cl)o1)c1ccsc1 ZINC000061361177 487471386 /nfs/dbraw/zinc/47/13/86/487471386.db2.gz VIJHNEKLEJXYQT-QMMMGPOBSA-N 0 0 241.743 3.845 20 0 BHADRN C[C@@H](NCc1ccc(Cl)o1)c1ccsc1 ZINC000061361178 487471222 /nfs/dbraw/zinc/47/12/22/487471222.db2.gz VIJHNEKLEJXYQT-MRVPVSSYSA-N 0 0 241.743 3.845 20 0 BHADRN Cc1cccc(N[C@@H]2CCCc3sccc32)n1 ZINC000061364067 179155402 /nfs/dbraw/zinc/15/54/02/179155402.db2.gz NDRILFFDXLZFCS-GFCCVEGCSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1cccc(N[C@H]2CCCc3sccc32)n1 ZINC000061364068 179157151 /nfs/dbraw/zinc/15/71/51/179157151.db2.gz NDRILFFDXLZFCS-LBPRGKRZSA-N 0 0 244.363 3.941 20 0 BHADRN Fc1cccnc1N[C@@H]1CCCc2sccc21 ZINC000061364110 181016724 /nfs/dbraw/zinc/01/67/24/181016724.db2.gz MBGULYAZXQSLEN-LLVKDONJSA-N 0 0 248.326 3.772 20 0 BHADRN Fc1cccnc1N[C@H]1CCCc2sccc21 ZINC000061364111 181016677 /nfs/dbraw/zinc/01/66/77/181016677.db2.gz MBGULYAZXQSLEN-NSHDSACASA-N 0 0 248.326 3.772 20 0 BHADRN Fc1ccc(N[C@@H]2CCCc3sccc32)nc1 ZINC000061364164 385112493 /nfs/dbraw/zinc/11/24/93/385112493.db2.gz OSJIPRVHJZJDRC-LLVKDONJSA-N 0 0 248.326 3.772 20 0 BHADRN Fc1ccc(N[C@H]2CCCc3sccc32)nc1 ZINC000061364165 385112617 /nfs/dbraw/zinc/11/26/17/385112617.db2.gz OSJIPRVHJZJDRC-NSHDSACASA-N 0 0 248.326 3.772 20 0 BHADRN Cc1ccnc(N[C@@H]2CCCc3sccc32)c1 ZINC000061364183 386454392 /nfs/dbraw/zinc/45/43/92/386454392.db2.gz RWCREVINCOEGDA-GFCCVEGCSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1ccnc(N[C@H]2CCCc3sccc32)c1 ZINC000061364184 386453895 /nfs/dbraw/zinc/45/38/95/386453895.db2.gz RWCREVINCOEGDA-LBPRGKRZSA-N 0 0 244.363 3.941 20 0 BHADRN c1cc2c(s1)CCC[C@H]2Nc1ccccn1 ZINC000061364199 385111836 /nfs/dbraw/zinc/11/18/36/385111836.db2.gz LEUOINBCUVYFNW-LLVKDONJSA-N 0 0 230.336 3.633 20 0 BHADRN c1cc2c(s1)CCC[C@@H]2Nc1ccccn1 ZINC000061364200 385113554 /nfs/dbraw/zinc/11/35/54/385113554.db2.gz LEUOINBCUVYFNW-NSHDSACASA-N 0 0 230.336 3.633 20 0 BHADRN c1csc(N[C@@H]2CCCc3sccc32)n1 ZINC000061364330 640955506 /nfs/dbraw/zinc/95/55/06/640955506.db2.gz ALUHVZNNXGPXNZ-SECBINFHSA-N 0 0 236.365 3.694 20 0 BHADRN c1csc(N[C@H]2CCCc3sccc32)n1 ZINC000061364332 635455058 /nfs/dbraw/zinc/45/50/58/635455058.db2.gz ALUHVZNNXGPXNZ-VIFPVBQESA-N 0 0 236.365 3.694 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccsc2)n1 ZINC000061364372 179153501 /nfs/dbraw/zinc/15/35/01/179153501.db2.gz AMJHNAAXMLUJCW-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccsc2)n1 ZINC000061364381 179155725 /nfs/dbraw/zinc/15/57/25/179155725.db2.gz AMJHNAAXMLUJCW-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN CC(C)c1cc(N[C@@H](C)c2ccsc2)ncn1 ZINC000061364480 487473261 /nfs/dbraw/zinc/47/32/61/487473261.db2.gz QYROTSTYRXTJFO-JTQLQIEISA-N 0 0 247.367 3.835 20 0 BHADRN CC(C)c1cc(N[C@H](C)c2ccsc2)ncn1 ZINC000061364481 487473216 /nfs/dbraw/zinc/47/32/16/487473216.db2.gz QYROTSTYRXTJFO-SNVBAGLBSA-N 0 0 247.367 3.835 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2ccsc2)c1 ZINC000061364501 179455080 /nfs/dbraw/zinc/45/50/80/179455080.db2.gz PEXQYJXEAVGQOO-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccnc(N[C@H](C)c2ccsc2)c1 ZINC000061364502 386513564 /nfs/dbraw/zinc/51/35/64/386513564.db2.gz PEXQYJXEAVGQOO-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN C[C@H](Nc1ccc(Cl)cn1)c1ccsc1 ZINC000061364694 188128424 /nfs/dbraw/zinc/12/84/24/188128424.db2.gz CGKRMFZNPHXUIF-QMMMGPOBSA-N 0 0 238.743 3.970 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cn1)c1ccsc1 ZINC000061364696 175930922 /nfs/dbraw/zinc/93/09/22/175930922.db2.gz CGKRMFZNPHXUIF-MRVPVSSYSA-N 0 0 238.743 3.970 20 0 BHADRN C[C@H](Nc1nc2ccccc2[nH]1)c1ccsc1 ZINC000061364704 487473258 /nfs/dbraw/zinc/47/32/58/487473258.db2.gz ZMAPBBWKAPJMCT-VIFPVBQESA-N 0 0 243.335 3.798 20 0 BHADRN C[C@@H](Nc1nc2ccccc2[nH]1)c1ccsc1 ZINC000061364705 487473104 /nfs/dbraw/zinc/47/31/04/487473104.db2.gz ZMAPBBWKAPJMCT-SECBINFHSA-N 0 0 243.335 3.798 20 0 BHADRN C[C@H](Nc1ncccc1Cl)c1ccsc1 ZINC000061364722 487473111 /nfs/dbraw/zinc/47/31/11/487473111.db2.gz YYTOAPHZMQZGOF-QMMMGPOBSA-N 0 0 238.743 3.970 20 0 BHADRN C[C@@H](Nc1ncccc1Cl)c1ccsc1 ZINC000061364724 487473180 /nfs/dbraw/zinc/47/31/80/487473180.db2.gz YYTOAPHZMQZGOF-MRVPVSSYSA-N 0 0 238.743 3.970 20 0 BHADRN Fc1cccc(N[C@@H]2CCCc3sccc32)n1 ZINC000061370892 181001505 /nfs/dbraw/zinc/00/15/05/181001505.db2.gz VHQBLKRVIMTQPH-SNVBAGLBSA-N 0 0 248.326 3.772 20 0 BHADRN Fc1cccc(N[C@H]2CCCc3sccc32)n1 ZINC000061370895 181003072 /nfs/dbraw/zinc/00/30/72/181003072.db2.gz VHQBLKRVIMTQPH-JTQLQIEISA-N 0 0 248.326 3.772 20 0 BHADRN CCCCSc1ncc(-c2ccccc2)n1C ZINC000061392095 640958748 /nfs/dbraw/zinc/95/87/48/640958748.db2.gz YJFGLYBAKSBSFJ-UHFFFAOYSA-N 0 0 246.379 3.979 20 0 BHADRN c1ccc2[nH]c(-c3ccc4ncccc4c3)nc2c1 ZINC000061415667 384756288 /nfs/dbraw/zinc/75/62/88/384756288.db2.gz KTYPSHPKHBORMQ-UHFFFAOYSA-N 0 0 245.285 3.778 20 0 BHADRN O=C(C[C@H]1C=CCC1)NC1CCCCCCC1 ZINC000061475973 711838547 /nfs/dbraw/zinc/83/85/47/711838547.db2.gz JWHADTZRZYMDTA-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN CCOC(=O)C1(c2cccc(C)c2)CCCCC1 ZINC000061504438 368563283 /nfs/dbraw/zinc/56/32/83/368563283.db2.gz ADRORFUGMSXKSQ-UHFFFAOYSA-N 0 0 246.350 3.760 20 0 BHADRN CCCC(=O)NC1CCC(C(C)(C)CC)CC1 ZINC000061544139 324082933 /nfs/dbraw/zinc/08/29/33/324082933.db2.gz LZISWEXDGOYKSP-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN Clc1ccc(CSC2CCCC2)cn1 ZINC000061547577 344961318 /nfs/dbraw/zinc/96/13/18/344961318.db2.gz ODUROFRSCOVOMY-UHFFFAOYSA-N 0 0 227.760 3.911 20 0 BHADRN Fc1cccc(N2CCC3(CCCCC3)CC2)n1 ZINC000061559580 132239425 /nfs/dbraw/zinc/23/94/25/132239425.db2.gz WEJCTJYCHZWEFJ-UHFFFAOYSA-N 0 0 248.345 3.771 20 0 BHADRN COc1ccc(NC2CCCCC2)c(C)c1 ZINC000061565272 641187627 /nfs/dbraw/zinc/18/76/27/641187627.db2.gz NUKOSEGEEOZTPF-UHFFFAOYSA-N 0 0 219.328 3.748 20 0 BHADRN COc1ccc(NCc2ccc(F)cc2)c(C)c1 ZINC000061565346 640971515 /nfs/dbraw/zinc/97/15/15/640971515.db2.gz LPADSGXQEHEADW-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(NCc2cccc(F)c2)c(C)c1 ZINC000061565389 175152678 /nfs/dbraw/zinc/15/26/78/175152678.db2.gz XFIOIUWLUVUUBW-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(NCc2ccccc2C)c(C)c1 ZINC000061565395 175152439 /nfs/dbraw/zinc/15/24/39/175152439.db2.gz SVRKHXUNBBNRAY-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(NCc2ccc(C)cc2)c(C)c1 ZINC000061565398 640971864 /nfs/dbraw/zinc/97/18/64/640971864.db2.gz BIRMQVGQQYYCIZ-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(NCc2cccc(C)c2)c(C)c1 ZINC000061565399 640971005 /nfs/dbraw/zinc/97/10/05/640971005.db2.gz QAOMBGZPWVDVGI-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(NCCc2ccccc2)c(C)c1 ZINC000061565465 640970903 /nfs/dbraw/zinc/97/09/03/640970903.db2.gz YBUFSZUJYXWJDU-UHFFFAOYSA-N 0 0 241.334 3.658 20 0 BHADRN COc1ccc(NCc2cccs2)c(C)c1 ZINC000061565468 640971339 /nfs/dbraw/zinc/97/13/39/640971339.db2.gz CVWMPYWTZBPXQF-UHFFFAOYSA-N 0 0 233.336 3.677 20 0 BHADRN COc1ccc(NCc2ccc(C)o2)c(C)c1 ZINC000061565485 175151814 /nfs/dbraw/zinc/15/18/14/175151814.db2.gz PCRLLLMEFHOALK-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN COc1ccc(NCc2sccc2C)c(C)c1 ZINC000061565492 640971180 /nfs/dbraw/zinc/97/11/80/640971180.db2.gz OVYPMEVTHOKKDW-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1ccc(NCc2ccsc2)c(C)c1 ZINC000061565494 640971769 /nfs/dbraw/zinc/97/17/69/640971769.db2.gz GWXOYHHCZYGRQT-UHFFFAOYSA-N 0 0 233.336 3.677 20 0 BHADRN COc1ccc(N[C@@H](C)c2ccccn2)c(C)c1 ZINC000061565542 175153712 /nfs/dbraw/zinc/15/37/12/175153712.db2.gz STJLQEQJBFWPGE-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@H](C)c2ccccn2)c(C)c1 ZINC000061565543 175154866 /nfs/dbraw/zinc/15/48/66/175154866.db2.gz STJLQEQJBFWPGE-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@@H](C)c2ccncc2)c(C)c1 ZINC000061565674 175154012 /nfs/dbraw/zinc/15/40/12/175154012.db2.gz IUIUNDOSZIXGME-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@H](C)c2ccncc2)c(C)c1 ZINC000061565675 175155246 /nfs/dbraw/zinc/15/52/46/175155246.db2.gz IUIUNDOSZIXGME-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@@H](C)c2cccnc2)c(C)c1 ZINC000061565682 175154100 /nfs/dbraw/zinc/15/41/00/175154100.db2.gz PBAPKYRGRRKABJ-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@H](C)c2cccnc2)c(C)c1 ZINC000061565684 175154499 /nfs/dbraw/zinc/15/44/99/175154499.db2.gz PBAPKYRGRRKABJ-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@@H](C)c2ccco2)c(C)c1 ZINC000061565737 175153893 /nfs/dbraw/zinc/15/38/93/175153893.db2.gz ZKGQMUSJZYSJKG-NSHDSACASA-N 0 0 231.295 3.770 20 0 BHADRN COc1ccc(N[C@H](C)c2ccco2)c(C)c1 ZINC000061565738 175154934 /nfs/dbraw/zinc/15/49/34/175154934.db2.gz ZKGQMUSJZYSJKG-LLVKDONJSA-N 0 0 231.295 3.770 20 0 BHADRN COc1ccc(NCc2ccccc2F)c(C)c1 ZINC000061565888 175152288 /nfs/dbraw/zinc/15/22/88/175152288.db2.gz OKAYSIPZYMECPP-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(NCc2ccccc2)c(C)c1 ZINC000061565951 344970896 /nfs/dbraw/zinc/97/08/96/344970896.db2.gz LXJHXCVKBFVIAM-UHFFFAOYSA-N 0 0 227.307 3.616 20 0 BHADRN CCCCCNc1ccc(OC)cc1C ZINC000061566021 385123509 /nfs/dbraw/zinc/12/35/09/385123509.db2.gz LOFOLCXEBAVIHZ-UHFFFAOYSA-N 0 0 207.317 3.606 20 0 BHADRN COc1ccc(NC[C@H]2CC=CCC2)c(C)c1 ZINC000061566088 640971783 /nfs/dbraw/zinc/97/17/83/640971783.db2.gz WAEFYKATOSPYNC-ZDUSSCGKSA-N 0 0 231.339 3.772 20 0 BHADRN COc1ccc(NC[C@@H]2CC=CCC2)c(C)c1 ZINC000061566090 640971333 /nfs/dbraw/zinc/97/13/33/640971333.db2.gz WAEFYKATOSPYNC-CYBMUJFWSA-N 0 0 231.339 3.772 20 0 BHADRN COc1ccc(NCc2ccc(C)s2)c(C)c1 ZINC000061566100 640971452 /nfs/dbraw/zinc/97/14/52/640971452.db2.gz APYTURYFJPPXHM-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1ccc(NCC2CCCC2)c(C)c1 ZINC000061566677 641187504 /nfs/dbraw/zinc/18/75/04/641187504.db2.gz ZZIALNIZZKUTKG-UHFFFAOYSA-N 0 0 219.328 3.606 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H]1CCCSC1 ZINC000061570548 385121853 /nfs/dbraw/zinc/12/18/53/385121853.db2.gz FBNDINRCUUYXRS-LLVKDONJSA-N 0 0 241.787 3.956 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H]1CCCSC1 ZINC000061570550 385123405 /nfs/dbraw/zinc/12/34/05/385123405.db2.gz FBNDINRCUUYXRS-NSHDSACASA-N 0 0 241.787 3.956 20 0 BHADRN Cc1ccc(N[C@@H]2CCCSC2)c(C)c1 ZINC000061570569 385122515 /nfs/dbraw/zinc/12/25/15/385122515.db2.gz GRMWSSOROZDTRM-GFCCVEGCSA-N 0 0 221.369 3.611 20 0 BHADRN Cc1ccc(N[C@H]2CCCSC2)c(C)c1 ZINC000061570571 178778189 /nfs/dbraw/zinc/77/81/89/178778189.db2.gz GRMWSSOROZDTRM-LBPRGKRZSA-N 0 0 221.369 3.611 20 0 BHADRN CSc1cccc(N[C@@H]2CCCSC2)c1 ZINC000061570680 385121736 /nfs/dbraw/zinc/12/17/36/385121736.db2.gz ZSFHTDZXGYKPGM-LLVKDONJSA-N 0 0 239.409 3.716 20 0 BHADRN CSc1cccc(N[C@H]2CCCSC2)c1 ZINC000061570681 385122902 /nfs/dbraw/zinc/12/29/02/385122902.db2.gz ZSFHTDZXGYKPGM-NSHDSACASA-N 0 0 239.409 3.716 20 0 BHADRN Cc1ccc(N[C@@H]2CCCSC2)cc1Cl ZINC000061570683 385123347 /nfs/dbraw/zinc/12/33/47/385123347.db2.gz GXKDTSBJWDGYBS-LLVKDONJSA-N 0 0 241.787 3.956 20 0 BHADRN Cc1ccc(N[C@H]2CCCSC2)cc1Cl ZINC000061570684 385121977 /nfs/dbraw/zinc/12/19/77/385121977.db2.gz GXKDTSBJWDGYBS-NSHDSACASA-N 0 0 241.787 3.956 20 0 BHADRN c1cnc2c(c1)cccc2N[C@@H]1CCCSC1 ZINC000061570772 183485819 /nfs/dbraw/zinc/48/58/19/183485819.db2.gz UTHNPKBBPUQQMK-GFCCVEGCSA-N 0 0 244.363 3.542 20 0 BHADRN c1cnc2c(c1)cccc2N[C@H]1CCCSC1 ZINC000061570779 183486094 /nfs/dbraw/zinc/48/60/94/183486094.db2.gz UTHNPKBBPUQQMK-LBPRGKRZSA-N 0 0 244.363 3.542 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H]1CCCSC1 ZINC000061570852 385123745 /nfs/dbraw/zinc/12/37/45/385123745.db2.gz ZZHWTNPAVQJNSO-SNVBAGLBSA-N 0 0 241.787 3.956 20 0 BHADRN Cc1c(Cl)cccc1N[C@H]1CCCSC1 ZINC000061570853 385122580 /nfs/dbraw/zinc/12/25/80/385122580.db2.gz ZZHWTNPAVQJNSO-JTQLQIEISA-N 0 0 241.787 3.956 20 0 BHADRN c1cc2c(c(N[C@@H]3CCCSC3)c1)CCCC2 ZINC000061570889 322858833 /nfs/dbraw/zinc/85/88/33/322858833.db2.gz ZXUAZIPXUXJMBA-CYBMUJFWSA-N 0 0 247.407 3.873 20 0 BHADRN c1cc2c(c(N[C@H]3CCCSC3)c1)CCCC2 ZINC000061570890 322858828 /nfs/dbraw/zinc/85/88/28/322858828.db2.gz ZXUAZIPXUXJMBA-ZDUSSCGKSA-N 0 0 247.407 3.873 20 0 BHADRN CSc1ccc(N[C@@H]2CCCSC2)cc1 ZINC000061570900 385123048 /nfs/dbraw/zinc/12/30/48/385123048.db2.gz YUFYTJOSFVRNEJ-LLVKDONJSA-N 0 0 239.409 3.716 20 0 BHADRN CSc1ccc(N[C@H]2CCCSC2)cc1 ZINC000061570912 385123734 /nfs/dbraw/zinc/12/37/34/385123734.db2.gz YUFYTJOSFVRNEJ-NSHDSACASA-N 0 0 239.409 3.716 20 0 BHADRN c1cnc2cccc(N[C@@H]3CCCSC3)c2c1 ZINC000061570936 322858968 /nfs/dbraw/zinc/85/89/68/322858968.db2.gz DZDKBJLTLMEGGS-LLVKDONJSA-N 0 0 244.363 3.542 20 0 BHADRN c1cnc2cccc(N[C@H]3CCCSC3)c2c1 ZINC000061570937 384754309 /nfs/dbraw/zinc/75/43/09/384754309.db2.gz DZDKBJLTLMEGGS-NSHDSACASA-N 0 0 244.363 3.542 20 0 BHADRN Cc1ccc(N[C@@H]2CCCSC2)cc1C ZINC000061571220 178772786 /nfs/dbraw/zinc/77/27/86/178772786.db2.gz AECAIRZQYPLQBP-CYBMUJFWSA-N 0 0 221.369 3.611 20 0 BHADRN Cc1ccc(N[C@H]2CCCSC2)cc1C ZINC000061571222 385121743 /nfs/dbraw/zinc/12/17/43/385121743.db2.gz AECAIRZQYPLQBP-ZDUSSCGKSA-N 0 0 221.369 3.611 20 0 BHADRN Clc1cccc(N[C@@H]2CCCSC2)c1 ZINC000061571224 385122117 /nfs/dbraw/zinc/12/21/17/385122117.db2.gz QMHAGSCWNVLFKS-LLVKDONJSA-N 0 0 227.760 3.648 20 0 BHADRN Clc1cccc(N[C@H]2CCCSC2)c1 ZINC000061571226 385123455 /nfs/dbraw/zinc/12/34/55/385123455.db2.gz QMHAGSCWNVLFKS-NSHDSACASA-N 0 0 227.760 3.648 20 0 BHADRN Clc1ccc(N[C@@H]2CCCSC2)cc1 ZINC000061571234 180583664 /nfs/dbraw/zinc/58/36/64/180583664.db2.gz AEQWZBOQLZSTBG-LLVKDONJSA-N 0 0 227.760 3.648 20 0 BHADRN Clc1ccc(N[C@H]2CCCSC2)cc1 ZINC000061571236 180583476 /nfs/dbraw/zinc/58/34/76/180583476.db2.gz AEQWZBOQLZSTBG-NSHDSACASA-N 0 0 227.760 3.648 20 0 BHADRN Clc1ccccc1N[C@@H]1CCCSC1 ZINC000061571269 385122330 /nfs/dbraw/zinc/12/23/30/385122330.db2.gz AZVDPFSUIPCMIA-SECBINFHSA-N 0 0 227.760 3.648 20 0 BHADRN Clc1ccccc1N[C@H]1CCCSC1 ZINC000061571272 180596381 /nfs/dbraw/zinc/59/63/81/180596381.db2.gz AZVDPFSUIPCMIA-VIFPVBQESA-N 0 0 227.760 3.648 20 0 BHADRN Cc1cc(C)cc(N[C@@H]2CCCSC2)c1 ZINC000061571338 385123543 /nfs/dbraw/zinc/12/35/43/385123543.db2.gz FPEZVDHFCSYUIG-GFCCVEGCSA-N 0 0 221.369 3.611 20 0 BHADRN Cc1cc(C)cc(N[C@H]2CCCSC2)c1 ZINC000061571341 385123180 /nfs/dbraw/zinc/12/31/80/385123180.db2.gz FPEZVDHFCSYUIG-LBPRGKRZSA-N 0 0 221.369 3.611 20 0 BHADRN CCc1ccc(N[C@@H]2CCCSC2)cc1 ZINC000061571353 385123355 /nfs/dbraw/zinc/12/33/55/385123355.db2.gz BZPQIRARSXIVOB-CYBMUJFWSA-N 0 0 221.369 3.557 20 0 BHADRN CCc1ccc(N[C@H]2CCCSC2)cc1 ZINC000061571355 385122110 /nfs/dbraw/zinc/12/21/10/385122110.db2.gz BZPQIRARSXIVOB-ZDUSSCGKSA-N 0 0 221.369 3.557 20 0 BHADRN CCc1ccccc1N[C@@H]1CCCSC1 ZINC000061571362 171889683 /nfs/dbraw/zinc/88/96/83/171889683.db2.gz ZBHVULDEEUZWQD-GFCCVEGCSA-N 0 0 221.369 3.557 20 0 BHADRN CCc1ccccc1N[C@H]1CCCSC1 ZINC000061571367 385123583 /nfs/dbraw/zinc/12/35/83/385123583.db2.gz ZBHVULDEEUZWQD-LBPRGKRZSA-N 0 0 221.369 3.557 20 0 BHADRN CCc1cccc(N[C@@H]2CCCSC2)c1 ZINC000061571390 385122769 /nfs/dbraw/zinc/12/27/69/385122769.db2.gz QNZCIHAHVMBFQS-CYBMUJFWSA-N 0 0 221.369 3.557 20 0 BHADRN CCc1cccc(N[C@H]2CCCSC2)c1 ZINC000061571392 171863022 /nfs/dbraw/zinc/86/30/22/171863022.db2.gz QNZCIHAHVMBFQS-ZDUSSCGKSA-N 0 0 221.369 3.557 20 0 BHADRN Cc1cccc(N[C@@H]2CCCSC2)c1C ZINC000061571422 179155385 /nfs/dbraw/zinc/15/53/85/179155385.db2.gz RURKNKOHSBEHBI-GFCCVEGCSA-N 0 0 221.369 3.611 20 0 BHADRN Cc1cccc(N[C@H]2CCCSC2)c1C ZINC000061571424 179157919 /nfs/dbraw/zinc/15/79/19/179157919.db2.gz RURKNKOHSBEHBI-LBPRGKRZSA-N 0 0 221.369 3.611 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H]1CCCSC1 ZINC000061571517 178068783 /nfs/dbraw/zinc/06/87/83/178068783.db2.gz KGLMRKWLMPECSR-LLVKDONJSA-N 0 0 241.787 3.956 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H]1CCCSC1 ZINC000061571522 178068757 /nfs/dbraw/zinc/06/87/57/178068757.db2.gz KGLMRKWLMPECSR-NSHDSACASA-N 0 0 241.787 3.956 20 0 BHADRN Fc1ccc(N[C@@H]2CCCSC2)cc1Cl ZINC000061572423 385122282 /nfs/dbraw/zinc/12/22/82/385122282.db2.gz OSGILMVZNFNKBE-SECBINFHSA-N 0 0 245.750 3.787 20 0 BHADRN Fc1ccc(N[C@H]2CCCSC2)cc1Cl ZINC000061572426 385121906 /nfs/dbraw/zinc/12/19/06/385121906.db2.gz OSGILMVZNFNKBE-VIFPVBQESA-N 0 0 245.750 3.787 20 0 BHADRN Cc1ccc(N[C@@H]2CCCSC2)c(Cl)c1 ZINC000061572452 385123394 /nfs/dbraw/zinc/12/33/94/385123394.db2.gz RIJAGUGWGZKIKF-SNVBAGLBSA-N 0 0 241.787 3.956 20 0 BHADRN Cc1ccc(N[C@H]2CCCSC2)c(Cl)c1 ZINC000061572454 385121886 /nfs/dbraw/zinc/12/18/86/385121886.db2.gz RIJAGUGWGZKIKF-JTQLQIEISA-N 0 0 241.787 3.956 20 0 BHADRN CSc1ccccc1N[C@@H]1CCCSC1 ZINC000061574996 385122531 /nfs/dbraw/zinc/12/25/31/385122531.db2.gz HJQHLFKFZUDSAS-SNVBAGLBSA-N 0 0 239.409 3.716 20 0 BHADRN CSc1ccccc1N[C@H]1CCCSC1 ZINC000061575000 385122153 /nfs/dbraw/zinc/12/21/53/385122153.db2.gz HJQHLFKFZUDSAS-JTQLQIEISA-N 0 0 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385126298 /nfs/dbraw/zinc/12/62/98/385126298.db2.gz KXJSCUGDDZEHRR-ZDUSSCGKSA-N 0 0 244.363 3.542 20 0 BHADRN CCN(Cc1nc(Cl)ccc1Cl)C(C)C ZINC000061630385 350520616 /nfs/dbraw/zinc/52/06/16/350520616.db2.gz KCNSGLCMUIBWJY-UHFFFAOYSA-N 0 0 247.169 3.619 20 0 BHADRN CCCN(CC)Cc1nc(Cl)ccc1Cl ZINC000061630389 711759219 /nfs/dbraw/zinc/75/92/19/711759219.db2.gz VQMAHZUAEFKDJK-UHFFFAOYSA-N 0 0 247.169 3.620 20 0 BHADRN CCSCc1nc(Cl)ccc1Cl ZINC000061640125 384590113 /nfs/dbraw/zinc/59/01/13/384590113.db2.gz IDEJKLLQUJBTIQ-UHFFFAOYSA-N 0 0 222.140 3.642 20 0 BHADRN Cc1ccc(CNc2cnn(C(C)C)c2)c(C)c1 ZINC000061682373 349384615 /nfs/dbraw/zinc/38/46/15/349384615.db2.gz SSLSAVXSPDYOHC-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN CC(C)n1cc(NCc2ccccc2Cl)cn1 ZINC000061682378 385132114 /nfs/dbraw/zinc/13/21/14/385132114.db2.gz OEUYIAMWLIHARA-UHFFFAOYSA-N 0 0 249.745 3.730 20 0 BHADRN CC(C)n1cc(NCc2ccc(Cl)cc2)cn1 ZINC000061682382 349384736 /nfs/dbraw/zinc/38/47/36/349384736.db2.gz SPQUCWGJPPGZPN-UHFFFAOYSA-N 0 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CC(C)n1cc(N[C@@H](C)c2ccc(F)cc2)cn1 ZINC000061682623 349384723 /nfs/dbraw/zinc/38/47/23/349384723.db2.gz USVMNVZNHRKEOK-NSHDSACASA-N 0 0 247.317 3.776 20 0 BHADRN CC(C)n1cc(N[C@H](C)c2ccc(F)cc2)cn1 ZINC000061682624 349384329 /nfs/dbraw/zinc/38/43/29/349384329.db2.gz USVMNVZNHRKEOK-LLVKDONJSA-N 0 0 247.317 3.776 20 0 BHADRN CC(C)n1cc(N[C@@H]2CCc3ccccc32)cn1 ZINC000061682636 487478109 /nfs/dbraw/zinc/47/81/09/487478109.db2.gz UVLUJYNXCLXNSS-OAHLLOKOSA-N 0 0 241.338 3.563 20 0 BHADRN CC(C)n1cc(N[C@H]2CCc3ccccc32)cn1 ZINC000061682637 487477974 /nfs/dbraw/zinc/47/79/74/487477974.db2.gz UVLUJYNXCLXNSS-HNNXBMFYSA-N 0 0 241.338 3.563 20 0 BHADRN CC(C)n1cc(N[C@@H](C)c2ccccc2)cn1 ZINC000061682640 167754006 /nfs/dbraw/zinc/75/40/06/167754006.db2.gz OZPMLIARXOQZAD-LBPRGKRZSA-N 0 0 229.327 3.637 20 0 BHADRN CC(C)n1cc(N[C@H](C)c2ccccc2)cn1 ZINC000061682641 167754596 /nfs/dbraw/zinc/75/45/96/167754596.db2.gz OZPMLIARXOQZAD-GFCCVEGCSA-N 0 0 229.327 3.637 20 0 BHADRN CC(C)n1cc(N[C@@H](C)c2cccc(F)c2)cn1 ZINC000061682709 385745340 /nfs/dbraw/zinc/74/53/40/385745340.db2.gz MISZDKJSRRHONV-NSHDSACASA-N 0 0 247.317 3.776 20 0 BHADRN CC(C)n1cc(N[C@H](C)c2cccc(F)c2)cn1 ZINC000061682710 385745247 /nfs/dbraw/zinc/74/52/47/385745247.db2.gz MISZDKJSRRHONV-LLVKDONJSA-N 0 0 247.317 3.776 20 0 BHADRN CC(C)n1cc(NC[C@@H](C)c2ccccc2)cn1 ZINC000061682785 349384312 /nfs/dbraw/zinc/38/43/12/349384312.db2.gz CVZAAUYQUXQRGJ-CYBMUJFWSA-N 0 0 243.354 3.680 20 0 BHADRN CC(C)n1cc(NC[C@H](C)c2ccccc2)cn1 ZINC000061682786 349384727 /nfs/dbraw/zinc/38/47/27/349384727.db2.gz CVZAAUYQUXQRGJ-ZDUSSCGKSA-N 0 0 243.354 3.680 20 0 BHADRN Cc1cccc([C@@H](C)Nc2cnn(C(C)C)c2)c1 ZINC000061683035 343046195 /nfs/dbraw/zinc/04/61/95/343046195.db2.gz CDYHHFQSTDBDKS-CYBMUJFWSA-N 0 0 243.354 3.946 20 0 BHADRN Cc1cccc([C@H](C)Nc2cnn(C(C)C)c2)c1 ZINC000061683036 343046148 /nfs/dbraw/zinc/04/61/48/343046148.db2.gz CDYHHFQSTDBDKS-ZDUSSCGKSA-N 0 0 243.354 3.946 20 0 BHADRN Cc1ccc(CNc2cnn(C(C)C)c2)cc1C ZINC000061683067 349388087 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ACSBPBNPKTWHTK-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN Cc1cc(CNc2cnn(C(C)C)c2)c(C)s1 ZINC000061683277 349388109 /nfs/dbraw/zinc/38/81/09/349388109.db2.gz ORBJBNQKCLXZHH-UHFFFAOYSA-N 0 0 249.383 3.754 20 0 BHADRN CC(C)Nc1cc(Br)ccc1Cl ZINC000061690815 167141823 /nfs/dbraw/zinc/14/18/23/167141823.db2.gz IBMWNOSOTDIIFM-UHFFFAOYSA-N 0 0 248.551 3.923 20 0 BHADRN CCNc1cc(Br)ccc1Cl ZINC000061690822 170171547 /nfs/dbraw/zinc/17/15/47/170171547.db2.gz AITCPXNEPIPDSD-UHFFFAOYSA-N 0 0 234.524 3.534 20 0 BHADRN CNc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000061714314 386546065 /nfs/dbraw/zinc/54/60/65/386546065.db2.gz IVDCNYONAMLEIO-UHFFFAOYSA-N 0 0 242.706 3.644 20 0 BHADRN CCNc1nc2c(s1)CCCc1ccccc1-2 ZINC000061714354 343908121 /nfs/dbraw/zinc/90/81/21/343908121.db2.gz AXJRICBRTANIDU-UHFFFAOYSA-N 0 0 244.363 3.731 20 0 BHADRN CCCNc1nc(-c2ccco2)c(C)s1 ZINC000061714448 350528789 /nfs/dbraw/zinc/52/87/89/350528789.db2.gz SIEAGSBBLDVSGU-UHFFFAOYSA-N 0 0 222.313 3.533 20 0 BHADRN CCCNc1nc(C2CCCC2)cs1 ZINC000061714450 535206707 /nfs/dbraw/zinc/20/67/07/535206707.db2.gz LKZKCXQMLPRLQO-UHFFFAOYSA-N 0 0 210.346 3.623 20 0 BHADRN Cc1sc(NC(C)C)nc1-c1ccco1 ZINC000061714509 180557930 /nfs/dbraw/zinc/55/79/30/180557930.db2.gz RNSQGQAHFAQVIV-UHFFFAOYSA-N 0 0 222.313 3.532 20 0 BHADRN CC(C)Nc1nc(C2CCCC2)cs1 ZINC000061714511 167150052 /nfs/dbraw/zinc/15/00/52/167150052.db2.gz IVCAHPMNRWTNEA-UHFFFAOYSA-N 0 0 210.346 3.621 20 0 BHADRN COc1ccc(C)cc1CN(C)c1ccccc1 ZINC000061745073 369833659 /nfs/dbraw/zinc/83/36/59/369833659.db2.gz CUBAJAPHZPHWAP-UHFFFAOYSA-N 0 0 241.334 3.640 20 0 BHADRN CN(CCCOc1ccccc1)c1ccccc1 ZINC000061745074 388644210 /nfs/dbraw/zinc/64/42/10/388644210.db2.gz WIZLDNWXOVOCEI-UHFFFAOYSA-N 0 0 241.334 3.592 20 0 BHADRN Cc1cccc(CN(C)c2ccccc2)c1 ZINC000061745091 369833167 /nfs/dbraw/zinc/83/31/67/369833167.db2.gz KQIVGXPXAMXNPN-UHFFFAOYSA-N 0 0 211.308 3.631 20 0 BHADRN CN(Cc1ccsc1)Cc1ccccc1F ZINC000061800366 387267684 /nfs/dbraw/zinc/26/76/84/387267684.db2.gz 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/nfs/dbraw/zinc/49/43/66/386494366.db2.gz KUNJKBVEJBNSPV-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN Cc1ccnc(N[C@H](C)c2cccc(Cl)c2)n1 ZINC000061859130 179459394 /nfs/dbraw/zinc/45/93/94/179459394.db2.gz NDMWHSQNHYYWST-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN CCCCCC[C@@H](C)Nc1nccc(C)n1 ZINC000061859264 386494442 /nfs/dbraw/zinc/49/44/42/386494442.db2.gz ASVZGLLEYDURPJ-LLVKDONJSA-N 0 0 221.348 3.556 20 0 BHADRN CCCCCC[C@H](C)Nc1nccc(C)n1 ZINC000061859265 386493020 /nfs/dbraw/zinc/49/30/20/386493020.db2.gz ASVZGLLEYDURPJ-NSHDSACASA-N 0 0 221.348 3.556 20 0 BHADRN Cc1cc([C@H](C)Nc2nccc(C)n2)c(C)s1 ZINC000061859288 385142416 /nfs/dbraw/zinc/14/24/16/385142416.db2.gz PLURICOYAXQJPD-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cc([C@@H](C)Nc2nccc(C)n2)c(C)s1 ZINC000061859289 385142470 /nfs/dbraw/zinc/14/24/70/385142470.db2.gz PLURICOYAXQJPD-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2ccccc2Cl)n1 ZINC000061859290 386493303 /nfs/dbraw/zinc/49/33/03/386493303.db2.gz LVBIEKBWQRWMSB-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccnc(N[C@H](C)c2ccccc2Cl)n1 ZINC000061859291 386494267 /nfs/dbraw/zinc/49/42/67/386494267.db2.gz LVBIEKBWQRWMSB-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN CCCC1CCC(Nc2nccc(C)n2)CC1 ZINC000061859314 384755729 /nfs/dbraw/zinc/75/57/29/384755729.db2.gz WDQCIXOVRCGFOZ-UHFFFAOYSA-N 0 0 233.359 3.556 20 0 BHADRN Cc1ccnc(NCc2ccc(C(C)C)cc2)n1 ZINC000061859401 179451533 /nfs/dbraw/zinc/45/15/33/179451533.db2.gz ICVGWTRXASZMHJ-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN Cc1ccnc(NCc2cccc3ccccc32)n1 ZINC000061859483 386550345 /nfs/dbraw/zinc/55/03/45/386550345.db2.gz MZSGMOZHEJDHRA-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CC[C@H](Nc1nccc(C)n1)C1CCCCC1 ZINC000061859495 641002676 /nfs/dbraw/zinc/00/26/76/641002676.db2.gz KJHIKBFLRCVKPP-ZDUSSCGKSA-N 0 0 233.359 3.556 20 0 BHADRN CC[C@@H](Nc1nccc(C)n1)C1CCCCC1 ZINC000061859496 641002926 /nfs/dbraw/zinc/00/29/26/641002926.db2.gz KJHIKBFLRCVKPP-CYBMUJFWSA-N 0 0 233.359 3.556 20 0 BHADRN Cc1ccc2cccc(NC3CCCC3)c2n1 ZINC000061874846 384754391 /nfs/dbraw/zinc/75/43/91/384754391.db2.gz PGNMPCJORVHWJO-UHFFFAOYSA-N 0 0 226.323 3.898 20 0 BHADRN Cc1ccc2cccc(NCc3cccnc3)c2n1 ZINC000061874855 134802974 /nfs/dbraw/zinc/80/29/74/134802974.db2.gz VIEIPJJQBQBISJ-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccc2cccc(NCc3ccco3)c2n1 ZINC000061874856 387848212 /nfs/dbraw/zinc/84/82/12/387848212.db2.gz PKILAINIZRQFOM-UHFFFAOYSA-N 0 0 238.290 3.748 20 0 BHADRN Cc1ccc2cccc(NCC(C)C)c2n1 ZINC000061874857 387847736 /nfs/dbraw/zinc/84/77/36/387847736.db2.gz GRTNLRVSQXLFEP-UHFFFAOYSA-N 0 0 214.312 3.611 20 0 BHADRN Cc1ccc2cccc(NCc3ccncc3)c2n1 ZINC000061874859 134803122 /nfs/dbraw/zinc/80/31/22/134803122.db2.gz AHQMQBDVKOBKOM-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccc2cccc(N[C@@H](C)C3CC3)c2n1 ZINC000061874889 322859230 /nfs/dbraw/zinc/85/92/30/322859230.db2.gz AKFAQBPTQJOCHU-NSHDSACASA-N 0 0 226.323 3.754 20 0 BHADRN Cc1ccc2cccc(N[C@H](C)C3CC3)c2n1 ZINC000061874890 322859191 /nfs/dbraw/zinc/85/91/91/322859191.db2.gz AKFAQBPTQJOCHU-LLVKDONJSA-N 0 0 226.323 3.754 20 0 BHADRN Cc1ccc2cccc(NCc3ccccn3)c2n1 ZINC000061874915 386549719 /nfs/dbraw/zinc/54/97/19/386549719.db2.gz AWROVBLNXVGTQI-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CCc1csc(N[C@@H](C)c2ccccc2)n1 ZINC000061894307 384756544 /nfs/dbraw/zinc/75/65/44/384756544.db2.gz XWKCVPBAJONSGQ-JTQLQIEISA-N 0 0 232.352 3.879 20 0 BHADRN CCc1csc(N[C@H](C)c2ccccc2)n1 ZINC000061894308 384754040 /nfs/dbraw/zinc/75/40/40/384754040.db2.gz XWKCVPBAJONSGQ-SNVBAGLBSA-N 0 0 232.352 3.879 20 0 BHADRN CCc1csc(NCc2ccc(C)cc2)n1 ZINC000061894360 398108996 /nfs/dbraw/zinc/10/89/96/398108996.db2.gz WGGGSXGFJIRCSY-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCc1csc(N[C@@H](C)CC(C)C)n1 ZINC000061894390 322859602 /nfs/dbraw/zinc/85/96/02/322859602.db2.gz WYWLNSXVYYJMHT-VIFPVBQESA-N 0 0 212.362 3.552 20 0 BHADRN CCc1csc(N[C@H](C)CC(C)C)n1 ZINC000061894391 384758224 /nfs/dbraw/zinc/75/82/24/384758224.db2.gz WYWLNSXVYYJMHT-SECBINFHSA-N 0 0 212.362 3.552 20 0 BHADRN CCc1csc(NCc2ccccc2C)n1 ZINC000061894455 398108575 /nfs/dbraw/zinc/10/85/75/398108575.db2.gz UMZIWEYASIQQSN-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCc1csc(NCc2cccc(C)c2)n1 ZINC000061894456 398109591 /nfs/dbraw/zinc/10/95/91/398109591.db2.gz VJHQTPDLCZDGML-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCc1csc(N[C@@H](C)[C@@H](C)CC)n1 ZINC000061894575 384759579 /nfs/dbraw/zinc/75/95/79/384759579.db2.gz CLWPTQZFKLNJAX-IUCAKERBSA-N 0 0 212.362 3.552 20 0 BHADRN CCc1csc(N[C@H](C)[C@@H](C)CC)n1 ZINC000061894576 322859498 /nfs/dbraw/zinc/85/94/98/322859498.db2.gz CLWPTQZFKLNJAX-DTWKUNHWSA-N 0 0 212.362 3.552 20 0 BHADRN CCc1csc(N[C@@H](C)[C@H](C)CC)n1 ZINC000061894577 322859423 /nfs/dbraw/zinc/85/94/23/322859423.db2.gz CLWPTQZFKLNJAX-BDAKNGLRSA-N 0 0 212.362 3.552 20 0 BHADRN CCc1csc(N[C@H](C)[C@H](C)CC)n1 ZINC000061894578 322859600 /nfs/dbraw/zinc/85/96/00/322859600.db2.gz CLWPTQZFKLNJAX-RKDXNWHRSA-N 0 0 212.362 3.552 20 0 BHADRN CCc1csc(NCc2ccc(C)s2)n1 ZINC000061894705 171933206 /nfs/dbraw/zinc/93/32/06/171933206.db2.gz AOJSLZZDIJWFMZ-UHFFFAOYSA-N 0 0 238.381 3.688 20 0 BHADRN CCC[C@@H](CC)Nc1nc(CC)cs1 ZINC000061894713 384760755 /nfs/dbraw/zinc/76/07/55/384760755.db2.gz ALKRJXWMRHKZDS-SECBINFHSA-N 0 0 212.362 3.696 20 0 BHADRN CCC[C@H](CC)Nc1nc(CC)cs1 ZINC000061894714 384757870 /nfs/dbraw/zinc/75/78/70/384757870.db2.gz ALKRJXWMRHKZDS-VIFPVBQESA-N 0 0 212.362 3.696 20 0 BHADRN CCc1csc(N[C@@H](C)c2ccsc2)n1 ZINC000061894768 487488395 /nfs/dbraw/zinc/48/83/95/487488395.db2.gz MZMWDBRBYLAFIF-QMMMGPOBSA-N 0 0 238.381 3.940 20 0 BHADRN CCc1csc(N[C@H](C)c2ccsc2)n1 ZINC000061894769 487488806 /nfs/dbraw/zinc/48/88/06/487488806.db2.gz MZMWDBRBYLAFIF-MRVPVSSYSA-N 0 0 238.381 3.940 20 0 BHADRN Cc1cccnc1NCC[C@@H](C)c1ccccc1 ZINC000061910808 322859552 /nfs/dbraw/zinc/85/95/52/322859552.db2.gz ALCXEDTWOQNHSZ-CYBMUJFWSA-N 0 0 240.350 3.996 20 0 BHADRN Cc1cccnc1NCC[C@H](C)c1ccccc1 ZINC000061910809 322859429 /nfs/dbraw/zinc/85/94/29/322859429.db2.gz ALCXEDTWOQNHSZ-ZDUSSCGKSA-N 0 0 240.350 3.996 20 0 BHADRN C[C@@H](CCNc1ncccc1F)c1ccccc1 ZINC000061910816 175676138 /nfs/dbraw/zinc/67/61/38/175676138.db2.gz JTCPHLRBGRUNSM-LBPRGKRZSA-N 0 0 244.313 3.826 20 0 BHADRN C[C@H](CCNc1ncccc1F)c1ccccc1 ZINC000061910817 176630539 /nfs/dbraw/zinc/63/05/39/176630539.db2.gz JTCPHLRBGRUNSM-GFCCVEGCSA-N 0 0 244.313 3.826 20 0 BHADRN C[C@@H](CCNc1ccc(F)cn1)c1ccccc1 ZINC000061910856 322859540 /nfs/dbraw/zinc/85/95/40/322859540.db2.gz IHYNSMYRTKHHLH-LBPRGKRZSA-N 0 0 244.313 3.826 20 0 BHADRN C[C@H](CCNc1ccc(F)cn1)c1ccccc1 ZINC000061910857 322859437 /nfs/dbraw/zinc/85/94/37/322859437.db2.gz IHYNSMYRTKHHLH-GFCCVEGCSA-N 0 0 244.313 3.826 20 0 BHADRN Cc1ccc(NCC[C@@H](C)c2ccccc2)nc1 ZINC000061910892 384759736 /nfs/dbraw/zinc/75/97/36/384759736.db2.gz CJFNHQXBKLDTRV-CQSZACIVSA-N 0 0 240.350 3.996 20 0 BHADRN Cc1ccc(NCC[C@H](C)c2ccccc2)nc1 ZINC000061910893 384759698 /nfs/dbraw/zinc/75/96/98/384759698.db2.gz CJFNHQXBKLDTRV-AWEZNQCLSA-N 0 0 240.350 3.996 20 0 BHADRN CC/C=C(/C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000061961542 641011635 /nfs/dbraw/zinc/01/16/35/641011635.db2.gz LLCFLSMMKPXMRI-SDQBBNPISA-N 0 0 247.338 3.769 20 0 BHADRN CC(C)(C)CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000061961963 368572887 /nfs/dbraw/zinc/57/28/87/368572887.db2.gz BRWYLANQPGIDAD-UHFFFAOYSA-N 0 0 243.709 3.854 20 0 BHADRN C[C@@H](c1ccccc1F)N(C)c1cccc(F)n1 ZINC000062028804 176025232 /nfs/dbraw/zinc/02/52/32/176025232.db2.gz RGWCXXJVTWGQQV-JTQLQIEISA-N 0 0 248.276 3.557 20 0 BHADRN C[C@H](c1ccccc1F)N(C)c1cccc(F)n1 ZINC000062028805 177041751 /nfs/dbraw/zinc/04/17/51/177041751.db2.gz RGWCXXJVTWGQQV-SNVBAGLBSA-N 0 0 248.276 3.557 20 0 BHADRN CCCCCNC(=O)C(C)(C)Cc1ccccc1 ZINC000062047356 369940118 /nfs/dbraw/zinc/94/01/18/369940118.db2.gz DEYKIJYPNPIGPC-UHFFFAOYSA-N 0 0 247.382 3.562 20 0 BHADRN Cc1ccnc(N[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000062054696 322859492 /nfs/dbraw/zinc/85/94/92/322859492.db2.gz OJDALSBXMABHKF-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccnc(N[C@H](C)Cc2ccc(F)cc2)c1 ZINC000062054697 384758663 /nfs/dbraw/zinc/75/86/63/384758663.db2.gz OJDALSBXMABHKF-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cccc(N[C@@H](C)Cc2ccc(F)cc2)n1 ZINC000062054702 179153949 /nfs/dbraw/zinc/15/39/49/179153949.db2.gz JRWDTNKNOIXQIV-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cccc(N[C@H](C)Cc2ccc(F)cc2)n1 ZINC000062054703 179156376 /nfs/dbraw/zinc/15/63/76/179156376.db2.gz JRWDTNKNOIXQIV-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccc(N[C@@H](C)Cc2ccc(F)cc2)nc1 ZINC000062054811 384757883 /nfs/dbraw/zinc/75/78/83/384757883.db2.gz CVMWSMABYCHDOT-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccc(N[C@H](C)Cc2ccc(F)cc2)nc1 ZINC000062054812 384760260 /nfs/dbraw/zinc/76/02/60/384760260.db2.gz CVMWSMABYCHDOT-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN CCCCC(=O)NC(C)(C)Cc1ccc(C)cc1 ZINC000062078188 368573281 /nfs/dbraw/zinc/57/32/81/368573281.db2.gz KCARBZGKROHLIZ-UHFFFAOYSA-N 0 0 247.382 3.623 20 0 BHADRN C[C@H](NCc1ccoc1)c1ccccc1Cl ZINC000062103323 387184578 /nfs/dbraw/zinc/18/45/78/387184578.db2.gz MPOPDFLGKRVKSG-JTQLQIEISA-N 0 0 235.714 3.784 20 0 BHADRN C[C@@H](NCc1ccoc1)c1ccccc1Cl ZINC000062103324 387182974 /nfs/dbraw/zinc/18/29/74/387182974.db2.gz MPOPDFLGKRVKSG-SNVBAGLBSA-N 0 0 235.714 3.784 20 0 BHADRN C[C@@H]1Cc2ccccc2N(C(=O)CC(C)(C)C)C1 ZINC000062104575 134807869 /nfs/dbraw/zinc/80/78/69/134807869.db2.gz SYORDKOMURNRJT-GFCCVEGCSA-N 0 0 245.366 3.648 20 0 BHADRN C[C@H]1Cc2ccccc2N(C(=O)CC(C)(C)C)C1 ZINC000062104576 387849537 /nfs/dbraw/zinc/84/95/37/387849537.db2.gz SYORDKOMURNRJT-LBPRGKRZSA-N 0 0 245.366 3.648 20 0 BHADRN CCc1cccc(C)c1NC(=O)[C@@H](C)C1CC1 ZINC000062121355 387849472 /nfs/dbraw/zinc/84/94/72/387849472.db2.gz FHRQIXVTROFGRG-NSHDSACASA-N 0 0 231.339 3.542 20 0 BHADRN CCc1cccc(C)c1NC(=O)[C@H](C)C1CC1 ZINC000062121358 387850483 /nfs/dbraw/zinc/85/04/83/387850483.db2.gz FHRQIXVTROFGRG-LLVKDONJSA-N 0 0 231.339 3.542 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@@H](C)C1CC1 ZINC000062121692 187273357 /nfs/dbraw/zinc/27/33/57/187273357.db2.gz NVRODXUVKNKTOU-NSHDSACASA-N 0 0 231.339 3.795 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@H](C)C1CC1 ZINC000062121694 385160145 /nfs/dbraw/zinc/16/01/45/385160145.db2.gz NVRODXUVKNKTOU-LLVKDONJSA-N 0 0 231.339 3.795 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@@H](C)C2CC2)cc1 ZINC000062122020 262922564 /nfs/dbraw/zinc/92/25/64/262922564.db2.gz ALCVKSZRHZMSEJ-NSHDSACASA-N 0 0 231.339 3.795 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@H](C)C2CC2)cc1 ZINC000062122022 388459366 /nfs/dbraw/zinc/45/93/66/388459366.db2.gz ALCVKSZRHZMSEJ-LLVKDONJSA-N 0 0 231.339 3.795 20 0 BHADRN Cc1cc(C)c(NC(=O)[C@@H](C)C2CC2)c(C)c1 ZINC000062122473 188486361 /nfs/dbraw/zinc/48/63/61/188486361.db2.gz LZNYNMYJMQUUBZ-LBPRGKRZSA-N 0 0 231.339 3.596 20 0 BHADRN Cc1cc(C)c(NC(=O)[C@H](C)C2CC2)c(C)c1 ZINC000062122474 385160003 /nfs/dbraw/zinc/16/00/03/385160003.db2.gz LZNYNMYJMQUUBZ-GFCCVEGCSA-N 0 0 231.339 3.596 20 0 BHADRN C[C@H](C(=O)Nc1ccccc1C(C)(C)C)C1CC1 ZINC000062123482 262922539 /nfs/dbraw/zinc/92/25/39/262922539.db2.gz XTDOKOALPBWWCO-NSHDSACASA-N 0 0 245.366 3.969 20 0 BHADRN C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)C1CC1 ZINC000062123483 388459991 /nfs/dbraw/zinc/45/99/91/388459991.db2.gz XTDOKOALPBWWCO-LLVKDONJSA-N 0 0 245.366 3.969 20 0 BHADRN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000062123770 324212510 /nfs/dbraw/zinc/21/25/10/324212510.db2.gz QPNUHOLMIJPGKP-NSHDSACASA-N 0 0 245.366 3.969 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)C1CC1 ZINC000062124832 385160894 /nfs/dbraw/zinc/16/08/94/385160894.db2.gz CMIFBOMYBIMDIM-QMMMGPOBSA-N 0 0 237.730 3.633 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)[C@H](C)C1CC1 ZINC000062124833 385160924 /nfs/dbraw/zinc/16/09/24/385160924.db2.gz CMIFBOMYBIMDIM-MRVPVSSYSA-N 0 0 237.730 3.633 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)C1CC1 ZINC000062124928 385159994 /nfs/dbraw/zinc/15/99/94/385159994.db2.gz XPJRHHTUGQQZSB-VIFPVBQESA-N 0 0 237.730 3.633 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)C1CC1 ZINC000062124929 385159891 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/nfs/dbraw/zinc/96/64/41/344966441.db2.gz MPWNLBSDHBNSOL-UHFFFAOYSA-N 0 0 240.302 3.915 20 0 BHADRN CC(C)C(=O)Oc1ccc(Cl)cc1Cl ZINC000066325032 711671152 /nfs/dbraw/zinc/67/11/52/711671152.db2.gz AQEQPJOZVOHEBH-UHFFFAOYSA-N 0 0 233.094 3.555 20 0 BHADRN O=C(Oc1ccc(Cl)cc1Cl)C1CCC1 ZINC000066325035 711671061 /nfs/dbraw/zinc/67/10/61/711671061.db2.gz QOMFRBVVOVHNBC-UHFFFAOYSA-N 0 0 245.105 3.699 20 0 BHADRN COc1ccccc1OC(=O)CC1CCCCC1 ZINC000066325155 632879748 /nfs/dbraw/zinc/87/97/48/632879748.db2.gz PWCNJFYPJJRGMM-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN COc1ccccc1OC(=O)CCC1CCCC1 ZINC000066325269 635345694 /nfs/dbraw/zinc/34/56/94/635345694.db2.gz QNJDTBFDBSEQJC-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1cnc2ccccc2c1 ZINC000066338843 361192284 /nfs/dbraw/zinc/19/22/84/361192284.db2.gz NQZUBRHCQQEFCG-LLVKDONJSA-N 0 0 242.322 3.610 20 0 BHADRN CCC[C@H](C)C(=O)Nc1cnc2ccccc2c1 ZINC000066338848 361192147 /nfs/dbraw/zinc/19/21/47/361192147.db2.gz 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249.354 3.629 20 0 BHADRN CCN(C(=O)c1occc1C)[C@H]1CCCC[C@@H]1C ZINC000066415869 349877241 /nfs/dbraw/zinc/87/72/41/349877241.db2.gz GZDDJETYCIHDEG-AAEUAGOBSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1occc1C)[C@@H]1CCCC[C@H]1C ZINC000066415870 349877025 /nfs/dbraw/zinc/87/70/25/349877025.db2.gz GZDDJETYCIHDEG-DGCLKSJQSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1occc1C)[C@H]1CCCC[C@H]1C ZINC000066415871 349877008 /nfs/dbraw/zinc/87/70/08/349877008.db2.gz GZDDJETYCIHDEG-YPMHNXCESA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1ccoc1C)[C@@H]1CCCC[C@@H]1C ZINC000066416072 370579224 /nfs/dbraw/zinc/57/92/24/370579224.db2.gz AZDLDCWOLVBQOH-SMDDNHRTSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1ccoc1C)[C@H]1CCCC[C@@H]1C ZINC000066416073 344000602 /nfs/dbraw/zinc/00/06/02/344000602.db2.gz AZDLDCWOLVBQOH-FZMZJTMJSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1ccoc1C)[C@@H]1CCCC[C@H]1C ZINC000066416074 344000672 /nfs/dbraw/zinc/00/06/72/344000672.db2.gz AZDLDCWOLVBQOH-BXUZGUMPSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1ccoc1C)[C@H]1CCCC[C@H]1C ZINC000066416075 344000485 /nfs/dbraw/zinc/00/04/85/344000485.db2.gz AZDLDCWOLVBQOH-RISCZKNCSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1ccccc1)[C@@H]1CCCC[C@@H]1C ZINC000066416480 370578734 /nfs/dbraw/zinc/57/87/34/370578734.db2.gz KWRMPUMCVXWYDN-DZGCQCFKSA-N 0 0 245.366 3.727 20 0 BHADRN CCN(C(=O)c1ccccc1)[C@H]1CCCC[C@@H]1C ZINC000066416481 370579073 /nfs/dbraw/zinc/57/90/73/370579073.db2.gz KWRMPUMCVXWYDN-ZFWWWQNUSA-N 0 0 245.366 3.727 20 0 BHADRN CCN(C(=O)c1ccccc1)[C@@H]1CCCC[C@H]1C ZINC000066416482 370578739 /nfs/dbraw/zinc/57/87/39/370578739.db2.gz KWRMPUMCVXWYDN-UKRRQHHQSA-N 0 0 245.366 3.727 20 0 BHADRN CCN(C(=O)c1ccccc1)[C@H]1CCCC[C@H]1C ZINC000066416483 370579109 /nfs/dbraw/zinc/57/91/09/370579109.db2.gz KWRMPUMCVXWYDN-HIFRSBDPSA-N 0 0 245.366 3.727 20 0 BHADRN CCN(C(=O)c1ccc(C)o1)[C@@H]1CCCC[C@@H]1C ZINC000066416836 370578992 /nfs/dbraw/zinc/57/89/92/370578992.db2.gz BKZSGPKQEPVUPL-WCQYABFASA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1ccc(C)o1)[C@H]1CCCC[C@@H]1C ZINC000066416837 370578721 /nfs/dbraw/zinc/57/87/21/370578721.db2.gz BKZSGPKQEPVUPL-AAEUAGOBSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1ccc(C)o1)[C@@H]1CCCC[C@H]1C ZINC000066416838 370578767 /nfs/dbraw/zinc/57/87/67/370578767.db2.gz BKZSGPKQEPVUPL-DGCLKSJQSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1ccc(C)o1)[C@H]1CCCC[C@H]1C ZINC000066416839 370578897 /nfs/dbraw/zinc/57/88/97/370578897.db2.gz BKZSGPKQEPVUPL-YPMHNXCESA-N 0 0 249.354 3.629 20 0 BHADRN Cc1oc(C)c(C(=O)NCC2(C)CCCC2)c1C ZINC000066431351 370578770 /nfs/dbraw/zinc/57/87/70/370578770.db2.gz QOXYFVZENRWWBL-UHFFFAOYSA-N 0 0 249.354 3.515 20 0 BHADRN CC/C=C(/C)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000066458917 632916968 /nfs/dbraw/zinc/91/69/68/632916968.db2.gz SSVAOFYLJXNQQG-RNQWEJQRSA-N 0 0 245.366 3.605 20 0 BHADRN CC/C=C(/C)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000066458918 632917181 /nfs/dbraw/zinc/91/71/81/632917181.db2.gz SSVAOFYLJXNQQG-XXYUJHKVSA-N 0 0 245.366 3.605 20 0 BHADRN CC[C@@H](C)C(=O)Nc1cccc2ccc(C)nc21 ZINC000066462405 368649981 /nfs/dbraw/zinc/64/99/81/368649981.db2.gz YVLQMABFOSFSLM-SNVBAGLBSA-N 0 0 242.322 3.528 20 0 BHADRN CC[C@H](C)C(=O)Nc1cccc2ccc(C)nc21 ZINC000066462406 368649861 /nfs/dbraw/zinc/64/98/61/368649861.db2.gz YVLQMABFOSFSLM-JTQLQIEISA-N 0 0 242.322 3.528 20 0 BHADRN CCCCC(=O)Nc1cccc2ccc(C)nc21 ZINC000066462765 534956179 /nfs/dbraw/zinc/95/61/79/534956179.db2.gz HTTICZQGDKOGBX-UHFFFAOYSA-N 0 0 242.322 3.672 20 0 BHADRN Cc1cccc(C2(NC(=O)C(C)C)CCCC2)c1 ZINC000066511734 370586450 /nfs/dbraw/zinc/58/64/50/370586450.db2.gz WWSIDXBVVPZTAM-UHFFFAOYSA-N 0 0 245.366 3.537 20 0 BHADRN CCCC(=O)NC1(c2cccc(C)c2)CCCC1 ZINC000066511745 370586628 /nfs/dbraw/zinc/58/66/28/370586628.db2.gz HFQUEKBUYCYGGW-UHFFFAOYSA-N 0 0 245.366 3.681 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccc(C)c(OCC)c1 ZINC000066525423 632934675 /nfs/dbraw/zinc/93/46/75/632934675.db2.gz CQAMLZGHKXLSQK-KPKJPENVSA-N 0 0 247.338 3.689 20 0 BHADRN CCOc1cc(NC(=O)C2CCCC2)ccc1C ZINC000066525819 361297538 /nfs/dbraw/zinc/29/75/38/361297538.db2.gz VAUZHKHDXBHKKI-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN CCCCC(=O)Nc1ccc(C)c(OCC)c1 ZINC000066525876 349872798 /nfs/dbraw/zinc/87/27/98/349872798.db2.gz OWYWMZPXFJTRQV-UHFFFAOYSA-N 0 0 235.327 3.522 20 0 BHADRN CC/C=C(/C)C(=O)Nc1ccc(CSC)cc1 ZINC000066551163 632940550 /nfs/dbraw/zinc/94/05/50/632940550.db2.gz PYJATYZUQJRQFS-WZUFQYTHSA-N 0 0 249.379 3.844 20 0 BHADRN C/C=C/C=C/C(=O)Nc1ccc(CSC)cc1 ZINC000066551204 388720917 /nfs/dbraw/zinc/72/09/17/388720917.db2.gz OZFZZICKZWDCDB-VNKDHWASSA-N 0 0 247.363 3.620 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(CSC)cc1 ZINC000066551236 368652719 /nfs/dbraw/zinc/65/27/19/368652719.db2.gz CLMJVXLVPHBQSW-SNVBAGLBSA-N 0 0 237.368 3.534 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(CSC)cc1 ZINC000066551237 368652626 /nfs/dbraw/zinc/65/26/26/368652626.db2.gz CLMJVXLVPHBQSW-JTQLQIEISA-N 0 0 237.368 3.534 20 0 BHADRN CSCc1ccc(NC(=O)C2CCCC2)cc1 ZINC000066551666 368652828 /nfs/dbraw/zinc/65/28/28/368652828.db2.gz PVCFSAXZIRGUKZ-UHFFFAOYSA-N 0 0 249.379 3.678 20 0 BHADRN CSCc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000066551670 368652699 /nfs/dbraw/zinc/65/26/99/368652699.db2.gz OVLBJZGEJVSZPL-UHFFFAOYSA-N 0 0 237.368 3.534 20 0 BHADRN CSCc1ccc(NC(=O)CC(C)C)cc1 ZINC000066551696 361302827 /nfs/dbraw/zinc/30/28/27/361302827.db2.gz VYYVWPAZNRVNQV-UHFFFAOYSA-N 0 0 237.368 3.534 20 0 BHADRN CCCCC(=O)Nc1ccc(CSC)cc1 ZINC000066551756 368652573 /nfs/dbraw/zinc/65/25/73/368652573.db2.gz DDQCVXBPWZRUAK-UHFFFAOYSA-N 0 0 237.368 3.678 20 0 BHADRN CC(=O)Nc1cccc(-c2sccc2C)c1 ZINC000066553388 342801955 /nfs/dbraw/zinc/80/19/55/342801955.db2.gz ZSDJFJFNGRBPBL-UHFFFAOYSA-N 0 0 231.320 3.682 20 0 BHADRN CC(C)C(=O)Nc1cccc(SC(F)F)c1 ZINC000066555000 383871675 /nfs/dbraw/zinc/87/16/75/383871675.db2.gz JNBFKVLJVHCQIV-UHFFFAOYSA-N 0 0 245.294 3.596 20 0 BHADRN CCCC(=O)Nc1cccc(SC(F)F)c1 ZINC000066555031 368653085 /nfs/dbraw/zinc/65/30/85/368653085.db2.gz KMUUIJBVZOMMAM-UHFFFAOYSA-N 0 0 245.294 3.740 20 0 BHADRN 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370610066 /nfs/dbraw/zinc/61/00/66/370610066.db2.gz BAWZLNZKCHQONC-UHFFFAOYSA-N 0 0 249.329 3.604 20 0 BHADRN CCCCC(=O)N1CCCc2c(F)ccc(C)c21 ZINC000066786880 370610912 /nfs/dbraw/zinc/61/09/12/370610912.db2.gz SBRMEHVOSYGIFQ-UHFFFAOYSA-N 0 0 249.329 3.604 20 0 BHADRN Cc1cc(CSc2ccc(C)cc2)no1 ZINC000066862938 343882839 /nfs/dbraw/zinc/88/28/39/343882839.db2.gz XTUCRNZLIDEFOO-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN C[C@H](OC(=O)C(C)(C)C)c1ccc(F)cc1F ZINC000066876017 711727119 /nfs/dbraw/zinc/72/71/19/711727119.db2.gz HZQAJEUFLPHYPO-QMMMGPOBSA-N 0 0 242.265 3.615 20 0 BHADRN C[C@@H](OC(=O)C(C)(C)C)c1ccc(F)cc1F ZINC000066876018 711727011 /nfs/dbraw/zinc/72/70/11/711727011.db2.gz HZQAJEUFLPHYPO-MRVPVSSYSA-N 0 0 242.265 3.615 20 0 BHADRN C[C@H](OC(=O)C(C)(C)C)c1cc(F)ccc1F ZINC000066876291 711727030 /nfs/dbraw/zinc/72/70/30/711727030.db2.gz VYOYERJSTOEYPN-QMMMGPOBSA-N 0 0 242.265 3.615 20 0 BHADRN C[C@@H](OC(=O)C(C)(C)C)c1cc(F)ccc1F ZINC000066876294 711727555 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BHADRN Cc1ccccc1NC(=O)C[C@H](C)C(C)C ZINC000067786216 368700363 /nfs/dbraw/zinc/70/03/63/368700363.db2.gz RCYDMOTUXANJCL-LBPRGKRZSA-N 0 0 219.328 3.616 20 0 BHADRN COc1ccccc1NC(=O)C[C@H](C)CC(C)C ZINC000067786229 370703406 /nfs/dbraw/zinc/70/34/06/370703406.db2.gz HDTGGEZQNWEHHC-GFCCVEGCSA-N 0 0 249.354 3.706 20 0 BHADRN COc1ccccc1NC(=O)C[C@@H](C)CC(C)C ZINC000067786233 370703382 /nfs/dbraw/zinc/70/33/82/370703382.db2.gz HDTGGEZQNWEHHC-LBPRGKRZSA-N 0 0 249.354 3.706 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)Nc1ccccc1F ZINC000067786952 344299090 /nfs/dbraw/zinc/29/90/90/344299090.db2.gz PMWWYDXKHHBOFF-LLVKDONJSA-N 0 0 237.318 3.837 20 0 BHADRN CC(C)C[C@H](C)CC(=O)Nc1ccccc1F ZINC000067786956 344299278 /nfs/dbraw/zinc/29/92/78/344299278.db2.gz PMWWYDXKHHBOFF-NSHDSACASA-N 0 0 237.318 3.837 20 0 BHADRN CC(=O)c1cccc(NC(=O)C[C@H](C)C(C)C)c1 ZINC000067787915 383947120 /nfs/dbraw/zinc/94/71/20/383947120.db2.gz FJIKKGMVQAHKFO-NSHDSACASA-N 0 0 247.338 3.510 20 0 BHADRN CC(=O)c1cccc(NC(=O)C[C@@H](C)C(C)C)c1 ZINC000067787918 383945533 /nfs/dbraw/zinc/94/55/33/383945533.db2.gz FJIKKGMVQAHKFO-LLVKDONJSA-N 0 0 247.338 3.510 20 0 BHADRN CC(C)[C@@H](C)CC(=O)Nc1c(F)cccc1F ZINC000067787943 167357672 /nfs/dbraw/zinc/35/76/72/167357672.db2.gz HRVWSXRLZIUSOU-VIFPVBQESA-N 0 0 241.281 3.586 20 0 BHADRN CC(C)[C@H](C)CC(=O)Nc1c(F)cccc1F ZINC000067787945 187786030 /nfs/dbraw/zinc/78/60/30/187786030.db2.gz HRVWSXRLZIUSOU-SECBINFHSA-N 0 0 241.281 3.586 20 0 BHADRN Cc1cccc(C)c1NC(=O)C[C@@H](C)C(C)C ZINC000067789294 179041223 /nfs/dbraw/zinc/04/12/23/179041223.db2.gz NBTDQQNZRDZWDS-CYBMUJFWSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1cccc(C)c1NC(=O)C[C@H](C)C(C)C ZINC000067789297 179040521 /nfs/dbraw/zinc/04/05/21/179040521.db2.gz NBTDQQNZRDZWDS-ZDUSSCGKSA-N 0 0 233.355 3.924 20 0 BHADRN COc1ccc(NC(=O)C[C@@H](C)C(C)C)c(C)c1 ZINC000067834774 175143057 /nfs/dbraw/zinc/14/30/57/175143057.db2.gz GXIWSZHDGGQYCL-LLVKDONJSA-N 0 0 249.354 3.624 20 0 BHADRN 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Cc1ccc([C@@H](C)NC(=O)C[C@H](C)C2CC2)cc1 ZINC000068017436 642731513 /nfs/dbraw/zinc/73/15/13/642731513.db2.gz UTMPVNBWNYCANQ-QWHCGFSZSA-N 0 0 245.366 3.608 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)C[C@H](C)C2CC2)cc1 ZINC000068017437 642730292 /nfs/dbraw/zinc/73/02/92/642730292.db2.gz UTMPVNBWNYCANQ-STQMWFEESA-N 0 0 245.366 3.608 20 0 BHADRN CCc1ccccc1NC(=O)C[C@H](C)C1CC1 ZINC000068028118 642736636 /nfs/dbraw/zinc/73/66/36/642736636.db2.gz REFNNFKRTHZOGA-NSHDSACASA-N 0 0 231.339 3.624 20 0 BHADRN CCC/C=C/C(=O)N1CCC[C@H]1c1ccccc1 ZINC000068029268 642735873 /nfs/dbraw/zinc/73/58/73/642735873.db2.gz PBQKQHUKYADTKO-LYOQKUPSSA-N 0 0 243.350 3.706 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000068032776 642736810 /nfs/dbraw/zinc/73/68/10/642736810.db2.gz CETINBVTNPLWRN-YKXBDCQTSA-N 0 0 243.350 3.610 20 0 BHADRN O=C(CSc1ccc2ccccc2c1)C1CC1 ZINC000068042936 324832371 /nfs/dbraw/zinc/83/23/71/324832371.db2.gz SJVZHIWIOPFDET-UHFFFAOYSA-N 0 0 242.343 3.911 20 0 BHADRN Cc1cc(C)n(CCSc2ccc(C)cc2)n1 ZINC000068043270 359027388 /nfs/dbraw/zinc/02/73/88/359027388.db2.gz GTHBSBYVROQUBA-UHFFFAOYSA-N 0 0 246.379 3.601 20 0 BHADRN c1cc2c(ncnc2SC2CCCC2)s1 ZINC000068045503 368710496 /nfs/dbraw/zinc/71/04/96/368710496.db2.gz JOVZRKJDTXITNW-UHFFFAOYSA-N 0 0 236.365 3.726 20 0 BHADRN Cc1cc(C)n(CCSc2ccccc2C)n1 ZINC000068051231 368710690 /nfs/dbraw/zinc/71/06/90/368710690.db2.gz MRZBKNLTOADWNE-UHFFFAOYSA-N 0 0 246.379 3.601 20 0 BHADRN Cc1cc(C)n(CCSc2cccc(C)c2)n1 ZINC000068051435 368710733 /nfs/dbraw/zinc/71/07/33/368710733.db2.gz QNUCYNDZPGJSOC-UHFFFAOYSA-N 0 0 246.379 3.601 20 0 BHADRN c1ccc2c(c1)nccc2SC[C@@H]1CCCO1 ZINC000068053282 134892874 /nfs/dbraw/zinc/89/28/74/134892874.db2.gz AAIGHSHMOVOADQ-NSHDSACASA-N 0 0 245.347 3.506 20 0 BHADRN c1ccc2c(c1)nccc2SC[C@H]1CCCO1 ZINC000068053284 387099633 /nfs/dbraw/zinc/09/96/33/387099633.db2.gz AAIGHSHMOVOADQ-LLVKDONJSA-N 0 0 245.347 3.506 20 0 BHADRN CC(=O)CCCSc1ccnc2ccccc21 ZINC000068053807 387101403 /nfs/dbraw/zinc/10/14/03/387101403.db2.gz FJKWVGXGHIZKTF-UHFFFAOYSA-N 0 0 245.347 3.696 20 0 BHADRN CCC(=O)[C@@H](C)Sc1ccnc2ccccc21 ZINC000068053919 387100378 /nfs/dbraw/zinc/10/03/78/387100378.db2.gz LPPABWATKBJHAI-SNVBAGLBSA-N 0 0 245.347 3.695 20 0 BHADRN CCC(=O)[C@H](C)Sc1ccnc2ccccc21 ZINC000068053921 387100055 /nfs/dbraw/zinc/10/00/55/387100055.db2.gz LPPABWATKBJHAI-JTQLQIEISA-N 0 0 245.347 3.695 20 0 BHADRN CCC/C=C/C(=O)N(C)[C@H](C)c1ccccc1F ZINC000068080970 642737714 /nfs/dbraw/zinc/73/77/14/642737714.db2.gz VODKXBSBNMCJPW-IGEMTJHASA-N 0 0 249.329 3.701 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000068081012 642737984 /nfs/dbraw/zinc/73/79/84/642737984.db2.gz BGCTUHRFLOQSCY-YBJDMEARSA-N 0 0 231.339 3.529 20 0 BHADRN CCC/C=C/C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000068081013 643189367 /nfs/dbraw/zinc/18/93/67/643189367.db2.gz BGCTUHRFLOQSCY-KTRBRXNASA-N 0 0 231.339 3.529 20 0 BHADRN CC[C@H](C)C(=O)Nc1cccc(COC(C)C)c1 ZINC000068123248 368714337 /nfs/dbraw/zinc/71/43/37/368714337.db2.gz JVQLILVFBVOQAB-LBPRGKRZSA-N 0 0 249.354 3.596 20 0 BHADRN CCC/C=C/C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000068123529 642742736 /nfs/dbraw/zinc/74/27/36/642742736.db2.gz POOXRCBXAUCEJF-WXJAXGNASA-N 0 0 249.379 3.768 20 0 BHADRN Cc1ccc([C@H]2CCCN2C(=O)C(C)C)cc1C ZINC000068124489 178919656 /nfs/dbraw/zinc/91/96/56/178919656.db2.gz VEEJPGXUDPJLRW-OAHLLOKOSA-N 0 0 245.366 3.623 20 0 BHADRN CCCC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000068124494 368714331 /nfs/dbraw/zinc/71/43/31/368714331.db2.gz QEDPLFJLLKVCKM-HNNXBMFYSA-N 0 0 245.366 3.767 20 0 BHADRN Cc1ccccc1Oc1cnc2ccccc2n1 ZINC000068124719 370745481 /nfs/dbraw/zinc/74/54/81/370745481.db2.gz VOSDVVBECQNWSN-UHFFFAOYSA-N 0 0 236.274 3.731 20 0 BHADRN C[C@@H](CC(=O)Nc1ccccc1Cl)C1CC1 ZINC000068128796 643191033 /nfs/dbraw/zinc/19/10/33/643191033.db2.gz WMDYHJZVQVTKLP-VIFPVBQESA-N 0 0 237.730 3.715 20 0 BHADRN CCCCC(=O)N1CCCc2c(C)ccc(F)c21 ZINC000068144140 324842254 /nfs/dbraw/zinc/84/22/54/324842254.db2.gz GGFWWRZKILTGAK-UHFFFAOYSA-N 0 0 249.329 3.604 20 0 BHADRN CC[C@@H](C)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000068163633 368714919 /nfs/dbraw/zinc/71/49/19/368714919.db2.gz KETGXPXJWNUHHQ-GFCCVEGCSA-N 0 0 248.370 3.516 20 0 BHADRN CC[C@H](C)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000068163634 368714927 /nfs/dbraw/zinc/71/49/27/368714927.db2.gz KETGXPXJWNUHHQ-LBPRGKRZSA-N 0 0 248.370 3.516 20 0 BHADRN CCCCC(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000068163760 362225666 /nfs/dbraw/zinc/22/56/66/362225666.db2.gz SXFWWYHHAIGUBQ-UHFFFAOYSA-N 0 0 248.370 3.660 20 0 BHADRN CC(C)N(C)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000068164222 368714951 /nfs/dbraw/zinc/71/49/51/368714951.db2.gz AGVLCSYGBGXSGI-UHFFFAOYSA-N 0 0 248.370 3.516 20 0 BHADRN CC(C)CC(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000068164223 368715138 /nfs/dbraw/zinc/71/51/38/368715138.db2.gz LTPCSMFBLNSKCH-UHFFFAOYSA-N 0 0 248.370 3.516 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)c1cccc(C)c1C ZINC000068191972 170962865 /nfs/dbraw/zinc/96/28/65/170962865.db2.gz DTBQNHMZOUZYBD-CQSZACIVSA-N 0 0 245.366 3.708 20 0 BHADRN CC[C@H]1CCCCN1C(=O)c1cccc(C)c1C ZINC000068191973 171606977 /nfs/dbraw/zinc/60/69/77/171606977.db2.gz DTBQNHMZOUZYBD-AWEZNQCLSA-N 0 0 245.366 3.708 20 0 BHADRN CCC/C=C/C(=O)Nc1nc(C(C)C)cs1 ZINC000068209868 642748501 /nfs/dbraw/zinc/74/85/01/642748501.db2.gz KFKLMJULAPLFCS-VOTSOKGWSA-N 0 0 238.356 3.561 20 0 BHADRN CCC/C=C/C(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000068210233 642749503 /nfs/dbraw/zinc/74/95/03/642749503.db2.gz IZIVQBQYSDSEGX-FZKGZDJFSA-N 0 0 247.338 3.688 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000068210483 643190199 /nfs/dbraw/zinc/19/01/99/643190199.db2.gz SEAMUYXCUGQBAD-MLRMMBSGSA-N 0 0 237.368 3.590 20 0 BHADRN CC(C)(C)c1ccc(NC(=O)c2cc[nH]c2)cc1 ZINC000068227665 191002017 /nfs/dbraw/zinc/00/20/17/191002017.db2.gz VAXVLCAUCFBJAA-UHFFFAOYSA-N 0 0 242.322 3.565 20 0 BHADRN CCCCc1ccc(NC(=O)c2cc[nH]c2)cc1 ZINC000068228239 388768755 /nfs/dbraw/zinc/76/87/55/388768755.db2.gz ONLILOAHZCQWBR-UHFFFAOYSA-N 0 0 242.322 3.610 20 0 BHADRN CSc1ccccc1NC(=O)CC1CCCC1 ZINC000068232499 388709640 /nfs/dbraw/zinc/70/96/40/388709640.db2.gz XKAMYYZTFXYNGL-UHFFFAOYSA-N 0 0 249.379 3.927 20 0 BHADRN CCC(CC)C(=O)Nc1ccccc1SC ZINC000068232502 324849726 /nfs/dbraw/zinc/84/97/26/324849726.db2.gz QNECNDSBQPRKPP-UHFFFAOYSA-N 0 0 237.368 3.783 20 0 BHADRN Cc1ccc(NC(=O)CC2CCCC2)c(F)c1 ZINC000068234663 388710117 /nfs/dbraw/zinc/71/01/17/388710117.db2.gz GHWBSLOEHFMPEN-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN O=C(OC1CCCC1)c1ccc(F)cc1Cl ZINC000068367726 642764981 /nfs/dbraw/zinc/76/49/81/642764981.db2.gz YMSCKTMKCCHLQO-UHFFFAOYSA-N 0 0 242.677 3.579 20 0 BHADRN Cc1cc(C)c(NC(=O)C[C@@H](C)C2CC2)c(C)c1 ZINC000068375289 642767857 /nfs/dbraw/zinc/76/78/57/642767857.db2.gz XSDKFVICYUHUMK-LLVKDONJSA-N 0 0 245.366 3.987 20 0 BHADRN CCc1cccc(C)c1NC(=O)C[C@@H](C)C1CC1 ZINC000068375298 642766308 /nfs/dbraw/zinc/76/63/08/642766308.db2.gz NZTWDSRPQVXATK-GFCCVEGCSA-N 0 0 245.366 3.932 20 0 BHADRN Cc1cccc(C)c1NC(=O)C[C@@H](C)C1CC1 ZINC000068375984 642767949 /nfs/dbraw/zinc/76/79/49/642767949.db2.gz PFEDJODPRWDTBP-GFCCVEGCSA-N 0 0 231.339 3.678 20 0 BHADRN CCC(CC)NC(=O)c1cccc2ccccc21 ZINC000068518316 411338775 /nfs/dbraw/zinc/33/87/75/411338775.db2.gz WMDWRVVKIQGCAU-UHFFFAOYSA-N 0 0 241.334 3.758 20 0 BHADRN CCC[C@H](C(=O)NC(CC)CC)c1ccccc1 ZINC000068518363 411338574 /nfs/dbraw/zinc/33/85/74/411338574.db2.gz OLRMZAGPTGFKAX-HNNXBMFYSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@@H](C(=O)NC(CC)CC)c1ccccc1 ZINC000068518364 411338744 /nfs/dbraw/zinc/33/87/44/411338744.db2.gz OLRMZAGPTGFKAX-OAHLLOKOSA-N 0 0 247.382 3.875 20 0 BHADRN Fc1cccc(N2CCC[C@@H]2c2cccs2)n1 ZINC000068659573 368732129 /nfs/dbraw/zinc/73/21/29/368732129.db2.gz KCEXOSJYYFMNSN-SNVBAGLBSA-N 0 0 248.326 3.624 20 0 BHADRN Fc1cccc(N2CCC[C@H]2c2cccs2)n1 ZINC000068659574 368732447 /nfs/dbraw/zinc/73/24/47/368732447.db2.gz KCEXOSJYYFMNSN-JTQLQIEISA-N 0 0 248.326 3.624 20 0 BHADRN CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)CC ZINC000068707162 370833530 /nfs/dbraw/zinc/83/35/30/370833530.db2.gz UZBIQMRNBILVBV-ZFWWWQNUSA-N 0 0 247.382 3.560 20 0 BHADRN CCC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CC ZINC000068707164 370833539 /nfs/dbraw/zinc/83/35/39/370833539.db2.gz UZBIQMRNBILVBV-DZGCQCFKSA-N 0 0 247.382 3.560 20 0 BHADRN CCC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)CC ZINC000068707165 370833547 /nfs/dbraw/zinc/83/35/47/370833547.db2.gz UZBIQMRNBILVBV-HIFRSBDPSA-N 0 0 247.382 3.560 20 0 BHADRN CCC[C@H](Cc1ccccc1)NC(=O)[C@H](C)CC ZINC000068707167 370834051 /nfs/dbraw/zinc/83/40/51/370834051.db2.gz UZBIQMRNBILVBV-UKRRQHHQSA-N 0 0 247.382 3.560 20 0 BHADRN CCC[C@@H](Cc1ccccc1)NC(=O)CC(C)C ZINC000068707804 324894700 /nfs/dbraw/zinc/89/47/00/324894700.db2.gz JYZMBEQOGQAGAU-HNNXBMFYSA-N 0 0 247.382 3.560 20 0 BHADRN CCC[C@H](Cc1ccccc1)NC(=O)CC(C)C ZINC000068707805 324894956 /nfs/dbraw/zinc/89/49/56/324894956.db2.gz JYZMBEQOGQAGAU-OAHLLOKOSA-N 0 0 247.382 3.560 20 0 BHADRN CCCCC(=O)N[C@@H](CCC)Cc1ccccc1 ZINC000068707831 370834011 /nfs/dbraw/zinc/83/40/11/370834011.db2.gz USOMZOXXQCYXOI-HNNXBMFYSA-N 0 0 247.382 3.704 20 0 BHADRN CCCCC(=O)N[C@H](CCC)Cc1ccccc1 ZINC000068707834 370833899 /nfs/dbraw/zinc/83/38/99/370833899.db2.gz USOMZOXXQCYXOI-OAHLLOKOSA-N 0 0 247.382 3.704 20 0 BHADRN CCC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C ZINC000068707903 370834014 /nfs/dbraw/zinc/83/40/14/370834014.db2.gz JKXWUURDGPTFCX-AWEZNQCLSA-N 0 0 247.382 3.560 20 0 BHADRN CCC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C ZINC000068707906 370834036 /nfs/dbraw/zinc/83/40/36/370834036.db2.gz JKXWUURDGPTFCX-CQSZACIVSA-N 0 0 247.382 3.560 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1occc1C ZINC000068711307 370833478 /nfs/dbraw/zinc/83/34/78/370833478.db2.gz LPTYHTHJBICSLN-OLZOCXBDSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@H]1CCC[C@@H]1NC(=O)c1occc1C ZINC000068711310 370833634 /nfs/dbraw/zinc/83/36/34/370833634.db2.gz LPTYHTHJBICSLN-STQMWFEESA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)c1occc1C ZINC000068711314 370834034 /nfs/dbraw/zinc/83/40/34/370834034.db2.gz LPTYHTHJBICSLN-CHWSQXEVSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@H]1CCC[C@H]1NC(=O)c1occc1C ZINC000068711315 370834066 /nfs/dbraw/zinc/83/40/66/370834066.db2.gz LPTYHTHJBICSLN-QWHCGFSZSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccoc1C ZINC000068711648 370833733 /nfs/dbraw/zinc/83/37/33/370833733.db2.gz QGVUFCYTRRMQGS-OCCSQVGLSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccoc1C ZINC000068711650 370833755 /nfs/dbraw/zinc/83/37/55/370833755.db2.gz QGVUFCYTRRMQGS-JSGCOSHPSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccoc1C ZINC000068711651 370833852 /nfs/dbraw/zinc/83/38/52/370833852.db2.gz QGVUFCYTRRMQGS-TZMCWYRMSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@H]1CCC[C@H]1NC(=O)c1ccoc1C ZINC000068711654 370834070 /nfs/dbraw/zinc/83/40/70/370834070.db2.gz QGVUFCYTRRMQGS-GXTWGEPZSA-N 0 0 249.354 3.677 20 0 BHADRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C1CCC1 ZINC000068715589 370833642 /nfs/dbraw/zinc/83/36/42/370833642.db2.gz NMYYWRINLWQSKP-JSGCOSHPSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C1CCC1 ZINC000068715592 370833975 /nfs/dbraw/zinc/83/39/75/370833975.db2.gz NMYYWRINLWQSKP-OCCSQVGLSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C1CCC1 ZINC000068715595 370833929 /nfs/dbraw/zinc/83/39/29/370833929.db2.gz NMYYWRINLWQSKP-GXTWGEPZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@H]1CCC[C@H]1NC(=O)C1CCC1 ZINC000068715599 370834881 /nfs/dbraw/zinc/83/48/81/370834881.db2.gz NMYYWRINLWQSKP-TZMCWYRMSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1ccc(C(=O)N2CCC[C@@H](C)CC2)c(C)c1 ZINC000068779093 368734549 /nfs/dbraw/zinc/73/45/49/368734549.db2.gz GATAUHDTJHVOIX-GFCCVEGCSA-N 0 0 245.366 3.566 20 0 BHADRN CCc1ccc(C(=O)N2CCC[C@@H](C)CC2)cc1 ZINC000068779155 368735427 /nfs/dbraw/zinc/73/54/27/368735427.db2.gz FVGPDDDSRCHCNN-CYBMUJFWSA-N 0 0 245.366 3.511 20 0 BHADRN Cc1ccc(C(=O)N2CCC[C@@H](C)CC2)cc1C ZINC000068779563 387107857 /nfs/dbraw/zinc/10/78/57/387107857.db2.gz CNEVOGFWVLKWTN-GFCCVEGCSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1cccc(C(=O)N2CCC[C@H](C)CC2)c1C ZINC000068779682 368734731 /nfs/dbraw/zinc/73/47/31/368734731.db2.gz FLEFWAUSFKTWDR-LBPRGKRZSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1ccc(C)c(C(=O)N2CCC[C@@H](C)CC2)c1 ZINC000068779879 388806048 /nfs/dbraw/zinc/80/60/48/388806048.db2.gz FKLPSWZEJGHOAG-GFCCVEGCSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C)CC2)c1 ZINC000068779883 368734424 /nfs/dbraw/zinc/73/44/24/368734424.db2.gz RHRSPKBFCDEMQR-GFCCVEGCSA-N 0 0 245.366 3.566 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@H]1c1cccs1 ZINC000068782978 362382223 /nfs/dbraw/zinc/38/22/23/362382223.db2.gz BDJWXCSLNVJMBR-WJJQOZBFSA-N 0 0 247.363 3.544 20 0 BHADRN CCOc1cccc([C@@H](C)Nc2ccccn2)c1 ZINC000068824049 368737344 /nfs/dbraw/zinc/73/73/44/368737344.db2.gz DICVADATSOUGHJ-GFCCVEGCSA-N 0 0 242.322 3.653 20 0 BHADRN CC(=O)c1c(F)cccc1N1CCC[C@H](C)CC1 ZINC000068824688 384963314 /nfs/dbraw/zinc/96/33/14/384963314.db2.gz NTQRUXCCVYXITE-NSHDSACASA-N 0 0 249.329 3.655 20 0 BHADRN Cc1ccc(NC(=O)N2CCC[C@H](C)CC2)cc1 ZINC000068840872 388459861 /nfs/dbraw/zinc/45/98/61/388459861.db2.gz GFTZJCGAKXFHGY-LBPRGKRZSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1ccc(NC(=O)N2CCC[C@@H](C)CC2)cc1 ZINC000068840873 388459360 /nfs/dbraw/zinc/45/93/60/388459360.db2.gz GFTZJCGAKXFHGY-GFCCVEGCSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1cccc(NC(=O)N2CCC[C@H](C)CC2)c1 ZINC000068840888 262922934 /nfs/dbraw/zinc/92/29/34/262922934.db2.gz BDMUWBOGKCTOAD-LBPRGKRZSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1cccc(NC(=O)N2CCC[C@@H](C)CC2)c1 ZINC000068840889 388459595 /nfs/dbraw/zinc/45/95/95/388459595.db2.gz BDMUWBOGKCTOAD-GFCCVEGCSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1ccccc1NC(=O)N1CCC[C@H](C)CC1 ZINC000068856417 187274567 /nfs/dbraw/zinc/27/45/67/187274567.db2.gz JPJUSRGVWUPTEA-LBPRGKRZSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1ccccc1NC(=O)N1CCC[C@@H](C)CC1 ZINC000068856419 188304668 /nfs/dbraw/zinc/30/46/68/188304668.db2.gz JPJUSRGVWUPTEA-GFCCVEGCSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1nc(Cl)cc(N[C@@H](C)CCC(C)C)n1 ZINC000068890399 642807513 /nfs/dbraw/zinc/80/75/13/642807513.db2.gz SZLINBNONHGRRG-VIFPVBQESA-N 0 0 241.766 3.675 20 0 BHADRN Cc1nc(Cl)cc(N[C@H](C)CCC(C)C)n1 ZINC000068890400 642806920 /nfs/dbraw/zinc/80/69/20/642806920.db2.gz SZLINBNONHGRRG-SECBINFHSA-N 0 0 241.766 3.675 20 0 BHADRN CC(C)c1ccc(SCC(=O)C2CC2)cc1 ZINC000068890655 324908887 /nfs/dbraw/zinc/90/88/87/324908887.db2.gz FVQAOLBFXARBGQ-UHFFFAOYSA-N 0 0 234.364 3.881 20 0 BHADRN CC(C)N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000068913115 642808466 /nfs/dbraw/zinc/80/84/66/642808466.db2.gz VHAKTTXBARIJPY-UHFFFAOYSA-N 0 0 235.327 3.837 20 0 BHADRN Fc1cccc(Oc2nc3ccccc3o2)c1F ZINC000068916970 368741848 /nfs/dbraw/zinc/74/18/48/368741848.db2.gz WEIUKHRDTCUHTI-UHFFFAOYSA-N 0 0 247.200 3.898 20 0 BHADRN CSc1ccc(NC(=O)CC2CCCC2)cc1 ZINC000068932297 368741630 /nfs/dbraw/zinc/74/16/30/368741630.db2.gz DVQCEYVBWLXUOO-UHFFFAOYSA-N 0 0 249.379 3.927 20 0 BHADRN CCC(CC)C(=O)Nc1ccc(SC)cc1 ZINC000068932301 388459333 /nfs/dbraw/zinc/45/93/33/388459333.db2.gz LHGKRRXTCLNLJD-UHFFFAOYSA-N 0 0 237.368 3.783 20 0 BHADRN Cc1cccc(N[C@@H](C)CCC(C)C)n1 ZINC000068945076 179152853 /nfs/dbraw/zinc/15/28/53/179152853.db2.gz ITMABVZLQYMWLJ-LBPRGKRZSA-N 0 0 206.333 3.627 20 0 BHADRN Cc1cccc(N[C@H](C)CCC(C)C)n1 ZINC000068945078 179156629 /nfs/dbraw/zinc/15/66/29/179156629.db2.gz ITMABVZLQYMWLJ-GFCCVEGCSA-N 0 0 206.333 3.627 20 0 BHADRN Cc1ccnc(N[C@@H](C)CCC(C)C)c1 ZINC000068945084 385229004 /nfs/dbraw/zinc/22/90/04/385229004.db2.gz KADUSFVDYOXMOH-LBPRGKRZSA-N 0 0 206.333 3.627 20 0 BHADRN Cc1ccnc(N[C@H](C)CCC(C)C)c1 ZINC000068945086 385228715 /nfs/dbraw/zinc/22/87/15/385228715.db2.gz KADUSFVDYOXMOH-GFCCVEGCSA-N 0 0 206.333 3.627 20 0 BHADRN Cc1ccc(N[C@@H](C)CCC(C)C)nc1 ZINC000068945163 388814687 /nfs/dbraw/zinc/81/46/87/388814687.db2.gz BUAHTZPBMQWRJE-LBPRGKRZSA-N 0 0 206.333 3.627 20 0 BHADRN Cc1ccc(N[C@H](C)CCC(C)C)nc1 ZINC000068945164 324914046 /nfs/dbraw/zinc/91/40/46/324914046.db2.gz BUAHTZPBMQWRJE-GFCCVEGCSA-N 0 0 206.333 3.627 20 0 BHADRN COc1cccc(Nc2nc(C3CC3)cs2)c1 ZINC000068945627 344516293 /nfs/dbraw/zinc/51/62/93/344516293.db2.gz RZBXQFUJWJNBGE-UHFFFAOYSA-N 0 0 246.335 3.773 20 0 BHADRN c1sc(Nc2ccccc2)nc1C1CC1 ZINC000068945641 388815341 /nfs/dbraw/zinc/81/53/41/388815341.db2.gz BTDYAYQXWFRGAM-UHFFFAOYSA-N 0 0 216.309 3.764 20 0 BHADRN c1sc(-c2ccccc2)nc1C1CC1 ZINC000068945643 350313526 /nfs/dbraw/zinc/31/35/26/350313526.db2.gz YHAAJNHYVKTHRP-UHFFFAOYSA-N 0 0 201.294 3.688 20 0 BHADRN COc1ccc(Nc2nc(C3CC3)cs2)cc1 ZINC000068945649 388814132 /nfs/dbraw/zinc/81/41/32/388814132.db2.gz ZSRLROFWXOGYHC-UHFFFAOYSA-N 0 0 246.335 3.773 20 0 BHADRN COc1cccc(-c2nc(C3CC3)cs2)c1 ZINC000068945664 350314041 /nfs/dbraw/zinc/31/40/41/350314041.db2.gz NOXVXLKHRAHIHK-UHFFFAOYSA-N 0 0 231.320 3.696 20 0 BHADRN c1csc(-c2nc(C3CC3)cs2)c1 ZINC000068945665 373094341 /nfs/dbraw/zinc/09/43/41/373094341.db2.gz ARYJGYOIDKXDSA-UHFFFAOYSA-N 0 0 207.323 3.749 20 0 BHADRN Fc1ccc(-c2nc(C3CC3)cs2)cc1 ZINC000068945676 324914396 /nfs/dbraw/zinc/91/43/96/324914396.db2.gz MNEVYPOBASTWLK-UHFFFAOYSA-N 0 0 219.284 3.827 20 0 BHADRN Fc1cccc(-c2nc(C3CC3)cs2)c1 ZINC000068945680 388814988 /nfs/dbraw/zinc/81/49/88/388814988.db2.gz PILAYLUDYPZKTC-UHFFFAOYSA-N 0 0 219.284 3.827 20 0 BHADRN c1cc(-c2nc(C3CC3)cs2)cs1 ZINC000068945697 183330416 /nfs/dbraw/zinc/33/04/16/183330416.db2.gz GQKVEUJAGAQIOH-UHFFFAOYSA-N 0 0 207.323 3.749 20 0 BHADRN Fc1ccc(OCc2nc(C3CC3)cs2)cc1 ZINC000068945700 359028340 /nfs/dbraw/zinc/02/83/40/359028340.db2.gz YBBYWOSBOGZMRG-UHFFFAOYSA-N 0 0 249.310 3.739 20 0 BHADRN Clc1cc(-c2nc(C3CC3)cs2)ccn1 ZINC000068945735 384020752 /nfs/dbraw/zinc/02/07/52/384020752.db2.gz XYMWICIYQOLBKK-UHFFFAOYSA-N 0 0 236.727 3.736 20 0 BHADRN Cc1cccc(Cc2nc(C3CC3)cs2)c1 ZINC000068945746 388815498 /nfs/dbraw/zinc/81/54/98/388815498.db2.gz UVURCSQYGULLQQ-UHFFFAOYSA-N 0 0 229.348 3.920 20 0 BHADRN c1sc(CCc2ccccc2)nc1C1CC1 ZINC000068945766 387110892 /nfs/dbraw/zinc/11/08/92/387110892.db2.gz SXUUIAKMJKEPDO-UHFFFAOYSA-N 0 0 229.348 3.806 20 0 BHADRN Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1C ZINC000068975310 411490011 /nfs/dbraw/zinc/49/00/11/411490011.db2.gz XPPOJMMMFBPMME-WFASDCNBSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1C ZINC000068975312 411490081 /nfs/dbraw/zinc/49/00/81/411490081.db2.gz XPPOJMMMFBPMME-IUODEOHRSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2C)c1C ZINC000068975313 411490475 /nfs/dbraw/zinc/49/04/75/411490475.db2.gz XPPOJMMMFBPMME-DOMZBBRYSA-N 0 0 245.366 3.612 20 0 BHADRN Clc1ccc(CNC2(c3ccccc3)CC2)o1 ZINC000068979933 362481229 /nfs/dbraw/zinc/48/12/29/362481229.db2.gz NFKIEFUHYMIWAJ-UHFFFAOYSA-N 0 0 247.725 3.712 20 0 BHADRN CC[C@@H](C)NC(=O)CCCCc1ccc(C)cc1 ZINC000068983602 364030935 /nfs/dbraw/zinc/03/09/35/364030935.db2.gz YJUOJFUEYYXBQH-CQSZACIVSA-N 0 0 247.382 3.623 20 0 BHADRN CCCC[C@@H](CC)Nc1cccc(CO)c1 ZINC000068986503 324917542 /nfs/dbraw/zinc/91/75/42/324917542.db2.gz RXGPVPSTSPDJJX-CYBMUJFWSA-N 0 0 221.344 3.560 20 0 BHADRN CCCC[C@H](CC)Nc1cccc(CO)c1 ZINC000068986506 388817168 /nfs/dbraw/zinc/81/71/68/388817168.db2.gz RXGPVPSTSPDJJX-ZDUSSCGKSA-N 0 0 221.344 3.560 20 0 BHADRN CCCC[C@@H](CC)Nc1ccccc1CO ZINC000068986600 388817038 /nfs/dbraw/zinc/81/70/38/388817038.db2.gz ZUABHMJDSUREIS-CYBMUJFWSA-N 0 0 221.344 3.560 20 0 BHADRN CCCC[C@H](CC)Nc1ccccc1CO ZINC000068986602 324917304 /nfs/dbraw/zinc/91/73/04/324917304.db2.gz ZUABHMJDSUREIS-ZDUSSCGKSA-N 0 0 221.344 3.560 20 0 BHADRN Cc1nc(CN(c2ccccc2)C(C)C)oc1C ZINC000069003138 179949999 /nfs/dbraw/zinc/94/99/99/179949999.db2.gz WPOXTTPIYDEUSS-UHFFFAOYSA-N 0 0 244.338 3.706 20 0 BHADRN CC(C)CSCc1nnc(-c2ccccc2)o1 ZINC000069050001 187614425 /nfs/dbraw/zinc/61/44/25/187614425.db2.gz CRBOZUGONPSUIO-UHFFFAOYSA-N 0 0 248.351 3.626 20 0 BHADRN Clc1ccc(CSC2=NCCS2)s1 ZINC000069051759 388412465 /nfs/dbraw/zinc/41/24/65/388412465.db2.gz IQIMSDVMOIHORF-UHFFFAOYSA-N 0 0 249.813 3.738 20 0 BHADRN c1ccc2nc(SC[C@@H]3CCCO3)ccc2c1 ZINC000069052253 398100391 /nfs/dbraw/zinc/10/03/91/398100391.db2.gz XNGLWZWXZRBCDM-LBPRGKRZSA-N 0 0 245.347 3.506 20 0 BHADRN c1ccc(-c2ccc(Oc3ncccn3)cc2)cc1 ZINC000069055923 368745032 /nfs/dbraw/zinc/74/50/32/368745032.db2.gz XTXFHMJWSOXYPM-UHFFFAOYSA-N 0 0 248.285 3.936 20 0 BHADRN Clc1ccc(Cl)c(Oc2ncccn2)c1 ZINC000069056094 368744801 /nfs/dbraw/zinc/74/48/01/368744801.db2.gz XMOQFRIKGTVYOE-UHFFFAOYSA-N 0 0 241.077 3.576 20 0 BHADRN Cc1ccc(C(C)C)cc1Oc1ncccn1 ZINC000069056625 368743849 /nfs/dbraw/zinc/74/38/49/368743849.db2.gz VSNYPSWMSWXAAH-UHFFFAOYSA-N 0 0 228.295 3.701 20 0 BHADRN C[C@@H](c1ccco1)N(C)Cc1ccccc1F ZINC000069065623 176031666 /nfs/dbraw/zinc/03/16/66/176031666.db2.gz WNJXQPIVGSXOTQ-NSHDSACASA-N 0 0 233.286 3.612 20 0 BHADRN C[C@H](c1ccco1)N(C)Cc1ccccc1F ZINC000069065627 177048250 /nfs/dbraw/zinc/04/82/50/177048250.db2.gz WNJXQPIVGSXOTQ-LLVKDONJSA-N 0 0 233.286 3.612 20 0 BHADRN C[C@@H](c1ccco1)[N@H+](C)CCCc1ccccc1 ZINC000069067323 388822045 /nfs/dbraw/zinc/82/20/45/388822045.db2.gz QSZAQGSNKBVATG-AWEZNQCLSA-N 0 0 243.350 3.905 20 0 BHADRN C[C@H](c1ccco1)[N@H+](C)CCCc1ccccc1 ZINC000069067324 388821374 /nfs/dbraw/zinc/82/13/74/388821374.db2.gz QSZAQGSNKBVATG-CQSZACIVSA-N 0 0 243.350 3.905 20 0 BHADRN Cc1ccccc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069067443 388823025 /nfs/dbraw/zinc/82/30/25/388823025.db2.gz WWAHFWONNMSWFI-ZDUSSCGKSA-N 0 0 229.323 3.781 20 0 BHADRN Cc1ccccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069067446 388822092 /nfs/dbraw/zinc/82/20/92/388822092.db2.gz WWAHFWONNMSWFI-CYBMUJFWSA-N 0 0 229.323 3.781 20 0 BHADRN C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(F)c1 ZINC000069068950 388821614 /nfs/dbraw/zinc/82/16/14/388821614.db2.gz VWJKMLWATJCKGW-NSHDSACASA-N 0 0 233.286 3.612 20 0 BHADRN C[C@H](c1ccco1)[N@H+](C)Cc1cccc(F)c1 ZINC000069068953 388822012 /nfs/dbraw/zinc/82/20/12/388822012.db2.gz VWJKMLWATJCKGW-LLVKDONJSA-N 0 0 233.286 3.612 20 0 BHADRN CCCN(Cc1cccc(F)c1)CC(F)(F)F ZINC000069071335 342837795 /nfs/dbraw/zinc/83/77/95/342837795.db2.gz MEFQVZCZRHXVDG-UHFFFAOYSA-N 0 0 249.251 3.600 20 0 BHADRN CCCN(Cc1ccc(F)cc1)CC(F)(F)F ZINC000069071397 368744934 /nfs/dbraw/zinc/74/49/34/368744934.db2.gz JKIUFZALRTVKFK-UHFFFAOYSA-N 0 0 249.251 3.600 20 0 BHADRN CCCN(Cc1ccccc1F)CC(F)(F)F ZINC000069071403 342837814 /nfs/dbraw/zinc/83/78/14/342837814.db2.gz ZWZAOZUGQLCQFP-UHFFFAOYSA-N 0 0 249.251 3.600 20 0 BHADRN c1sc(C2CC2)nc1-c1ccc2c(c1)COC2 ZINC000069096060 368746593 /nfs/dbraw/zinc/74/65/93/368746593.db2.gz UWOYLFLSPJPYRF-UHFFFAOYSA-N 0 0 243.331 3.718 20 0 BHADRN CC(C)c1nc(-c2ccc3c(c2)COC3)cs1 ZINC000069096091 368746267 /nfs/dbraw/zinc/74/62/67/368746267.db2.gz UIZQYRUPRVLUOF-UHFFFAOYSA-N 0 0 245.347 3.964 20 0 BHADRN CCCc1nc(-c2ccc3c(c2)COC3)cs1 ZINC000069096122 368746391 /nfs/dbraw/zinc/74/63/91/368746391.db2.gz TVEXLZRBTGZXIL-UHFFFAOYSA-N 0 0 245.347 3.793 20 0 BHADRN CC(C)NC(=O)c1sccc1-c1ccccc1 ZINC000069120299 167091733 /nfs/dbraw/zinc/09/17/33/167091733.db2.gz OLSHLRXCOCAZLX-UHFFFAOYSA-N 0 0 245.347 3.553 20 0 BHADRN Cc1csc([C@H](C)NCc2ccc(C)cc2)n1 ZINC000069168561 632587378 /nfs/dbraw/zinc/58/73/78/632587378.db2.gz ITUKXKOXEZEJAT-LBPRGKRZSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1csc([C@@H](C)NCc2ccc(C)cc2)n1 ZINC000069168562 632586759 /nfs/dbraw/zinc/58/67/59/632586759.db2.gz ITUKXKOXEZEJAT-GFCCVEGCSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1csc([C@H](C)NCc2cccc(C)c2)n1 ZINC000069168567 179097491 /nfs/dbraw/zinc/09/74/91/179097491.db2.gz NYRDOFXWOIINPE-LBPRGKRZSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1csc([C@@H](C)NCc2cccc(C)c2)n1 ZINC000069168568 179100035 /nfs/dbraw/zinc/10/00/35/179100035.db2.gz NYRDOFXWOIINPE-GFCCVEGCSA-N 0 0 246.379 3.611 20 0 BHADRN CCC/C=C/C(=O)Nc1cccc(C)c1C ZINC000069179173 642835867 /nfs/dbraw/zinc/83/58/67/642835867.db2.gz QBWPKIIJXLQGSY-UXBLZVDNSA-N 0 0 217.312 3.598 20 0 BHADRN C[C@H](OC(=O)C1CCC1)c1ccc(Cl)cc1 ZINC000069188415 642837746 /nfs/dbraw/zinc/83/77/46/642837746.db2.gz JVPKLDJNYKFWQR-VIFPVBQESA-N 0 0 238.714 3.744 20 0 BHADRN C[C@@H](OC(=O)C1CCC1)c1ccc(Cl)cc1 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DCSONVLQLNXOCN-MNOVXSKESA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000069860095 384067453 /nfs/dbraw/zinc/06/74/53/384067453.db2.gz DCSONVLQLNXOCN-WDEREUQCSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000069860097 178777818 /nfs/dbraw/zinc/77/78/18/178777818.db2.gz DCSONVLQLNXOCN-QWRGUYRKSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1cc(-c2nccs2)nc2ccccc12 ZINC000069873909 323153240 /nfs/dbraw/zinc/15/32/40/323153240.db2.gz OADIJMKQZZDAAP-UHFFFAOYSA-N 0 0 226.304 3.667 20 0 BHADRN Clc1ccc(C2(NCc3ccco3)CC2)cc1 ZINC000069878688 359035824 /nfs/dbraw/zinc/03/58/24/359035824.db2.gz BGFHDRIRRVTADV-UHFFFAOYSA-N 0 0 247.725 3.712 20 0 BHADRN CC[C@@H](C)N[C@@H](c1ccccc1)C(F)(F)F ZINC000069938872 323156765 /nfs/dbraw/zinc/15/67/65/323156765.db2.gz CREZQRKHHGFYSX-KOLCDFICSA-N 0 0 231.261 3.678 20 0 BHADRN CC[C@H](C)N[C@@H](c1ccccc1)C(F)(F)F ZINC000069938873 323156736 /nfs/dbraw/zinc/15/67/36/323156736.db2.gz CREZQRKHHGFYSX-ONGXEEELSA-N 0 0 231.261 3.678 20 0 BHADRN CC[C@@H](C)N[C@H](c1ccccc1)C(F)(F)F ZINC000069938874 323156758 /nfs/dbraw/zinc/15/67/58/323156758.db2.gz CREZQRKHHGFYSX-MWLCHTKSSA-N 0 0 231.261 3.678 20 0 BHADRN CC[C@H](C)N[C@H](c1ccccc1)C(F)(F)F ZINC000069938875 323156756 /nfs/dbraw/zinc/15/67/56/323156756.db2.gz CREZQRKHHGFYSX-GXSJLCMTSA-N 0 0 231.261 3.678 20 0 BHADRN Clc1cc(Cl)cc(N[C@@H]2CCCOC2)c1 ZINC000070011342 490196414 /nfs/dbraw/zinc/19/64/14/490196414.db2.gz YBMNQWCSTGAGSJ-SNVBAGLBSA-N 0 0 246.137 3.584 20 0 BHADRN Clc1cc(Cl)cc(N[C@H]2CCCOC2)c1 ZINC000070011345 322860170 /nfs/dbraw/zinc/86/01/70/322860170.db2.gz YBMNQWCSTGAGSJ-JTQLQIEISA-N 0 0 246.137 3.584 20 0 BHADRN CC[N@@H+](Cc1ccc(Cl)s1)CC1CC1 ZINC000070015077 323161422 /nfs/dbraw/zinc/16/14/22/323161422.db2.gz QINMEJUAULRZPZ-UHFFFAOYSA-N 0 0 229.776 3.633 20 0 BHADRN CCN(CC1CC1)C(=O)Nc1cc(C)ccc1C ZINC000070017908 191003179 /nfs/dbraw/zinc/00/31/79/191003179.db2.gz RUBLSLOGWURWLP-UHFFFAOYSA-N 0 0 246.354 3.567 20 0 BHADRN CCN(CC1CC1)C(=O)Nc1cccc(C)c1C ZINC000070018164 191003044 /nfs/dbraw/zinc/00/30/44/191003044.db2.gz IPHFBQQROWXTRZ-UHFFFAOYSA-N 0 0 246.354 3.567 20 0 BHADRN CCN(CC1CC1)C(=O)Nc1ccc(C)cc1C ZINC000070018194 323161682 /nfs/dbraw/zinc/16/16/82/323161682.db2.gz FUXYNYQNUAUXOB-UHFFFAOYSA-N 0 0 246.354 3.567 20 0 BHADRN CCN(CC1CC1)C(=O)Nc1ccc(C)c(C)c1 ZINC000070018207 188130926 /nfs/dbraw/zinc/13/09/26/188130926.db2.gz YUSGQXSERXXAJO-UHFFFAOYSA-N 0 0 246.354 3.567 20 0 BHADRN CCN(CC1CC1)C(=O)Nc1cc(C)cc(C)c1 ZINC000070019264 191002734 /nfs/dbraw/zinc/00/27/34/191002734.db2.gz XZNYFSKSERRZOY-UHFFFAOYSA-N 0 0 246.354 3.567 20 0 BHADRN CCc1ccc(NC(=O)N(CC)CC2CC2)cc1 ZINC000070019318 398123311 /nfs/dbraw/zinc/12/33/11/398123311.db2.gz PJCNPUSCRVXULC-UHFFFAOYSA-N 0 0 246.354 3.513 20 0 BHADRN CCc1cccc(NC(=O)N(CC)CC2CC2)c1 ZINC000070019746 398123185 /nfs/dbraw/zinc/12/31/85/398123185.db2.gz WDYDJBHTHCRUCA-UHFFFAOYSA-N 0 0 246.354 3.513 20 0 BHADRN CCN(CC1CC1)C(=O)Nc1c(C)cccc1C ZINC000070020074 398123227 /nfs/dbraw/zinc/12/32/27/398123227.db2.gz QMJSNSGFDYOLOC-UHFFFAOYSA-N 0 0 246.354 3.567 20 0 BHADRN CCCCCCNc1ccc(Cl)cn1 ZINC000070020094 642956852 /nfs/dbraw/zinc/95/68/52/642956852.db2.gz IUMYRFOBIXMQGS-UHFFFAOYSA-N 0 0 212.724 3.727 20 0 BHADRN CCCCCCNc1nc(CC)cs1 ZINC000070020111 642956542 /nfs/dbraw/zinc/95/65/42/642956542.db2.gz NTQDUZJBQHKXMM-UHFFFAOYSA-N 0 0 212.362 3.698 20 0 BHADRN CCc1ccccc1NC(=O)N(CC)CC1CC1 ZINC000070020595 324990826 /nfs/dbraw/zinc/99/08/26/324990826.db2.gz HPFKNBSSUBLVFK-UHFFFAOYSA-N 0 0 246.354 3.513 20 0 BHADRN CCCOc1cccc2ccc(Cl)nc21 ZINC000070055076 642960889 /nfs/dbraw/zinc/96/08/89/642960889.db2.gz TWJPCZQQARAYKD-UHFFFAOYSA-N 0 0 221.687 3.677 20 0 BHADRN CCNc1ccc2ccc(Cl)c(Cl)c2n1 ZINC000070055141 170174011 /nfs/dbraw/zinc/17/40/11/170174011.db2.gz REHDBRSHYCYFTN-UHFFFAOYSA-N 0 0 241.121 3.973 20 0 BHADRN CCNc1ccc2c(Cl)ccc(C)c2n1 ZINC000070060475 170174543 /nfs/dbraw/zinc/17/45/43/170174543.db2.gz LVQDJZWTOLKUQK-UHFFFAOYSA-N 0 0 220.703 3.628 20 0 BHADRN CCNc1ccc2ccc(Cl)c(C)c2n1 ZINC000070060491 170173967 /nfs/dbraw/zinc/17/39/67/170173967.db2.gz MEURWCDJXQCDDJ-UHFFFAOYSA-N 0 0 220.703 3.628 20 0 BHADRN COc1ccc(N[C@H](C)c2sccc2C)cn1 ZINC000070089518 359040109 /nfs/dbraw/zinc/04/01/09/359040109.db2.gz YTPFXKQFTJQBGP-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccc(N[C@@H](C)c2sccc2C)cn1 ZINC000070089519 359040102 /nfs/dbraw/zinc/04/01/02/359040102.db2.gz YTPFXKQFTJQBGP-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN Cc1ccsc1[C@@H](C)Nc1c(C)nn(C)c1C ZINC000070089987 179551741 /nfs/dbraw/zinc/55/17/41/179551741.db2.gz QGYJFUCIROAGBP-SNVBAGLBSA-N 0 0 249.383 3.580 20 0 BHADRN Cc1ccsc1[C@H](C)Nc1c(C)nn(C)c1C ZINC000070089988 384077775 /nfs/dbraw/zinc/07/77/75/384077775.db2.gz QGYJFUCIROAGBP-JTQLQIEISA-N 0 0 249.383 3.580 20 0 BHADRN C[C@@H](CC1CC1)Nc1ccc(C(F)(F)F)cn1 ZINC000070102694 398220946 /nfs/dbraw/zinc/22/09/46/398220946.db2.gz SPRAAADNIFRSOY-QMMMGPOBSA-N 0 0 244.260 3.701 20 0 BHADRN C[C@H](CC1CC1)Nc1ccc(C(F)(F)F)cn1 ZINC000070102695 398220820 /nfs/dbraw/zinc/22/08/20/398220820.db2.gz SPRAAADNIFRSOY-MRVPVSSYSA-N 0 0 244.260 3.701 20 0 BHADRN Cc1cc(N[C@@H](C)CC2CC2)nc(C(C)C)n1 ZINC000070103054 359042107 /nfs/dbraw/zinc/04/21/07/359042107.db2.gz ZZAHEWHKIMIAPX-JTQLQIEISA-N 0 0 233.359 3.509 20 0 BHADRN Cc1cc(N[C@H](C)CC2CC2)nc(C(C)C)n1 ZINC000070103055 359042209 /nfs/dbraw/zinc/04/22/09/359042209.db2.gz ZZAHEWHKIMIAPX-SNVBAGLBSA-N 0 0 233.359 3.509 20 0 BHADRN CC(C)c1cc(N[C@H]2CC[C@@H](C)C[C@H]2C)ncn1 ZINC000070113881 388876657 /nfs/dbraw/zinc/87/66/57/388876657.db2.gz UZASIDOMRAYWCD-UPJWGTAASA-N 0 0 247.386 3.837 20 0 BHADRN CC(C)c1cc(N[C@@H]2CC[C@@H](C)C[C@H]2C)ncn1 ZINC000070113883 388875803 /nfs/dbraw/zinc/87/58/03/388875803.db2.gz UZASIDOMRAYWCD-JHJVBQTASA-N 0 0 247.386 3.837 20 0 BHADRN Cc1ccccc1Cn1cc(-c2ccccc2)cn1 ZINC000070141680 323169024 /nfs/dbraw/zinc/16/90/24/323169024.db2.gz MUQNETALJQACKR-UHFFFAOYSA-N 0 0 248.329 3.907 20 0 BHADRN Cc1cccc(Cn2cc(-c3ccccc3)cn2)c1 ZINC000070141681 323168974 /nfs/dbraw/zinc/16/89/74/323168974.db2.gz RXXHIUDNXLRTDG-UHFFFAOYSA-N 0 0 248.329 3.907 20 0 BHADRN COc1ccc(CSc2ccccc2O)cc1 ZINC000070142684 324995158 /nfs/dbraw/zinc/99/51/58/324995158.db2.gz SYJKRYKQDPZMLK-UHFFFAOYSA-N 0 0 246.331 3.693 20 0 BHADRN C[C@H](Nc1cccc(Cl)n1)c1ccccc1 ZINC000070152348 642979612 /nfs/dbraw/zinc/97/96/12/642979612.db2.gz IAMXCEDLCXTJPN-JTQLQIEISA-N 0 0 232.714 3.908 20 0 BHADRN C[C@@H](Nc1cccc(Cl)n1)c1ccccc1 ZINC000070152350 642977667 /nfs/dbraw/zinc/97/76/67/642977667.db2.gz IAMXCEDLCXTJPN-SNVBAGLBSA-N 0 0 232.714 3.908 20 0 BHADRN CCOc1ccc(Nc2cccc(Cl)n2)cc1 ZINC000070154274 170553303 /nfs/dbraw/zinc/55/33/03/170553303.db2.gz PAGYCXLARXAVCZ-UHFFFAOYSA-N 0 0 248.713 3.877 20 0 BHADRN CC(=O)c1ccc(C)cc1OCCC(C)C ZINC000070159304 323169834 /nfs/dbraw/zinc/16/98/34/323169834.db2.gz KMPPDUKJTWHBOP-UHFFFAOYSA-N 0 0 220.312 3.623 20 0 BHADRN CCCCCOc1cc(C)ccc1C(C)=O ZINC000070159692 323169832 /nfs/dbraw/zinc/16/98/32/323169832.db2.gz IBNGMZCUEVZXEX-UHFFFAOYSA-N 0 0 220.312 3.767 20 0 BHADRN Oc1ccc(SCCc2cccs2)cc1 ZINC000070162437 642982154 /nfs/dbraw/zinc/98/21/54/642982154.db2.gz WEVZMJXZWMFRNM-UHFFFAOYSA-N 0 0 236.361 3.789 20 0 BHADRN Cc1nccn1Cc1c(Cl)cccc1Cl ZINC000070163312 323169968 /nfs/dbraw/zinc/16/99/68/323169968.db2.gz NHEHAAMMSUEEAA-UHFFFAOYSA-N 0 0 241.121 3.547 20 0 BHADRN Cc1cc(C)n(Cc2cccc3ccccc32)n1 ZINC000070164766 323170366 /nfs/dbraw/zinc/17/03/66/323170366.db2.gz ABCZBLMMJZMGBW-UHFFFAOYSA-N 0 0 236.318 3.701 20 0 BHADRN C[C@H](OC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000070166364 177020296 /nfs/dbraw/zinc/02/02/96/177020296.db2.gz ACQBUJSIRLOAMK-NSHDSACASA-N 0 0 244.265 3.744 20 0 BHADRN C[C@@H](OC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000070166365 176001340 /nfs/dbraw/zinc/00/13/40/176001340.db2.gz ACQBUJSIRLOAMK-LLVKDONJSA-N 0 0 244.265 3.744 20 0 BHADRN O=C(OCC1CCCCC1)c1ccc(F)cc1 ZINC000070166366 384083993 /nfs/dbraw/zinc/08/39/93/384083993.db2.gz VOFBWMNZRIWIMW-UHFFFAOYSA-N 0 0 236.286 3.563 20 0 BHADRN C[C@H](OC(=O)c1ccccc1F)c1ccccc1 ZINC000070166369 177020521 /nfs/dbraw/zinc/02/05/21/177020521.db2.gz YDDNBTWWLVARLD-NSHDSACASA-N 0 0 244.265 3.744 20 0 BHADRN C[C@@H](OC(=O)c1ccccc1F)c1ccccc1 ZINC000070166370 176001810 /nfs/dbraw/zinc/00/18/10/176001810.db2.gz YDDNBTWWLVARLD-LLVKDONJSA-N 0 0 244.265 3.744 20 0 BHADRN O=C(OCC1CCCCC1)c1ccccc1F ZINC000070166371 182602737 /nfs/dbraw/zinc/60/27/37/182602737.db2.gz FTRNLEOPNFYHOM-UHFFFAOYSA-N 0 0 236.286 3.563 20 0 BHADRN CC(C)CCOC(=O)c1cc(Cl)ccc1F ZINC000070166532 642984895 /nfs/dbraw/zinc/98/48/95/642984895.db2.gz QCSXDWBPVMZMIV-UHFFFAOYSA-N 0 0 244.693 3.682 20 0 BHADRN O=C(OC1CCCCCC1)c1ccc(F)cc1 ZINC000070166751 642986068 /nfs/dbraw/zinc/98/60/68/642986068.db2.gz VJXQZDPWJCRZNA-UHFFFAOYSA-N 0 0 236.286 3.705 20 0 BHADRN O=C(OC1CCCCCC1)c1ccccc1F ZINC000070166752 642985178 /nfs/dbraw/zinc/98/51/78/642985178.db2.gz XUIXCVQORGXJTF-UHFFFAOYSA-N 0 0 236.286 3.705 20 0 BHADRN C[C@@H]1CCC[C@H](OC(=O)c2ccc(F)cc2)C1 ZINC000070166777 176146167 /nfs/dbraw/zinc/14/61/67/176146167.db2.gz YRNSALWYCGPBNI-MFKMUULPSA-N 0 0 236.286 3.561 20 0 BHADRN C[C@H]1CCC[C@H](OC(=O)c2ccc(F)cc2)C1 ZINC000070166778 177137944 /nfs/dbraw/zinc/13/79/44/177137944.db2.gz YRNSALWYCGPBNI-GWCFXTLKSA-N 0 0 236.286 3.561 20 0 BHADRN C[C@@H]1CCC[C@@H](OC(=O)c2ccc(F)cc2)C1 ZINC000070166779 176125224 /nfs/dbraw/zinc/12/52/24/176125224.db2.gz YRNSALWYCGPBNI-ZWNOBZJWSA-N 0 0 236.286 3.561 20 0 BHADRN C[C@H]1CCC[C@@H](OC(=O)c2ccc(F)cc2)C1 ZINC000070166780 642986139 /nfs/dbraw/zinc/98/61/39/642986139.db2.gz YRNSALWYCGPBNI-GXFFZTMASA-N 0 0 236.286 3.561 20 0 BHADRN C[C@@H]1CCC[C@H](OC(=O)c2ccccc2F)C1 ZINC000070166781 176146350 /nfs/dbraw/zinc/14/63/50/176146350.db2.gz PWKMINXYKAHZNQ-MNOVXSKESA-N 0 0 236.286 3.561 20 0 BHADRN C[C@H]1CCC[C@H](OC(=O)c2ccccc2F)C1 ZINC000070166782 177137913 /nfs/dbraw/zinc/13/79/13/177137913.db2.gz PWKMINXYKAHZNQ-QWRGUYRKSA-N 0 0 236.286 3.561 20 0 BHADRN C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2F)C1 ZINC000070166783 176125290 /nfs/dbraw/zinc/12/52/90/176125290.db2.gz PWKMINXYKAHZNQ-GHMZBOCLSA-N 0 0 236.286 3.561 20 0 BHADRN C[C@H]1CCC[C@@H](OC(=O)c2ccccc2F)C1 ZINC000070166784 188304513 /nfs/dbraw/zinc/30/45/13/188304513.db2.gz PWKMINXYKAHZNQ-WDEREUQCSA-N 0 0 236.286 3.561 20 0 BHADRN CCCCCOC(=O)c1cc(Cl)ccc1F ZINC000070167301 642985324 /nfs/dbraw/zinc/98/53/24/642985324.db2.gz CMFPCDLFXNIAQP-UHFFFAOYSA-N 0 0 244.693 3.826 20 0 BHADRN Cc1ccc([C@@H](C)NCc2cscn2)cc1C ZINC000070168244 387119667 /nfs/dbraw/zinc/11/96/67/387119667.db2.gz JPJUJYLGQYAKCF-GFCCVEGCSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1ccc([C@H](C)NCc2cscn2)cc1C ZINC000070168245 387121375 /nfs/dbraw/zinc/12/13/75/387121375.db2.gz JPJUJYLGQYAKCF-LBPRGKRZSA-N 0 0 246.379 3.611 20 0 BHADRN CC(C)CC[C@@H](C)Nc1ncnc2ccccc21 ZINC000070186296 323172905 /nfs/dbraw/zinc/17/29/05/323172905.db2.gz ZRYAWDLOCMDPBV-GFCCVEGCSA-N 0 0 243.354 3.866 20 0 BHADRN CC(C)CC[C@H](C)Nc1ncnc2ccccc21 ZINC000070186297 323172938 /nfs/dbraw/zinc/17/29/38/323172938.db2.gz ZRYAWDLOCMDPBV-LBPRGKRZSA-N 0 0 243.354 3.866 20 0 BHADRN CC(C)CC[C@@H](C)Nc1ncnc2ccsc21 ZINC000070186519 323172948 /nfs/dbraw/zinc/17/29/48/323172948.db2.gz KTFSACQOXUCCOO-SNVBAGLBSA-N 0 0 249.383 3.928 20 0 BHADRN CC(C)CC[C@H](C)Nc1ncnc2ccsc21 ZINC000070186520 323172917 /nfs/dbraw/zinc/17/29/17/323172917.db2.gz KTFSACQOXUCCOO-JTQLQIEISA-N 0 0 249.383 3.928 20 0 BHADRN CC(C)CC[C@@H](C)Nc1cnc2ccccc2n1 ZINC000070186521 323172974 /nfs/dbraw/zinc/17/29/74/323172974.db2.gz AGLPVBGCCWUVQN-GFCCVEGCSA-N 0 0 243.354 3.866 20 0 BHADRN CC(C)CC[C@H](C)Nc1cnc2ccccc2n1 ZINC000070186522 323172893 /nfs/dbraw/zinc/17/28/93/323172893.db2.gz AGLPVBGCCWUVQN-LBPRGKRZSA-N 0 0 243.354 3.866 20 0 BHADRN CC(C)CC[C@@H](C)Nc1ncnc2sccc21 ZINC000070186531 388878132 /nfs/dbraw/zinc/87/81/32/388878132.db2.gz LUTRAWRACBPSTC-SNVBAGLBSA-N 0 0 249.383 3.928 20 0 BHADRN CC(C)CC[C@H](C)Nc1ncnc2sccc21 ZINC000070186532 324996811 /nfs/dbraw/zinc/99/68/11/324996811.db2.gz LUTRAWRACBPSTC-JTQLQIEISA-N 0 0 249.383 3.928 20 0 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/nfs/dbraw/zinc/10/21/49/384102149.db2.gz ULPVSPUWZFTJDV-DOMZBBRYSA-N 0 0 233.355 3.789 20 0 BHADRN CC(C)c1ccc(N[C@H]2CCO[C@@H](C)C2)cc1 ZINC000070344021 167607519 /nfs/dbraw/zinc/60/75/19/167607519.db2.gz ULPVSPUWZFTJDV-WFASDCNBSA-N 0 0 233.355 3.789 20 0 BHADRN CC1(C)C[C@H](Nc2ccc3c(c2)CCC3)CCO1 ZINC000070344182 411391561 /nfs/dbraw/zinc/39/15/61/411391561.db2.gz ODTKBNPIIFZHOE-OAHLLOKOSA-N 0 0 245.366 3.545 20 0 BHADRN CC1(C)C[C@@H](Nc2ccc3c(c2)CCC3)CCO1 ZINC000070344183 411392191 /nfs/dbraw/zinc/39/21/91/411392191.db2.gz ODTKBNPIIFZHOE-HNNXBMFYSA-N 0 0 245.366 3.545 20 0 BHADRN CC[C@@H]1C[C@H](Nc2ccc3c(c2)CCC3)CCO1 ZINC000070344184 411391536 /nfs/dbraw/zinc/39/15/36/411391536.db2.gz SFMREJOONUFWSS-HZPDHXFCSA-N 0 0 245.366 3.545 20 0 BHADRN CC[C@H]1C[C@H](Nc2ccc3c(c2)CCC3)CCO1 ZINC000070344185 411391839 /nfs/dbraw/zinc/39/18/39/411391839.db2.gz SFMREJOONUFWSS-CVEARBPZSA-N 0 0 245.366 3.545 20 0 BHADRN CC[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC3)CCO1 ZINC000070344186 411391812 /nfs/dbraw/zinc/39/18/12/411391812.db2.gz SFMREJOONUFWSS-JKSUJKDBSA-N 0 0 245.366 3.545 20 0 BHADRN CC[C@H]1C[C@@H](Nc2ccc3c(c2)CCC3)CCO1 ZINC000070344187 411391736 /nfs/dbraw/zinc/39/17/36/411391736.db2.gz SFMREJOONUFWSS-HOTGVXAUSA-N 0 0 245.366 3.545 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC(C)(C)C2)cc1C ZINC000070344554 411391947 /nfs/dbraw/zinc/39/19/47/411391947.db2.gz FSDGHFKLZLHHKR-CQSZACIVSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1ccc(N[C@H]2CCOC(C)(C)C2)cc1C ZINC000070344555 411391671 /nfs/dbraw/zinc/39/16/71/411391671.db2.gz FSDGHFKLZLHHKR-AWEZNQCLSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@@H]1C[C@H](Nc2ccc(C)c(C)c2)CCO1 ZINC000070344556 411392055 /nfs/dbraw/zinc/39/20/55/411392055.db2.gz HIMCOFNRTPWKPY-HUUCEWRRSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@H]1C[C@H](Nc2ccc(C)c(C)c2)CCO1 ZINC000070344557 411391897 /nfs/dbraw/zinc/39/18/97/411391897.db2.gz HIMCOFNRTPWKPY-CABCVRRESA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@@H]1C[C@@H](Nc2ccc(C)c(C)c2)CCO1 ZINC000070344558 411391582 /nfs/dbraw/zinc/39/15/82/411391582.db2.gz HIMCOFNRTPWKPY-LSDHHAIUSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@H]1C[C@@H](Nc2ccc(C)c(C)c2)CCO1 ZINC000070344559 411391847 /nfs/dbraw/zinc/39/18/47/411391847.db2.gz HIMCOFNRTPWKPY-GJZGRUSLSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1ccc(N[C@@H]2CCO[C@H](C(C)C)C2)cc1C ZINC000070344560 325005526 /nfs/dbraw/zinc/00/55/26/325005526.db2.gz TZAMDCJTPROPKH-CVEARBPZSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1ccc(N[C@H]2CCO[C@H](C(C)C)C2)cc1C ZINC000070344561 325005181 /nfs/dbraw/zinc/00/51/81/325005181.db2.gz TZAMDCJTPROPKH-HOTGVXAUSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1ccc(N[C@@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC000070344562 325005416 /nfs/dbraw/zinc/00/54/16/325005416.db2.gz TZAMDCJTPROPKH-HZPDHXFCSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1ccc(N[C@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC000070344563 325005519 /nfs/dbraw/zinc/00/55/19/325005519.db2.gz TZAMDCJTPROPKH-JKSUJKDBSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1cc(C)cc(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000070344840 411391937 /nfs/dbraw/zinc/39/19/37/411391937.db2.gz IHDSHTCYIHTZQC-CYBMUJFWSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1cc(C)cc(N[C@H]2CCOC(C)(C)C2)c1 ZINC000070344841 411391678 /nfs/dbraw/zinc/39/16/78/411391678.db2.gz IHDSHTCYIHTZQC-ZDUSSCGKSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@@H]1C[C@H](Nc2cc(C)cc(C)c2)CCO1 ZINC000070344842 411391831 /nfs/dbraw/zinc/39/18/31/411391831.db2.gz RULAMSUVPZSISI-UKRRQHHQSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@H]1C[C@H](Nc2cc(C)cc(C)c2)CCO1 ZINC000070344843 411391810 /nfs/dbraw/zinc/39/18/10/411391810.db2.gz RULAMSUVPZSISI-HIFRSBDPSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@@H]1C[C@@H](Nc2cc(C)cc(C)c2)CCO1 ZINC000070344844 411391824 /nfs/dbraw/zinc/39/18/24/411391824.db2.gz RULAMSUVPZSISI-DZGCQCFKSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@H]1C[C@@H](Nc2cc(C)cc(C)c2)CCO1 ZINC000070344845 411391917 /nfs/dbraw/zinc/39/19/17/411391917.db2.gz RULAMSUVPZSISI-ZFWWWQNUSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1ccc(F)cc1N[C@@H]1CCOC(C)(C)C1 ZINC000070344858 411391700 /nfs/dbraw/zinc/39/17/00/411391700.db2.gz ORVDWMGBCGITHP-GFCCVEGCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)cc1N[C@H]1CCOC(C)(C)C1 ZINC000070344859 411391542 /nfs/dbraw/zinc/39/15/42/411391542.db2.gz ORVDWMGBCGITHP-LBPRGKRZSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@@H]1C[C@H](Nc2cc(F)ccc2C)CCO1 ZINC000070344860 411391454 /nfs/dbraw/zinc/39/14/54/411391454.db2.gz YDUJCCFZPYVERU-CHWSQXEVSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@H]1C[C@H](Nc2cc(F)ccc2C)CCO1 ZINC000070344861 411391821 /nfs/dbraw/zinc/39/18/21/411391821.db2.gz YDUJCCFZPYVERU-OLZOCXBDSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@@H]1C[C@@H](Nc2cc(F)ccc2C)CCO1 ZINC000070344862 411392167 /nfs/dbraw/zinc/39/21/67/411392167.db2.gz YDUJCCFZPYVERU-QWHCGFSZSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@H]1C[C@@H](Nc2cc(F)ccc2C)CCO1 ZINC000070344863 411391521 /nfs/dbraw/zinc/39/15/21/411391521.db2.gz YDUJCCFZPYVERU-STQMWFEESA-N 0 0 237.318 3.504 20 0 BHADRN CCc1ccc(N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000070344894 411391826 /nfs/dbraw/zinc/39/18/26/411391826.db2.gz HQVVYSSBOSEGEE-CQSZACIVSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@H]2CCOC(C)(C)C2)cc1 ZINC000070344895 411391486 /nfs/dbraw/zinc/39/14/86/411391486.db2.gz HQVVYSSBOSEGEE-AWEZNQCLSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@@H]2CCO[C@H](CC)C2)cc1 ZINC000070344896 411391950 /nfs/dbraw/zinc/39/19/50/411391950.db2.gz FHQDBJGFZFOAHD-HUUCEWRRSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@H]2CCO[C@H](CC)C2)cc1 ZINC000070344897 411391622 /nfs/dbraw/zinc/39/16/22/411391622.db2.gz FHQDBJGFZFOAHD-LSDHHAIUSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@@H]2CCO[C@@H](CC)C2)cc1 ZINC000070344898 411391968 /nfs/dbraw/zinc/39/19/68/411391968.db2.gz FHQDBJGFZFOAHD-CABCVRRESA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@H]2CCO[C@@H](CC)C2)cc1 ZINC000070344899 411391614 /nfs/dbraw/zinc/39/16/14/411391614.db2.gz FHQDBJGFZFOAHD-GJZGRUSLSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@@H]2CCO[C@H](C(C)C)C2)cc1 ZINC000070344900 325005552 /nfs/dbraw/zinc/00/55/52/325005552.db2.gz KESWMYOWLQWHMB-CVEARBPZSA-N 0 0 247.382 3.865 20 0 BHADRN CCc1ccc(N[C@H]2CCO[C@H](C(C)C)C2)cc1 ZINC000070344901 325005383 /nfs/dbraw/zinc/00/53/83/325005383.db2.gz KESWMYOWLQWHMB-HOTGVXAUSA-N 0 0 247.382 3.865 20 0 BHADRN CCc1ccc(N[C@@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000070344902 325005248 /nfs/dbraw/zinc/00/52/48/325005248.db2.gz KESWMYOWLQWHMB-HZPDHXFCSA-N 0 0 247.382 3.865 20 0 BHADRN CCc1ccc(N[C@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000070344903 325005430 /nfs/dbraw/zinc/00/54/30/325005430.db2.gz KESWMYOWLQWHMB-JKSUJKDBSA-N 0 0 247.382 3.865 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC(C)(C)C2)cc1F ZINC000070344912 411391877 /nfs/dbraw/zinc/39/18/77/411391877.db2.gz CRDQPMDYIUPZSW-GFCCVEGCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(N[C@H]2CCOC(C)(C)C2)cc1F ZINC000070344913 411392013 /nfs/dbraw/zinc/39/20/13/411392013.db2.gz CRDQPMDYIUPZSW-LBPRGKRZSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@@H]1C[C@H](Nc2ccc(C)c(F)c2)CCO1 ZINC000070344914 411391501 /nfs/dbraw/zinc/39/15/01/411391501.db2.gz UPSPALNTZIVJEX-CHWSQXEVSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@H]1C[C@H](Nc2ccc(C)c(F)c2)CCO1 ZINC000070344915 411391731 /nfs/dbraw/zinc/39/17/31/411391731.db2.gz UPSPALNTZIVJEX-OLZOCXBDSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@@H]1C[C@@H](Nc2ccc(C)c(F)c2)CCO1 ZINC000070344916 411392227 /nfs/dbraw/zinc/39/22/27/411392227.db2.gz UPSPALNTZIVJEX-QWHCGFSZSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@H]1C[C@@H](Nc2ccc(C)c(F)c2)CCO1 ZINC000070344917 411391843 /nfs/dbraw/zinc/39/18/43/411391843.db2.gz UPSPALNTZIVJEX-STQMWFEESA-N 0 0 237.318 3.504 20 0 BHADRN CCc1ccccc1N[C@@H]1CCOC(C)(C)C1 ZINC000070344930 411391914 /nfs/dbraw/zinc/39/19/14/411391914.db2.gz DTPIMELFLRBXRJ-CYBMUJFWSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccccc1N[C@H]1CCOC(C)(C)C1 ZINC000070344931 411391663 /nfs/dbraw/zinc/39/16/63/411391663.db2.gz DTPIMELFLRBXRJ-ZDUSSCGKSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccccc1N[C@@H]1CCO[C@H](CC)C1 ZINC000070344932 411391655 /nfs/dbraw/zinc/39/16/55/411391655.db2.gz RTGHLIJVERMKJO-ZIAGYGMSSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccccc1N[C@H]1CCO[C@H](CC)C1 ZINC000070344933 411392158 /nfs/dbraw/zinc/39/21/58/411392158.db2.gz RTGHLIJVERMKJO-UONOGXRCSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccccc1N[C@@H]1CCO[C@@H](CC)C1 ZINC000070344934 411392037 /nfs/dbraw/zinc/39/20/37/411392037.db2.gz RTGHLIJVERMKJO-KGLIPLIRSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccccc1N[C@H]1CCO[C@@H](CC)C1 ZINC000070344935 411391507 /nfs/dbraw/zinc/39/15/07/411391507.db2.gz RTGHLIJVERMKJO-KBPBESRZSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccccc1N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000070344936 325005464 /nfs/dbraw/zinc/00/54/64/325005464.db2.gz ZQBMXYSEFBFCMP-ZBFHGGJFSA-N 0 0 247.382 3.865 20 0 BHADRN CCc1ccccc1N[C@H]1CCO[C@H](C(C)C)C1 ZINC000070344937 325005475 /nfs/dbraw/zinc/00/54/75/325005475.db2.gz ZQBMXYSEFBFCMP-HOCLYGCPSA-N 0 0 247.382 3.865 20 0 BHADRN CCc1ccccc1N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000070344938 325005531 /nfs/dbraw/zinc/00/55/31/325005531.db2.gz ZQBMXYSEFBFCMP-GDBMZVCRSA-N 0 0 247.382 3.865 20 0 BHADRN CCc1ccccc1N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000070344939 325005129 /nfs/dbraw/zinc/00/51/29/325005129.db2.gz ZQBMXYSEFBFCMP-GOEBONIOSA-N 0 0 247.382 3.865 20 0 BHADRN Cc1cc(F)ccc1N[C@@H]1CCOC(C)(C)C1 ZINC000070344976 411391636 /nfs/dbraw/zinc/39/16/36/411391636.db2.gz LKZTYCKYAZBXGI-GFCCVEGCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)ccc1N[C@H]1CCOC(C)(C)C1 ZINC000070344977 411391682 /nfs/dbraw/zinc/39/16/82/411391682.db2.gz LKZTYCKYAZBXGI-LBPRGKRZSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@@H]1C[C@H](Nc2ccc(F)cc2C)CCO1 ZINC000070344978 411391527 /nfs/dbraw/zinc/39/15/27/411391527.db2.gz RYTVPHOHXXVXDY-CHWSQXEVSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@H]1C[C@H](Nc2ccc(F)cc2C)CCO1 ZINC000070344979 411391972 /nfs/dbraw/zinc/39/19/72/411391972.db2.gz RYTVPHOHXXVXDY-OLZOCXBDSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@@H]1C[C@@H](Nc2ccc(F)cc2C)CCO1 ZINC000070344980 411392221 /nfs/dbraw/zinc/39/22/21/411392221.db2.gz RYTVPHOHXXVXDY-QWHCGFSZSA-N 0 0 237.318 3.504 20 0 BHADRN CC[C@H]1C[C@@H](Nc2ccc(F)cc2C)CCO1 ZINC000070344981 411391770 /nfs/dbraw/zinc/39/17/70/411391770.db2.gz RYTVPHOHXXVXDY-STQMWFEESA-N 0 0 237.318 3.504 20 0 BHADRN CCc1cccc(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000070345012 411391495 /nfs/dbraw/zinc/39/14/95/411391495.db2.gz XDIAEEDFMJABJC-CQSZACIVSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1cccc(N[C@H]2CCOC(C)(C)C2)c1 ZINC000070345013 411391437 /nfs/dbraw/zinc/39/14/37/411391437.db2.gz XDIAEEDFMJABJC-AWEZNQCLSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1cccc(N[C@@H]2CCO[C@H](CC)C2)c1 ZINC000070345014 411392028 /nfs/dbraw/zinc/39/20/28/411392028.db2.gz VHRLGLSKZWZDJG-HUUCEWRRSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1cccc(N[C@H]2CCO[C@H](CC)C2)c1 ZINC000070345015 411391618 /nfs/dbraw/zinc/39/16/18/411391618.db2.gz VHRLGLSKZWZDJG-LSDHHAIUSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1cccc(N[C@@H]2CCO[C@@H](CC)C2)c1 ZINC000070345016 411391748 /nfs/dbraw/zinc/39/17/48/411391748.db2.gz VHRLGLSKZWZDJG-CABCVRRESA-N 0 0 233.355 3.619 20 0 BHADRN CCc1cccc(N[C@H]2CCO[C@@H](CC)C2)c1 ZINC000070345017 411391442 /nfs/dbraw/zinc/39/14/42/411391442.db2.gz VHRLGLSKZWZDJG-GJZGRUSLSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1cccc(N[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000070345018 323187457 /nfs/dbraw/zinc/18/74/57/323187457.db2.gz GKLSYAIVAVWUBP-CVEARBPZSA-N 0 0 247.382 3.865 20 0 BHADRN CCc1cccc(N[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000070345019 323187462 /nfs/dbraw/zinc/18/74/62/323187462.db2.gz GKLSYAIVAVWUBP-HOTGVXAUSA-N 0 0 247.382 3.865 20 0 BHADRN CCc1cccc(N[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000070345020 323187477 /nfs/dbraw/zinc/18/74/77/323187477.db2.gz GKLSYAIVAVWUBP-HZPDHXFCSA-N 0 0 247.382 3.865 20 0 BHADRN CCc1cccc(N[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000070345021 323187485 /nfs/dbraw/zinc/18/74/85/323187485.db2.gz GKLSYAIVAVWUBP-JKSUJKDBSA-N 0 0 247.382 3.865 20 0 BHADRN Cc1cccc(N[C@@H]2CCOC(C)(C)C2)c1C ZINC000070345086 411391693 /nfs/dbraw/zinc/39/16/93/411391693.db2.gz QZDRDHJEFFZBOX-CYBMUJFWSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1cccc(N[C@H]2CCOC(C)(C)C2)c1C ZINC000070345087 411391412 /nfs/dbraw/zinc/39/14/12/411391412.db2.gz QZDRDHJEFFZBOX-ZDUSSCGKSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@@H]1C[C@H](Nc2cccc(C)c2C)CCO1 ZINC000070345088 411391705 /nfs/dbraw/zinc/39/17/05/411391705.db2.gz SBJGLEKGIFCRDC-ZIAGYGMSSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@H]1C[C@H](Nc2cccc(C)c2C)CCO1 ZINC000070345089 411391986 /nfs/dbraw/zinc/39/19/86/411391986.db2.gz SBJGLEKGIFCRDC-KGLIPLIRSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@@H]1C[C@@H](Nc2cccc(C)c2C)CCO1 ZINC000070345090 411391460 /nfs/dbraw/zinc/39/14/60/411391460.db2.gz SBJGLEKGIFCRDC-UONOGXRCSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@H]1C[C@@H](Nc2cccc(C)c2C)CCO1 ZINC000070345091 411391596 /nfs/dbraw/zinc/39/15/96/411391596.db2.gz SBJGLEKGIFCRDC-KBPBESRZSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1cccc(N[C@@H]2CCO[C@H](C(C)C)C2)c1C ZINC000070345092 323187513 /nfs/dbraw/zinc/18/75/13/323187513.db2.gz BDGJHFWWTZTCHP-ZBFHGGJFSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1cccc(N[C@H]2CCO[C@H](C(C)C)C2)c1C ZINC000070345093 323187483 /nfs/dbraw/zinc/18/74/83/323187483.db2.gz BDGJHFWWTZTCHP-HOCLYGCPSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1cccc(N[C@@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000070345094 323187486 /nfs/dbraw/zinc/18/74/86/323187486.db2.gz BDGJHFWWTZTCHP-GDBMZVCRSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1cccc(N[C@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000070345095 323187482 /nfs/dbraw/zinc/18/74/82/323187482.db2.gz BDGJHFWWTZTCHP-GOEBONIOSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1ccc(C)c(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000070345116 411391723 /nfs/dbraw/zinc/39/17/23/411391723.db2.gz HLFQMUKDFCQNAO-CYBMUJFWSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1ccc(C)c(N[C@H]2CCOC(C)(C)C2)c1 ZINC000070345117 411391590 /nfs/dbraw/zinc/39/15/90/411391590.db2.gz HLFQMUKDFCQNAO-ZDUSSCGKSA-N 0 0 233.355 3.673 20 0 BHADRN CC[C@@H]1C[C@H](Nc2cc(C)ccc2C)CCO1 ZINC000070345118 411391936 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/nfs/dbraw/zinc/19/35/43/323193543.db2.gz DOTCFZIHHNSRBK-CMPLNLGQSA-N 0 0 245.288 3.926 20 0 BHADRN Cc1cc(C(=O)N2CCCCC[C@@H]2C)ccc1F ZINC000070409435 359052277 /nfs/dbraw/zinc/05/22/77/359052277.db2.gz BVFAKWVWPPAADV-LBPRGKRZSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1cc(C(=O)N2CCCCC[C@H]2C)ccc1F ZINC000070409436 359052295 /nfs/dbraw/zinc/05/22/95/359052295.db2.gz BVFAKWVWPPAADV-GFCCVEGCSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1ccc(F)c(C(=O)N2CCCCC[C@@H]2C)c1 ZINC000070409467 359052365 /nfs/dbraw/zinc/05/23/65/359052365.db2.gz KAORJIYHGGXOCB-LBPRGKRZSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1ccc(F)c(C(=O)N2CCCCC[C@H]2C)c1 ZINC000070409468 359052471 /nfs/dbraw/zinc/05/24/71/359052471.db2.gz KAORJIYHGGXOCB-GFCCVEGCSA-N 0 0 249.329 3.539 20 0 BHADRN CC(C)c1nc(Cn2ccnc2C(C)C)cs1 ZINC000070422940 359053072 /nfs/dbraw/zinc/05/30/72/359053072.db2.gz XWRXKOVHOMWBOX-UHFFFAOYSA-N 0 0 249.383 3.635 20 0 BHADRN CC(C)c1nccn1Cc1ccc(Cl)cc1 ZINC000070422947 384105810 /nfs/dbraw/zinc/10/58/10/384105810.db2.gz YGVJLTJXXNQPCK-UHFFFAOYSA-N 0 0 234.730 3.708 20 0 BHADRN Cc1cc(C)c(Cn2ccnc2C(C)C)c(C)c1 ZINC000070422960 325009323 /nfs/dbraw/zinc/00/93/23/325009323.db2.gz JTWKUDBXQSKOES-UHFFFAOYSA-N 0 0 242.366 3.980 20 0 BHADRN Cc1cc(C)cc(Cn2ccnc2C(C)C)c1 ZINC000070422963 325009189 /nfs/dbraw/zinc/00/91/89/325009189.db2.gz QLKZBFVDFBTEQV-UHFFFAOYSA-N 0 0 228.339 3.672 20 0 BHADRN CC(C)c1nccn1Cc1cccc(Cl)c1 ZINC000070422995 384106639 /nfs/dbraw/zinc/10/66/39/384106639.db2.gz FNMCRTOUTILOFH-UHFFFAOYSA-N 0 0 234.730 3.708 20 0 BHADRN CC(C)c1nccn1CC1CCCCC1 ZINC000070423008 343328590 /nfs/dbraw/zinc/32/85/90/343328590.db2.gz WGROGGHLDQDLBQ-UHFFFAOYSA-N 0 0 206.333 3.587 20 0 BHADRN CC(C)c1nccn1CCSc1ccccc1 ZINC000070423013 534916972 /nfs/dbraw/zinc/91/69/72/534916972.db2.gz HMZZXBPHBDEONE-UHFFFAOYSA-N 0 0 246.379 3.799 20 0 BHADRN CCc1ccc(Cn2ccnc2C(C)C)cc1 ZINC000070423018 325008008 /nfs/dbraw/zinc/00/80/08/325008008.db2.gz BDYCTDPNDUYEKJ-UHFFFAOYSA-N 0 0 228.339 3.617 20 0 BHADRN CC(C)c1nccn1Cc1ccc(Cl)s1 ZINC000070423045 383924534 /nfs/dbraw/zinc/92/45/34/383924534.db2.gz YLDGDSRANRXWHY-UHFFFAOYSA-N 0 0 240.759 3.770 20 0 BHADRN CC(C)c1nccn1C/C=C/c1ccccc1 ZINC000070423074 359053031 /nfs/dbraw/zinc/05/30/31/359053031.db2.gz KCILFUHTPTYYGF-RMKNXTFCSA-N 0 0 226.323 3.720 20 0 BHADRN Cc1ccc(Cn2ccnc2C(C)C)cc1C ZINC000070423095 323193790 /nfs/dbraw/zinc/19/37/90/323193790.db2.gz FVTWRWDMCBKGTG-UHFFFAOYSA-N 0 0 228.339 3.672 20 0 BHADRN Cc1ccc(C)c(Cn2ccnc2C(C)C)c1 ZINC000070423119 323193696 /nfs/dbraw/zinc/19/36/96/323193696.db2.gz PFWRQFKRMKBHFZ-UHFFFAOYSA-N 0 0 228.339 3.672 20 0 BHADRN CCCc1nccn1Cc1ccc(Cl)cc1 ZINC000070424238 359052956 /nfs/dbraw/zinc/05/29/56/359052956.db2.gz LAOJLCAMHGYXSL-UHFFFAOYSA-N 0 0 234.730 3.537 20 0 BHADRN CCCc1nccn1Cc1c(C)cc(C)cc1C ZINC000070424261 385869046 /nfs/dbraw/zinc/86/90/46/385869046.db2.gz ZGYPFMGDMNKQPR-UHFFFAOYSA-N 0 0 242.366 3.809 20 0 BHADRN CCCc1nccn1Cc1cc(C)cc(C)c1 ZINC000070424264 325009300 /nfs/dbraw/zinc/00/93/00/325009300.db2.gz SPCGAVFCKKTVTB-UHFFFAOYSA-N 0 0 228.339 3.501 20 0 BHADRN CCCc1nccn1Cc1ccccc1Cl ZINC000070424280 359053025 /nfs/dbraw/zinc/05/30/25/359053025.db2.gz ZPAHXRMPBNCQSH-UHFFFAOYSA-N 0 0 234.730 3.537 20 0 BHADRN CCCc1nccn1C/C=C/c1ccccc1 ZINC000070424287 325008849 /nfs/dbraw/zinc/00/88/49/325008849.db2.gz YONNAWCKGZQQIB-UXBLZVDNSA-N 0 0 226.323 3.549 20 0 BHADRN CCCc1nccn1Cc1ccc(C)c(C)c1 ZINC000070424328 325008096 /nfs/dbraw/zinc/00/80/96/325008096.db2.gz YHGPWHSMOKCTDG-UHFFFAOYSA-N 0 0 228.339 3.501 20 0 BHADRN CCCc1nccn1CCSc1ccccc1 ZINC000070424425 359053084 /nfs/dbraw/zinc/05/30/84/359053084.db2.gz MZXAGEKFZNFPKJ-UHFFFAOYSA-N 0 0 246.379 3.628 20 0 BHADRN CCCc1nccn1Cc1cc(C)ccc1C ZINC000070424475 325008306 /nfs/dbraw/zinc/00/83/06/325008306.db2.gz FNJVJIOQQKIKDU-UHFFFAOYSA-N 0 0 228.339 3.501 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)c1nccn1C ZINC000070443218 387066091 /nfs/dbraw/zinc/06/60/91/387066091.db2.gz ZQQUEZDPRYRTTN-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)c1nccn1C ZINC000070443219 387065818 /nfs/dbraw/zinc/06/58/18/387065818.db2.gz ZQQUEZDPRYRTTN-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@@H](C)c2nccn2C)cc1Cl ZINC000070443242 387066237 /nfs/dbraw/zinc/06/62/37/387066237.db2.gz ZPFOEMNJTBAESV-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@H](C)c2nccn2C)cc1Cl ZINC000070443243 387064716 /nfs/dbraw/zinc/06/47/16/387064716.db2.gz ZPFOEMNJTBAESV-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)c1nccn1C ZINC000070443284 387065872 /nfs/dbraw/zinc/06/58/72/387065872.db2.gz FPMUFBGQLOJABM-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)c1nccn1C ZINC000070443285 177601783 /nfs/dbraw/zinc/60/17/83/177601783.db2.gz FPMUFBGQLOJABM-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2nccn2C)cc1 ZINC000070443352 359052983 /nfs/dbraw/zinc/05/29/83/359052983.db2.gz XWFRDDPOEWCCRN-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2nccn2C)cc1 ZINC000070443353 134917621 /nfs/dbraw/zinc/91/76/21/134917621.db2.gz XWFRDDPOEWCCRN-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H](C)c1nccn1C ZINC000070443484 359054796 /nfs/dbraw/zinc/05/47/96/359054796.db2.gz HAQRMHURIHNKER-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H](C)c1nccn1C ZINC000070443485 359054516 /nfs/dbraw/zinc/05/45/16/359054516.db2.gz HAQRMHURIHNKER-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC(C)c1cccc(N[C@@H](C)c2nccn2C)c1 ZINC000070443614 359054009 /nfs/dbraw/zinc/05/40/09/359054009.db2.gz OHWXLHOOQZIQRO-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1cccc(N[C@H](C)c2nccn2C)c1 ZINC000070443615 359053993 /nfs/dbraw/zinc/05/39/93/359053993.db2.gz OHWXLHOOQZIQRO-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN CCCc1ccc(N[C@@H](C)c2nccn2C)cc1 ZINC000070443618 643027423 /nfs/dbraw/zinc/02/74/23/643027423.db2.gz IVHLOKRPWYTWCF-LBPRGKRZSA-N 0 0 243.354 3.546 20 0 BHADRN CCCc1ccc(N[C@H](C)c2nccn2C)cc1 ZINC000070443619 643025727 /nfs/dbraw/zinc/02/57/27/643025727.db2.gz IVHLOKRPWYTWCF-GFCCVEGCSA-N 0 0 243.354 3.546 20 0 BHADRN Cc1ccc(N[C@@H](C)c2nccn2C)c(Cl)c1 ZINC000070443758 387068159 /nfs/dbraw/zinc/06/81/59/387068159.db2.gz DHAXHBOEBHMKLI-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@H](C)c2nccn2C)c(Cl)c1 ZINC000070443759 387068512 /nfs/dbraw/zinc/06/85/12/387068512.db2.gz DHAXHBOEBHMKLI-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC(C)(C)c1ccc(N[C@@H]2CCCOC2)cc1 ZINC000070463705 325011640 /nfs/dbraw/zinc/01/16/40/325011640.db2.gz UQYQRQHMZUBHFW-CQSZACIVSA-N 0 0 233.355 3.575 20 0 BHADRN CC(C)(C)c1ccc(N[C@H]2CCCOC2)cc1 ZINC000070463706 325010920 /nfs/dbraw/zinc/01/09/20/325010920.db2.gz UQYQRQHMZUBHFW-AWEZNQCLSA-N 0 0 233.355 3.575 20 0 BHADRN CCCCc1ccc(N[C@@H]2CCCOC2)cc1 ZINC000070463857 325011389 /nfs/dbraw/zinc/01/13/89/325011389.db2.gz SDPNWJFTJUTBDW-OAHLLOKOSA-N 0 0 233.355 3.620 20 0 BHADRN CCCCc1ccc(N[C@H]2CCCOC2)cc1 ZINC000070463858 325011744 /nfs/dbraw/zinc/01/17/44/325011744.db2.gz SDPNWJFTJUTBDW-HNNXBMFYSA-N 0 0 233.355 3.620 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)c1cnccn1 ZINC000070477121 359056705 /nfs/dbraw/zinc/05/67/05/359056705.db2.gz SOFPRPHETWLGQL-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)c1cnccn1 ZINC000070477122 134919266 /nfs/dbraw/zinc/91/92/66/134919266.db2.gz SOFPRPHETWLGQL-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cnccn2)cc1Cl ZINC000070477145 134918950 /nfs/dbraw/zinc/91/89/50/134918950.db2.gz DTXITEBYDVUSQF-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(N[C@H](C)c2cnccn2)cc1Cl ZINC000070477146 359056941 /nfs/dbraw/zinc/05/69/41/359056941.db2.gz DTXITEBYDVUSQF-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN C[C@H](Nc1cccc2ccccc21)c1cnccn1 ZINC000070477147 343328360 /nfs/dbraw/zinc/32/83/60/343328360.db2.gz IPNODSSRQNTVPY-LBPRGKRZSA-N 0 0 249.317 3.803 20 0 BHADRN C[C@@H](Nc1cccc2ccccc21)c1cnccn1 ZINC000070477148 343328400 /nfs/dbraw/zinc/32/84/00/343328400.db2.gz IPNODSSRQNTVPY-GFCCVEGCSA-N 0 0 249.317 3.803 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)c1cnccn1 ZINC000070477207 359056858 /nfs/dbraw/zinc/05/68/58/359056858.db2.gz LPAYMCVPTLTKQP-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)c1cnccn1 ZINC000070477208 359056463 /nfs/dbraw/zinc/05/64/63/359056463.db2.gz LPAYMCVPTLTKQP-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2cnccn2)cc1 ZINC000070477287 167607405 /nfs/dbraw/zinc/60/74/05/167607405.db2.gz XPJKDZCYTMOFOI-LBPRGKRZSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2cnccn2)cc1 ZINC000070477288 384111026 /nfs/dbraw/zinc/11/10/26/384111026.db2.gz XPJKDZCYTMOFOI-GFCCVEGCSA-N 0 0 241.338 3.773 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H](C)c1cnccn1 ZINC000070477456 359056974 /nfs/dbraw/zinc/05/69/74/359056974.db2.gz VMCMNXBPPUUYKJ-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H](C)c1cnccn1 ZINC000070477457 359056719 /nfs/dbraw/zinc/05/67/19/359056719.db2.gz VMCMNXBPPUUYKJ-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN CC(C)c1cccc(N[C@@H](C)c2cnccn2)c1 ZINC000070477611 384110732 /nfs/dbraw/zinc/11/07/32/384110732.db2.gz ZYUJSQCYIXDZES-LBPRGKRZSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1cccc(N[C@H](C)c2cnccn2)c1 ZINC000070477612 384110210 /nfs/dbraw/zinc/11/02/10/384110210.db2.gz ZYUJSQCYIXDZES-GFCCVEGCSA-N 0 0 241.338 3.773 20 0 BHADRN CCCc1ccc(N[C@@H](C)c2cnccn2)cc1 ZINC000070477617 643029468 /nfs/dbraw/zinc/02/94/68/643029468.db2.gz LIDZPFBIPNXJOA-LBPRGKRZSA-N 0 0 241.338 3.602 20 0 BHADRN CCCc1ccc(N[C@H](C)c2cnccn2)cc1 ZINC000070477618 643031350 /nfs/dbraw/zinc/03/13/50/643031350.db2.gz LIDZPFBIPNXJOA-GFCCVEGCSA-N 0 0 241.338 3.602 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cnccn2)c(Cl)c1 ZINC000070477828 359056351 /nfs/dbraw/zinc/05/63/51/359056351.db2.gz WZULRMBTXNLGPS-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(N[C@H](C)c2cnccn2)c(Cl)c1 ZINC000070477829 359056673 /nfs/dbraw/zinc/05/66/73/359056673.db2.gz WZULRMBTXNLGPS-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN C[C@H](Nc1ccc2ccccc2c1)c1cnccn1 ZINC000070478156 643029955 /nfs/dbraw/zinc/02/99/55/643029955.db2.gz IXSGLKBKPJWMDB-LBPRGKRZSA-N 0 0 249.317 3.803 20 0 BHADRN C[C@@H](Nc1ccc2ccccc2c1)c1cnccn1 ZINC000070478157 643031285 /nfs/dbraw/zinc/03/12/85/643031285.db2.gz IXSGLKBKPJWMDB-GFCCVEGCSA-N 0 0 249.317 3.803 20 0 BHADRN CCCc1ccccc1N[C@@H](C)c1cnccn1 ZINC000070478306 643031005 /nfs/dbraw/zinc/03/10/05/643031005.db2.gz ZRUNOOBJIGBYMB-LBPRGKRZSA-N 0 0 241.338 3.602 20 0 BHADRN CCCc1ccccc1N[C@H](C)c1cnccn1 ZINC000070478307 643029284 /nfs/dbraw/zinc/02/92/84/643029284.db2.gz ZRUNOOBJIGBYMB-GFCCVEGCSA-N 0 0 241.338 3.602 20 0 BHADRN CC(C)c1nccn1Cc1ccc2c(c1)CCC2 ZINC000070503840 359058676 /nfs/dbraw/zinc/05/86/76/359058676.db2.gz ANQXJJWNKKVVNK-UHFFFAOYSA-N 0 0 240.350 3.544 20 0 BHADRN Cc1ccc(N[C@@H]2CCO[C@H](C(C)C)C2)c(C)c1 ZINC000070535089 355836219 /nfs/dbraw/zinc/83/62/19/355836219.db2.gz ACLBARDCHIWACO-ZBFHGGJFSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1ccc(N[C@H]2CCO[C@H](C(C)C)C2)c(C)c1 ZINC000070535090 355836252 /nfs/dbraw/zinc/83/62/52/355836252.db2.gz ACLBARDCHIWACO-HOCLYGCPSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1ccc(N[C@@H]2CCO[C@@H](C(C)C)C2)c(C)c1 ZINC000070535091 323196859 /nfs/dbraw/zinc/19/68/59/323196859.db2.gz ACLBARDCHIWACO-GDBMZVCRSA-N 0 0 247.382 3.919 20 0 BHADRN Cc1ccc(N[C@H]2CCO[C@@H](C(C)C)C2)c(C)c1 ZINC000070535092 323196833 /nfs/dbraw/zinc/19/68/33/323196833.db2.gz ACLBARDCHIWACO-GOEBONIOSA-N 0 0 247.382 3.919 20 0 BHADRN C[C@@H]1CCC[C@H](CCNc2ccccn2)C1 ZINC000070559907 323200180 /nfs/dbraw/zinc/20/01/80/323200180.db2.gz GBUVBKODZFASJH-CHWSQXEVSA-N 0 0 218.344 3.710 20 0 BHADRN C[C@H]1CCC[C@H](CCNc2ccccn2)C1 ZINC000070559908 323200106 /nfs/dbraw/zinc/20/01/06/323200106.db2.gz GBUVBKODZFASJH-QWHCGFSZSA-N 0 0 218.344 3.710 20 0 BHADRN C[C@@H]1CCC[C@@H](CCNc2ccccn2)C1 ZINC000070559909 323200149 /nfs/dbraw/zinc/20/01/49/323200149.db2.gz GBUVBKODZFASJH-OLZOCXBDSA-N 0 0 218.344 3.710 20 0 BHADRN C[C@H]1CCC[C@@H](CCNc2ccccn2)C1 ZINC000070559910 323200454 /nfs/dbraw/zinc/20/04/54/323200454.db2.gz GBUVBKODZFASJH-STQMWFEESA-N 0 0 218.344 3.710 20 0 BHADRN CCOC(=O)CCCCCSC1CCCC1 ZINC000070596975 323201903 /nfs/dbraw/zinc/20/19/03/323201903.db2.gz OTCGDTUFWDIYDX-UHFFFAOYSA-N 0 0 244.400 3.786 20 0 BHADRN Fc1ccc(NCc2ccc(Cl)s2)nc1 ZINC000070600656 383938880 /nfs/dbraw/zinc/93/88/80/383938880.db2.gz SYPCSADMLFJXAG-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN Fc1cccnc1NCc1ccc(Cl)s1 ZINC000070600667 350546848 /nfs/dbraw/zinc/54/68/48/350546848.db2.gz RYYRYRYUQINHAR-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN CCCNc1nc(Cc2ccccc2)cs1 ZINC000070601609 323203305 /nfs/dbraw/zinc/20/33/05/323203305.db2.gz RBTABXUBZNAJLA-UHFFFAOYSA-N 0 0 232.352 3.556 20 0 BHADRN CC(C)Nc1nc(Cc2ccccc2)cs1 ZINC000070601610 323203306 /nfs/dbraw/zinc/20/33/06/323203306.db2.gz ZSKHIXQGPFZVBO-UHFFFAOYSA-N 0 0 232.352 3.554 20 0 BHADRN CC[C@@H]1CCCN(c2cccc(Cl)n2)CC1 ZINC000070614127 643050624 /nfs/dbraw/zinc/05/06/24/643050624.db2.gz QSGUMZMWWJYBLT-LLVKDONJSA-N 0 0 238.762 3.752 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535531006 /nfs/dbraw/zinc/53/10/06/535531006.db2.gz RGWKOPQVOFTWLR-UHFFFAOYSA-N 0 0 249.383 3.630 20 0 BHADRN CCCN(C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000071949910 169057076 /nfs/dbraw/zinc/05/70/76/169057076.db2.gz KZEKEWHONURRNP-UHFFFAOYSA-N 0 0 240.734 3.522 20 0 BHADRN COCCCc1nc(-c2ccccc2)c(C)s1 ZINC000072037914 174265497 /nfs/dbraw/zinc/26/54/97/174265497.db2.gz YVPONSIIDLFLQN-UHFFFAOYSA-N 0 0 247.363 3.698 20 0 BHADRN Cc1cc([C@@H](C)NC(=O)CCC(C)C)c(C)o1 ZINC000072043100 178220428 /nfs/dbraw/zinc/22/04/28/178220428.db2.gz ZDFTXTGUJDCGTG-LLVKDONJSA-N 0 0 237.343 3.510 20 0 BHADRN Cc1cc([C@H](C)NC(=O)CCC(C)C)c(C)o1 ZINC000072043101 178245215 /nfs/dbraw/zinc/24/52/15/178245215.db2.gz ZDFTXTGUJDCGTG-NSHDSACASA-N 0 0 237.343 3.510 20 0 BHADRN CCCCC(=O)NCC(C)(C)c1cccc(C)c1 ZINC000072046366 325112502 /nfs/dbraw/zinc/11/25/02/325112502.db2.gz MRHLIWLMVRNZGK-UHFFFAOYSA-N 0 0 247.382 3.579 20 0 BHADRN Cc1cc(C)cc(COc2ccc(C)nc2)c1 ZINC000072073245 387124123 /nfs/dbraw/zinc/12/41/23/387124123.db2.gz 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C/C=C/C=C/C(=O)N1CCC2(CCCCC2)CC1 ZINC000072081115 643208923 /nfs/dbraw/zinc/20/89/23/643208923.db2.gz ZWVSPPTYSVGHQG-YNRRLODASA-N 0 0 247.382 3.692 20 0 BHADRN CCC(C)(C)C(=O)Nc1cccc(SC)c1 ZINC000072084445 168268700 /nfs/dbraw/zinc/26/87/00/168268700.db2.gz RDIIDGKRIMEPCL-UHFFFAOYSA-N 0 0 237.368 3.783 20 0 BHADRN CCC(C)(C)C(=O)Nc1ccc(Cl)cc1F ZINC000072084462 168269620 /nfs/dbraw/zinc/26/96/20/168269620.db2.gz SBDCZHHMVTWIJB-UHFFFAOYSA-N 0 0 243.709 3.854 20 0 BHADRN CCC(C)(C)C(=O)Nc1cc(F)ccc1C ZINC000072084463 168269568 /nfs/dbraw/zinc/26/95/68/168269568.db2.gz JPMCIENHSMTTMB-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CCC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000072084644 168269038 /nfs/dbraw/zinc/26/90/38/168269038.db2.gz SLQPOHMFRCRDSJ-UHFFFAOYSA-N 0 0 249.354 3.849 20 0 BHADRN CCC(C)(C)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000072087122 359084461 /nfs/dbraw/zinc/08/44/61/359084461.db2.gz VXGFDTQVFSRNHV-LLVKDONJSA-N 0 0 249.354 3.769 20 0 BHADRN CCC(C)(C)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000072087123 359084274 /nfs/dbraw/zinc/08/42/74/359084274.db2.gz VXGFDTQVFSRNHV-NSHDSACASA-N 0 0 249.354 3.769 20 0 BHADRN CC(C)Sc1cc2c(cc1Cl)OCCO2 ZINC000072090057 167336072 /nfs/dbraw/zinc/33/60/72/167336072.db2.gz LNSXBGWTIUEVBP-UHFFFAOYSA-N 0 0 244.743 3.612 20 0 BHADRN Cc1nnc(S[C@@H](C)c2ccccc2)s1 ZINC000072099399 642486510 /nfs/dbraw/zinc/48/65/10/642486510.db2.gz YOAKZFKNJDPIOX-QMMMGPOBSA-N 0 0 236.365 3.700 20 0 BHADRN Cc1nnc(S[C@H](C)c2ccccc2)s1 ZINC000072099400 642485877 /nfs/dbraw/zinc/48/58/77/642485877.db2.gz YOAKZFKNJDPIOX-MRVPVSSYSA-N 0 0 236.365 3.700 20 0 BHADRN Cc1ccccc1COc1ccc(F)c(F)c1 ZINC000072099989 490364011 /nfs/dbraw/zinc/36/40/11/490364011.db2.gz YYXGSVAEOAIIGU-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN Clc1ccc(Cl)c(OC[C@@H]2CCCO2)c1 ZINC000072204903 325127087 /nfs/dbraw/zinc/12/70/87/325127087.db2.gz SGWJJRXTMZPOAQ-VIFPVBQESA-N 0 0 247.121 3.551 20 0 BHADRN Clc1ccc(Cl)c(OC[C@H]2CCCO2)c1 ZINC000072204904 325126631 /nfs/dbraw/zinc/12/66/31/325126631.db2.gz SGWJJRXTMZPOAQ-SECBINFHSA-N 0 0 247.121 3.551 20 0 BHADRN CC(C)n1cnnc1S[C@@H](C)c1ccccc1 ZINC000072205592 325127131 /nfs/dbraw/zinc/12/71/31/325127131.db2.gz CFUUAVWXMBNESV-NSHDSACASA-N 0 0 247.367 3.712 20 0 BHADRN CC(C)n1cnnc1S[C@H](C)c1ccccc1 ZINC000072205593 325126591 /nfs/dbraw/zinc/12/65/91/325126591.db2.gz CFUUAVWXMBNESV-LLVKDONJSA-N 0 0 247.367 3.712 20 0 BHADRN CC(C)(C)c1ccc(C(=O)NCC2CCC2)cc1 ZINC000072259877 325132927 /nfs/dbraw/zinc/13/29/27/325132927.db2.gz QMRWXCDIMGHETH-UHFFFAOYSA-N 0 0 245.366 3.514 20 0 BHADRN FC(F)C(F)(F)CSCc1ccccc1 ZINC000072265992 180899504 /nfs/dbraw/zinc/89/95/04/180899504.db2.gz YSIJRFWDPJAZBL-UHFFFAOYSA-N 0 0 238.249 3.820 20 0 BHADRN C[C@@H]1CCc2ccccc2N1C(=O)C1CCCC1 ZINC000072496071 412402472 /nfs/dbraw/zinc/40/24/72/412402472.db2.gz FPGKTRJDFRFBRV-GFCCVEGCSA-N 0 0 243.350 3.545 20 0 BHADRN C[C@H]1CCc2ccccc2N1C(=O)C1CCCC1 ZINC000072496072 412402399 /nfs/dbraw/zinc/40/23/99/412402399.db2.gz FPGKTRJDFRFBRV-LBPRGKRZSA-N 0 0 243.350 3.545 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)C(C)(C)C)c1 ZINC000072497833 643258604 /nfs/dbraw/zinc/25/86/04/643258604.db2.gz KYTFNLZFEGKFCY-UHFFFAOYSA-N 0 0 226.703 3.600 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2CC=CCC2)c1C ZINC000072500493 643258745 /nfs/dbraw/zinc/25/87/45/643258745.db2.gz XBBARDLRMGEBBR-ZDUSSCGKSA-N 0 0 230.307 3.565 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2CC=CCC2)c1C ZINC000072500496 643260155 /nfs/dbraw/zinc/26/01/55/643260155.db2.gz XBBARDLRMGEBBR-CYBMUJFWSA-N 0 0 230.307 3.565 20 0 BHADRN Cc1cccc(OC(=O)Cc2cccs2)c1C ZINC000072500583 643259489 /nfs/dbraw/zinc/25/94/89/643259489.db2.gz HTJTWNNILAYJIA-UHFFFAOYSA-N 0 0 246.331 3.513 20 0 BHADRN O=C(Oc1c(Cl)cccc1Cl)C1CCC1 ZINC000072501914 643259572 /nfs/dbraw/zinc/25/95/72/643259572.db2.gz WXYSALLOYFUBJV-UHFFFAOYSA-N 0 0 245.105 3.699 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)Oc1c(Cl)cccc1Cl ZINC000072501922 643260385 /nfs/dbraw/zinc/26/03/85/643260385.db2.gz AMNKBKMSOZFJBN-RQJHMYQMSA-N 0 0 245.105 3.555 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)Oc1c(Cl)cccc1Cl ZINC000072501924 643259493 /nfs/dbraw/zinc/25/94/93/643259493.db2.gz AMNKBKMSOZFJBN-BQBZGAKWSA-N 0 0 245.105 3.555 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)Oc1c(Cl)cccc1Cl ZINC000072501928 643260371 /nfs/dbraw/zinc/26/03/71/643260371.db2.gz AMNKBKMSOZFJBN-RNFRBKRXSA-N 0 0 245.105 3.555 20 0 BHADRN C[C@H]1C[C@H]1C(=O)Oc1c(Cl)cccc1Cl ZINC000072501929 643259211 /nfs/dbraw/zinc/25/92/11/643259211.db2.gz AMNKBKMSOZFJBN-NKWVEPMBSA-N 0 0 245.105 3.555 20 0 BHADRN Cc1cc(F)ccc1NC(=O)CC1CCCC1 ZINC000072503503 412404477 /nfs/dbraw/zinc/40/44/77/412404477.db2.gz SBZCAEGXMSGJKE-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN CCCCCC(=O)Nc1c(F)cc(F)cc1F ZINC000072504855 384223368 /nfs/dbraw/zinc/22/33/68/384223368.db2.gz ZIGGIHBAFPIQEC-UHFFFAOYSA-N 0 0 245.244 3.623 20 0 BHADRN CCCCC(=O)Nc1ccc(C)cc1Cl ZINC000072509906 384222891 /nfs/dbraw/zinc/22/28/91/384222891.db2.gz NZMJULGFZYEKBF-UHFFFAOYSA-N 0 0 225.719 3.777 20 0 BHADRN Cc1ccc(C(C)C)c(OC(=O)C2CCC2)c1 ZINC000072510817 643262522 /nfs/dbraw/zinc/26/25/22/643262522.db2.gz UICVMKILTRKSHP-UHFFFAOYSA-N 0 0 232.323 3.824 20 0 BHADRN Cc1ccc(F)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000072512583 359085366 /nfs/dbraw/zinc/08/53/66/359085366.db2.gz PNXFXNXGVRLLRN-TXEJJXNPSA-N 0 0 249.329 3.537 20 0 BHADRN CCCCC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000072529281 351262042 /nfs/dbraw/zinc/26/20/42/351262042.db2.gz HRXMEPDHUVFSRF-UHFFFAOYSA-N 0 0 247.125 3.517 20 0 BHADRN Cc1cccc(C)c1C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000072544656 325153975 /nfs/dbraw/zinc/15/39/75/325153975.db2.gz WCESSWMICDXTDA-RISCZKNCSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C)c1C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000072544660 325154372 /nfs/dbraw/zinc/15/43/72/325154372.db2.gz WCESSWMICDXTDA-FZMZJTMJSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C)c1C(=O)N1C[C@H](C)CC[C@H]1C ZINC000072544663 325154243 /nfs/dbraw/zinc/15/42/43/325154243.db2.gz WCESSWMICDXTDA-BXUZGUMPSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C)c1C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000072544666 325154258 /nfs/dbraw/zinc/15/42/58/325154258.db2.gz WCESSWMICDXTDA-SMDDNHRTSA-N 0 0 245.366 3.564 20 0 BHADRN CCc1ccc(CC)c(NC(=O)C(C)(C)C)c1 ZINC000072548238 368773686 /nfs/dbraw/zinc/77/36/86/368773686.db2.gz GDOQQQNJPOSLPI-UHFFFAOYSA-N 0 0 233.355 3.796 20 0 BHADRN CCOc1ccc(-c2nc(C)cs2)cc1OC ZINC000072554170 387125526 /nfs/dbraw/zinc/12/55/26/387125526.db2.gz LJDXXTIWXLPHDW-UHFFFAOYSA-N 0 0 249.335 3.526 20 0 BHADRN Clc1ccc(OC[C@@H]2CCCO2)c(Cl)c1 ZINC000072555506 369475736 /nfs/dbraw/zinc/47/57/36/369475736.db2.gz WEZUOSNNJHKXMX-VIFPVBQESA-N 0 0 247.121 3.551 20 0 BHADRN Clc1ccc(OC[C@H]2CCCO2)c(Cl)c1 ZINC000072555507 343277543 /nfs/dbraw/zinc/27/75/43/343277543.db2.gz WEZUOSNNJHKXMX-SECBINFHSA-N 0 0 247.121 3.551 20 0 BHADRN Clc1ccc(OC[C@@H]2CCCO2)cc1Cl ZINC000072555519 343277526 /nfs/dbraw/zinc/27/75/26/343277526.db2.gz LPKNHPCEUWXKBX-VIFPVBQESA-N 0 0 247.121 3.551 20 0 BHADRN Clc1ccc(OC[C@H]2CCCO2)cc1Cl ZINC000072555520 343277406 /nfs/dbraw/zinc/27/74/06/343277406.db2.gz LPKNHPCEUWXKBX-SECBINFHSA-N 0 0 247.121 3.551 20 0 BHADRN Clc1cccc(Cl)c1OC[C@@H]1CCCO1 ZINC000072555699 343277524 /nfs/dbraw/zinc/27/75/24/343277524.db2.gz QPNRFCFJZBGOQG-QMMMGPOBSA-N 0 0 247.121 3.551 20 0 BHADRN Clc1cccc(Cl)c1OC[C@H]1CCCO1 ZINC000072555701 325155139 /nfs/dbraw/zinc/15/51/39/325155139.db2.gz QPNRFCFJZBGOQG-MRVPVSSYSA-N 0 0 247.121 3.551 20 0 BHADRN CCC[C@@H](C)NC(=O)c1oc2ccccc2c1C ZINC000072555896 369476533 /nfs/dbraw/zinc/47/65/33/369476533.db2.gz WCKJTOCCDYSRMJ-SNVBAGLBSA-N 0 0 245.322 3.660 20 0 BHADRN CCC[C@H](C)NC(=O)c1oc2ccccc2c1C ZINC000072555898 369476558 /nfs/dbraw/zinc/47/65/58/369476558.db2.gz WCKJTOCCDYSRMJ-JTQLQIEISA-N 0 0 245.322 3.660 20 0 BHADRN CCCCC[C@@H](C)NC(=O)c1cc(C)oc1C ZINC000072556035 643264432 /nfs/dbraw/zinc/26/44/32/643264432.db2.gz JYKUWKRSTJYRFF-SNVBAGLBSA-N 0 0 237.343 3.595 20 0 BHADRN CCCCC[C@H](C)NC(=O)c1cc(C)oc1C ZINC000072556037 643263464 /nfs/dbraw/zinc/26/34/64/643263464.db2.gz JYKUWKRSTJYRFF-JTQLQIEISA-N 0 0 237.343 3.595 20 0 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/nfs/dbraw/zinc/10/15/01/359101501.db2.gz GTPSXHPALKOZEF-UHFFFAOYSA-N 0 0 237.274 3.652 20 0 BHADRN c1ccc(SCc2nc3ccccc3o2)nc1 ZINC000073415271 352359402 /nfs/dbraw/zinc/35/94/02/352359402.db2.gz KCFATTIUHBGCMH-UHFFFAOYSA-N 0 0 242.303 3.515 20 0 BHADRN C[C@H](c1ccc(F)c(F)c1)N(C)C/C=C/Cl ZINC000073432352 643656544 /nfs/dbraw/zinc/65/65/44/643656544.db2.gz GLNJOWYBEFGUOL-BSPAPZMXSA-N 0 0 245.700 3.710 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000073435793 410035782 /nfs/dbraw/zinc/03/57/82/410035782.db2.gz QKCPIQXYLWWOBW-MRVPVSSYSA-N 0 0 225.719 3.633 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000073435795 410035660 /nfs/dbraw/zinc/03/56/60/410035660.db2.gz QKCPIQXYLWWOBW-QMMMGPOBSA-N 0 0 225.719 3.633 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)N(C)C1CCC1 ZINC000073435893 643656507 /nfs/dbraw/zinc/65/65/07/643656507.db2.gz HVGGPPDWFDAJMN-GFCCVEGCSA-N 0 0 240.391 3.539 20 0 BHADRN CCCCCC[C@H](C)NC(=O)N(C)C1CCC1 ZINC000073435895 643655513 /nfs/dbraw/zinc/65/55/13/643655513.db2.gz 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359103381 /nfs/dbraw/zinc/10/33/81/359103381.db2.gz RFYXPDDUSYGXAB-UHFFFAOYSA-N 0 0 228.267 3.543 20 0 BHADRN Cc1cc2ncn(CCC(F)(F)F)c2cc1C ZINC000073529769 135389542 /nfs/dbraw/zinc/38/95/42/135389542.db2.gz KQASPQXZTRVFJF-UHFFFAOYSA-N 0 0 242.244 3.606 20 0 BHADRN CC(C)(C)C(=O)OCc1cc2ccccc2o1 ZINC000073544309 643680382 /nfs/dbraw/zinc/68/03/82/643680382.db2.gz XMKORWRQFSXVMV-UHFFFAOYSA-N 0 0 232.279 3.522 20 0 BHADRN CC[C@@H](C)C(=O)OCc1cc2ccccc2o1 ZINC000073544331 643680407 /nfs/dbraw/zinc/68/04/07/643680407.db2.gz ROJXEVABSUPWFX-SNVBAGLBSA-N 0 0 232.279 3.522 20 0 BHADRN CC[C@H](C)C(=O)OCc1cc2ccccc2o1 ZINC000073544332 643680134 /nfs/dbraw/zinc/68/01/34/643680134.db2.gz ROJXEVABSUPWFX-JTQLQIEISA-N 0 0 232.279 3.522 20 0 BHADRN CCC(CC)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000073544996 368809194 /nfs/dbraw/zinc/80/91/94/368809194.db2.gz ICJJOSSIVSOZFD-LBPRGKRZSA-N 0 0 233.355 3.608 20 0 BHADRN CCC(CC)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000073544997 368809088 /nfs/dbraw/zinc/80/90/88/368809088.db2.gz 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CC/C=C(/C)C(=O)NC1CCCCCCC1 ZINC000073810223 644130560 /nfs/dbraw/zinc/13/05/60/644130560.db2.gz RGOZQWZPARKXOU-XFXZXTDPSA-N 0 0 223.360 3.572 20 0 BHADRN CC/C=C(/C)C(=O)Nc1cccc(Cl)c1 ZINC000073821555 643223057 /nfs/dbraw/zinc/22/30/57/643223057.db2.gz LTYZSFWKSYRQDF-UITAMQMPSA-N 0 0 223.703 3.635 20 0 BHADRN CC/C=C(/C)C(=O)Nc1cc(C)cc(C)c1 ZINC000073822455 643223128 /nfs/dbraw/zinc/22/31/28/643223128.db2.gz DNWSSRNVLSFHGG-SDQBBNPISA-N 0 0 217.312 3.598 20 0 BHADRN Cc1cc(C)c(NC(=O)/C=C/C2CC2)c(C)c1 ZINC000073848808 368817894 /nfs/dbraw/zinc/81/78/94/368817894.db2.gz JDOSIPOYRNPYKS-VOTSOKGWSA-N 0 0 229.323 3.517 20 0 BHADRN Cc1cc(C)c(NC(=O)CC2CCC2)c(C)c1 ZINC000073848840 384267521 /nfs/dbraw/zinc/26/75/21/384267521.db2.gz CIOFYCXGNDRRJN-UHFFFAOYSA-N 0 0 231.339 3.741 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000073848852 368818145 /nfs/dbraw/zinc/81/81/45/368818145.db2.gz GLTSQOKCNKTORR-ZIAGYGMSSA-N 0 0 245.366 3.987 20 0 BHADRN CCc1cccc(C)c1NC(=O)CC1CCC1 ZINC000073848975 384267623 /nfs/dbraw/zinc/26/76/23/384267623.db2.gz FDRAITZKFXVCSU-UHFFFAOYSA-N 0 0 231.339 3.686 20 0 BHADRN CCC(CC)NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000073850091 325214649 /nfs/dbraw/zinc/21/46/49/325214649.db2.gz BJOFGOCKFGMQMV-OAHLLOKOSA-N 0 0 247.382 3.731 20 0 BHADRN CCC(CC)NC(=O)[C@H](c1ccccc1)C(C)C ZINC000073850093 325214525 /nfs/dbraw/zinc/21/45/25/325214525.db2.gz BJOFGOCKFGMQMV-HNNXBMFYSA-N 0 0 247.382 3.731 20 0 BHADRN CCc1cccc(CC)c1NC(=O)CC1CCC1 ZINC000073850536 188131984 /nfs/dbraw/zinc/13/19/84/188131984.db2.gz BQDIBBDWNAEXLR-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1c(C)cccc1C ZINC000073850779 364237457 /nfs/dbraw/zinc/23/74/57/364237457.db2.gz XPJYRNIYIJOJAI-CHWSQXEVSA-N 0 0 231.339 3.678 20 0 BHADRN CCCC(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000073853981 384267542 /nfs/dbraw/zinc/26/75/42/384267542.db2.gz BXFHEZKHIVIGAO-UHFFFAOYSA-N 0 0 245.244 3.752 20 0 BHADRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(C)C ZINC000073853990 178457075 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BHADRN CC(C)(C)CC(=O)Nc1cccc2[nH]ccc21 ZINC000074842651 359131544 /nfs/dbraw/zinc/13/15/44/359131544.db2.gz AFTODIFZQPVQTF-UHFFFAOYSA-N 0 0 230.311 3.543 20 0 BHADRN CCCCC(=O)N(C)Cc1cc2ccccc2o1 ZINC000074854465 384307175 /nfs/dbraw/zinc/30/71/75/384307175.db2.gz CFBTZQOMODLQMH-UHFFFAOYSA-N 0 0 245.322 3.581 20 0 BHADRN CCCCC(=O)N1CC[C@H](C)c2ccccc21 ZINC000074865560 534935098 /nfs/dbraw/zinc/93/50/98/534935098.db2.gz XEXRQMTUNZIJAE-LBPRGKRZSA-N 0 0 231.339 3.717 20 0 BHADRN CCCCC(=O)N1CC[C@@H](C)c2ccccc21 ZINC000074865562 359132330 /nfs/dbraw/zinc/13/23/30/359132330.db2.gz XEXRQMTUNZIJAE-GFCCVEGCSA-N 0 0 231.339 3.717 20 0 BHADRN CC(C)CC(=O)N1CC[C@@H](C)c2ccccc21 ZINC000074865567 359132659 /nfs/dbraw/zinc/13/26/59/359132659.db2.gz OIVCFPKEHDAZEC-GFCCVEGCSA-N 0 0 231.339 3.573 20 0 BHADRN CC(C)CC(=O)N1CC[C@H](C)c2ccccc21 ZINC000074865570 359132494 /nfs/dbraw/zinc/13/24/94/359132494.db2.gz OIVCFPKEHDAZEC-LBPRGKRZSA-N 0 0 231.339 3.573 20 0 BHADRN CCCCC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000074878768 323008978 /nfs/dbraw/zinc/00/89/78/323008978.db2.gz QVMBLDVBRFGHOL-NSHDSACASA-N 0 0 249.379 3.704 20 0 BHADRN CCCCC(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000074878773 323009023 /nfs/dbraw/zinc/00/90/23/323009023.db2.gz QVMBLDVBRFGHOL-LLVKDONJSA-N 0 0 249.379 3.704 20 0 BHADRN CC(C)CC(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000074878774 323009026 /nfs/dbraw/zinc/00/90/26/323009026.db2.gz YWTKZPAFSMEKPU-LLVKDONJSA-N 0 0 249.379 3.560 20 0 BHADRN CC(C)CC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000074878777 323008996 /nfs/dbraw/zinc/00/89/96/323008996.db2.gz YWTKZPAFSMEKPU-NSHDSACASA-N 0 0 249.379 3.560 20 0 BHADRN CCCCC(=O)N1c2ccccc2SC[C@@H]1C ZINC000074878987 388462068 /nfs/dbraw/zinc/46/20/68/388462068.db2.gz GBTVLGSBBASPOQ-NSHDSACASA-N 0 0 249.379 3.704 20 0 BHADRN CCCCC(=O)N1c2ccccc2SC[C@H]1C ZINC000074878989 388462401 /nfs/dbraw/zinc/46/24/01/388462401.db2.gz GBTVLGSBBASPOQ-LLVKDONJSA-N 0 0 249.379 3.704 20 0 BHADRN CC(C)CC(=O)N1c2ccccc2SC[C@H]1C ZINC000074878991 388462172 /nfs/dbraw/zinc/46/21/72/388462172.db2.gz AXRGQNOEYSDZJN-LLVKDONJSA-N 0 0 249.379 3.560 20 0 BHADRN CC(C)CC(=O)N1c2ccccc2SC[C@@H]1C ZINC000074878992 262923793 /nfs/dbraw/zinc/92/37/93/262923793.db2.gz AXRGQNOEYSDZJN-NSHDSACASA-N 0 0 249.379 3.560 20 0 BHADRN C[C@@H]1CN(C(=O)CC(C)(C)C)Cc2ccccc21 ZINC000074910084 641731710 /nfs/dbraw/zinc/73/17/10/641731710.db2.gz NENIXBAUVPFEOJ-GFCCVEGCSA-N 0 0 245.366 3.569 20 0 BHADRN C[C@H]1CN(C(=O)CC(C)(C)C)Cc2ccccc21 ZINC000074910085 641730979 /nfs/dbraw/zinc/73/09/79/641730979.db2.gz NENIXBAUVPFEOJ-LBPRGKRZSA-N 0 0 245.366 3.569 20 0 BHADRN C[C@@H]1c2ccccc2CCN1C(=O)CC(C)(C)C ZINC000074910597 384311516 /nfs/dbraw/zinc/31/15/16/384311516.db2.gz YEENJGKAOAYPTC-GFCCVEGCSA-N 0 0 245.366 3.569 20 0 BHADRN C[C@H]1c2ccccc2CCN1C(=O)CC(C)(C)C ZINC000074910598 384312208 /nfs/dbraw/zinc/31/22/08/384312208.db2.gz YEENJGKAOAYPTC-LBPRGKRZSA-N 0 0 245.366 3.569 20 0 BHADRN CCCC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000074910731 385294080 /nfs/dbraw/zinc/29/40/80/385294080.db2.gz JHQYXNICIZBLAO-UHFFFAOYSA-N 0 0 243.350 3.645 20 0 BHADRN C[C@@H]1CN(C(=O)c2cccs2)c2ccccc21 ZINC000074914007 135390242 /nfs/dbraw/zinc/39/02/42/135390242.db2.gz NCELSVAXORWRPQ-SNVBAGLBSA-N 0 0 243.331 3.512 20 0 BHADRN C[C@@H]1CN(C(=O)CC(C)(C)C)c2ccccc21 ZINC000074914078 359135121 /nfs/dbraw/zinc/13/51/21/359135121.db2.gz MLZMGVFFIGOTCC-LLVKDONJSA-N 0 0 231.339 3.573 20 0 BHADRN CCCC(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000074914202 359135460 /nfs/dbraw/zinc/13/54/60/359135460.db2.gz MSHALIRAXCETHQ-CYBMUJFWSA-N 0 0 231.339 3.573 20 0 BHADRN CCCC(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC000074914204 535341495 /nfs/dbraw/zinc/34/14/95/535341495.db2.gz MSHALIRAXCETHQ-ZDUSSCGKSA-N 0 0 231.339 3.573 20 0 BHADRN CC(C)[C@@H]1CN(C(=O)C2CCC2)c2ccccc21 ZINC000074914247 134951178 /nfs/dbraw/zinc/95/11/78/134951178.db2.gz LYPRWRMWRHTZPN-AWEZNQCLSA-N 0 0 243.350 3.573 20 0 BHADRN CC(C)[C@H]1CN(C(=O)C2CCC2)c2ccccc21 ZINC000074914249 359135052 /nfs/dbraw/zinc/13/50/52/359135052.db2.gz LYPRWRMWRHTZPN-CQSZACIVSA-N 0 0 243.350 3.573 20 0 BHADRN CC(C)c1ccccc1NC(=O)NC(C)(C)C ZINC000074921534 187277479 /nfs/dbraw/zinc/27/74/79/187277479.db2.gz FHVTUROAWHXFNA-UHFFFAOYSA-N 0 0 234.343 3.730 20 0 BHADRN CC(C)(C)CNC(=O)Nc1ccccc1Cl ZINC000074921537 384237304 /nfs/dbraw/zinc/23/73/04/384237304.db2.gz YMHKBOZHWNXVMI-UHFFFAOYSA-N 0 0 240.734 3.508 20 0 BHADRN CC(C)(C)CNC(=O)Nc1cccc(Cl)c1 ZINC000074921538 384235676 /nfs/dbraw/zinc/23/56/76/384235676.db2.gz WKILNGVWNGVDBB-UHFFFAOYSA-N 0 0 240.734 3.508 20 0 BHADRN CC(C)(C)CNC(=O)Nc1ccc(Cl)cc1 ZINC000074921539 384235507 /nfs/dbraw/zinc/23/55/07/384235507.db2.gz NZUNOUMYDJBEOD-UHFFFAOYSA-N 0 0 240.734 3.508 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)NC(C)(C)C ZINC000074921540 384311958 /nfs/dbraw/zinc/31/19/58/384311958.db2.gz JVFXMBNDQHWQGE-UHFFFAOYSA-N 0 0 240.734 3.568 20 0 BHADRN Cc1cc(Cl)ccc1NC(=O)NC(C)(C)C ZINC000074921541 384311050 /nfs/dbraw/zinc/31/10/50/384311050.db2.gz BNIHXLCGVILOPS-UHFFFAOYSA-N 0 0 240.734 3.568 20 0 BHADRN Cc1cccc(C)c1C(=O)NCC1(C)CCCC1 ZINC000074950197 325271077 /nfs/dbraw/zinc/27/10/77/325271077.db2.gz JIYZDVRKAZKRHK-UHFFFAOYSA-N 0 0 245.366 3.614 20 0 BHADRN CCCC(=O)Nc1cc(-c2ccccc2)ns1 ZINC000074952548 344766270 /nfs/dbraw/zinc/76/62/70/344766270.db2.gz GWFJAUTUVQDKCN-UHFFFAOYSA-N 0 0 246.335 3.549 20 0 BHADRN Cc1cccc(C)c1C(=O)Nc1ccsc1 ZINC000074953340 344766155 /nfs/dbraw/zinc/76/61/55/344766155.db2.gz BJUDYOGXMBPBLO-UHFFFAOYSA-N 0 0 231.320 3.617 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000074957503 344766480 /nfs/dbraw/zinc/76/64/80/344766480.db2.gz KXHJSKGFEPWYPF-BXUZGUMPSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cc(C(=O)Nc2ccccc2Cl)c(C)[nH]1 ZINC000074958267 488031450 /nfs/dbraw/zinc/03/14/50/488031450.db2.gz PWCVWOBRKXEMBP-UHFFFAOYSA-N 0 0 248.713 3.537 20 0 BHADRN Cc1cc(C(=O)Nc2cccc(Cl)c2)c(C)[nH]1 ZINC000074958269 488031774 /nfs/dbraw/zinc/03/17/74/488031774.db2.gz RZHSSHFTIQRONS-UHFFFAOYSA-N 0 0 248.713 3.537 20 0 BHADRN Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)[nH]1 ZINC000074958271 488031797 /nfs/dbraw/zinc/03/17/97/488031797.db2.gz HJCBEQRIKCVFIM-UHFFFAOYSA-N 0 0 248.713 3.537 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000074958942 325271376 /nfs/dbraw/zinc/27/13/76/325271376.db2.gz VWYUTFTWECMIED-FZMZJTMJSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000074958944 325271443 /nfs/dbraw/zinc/27/14/43/325271443.db2.gz VWYUTFTWECMIED-RISCZKNCSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CCC[C@H](C)[C@H]1C ZINC000074958945 325271382 /nfs/dbraw/zinc/27/13/82/325271382.db2.gz VWYUTFTWECMIED-SMDDNHRTSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000074958948 325271093 /nfs/dbraw/zinc/27/10/93/325271093.db2.gz VWYUTFTWECMIED-BXUZGUMPSA-N 0 0 245.366 3.564 20 0 BHADRN CCCC(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000074983558 388461677 /nfs/dbraw/zinc/46/16/77/388461677.db2.gz BTVVIEUGCVSOKX-UHFFFAOYSA-N 0 0 235.327 3.603 20 0 BHADRN CC(C)(C)Oc1ccc(NC(=O)C2CCC2)cc1 ZINC000074983570 398212519 /nfs/dbraw/zinc/21/25/19/398212519.db2.gz ULXHLTGBVXAPOJ-UHFFFAOYSA-N 0 0 247.338 3.603 20 0 BHADRN CCCC(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000074983891 388462196 /nfs/dbraw/zinc/46/21/96/388462196.db2.gz ZDUDGVXQMDITOF-UHFFFAOYSA-N 0 0 235.327 3.521 20 0 BHADRN CCC(C)(C)CC(=O)Oc1ccc(C(C)=O)cc1 ZINC000075025306 641738418 /nfs/dbraw/zinc/73/84/18/641738418.db2.gz VKGRFPSWBZMYIH-UHFFFAOYSA-N 0 0 248.322 3.621 20 0 BHADRN CCC(C)(C)CC(=O)Oc1cccc(C(C)=O)c1 ZINC000075025420 641740256 /nfs/dbraw/zinc/74/02/56/641740256.db2.gz AJWFMQJCWHTYBR-UHFFFAOYSA-N 0 0 248.322 3.621 20 0 BHADRN CCC(C)(C)CC(=O)Nc1c(F)cccc1F ZINC000075078249 344764924 /nfs/dbraw/zinc/76/49/24/344764924.db2.gz QTAAUBLSFNHFLE-UHFFFAOYSA-N 0 0 241.281 3.730 20 0 BHADRN c1cc2cccc(NC3CCCC3)c2[nH]1 ZINC000075125624 344767917 /nfs/dbraw/zinc/76/79/17/344767917.db2.gz AWPQZPWAGJEHDY-UHFFFAOYSA-N 0 0 200.285 3.522 20 0 BHADRN CCC(CC)Nc1cccc2cc[nH]c21 ZINC000075127449 343360389 /nfs/dbraw/zinc/36/03/89/343360389.db2.gz BBVNLNJSWGZJDJ-UHFFFAOYSA-N 0 0 202.301 3.768 20 0 BHADRN Cc1cnc(NC2CCCCCC2)s1 ZINC000075135613 344767886 /nfs/dbraw/zinc/76/78/86/344767886.db2.gz AGYHKMVANKIJTA-UHFFFAOYSA-N 0 0 210.346 3.586 20 0 BHADRN CC1(C)Cc2cc(NC3CCCC3)ccc2O1 ZINC000075168049 643248169 /nfs/dbraw/zinc/24/81/69/643248169.db2.gz BXTLOSLUOFGICX-UHFFFAOYSA-N 0 0 231.339 3.755 20 0 BHADRN Cc1nc2cc(NC3CCCC3)ccc2s1 ZINC000075168994 632593240 /nfs/dbraw/zinc/59/32/40/632593240.db2.gz LSSCYSJEESDMEX-UHFFFAOYSA-N 0 0 232.352 3.959 20 0 BHADRN Clc1cc(Cl)cc(NC2CSC2)c1 ZINC000075170088 490518717 /nfs/dbraw/zinc/51/87/17/490518717.db2.gz HGHYMEOQEZEVDA-UHFFFAOYSA-N 0 0 234.151 3.521 20 0 BHADRN CC[C@@H](C)NC(=O)C(CC)(CC)c1ccccc1 ZINC000075182466 325283849 /nfs/dbraw/zinc/28/38/49/325283849.db2.gz XORDNBLMTFYGFZ-CYBMUJFWSA-N 0 0 247.382 3.659 20 0 BHADRN CC[C@H](C)NC(=O)C(CC)(CC)c1ccccc1 ZINC000075182467 325283715 /nfs/dbraw/zinc/28/37/15/325283715.db2.gz XORDNBLMTFYGFZ-ZDUSSCGKSA-N 0 0 247.382 3.659 20 0 BHADRN CCC(CC)(C(=O)NCC(C)C)c1ccccc1 ZINC000075182633 325283880 /nfs/dbraw/zinc/28/38/80/325283880.db2.gz VYHMXBXBXCARHE-UHFFFAOYSA-N 0 0 247.382 3.517 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@@H]1CCCS1 ZINC000075190695 188133204 /nfs/dbraw/zinc/13/32/04/188133204.db2.gz JRWQDRLNWHKDLM-ZDUSSCGKSA-N 0 0 249.379 3.644 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@H]1CCCS1 ZINC000075190698 398217717 /nfs/dbraw/zinc/21/77/17/398217717.db2.gz JRWQDRLNWHKDLM-CYBMUJFWSA-N 0 0 249.379 3.644 20 0 BHADRN CCCCCCNC(=O)CC1CCCCC1 ZINC000075242856 632855864 /nfs/dbraw/zinc/85/58/64/632855864.db2.gz PBMOFEZKXCBFKF-UHFFFAOYSA-N 0 0 225.376 3.653 20 0 BHADRN CC(C)(C)OC(=O)NC1CCCCCCC1 ZINC000075244059 631255651 /nfs/dbraw/zinc/25/56/51/631255651.db2.gz HCKVMKZIIJLTMJ-UHFFFAOYSA-N 0 0 227.348 3.624 20 0 BHADRN CC(C)(C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000075244074 632871965 /nfs/dbraw/zinc/87/19/65/632871965.db2.gz BQCFFJBLAUQYJM-UHFFFAOYSA-N 0 0 229.364 3.726 20 0 BHADRN CC(C)CN(CC(C)C)C(=O)OC(C)(C)C 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ZINC000076173103 344798640 /nfs/dbraw/zinc/79/86/40/344798640.db2.gz VBWZCTFYDJIUFH-STQMWFEESA-N 0 0 247.382 3.515 20 0 BHADRN CC[C@@H](C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000076173104 344798748 /nfs/dbraw/zinc/79/87/48/344798748.db2.gz VBWZCTFYDJIUFH-CHWSQXEVSA-N 0 0 247.382 3.515 20 0 BHADRN CC[C@H](C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000076173105 344798768 /nfs/dbraw/zinc/79/87/68/344798768.db2.gz VBWZCTFYDJIUFH-QWHCGFSZSA-N 0 0 247.382 3.515 20 0 BHADRN CC(C)CC(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000076173430 370230667 /nfs/dbraw/zinc/23/06/67/370230667.db2.gz BZJNRIFJGRLDMQ-ZDUSSCGKSA-N 0 0 247.382 3.515 20 0 BHADRN CC(C)CC(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000076173431 370230939 /nfs/dbraw/zinc/23/09/39/370230939.db2.gz BZJNRIFJGRLDMQ-CYBMUJFWSA-N 0 0 247.382 3.515 20 0 BHADRN CCCCC(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000076173456 370230657 /nfs/dbraw/zinc/23/06/57/370230657.db2.gz YZHJPWNLTYUMEX-ZDUSSCGKSA-N 0 0 247.382 3.659 20 0 BHADRN CCCCC(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000076173457 370230929 /nfs/dbraw/zinc/23/09/29/370230929.db2.gz YZHJPWNLTYUMEX-CYBMUJFWSA-N 0 0 247.382 3.659 20 0 BHADRN CCC(C)(C)C(=O)Nc1cc(F)ccc1Cl ZINC000076178133 168269582 /nfs/dbraw/zinc/26/95/82/168269582.db2.gz KLYBYFDIWNRIMD-UHFFFAOYSA-N 0 0 243.709 3.854 20 0 BHADRN CC/C=C(/C)C(=O)Nc1cc(F)ccc1Cl ZINC000076179183 167828360 /nfs/dbraw/zinc/82/83/60/167828360.db2.gz VISFGWRFMRMZPK-YWEYNIOJSA-N 0 0 241.693 3.774 20 0 BHADRN C/C=C/C=C/C(=O)Nc1cc(F)ccc1Cl ZINC000076179198 325335384 /nfs/dbraw/zinc/33/53/84/325335384.db2.gz WEXZPDILPIIWHD-MQQKCMAXSA-N 0 0 239.677 3.550 20 0 BHADRN CC(C)CCC(=O)Nc1cc(F)ccc1Cl ZINC000076179760 370232810 /nfs/dbraw/zinc/23/28/10/370232810.db2.gz YUVNPAABQRTCRC-UHFFFAOYSA-N 0 0 243.709 3.854 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1cc(F)ccc1Cl ZINC000076180069 169353013 /nfs/dbraw/zinc/35/30/13/169353013.db2.gz WUINDGYJFFETOR-MRVPVSSYSA-N 0 0 243.709 3.854 20 0 BHADRN CCC[C@H](C)C(=O)Nc1cc(F)ccc1Cl ZINC000076180071 398233234 /nfs/dbraw/zinc/23/32/34/398233234.db2.gz WUINDGYJFFETOR-QMMMGPOBSA-N 0 0 243.709 3.854 20 0 BHADRN CCC(CC)C(=O)Nc1cc(F)ccc1Cl ZINC000076180139 168340344 /nfs/dbraw/zinc/34/03/44/168340344.db2.gz SNBQSDAGHCHSQE-UHFFFAOYSA-N 0 0 243.709 3.854 20 0 BHADRN O=C(Nc1cc(F)ccc1Cl)C1CCCC1 ZINC000076180161 182349991 /nfs/dbraw/zinc/34/99/91/182349991.db2.gz WMMMNIXTRRQFHH-UHFFFAOYSA-N 0 0 241.693 3.608 20 0 BHADRN CC(C)(C)CC(=O)Nc1cc(F)ccc1Cl ZINC000076180197 398233087 /nfs/dbraw/zinc/23/30/87/398233087.db2.gz JGHFUZOAPOVDGE-UHFFFAOYSA-N 0 0 243.709 3.854 20 0 BHADRN O=C(Nc1cc(F)ccc1Cl)c1ccccc1 ZINC000076180223 370233314 /nfs/dbraw/zinc/23/33/14/370233314.db2.gz SZQQZRJTVQRXRY-UHFFFAOYSA-N 0 0 249.672 3.731 20 0 BHADRN CCCCC(=O)Nc1cc(F)ccc1Cl ZINC000076180308 398233188 /nfs/dbraw/zinc/23/31/88/398233188.db2.gz LRKURWAZSVWPBN-UHFFFAOYSA-N 0 0 229.682 3.608 20 0 BHADRN CCCCC[C@H](NC(=O)C1CC1)c1ccccc1 ZINC000076180655 641797819 /nfs/dbraw/zinc/79/78/19/641797819.db2.gz AIELYMAYXSSHKY-HNNXBMFYSA-N 0 0 245.366 3.834 20 0 BHADRN CCCCC[C@@H](NC(=O)C1CC1)c1ccccc1 ZINC000076180657 641797399 /nfs/dbraw/zinc/79/73/99/641797399.db2.gz AIELYMAYXSSHKY-OAHLLOKOSA-N 0 0 245.366 3.834 20 0 BHADRN CCCCC[C@H](NC(=O)CC)c1ccccc1 ZINC000076180663 641798402 /nfs/dbraw/zinc/79/84/02/641798402.db2.gz XKOHXOVRYCJCHI-AWEZNQCLSA-N 0 0 233.355 3.834 20 0 BHADRN CCCCC[C@@H](NC(=O)CC)c1ccccc1 ZINC000076180664 641798363 /nfs/dbraw/zinc/79/83/63/641798363.db2.gz XKOHXOVRYCJCHI-CQSZACIVSA-N 0 0 233.355 3.834 20 0 BHADRN COc1ccccc1CCCNc1ccccc1 ZINC000076286930 175322724 /nfs/dbraw/zinc/32/27/24/175322724.db2.gz JKDBQDKVEBMWGA-UHFFFAOYSA-N 0 0 241.334 3.740 20 0 BHADRN COc1cccc(CCCNc2ccccc2)c1 ZINC000076287074 175252013 /nfs/dbraw/zinc/25/20/13/175252013.db2.gz UZIURWFRWSNLAV-UHFFFAOYSA-N 0 0 241.334 3.740 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000076293201 359278150 /nfs/dbraw/zinc/27/81/50/359278150.db2.gz KTRQBGKKQZVTQI-YUQOPSFVSA-N 0 0 247.363 3.544 20 0 BHADRN Cc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000076316075 384767164 /nfs/dbraw/zinc/76/71/64/384767164.db2.gz QPPNZYNMJOVQMA-UHFFFAOYSA-N 0 0 227.691 3.911 20 0 BHADRN CCCCCC(=O)N1C[C@@H](C)c2ccccc21 ZINC000076338139 534961971 /nfs/dbraw/zinc/96/19/71/534961971.db2.gz KQFSZBOGEKZIIV-GFCCVEGCSA-N 0 0 231.339 3.717 20 0 BHADRN C[C@@H]1CN(C(=O)C2CCCCC2)c2ccccc21 ZINC000076338141 488114750 /nfs/dbraw/zinc/11/47/50/488114750.db2.gz TVJLJSYQHKBMTB-GFCCVEGCSA-N 0 0 243.350 3.717 20 0 BHADRN C[C@@H]1CN(C(=O)CC2CCCC2)c2ccccc21 ZINC000076338160 135027658 /nfs/dbraw/zinc/02/76/58/135027658.db2.gz MVYIQCGUGVPSCM-GFCCVEGCSA-N 0 0 243.350 3.717 20 0 BHADRN CCC[C@@H](C)C(=O)N1C[C@H](C)c2ccccc21 ZINC000076338233 325341237 /nfs/dbraw/zinc/34/12/37/325341237.db2.gz ANVQHORPQDJGRM-NEPJUHHUSA-N 0 0 231.339 3.573 20 0 BHADRN CCC[C@@H](C)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000076338235 325341409 /nfs/dbraw/zinc/34/14/09/325341409.db2.gz ANVQHORPQDJGRM-VXGBXAGGSA-N 0 0 231.339 3.573 20 0 BHADRN CCC[C@H](C)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000076338238 325341506 /nfs/dbraw/zinc/34/15/06/325341506.db2.gz ANVQHORPQDJGRM-NWDGAFQWSA-N 0 0 231.339 3.573 20 0 BHADRN C[C@@H]1CN(C(=O)c2ccsc2)c2ccccc21 ZINC000076338247 135027501 /nfs/dbraw/zinc/02/75/01/135027501.db2.gz JFCZYERUCNGTJG-SNVBAGLBSA-N 0 0 243.331 3.512 20 0 BHADRN CC(C)CCC(=O)N1C[C@@H](C)c2ccccc21 ZINC000076338515 135027549 /nfs/dbraw/zinc/02/75/49/135027549.db2.gz DZIMMKGDOSOBHO-GFCCVEGCSA-N 0 0 231.339 3.573 20 0 BHADRN CCc1cccc(C)c1NC(=O)NCC(C)(C)C ZINC000076409485 325344442 /nfs/dbraw/zinc/34/44/42/325344442.db2.gz PKWLZNQPDCCDJG-UHFFFAOYSA-N 0 0 248.370 3.725 20 0 BHADRN Fc1ccc(Oc2nc3ccccc3o2)cc1 ZINC000076411068 344802564 /nfs/dbraw/zinc/80/25/64/344802564.db2.gz KAZULKPXMWULNA-UHFFFAOYSA-N 0 0 229.210 3.759 20 0 BHADRN COc1ccccc1Oc1nc2ccccc2o1 ZINC000076411561 344802665 /nfs/dbraw/zinc/80/26/65/344802665.db2.gz WLLHNTZSWBXHGV-UHFFFAOYSA-N 0 0 241.246 3.629 20 0 BHADRN CC(C)c1ccccc1NC(=O)NCC(C)(C)C ZINC000076413002 325344110 /nfs/dbraw/zinc/34/41/10/325344110.db2.gz DXVWZPNQBGDYGR-UHFFFAOYSA-N 0 0 248.370 3.978 20 0 BHADRN Cc1cc(OCc2ccon2)ccc1C(C)C ZINC000076421794 488118591 /nfs/dbraw/zinc/11/85/91/488118591.db2.gz AYSKPXCROKZTGY-UHFFFAOYSA-N 0 0 231.295 3.685 20 0 BHADRN CC(C)(C)c1ccc(OCc2ccon2)cc1 ZINC000076421798 325344814 /nfs/dbraw/zinc/34/48/14/325344814.db2.gz ANXMYCANPBLQIJ-UHFFFAOYSA-N 0 0 231.295 3.551 20 0 BHADRN Clc1cccc(OCc2ccon2)c1Cl ZINC000076421965 490057360 /nfs/dbraw/zinc/05/73/60/490057360.db2.gz DCUZFFSNIOHWQQ-UHFFFAOYSA-N 0 0 244.077 3.560 20 0 BHADRN Clc1ccc(Cl)c(OCc2ccon2)c1 ZINC000076422355 344802702 /nfs/dbraw/zinc/80/27/02/344802702.db2.gz PUCVDJWVUPBVJR-UHFFFAOYSA-N 0 0 244.077 3.560 20 0 BHADRN Cc1ccc(C(C)C)cc1OCc1ccon1 ZINC000076422510 364389296 /nfs/dbraw/zinc/38/92/96/364389296.db2.gz UVOHYWBLNVHOQU-UHFFFAOYSA-N 0 0 231.295 3.685 20 0 BHADRN CC(C)(C)c1cccc(OCc2ccon2)c1 ZINC000076422607 488118993 /nfs/dbraw/zinc/11/89/93/488118993.db2.gz KCMHTBNVKONQMB-UHFFFAOYSA-N 0 0 231.295 3.551 20 0 BHADRN Cc1cc(OCc2ccon2)cc(C)c1Cl ZINC000076423935 488119236 /nfs/dbraw/zinc/11/92/36/488119236.db2.gz RHCCQPIPKSICMP-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN CC/C=C(/C)C(=O)NC(C)(C)c1cccc(F)c1 ZINC000076450375 398240315 /nfs/dbraw/zinc/24/03/15/398240315.db2.gz WWOAFVNZSCHRAO-XFFZJAGNSA-N 0 0 249.329 3.533 20 0 BHADRN CCC(CC)NC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000076486346 325346355 /nfs/dbraw/zinc/34/63/55/325346355.db2.gz CHCSYLDNTRGLLO-LBPRGKRZSA-N 0 0 248.370 3.544 20 0 BHADRN CCC(CC)NC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000076486350 325346350 /nfs/dbraw/zinc/34/63/50/325346350.db2.gz CHCSYLDNTRGLLO-GFCCVEGCSA-N 0 0 248.370 3.544 20 0 BHADRN Cc1ccc(NC(=O)N(C)CCC(C)C)cc1 ZINC000076496465 370299470 /nfs/dbraw/zinc/29/94/70/370299470.db2.gz BDFGSKXBVDPNNI-UHFFFAOYSA-N 0 0 234.343 3.505 20 0 BHADRN Cc1cccc(NC(=O)N(C)CCC(C)C)c1 ZINC000076496472 370298898 /nfs/dbraw/zinc/29/88/98/370298898.db2.gz VRMKEIJWEADUFH-UHFFFAOYSA-N 0 0 234.343 3.505 20 0 BHADRN CCCCC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000076496848 168611859 /nfs/dbraw/zinc/61/18/59/168611859.db2.gz RNBKDEFNVOZCSX-CYBMUJFWSA-N 0 0 249.354 3.914 20 0 BHADRN CCCCC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000076496852 398242085 /nfs/dbraw/zinc/24/20/85/398242085.db2.gz RNBKDEFNVOZCSX-ZDUSSCGKSA-N 0 0 249.354 3.914 20 0 BHADRN O=C(C1CCC1)N1CCCCC[C@H]1c1ccco1 ZINC000076496879 398241971 /nfs/dbraw/zinc/24/19/71/398241971.db2.gz ATEXKKQPVDDPJL-ZDUSSCGKSA-N 0 0 247.338 3.523 20 0 BHADRN O=C(C1CCC1)N1CCCCC[C@@H]1c1ccco1 ZINC000076496883 398241911 /nfs/dbraw/zinc/24/19/11/398241911.db2.gz ATEXKKQPVDDPJL-CYBMUJFWSA-N 0 0 247.338 3.523 20 0 BHADRN Brc1ccccc1OCC1CCC1 ZINC000076499756 384771344 /nfs/dbraw/zinc/77/13/44/384771344.db2.gz JJLCBIXLGZWOLV-UHFFFAOYSA-N 0 0 241.128 3.628 20 0 BHADRN C[C@@H](CC(=O)N[C@@H](C)C1CCCCC1)C1CC1 ZINC000076502124 641815628 /nfs/dbraw/zinc/81/56/28/641815628.db2.gz SBTFKPLVXYDHDI-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@@H](C)C1CCCCC1)C1CC1 ZINC000076502126 641815545 /nfs/dbraw/zinc/81/55/45/641815545.db2.gz SBTFKPLVXYDHDI-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)C[C@H](C)C1CC1)C1CCCCC1 ZINC000076502128 641815035 /nfs/dbraw/zinc/81/50/35/641815035.db2.gz SBTFKPLVXYDHDI-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@H](C)C1CCCCC1)C1CC1 ZINC000076502130 641815981 /nfs/dbraw/zinc/81/59/81/641815981.db2.gz SBTFKPLVXYDHDI-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCC(=O)N[C@@H](C)C1CCCCC1 ZINC000076502459 368236694 /nfs/dbraw/zinc/23/66/94/368236694.db2.gz QJPWQITULMMFIH-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCC(=O)N[C@H](C)C1CCCCC1 ZINC000076502462 368238615 /nfs/dbraw/zinc/23/86/15/368238615.db2.gz QJPWQITULMMFIH-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN Cc1ccccc1C(=O)N[C@@H](C)C1CCCCC1 ZINC000076503071 347035323 /nfs/dbraw/zinc/03/53/23/347035323.db2.gz PHUZPTRKUXQMOK-ZDUSSCGKSA-N 0 0 245.366 3.694 20 0 BHADRN Cc1ccccc1C(=O)N[C@H](C)C1CCCCC1 ZINC000076503073 347035118 /nfs/dbraw/zinc/03/51/18/347035118.db2.gz PHUZPTRKUXQMOK-CYBMUJFWSA-N 0 0 245.366 3.694 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000076503255 368238335 /nfs/dbraw/zinc/23/83/35/368238335.db2.gz JWASHXBORQKMCB-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)C(=O)N[C@H](C)C1CCCCC1 ZINC000076503256 368238294 /nfs/dbraw/zinc/23/82/94/368238294.db2.gz JWASHXBORQKMCB-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN Cc1cc(C(=O)N[C@@H](C)C2CCCCC2)c(C)o1 ZINC000076503810 135040878 /nfs/dbraw/zinc/04/08/78/135040878.db2.gz FULNHUQMQQYFNQ-NSHDSACASA-N 0 0 249.354 3.595 20 0 BHADRN Cc1cc(C(=O)N[C@H](C)C2CCCCC2)c(C)o1 ZINC000076503812 135040958 /nfs/dbraw/zinc/04/09/58/135040958.db2.gz FULNHUQMQQYFNQ-LLVKDONJSA-N 0 0 249.354 3.595 20 0 BHADRN CCCCCC(=O)N[C@@H](C)C1CCCCC1 ZINC000076504412 368238671 /nfs/dbraw/zinc/23/86/71/368238671.db2.gz BCBPEZFPRFYBDY-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC(=O)N[C@H](C)C1CCCCC1 ZINC000076504414 368237907 /nfs/dbraw/zinc/23/79/07/368237907.db2.gz 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CCC[C@H]1CCCC[C@H]1NC(=O)c1ccoc1C ZINC000077309039 344815965 /nfs/dbraw/zinc/81/59/65/344815965.db2.gz DIJZYCCVZFRTPY-GXTWGEPZSA-N 0 0 249.354 3.677 20 0 BHADRN CC(C)[C@@H](c1ccccc1)N(C)Cc1ccon1 ZINC000077312782 411217856 /nfs/dbraw/zinc/21/78/56/411217856.db2.gz XSDRTDITOZOGQE-HNNXBMFYSA-N 0 0 244.338 3.504 20 0 BHADRN CC(C)[C@H](c1ccccc1)N(C)Cc1ccon1 ZINC000077312785 411217575 /nfs/dbraw/zinc/21/75/75/411217575.db2.gz XSDRTDITOZOGQE-OAHLLOKOSA-N 0 0 244.338 3.504 20 0 BHADRN CC(C)(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000077316914 344816205 /nfs/dbraw/zinc/81/62/05/344816205.db2.gz TXLFMOREXUZWLJ-UHFFFAOYSA-N 0 0 237.309 3.697 20 0 BHADRN CC(C)c1ccc(C(=O)N2CCCC2(C)C)cc1 ZINC000077354360 325375981 /nfs/dbraw/zinc/37/59/81/325375981.db2.gz XEMTVPRKMHZSKG-UHFFFAOYSA-N 0 0 245.366 3.825 20 0 BHADRN CCCc1ccc(C(=O)N2CCCC2(C)C)cc1 ZINC000077355000 135062942 /nfs/dbraw/zinc/06/29/42/135062942.db2.gz ATWLKXMUSUUQKH-UHFFFAOYSA-N 0 0 245.366 3.654 20 0 BHADRN Fc1cccc(NC2CC(c3ccccc3)C2)n1 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3.766 20 0 BHADRN Cc1ccccc1OC(=O)[C@H](C)c1ccsc1 ZINC000078024463 641897047 /nfs/dbraw/zinc/89/70/47/641897047.db2.gz XHQQLFOEFGPGIF-LLVKDONJSA-N 0 0 246.331 3.766 20 0 BHADRN CCc1ccc([C@@H](C)CC(=O)NC(C)(C)C)cc1 ZINC000078024623 370516128 /nfs/dbraw/zinc/51/61/28/370516128.db2.gz NAYAVZURYCJLMM-LBPRGKRZSA-N 0 0 247.382 3.657 20 0 BHADRN CCc1ccc([C@H](C)CC(=O)NC(C)(C)C)cc1 ZINC000078024624 370516384 /nfs/dbraw/zinc/51/63/84/370516384.db2.gz NAYAVZURYCJLMM-GFCCVEGCSA-N 0 0 247.382 3.657 20 0 BHADRN C[C@H](C(=O)Nc1ccccc1F)c1ccsc1 ZINC000078024661 370516114 /nfs/dbraw/zinc/51/61/14/370516114.db2.gz BUBIYVJUZGMRDO-VIFPVBQESA-N 0 0 249.310 3.629 20 0 BHADRN C[C@@H](C(=O)Nc1ccccc1F)c1ccsc1 ZINC000078024662 370515855 /nfs/dbraw/zinc/51/58/55/370515855.db2.gz BUBIYVJUZGMRDO-SECBINFHSA-N 0 0 249.310 3.629 20 0 BHADRN CC(C)(C)CCC(=O)Nc1ccccc1F ZINC000078024670 325402153 /nfs/dbraw/zinc/40/21/53/325402153.db2.gz JRRWPSIWFLGPJZ-UHFFFAOYSA-N 0 0 223.291 3.591 20 0 BHADRN 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/nfs/dbraw/zinc/90/72/41/641907241.db2.gz JTXQCNLRLVLDJX-UHFFFAOYSA-N 0 0 224.735 3.506 20 0 BHADRN CC(C)=CC(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000078260704 636791225 /nfs/dbraw/zinc/79/12/25/636791225.db2.gz ZSQISVUHNHLOSL-UHFFFAOYSA-N 0 0 245.366 3.567 20 0 BHADRN Cc1ccc(NCc2coc3ccccc23)nc1 ZINC000078260823 636791568 /nfs/dbraw/zinc/79/15/68/636791568.db2.gz KIFYHMXUMIHRBE-UHFFFAOYSA-N 0 0 238.290 3.748 20 0 BHADRN Cc1nsc(N[C@H](C)c2cccc(C)c2C)n1 ZINC000078264600 344840532 /nfs/dbraw/zinc/84/05/32/344840532.db2.gz AXMAWGGMXRERHF-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1nsc(N[C@@H](C)c2cccc(C)c2C)n1 ZINC000078264601 344840652 /nfs/dbraw/zinc/84/06/52/344840652.db2.gz AXMAWGGMXRERHF-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1nccc(N[C@H](C)c2cccc(C)c2C)n1 ZINC000078264612 344840496 /nfs/dbraw/zinc/84/04/96/344840496.db2.gz WLAKEFBPJVZKPT-GFCCVEGCSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1nccc(N[C@@H](C)c2cccc(C)c2C)n1 ZINC000078264614 344840618 /nfs/dbraw/zinc/84/06/18/344840618.db2.gz 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CRSAITZOJOHVKK-LBPRGKRZSA-N 0 0 249.354 3.769 20 0 BHADRN C[C@H](c1ccco1)N(C)C(=O)CCC1CCCC1 ZINC000078271976 344840659 /nfs/dbraw/zinc/84/06/59/344840659.db2.gz CRSAITZOJOHVKK-GFCCVEGCSA-N 0 0 249.354 3.769 20 0 BHADRN CC(C)CN(C)C(=O)c1csc2ccccc12 ZINC000078278988 344842217 /nfs/dbraw/zinc/84/22/17/344842217.db2.gz LQXRZIWZTFVGSW-UHFFFAOYSA-N 0 0 247.363 3.629 20 0 BHADRN Cc1ccc(C(=O)N(C2CC2)C2CCCCC2)o1 ZINC000078281318 488203945 /nfs/dbraw/zinc/20/39/45/488203945.db2.gz HKGWCJKFTAQHFV-UHFFFAOYSA-N 0 0 247.338 3.525 20 0 BHADRN CN(C(=O)Nc1ccccc1)C1CCCCCC1 ZINC000078281570 388496025 /nfs/dbraw/zinc/49/60/25/388496025.db2.gz HCDNPFOQGPXQEJ-UHFFFAOYSA-N 0 0 246.354 3.873 20 0 BHADRN Cc1ccc(C)c(NC(=O)C2(C)CCCC2)c1 ZINC000078283561 344841167 /nfs/dbraw/zinc/84/11/67/344841167.db2.gz MUTFLXMLCQXPRH-UHFFFAOYSA-N 0 0 231.339 3.822 20 0 BHADRN Cc1cc(F)ccc1NC(=O)C1(C)CCCC1 ZINC000078283663 344841170 /nfs/dbraw/zinc/84/11/70/344841170.db2.gz ZIIVSJCQUYIULI-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 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388496379 /nfs/dbraw/zinc/49/63/79/388496379.db2.gz NLZGBSOMUXDJFZ-GFCCVEGCSA-N 0 0 247.382 3.855 20 0 BHADRN CC[C@H](C)N(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000078304807 325413291 /nfs/dbraw/zinc/41/32/91/325413291.db2.gz NLZGBSOMUXDJFZ-LBPRGKRZSA-N 0 0 247.382 3.855 20 0 BHADRN CC[C@@H](C)N(C)C(=O)c1oc2ccccc2c1C ZINC000078304986 487841626 /nfs/dbraw/zinc/84/16/26/487841626.db2.gz YNWPPULXZPBDSL-SNVBAGLBSA-N 0 0 245.322 3.612 20 0 BHADRN CC[C@H](C)N(C)C(=O)c1oc2ccccc2c1C ZINC000078304990 487841871 /nfs/dbraw/zinc/84/18/71/487841871.db2.gz YNWPPULXZPBDSL-JTQLQIEISA-N 0 0 245.322 3.612 20 0 BHADRN CCCCCNC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000078311244 487842411 /nfs/dbraw/zinc/84/24/11/487842411.db2.gz LMDGZKVTYNYCDE-ZDUSSCGKSA-N 0 0 248.370 3.579 20 0 BHADRN CCCCCNC(=O)N(C)[C@H](C)c1ccccc1 ZINC000078311248 487842377 /nfs/dbraw/zinc/84/23/77/487842377.db2.gz LMDGZKVTYNYCDE-CYBMUJFWSA-N 0 0 248.370 3.579 20 0 BHADRN CCCCCNC(=O)N(CC)C1CCCCC1 ZINC000078311343 487842456 /nfs/dbraw/zinc/84/24/56/487842456.db2.gz PQCHMPMISZVSGZ-UHFFFAOYSA-N 0 0 240.391 3.541 20 0 BHADRN CCCCCCNC(=O)N(C)C1CCCCC1 ZINC000078311722 637076824 /nfs/dbraw/zinc/07/68/24/637076824.db2.gz LDLJWGFPMUYYMG-UHFFFAOYSA-N 0 0 240.391 3.541 20 0 BHADRN CCCCN(C)C(=O)NC1CCCCCCC1 ZINC000078312252 641912409 /nfs/dbraw/zinc/91/24/09/641912409.db2.gz XVYKWQSCLLJFLD-UHFFFAOYSA-N 0 0 240.391 3.541 20 0 BHADRN CCCCN(CC)C(=O)NC1CCCCCC1 ZINC000078312720 388497832 /nfs/dbraw/zinc/49/78/32/388497832.db2.gz ZFVBDYHLNQVQTD-UHFFFAOYSA-N 0 0 240.391 3.541 20 0 BHADRN CCCN(CCC)C(=O)NC1CCCCCC1 ZINC000078312729 323067423 /nfs/dbraw/zinc/06/74/23/323067423.db2.gz AIUGRHURIDLYLT-UHFFFAOYSA-N 0 0 240.391 3.541 20 0 BHADRN CCC[C@@H](C)NC(=O)Nc1ccccc1CC ZINC000078313503 487842464 /nfs/dbraw/zinc/84/24/64/487842464.db2.gz PGWQCQCNVDOAFM-LLVKDONJSA-N 0 0 234.343 3.559 20 0 BHADRN CCC[C@H](C)NC(=O)Nc1ccccc1CC ZINC000078313507 487842442 /nfs/dbraw/zinc/84/24/42/487842442.db2.gz PGWQCQCNVDOAFM-NSHDSACASA-N 0 0 234.343 3.559 20 0 BHADRN CCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000078313555 487579650 /nfs/dbraw/zinc/57/96/50/487579650.db2.gz KSZIOVAFHIRKIP-OLZOCXBDSA-N 0 0 248.370 3.578 20 0 BHADRN CCC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000078313562 487842439 /nfs/dbraw/zinc/84/24/39/487842439.db2.gz KSZIOVAFHIRKIP-STQMWFEESA-N 0 0 248.370 3.578 20 0 BHADRN CCC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccccc1 ZINC000078313565 487842461 /nfs/dbraw/zinc/84/24/61/487842461.db2.gz KSZIOVAFHIRKIP-CHWSQXEVSA-N 0 0 248.370 3.578 20 0 BHADRN CCC[C@H](C)NC(=O)N(C)[C@H](C)c1ccccc1 ZINC000078313573 487842360 /nfs/dbraw/zinc/84/23/60/487842360.db2.gz KSZIOVAFHIRKIP-QWHCGFSZSA-N 0 0 248.370 3.578 20 0 BHADRN CCC[C@@H](C)NC(=O)N(CC)C1CCCCC1 ZINC000078314030 487842448 /nfs/dbraw/zinc/84/24/48/487842448.db2.gz DRUISNDQZXTTGG-GFCCVEGCSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@H](C)NC(=O)N(CC)C1CCCCC1 ZINC000078314036 487842398 /nfs/dbraw/zinc/84/23/98/487842398.db2.gz DRUISNDQZXTTGG-LBPRGKRZSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@H](NC(=O)N(CC)CC)c1ccccc1 ZINC000078318818 370550875 /nfs/dbraw/zinc/55/08/75/370550875.db2.gz DDDALEPXHIWBDG-AWEZNQCLSA-N 0 0 248.370 3.579 20 0 BHADRN CCC[C@@H](NC(=O)N(CC)CC)c1ccccc1 ZINC000078318820 370551518 /nfs/dbraw/zinc/55/15/18/370551518.db2.gz DDDALEPXHIWBDG-CQSZACIVSA-N 0 0 248.370 3.579 20 0 BHADRN CC[C@H](Nc1ccccn1)c1ccc(OC)cc1 ZINC000078329757 344845657 /nfs/dbraw/zinc/84/56/57/344845657.db2.gz RPEBRXCXHCTWRO-AWEZNQCLSA-N 0 0 242.322 3.653 20 0 BHADRN CC[C@@H](Nc1ccccn1)c1ccc(OC)cc1 ZINC000078329759 344845689 /nfs/dbraw/zinc/84/56/89/344845689.db2.gz RPEBRXCXHCTWRO-CQSZACIVSA-N 0 0 242.322 3.653 20 0 BHADRN c1cc(CSc2ccc3ccccc3n2)on1 ZINC000078356449 344851745 /nfs/dbraw/zinc/85/17/45/344851745.db2.gz CDRHTUAIXKIUPR-UHFFFAOYSA-N 0 0 242.303 3.515 20 0 BHADRN Cc1ccc(SCc2ccno2)c(C)c1 ZINC000078356521 344096243 /nfs/dbraw/zinc/09/62/43/344096243.db2.gz LYPIQTSVWJFJNZ-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN Cc1ccc(SCc2ccno2)cc1C ZINC000078356526 344851794 /nfs/dbraw/zinc/85/17/94/344851794.db2.gz ZZCMTIAJWQCINS-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN Clc1ccc(OCc2ccon2)cc1Cl ZINC000078378657 344854873 /nfs/dbraw/zinc/85/48/73/344854873.db2.gz FVLQUNPFIPRJQQ-UHFFFAOYSA-N 0 0 244.077 3.560 20 0 BHADRN Cc1ccc(NC(=O)N(C)C(C)C)cc1Cl ZINC000078385489 178730122 /nfs/dbraw/zinc/73/01/22/178730122.db2.gz QRIMDZOYNPLJLV-UHFFFAOYSA-N 0 0 240.734 3.521 20 0 BHADRN CC(C)CN(C(=O)/C=C/c1ccccc1)C(C)C ZINC000078389206 641917847 /nfs/dbraw/zinc/91/78/47/641917847.db2.gz HBDRFIFUWGEKTR-ZHACJKMWSA-N 0 0 245.366 3.593 20 0 BHADRN CC(C)CCN1c2cccc3cccc(c23)C1=O ZINC000078390008 398135452 /nfs/dbraw/zinc/13/54/52/398135452.db2.gz LPNHBMPSNMXESE-UHFFFAOYSA-N 0 0 239.318 3.846 20 0 BHADRN Cc1ccc(-c2nnc(SCC(C)C)o2)cc1 ZINC000078390658 178340434 /nfs/dbraw/zinc/34/04/34/178340434.db2.gz IJQLEXZGZNOCKE-UHFFFAOYSA-N 0 0 248.351 3.793 20 0 BHADRN COCSc1nc(-c2ccccc2)cs1 ZINC000078390825 643272669 /nfs/dbraw/zinc/27/26/69/643272669.db2.gz XFUCVDPKFJGVCQ-UHFFFAOYSA-N 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CC(C)Oc1ccc(-c2ccc(CO)cc2)cc1 ZINC000078409194 487846559 /nfs/dbraw/zinc/84/65/59/487846559.db2.gz SAECZJBIVOMTNV-UHFFFAOYSA-N 0 0 242.318 3.633 20 0 BHADRN CSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000078410150 344862585 /nfs/dbraw/zinc/86/25/85/344862585.db2.gz PZIBZXKZZSIBTB-UHFFFAOYSA-N 0 0 225.700 3.717 20 0 BHADRN CC(C)OCCC(=O)Nc1ccccc1C(C)C ZINC000078414805 167201603 /nfs/dbraw/zinc/20/16/03/167201603.db2.gz CGIIHOFDUKTKSC-UHFFFAOYSA-N 0 0 249.354 3.564 20 0 BHADRN CCCCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000078433066 388500714 /nfs/dbraw/zinc/50/07/14/388500714.db2.gz VLWRJOQULCUSRZ-JTQLQIEISA-N 0 0 239.746 3.707 20 0 BHADRN CCCCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000078433068 388500585 /nfs/dbraw/zinc/50/05/85/388500585.db2.gz VLWRJOQULCUSRZ-SNVBAGLBSA-N 0 0 239.746 3.707 20 0 BHADRN C[C@H](OC(=O)[C@@H](C)C1CCCC1)c1cccnc1 ZINC000078435014 641921369 /nfs/dbraw/zinc/92/13/69/641921369.db2.gz VKOGPTZTWMFJOD-RYUDHWBXSA-N 0 0 247.338 3.512 20 0 BHADRN C[C@@H](OC(=O)[C@@H](C)C1CCCC1)c1cccnc1 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641937029 /nfs/dbraw/zinc/93/70/29/641937029.db2.gz YFSRLLDCXSIMRM-UHFFFAOYSA-N 0 0 222.284 3.617 20 0 BHADRN Cc1cc(OC(=O)OC(C)(C)C)ccc1Cl ZINC000078573651 641937020 /nfs/dbraw/zinc/93/70/20/641937020.db2.gz SVBZARATVZQKDA-UHFFFAOYSA-N 0 0 242.702 3.962 20 0 BHADRN Cc1ccc(C)c(OC(=O)OC(C)(C)C)c1C ZINC000078573671 641937714 /nfs/dbraw/zinc/93/77/14/641937714.db2.gz WKAZDHNIGGLHKE-UHFFFAOYSA-N 0 0 236.311 3.926 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)OC(C)(C)C)c1 ZINC000078573785 641937335 /nfs/dbraw/zinc/93/73/35/641937335.db2.gz BXSUDVQUPJTGMV-UHFFFAOYSA-N 0 0 242.702 3.962 20 0 BHADRN Cc1cccc(OC(=O)OC(C)(C)C)c1C ZINC000078573809 179162249 /nfs/dbraw/zinc/16/22/49/179162249.db2.gz LTRHHYAMBVROFG-UHFFFAOYSA-N 0 0 222.284 3.617 20 0 BHADRN Cc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000078574314 384450566 /nfs/dbraw/zinc/45/05/66/384450566.db2.gz OOGMPUMNSHILPY-UHFFFAOYSA-N 0 0 247.338 3.683 20 0 BHADRN CC[C@H](Nc1ncccn1)c1cccc(Cl)c1 ZINC000078574522 344884195 /nfs/dbraw/zinc/88/41/95/344884195.db2.gz 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BHADRN CCCC[C@H](CC)CS[C@H](C)CC(=O)OC ZINC000078812813 325432532 /nfs/dbraw/zinc/43/25/32/325432532.db2.gz BDHUADBVZJBJHJ-NEPJUHHUSA-N 0 0 246.416 3.888 20 0 BHADRN CCCC[C@@H](CC)CSC[C@@H](C)C(=O)OC ZINC000078821884 387147590 /nfs/dbraw/zinc/14/75/90/387147590.db2.gz GTOMRRFXRHPHPV-VXGBXAGGSA-N 0 0 246.416 3.745 20 0 BHADRN CCCC[C@H](CC)CSC[C@@H](C)C(=O)OC ZINC000078821896 387149740 /nfs/dbraw/zinc/14/97/40/387149740.db2.gz GTOMRRFXRHPHPV-NEPJUHHUSA-N 0 0 246.416 3.745 20 0 BHADRN CCCC[C@@H](CC)CSC[C@H](C)C(=O)OC ZINC000078821909 384083177 /nfs/dbraw/zinc/08/31/77/384083177.db2.gz GTOMRRFXRHPHPV-NWDGAFQWSA-N 0 0 246.416 3.745 20 0 BHADRN CCCC[C@H](CC)CSC[C@H](C)C(=O)OC ZINC000078821919 325433001 /nfs/dbraw/zinc/43/30/01/325433001.db2.gz GTOMRRFXRHPHPV-RYUDHWBXSA-N 0 0 246.416 3.745 20 0 BHADRN CC(=O)Nc1c(C)ccc(NCCC(C)C)c1C ZINC000078824607 370604572 /nfs/dbraw/zinc/60/45/72/370604572.db2.gz HWOKDZJAOWDJPT-UHFFFAOYSA-N 0 0 248.370 3.720 20 0 BHADRN C[C@@H]1CCC[C@H](CCNC(=O)c2ccccc2)C1 ZINC000078830838 388514326 /nfs/dbraw/zinc/51/43/26/388514326.db2.gz GKQVWUAFGOXRND-ZIAGYGMSSA-N 0 0 245.366 3.633 20 0 BHADRN C[C@H]1CCC[C@H](CCNC(=O)c2ccccc2)C1 ZINC000078830842 388515012 /nfs/dbraw/zinc/51/50/12/388515012.db2.gz GKQVWUAFGOXRND-UONOGXRCSA-N 0 0 245.366 3.633 20 0 BHADRN C[C@@H]1CCC[C@@H](CCNC(=O)c2ccccc2)C1 ZINC000078830846 325433533 /nfs/dbraw/zinc/43/35/33/325433533.db2.gz GKQVWUAFGOXRND-KGLIPLIRSA-N 0 0 245.366 3.633 20 0 BHADRN C[C@H]1CCC[C@@H](CCNC(=O)c2ccccc2)C1 ZINC000078830853 325433434 /nfs/dbraw/zinc/43/34/34/325433434.db2.gz GKQVWUAFGOXRND-KBPBESRZSA-N 0 0 245.366 3.633 20 0 BHADRN CC[C@@H](C)Sc1nnc(-c2ccc(C)cc2)o1 ZINC000078835934 388685534 /nfs/dbraw/zinc/68/55/34/388685534.db2.gz AWEPOGNVWIUUQI-SNVBAGLBSA-N 0 0 248.351 3.936 20 0 BHADRN CC[C@H](C)Sc1nnc(-c2ccc(C)cc2)o1 ZINC000078835940 171358227 /nfs/dbraw/zinc/35/82/27/171358227.db2.gz AWEPOGNVWIUUQI-JTQLQIEISA-N 0 0 248.351 3.936 20 0 BHADRN CC[C@@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000078835946 388685152 /nfs/dbraw/zinc/68/51/52/388685152.db2.gz SXNKHPCGYWSDIN-SNVBAGLBSA-N 0 0 247.367 3.671 20 0 BHADRN CC[C@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000078835953 171356931 /nfs/dbraw/zinc/35/69/31/171356931.db2.gz SXNKHPCGYWSDIN-JTQLQIEISA-N 0 0 247.367 3.671 20 0 BHADRN CC[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000078837019 384467604 /nfs/dbraw/zinc/46/76/04/384467604.db2.gz WERQDHKFVBXUHU-SECBINFHSA-N 0 0 223.341 3.536 20 0 BHADRN CC[C@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000078837026 171357398 /nfs/dbraw/zinc/35/73/98/171357398.db2.gz WERQDHKFVBXUHU-VIFPVBQESA-N 0 0 223.341 3.536 20 0 BHADRN c1ccc(OCc2ccc3c(c2)CCC3)cc1 ZINC000078837849 388516051 /nfs/dbraw/zinc/51/60/51/388516051.db2.gz RKRJVYUWIUAKKE-UHFFFAOYSA-N 0 0 224.303 3.754 20 0 BHADRN C[C@H]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000078838623 641960674 /nfs/dbraw/zinc/96/06/74/641960674.db2.gz BSGQSTCXFNMUPL-NWDGAFQWSA-N 0 0 241.375 3.728 20 0 BHADRN C[C@@H]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000078838629 641960645 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BHADRN CC[C@@H](CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000078926746 388517958 /nfs/dbraw/zinc/51/79/58/388517958.db2.gz HKJNFOVAMGLFFE-ZDUSSCGKSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@H](CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000078926753 325435998 /nfs/dbraw/zinc/43/59/98/325435998.db2.gz HKJNFOVAMGLFFE-CYBMUJFWSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@H](CNC(=O)CCC(C)C)c1ccccc1 ZINC000078926880 325436495 /nfs/dbraw/zinc/43/64/95/325436495.db2.gz JFWUJVHAIVPOGG-CQSZACIVSA-N 0 0 247.382 3.733 20 0 BHADRN CCCCN(CCCC)C(=O)NC1CCCC1 ZINC000078928523 388463283 /nfs/dbraw/zinc/46/32/83/388463283.db2.gz HUGNVCSQTBRISW-UHFFFAOYSA-N 0 0 240.391 3.541 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)Nc1cccc(C)c1 ZINC000078930328 344921225 /nfs/dbraw/zinc/92/12/25/344921225.db2.gz RKSUWHUUJRDVHQ-GFCCVEGCSA-N 0 0 234.343 3.647 20 0 BHADRN CCC[C@H](C)N(C)C(=O)Nc1cccc(C)c1 ZINC000078930337 344921345 /nfs/dbraw/zinc/92/13/45/344921345.db2.gz RKSUWHUUJRDVHQ-LBPRGKRZSA-N 0 0 234.343 3.647 20 0 BHADRN COC[C@H](C)Sc1cc(C)c2ccccc2n1 ZINC000078931711 323504714 /nfs/dbraw/zinc/50/47/14/323504714.db2.gz TYBPSKKTZBHYQH-NSHDSACASA-N 0 0 247.363 3.670 20 0 BHADRN COC[C@@H](C)Sc1cc(C)c2ccccc2n1 ZINC000078931717 387199999 /nfs/dbraw/zinc/19/99/99/387199999.db2.gz TYBPSKKTZBHYQH-LLVKDONJSA-N 0 0 247.363 3.670 20 0 BHADRN c1cc2c(ncnc2SCC2CCC2)s1 ZINC000078931738 344921570 /nfs/dbraw/zinc/92/15/70/344921570.db2.gz NUSVTGMQPWIYMJ-UHFFFAOYSA-N 0 0 236.365 3.584 20 0 BHADRN CCc1cnc(CSc2ccc(OC)cc2)o1 ZINC000078941429 370613103 /nfs/dbraw/zinc/61/31/03/370613103.db2.gz UFLNZLGZRFLBGF-UHFFFAOYSA-N 0 0 249.335 3.538 20 0 BHADRN Cc1ccc(C)c(NC(=O)C[C@H]2C=CCC2)c1 ZINC000078955871 384474143 /nfs/dbraw/zinc/47/41/43/384474143.db2.gz LTUOCEOTEYQRTQ-ZDUSSCGKSA-N 0 0 229.323 3.598 20 0 BHADRN Cc1ccc(C)c(NC(=O)C[C@@H]2C=CCC2)c1 ZINC000078955885 384473694 /nfs/dbraw/zinc/47/36/94/384473694.db2.gz LTUOCEOTEYQRTQ-CYBMUJFWSA-N 0 0 229.323 3.598 20 0 BHADRN Cc1cc(C(=O)N(C)c2ccccc2)c(C)s1 ZINC000078955932 388687288 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C[C@@H](Sc1ncc[nH]1)c1ccc(F)c(F)c1 ZINC000078990840 135265606 /nfs/dbraw/zinc/26/56/06/135265606.db2.gz APVGZLILXCLBNV-SSDOTTSWSA-N 0 0 240.278 3.541 20 0 BHADRN C[C@H](Sc1ncc[nH]1)c1cc(F)ccc1F ZINC000078992899 135264793 /nfs/dbraw/zinc/26/47/93/135264793.db2.gz DBGGOHDXHZUVFI-ZETCQYMHSA-N 0 0 240.278 3.541 20 0 BHADRN C[C@@H](Sc1ncc[nH]1)c1cc(F)ccc1F ZINC000078992905 135265628 /nfs/dbraw/zinc/26/56/28/135265628.db2.gz DBGGOHDXHZUVFI-SSDOTTSWSA-N 0 0 240.278 3.541 20 0 BHADRN C[C@H](Sc1ncc[nH]1)c1ccccc1Cl ZINC000078992914 135265333 /nfs/dbraw/zinc/26/53/33/135265333.db2.gz RCVOILFMRRNRGG-QMMMGPOBSA-N 0 0 238.743 3.916 20 0 BHADRN C[C@@H](Sc1ncc[nH]1)c1ccccc1Cl ZINC000078992921 135265624 /nfs/dbraw/zinc/26/56/24/135265624.db2.gz RCVOILFMRRNRGG-MRVPVSSYSA-N 0 0 238.743 3.916 20 0 BHADRN c1c[nH]c(SCc2cccc3ccccc32)n1 ZINC000078995251 388463126 /nfs/dbraw/zinc/46/31/26/388463126.db2.gz HVCWASSTWWGMSO-UHFFFAOYSA-N 0 0 240.331 3.855 20 0 BHADRN CC[C@H](Sc1ncc[nH]1)c1ccc(F)cc1 ZINC000078995292 135265164 /nfs/dbraw/zinc/26/51/64/135265164.db2.gz UGYWSIBHHLZCCO-NSHDSACASA-N 0 0 236.315 3.792 20 0 BHADRN CC[C@@H](Sc1ncc[nH]1)c1ccc(F)cc1 ZINC000078995298 135265536 /nfs/dbraw/zinc/26/55/36/135265536.db2.gz UGYWSIBHHLZCCO-LLVKDONJSA-N 0 0 236.315 3.792 20 0 BHADRN C[C@H](Sc1ncc[nH]1)c1ccc(F)cc1F ZINC000078999675 135265574 /nfs/dbraw/zinc/26/55/74/135265574.db2.gz PWCIGOLBGKJLJI-ZETCQYMHSA-N 0 0 240.278 3.541 20 0 BHADRN C[C@@H](Sc1ncc[nH]1)c1ccc(F)cc1F ZINC000078999680 135265263 /nfs/dbraw/zinc/26/52/63/135265263.db2.gz PWCIGOLBGKJLJI-SSDOTTSWSA-N 0 0 240.278 3.541 20 0 BHADRN CC(C)[C@H](NC(=O)C1CCCC1)c1ccccc1 ZINC000079004171 325439572 /nfs/dbraw/zinc/43/95/72/325439572.db2.gz IYRZASDVXWFSIY-HNNXBMFYSA-N 0 0 245.366 3.690 20 0 BHADRN CC(C)[C@@H](NC(=O)C1CCCC1)c1ccccc1 ZINC000079004176 167425050 /nfs/dbraw/zinc/42/50/50/167425050.db2.gz IYRZASDVXWFSIY-OAHLLOKOSA-N 0 0 245.366 3.690 20 0 BHADRN COc1ccccc1[C@H](C)SCc1ccon1 ZINC000079009509 344932791 /nfs/dbraw/zinc/93/27/91/344932791.db2.gz QFSRGODBBFNNLG-JTQLQIEISA-N 0 0 249.335 3.678 20 0 BHADRN COc1ccccc1[C@@H](C)SCc1ccon1 ZINC000079009512 344932408 /nfs/dbraw/zinc/93/24/08/344932408.db2.gz QFSRGODBBFNNLG-SNVBAGLBSA-N 0 0 249.335 3.678 20 0 BHADRN CC(C)Oc1ccccc1NC(=O)CC(C)(C)C ZINC000079019844 344931262 /nfs/dbraw/zinc/93/12/62/344931262.db2.gz XCNGGOLHHWNALB-UHFFFAOYSA-N 0 0 249.354 3.849 20 0 BHADRN CCCC[C@@H](CC)C(=O)NCc1ccsc1 ZINC000079022205 490051413 /nfs/dbraw/zinc/05/14/13/490051413.db2.gz MRAXSEKTAAFONX-GFCCVEGCSA-N 0 0 239.384 3.581 20 0 BHADRN CCCC[C@H](CC)C(=O)NCc1ccsc1 ZINC000079022211 490051551 /nfs/dbraw/zinc/05/15/51/490051551.db2.gz MRAXSEKTAAFONX-LBPRGKRZSA-N 0 0 239.384 3.581 20 0 BHADRN CCCCCNC(=O)N(C)C1CCCCCC1 ZINC000079026891 487562346 /nfs/dbraw/zinc/56/23/46/487562346.db2.gz RVBVPWDRPFSSKX-UHFFFAOYSA-N 0 0 240.391 3.541 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000079029541 344934005 /nfs/dbraw/zinc/93/40/05/344934005.db2.gz SINLCTPEOBHJDA-OLZOCXBDSA-N 0 0 248.370 3.578 20 0 BHADRN CCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000079029545 344933636 /nfs/dbraw/zinc/93/36/36/344933636.db2.gz SINLCTPEOBHJDA-STQMWFEESA-N 0 0 248.370 3.578 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccccc1 ZINC000079029551 344933723 /nfs/dbraw/zinc/93/37/23/344933723.db2.gz SINLCTPEOBHJDA-CHWSQXEVSA-N 0 0 248.370 3.578 20 0 BHADRN CCC[C@H](C)N(C)C(=O)N[C@H](C)c1ccccc1 ZINC000079029553 344934066 /nfs/dbraw/zinc/93/40/66/344934066.db2.gz SINLCTPEOBHJDA-QWHCGFSZSA-N 0 0 248.370 3.578 20 0 BHADRN CCCN(CCC)C(=O)N[C@@H](C)c1ccccc1 ZINC000079029704 169142479 /nfs/dbraw/zinc/14/24/79/169142479.db2.gz GDLIGWFDKRQTOZ-ZDUSSCGKSA-N 0 0 248.370 3.579 20 0 BHADRN CCCN(CCC)C(=O)N[C@H](C)c1ccccc1 ZINC000079029708 169143346 /nfs/dbraw/zinc/14/33/46/169143346.db2.gz GDLIGWFDKRQTOZ-CYBMUJFWSA-N 0 0 248.370 3.579 20 0 BHADRN CCCCN(CC)C(=O)N[C@@H](C)c1ccccc1 ZINC000079029791 325440273 /nfs/dbraw/zinc/44/02/73/325440273.db2.gz 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BHADRN CC[C@H](COC)Nc1ccc(C(C)(C)C)cc1 ZINC000079706231 325463884 /nfs/dbraw/zinc/46/38/84/325463884.db2.gz KDULDRQQQUCKOE-CYBMUJFWSA-N 0 0 235.371 3.821 20 0 BHADRN CC[C@@H](COC)Nc1ccc(C(F)(F)F)cc1 ZINC000079706392 388544762 /nfs/dbraw/zinc/54/47/62/388544762.db2.gz MDAPPOKUTDWXNW-JTQLQIEISA-N 0 0 247.260 3.542 20 0 BHADRN CC[C@H](COC)Nc1ccc(C(F)(F)F)cc1 ZINC000079706395 325464017 /nfs/dbraw/zinc/46/40/17/325464017.db2.gz MDAPPOKUTDWXNW-SNVBAGLBSA-N 0 0 247.260 3.542 20 0 BHADRN Cc1occc1CNC(=O)CCCC1CCCC1 ZINC000079706588 370687965 /nfs/dbraw/zinc/68/79/65/370687965.db2.gz KOFYNYKLEXWWAZ-UHFFFAOYSA-N 0 0 249.354 3.565 20 0 BHADRN CC[C@@H](COC)Nc1ccc2ccccc2c1 ZINC000079708416 636573984 /nfs/dbraw/zinc/57/39/84/636573984.db2.gz SBCOUHHIDNTABB-AWEZNQCLSA-N 0 0 229.323 3.677 20 0 BHADRN CC[C@H](COC)Nc1ccc2ccccc2c1 ZINC000079708421 636573215 /nfs/dbraw/zinc/57/32/15/636573215.db2.gz SBCOUHHIDNTABB-CQSZACIVSA-N 0 0 229.323 3.677 20 0 BHADRN CCCCN(CCCC)C(=O)Nc1ccccn1 ZINC000079719077 388462736 /nfs/dbraw/zinc/46/27/36/388462736.db2.gz ASJZEWYGTNVQIY-UHFFFAOYSA-N 0 0 249.358 3.516 20 0 BHADRN O=C(CSc1ccccc1)C1CCCCC1 ZINC000079722874 325464910 /nfs/dbraw/zinc/46/49/10/325464910.db2.gz CGWUPPHTHHBPQV-UHFFFAOYSA-N 0 0 234.364 3.928 20 0 BHADRN CCCCNc1cc(NC(=O)C(C)C)ccc1C ZINC000079752090 325465579 /nfs/dbraw/zinc/46/55/79/325465579.db2.gz OPRPCQNTZBKPNR-UHFFFAOYSA-N 0 0 248.370 3.802 20 0 BHADRN CCCCNc1cc(NC(=O)C2CC2)ccc1C ZINC000079752129 388545574 /nfs/dbraw/zinc/54/55/74/388545574.db2.gz AYJBKXOAWTXQLK-UHFFFAOYSA-N 0 0 246.354 3.556 20 0 BHADRN CSc1ccc(CNc2ccc(C)cn2)cc1 ZINC000079753001 636648619 /nfs/dbraw/zinc/64/86/19/636648619.db2.gz SQIYTVQRJGBCBJ-UHFFFAOYSA-N 0 0 244.363 3.724 20 0 BHADRN Cc1nccc(-c2cccc(NCC(C)C)c2)n1 ZINC000079757426 388545647 /nfs/dbraw/zinc/54/56/47/388545647.db2.gz WDDNXCLPPAOWOT-UHFFFAOYSA-N 0 0 241.338 3.520 20 0 BHADRN CCCCNc1cccc(-c2ccnc(C)n2)c1 ZINC000079757437 325465770 /nfs/dbraw/zinc/46/57/70/325465770.db2.gz XVATZRRKOSZDFV-UHFFFAOYSA-N 0 0 241.338 3.664 20 0 BHADRN CCC[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000079778112 345035164 /nfs/dbraw/zinc/03/51/64/345035164.db2.gz NBYSZQXGSXYARC-SUHUHFCYSA-N 0 0 249.354 3.510 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000079778121 345035055 /nfs/dbraw/zinc/03/50/55/345035055.db2.gz NBYSZQXGSXYARC-ZKYQVNSYSA-N 0 0 249.354 3.510 20 0 BHADRN Cc1cc(C)c(NC(=O)NCC(C)(C)C)c(C)c1 ZINC000079796244 325466678 /nfs/dbraw/zinc/46/66/78/325466678.db2.gz PWHAHJDWFMMGCN-UHFFFAOYSA-N 0 0 248.370 3.779 20 0 BHADRN CCCN(C)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC000079805159 169061117 /nfs/dbraw/zinc/06/11/17/169061117.db2.gz PQOUNRYWQAZVAT-UHFFFAOYSA-N 0 0 245.322 3.532 20 0 BHADRN CC[C@@H](C)N(C)C(=O)NC1CCCCCCC1 ZINC000079810248 636712171 /nfs/dbraw/zinc/71/21/71/636712171.db2.gz YLDLQXCLXPNCTQ-GFCCVEGCSA-N 0 0 240.391 3.539 20 0 BHADRN CC[C@H](C)N(C)C(=O)NC1CCCCCCC1 ZINC000079810251 636712038 /nfs/dbraw/zinc/71/20/38/636712038.db2.gz YLDLQXCLXPNCTQ-LBPRGKRZSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000079813508 342921055 /nfs/dbraw/zinc/92/10/55/342921055.db2.gz OCDQSRKCHPVGQC-OLZOCXBDSA-N 0 0 248.370 3.544 20 0 BHADRN CCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000079813511 370694467 /nfs/dbraw/zinc/69/44/67/370694467.db2.gz OCDQSRKCHPVGQC-STQMWFEESA-N 0 0 248.370 3.544 20 0 BHADRN CCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000079813514 370694788 /nfs/dbraw/zinc/69/47/88/370694788.db2.gz OCDQSRKCHPVGQC-CHWSQXEVSA-N 0 0 248.370 3.544 20 0 BHADRN CCC[C@H](C)NC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000079813518 370694128 /nfs/dbraw/zinc/69/41/28/370694128.db2.gz OCDQSRKCHPVGQC-QWHCGFSZSA-N 0 0 248.370 3.544 20 0 BHADRN CC(C)N(C)C(=O)Nc1cccc2ccccc21 ZINC000079813817 388547528 /nfs/dbraw/zinc/54/75/28/388547528.db2.gz LKUJGJCFASMJBW-UHFFFAOYSA-N 0 0 242.322 3.712 20 0 BHADRN Fc1ccc(Oc2nc3ccccc3o2)c(F)c1 ZINC000079815235 345040706 /nfs/dbraw/zinc/04/07/06/345040706.db2.gz CONNEADCYGCELS-UHFFFAOYSA-N 0 0 247.200 3.898 20 0 BHADRN C[C@H](SC1=NCCS1)c1cccc(F)c1 ZINC000079815620 636712140 /nfs/dbraw/zinc/71/21/40/636712140.db2.gz OEVVJQYUHULQKI-QMMMGPOBSA-N 0 0 241.356 3.723 20 0 BHADRN C[C@@H](SC1=NCCS1)c1cccc(F)c1 ZINC000079815624 636711741 /nfs/dbraw/zinc/71/17/41/636711741.db2.gz OEVVJQYUHULQKI-MRVPVSSYSA-N 0 0 241.356 3.723 20 0 BHADRN CCc1noc([C@@H](C)SCc2ccccc2)n1 ZINC000079815852 172089773 /nfs/dbraw/zinc/08/97/73/172089773.db2.gz XZFOBOHYZZTXNX-SNVBAGLBSA-N 0 0 248.351 3.626 20 0 BHADRN CCc1noc([C@H](C)SCc2ccccc2)n1 ZINC000079815854 172091992 /nfs/dbraw/zinc/09/19/92/172091992.db2.gz XZFOBOHYZZTXNX-JTQLQIEISA-N 0 0 248.351 3.626 20 0 BHADRN C[C@@H](c1ccco1)N(C)C(=O)Nc1ccccc1 ZINC000079820628 398137646 /nfs/dbraw/zinc/13/76/46/398137646.db2.gz RSJDZAOEBJKMBR-NSHDSACASA-N 0 0 244.294 3.505 20 0 BHADRN C[C@H](c1ccco1)N(C)C(=O)Nc1ccccc1 ZINC000079820630 398137635 /nfs/dbraw/zinc/13/76/35/398137635.db2.gz RSJDZAOEBJKMBR-LLVKDONJSA-N 0 0 244.294 3.505 20 0 BHADRN CCN(C(=O)Nc1ccc(C)cc1)C1CCCC1 ZINC000079828822 325467787 /nfs/dbraw/zinc/46/77/87/325467787.db2.gz FGRVSQFITKJWHT-UHFFFAOYSA-N 0 0 246.354 3.791 20 0 BHADRN CCN(C(=O)Nc1cccc(C)c1)C1CCCC1 ZINC000079828827 325468119 /nfs/dbraw/zinc/46/81/19/325468119.db2.gz JXOWNVLAYYZWOK-UHFFFAOYSA-N 0 0 246.354 3.791 20 0 BHADRN CCCCN(C(=O)NCC)[C@@H](C)c1ccccc1 ZINC000079842863 388548547 /nfs/dbraw/zinc/54/85/47/388548547.db2.gz FMUDPAWDUVRRMY-ZDUSSCGKSA-N 0 0 248.370 3.579 20 0 BHADRN CCCCN(C(=O)NCC)[C@H](C)c1ccccc1 ZINC000079842865 388548433 /nfs/dbraw/zinc/54/84/33/388548433.db2.gz FMUDPAWDUVRRMY-CYBMUJFWSA-N 0 0 248.370 3.579 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)Nc1cccc(C)c1 ZINC000079843568 370698427 /nfs/dbraw/zinc/69/84/27/370698427.db2.gz JZLKCGHAEXCQMF-LLVKDONJSA-N 0 0 234.343 3.505 20 0 BHADRN CC[C@H](C)CN(C)C(=O)Nc1cccc(C)c1 ZINC000079843572 370698271 /nfs/dbraw/zinc/69/82/71/370698271.db2.gz JZLKCGHAEXCQMF-NSHDSACASA-N 0 0 234.343 3.505 20 0 BHADRN Cc1ccc(NC(=O)N(CC(C)C)C(C)C)cc1 ZINC000079843816 388548323 /nfs/dbraw/zinc/54/83/23/388548323.db2.gz VYZVFPBOHNPSQK-UHFFFAOYSA-N 0 0 248.370 3.893 20 0 BHADRN Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(F)c2)o1 ZINC000079876323 388548447 /nfs/dbraw/zinc/54/84/47/388548447.db2.gz FDLSXEOEGAFOSS-LBPRGKRZSA-N 0 0 247.313 3.920 20 0 BHADRN Cc1ccc(C[N@@H+](C)[C@H](C)c2cccc(F)c2)o1 ZINC000079876326 388548599 /nfs/dbraw/zinc/54/85/99/388548599.db2.gz FDLSXEOEGAFOSS-GFCCVEGCSA-N 0 0 247.313 3.920 20 0 BHADRN O=C(/C=C/C1CC1)Nc1cccc(C(F)F)c1 ZINC000079901372 344120770 /nfs/dbraw/zinc/12/07/70/344120770.db2.gz GJBBWRQTDXKKGQ-VOTSOKGWSA-N 0 0 237.249 3.529 20 0 BHADRN CC(=O)c1c(F)cccc1NCc1ccsc1 ZINC000079905283 345053890 /nfs/dbraw/zinc/05/38/90/345053890.db2.gz CZBHZAXCHCVRKW-UHFFFAOYSA-N 0 0 249.310 3.702 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000079906416 384677149 /nfs/dbraw/zinc/67/71/49/384677149.db2.gz XFLOTSVCPPXLEZ-ZYHUDNBSSA-N 0 0 242.322 3.543 20 0 BHADRN CCc1ccc(COc2cccnc2Cl)cc1 ZINC000079909250 636738759 /nfs/dbraw/zinc/73/87/59/636738759.db2.gz CMFAHLGNAWNHBD-UHFFFAOYSA-N 0 0 247.725 3.876 20 0 BHADRN Cc1ccccc1COc1cccnc1Cl ZINC000079909338 644218138 /nfs/dbraw/zinc/21/81/38/644218138.db2.gz LEAIKGZVBRSXCT-UHFFFAOYSA-N 0 0 233.698 3.622 20 0 BHADRN Clc1ncccc1OC/C=C/c1ccccc1 ZINC000079909462 636738350 /nfs/dbraw/zinc/73/83/50/636738350.db2.gz YXQFFTWMPNLIGP-VMPITWQZSA-N 0 0 245.709 3.827 20 0 BHADRN CCN(Cc1ccoc1)C(=O)/C=C(/C)C(C)(C)C ZINC000079915758 643281663 /nfs/dbraw/zinc/28/16/63/643281663.db2.gz LLTFEIFRFYEGRC-XFXZXTDPSA-N 0 0 249.354 3.621 20 0 BHADRN O=C(CC1CCC1)N1CCC2(CCCCC2)CC1 ZINC000079919249 134393809 /nfs/dbraw/zinc/39/38/09/134393809.db2.gz OILRRKMWYDMDRF-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN CO[C@@H](C)c1cccc(NC(=O)CC2CCC2)c1 ZINC000079938591 135364791 /nfs/dbraw/zinc/36/47/91/135364791.db2.gz LICYTBONEVTQOE-NSHDSACASA-N 0 0 247.338 3.523 20 0 BHADRN CO[C@H](C)c1cccc(NC(=O)CC2CCC2)c1 ZINC000079938594 135365144 /nfs/dbraw/zinc/36/51/44/135365144.db2.gz LICYTBONEVTQOE-LLVKDONJSA-N 0 0 247.338 3.523 20 0 BHADRN CC1(C)CCC[C@H](Nc2cccc(CO)c2)C1 ZINC000079975180 388550907 /nfs/dbraw/zinc/55/09/07/388550907.db2.gz JIMFCROZQCJVKU-AWEZNQCLSA-N 0 0 233.355 3.560 20 0 BHADRN CC1(C)CCC[C@@H](Nc2cccc(CO)c2)C1 ZINC000079975184 388550523 /nfs/dbraw/zinc/55/05/23/388550523.db2.gz JIMFCROZQCJVKU-CQSZACIVSA-N 0 0 233.355 3.560 20 0 BHADRN CC1(C)CCC[C@H](Nc2ccc(CCO)cc2)C1 ZINC000079978505 325471126 /nfs/dbraw/zinc/47/11/26/325471126.db2.gz VTMRNNMRJRFHLW-HNNXBMFYSA-N 0 0 247.382 3.602 20 0 BHADRN CC1(C)CCC[C@@H](Nc2ccc(CCO)cc2)C1 ZINC000079978509 388550354 /nfs/dbraw/zinc/55/03/54/388550354.db2.gz VTMRNNMRJRFHLW-OAHLLOKOSA-N 0 0 247.382 3.602 20 0 BHADRN O=C(CC1CCC1)Nc1cc(F)ccc1Cl ZINC000079990449 384523849 /nfs/dbraw/zinc/52/38/49/384523849.db2.gz DJIRNCCRKHIEHD-UHFFFAOYSA-N 0 0 241.693 3.608 20 0 BHADRN O=C(CC1CCC1)N1CCCCc2ccccc21 ZINC000080023788 136375025 /nfs/dbraw/zinc/37/50/25/136375025.db2.gz CTFOGTFFPREATR-UHFFFAOYSA-N 0 0 243.350 3.546 20 0 BHADRN CC(C)[C@@H]1CCC[C@H](NC(=O)CC2CCC2)C1 ZINC000080033193 325471818 /nfs/dbraw/zinc/47/18/18/325471818.db2.gz VPKKOEJRXPBGOR-KGLIPLIRSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H]1CCC[C@H](NC(=O)CC2CCC2)C1 ZINC000080033196 388551741 /nfs/dbraw/zinc/55/17/41/388551741.db2.gz VPKKOEJRXPBGOR-KBPBESRZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@@H]1CCC[C@@H](NC(=O)CC2CCC2)C1 ZINC000080033198 388552163 /nfs/dbraw/zinc/55/21/63/388552163.db2.gz VPKKOEJRXPBGOR-ZIAGYGMSSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H]1CCC[C@@H](NC(=O)CC2CCC2)C1 ZINC000080033199 325471977 /nfs/dbraw/zinc/47/19/77/325471977.db2.gz VPKKOEJRXPBGOR-UONOGXRCSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1cnccc1C ZINC000080039323 644227058 /nfs/dbraw/zinc/22/70/58/644227058.db2.gz MUUBZBHLTKLYRN-GFCCVEGCSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1cnccc1C ZINC000080039328 644227699 /nfs/dbraw/zinc/22/76/99/644227699.db2.gz MUUBZBHLTKLYRN-LBPRGKRZSA-N 0 0 248.370 3.935 20 0 BHADRN C[C@H](CC(=O)NC1CC(C)C1)C1CCCCC1 ZINC000080040863 345083097 /nfs/dbraw/zinc/08/30/97/345083097.db2.gz IJFLRLCTXNYGSQ-MBHSVXNSSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC(=O)NC1CC(C)C1)C1CCCCC1 ZINC000080040868 345083327 /nfs/dbraw/zinc/08/33/27/345083327.db2.gz IJFLRLCTXNYGSQ-LXVYMNJGSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC1CCCCC1)C(=O)NC1CC(C)C1 ZINC000080041304 345083088 /nfs/dbraw/zinc/08/30/88/345083088.db2.gz ZCBWYNIHLLDMLQ-LXVYMNJGSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC1CCCCC1)C(=O)NC1CC(C)C1 ZINC000080041309 345082970 /nfs/dbraw/zinc/08/29/70/345082970.db2.gz ZCBWYNIHLLDMLQ-MBHSVXNSSA-N 0 0 237.387 3.508 20 0 BHADRN COCc1ccc(NCc2ccc(F)cc2)cc1 ZINC000080053503 644229256 /nfs/dbraw/zinc/22/92/56/644229256.db2.gz JQOADBXUMULVSD-UHFFFAOYSA-N 0 0 245.297 3.584 20 0 BHADRN COCc1ccc(NCc2ccccc2F)cc1 ZINC000080053647 644229725 /nfs/dbraw/zinc/22/97/25/644229725.db2.gz JKHMSGURZFTJAM-UHFFFAOYSA-N 0 0 245.297 3.584 20 0 BHADRN C[C@H](Sc1ccccc1)c1nc(C2CC2)no1 ZINC000080060329 370723747 /nfs/dbraw/zinc/72/37/47/370723747.db2.gz MTFKQBLKKUFLFV-VIFPVBQESA-N 0 0 246.335 3.800 20 0 BHADRN C[C@@H](Sc1ccccc1)c1nc(C2CC2)no1 ZINC000080060336 370723993 /nfs/dbraw/zinc/72/39/93/370723993.db2.gz MTFKQBLKKUFLFV-SECBINFHSA-N 0 0 246.335 3.800 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)CC2CCC2)c1 ZINC000080107887 325472725 /nfs/dbraw/zinc/47/27/25/325472725.db2.gz HZFWQQCAWWAABJ-CYBMUJFWSA-N 0 0 245.366 3.671 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)CC2CCC2)c1 ZINC000080107891 325472692 /nfs/dbraw/zinc/47/26/92/325472692.db2.gz HZFWQQCAWWAABJ-ZDUSSCGKSA-N 0 0 245.366 3.671 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1ccncc1C ZINC000080111377 644234098 /nfs/dbraw/zinc/23/40/98/644234098.db2.gz QUENGUDNXQLBIR-GFCCVEGCSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1ccncc1C ZINC000080111381 644234666 /nfs/dbraw/zinc/23/46/66/644234666.db2.gz QUENGUDNXQLBIR-LBPRGKRZSA-N 0 0 248.370 3.935 20 0 BHADRN Cc1cnccc1NC(=O)CCCC1CCCC1 ZINC000080111660 384529295 /nfs/dbraw/zinc/52/92/95/384529295.db2.gz BVWBKNCXLFYOOG-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN CCN(C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000080111751 388552901 /nfs/dbraw/zinc/55/29/01/388552901.db2.gz BXWDYAQRIGJILF-UHFFFAOYSA-N 0 0 246.379 3.570 20 0 BHADRN FC(F)(F)c1cccnc1N[C@H]1CC=CCC1 ZINC000080119816 180896902 /nfs/dbraw/zinc/89/69/02/180896902.db2.gz MOGMFHCHPDGVIV-VIFPVBQESA-N 0 0 242.244 3.621 20 0 BHADRN FC(F)(F)c1cccnc1N[C@@H]1CC=CCC1 ZINC000080119822 387978573 /nfs/dbraw/zinc/97/85/73/387978573.db2.gz MOGMFHCHPDGVIV-SECBINFHSA-N 0 0 242.244 3.621 20 0 BHADRN c1ccc2nc(N[C@H]3CC=CCC3)ccc2c1 ZINC000080119960 386236329 /nfs/dbraw/zinc/23/63/29/386236329.db2.gz DJNUPUVKVOUAEE-ZDUSSCGKSA-N 0 0 224.307 3.755 20 0 BHADRN c1ccc2nc(N[C@@H]3CC=CCC3)ccc2c1 ZINC000080119963 386236198 /nfs/dbraw/zinc/23/61/98/386236198.db2.gz DJNUPUVKVOUAEE-CYBMUJFWSA-N 0 0 224.307 3.755 20 0 BHADRN c1ccc2sc(N[C@H]3CC=CCC3)nc2c1 ZINC000080120013 398228315 /nfs/dbraw/zinc/22/83/15/398228315.db2.gz RVPMXLJGVMOEIX-JTQLQIEISA-N 0 0 230.336 3.817 20 0 BHADRN c1ccc2sc(N[C@@H]3CC=CCC3)nc2c1 ZINC000080120017 188048958 /nfs/dbraw/zinc/04/89/58/188048958.db2.gz RVPMXLJGVMOEIX-SNVBAGLBSA-N 0 0 230.336 3.817 20 0 BHADRN c1cc2c(ccnc2N[C@H]2CC=CCC2)s1 ZINC000080120100 370728430 /nfs/dbraw/zinc/72/84/30/370728430.db2.gz JFZSBZAWESYYQB-JTQLQIEISA-N 0 0 230.336 3.817 20 0 BHADRN c1cc2c(ccnc2N[C@@H]2CC=CCC2)s1 ZINC000080120103 370728779 /nfs/dbraw/zinc/72/87/79/370728779.db2.gz JFZSBZAWESYYQB-SNVBAGLBSA-N 0 0 230.336 3.817 20 0 BHADRN FC(F)(F)c1cccc(N[C@H]2CC=CCC2)n1 ZINC000080120575 180894972 /nfs/dbraw/zinc/89/49/72/180894972.db2.gz NVVZLISTIOCCGG-VIFPVBQESA-N 0 0 242.244 3.621 20 0 BHADRN FC(F)(F)c1cccc(N[C@@H]2CC=CCC2)n1 ZINC000080120581 180894574 /nfs/dbraw/zinc/89/45/74/180894574.db2.gz NVVZLISTIOCCGG-SECBINFHSA-N 0 0 242.244 3.621 20 0 BHADRN FC(F)(F)c1ccc(N[C@H]2CC=CCC2)nc1 ZINC000080120859 387979351 /nfs/dbraw/zinc/97/93/51/387979351.db2.gz WFBSJVFDDHSNCZ-JTQLQIEISA-N 0 0 242.244 3.621 20 0 BHADRN FC(F)(F)c1ccc(N[C@@H]2CC=CCC2)nc1 ZINC000080120864 387979070 /nfs/dbraw/zinc/97/90/70/387979070.db2.gz WFBSJVFDDHSNCZ-SNVBAGLBSA-N 0 0 242.244 3.621 20 0 BHADRN Cc1nccn1Cc1ccc(-c2ccccc2)cc1 ZINC000080137276 388553812 /nfs/dbraw/zinc/55/38/12/388553812.db2.gz IDZHCQVYEKZYOR-UHFFFAOYSA-N 0 0 248.329 3.907 20 0 BHADRN CSCc1cccc(NC(=O)CC2CCC2)c1 ZINC000080178600 370734168 /nfs/dbraw/zinc/73/41/68/370734168.db2.gz GOEVFXDTNWINJH-UHFFFAOYSA-N 0 0 249.379 3.678 20 0 BHADRN CCOc1ccc(NCc2occc2C)c(C)c1 ZINC000080191392 644236884 /nfs/dbraw/zinc/23/68/84/644236884.db2.gz NPZKEKFBDIRLFO-UHFFFAOYSA-N 0 0 245.322 3.907 20 0 BHADRN Cc1cccc(NCc2cccnc2Cl)c1 ZINC000080191515 633017889 /nfs/dbraw/zinc/01/78/89/633017889.db2.gz QGBLCHSIOUQXOG-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1ccoc1CNc1cccc(C)c1 ZINC000080191556 384159366 /nfs/dbraw/zinc/15/93/66/384159366.db2.gz AICJAXMDKZGDML-UHFFFAOYSA-N 0 0 201.269 3.509 20 0 BHADRN Cc1ccoc1CNc1ccc(OC(C)C)cc1 ZINC000080192406 644237603 /nfs/dbraw/zinc/23/76/03/644237603.db2.gz IWORDTWOZMQPIW-UHFFFAOYSA-N 0 0 245.322 3.987 20 0 BHADRN CCC(CC)NC(=O)c1cc2cc(C)ccc2o1 ZINC000080209331 370736887 /nfs/dbraw/zinc/73/68/87/370736887.db2.gz XUHOVBKYZHLDRM-UHFFFAOYSA-N 0 0 245.322 3.660 20 0 BHADRN O=C(/C=C/C1CC1)N1CCCC2(CCCCC2)C1 ZINC000080212797 644239214 /nfs/dbraw/zinc/23/92/14/644239214.db2.gz WEUIAGVZJGAXAU-BQYQJAHWSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(CC1CCC1)N1CCCC2(CCCCC2)C1 ZINC000080212832 345120506 /nfs/dbraw/zinc/12/05/06/345120506.db2.gz FZYQHUPSMWMYNT-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN FC(F)COc1ccc(Cl)cc1Cl ZINC000080214182 490626824 /nfs/dbraw/zinc/62/68/24/490626824.db2.gz XFZYGYYAMBGJPP-UHFFFAOYSA-N 0 0 227.037 3.637 20 0 BHADRN CSc1ccc(N(C)C(=O)CC2CCC2)cc1 ZINC000080238561 345124800 /nfs/dbraw/zinc/12/48/00/345124800.db2.gz JLRYLNJHFOCRMR-UHFFFAOYSA-N 0 0 249.379 3.562 20 0 BHADRN Cc1ccc(C[C@H](C)Nc2cccc(C)n2)s1 ZINC000080248656 179153151 /nfs/dbraw/zinc/15/31/51/179153151.db2.gz 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BHADRN C/C=C(/C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000080258567 631380090 /nfs/dbraw/zinc/38/00/90/631380090.db2.gz IQFPTLRUWSNZFH-WZUFQYTHSA-N 0 0 217.312 3.715 20 0 BHADRN C/C=C(/C)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000080258777 644241671 /nfs/dbraw/zinc/24/16/71/644241671.db2.gz FSFAQRRNIWQJFV-WTKPLQERSA-N 0 0 246.335 3.509 20 0 BHADRN C/C=C(/C)C(=O)Nc1nc2c(cccc2C)s1 ZINC000080259222 644242338 /nfs/dbraw/zinc/24/23/38/644242338.db2.gz UFUUOWFKXFVKOL-YWEYNIOJSA-N 0 0 246.335 3.509 20 0 BHADRN C/C=C(/C)C(=O)Nc1cccc(C(C)C)c1 ZINC000080259672 644243528 /nfs/dbraw/zinc/24/35/28/644243528.db2.gz ISRMUKYCXDQBDH-WZUFQYTHSA-N 0 0 217.312 3.715 20 0 BHADRN C/C=C(\C)C(=O)N(Cc1ccccc1)[C@H](C)CC ZINC000080259788 188312241 /nfs/dbraw/zinc/31/22/41/188312241.db2.gz OMNJHOLPYVECDF-BRRGFWCPSA-N 0 0 245.366 3.780 20 0 BHADRN C/C=C(\C)C(=O)N(Cc1ccccc1)[C@@H](C)CC ZINC000080259791 188312280 /nfs/dbraw/zinc/31/22/80/188312280.db2.gz OMNJHOLPYVECDF-GUVYXZIWSA-N 0 0 245.366 3.780 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000080260710 644243750 /nfs/dbraw/zinc/24/37/50/644243750.db2.gz JJFBISOSCOQRQB-XNISGLLXSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000080260714 643285016 /nfs/dbraw/zinc/28/50/16/643285016.db2.gz JJFBISOSCOQRQB-KSKAUBAUSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000080261058 644243333 /nfs/dbraw/zinc/24/33/33/644243333.db2.gz HVYNKNFXCGDYOT-ZDWRTJATSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000080261059 644243768 /nfs/dbraw/zinc/24/37/68/644243768.db2.gz HVYNKNFXCGDYOT-NFEOESJKSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(\C)C(=O)N1CCc2sccc2[C@H]1CC ZINC000080261144 384542112 /nfs/dbraw/zinc/54/21/12/384542112.db2.gz BLGOOWBZXOBOBR-LHJMJDNXSA-N 0 0 249.379 3.550 20 0 BHADRN C/C=C(\C)C(=O)N1CCc2sccc2[C@@H]1CC ZINC000080261149 384543218 /nfs/dbraw/zinc/54/32/18/384543218.db2.gz BLGOOWBZXOBOBR-YCGNWBHESA-N 0 0 249.379 3.550 20 0 BHADRN CCC(C)(CC)NC(=O)/C=C(/C)C(C)(C)C ZINC000080261743 644242779 /nfs/dbraw/zinc/24/27/79/644242779.db2.gz YITPTKNQNANPLF-KHPPLWFESA-N 0 0 225.376 3.674 20 0 BHADRN CC[C@H](NCc1ccc(C)cc1)c1nccs1 ZINC000080263125 387985212 /nfs/dbraw/zinc/98/52/12/387985212.db2.gz MGIVROINPOXWEB-ZDUSSCGKSA-N 0 0 246.379 3.692 20 0 BHADRN CC[C@@H](NCc1ccc(C)cc1)c1nccs1 ZINC000080263128 387985725 /nfs/dbraw/zinc/98/57/25/387985725.db2.gz MGIVROINPOXWEB-CYBMUJFWSA-N 0 0 246.379 3.692 20 0 BHADRN Cc1ccccc1[C@@H](C)N[C@@H](C)c1nccs1 ZINC000080264968 179321950 /nfs/dbraw/zinc/32/19/50/179321950.db2.gz GAIGVWBOCWRTKD-NEPJUHHUSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccccc1[C@H](C)N[C@@H](C)c1nccs1 ZINC000080264969 179339813 /nfs/dbraw/zinc/33/98/13/179339813.db2.gz GAIGVWBOCWRTKD-RYUDHWBXSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccccc1[C@@H](C)N[C@H](C)c1nccs1 ZINC000080264972 179322858 /nfs/dbraw/zinc/32/28/58/179322858.db2.gz GAIGVWBOCWRTKD-VXGBXAGGSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H](C)c2nccs2)cc1 ZINC000080265267 384542377 /nfs/dbraw/zinc/54/23/77/384542377.db2.gz KPYKUDVVPKKSTN-NEPJUHHUSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H](C)c2nccs2)cc1 ZINC000080265269 387985158 /nfs/dbraw/zinc/98/51/58/387985158.db2.gz KPYKUDVVPKKSTN-RYUDHWBXSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080265271 384541865 /nfs/dbraw/zinc/54/18/65/384541865.db2.gz KPYKUDVVPKKSTN-VXGBXAGGSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1ccc([C@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080265272 387985134 /nfs/dbraw/zinc/98/51/34/387985134.db2.gz KPYKUDVVPKKSTN-NWDGAFQWSA-N 0 0 246.379 3.863 20 0 BHADRN CCc1ccccc1CN[C@@H](C)c1nccs1 ZINC000080266322 384543998 /nfs/dbraw/zinc/54/39/98/384543998.db2.gz BGSNWYXIXQLKGE-NSHDSACASA-N 0 0 246.379 3.556 20 0 BHADRN CCc1ccccc1CN[C@H](C)c1nccs1 ZINC000080266325 384543678 /nfs/dbraw/zinc/54/36/78/384543678.db2.gz BGSNWYXIXQLKGE-LLVKDONJSA-N 0 0 246.379 3.556 20 0 BHADRN Cc1csc([C@@H](C)N[C@@H](C)c2ccccc2)n1 ZINC000080273828 135368373 /nfs/dbraw/zinc/36/83/73/135368373.db2.gz CLLGNZPIDCMUNH-NWDGAFQWSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1csc([C@H](C)N[C@@H](C)c2ccccc2)n1 ZINC000080273831 135368447 /nfs/dbraw/zinc/36/84/47/135368447.db2.gz CLLGNZPIDCMUNH-RYUDHWBXSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1csc([C@@H](C)N[C@H](C)c2ccccc2)n1 ZINC000080273832 135368436 /nfs/dbraw/zinc/36/84/36/135368436.db2.gz CLLGNZPIDCMUNH-VXGBXAGGSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1csc([C@H](C)N[C@H](C)c2ccccc2)n1 ZINC000080273837 135368443 /nfs/dbraw/zinc/36/84/43/135368443.db2.gz CLLGNZPIDCMUNH-NEPJUHHUSA-N 0 0 246.379 3.863 20 0 BHADRN CCSc1cccc(NC(=O)CC2CCC2)c1 ZINC000080289555 135368864 /nfs/dbraw/zinc/36/88/64/135368864.db2.gz IPWUTKXTFZARLQ-UHFFFAOYSA-N 0 0 249.379 3.927 20 0 BHADRN CC1CCC2(CCN(C(=O)CC3CCC3)C2)CC1 ZINC000080293327 345140878 /nfs/dbraw/zinc/14/08/78/345140878.db2.gz DGRJYRAHNAIMQW-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN Cc1cc(F)cc(C(=O)N2CCCCC[C@@H]2C)c1 ZINC000080293627 345140617 /nfs/dbraw/zinc/14/06/17/345140617.db2.gz IITZLSCESABZEI-LBPRGKRZSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1cc(F)cc(C(=O)N2CCCCC[C@H]2C)c1 ZINC000080293630 359525370 /nfs/dbraw/zinc/52/53/70/359525370.db2.gz IITZLSCESABZEI-GFCCVEGCSA-N 0 0 249.329 3.539 20 0 BHADRN CCCc1csc(-c2ccccc2)n1 ZINC000080302935 388558470 /nfs/dbraw/zinc/55/84/70/388558470.db2.gz XUSXIZNFBSTXBB-UHFFFAOYSA-N 0 0 203.310 3.763 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1ccc(C)c(O)c1 ZINC000080305795 490633508 /nfs/dbraw/zinc/63/35/08/490633508.db2.gz QYUXLUDCJKZADI-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN Cc1cccc([C@@H](C)NC(=O)CC2CCC2)c1C ZINC000080321960 135369423 /nfs/dbraw/zinc/36/94/23/135369423.db2.gz JRSJERWCFXBBBB-CYBMUJFWSA-N 0 0 245.366 3.671 20 0 BHADRN Cc1cccc([C@H](C)NC(=O)CC2CCC2)c1C ZINC000080321964 135368936 /nfs/dbraw/zinc/36/89/36/135368936.db2.gz JRSJERWCFXBBBB-ZDUSSCGKSA-N 0 0 245.366 3.671 20 0 BHADRN Fc1cccc(NCc2cccc3[nH]ccc32)c1 ZINC000080332725 388558789 /nfs/dbraw/zinc/55/87/89/388558789.db2.gz 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CC[C@]1(C)CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000081322041 135386697 /nfs/dbraw/zinc/38/66/97/135386697.db2.gz VEDUABQFSKLKDI-OAHLLOKOSA-N 0 0 249.354 3.549 20 0 BHADRN CC[C@@]1(C)CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000081322042 536037726 /nfs/dbraw/zinc/03/77/26/536037726.db2.gz VEDUABQFSKLKDI-HNNXBMFYSA-N 0 0 249.354 3.549 20 0 BHADRN CC[C@]1(C)CCCN(C(=O)c2cccc(C)c2)C1 ZINC000081322367 135386610 /nfs/dbraw/zinc/38/66/10/135386610.db2.gz IBRYLUPQZGCROO-MRXNPFEDSA-N 0 0 245.366 3.647 20 0 BHADRN CC[C@@]1(C)CCCN(C(=O)c2cccc(C)c2)C1 ZINC000081322368 536036969 /nfs/dbraw/zinc/03/69/69/536036969.db2.gz IBRYLUPQZGCROO-INIZCTEOSA-N 0 0 245.366 3.647 20 0 BHADRN CCC(=O)N1CCCC[C@@H]1c1cccc(C)c1C ZINC000081322957 168217220 /nfs/dbraw/zinc/21/72/20/168217220.db2.gz KBGWPLCIIOROME-OAHLLOKOSA-N 0 0 245.366 3.767 20 0 BHADRN CCC(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC000081322958 168216903 /nfs/dbraw/zinc/21/69/03/168216903.db2.gz KBGWPLCIIOROME-HNNXBMFYSA-N 0 0 245.366 3.767 20 0 BHADRN CCCc1ccc(C(=O)N2CCC(C)(C)C2)cc1 ZINC000081351063 388573286 /nfs/dbraw/zinc/57/32/86/388573286.db2.gz VHGOEVIYZMDJII-UHFFFAOYSA-N 0 0 245.366 3.511 20 0 BHADRN CC(C)c1ccc(C(=O)N2CCC(C)(C)C2)cc1 ZINC000081352907 345471022 /nfs/dbraw/zinc/47/10/22/345471022.db2.gz WVLKBVXWMVGPJE-UHFFFAOYSA-N 0 0 245.366 3.682 20 0 BHADRN Cc1occc1C(=O)NCCCCC1CCCC1 ZINC000081360796 135386490 /nfs/dbraw/zinc/38/64/90/135386490.db2.gz CMKIKNQYHYCNGJ-UHFFFAOYSA-N 0 0 249.354 3.678 20 0 BHADRN Cc1cnccc1NC(=O)CCCCCC(C)C ZINC000081412368 643293454 /nfs/dbraw/zinc/29/34/54/643293454.db2.gz XHUWYXMSOSCBCQ-UHFFFAOYSA-N 0 0 248.370 3.935 20 0 BHADRN CC(C)CCCCCC(=O)NNc1ccccc1 ZINC000081458144 643219862 /nfs/dbraw/zinc/21/98/62/643219862.db2.gz HUMIGRPOMIXTOO-UHFFFAOYSA-N 0 0 248.370 3.736 20 0 BHADRN Clc1ccc(CN2CCC23CCC3)s1 ZINC000081544939 345477665 /nfs/dbraw/zinc/47/76/65/345477665.db2.gz IXVSOJKWJWPQGA-UHFFFAOYSA-N 0 0 227.760 3.530 20 0 BHADRN CC(C)c1ccccc1NCc1ccc(CO)o1 ZINC000081546795 167641515 /nfs/dbraw/zinc/64/15/15/167641515.db2.gz RDNVHLPRXPMDIP-UHFFFAOYSA-N 0 0 245.322 3.507 20 0 BHADRN CC(C)c1ccc(NCc2ccc(CO)o2)cc1 ZINC000081546823 384621063 /nfs/dbraw/zinc/62/10/63/384621063.db2.gz AIXDKSIXYODKMM-UHFFFAOYSA-N 0 0 245.322 3.507 20 0 BHADRN CCC1(CC)CCN(C(=O)c2ccccc2)CC1 ZINC000081562836 135387237 /nfs/dbraw/zinc/38/72/37/135387237.db2.gz IEIBHXYDCDHKFA-UHFFFAOYSA-N 0 0 245.366 3.729 20 0 BHADRN Fc1ccc(CN2CCC23CCC3)c(Cl)c1 ZINC000081563192 345478687 /nfs/dbraw/zinc/47/86/87/345478687.db2.gz ZWVAIESWINHHDY-UHFFFAOYSA-N 0 0 239.721 3.608 20 0 BHADRN Fc1cccc(Cl)c1CN1CCC12CCC2 ZINC000081580160 345479709 /nfs/dbraw/zinc/47/97/09/345479709.db2.gz PGXHCIRCRJYNMW-UHFFFAOYSA-N 0 0 239.721 3.608 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000081592404 644335284 /nfs/dbraw/zinc/33/52/84/644335284.db2.gz RZNQATSLZWLCON-JAYGETEZSA-N 0 0 249.329 3.605 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000081592406 644334244 /nfs/dbraw/zinc/33/42/44/644334244.db2.gz RZNQATSLZWLCON-RCGFYWBFSA-N 0 0 249.329 3.605 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000081611199 644337435 /nfs/dbraw/zinc/33/74/35/644337435.db2.gz VGGGYNFNLNJIFK-WGOVJSDKSA-N 0 0 243.350 3.625 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000081611200 644337734 /nfs/dbraw/zinc/33/77/34/644337734.db2.gz VGGGYNFNLNJIFK-KJVZHSBYSA-N 0 0 243.350 3.625 20 0 BHADRN CC(C)CC(C)(C)CNC(=O)[C@H]1CC=CCC1 ZINC000081617067 388586532 /nfs/dbraw/zinc/58/65/32/388586532.db2.gz DDFORFJZGCEXNT-ZDUSSCGKSA-N 0 0 237.387 3.531 20 0 BHADRN CC(C)CC(C)(C)CNC(=O)[C@@H]1CC=CCC1 ZINC000081617070 325510384 /nfs/dbraw/zinc/51/03/84/325510384.db2.gz DDFORFJZGCEXNT-CYBMUJFWSA-N 0 0 237.387 3.531 20 0 BHADRN Fc1ccccc1[C@@H]1CCN1CCC(F)(F)F ZINC000081627045 359607898 /nfs/dbraw/zinc/60/78/98/359607898.db2.gz HNJFFLRMKCPYDC-NSHDSACASA-N 0 0 247.235 3.525 20 0 BHADRN Fc1ccccc1[C@H]1CCN1CCC(F)(F)F ZINC000081627047 345487686 /nfs/dbraw/zinc/48/76/86/345487686.db2.gz HNJFFLRMKCPYDC-LLVKDONJSA-N 0 0 247.235 3.525 20 0 BHADRN OCc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000081632838 388587253 /nfs/dbraw/zinc/58/72/53/388587253.db2.gz KBJKIHWIJSFYQX-GOEBONIOSA-N 0 0 245.366 3.560 20 0 BHADRN OCc1cccc(N[C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000081632841 325511335 /nfs/dbraw/zinc/51/13/35/325511335.db2.gz KBJKIHWIJSFYQX-HOCLYGCPSA-N 0 0 245.366 3.560 20 0 BHADRN OCc1cccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000081632849 325511124 /nfs/dbraw/zinc/51/11/24/325511124.db2.gz KBJKIHWIJSFYQX-GDBMZVCRSA-N 0 0 245.366 3.560 20 0 BHADRN OCc1cccc(N[C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000081632852 325511214 /nfs/dbraw/zinc/51/12/14/325511214.db2.gz KBJKIHWIJSFYQX-ZBFHGGJFSA-N 0 0 245.366 3.560 20 0 BHADRN Cc1c2cccc(C)c2oc1C(=O)N(C)C(C)C ZINC000081646898 398271029 /nfs/dbraw/zinc/27/10/29/398271029.db2.gz JDYPKRGIAPGWKG-UHFFFAOYSA-N 0 0 245.322 3.530 20 0 BHADRN C/C=C(/C)C(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000081655425 644337299 /nfs/dbraw/zinc/33/72/99/644337299.db2.gz OHXJTBUVUAHFEG-VDBIKXPHSA-N 0 0 245.366 3.789 20 0 BHADRN C/C=C(/C)C(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000081655427 644337159 /nfs/dbraw/zinc/33/71/59/644337159.db2.gz OHXJTBUVUAHFEG-YRBHFNIASA-N 0 0 245.366 3.789 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000081658685 712730150 /nfs/dbraw/zinc/73/01/50/712730150.db2.gz YCHSFUWUVXFYBC-ZEBCKKTISA-N 0 0 237.368 3.508 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000081658686 712730334 /nfs/dbraw/zinc/73/03/34/712730334.db2.gz YCHSFUWUVXFYBC-BJPMOSCESA-N 0 0 237.368 3.508 20 0 BHADRN CC(C)(O)CCOc1ccc(Cl)cc1Cl ZINC000081676383 388589587 /nfs/dbraw/zinc/58/95/87/388589587.db2.gz SMWKOYRDHIXVGK-UHFFFAOYSA-N 0 0 249.137 3.533 20 0 BHADRN CC(C)(O)CCOc1cccc(Cl)c1Cl ZINC000081676427 325513819 /nfs/dbraw/zinc/51/38/19/325513819.db2.gz CRPKOFFFNHGVGK-UHFFFAOYSA-N 0 0 249.137 3.533 20 0 BHADRN CC(C)(O)CCOc1cc(Cl)cc(Cl)c1 ZINC000081676438 388589598 /nfs/dbraw/zinc/58/95/98/388589598.db2.gz HAQKMCOAUPBDIF-UHFFFAOYSA-N 0 0 249.137 3.533 20 0 BHADRN CCc1ccc(C(C)(C)NC(=O)C=C(C)C)cc1 ZINC000081701010 631395933 /nfs/dbraw/zinc/39/59/33/631395933.db2.gz LVVVUVAHFKHVIM-UHFFFAOYSA-N 0 0 245.366 3.567 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(C)cc1OCCC ZINC000081705291 384630299 /nfs/dbraw/zinc/63/02/99/384630299.db2.gz TWVNSTXHFGKVIB-WUXMJOGZSA-N 0 0 247.338 3.689 20 0 BHADRN C/C=C(\C)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000081705338 644339648 /nfs/dbraw/zinc/33/96/48/644339648.db2.gz QJMRNAZGALDCFG-JVOXIWMLSA-N 0 0 249.329 3.701 20 0 BHADRN C/C=C(\C)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000081705339 644340692 /nfs/dbraw/zinc/34/06/92/644340692.db2.gz QJMRNAZGALDCFG-JXDHDYMSSA-N 0 0 249.329 3.701 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc(OC(C)C)cc1C ZINC000081706318 644340787 /nfs/dbraw/zinc/34/07/87/644340787.db2.gz VNXOYDDWOYPVPW-WDZFZDKYSA-N 0 0 247.338 3.687 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000081706465 344147462 /nfs/dbraw/zinc/14/74/62/344147462.db2.gz SWSZNCLHHHGPLO-KYHFQZCVSA-N 0 0 243.350 3.625 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccccc1OCCCC ZINC000081708493 187281451 /nfs/dbraw/zinc/28/14/51/187281451.db2.gz QPFCTHSXALVKIM-LFYBBSHMSA-N 0 0 247.338 3.770 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc(OCCCC)c1 ZINC000081710132 644339011 /nfs/dbraw/zinc/33/90/11/644339011.db2.gz LZAISKRDABSKCI-LFYBBSHMSA-N 0 0 247.338 3.770 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 ZINC000081711776 644338488 /nfs/dbraw/zinc/33/84/88/644338488.db2.gz AZXQCJQGBLBUEP-JXDHDYMSSA-N 0 0 247.338 3.769 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000081711778 644339966 /nfs/dbraw/zinc/33/99/66/644339966.db2.gz AZXQCJQGBLBUEP-JVOXIWMLSA-N 0 0 247.338 3.769 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc(O[C@H](C)CC)c1 ZINC000081713253 644340340 /nfs/dbraw/zinc/34/03/40/644340340.db2.gz APRPBPMQTZBLSX-JXDHDYMSSA-N 0 0 247.338 3.769 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000081713259 644340367 /nfs/dbraw/zinc/34/03/67/644340367.db2.gz APRPBPMQTZBLSX-JVOXIWMLSA-N 0 0 247.338 3.769 20 0 BHADRN C/C=C(/C)C(=O)N1CCCC2(CCCCC2)C1 ZINC000081756711 644342991 /nfs/dbraw/zinc/34/29/91/644342991.db2.gz WQZKBJRZNGWTHS-DXNYSGJVSA-N 0 0 235.371 3.526 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000081756973 644343119 /nfs/dbraw/zinc/34/31/19/644343119.db2.gz SEXSGXJAHHGLST-NYXMJBRJSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](c1ccccc1C)C(C)C ZINC000081756974 644343614 /nfs/dbraw/zinc/34/36/14/644343614.db2.gz SEXSGXJAHHGLST-GIXCSOPHSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C(\C)C(=O)Nc1cc(CC)ccc1CC ZINC000081837745 644349311 /nfs/dbraw/zinc/34/93/11/644349311.db2.gz SQDYBFCKFVXGKZ-VZUCSPMQSA-N 0 0 231.339 3.716 20 0 BHADRN CSCc1cccc(C(F)(F)F)c1 ZINC000081952160 388600410 /nfs/dbraw/zinc/60/04/10/388600410.db2.gz MFNKXLUGNVPITD-UHFFFAOYSA-N 0 0 206.232 3.568 20 0 BHADRN C(=C\c1ccccc1)\CNc1ccccc1 ZINC000081954093 325524529 /nfs/dbraw/zinc/52/45/29/325524529.db2.gz ZNEWMEMLGHKZBS-YFHOEESVSA-N 0 0 209.292 3.812 20 0 BHADRN CCCC(=O)Oc1c(Cl)cccc1Cl ZINC000082017083 168569664 /nfs/dbraw/zinc/56/96/64/168569664.db2.gz YJLDJFJQJYCIOQ-UHFFFAOYSA-N 0 0 233.094 3.699 20 0 BHADRN CCCCCC(=O)OC1CCCCCC1 ZINC000082032923 636042480 /nfs/dbraw/zinc/04/24/80/636042480.db2.gz MMBKLGDOTQILGP-UHFFFAOYSA-N 0 0 212.333 3.833 20 0 BHADRN CC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000082035165 635274121 /nfs/dbraw/zinc/27/41/21/635274121.db2.gz YTYFFFILBZACDT-ZDUSSCGKSA-N 0 0 249.354 3.532 20 0 BHADRN Cc1cnc(C)c(NC2CCCCCCC2)n1 ZINC000082188874 643277961 /nfs/dbraw/zinc/27/79/61/643277961.db2.gz DLWNTYTUKLUSOP-UHFFFAOYSA-N 0 0 233.359 3.618 20 0 BHADRN CCCCCC(=O)Nc1ccc(O)c(Cl)c1 ZINC000082193146 384649554 /nfs/dbraw/zinc/64/95/54/384649554.db2.gz AEJUBLBLSWCUHP-UHFFFAOYSA-N 0 0 241.718 3.564 20 0 BHADRN CCC(=O)OC(c1ccccc1)c1ccccc1 ZINC000082224842 631919259 /nfs/dbraw/zinc/91/92/59/631919259.db2.gz IPNRSAWLNCQMAX-UHFFFAOYSA-N 0 0 240.302 3.729 20 0 BHADRN C/C=C/C(=O)Nc1ccc(SC(F)F)cc1 ZINC000082237557 643507992 /nfs/dbraw/zinc/50/79/92/643507992.db2.gz MGQMEOIZWQJHDX-NSCUHMNNSA-N 0 0 243.278 3.516 20 0 BHADRN C/C=C/C(=O)Nc1ccc(Cl)cc1Cl ZINC000082237603 644360986 /nfs/dbraw/zinc/36/09/86/644360986.db2.gz BSSSBXBTHAEEHM-NSCUHMNNSA-N 0 0 230.094 3.508 20 0 BHADRN C/C=C/C(=O)Nc1ccccc1SC(F)F ZINC000082237627 643507892 /nfs/dbraw/zinc/50/78/92/643507892.db2.gz QMADFWBARXDCHM-GORDUTHDSA-N 0 0 243.278 3.516 20 0 BHADRN C/C=C/C(=O)Nc1ccc(CCCC)cc1 ZINC000082237658 644361231 /nfs/dbraw/zinc/36/12/31/644361231.db2.gz LDJPPEOUGNIULH-GQCTYLIASA-N 0 0 217.312 3.544 20 0 BHADRN Cc1cccc(SCC2(O)CCCCC2)c1 ZINC000082254424 644357771 /nfs/dbraw/zinc/35/77/71/644357771.db2.gz LNRYZWHGGAWWEN-UHFFFAOYSA-N 0 0 236.380 3.782 20 0 BHADRN CC(C)(C)OCCSc1ccccc1 ZINC000082261317 325534820 /nfs/dbraw/zinc/53/48/20/325534820.db2.gz ACMOJQZBMGVDAU-UHFFFAOYSA-N 0 0 210.342 3.594 20 0 BHADRN Fc1cccc(Cl)c1CNc1nccs1 ZINC000082264045 644363254 /nfs/dbraw/zinc/36/32/54/644363254.db2.gz MDVOHXIUYZUKQX-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN Cc1cc(C)c(CNc2nccs2)c(C)c1 ZINC000082264050 644362049 /nfs/dbraw/zinc/36/20/49/644362049.db2.gz FKIFGQZDVAMXCW-UHFFFAOYSA-N 0 0 232.352 3.680 20 0 BHADRN c1csc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000082267069 643286790 /nfs/dbraw/zinc/28/67/90/643286790.db2.gz OYVPHGXPRLMWFX-QJPTWQEYSA-N 0 0 236.384 3.914 20 0 BHADRN c1csc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000082267074 643287557 /nfs/dbraw/zinc/28/75/57/643287557.db2.gz OYVPHGXPRLMWFX-IJLUTSLNSA-N 0 0 236.384 3.914 20 0 BHADRN CC(C)c1ccccc1NC(=O)CC1CC1 ZINC000082268455 345499435 /nfs/dbraw/zinc/49/94/35/345499435.db2.gz DXKIKUXOOPPQCL-UHFFFAOYSA-N 0 0 217.312 3.549 20 0 BHADRN CC(C)c1ccc(NC(=O)CC2CC2)cc1 ZINC000082268456 345499329 /nfs/dbraw/zinc/49/93/29/345499329.db2.gz CXBPOWCEALMHLD-UHFFFAOYSA-N 0 0 217.312 3.549 20 0 BHADRN CC(C)(C)c1ccccc1NC(=O)CC1CC1 ZINC000082268477 345499460 /nfs/dbraw/zinc/49/94/60/345499460.db2.gz AXUGHZBGSSGCOE-UHFFFAOYSA-N 0 0 231.339 3.723 20 0 BHADRN CC(C)(C)c1ccc(NC(=O)CC2CC2)cc1 ZINC000082268478 345499192 /nfs/dbraw/zinc/49/91/92/345499192.db2.gz GWBQLVNEKCOUKN-UHFFFAOYSA-N 0 0 231.339 3.723 20 0 BHADRN CC(C)(C)Oc1ccc(NC(=O)CC2CC2)cc1 ZINC000082268524 384657893 /nfs/dbraw/zinc/65/78/93/384657893.db2.gz CVSTWGARZMMHEV-UHFFFAOYSA-N 0 0 247.338 3.603 20 0 BHADRN CC(C)CC(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000082277354 384319346 /nfs/dbraw/zinc/31/93/46/384319346.db2.gz RTSXZZONPHQDEY-UHFFFAOYSA-N 0 0 247.382 3.646 20 0 BHADRN CC(C)(C)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000082277484 384320479 /nfs/dbraw/zinc/32/04/79/384320479.db2.gz HEWITZLYJBCPPY-UHFFFAOYSA-N 0 0 247.382 3.646 20 0 BHADRN O=C(CC1CCCCC1)NCC1CCCCC1 ZINC000082283335 487588662 /nfs/dbraw/zinc/58/86/62/487588662.db2.gz ZSWHOKVIGHQKIE-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN Cc1ccc(NC(=O)CC2CCCCC2)cc1O ZINC000082283349 388611714 /nfs/dbraw/zinc/61/17/14/388611714.db2.gz XANWTKRHLFHXHD-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CN(C(=O)CC1CCCCC1)c1ccccc1F ZINC000082283350 325535432 /nfs/dbraw/zinc/53/54/32/325535432.db2.gz GRNPYVUQELNLRO-UHFFFAOYSA-N 0 0 249.329 3.759 20 0 BHADRN Cc1csc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000082306070 384221812 /nfs/dbraw/zinc/22/18/12/384221812.db2.gz GYNMPSGVDSVEIZ-NSHDSACASA-N 0 0 245.347 3.548 20 0 BHADRN Cc1csc(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000082306072 135434398 /nfs/dbraw/zinc/43/43/98/135434398.db2.gz GYNMPSGVDSVEIZ-LLVKDONJSA-N 0 0 245.347 3.548 20 0 BHADRN O=C(Nc1ccccc1)c1cc(Cl)cs1 ZINC000082320515 631402596 /nfs/dbraw/zinc/40/25/96/631402596.db2.gz FJTCNQYOMNWCFG-UHFFFAOYSA-N 0 0 237.711 3.654 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCCCS2)c(C)c1 ZINC000082322514 388029444 /nfs/dbraw/zinc/02/94/44/388029444.db2.gz OYCBOPCUUSIQIM-ZDUSSCGKSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCCCS2)c(C)c1 ZINC000082322515 388028555 /nfs/dbraw/zinc/02/85/55/388028555.db2.gz OYCBOPCUUSIQIM-CYBMUJFWSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2CCCCS2)c1 ZINC000082322615 384667047 /nfs/dbraw/zinc/66/70/47/384667047.db2.gz KPTXGHJHMLTXOO-ZDUSSCGKSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@H]2CCCCS2)c1 ZINC000082322616 178483036 /nfs/dbraw/zinc/48/30/36/178483036.db2.gz KPTXGHJHMLTXOO-CYBMUJFWSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCCCS2)cc1C ZINC000082322783 384665695 /nfs/dbraw/zinc/66/56/95/384665695.db2.gz JUOFTRCDKINTRZ-ZDUSSCGKSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCCCS2)cc1C ZINC000082322784 384666950 /nfs/dbraw/zinc/66/69/50/384666950.db2.gz JUOFTRCDKINTRZ-CYBMUJFWSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H]2CCCCS2)c1 ZINC000082322891 388028590 /nfs/dbraw/zinc/02/85/90/388028590.db2.gz UOZRVFIILDUJTO-ZDUSSCGKSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@H]2CCCCS2)c1 ZINC000082322892 388028894 /nfs/dbraw/zinc/02/88/94/388028894.db2.gz UOZRVFIILDUJTO-CYBMUJFWSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1CCCCS1 ZINC000082322996 388029202 /nfs/dbraw/zinc/02/92/02/388029202.db2.gz YJAVSZVHALVEEH-LBPRGKRZSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H]1CCCCS1 ZINC000082322997 388029270 /nfs/dbraw/zinc/02/92/70/388029270.db2.gz YJAVSZVHALVEEH-GFCCVEGCSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCCCS2)c1C ZINC000082323065 179138808 /nfs/dbraw/zinc/13/88/08/179138808.db2.gz IYDSCRJGWCNECH-ZDUSSCGKSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCCCS2)c1C ZINC000082323066 179140423 /nfs/dbraw/zinc/14/04/23/179140423.db2.gz IYDSCRJGWCNECH-CYBMUJFWSA-N 0 0 249.379 3.528 20 0 BHADRN CCN(C(=O)c1cc(C)oc1C)c1ccccc1 ZINC000082323343 384668881 /nfs/dbraw/zinc/66/88/81/384668881.db2.gz NCUFRGMTUCDLCH-UHFFFAOYSA-N 0 0 243.306 3.563 20 0 BHADRN CCN(C(=O)CC1CCCC1)c1ccccc1 ZINC000082323444 135436095 /nfs/dbraw/zinc/43/60/95/135436095.db2.gz BHZWQEFFXOVBPQ-UHFFFAOYSA-N 0 0 231.339 3.620 20 0 BHADRN CC(C)c1ccccc1NC(=O)c1cncs1 ZINC000082323550 388029080 /nfs/dbraw/zinc/02/90/80/388029080.db2.gz LLGPQZPXXVWXOC-UHFFFAOYSA-N 0 0 246.335 3.519 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@@H]1CCSC1 ZINC000082323553 388029550 /nfs/dbraw/zinc/02/95/50/388029550.db2.gz KXMQVAFSLQQREQ-LLVKDONJSA-N 0 0 249.379 3.502 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@H]1CCSC1 ZINC000082323554 388028631 /nfs/dbraw/zinc/02/86/31/388028631.db2.gz KXMQVAFSLQQREQ-NSHDSACASA-N 0 0 249.379 3.502 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@@H]2CCSC2)cc1 ZINC000082323641 262924791 /nfs/dbraw/zinc/92/47/91/262924791.db2.gz NUSYCMYCXOSOBS-GFCCVEGCSA-N 0 0 249.379 3.502 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@H]2CCSC2)cc1 ZINC000082323642 388462768 /nfs/dbraw/zinc/46/27/68/388462768.db2.gz NUSYCMYCXOSOBS-LBPRGKRZSA-N 0 0 249.379 3.502 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@@H]2CCCS2)cc1 ZINC000082323656 384669915 /nfs/dbraw/zinc/66/99/15/384669915.db2.gz QVLZHHADEVDNBH-ZDUSSCGKSA-N 0 0 249.379 3.644 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@H]2CCCS2)cc1 ZINC000082323657 384668591 /nfs/dbraw/zinc/66/85/91/384668591.db2.gz QVLZHHADEVDNBH-CYBMUJFWSA-N 0 0 249.379 3.644 20 0 BHADRN Cc1cccc(C(C)C)c1NC(=O)c1cc[nH]c1 ZINC000082323853 323075746 /nfs/dbraw/zinc/07/57/46/323075746.db2.gz SMZCKDURGYPGTG-UHFFFAOYSA-N 0 0 242.322 3.699 20 0 BHADRN CC(C)(C)c1ccccc1NC(=O)c1cc[nH]c1 ZINC000082323913 644371509 /nfs/dbraw/zinc/37/15/09/644371509.db2.gz QZLVUECLZFWQKZ-UHFFFAOYSA-N 0 0 242.322 3.565 20 0 BHADRN O=C(Nc1cccc2cc[nH]c21)C1CCCCC1 ZINC000082345608 325538303 /nfs/dbraw/zinc/53/83/03/325538303.db2.gz GYDPWEGESSGOIZ-UHFFFAOYSA-N 0 0 242.322 3.687 20 0 BHADRN CCC(CC)C(=O)Nc1cccc2cc[nH]c21 ZINC000082345617 325538294 /nfs/dbraw/zinc/53/82/94/325538294.db2.gz KBMMNAGGWMIGCH-UHFFFAOYSA-N 0 0 230.311 3.543 20 0 BHADRN CC(C)(C)CC(=O)Nc1cccc2cc[nH]c21 ZINC000082345675 325538013 /nfs/dbraw/zinc/53/80/13/325538013.db2.gz LICVASGLEBJLDM-UHFFFAOYSA-N 0 0 230.311 3.543 20 0 BHADRN CCCCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000082349172 388030430 /nfs/dbraw/zinc/03/04/30/388030430.db2.gz PPNNRZDNVUVWLU-DZGCQCFKSA-N 0 0 245.366 3.581 20 0 BHADRN CCCCC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000082349173 388030961 /nfs/dbraw/zinc/03/09/61/388030961.db2.gz PPNNRZDNVUVWLU-ZFWWWQNUSA-N 0 0 245.366 3.581 20 0 BHADRN CCCCC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000082349176 388031013 /nfs/dbraw/zinc/03/10/13/388031013.db2.gz PPNNRZDNVUVWLU-UKRRQHHQSA-N 0 0 245.366 3.581 20 0 BHADRN CCCCC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000082349178 388030869 /nfs/dbraw/zinc/03/08/69/388030869.db2.gz PPNNRZDNVUVWLU-HIFRSBDPSA-N 0 0 245.366 3.581 20 0 BHADRN CCCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000082349555 384672987 /nfs/dbraw/zinc/67/29/87/384672987.db2.gz UFEFXSMPDVBQDY-ZFWWWQNUSA-N 0 0 245.366 3.581 20 0 BHADRN CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000082349557 384672106 /nfs/dbraw/zinc/67/21/06/384672106.db2.gz UFEFXSMPDVBQDY-DZGCQCFKSA-N 0 0 245.366 3.581 20 0 BHADRN CCCCC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000082349559 384672111 /nfs/dbraw/zinc/67/21/11/384672111.db2.gz UFEFXSMPDVBQDY-HIFRSBDPSA-N 0 0 245.366 3.581 20 0 BHADRN CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000082349562 384672010 /nfs/dbraw/zinc/67/20/10/384672010.db2.gz UFEFXSMPDVBQDY-UKRRQHHQSA-N 0 0 245.366 3.581 20 0 BHADRN CC(C)(C)CC(=O)NC(C)(C)c1cccs1 ZINC000082353415 361964180 /nfs/dbraw/zinc/96/41/80/361964180.db2.gz LGFXWBLLGAZIIM-UHFFFAOYSA-N 0 0 239.384 3.536 20 0 BHADRN CCN(C(=O)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000082358003 535697880 /nfs/dbraw/zinc/69/78/80/535697880.db2.gz JZOLFOAFFLWXCC-UHFFFAOYSA-N 0 0 245.366 3.609 20 0 BHADRN O=C(Nc1ccccc1)N(C1CC1)C1CCCC1 ZINC000082358792 388464713 /nfs/dbraw/zinc/46/47/13/388464713.db2.gz CYUNEWFVCZODLS-UHFFFAOYSA-N 0 0 244.338 3.626 20 0 BHADRN CCC(=O)[C@@H](C)Sc1cccc(Cl)c1 ZINC000082375781 384287270 /nfs/dbraw/zinc/28/72/70/384287270.db2.gz YIYCQBAWDUANJG-MRVPVSSYSA-N 0 0 228.744 3.800 20 0 BHADRN CCC(=O)[C@H](C)Sc1cccc(Cl)c1 ZINC000082375782 384287487 /nfs/dbraw/zinc/28/74/87/384287487.db2.gz YIYCQBAWDUANJG-QMMMGPOBSA-N 0 0 228.744 3.800 20 0 BHADRN c1csc(NC2CC(c3ccccc3)C2)n1 ZINC000082416078 631404543 /nfs/dbraw/zinc/40/45/43/631404543.db2.gz YZIPGEDYTOSKPS-UHFFFAOYSA-N 0 0 230.336 3.501 20 0 BHADRN O[C@@H](CSC1CCCC1)c1ccc(F)cc1 ZINC000082435345 183183834 /nfs/dbraw/zinc/18/38/34/183183834.db2.gz QZMSJSIPSALFRH-ZDUSSCGKSA-N 0 0 240.343 3.535 20 0 BHADRN Clc1cccc(N2CCCCCCC2)n1 ZINC000082460834 643319824 /nfs/dbraw/zinc/31/98/24/643319824.db2.gz NHFHFKQDQBYVGY-UHFFFAOYSA-N 0 0 224.735 3.506 20 0 BHADRN Cc1ccc(CNc2cccc(Cl)n2)cc1 ZINC000082460898 643317046 /nfs/dbraw/zinc/31/70/46/643317046.db2.gz LHCSZHJJQIENQW-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN CC(C)C[C@@H](C)Nc1cccc(Cl)n1 ZINC000082460955 643317449 /nfs/dbraw/zinc/31/74/49/643317449.db2.gz BIZLZBKFRNMLNI-SECBINFHSA-N 0 0 212.724 3.582 20 0 BHADRN CC(C)C[C@H](C)Nc1cccc(Cl)n1 ZINC000082460956 643317882 /nfs/dbraw/zinc/31/78/82/643317882.db2.gz BIZLZBKFRNMLNI-VIFPVBQESA-N 0 0 212.724 3.582 20 0 BHADRN Cc1ccccc1CNc1cccc(Cl)n1 ZINC000082461079 179286478 /nfs/dbraw/zinc/28/64/78/179286478.db2.gz KSKRWOYJHOBGLR-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1cccc(CNc2cccc(Cl)n2)c1 ZINC000082461080 643317502 /nfs/dbraw/zinc/31/75/02/643317502.db2.gz XFKKOXYASCTICJ-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cccc(Cl)n1 ZINC000082461200 643317768 /nfs/dbraw/zinc/31/77/68/643317768.db2.gz OGFMQWVKBDDROJ-RKDXNWHRSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cccc(Cl)n1 ZINC000082461204 643317590 /nfs/dbraw/zinc/31/75/90/643317590.db2.gz OGFMQWVKBDDROJ-DTWKUNHWSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cccc(Cl)n1 ZINC000082461206 643316797 /nfs/dbraw/zinc/31/67/97/643316797.db2.gz OGFMQWVKBDDROJ-BDAKNGLRSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cccc(Cl)n1 ZINC000082461208 643316784 /nfs/dbraw/zinc/31/67/84/643316784.db2.gz OGFMQWVKBDDROJ-IUCAKERBSA-N 0 0 212.724 3.582 20 0 BHADRN C[C@H](N(C)c1cccc(Cl)n1)C(C)(C)C ZINC000082461383 643317473 /nfs/dbraw/zinc/31/74/73/643317473.db2.gz BWDWOWCGEBMOBE-VIFPVBQESA-N 0 0 226.751 3.606 20 0 BHADRN C[C@@H](N(C)c1cccc(Cl)n1)C(C)(C)C ZINC000082461386 631405190 /nfs/dbraw/zinc/40/51/90/631405190.db2.gz BWDWOWCGEBMOBE-SECBINFHSA-N 0 0 226.751 3.606 20 0 BHADRN Cc1ccc(CNc2cccc(Cl)n2)s1 ZINC000082461477 643316838 /nfs/dbraw/zinc/31/68/38/643316838.db2.gz GXBUWHVCXLKXGU-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CCC[C@@H](CC)Nc1cccc(Cl)n1 ZINC000082461492 643318018 /nfs/dbraw/zinc/31/80/18/643318018.db2.gz PPIGIOOKEMWPPD-SECBINFHSA-N 0 0 212.724 3.726 20 0 BHADRN CCC[C@H](CC)Nc1cccc(Cl)n1 ZINC000082461495 643317720 /nfs/dbraw/zinc/31/77/20/643317720.db2.gz PPIGIOOKEMWPPD-VIFPVBQESA-N 0 0 212.724 3.726 20 0 BHADRN C[C@H](Nc1cccc(Cl)n1)c1ccsc1 ZINC000082461595 643318024 /nfs/dbraw/zinc/31/80/24/643318024.db2.gz LHDJCMGWIZAXJC-QMMMGPOBSA-N 0 0 238.743 3.970 20 0 BHADRN C[C@@H](Nc1cccc(Cl)n1)c1ccsc1 ZINC000082461596 643317665 /nfs/dbraw/zinc/31/76/65/643317665.db2.gz LHDJCMGWIZAXJC-MRVPVSSYSA-N 0 0 238.743 3.970 20 0 BHADRN CC(C)CCCNc1cccc(Cl)n1 ZINC000082461626 643316586 /nfs/dbraw/zinc/31/65/86/643316586.db2.gz REQJBDREQVGKDK-UHFFFAOYSA-N 0 0 212.724 3.583 20 0 BHADRN CCC1(C)CCN(c2cccc(Cl)n2)CC1 ZINC000082461634 643318727 /nfs/dbraw/zinc/31/87/27/643318727.db2.gz ULLMTSXHMYQAQA-UHFFFAOYSA-N 0 0 238.762 3.752 20 0 BHADRN CC(C)c1cccc(NCc2nccs2)c1 ZINC000082493531 491146848 /nfs/dbraw/zinc/14/68/48/491146848.db2.gz LECUPLAEQAKRSG-UHFFFAOYSA-N 0 0 232.352 3.879 20 0 BHADRN CCCc1ccc(NCc2nccs2)cc1 ZINC000082493532 643326932 /nfs/dbraw/zinc/32/69/32/643326932.db2.gz SXNDQJNINMHDLO-UHFFFAOYSA-N 0 0 232.352 3.708 20 0 BHADRN Cc1ccc(NCc2nccs2)c(Cl)c1 ZINC000082493542 343442129 /nfs/dbraw/zinc/44/21/29/343442129.db2.gz UZBOVSZEEFQYDE-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Fc1c(Cl)cccc1NCc1nccs1 ZINC000082493544 343442416 /nfs/dbraw/zinc/44/24/16/343442416.db2.gz LPPKUXLNIBLZTA-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN Fc1ccc(NCc2nccs2)c(Cl)c1 ZINC000082493558 343442453 /nfs/dbraw/zinc/44/24/53/343442453.db2.gz DBTMBHGFRYIMSC-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN Fc1ccc(Cl)cc1NCc1nccs1 ZINC000082493566 134971725 /nfs/dbraw/zinc/97/17/25/134971725.db2.gz IIGTXAXCWUFOHU-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 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3.501 20 0 BHADRN COc1ccc(NCc2ccc(F)cc2)c(F)c1 ZINC000082711692 644396727 /nfs/dbraw/zinc/39/67/27/644396727.db2.gz WOBDIGYSKIVTBD-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN Oc1ccccc1Nc1ccc(Cl)cc1 ZINC000082714681 183303660 /nfs/dbraw/zinc/30/36/60/183303660.db2.gz XFMILZHPUWRGES-UHFFFAOYSA-N 0 0 219.671 3.789 20 0 BHADRN Oc1cccc(Nc2ccc(Cl)cc2)c1 ZINC000082714724 183292644 /nfs/dbraw/zinc/29/26/44/183292644.db2.gz GSHBBDLSLCDLCP-UHFFFAOYSA-N 0 0 219.671 3.789 20 0 BHADRN COc1ccc(Nc2ccccc2F)cc1 ZINC000082714816 187968855 /nfs/dbraw/zinc/96/88/55/187968855.db2.gz ZGNWCEHNELRVNE-UHFFFAOYSA-N 0 0 217.243 3.578 20 0 BHADRN Fc1ccc(Nc2ccc(F)cc2)cc1 ZINC000082714861 398278250 /nfs/dbraw/zinc/27/82/50/398278250.db2.gz SGJCXOWLBVNALR-UHFFFAOYSA-N 0 0 205.207 3.708 20 0 BHADRN Clc1cccc(Nc2nccs2)c1 ZINC000082715157 180590978 /nfs/dbraw/zinc/59/09/78/180590978.db2.gz OASLNBGUBDNDOU-UHFFFAOYSA-N 0 0 210.689 3.540 20 0 BHADRN Fc1ccc(Nc2cccnc2)cc1Cl ZINC000082715940 398278362 /nfs/dbraw/zinc/27/83/62/398278362.db2.gz DIOLDEBCOSBTLY-UHFFFAOYSA-N 0 0 222.650 3.618 20 0 BHADRN CC(C)Oc1ccc(Nc2nccs2)cc1 ZINC000082716295 643371655 /nfs/dbraw/zinc/37/16/55/643371655.db2.gz DDCJHGCEWUBWKP-UHFFFAOYSA-N 0 0 234.324 3.674 20 0 BHADRN CCOC(=O)c1cccc(Nc2ccccc2)c1 ZINC000082716421 384552210 /nfs/dbraw/zinc/55/22/10/384552210.db2.gz IFERRBZMLVXUEE-UHFFFAOYSA-N 0 0 241.290 3.607 20 0 BHADRN CNc1ccc(OCc2ccccc2)cc1C ZINC000082721976 388587742 /nfs/dbraw/zinc/58/77/42/388587742.db2.gz VKYLYMLPQVVWOT-UHFFFAOYSA-N 0 0 227.307 3.616 20 0 BHADRN CC(C)OC(=O)c1ccc(SC(C)C)cc1 ZINC000082722208 167172764 /nfs/dbraw/zinc/17/27/64/167172764.db2.gz CVSBRDUPDMNVGA-UHFFFAOYSA-N 0 0 238.352 3.752 20 0 BHADRN CCNc1cc(Cl)c(OCC)c(Cl)c1 ZINC000082725258 170171935 /nfs/dbraw/zinc/17/19/35/170171935.db2.gz BHZBUNOPDLZQTE-UHFFFAOYSA-N 0 0 234.126 3.824 20 0 BHADRN CCc1cccc(NCc2nc(C)cs2)c1 ZINC000082725400 388040844 /nfs/dbraw/zinc/04/08/44/388040844.db2.gz NMAHYIOAGBKYRO-UHFFFAOYSA-N 0 0 232.352 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3.601 20 0 BHADRN CC[C@@H]1CCC[C@@H](Nc2ncccc2F)C1 ZINC000082847851 388043178 /nfs/dbraw/zinc/04/31/78/388043178.db2.gz OQVRSEQPKAXIFQ-GHMZBOCLSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@H]1CCC[C@@H](Nc2ncccc2F)C1 ZINC000082847852 388043438 /nfs/dbraw/zinc/04/34/38/388043438.db2.gz OQVRSEQPKAXIFQ-WDEREUQCSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@@H]1CCC[C@H](Nc2ccc(F)cn2)C1 ZINC000082849894 387392112 /nfs/dbraw/zinc/39/21/12/387392112.db2.gz BKJNJJBUUBVPSC-PWSUYJOCSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@H]1CCC[C@H](Nc2ccc(F)cn2)C1 ZINC000082849895 387392586 /nfs/dbraw/zinc/39/25/86/387392586.db2.gz BKJNJJBUUBVPSC-JQWIXIFHSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@@H]1CCC[C@@H](Nc2ccc(F)cn2)C1 ZINC000082849896 387392660 /nfs/dbraw/zinc/39/26/60/387392660.db2.gz BKJNJJBUUBVPSC-ZYHUDNBSSA-N 0 0 222.307 3.601 20 0 BHADRN CC[C@H]1CCC[C@@H](Nc2ccc(F)cn2)C1 ZINC000082849897 387392407 /nfs/dbraw/zinc/39/24/07/387392407.db2.gz BKJNJJBUUBVPSC-CMPLNLGQSA-N 0 0 222.307 3.601 20 0 BHADRN 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/nfs/dbraw/zinc/40/54/10/643405410.db2.gz PAUVFXGWFLOKLB-CQSZACIVSA-N 0 0 219.328 3.686 20 0 BHADRN CC[C@H](Nc1ccc(OC)c(Cl)c1)C1CC1 ZINC000083054062 643405389 /nfs/dbraw/zinc/40/53/89/643405389.db2.gz ZKOJZHABFVZFGR-LBPRGKRZSA-N 0 0 239.746 3.949 20 0 BHADRN CC[C@@H](Nc1ccc(OC)c(Cl)c1)C1CC1 ZINC000083054064 643405066 /nfs/dbraw/zinc/40/50/66/643405066.db2.gz ZKOJZHABFVZFGR-GFCCVEGCSA-N 0 0 239.746 3.949 20 0 BHADRN CCOc1ccccc1N[C@@H](CC)C1CC1 ZINC000083054067 384737857 /nfs/dbraw/zinc/73/78/57/384737857.db2.gz PKICIDVAAWJSIY-LBPRGKRZSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccccc1N[C@H](CC)C1CC1 ZINC000083054068 384738139 /nfs/dbraw/zinc/73/81/39/384738139.db2.gz PKICIDVAAWJSIY-GFCCVEGCSA-N 0 0 219.328 3.686 20 0 BHADRN CC[C@H](Nc1ccc2c(c1)CCC2)C1CC1 ZINC000083054170 491159486 /nfs/dbraw/zinc/15/94/86/491159486.db2.gz XDNSOMBAQUWXFG-HNNXBMFYSA-N 0 0 215.340 3.776 20 0 BHADRN CC[C@@H](Nc1ccc2c(c1)CCC2)C1CC1 ZINC000083054172 491159489 /nfs/dbraw/zinc/15/94/89/491159489.db2.gz 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CC[C@H](Nc1cccc(Cl)c1)C1CC1 ZINC000083054208 256749449 /nfs/dbraw/zinc/74/94/49/256749449.db2.gz ZTYXDQDVPODMQZ-LBPRGKRZSA-N 0 0 209.720 3.941 20 0 BHADRN CC[C@@H](Nc1cccc(Cl)c1)C1CC1 ZINC000083054209 387397622 /nfs/dbraw/zinc/39/76/22/387397622.db2.gz ZTYXDQDVPODMQZ-GFCCVEGCSA-N 0 0 209.720 3.941 20 0 BHADRN CC[C@H](Nc1ccc(Cl)cc1)C1CC1 ZINC000083054215 387397650 /nfs/dbraw/zinc/39/76/50/387397650.db2.gz UKTDDNOCLZUAMV-LBPRGKRZSA-N 0 0 209.720 3.941 20 0 BHADRN CC[C@@H](Nc1ccc(Cl)cc1)C1CC1 ZINC000083054216 387397238 /nfs/dbraw/zinc/39/72/38/387397238.db2.gz UKTDDNOCLZUAMV-GFCCVEGCSA-N 0 0 209.720 3.941 20 0 BHADRN CC[C@H](Nc1ccccc1Cl)C1CC1 ZINC000083054244 491159469 /nfs/dbraw/zinc/15/94/69/491159469.db2.gz AGFVZALGGOLPTO-NSHDSACASA-N 0 0 209.720 3.941 20 0 BHADRN CC[C@@H](Nc1ccccc1Cl)C1CC1 ZINC000083054246 491159487 /nfs/dbraw/zinc/15/94/87/491159487.db2.gz AGFVZALGGOLPTO-LLVKDONJSA-N 0 0 209.720 3.941 20 0 BHADRN CC[C@H](Nc1cc(C)cc(C)c1)C1CC1 ZINC000083054293 491159517 /nfs/dbraw/zinc/15/95/17/491159517.db2.gz IURKAEOPOUJXST-AWEZNQCLSA-N 0 0 203.329 3.904 20 0 BHADRN CC[C@@H](Nc1cc(C)cc(C)c1)C1CC1 ZINC000083054296 491159506 /nfs/dbraw/zinc/15/95/06/491159506.db2.gz IURKAEOPOUJXST-CQSZACIVSA-N 0 0 203.329 3.904 20 0 BHADRN CC[C@H](Nc1cc(F)ccc1C)C1CC1 ZINC000083054298 387396944 /nfs/dbraw/zinc/39/69/44/387396944.db2.gz KPGVBCHEAFAAQW-LBPRGKRZSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@@H](Nc1cc(F)ccc1C)C1CC1 ZINC000083054300 387397737 /nfs/dbraw/zinc/39/77/37/387397737.db2.gz KPGVBCHEAFAAQW-GFCCVEGCSA-N 0 0 207.292 3.735 20 0 BHADRN CCc1ccc(N[C@@H](CC)C2CC2)cc1 ZINC000083054307 256749414 /nfs/dbraw/zinc/74/94/14/256749414.db2.gz BMVNBINUAIZZRN-AWEZNQCLSA-N 0 0 203.329 3.850 20 0 BHADRN CCc1ccc(N[C@H](CC)C2CC2)cc1 ZINC000083054310 256750167 /nfs/dbraw/zinc/75/01/67/256750167.db2.gz BMVNBINUAIZZRN-CQSZACIVSA-N 0 0 203.329 3.850 20 0 BHADRN CC[C@H](Nc1ccc(C)c(F)c1)C1CC1 ZINC000083054314 256749820 /nfs/dbraw/zinc/74/98/20/256749820.db2.gz HNRYIMAGYKIVPP-ZDUSSCGKSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@H](Nc1ccc(F)cc1C)C1CC1 ZINC000083054323 387397775 /nfs/dbraw/zinc/39/77/75/387397775.db2.gz YQLXCXYRLVIINB-LBPRGKRZSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@@H](Nc1ccc(F)cc1C)C1CC1 ZINC000083054324 388628787 /nfs/dbraw/zinc/62/87/87/388628787.db2.gz YQLXCXYRLVIINB-GFCCVEGCSA-N 0 0 207.292 3.735 20 0 BHADRN CCc1cccc(N[C@@H](CC)C2CC2)c1 ZINC000083054334 387396683 /nfs/dbraw/zinc/39/66/83/387396683.db2.gz LQWASVCBSPCNEQ-AWEZNQCLSA-N 0 0 203.329 3.850 20 0 BHADRN CCc1cccc(N[C@H](CC)C2CC2)c1 ZINC000083054339 387396773 /nfs/dbraw/zinc/39/67/73/387396773.db2.gz LQWASVCBSPCNEQ-CQSZACIVSA-N 0 0 203.329 3.850 20 0 BHADRN CC[C@H](Nc1cccc(C)c1C)C1CC1 ZINC000083054370 256750125 /nfs/dbraw/zinc/75/01/25/256750125.db2.gz CDUZXDDLVDQGNC-ZDUSSCGKSA-N 0 0 203.329 3.904 20 0 BHADRN CC[C@@H](Nc1cccc(C)c1C)C1CC1 ZINC000083054374 387396784 /nfs/dbraw/zinc/39/67/84/387396784.db2.gz CDUZXDDLVDQGNC-CYBMUJFWSA-N 0 0 203.329 3.904 20 0 BHADRN CC[C@H](Nc1cc(C)ccc1C)C1CC1 ZINC000083054385 387397597 /nfs/dbraw/zinc/39/75/97/387397597.db2.gz GCGUHFKXFDOIKS-ZDUSSCGKSA-N 0 0 203.329 3.904 20 0 BHADRN CC[C@@H](Nc1cc(C)ccc1C)C1CC1 ZINC000083054389 387397309 /nfs/dbraw/zinc/39/73/09/387397309.db2.gz GCGUHFKXFDOIKS-CYBMUJFWSA-N 0 0 203.329 3.904 20 0 BHADRN CC[C@H](Nc1ccc(C)cc1F)C1CC1 ZINC000083054743 387397395 /nfs/dbraw/zinc/39/73/95/387397395.db2.gz RHLLVMNSQJWOSS-LBPRGKRZSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@@H](Nc1ccc(C)cc1F)C1CC1 ZINC000083054744 387397762 /nfs/dbraw/zinc/39/77/62/387397762.db2.gz RHLLVMNSQJWOSS-GFCCVEGCSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@H](Nc1cc(C)ccc1F)C1CC1 ZINC000083054770 256750183 /nfs/dbraw/zinc/75/01/83/256750183.db2.gz YHESPZBBENBRRK-LBPRGKRZSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@@H](Nc1cc(C)ccc1F)C1CC1 ZINC000083054772 387397382 /nfs/dbraw/zinc/39/73/82/387397382.db2.gz YHESPZBBENBRRK-GFCCVEGCSA-N 0 0 207.292 3.735 20 0 BHADRN CCOc1cccc(N[C@@H](CC)C2CC2)c1 ZINC000083055644 384741339 /nfs/dbraw/zinc/74/13/39/384741339.db2.gz HULDSRQLBJEGHA-AWEZNQCLSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cccc(N[C@H](CC)C2CC2)c1 ZINC000083055646 384740452 /nfs/dbraw/zinc/74/04/52/384740452.db2.gz HULDSRQLBJEGHA-CQSZACIVSA-N 0 0 219.328 3.686 20 0 BHADRN CC[C@H](Nc1ccc(C)cc1OC)C1CC1 ZINC000083055656 384741744 /nfs/dbraw/zinc/74/17/44/384741744.db2.gz KHEISYGVNWJZBA-LBPRGKRZSA-N 0 0 219.328 3.604 20 0 BHADRN CC[C@@H](Nc1ccc(C)cc1OC)C1CC1 ZINC000083055657 384741020 /nfs/dbraw/zinc/74/10/20/384741020.db2.gz KHEISYGVNWJZBA-GFCCVEGCSA-N 0 0 219.328 3.604 20 0 BHADRN CC[C@H](Nc1cc(OC)ccc1Cl)C1CC1 ZINC000083056046 387397068 /nfs/dbraw/zinc/39/70/68/387397068.db2.gz FWPAEIFITZEKHL-LBPRGKRZSA-N 0 0 239.746 3.949 20 0 BHADRN CC[C@@H](Nc1cc(OC)ccc1Cl)C1CC1 ZINC000083056051 256750676 /nfs/dbraw/zinc/75/06/76/256750676.db2.gz FWPAEIFITZEKHL-GFCCVEGCSA-N 0 0 239.746 3.949 20 0 BHADRN CC[C@H](Nc1cccc(F)c1C)C1CC1 ZINC000083056053 384740585 /nfs/dbraw/zinc/74/05/85/384740585.db2.gz RHTYTNXMQXSEQT-LBPRGKRZSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@@H](Nc1cccc(F)c1C)C1CC1 ZINC000083056055 387396860 /nfs/dbraw/zinc/39/68/60/387396860.db2.gz RHTYTNXMQXSEQT-GFCCVEGCSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@H](Nc1ccc(F)c(C)c1)C1CC1 ZINC000083056456 384279187 /nfs/dbraw/zinc/27/91/87/384279187.db2.gz KDAJYOWXJSBDKU-ZDUSSCGKSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@@H](Nc1ccc(F)c(C)c1)C1CC1 ZINC000083056457 387396694 /nfs/dbraw/zinc/39/66/94/387396694.db2.gz KDAJYOWXJSBDKU-CYBMUJFWSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@H](Nc1ccc(OC)cc1C)C1CC1 ZINC000083056480 644398623 /nfs/dbraw/zinc/39/86/23/644398623.db2.gz ZGCVUAZAYQYFOB-ZDUSSCGKSA-N 0 0 219.328 3.604 20 0 BHADRN CC[C@@H](Nc1ccc(OC)cc1C)C1CC1 ZINC000083056481 644397158 /nfs/dbraw/zinc/39/71/58/644397158.db2.gz ZGCVUAZAYQYFOB-CYBMUJFWSA-N 0 0 219.328 3.604 20 0 BHADRN CS/C=C/C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000083064620 643295485 /nfs/dbraw/zinc/29/54/85/643295485.db2.gz WZFCYXXONVCGHI-MDZDMXLPSA-N 0 0 249.379 3.799 20 0 BHADRN CS/C=C/C(=O)Nc1cccc2ccccc21 ZINC000083066118 644400518 /nfs/dbraw/zinc/40/05/18/644400518.db2.gz XTHNOMPRLJUXMH-MDZDMXLPSA-N 0 0 243.331 3.655 20 0 BHADRN CS/C=C/C(=O)Nc1ccccc1C(C)C ZINC000083066789 643294843 /nfs/dbraw/zinc/29/48/43/643294843.db2.gz WSFGFVRMULMXTM-CMDGGOBGSA-N 0 0 235.352 3.625 20 0 BHADRN CS/C=C/C(=O)N(C)c1cccc(C(C)C)c1 ZINC000083068680 643407223 /nfs/dbraw/zinc/40/72/23/643407223.db2.gz UDFOZMUQQZUCNT-CMDGGOBGSA-N 0 0 249.379 3.650 20 0 BHADRN CCCCCCOc1cccnc1Cl ZINC000083119353 643528006 /nfs/dbraw/zinc/52/80/06/643528006.db2.gz FNFZPQRKBLZUGK-UHFFFAOYSA-N 0 0 213.708 3.694 20 0 BHADRN CCCC1CCC(Nc2nnc(C)s2)CC1 ZINC000083119518 133518049 /nfs/dbraw/zinc/51/80/49/133518049.db2.gz CCJNSBXSZKUHTK-UHFFFAOYSA-N 0 0 239.388 3.617 20 0 BHADRN CC[C@H](Nc1nnc(C)s1)C1CCCCC1 ZINC000083119580 342967932 /nfs/dbraw/zinc/96/79/32/342967932.db2.gz QYRXERLVYKSGCG-NSHDSACASA-N 0 0 239.388 3.617 20 0 BHADRN CC[C@@H](Nc1nnc(C)s1)C1CCCCC1 ZINC000083119581 342968060 /nfs/dbraw/zinc/96/80/60/342968060.db2.gz QYRXERLVYKSGCG-LLVKDONJSA-N 0 0 239.388 3.617 20 0 BHADRN Cc1cccc(N[C@@H](C)c2nccs2)c1 ZINC000083142186 179153874 /nfs/dbraw/zinc/15/38/74/179153874.db2.gz BCVRLYHCDOELQN-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1cccc(N[C@H](C)c2nccs2)c1 ZINC000083142187 179157067 /nfs/dbraw/zinc/15/70/67/179157067.db2.gz BCVRLYHCDOELQN-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccc(N[C@@H](C)c2nccs2)c(C)c1 ZINC000083142191 178771043 /nfs/dbraw/zinc/77/10/43/178771043.db2.gz KPISDVFSPDYRMH-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(N[C@H](C)c2nccs2)c(C)c1 ZINC000083142192 384745564 /nfs/dbraw/zinc/74/55/64/384745564.db2.gz KPISDVFSPDYRMH-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN C[C@H](Nc1ccc(F)c(F)c1)c1nccs1 ZINC000083142266 349579379 /nfs/dbraw/zinc/57/93/79/349579379.db2.gz BUFVNRFKALSRFZ-ZETCQYMHSA-N 0 0 240.278 3.594 20 0 BHADRN C[C@@H](Nc1ccc(F)c(F)c1)c1nccs1 ZINC000083142267 133518400 /nfs/dbraw/zinc/51/84/00/133518400.db2.gz BUFVNRFKALSRFZ-SSDOTTSWSA-N 0 0 240.278 3.594 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)c1nccs1 ZINC000083142277 384746277 /nfs/dbraw/zinc/74/62/77/384746277.db2.gz GLQGJNJEKCQHEI-QMMMGPOBSA-N 0 0 238.743 3.970 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)c1nccs1 ZINC000083142278 384746404 /nfs/dbraw/zinc/74/64/04/384746404.db2.gz GLQGJNJEKCQHEI-MRVPVSSYSA-N 0 0 238.743 3.970 20 0 BHADRN C[C@H](Nc1ccc(Cl)cc1)c1nccs1 ZINC000083142283 384744374 /nfs/dbraw/zinc/74/43/74/384744374.db2.gz SWXMKNNSWRAHLV-QMMMGPOBSA-N 0 0 238.743 3.970 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)c1nccs1 ZINC000083142285 384744501 /nfs/dbraw/zinc/74/45/01/384744501.db2.gz SWXMKNNSWRAHLV-MRVPVSSYSA-N 0 0 238.743 3.970 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)c1nccs1 ZINC000083142318 384745431 /nfs/dbraw/zinc/74/54/31/384745431.db2.gz LDBOKHXQHWFQOI-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)c1nccs1 ZINC000083142321 384743680 /nfs/dbraw/zinc/74/36/80/384743680.db2.gz LDBOKHXQHWFQOI-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN CCc1ccc(N[C@@H](C)c2nccs2)cc1 ZINC000083142323 349579451 /nfs/dbraw/zinc/57/94/51/349579451.db2.gz RQDFFLSRODLVDT-JTQLQIEISA-N 0 0 232.352 3.879 20 0 BHADRN CCc1ccc(N[C@H](C)c2nccs2)cc1 ZINC000083142325 349579149 /nfs/dbraw/zinc/57/91/49/349579149.db2.gz RQDFFLSRODLVDT-SNVBAGLBSA-N 0 0 232.352 3.879 20 0 BHADRN Cc1ccc(N[C@@H](C)c2nccs2)cc1F ZINC000083142327 349579373 /nfs/dbraw/zinc/57/93/73/349579373.db2.gz YDCYJOASRTZROX-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(N[C@H](C)c2nccs2)cc1F ZINC000083142330 133518502 /nfs/dbraw/zinc/51/85/02/133518502.db2.gz YDCYJOASRTZROX-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN CCc1ccccc1N[C@@H](C)c1nccs1 ZINC000083142331 384745101 /nfs/dbraw/zinc/74/51/01/384745101.db2.gz WKMMBVYMIAMUBN-JTQLQIEISA-N 0 0 232.352 3.879 20 0 BHADRN CCc1ccccc1N[C@H](C)c1nccs1 ZINC000083142332 171889128 /nfs/dbraw/zinc/88/91/28/171889128.db2.gz WKMMBVYMIAMUBN-SNVBAGLBSA-N 0 0 232.352 3.879 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)c1nccs1 ZINC000083142342 178091300 /nfs/dbraw/zinc/09/13/00/178091300.db2.gz GOAMCRAGJHDHLT-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)c1nccs1 ZINC000083142343 178090473 /nfs/dbraw/zinc/09/04/73/178090473.db2.gz GOAMCRAGJHDHLT-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN CCc1cccc(N[C@@H](C)c2nccs2)c1 ZINC000083142349 171863248 /nfs/dbraw/zinc/86/32/48/171863248.db2.gz MPOGVYYDHVRLKC-JTQLQIEISA-N 0 0 232.352 3.879 20 0 BHADRN CCc1cccc(N[C@H](C)c2nccs2)c1 ZINC000083142350 384745537 /nfs/dbraw/zinc/74/55/37/384745537.db2.gz MPOGVYYDHVRLKC-SNVBAGLBSA-N 0 0 232.352 3.879 20 0 BHADRN Cc1cccc(N[C@@H](C)c2nccs2)c1C ZINC000083142363 179152751 /nfs/dbraw/zinc/15/27/51/179152751.db2.gz JMVRTUQJEPRNBI-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cccc(N[C@H](C)c2nccs2)c1C ZINC000083142366 179157200 /nfs/dbraw/zinc/15/72/00/179157200.db2.gz JMVRTUQJEPRNBI-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(N[C@@H](C)c2nccs2)cc1 ZINC000083142367 384283630 /nfs/dbraw/zinc/28/36/30/384283630.db2.gz NHDTWDOKUALMKH-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccc(N[C@H](C)c2nccs2)cc1 ZINC000083142370 384285009 /nfs/dbraw/zinc/28/50/09/384285009.db2.gz NHDTWDOKUALMKH-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)c2nccs2)c1 ZINC000083142371 384745747 /nfs/dbraw/zinc/74/57/47/384745747.db2.gz CNGNKCYODQZVIT-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)c2nccs2)c1 ZINC000083142373 384745066 /nfs/dbraw/zinc/74/50/66/384745066.db2.gz CNGNKCYODQZVIT-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(N[C@@H](C)c2nccs2)c(F)c1 ZINC000083142576 384745682 /nfs/dbraw/zinc/74/56/82/384745682.db2.gz KDMHPHAJDZFZSX-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(N[C@H](C)c2nccs2)c(F)c1 ZINC000083142578 384743598 /nfs/dbraw/zinc/74/35/98/384743598.db2.gz KDMHPHAJDZFZSX-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)c2nccs2)c1 ZINC000083142589 384744094 /nfs/dbraw/zinc/74/40/94/384744094.db2.gz ANDYYNMAJXRIDM-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)c2nccs2)c1 ZINC000083142591 384743905 /nfs/dbraw/zinc/74/39/05/384743905.db2.gz ANDYYNMAJXRIDM-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)c1nccs1 ZINC000083143182 384745652 /nfs/dbraw/zinc/74/56/52/384745652.db2.gz ZNMFAFDAFOXYLQ-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)c1nccs1 ZINC000083143184 384746479 /nfs/dbraw/zinc/74/64/79/384746479.db2.gz ZNMFAFDAFOXYLQ-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(N[C@@H](C)c2nccs2)ccc1F ZINC000083143337 178180034 /nfs/dbraw/zinc/18/00/34/178180034.db2.gz FLHQHTSYMHZDLM-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(N[C@H](C)c2nccs2)ccc1F ZINC000083143340 178187055 /nfs/dbraw/zinc/18/70/55/178187055.db2.gz FLHQHTSYMHZDLM-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN CCOc1cc(Cl)c(Cl)cc1C(C)=O ZINC000083178945 170523232 /nfs/dbraw/zinc/52/32/32/170523232.db2.gz FGAQHYSQUZSBQC-UHFFFAOYSA-N 0 0 233.094 3.595 20 0 BHADRN CCCOc1cc(Cl)c(Cl)cc1C(C)=O ZINC000083178982 169315773 /nfs/dbraw/zinc/31/57/73/169315773.db2.gz WYEKQCUTSODIRE-UHFFFAOYSA-N 0 0 247.121 3.985 20 0 BHADRN CC(C)OC(=O)c1cc2cc(Cl)ccc2o1 ZINC000083191959 343401377 /nfs/dbraw/zinc/40/13/77/343401377.db2.gz ZJWOWZYNQZLJBZ-UHFFFAOYSA-N 0 0 238.670 3.651 20 0 BHADRN CC(C)OC(=O)c1ccc(OC2CCCC2)cc1 ZINC000083230340 343519207 /nfs/dbraw/zinc/51/92/07/343519207.db2.gz JDSPKBGCOWHXSD-UHFFFAOYSA-N 0 0 248.322 3.573 20 0 BHADRN CSc1ccc(-c2csc(C(C)=O)n2)cc1 ZINC000083265208 191007470 /nfs/dbraw/zinc/00/74/70/191007470.db2.gz UUKVEYUFNURJTD-UHFFFAOYSA-N 0 0 249.360 3.735 20 0 BHADRN COc1cccc(NC/C=C\c2ccccc2)c1 ZINC000083296075 175277890 /nfs/dbraw/zinc/27/78/90/175277890.db2.gz LWLWLTGJUXMEHE-TWGQIWQCSA-N 0 0 239.318 3.821 20 0 BHADRN CC(C)CNc1c(F)cccc1Cl ZINC000083343693 167015633 /nfs/dbraw/zinc/01/56/33/167015633.db2.gz PMPGFIPSZFRPFD-UHFFFAOYSA-N 0 0 201.672 3.547 20 0 BHADRN CC(C)CNc1cc(F)ccc1Cl ZINC000083343694 167015734 /nfs/dbraw/zinc/01/57/34/167015734.db2.gz KVLUGCRCGAVSAT-UHFFFAOYSA-N 0 0 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236.315 3.511 20 0 BHADRN Cc1cnc(NCc2ccc(F)c(C)c2)s1 ZINC000083363365 179636722 /nfs/dbraw/zinc/63/67/22/179636722.db2.gz BWTLJQCSQZSHEO-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Cc1cnc(NCc2cc(F)ccc2C)s1 ZINC000083363366 384764713 /nfs/dbraw/zinc/76/47/13/384764713.db2.gz JSJYJBPOKVKSSV-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Cc1cnc(NCc2ccc(F)cc2C)s1 ZINC000083363367 387404603 /nfs/dbraw/zinc/40/46/03/387404603.db2.gz WMQCFLDZXDWGFM-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Cc1cnc(NCc2cccc(C)c2F)s1 ZINC000083363368 387404681 /nfs/dbraw/zinc/40/46/81/387404681.db2.gz FBHXCHRTVBWVDQ-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Fc1cc(F)cc(CNc2ccccc2F)c1 ZINC000083364411 180953097 /nfs/dbraw/zinc/95/30/97/180953097.db2.gz OKBIUZCZOALETR-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Fc1ccc(NCc2cc(F)cc(F)c2)cc1 ZINC000083364412 180977723 /nfs/dbraw/zinc/97/77/23/180977723.db2.gz LZZISKJDGQJITM-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Fc1cc(F)c(CNc2ccccc2)cc1F ZINC000083364413 180950460 /nfs/dbraw/zinc/95/04/60/180950460.db2.gz IMSDCLJCIPHXMO-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN Fc1cccc(NCc2cc(F)cc(F)c2)c1 ZINC000083364416 180952916 /nfs/dbraw/zinc/95/29/16/180952916.db2.gz XQTYHCKYWQPFJJ-UHFFFAOYSA-N 0 0 237.224 3.716 20 0 BHADRN COc1cc(NCc2cccs2)ccc1F ZINC000083364716 175003132 /nfs/dbraw/zinc/00/31/32/175003132.db2.gz VKWHMKBECDZZTA-UHFFFAOYSA-N 0 0 237.299 3.508 20 0 BHADRN COc1cc(NCC2CCCCC2)ccc1F ZINC000083364984 175001910 /nfs/dbraw/zinc/00/19/10/175001910.db2.gz SDJLHTFUGGXRFB-UHFFFAOYSA-N 0 0 237.318 3.827 20 0 BHADRN COc1cc(NCc2ccco2)ccc1Cl ZINC000083365307 175003693 /nfs/dbraw/zinc/00/36/93/175003693.db2.gz CANJZIWXYZKQNI-UHFFFAOYSA-N 0 0 237.686 3.554 20 0 BHADRN Cc1cc(NCc2cccc3ccccc32)no1 ZINC000083366019 178172639 /nfs/dbraw/zinc/17/26/39/178172639.db2.gz REYSDLMOAFEFPY-UHFFFAOYSA-N 0 0 238.290 3.748 20 0 BHADRN Cc1cc(NCc2ccc3ccccc3c2)no1 ZINC000083366020 178172702 /nfs/dbraw/zinc/17/27/02/178172702.db2.gz VEGRKXQQCZJEFW-UHFFFAOYSA-N 0 0 238.290 3.748 20 0 BHADRN Cc1cnc(NCc2cccc(Cl)c2)s1 ZINC000083366530 179637987 /nfs/dbraw/zinc/63/79/87/179637987.db2.gz XQFPZTRQRONGDS-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1cnc(NCc2ccc(Cl)cc2)s1 ZINC000083366531 350168285 /nfs/dbraw/zinc/16/82/85/350168285.db2.gz BQAJGAARMZHURE-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1cnc(NCc2ccccc2Cl)s1 ZINC000083366532 384293365 /nfs/dbraw/zinc/29/33/65/384293365.db2.gz XIZUHFVLPDLMON-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1ccc(NCc2ccc(Cl)s2)cn1 ZINC000083366536 387404786 /nfs/dbraw/zinc/40/47/86/387404786.db2.gz VRXRITJDAWZZRT-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1nc(Cl)ccc1NCc1cccs1 ZINC000083366538 643441573 /nfs/dbraw/zinc/44/15/73/643441573.db2.gz MPXYVNOGZDDFLA-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1cc(NCc2cccs2)cnc1Cl ZINC000083366540 178174699 /nfs/dbraw/zinc/17/46/99/178174699.db2.gz RVCFNFGKSZHODE-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CC(=O)c1cccc(NCc2cccc(C)c2)c1 ZINC000083367203 166477233 /nfs/dbraw/zinc/47/72/33/166477233.db2.gz BEVWDNRWZCTJRJ-UHFFFAOYSA-N 0 0 239.318 3.810 20 0 BHADRN CC(=O)c1ccccc1NCCc1ccccc1 ZINC000083367205 643442141 /nfs/dbraw/zinc/44/21/41/643442141.db2.gz LTCKJTDBRMAGMK-UHFFFAOYSA-N 0 0 239.318 3.544 20 0 BHADRN CC(=O)c1ccccc1NCc1ccccc1C ZINC000083367206 631423014 /nfs/dbraw/zinc/42/30/14/631423014.db2.gz TUXRYUGOFLNETO-UHFFFAOYSA-N 0 0 239.318 3.810 20 0 BHADRN Fc1ccccc1NCc1cccc2cc[nH]c21 ZINC000083368215 181013930 /nfs/dbraw/zinc/01/39/30/181013930.db2.gz VMJXGQLGGOJPHF-UHFFFAOYSA-N 0 0 240.281 3.919 20 0 BHADRN Fc1ccc(NCc2cccc3cc[nH]c32)cc1 ZINC000083368222 387405402 /nfs/dbraw/zinc/40/54/02/387405402.db2.gz ILWAOZGAYMHHHF-UHFFFAOYSA-N 0 0 240.281 3.919 20 0 BHADRN Fc1cccc(NCc2cccc3cc[nH]c32)c1 ZINC000083368224 181001771 /nfs/dbraw/zinc/00/17/71/181001771.db2.gz PAZVOIWDZOWWSR-UHFFFAOYSA-N 0 0 240.281 3.919 20 0 BHADRN c1csc(NCc2ccc3ccccc3c2)n1 ZINC000083368553 631423654 /nfs/dbraw/zinc/42/36/54/631423654.db2.gz ZRXNRXVITXDBDC-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN CCCc1ccc(CNc2ccc(C)cn2)cc1 ZINC000083368627 643441130 /nfs/dbraw/zinc/44/11/30/643441130.db2.gz HZMIPHPHIYPWEG-UHFFFAOYSA-N 0 0 240.350 3.955 20 0 BHADRN COc1cccc(C)c1NCCc1ccccc1 ZINC000083369515 175248393 /nfs/dbraw/zinc/24/83/93/175248393.db2.gz KOXUDQNYJIOGCH-UHFFFAOYSA-N 0 0 241.334 3.658 20 0 BHADRN COc1cccc(C)c1NCc1ccccc1C ZINC000083369516 175248230 /nfs/dbraw/zinc/24/82/30/175248230.db2.gz SOJZMGKXHNTLAJ-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1cccc(C)c1NCc1cccc(C)c1 ZINC000083369517 175248560 /nfs/dbraw/zinc/24/85/60/175248560.db2.gz ZEYHCSOWHQGHEG-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1cccc(NCc2c(C)cccc2C)c1 ZINC000083369561 175278979 /nfs/dbraw/zinc/27/89/79/175278979.db2.gz SPIPSGGWNVJMKC-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccccc1NCc1c(C)cccc1C ZINC000083369562 175338134 /nfs/dbraw/zinc/33/81/34/175338134.db2.gz ZCWUIFFJFIPQAS-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1ccc(NCc2c(C)cccc2C)cc1 ZINC000083369578 175151696 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3.594 20 0 BHADRN Clc1cccc(CNc2ccon2)c1Cl ZINC000083371099 387404516 /nfs/dbraw/zinc/40/45/16/387404516.db2.gz JXHWZDYIUATTOC-UHFFFAOYSA-N 0 0 243.093 3.594 20 0 BHADRN Clc1cc(Cl)cc(CNc2ccon2)c1 ZINC000083371100 180575700 /nfs/dbraw/zinc/57/57/00/180575700.db2.gz SAKHWFDVQYYRIX-UHFFFAOYSA-N 0 0 243.093 3.594 20 0 BHADRN Clc1ccc(Cl)c(CNc2ccon2)c1 ZINC000083371101 384292513 /nfs/dbraw/zinc/29/25/13/384292513.db2.gz LZYFOFURZUWUSQ-UHFFFAOYSA-N 0 0 243.093 3.594 20 0 BHADRN CC(=O)c1ccccc1NCc1cccc(F)c1 ZINC000083371427 631423943 /nfs/dbraw/zinc/42/39/43/631423943.db2.gz SLQGKFGYHZMGSQ-UHFFFAOYSA-N 0 0 243.281 3.640 20 0 BHADRN Cc1cnc(NCc2cccc3cc[nH]c32)s1 ZINC000083371941 388048736 /nfs/dbraw/zinc/04/87/36/388048736.db2.gz DIHVVDVXHGCTED-UHFFFAOYSA-N 0 0 243.335 3.545 20 0 BHADRN CCCc1ccc(CNc2ccc(F)cn2)cc1 ZINC000083372868 491161380 /nfs/dbraw/zinc/16/13/80/491161380.db2.gz YNGKBPCRZHMCKI-UHFFFAOYSA-N 0 0 244.313 3.785 20 0 BHADRN Cc1cc(NCc2csc3ccccc23)no1 ZINC000083372936 178176606 /nfs/dbraw/zinc/17/66/06/178176606.db2.gz DNGMEOKJMJFRJJ-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN Cc1cc(NCc2ccc(C(C)(C)C)cc2)no1 ZINC000083373016 178171638 /nfs/dbraw/zinc/17/16/38/178171638.db2.gz RYVJERJJIFTALP-UHFFFAOYSA-N 0 0 244.338 3.893 20 0 BHADRN CSc1ccc(CNc2ccc(C)nc2)cc1 ZINC000083373060 188141344 /nfs/dbraw/zinc/14/13/44/188141344.db2.gz IBWLVALDSCFGIV-UHFFFAOYSA-N 0 0 244.363 3.724 20 0 BHADRN CSc1ccc(CNc2ncccc2C)cc1 ZINC000083373064 259338435 /nfs/dbraw/zinc/33/84/35/259338435.db2.gz XYAWEMUQFBVQIM-UHFFFAOYSA-N 0 0 244.363 3.724 20 0 BHADRN Clc1cccnc1NC/C=C/c1ccccc1 ZINC000083373274 387407637 /nfs/dbraw/zinc/40/76/37/387407637.db2.gz QHXQTBUMIAAYFD-XBXARRHUSA-N 0 0 244.725 3.860 20 0 BHADRN Clc1ccc(NC/C=C/c2ccccc2)nc1 ZINC000083373276 387406740 /nfs/dbraw/zinc/40/67/40/387406740.db2.gz TYEIDJZRAXUGTP-QPJJXVBHSA-N 0 0 244.725 3.860 20 0 BHADRN Cc1cnc(NCc2ccc(Cl)s2)s1 ZINC000083373290 179636814 /nfs/dbraw/zinc/63/68/14/179636814.db2.gz VLCRVPKESIQCEC-UHFFFAOYSA-N 0 0 244.772 3.779 20 0 BHADRN COc1cccc(C)c1NCc1ccc(F)cc1 ZINC000083373953 175248395 /nfs/dbraw/zinc/24/83/95/175248395.db2.gz IATUTGSPGINMDU-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cccc(C)c1NCc1ccccc1F ZINC000083373954 175248343 /nfs/dbraw/zinc/24/83/43/175248343.db2.gz OKBGUCQKTLZMOU-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cccc(C)c1NCc1cccc(F)c1 ZINC000083373955 175248436 /nfs/dbraw/zinc/24/84/36/175248436.db2.gz HFLGGTBSZCZTGN-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cccc(NCc2ccc(C)c(F)c2)c1 ZINC000083373998 175278729 /nfs/dbraw/zinc/27/87/29/175278729.db2.gz PWHXRYPRRAXGSK-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cccc(NCc2cc(F)ccc2C)c1 ZINC000083373999 175279507 /nfs/dbraw/zinc/27/95/07/175279507.db2.gz FIRTXNXCOVVUQU-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccccc1NCc1ccc(C)c(F)c1 ZINC000083374001 175337978 /nfs/dbraw/zinc/33/79/78/175337978.db2.gz FCNIDLMREPDJPX-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccccc1NCc1cc(F)ccc1C ZINC000083374002 175337423 /nfs/dbraw/zinc/33/74/23/175337423.db2.gz HSAPLBCIMFHQOF-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(NCc2ccc(C)c(F)c2)cc1 ZINC000083374025 175151445 /nfs/dbraw/zinc/15/14/45/175151445.db2.gz QEFSHHSPNQSIPO-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cc(NCc2ccc(C)cc2)ccc1F ZINC000083374071 175003790 /nfs/dbraw/zinc/00/37/90/175003790.db2.gz VWRBKSYFYSBEKL-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cc(NCc2ccccc2C)ccc1F ZINC000083374073 175003650 /nfs/dbraw/zinc/00/36/50/175003650.db2.gz IHOACFCJPJSVHV-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cc(NCc2cccc(C)c2)ccc1F ZINC000083374074 175003632 /nfs/dbraw/zinc/00/36/32/175003632.db2.gz JPEDUQCSCUOIMD-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN CC(C)(C)CCNc1ccc(C(F)(F)F)cn1 ZINC000083375062 166572648 /nfs/dbraw/zinc/57/26/48/166572648.db2.gz NXRSCTCXUXZSQC-UHFFFAOYSA-N 0 0 246.276 3.949 20 0 BHADRN CCC(CC)CNc1ccc(C(F)(F)F)cn1 ZINC000083375063 168364297 /nfs/dbraw/zinc/36/42/97/168364297.db2.gz 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Cc1ccc(C)c(CNc2cccc(Cl)n2)c1 ZINC000083376081 631424884 /nfs/dbraw/zinc/42/48/84/631424884.db2.gz BPAXFSWCJJQYQA-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1cc(C)cc(CNc2cccc(Cl)n2)c1 ZINC000083376082 177902050 /nfs/dbraw/zinc/90/20/50/177902050.db2.gz UGWNFLYONNHXFM-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1cccc(C)c1CNc1cccc(Cl)n1 ZINC000083376083 179038374 /nfs/dbraw/zinc/03/83/74/179038374.db2.gz CBSGUXRMRKDJTQ-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1ccc(CNc2ccc(Cl)nc2C)cc1 ZINC000083376102 636872017 /nfs/dbraw/zinc/87/20/17/636872017.db2.gz LWKBPEVEFJMSSN-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1ccccc1CNc1ccc(Cl)nc1C ZINC000083376104 179286248 /nfs/dbraw/zinc/28/62/48/179286248.db2.gz DRSJQQUFJOAPNC-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1cccc(CNc2ccc(Cl)nc2C)c1 ZINC000083376105 631425105 /nfs/dbraw/zinc/42/51/05/631425105.db2.gz MYOUULKSFFEVRA-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN CCc1ccc(CNc2ncccc2Cl)cc1 ZINC000083376106 384768018 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133528691 /nfs/dbraw/zinc/52/86/91/133528691.db2.gz ITHRZVPUFDZPGS-UHFFFAOYSA-N 0 0 227.377 3.510 20 0 BHADRN CC(C)(C)c1nsc(NC2(C)CCCC2)n1 ZINC000083654159 259338628 /nfs/dbraw/zinc/33/86/28/259338628.db2.gz QUJYSAWMVYDJSB-UHFFFAOYSA-N 0 0 239.388 3.580 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1nc(C(C)(C)C)ns1 ZINC000083654241 350273458 /nfs/dbraw/zinc/27/34/58/350273458.db2.gz PBHXNSMPVHDGNL-RKDXNWHRSA-N 0 0 241.404 3.682 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1nc(C(C)(C)C)ns1 ZINC000083654242 133528698 /nfs/dbraw/zinc/52/86/98/133528698.db2.gz PBHXNSMPVHDGNL-DTWKUNHWSA-N 0 0 241.404 3.682 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1nc(C(C)(C)C)ns1 ZINC000083654245 133528694 /nfs/dbraw/zinc/52/86/94/133528694.db2.gz PBHXNSMPVHDGNL-BDAKNGLRSA-N 0 0 241.404 3.682 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1nc(C(C)(C)C)ns1 ZINC000083654248 535943844 /nfs/dbraw/zinc/94/38/44/535943844.db2.gz PBHXNSMPVHDGNL-IUCAKERBSA-N 0 0 241.404 3.682 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1nc(C(C)C)ns1 ZINC000083654259 535647487 /nfs/dbraw/zinc/64/74/87/535647487.db2.gz NCAQEWBIACSUBS-RKDXNWHRSA-N 0 0 227.377 3.508 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1nc(C(C)C)ns1 ZINC000083654263 343494360 /nfs/dbraw/zinc/49/43/60/343494360.db2.gz NCAQEWBIACSUBS-DTWKUNHWSA-N 0 0 227.377 3.508 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1nc(C(C)C)ns1 ZINC000083654265 343494483 /nfs/dbraw/zinc/49/44/83/343494483.db2.gz NCAQEWBIACSUBS-BDAKNGLRSA-N 0 0 227.377 3.508 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1nc(C(C)C)ns1 ZINC000083654268 535943608 /nfs/dbraw/zinc/94/36/08/535943608.db2.gz NCAQEWBIACSUBS-IUCAKERBSA-N 0 0 227.377 3.508 20 0 BHADRN CCCCC[C@@H](C)Nc1nc(C2CC2)ns1 ZINC000083654341 388057692 /nfs/dbraw/zinc/05/76/92/388057692.db2.gz KSIYRQLMGVTIPW-SECBINFHSA-N 0 0 239.388 3.796 20 0 BHADRN CCCCC[C@H](C)Nc1nc(C2CC2)ns1 ZINC000083654345 388057862 /nfs/dbraw/zinc/05/78/62/388057862.db2.gz KSIYRQLMGVTIPW-VIFPVBQESA-N 0 0 239.388 3.796 20 0 BHADRN CC[C@H](Nc1nc(C(C)(C)C)ns1)C(C)C ZINC000083654418 259338566 /nfs/dbraw/zinc/33/85/66/259338566.db2.gz BCARFHUPXLUKSS-VIFPVBQESA-N 0 0 241.404 3.682 20 0 BHADRN CC[C@@H](Nc1nc(C(C)(C)C)ns1)C(C)C ZINC000083654421 384786154 /nfs/dbraw/zinc/78/61/54/384786154.db2.gz BCARFHUPXLUKSS-SECBINFHSA-N 0 0 241.404 3.682 20 0 BHADRN CC(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000083662260 384788634 /nfs/dbraw/zinc/78/86/34/384788634.db2.gz XKRCBRAANCWMFL-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)(C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000083662261 256562706 /nfs/dbraw/zinc/56/27/06/256562706.db2.gz XKRCBRAANCWMFL-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccco2)CC1 ZINC000083662276 188316471 /nfs/dbraw/zinc/31/64/71/188316471.db2.gz NJIHBPIISYTLFW-GFCCVEGCSA-N 0 0 249.354 3.568 20 0 BHADRN CC(C)(C)[C@H]1CCCN(C(=O)c2ccco2)CC1 ZINC000083662277 384790105 /nfs/dbraw/zinc/79/01/05/384790105.db2.gz NJIHBPIISYTLFW-LBPRGKRZSA-N 0 0 249.354 3.568 20 0 BHADRN CCC[C@@H](CC)Nc1nc(C(C)C)ns1 ZINC000083668345 325573402 /nfs/dbraw/zinc/57/34/02/325573402.db2.gz ACJLGTTXANLHQA-SECBINFHSA-N 0 0 227.377 3.652 20 0 BHADRN CCC[C@H](CC)Nc1nc(C(C)C)ns1 ZINC000083668347 388644915 /nfs/dbraw/zinc/64/49/15/388644915.db2.gz ACJLGTTXANLHQA-VIFPVBQESA-N 0 0 227.377 3.652 20 0 BHADRN CC(C)c1nsc(NCC2(C)CCCC2)n1 ZINC000083668947 388059312 /nfs/dbraw/zinc/05/93/12/388059312.db2.gz KULZTOPZDCMWGI-UHFFFAOYSA-N 0 0 239.388 3.654 20 0 BHADRN CC(C)CC[C@@H](C)Nc1nc(C2CC2)ns1 ZINC000083669019 388059014 /nfs/dbraw/zinc/05/90/14/388059014.db2.gz WVJPAZZFJPRBII-SECBINFHSA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)CC[C@H](C)Nc1nc(C2CC2)ns1 ZINC000083669021 388059357 /nfs/dbraw/zinc/05/93/57/388059357.db2.gz WVJPAZZFJPRBII-VIFPVBQESA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)c1nsc(N[C@H](C)C2CCCC2)n1 ZINC000083669150 491162497 /nfs/dbraw/zinc/16/24/97/491162497.db2.gz AMHCYSSILKYXRX-SECBINFHSA-N 0 0 239.388 3.652 20 0 BHADRN CCCCCCNc1nc(C(C)C)ns1 ZINC000083669165 534997167 /nfs/dbraw/zinc/99/71/67/534997167.db2.gz STQCMAWMPXGNSR-UHFFFAOYSA-N 0 0 227.377 3.654 20 0 BHADRN CC1(C)CCCN(c2cccc(Cl)n2)CC1 ZINC000083681115 643609437 /nfs/dbraw/zinc/60/94/37/643609437.db2.gz ZWUITGWDDWWQPR-UHFFFAOYSA-N 0 0 238.762 3.752 20 0 BHADRN Cc1ccc(C)c(OCc2ccn(C(C)C)n2)c1 ZINC000083683019 387422942 /nfs/dbraw/zinc/42/29/42/387422942.db2.gz ONWARYITYRXMMY-UHFFFAOYSA-N 0 0 244.338 3.660 20 0 BHADRN Cc1cc(C)cc(OCc2ccn(C(C)C)n2)c1 ZINC000083683021 387423559 /nfs/dbraw/zinc/42/35/59/387423559.db2.gz ZCJVMSPTDQMILT-UHFFFAOYSA-N 0 0 244.338 3.660 20 0 BHADRN CCc1ccc(OCc2ccn(C(C)C)n2)cc1 ZINC000083683190 387423416 /nfs/dbraw/zinc/42/34/16/387423416.db2.gz FIZQYLDBILCOKD-UHFFFAOYSA-N 0 0 244.338 3.605 20 0 BHADRN CCc1cccc(OCc2ccn(C(C)C)n2)c1 ZINC000083683192 387422502 /nfs/dbraw/zinc/42/25/02/387422502.db2.gz QXNVSGWKSNFLLH-UHFFFAOYSA-N 0 0 244.338 3.605 20 0 BHADRN Cc1ccc(OCc2ccn(C(C)C)n2)c(C)c1 ZINC000083683209 387422513 /nfs/dbraw/zinc/42/25/13/387422513.db2.gz WEQUBSBLRIMGJO-UHFFFAOYSA-N 0 0 244.338 3.660 20 0 BHADRN Cc1csc(CNc2ccc3c(c2)CCC3)n1 ZINC000083704749 384793696 /nfs/dbraw/zinc/79/36/96/384793696.db2.gz UZIKVECSFIJVJK-UHFFFAOYSA-N 0 0 244.363 3.552 20 0 BHADRN Cc1ccc(C(C)C)cc1OCC1CCOCC1 ZINC000083748578 384796193 /nfs/dbraw/zinc/79/61/93/384796193.db2.gz CYFWBZCQGACVMH-UHFFFAOYSA-N 0 0 248.366 3.924 20 0 BHADRN Cc1ccc(CN[C@@H]2CSc3ccccc32)o1 ZINC000083748692 388060524 /nfs/dbraw/zinc/06/05/24/388060524.db2.gz MUUXWFIXNQNURJ-CYBMUJFWSA-N 0 0 245.347 3.525 20 0 BHADRN Cc1ccc(CN[C@H]2CSc3ccccc32)o1 ZINC000083748694 388060515 /nfs/dbraw/zinc/06/05/15/388060515.db2.gz MUUXWFIXNQNURJ-ZDUSSCGKSA-N 0 0 245.347 3.525 20 0 BHADRN C[C@@H](CC(=O)OC1(C2CC2)CC1)c1ccccc1 ZINC000083770905 643679247 /nfs/dbraw/zinc/67/92/47/643679247.db2.gz JEYGTGYIOKOORO-LBPRGKRZSA-N 0 0 244.334 3.666 20 0 BHADRN C[C@H](CC(=O)OC1(C2CC2)CC1)c1ccccc1 ZINC000083770906 643679752 /nfs/dbraw/zinc/67/97/52/643679752.db2.gz JEYGTGYIOKOORO-GFCCVEGCSA-N 0 0 244.334 3.666 20 0 BHADRN CCCCn1cc(-c2ccc(C)cc2)cn1 ZINC000083794753 387422781 /nfs/dbraw/zinc/42/27/81/387422781.db2.gz OWJIWCUVPDQMLN-UHFFFAOYSA-N 0 0 214.312 3.659 20 0 BHADRN Cc1ccc(-c2cnn(CC(C)C)c2)cc1 ZINC000083794754 256754960 /nfs/dbraw/zinc/75/49/60/256754960.db2.gz NZRZKSXTWODQSM-UHFFFAOYSA-N 0 0 214.312 3.515 20 0 BHADRN CC(=O)Nc1ccc(C)c(N[C@@H]2CC[C@H](C)C2)c1 ZINC000083829144 388062902 /nfs/dbraw/zinc/06/29/02/388062902.db2.gz HEIAPUDJBHFOQA-GXFFZTMASA-N 0 0 246.354 3.554 20 0 BHADRN CC(=O)Nc1ccc(C)c(N[C@H]2CC[C@H](C)C2)c1 ZINC000083829145 388063761 /nfs/dbraw/zinc/06/37/61/388063761.db2.gz HEIAPUDJBHFOQA-GWCFXTLKSA-N 0 0 246.354 3.554 20 0 BHADRN CC(=O)Nc1ccc(C)c(N[C@@H]2CC[C@@H](C)C2)c1 ZINC000083829146 388064131 /nfs/dbraw/zinc/06/41/31/388064131.db2.gz HEIAPUDJBHFOQA-ZWNOBZJWSA-N 0 0 246.354 3.554 20 0 BHADRN CC(=O)Nc1ccc(C)c(N[C@H]2CC[C@@H](C)C2)c1 ZINC000083829147 388063994 /nfs/dbraw/zinc/06/39/94/388063994.db2.gz HEIAPUDJBHFOQA-MFKMUULPSA-N 0 0 246.354 3.554 20 0 BHADRN COc1ccc(NCC2CCC2)cc1Cl ZINC000083838201 643544112 /nfs/dbraw/zinc/54/41/12/643544112.db2.gz VHNQUVCDHREOHJ-UHFFFAOYSA-N 0 0 225.719 3.561 20 0 BHADRN COc1ccc(Cl)cc1NCC1CCC1 ZINC000083838259 387426396 /nfs/dbraw/zinc/42/63/96/387426396.db2.gz QFAXORLGMUXPHR-UHFFFAOYSA-N 0 0 225.719 3.561 20 0 BHADRN Brc1ccccc1NCC1CCC1 ZINC000083838282 384801973 /nfs/dbraw/zinc/80/19/73/384801973.db2.gz BIIRWJRJPXZKQH-UHFFFAOYSA-N 0 0 240.144 3.661 20 0 BHADRN Brc1ccc(NCC2CCC2)cc1 ZINC000083838284 384802147 /nfs/dbraw/zinc/80/21/47/384802147.db2.gz VQJRDGPXXDRTNS-UHFFFAOYSA-N 0 0 240.144 3.661 20 0 BHADRN Brc1cccc(NCC2CCC2)c1 ZINC000083838286 387427368 /nfs/dbraw/zinc/42/73/68/387427368.db2.gz UFPYFUSTSJESKQ-UHFFFAOYSA-N 0 0 240.144 3.661 20 0 BHADRN Fc1c(Cl)cccc1NCC1CCC1 ZINC000083838333 384801064 /nfs/dbraw/zinc/80/10/64/384801064.db2.gz RDYILUYRSOWZCC-UHFFFAOYSA-N 0 0 213.683 3.691 20 0 BHADRN Fc1ccc(NCC2CCC2)c(Cl)c1 ZINC000083838352 384803556 /nfs/dbraw/zinc/80/35/56/384803556.db2.gz DOSRUDFKPAACLO-UHFFFAOYSA-N 0 0 213.683 3.691 20 0 BHADRN FC(F)Oc1ccccc1NCC1CCC1 ZINC000083838355 351957889 /nfs/dbraw/zinc/95/78/89/351957889.db2.gz XQDWNYFQNXXCFN-UHFFFAOYSA-N 0 0 227.254 3.500 20 0 BHADRN Fc1ccc(Cl)cc1NCC1CCC1 ZINC000083838368 387426492 /nfs/dbraw/zinc/42/64/92/387426492.db2.gz CIWWLGUHAWDBMW-UHFFFAOYSA-N 0 0 213.683 3.691 20 0 BHADRN Fc1cc(NCC2CCC2)ccc1Cl ZINC000083838485 256562442 /nfs/dbraw/zinc/56/24/42/256562442.db2.gz BZPNWYWTEZGDLO-UHFFFAOYSA-N 0 0 213.683 3.691 20 0 BHADRN Fc1cc(Cl)ccc1NCC1CCC1 ZINC000083838490 256756262 /nfs/dbraw/zinc/75/62/62/256756262.db2.gz KLLDRUMLCIDYBC-UHFFFAOYSA-N 0 0 213.683 3.691 20 0 BHADRN COc1ccc(Cl)c(NCC2CCC2)c1 ZINC000083838560 387427210 /nfs/dbraw/zinc/42/72/10/387427210.db2.gz LQNXXOGROHTNHR-UHFFFAOYSA-N 0 0 225.719 3.561 20 0 BHADRN CC(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000083839067 387425887 /nfs/dbraw/zinc/42/58/87/387425887.db2.gz ABQFPRBZWUETGQ-UHFFFAOYSA-N 0 0 238.714 3.722 20 0 BHADRN Nc1ccc(SCC2CCC2)c(Cl)c1 ZINC000083839296 384805788 /nfs/dbraw/zinc/80/57/88/384805788.db2.gz LBOSAPWNWHITEO-UHFFFAOYSA-N 0 0 227.760 3.814 20 0 BHADRN CC[C@@H](C)C[C@@H](C)Nc1cc(C)ccn1 ZINC000083865234 387426091 /nfs/dbraw/zinc/42/60/91/387426091.db2.gz VNHGVVVVFDBEDN-ZYHUDNBSSA-N 0 0 206.333 3.627 20 0 BHADRN CC[C@H](C)C[C@@H](C)Nc1cc(C)ccn1 ZINC000083865235 387426542 /nfs/dbraw/zinc/42/65/42/387426542.db2.gz VNHGVVVVFDBEDN-CMPLNLGQSA-N 0 0 206.333 3.627 20 0 BHADRN CC[C@@H](C)C[C@H](C)Nc1cc(C)ccn1 ZINC000083865236 387426228 /nfs/dbraw/zinc/42/62/28/387426228.db2.gz VNHGVVVVFDBEDN-PWSUYJOCSA-N 0 0 206.333 3.627 20 0 BHADRN CC[C@H](C)C[C@H](C)Nc1cc(C)ccn1 ZINC000083865237 387426253 /nfs/dbraw/zinc/42/62/53/387426253.db2.gz VNHGVVVVFDBEDN-JQWIXIFHSA-N 0 0 206.333 3.627 20 0 BHADRN CC[C@@H](C)C[C@@H](C)Nc1nc(C2CC2)ns1 ZINC000083865262 133562068 /nfs/dbraw/zinc/56/20/68/133562068.db2.gz ZJFWUGDMRXNRFC-RKDXNWHRSA-N 0 0 239.388 3.652 20 0 BHADRN CC[C@H](C)C[C@@H](C)Nc1nc(C2CC2)ns1 ZINC000083865263 351963087 /nfs/dbraw/zinc/96/30/87/351963087.db2.gz ZJFWUGDMRXNRFC-DTWKUNHWSA-N 0 0 239.388 3.652 20 0 BHADRN 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234.339 3.542 20 0 BHADRN CC(C)(C)c1ccccc1OC[C@H]1CCCO1 ZINC000085151861 256567680 /nfs/dbraw/zinc/56/76/80/256567680.db2.gz YXFBFMOJWIWBPN-GFCCVEGCSA-N 0 0 234.339 3.542 20 0 BHADRN CC(C)(C)c1ccccc1OCc1ccno1 ZINC000085151930 491126795 /nfs/dbraw/zinc/12/67/95/491126795.db2.gz HPYNWVBEBUKUFM-UHFFFAOYSA-N 0 0 231.295 3.551 20 0 BHADRN Cc1cc(COc2ccccc2C(C)(C)C)on1 ZINC000085151932 384922264 /nfs/dbraw/zinc/92/22/64/384922264.db2.gz SUWZBWRMBKLPIR-UHFFFAOYSA-N 0 0 245.322 3.860 20 0 BHADRN CC(C)(C)c1ccccc1OCC(F)F ZINC000085151965 538115621 /nfs/dbraw/zinc/11/56/21/538115621.db2.gz KGMKBEMSROPOHI-UHFFFAOYSA-N 0 0 214.255 3.628 20 0 BHADRN Cc1cc(COc2ccccc2C(C)(C)C)no1 ZINC000085151968 384921877 /nfs/dbraw/zinc/92/18/77/384921877.db2.gz VKCRJKWGYYXMTJ-UHFFFAOYSA-N 0 0 245.322 3.860 20 0 BHADRN Cc1ncsc1CCOc1ccc(C)cc1C ZINC000085155063 256769966 /nfs/dbraw/zinc/76/99/66/256769966.db2.gz NZFMFOJZFKWAPK-UHFFFAOYSA-N 0 0 247.363 3.690 20 0 BHADRN CCC(CC)n1ccc(CNc2ccccc2)n1 ZINC000085172369 384923301 /nfs/dbraw/zinc/92/33/01/384923301.db2.gz IWEVXYGHFVRJQA-UHFFFAOYSA-N 0 0 243.354 3.856 20 0 BHADRN O=C(CSc1ccccc1Cl)CC1CC1 ZINC000085191672 409916194 /nfs/dbraw/zinc/91/61/94/409916194.db2.gz MPZAGWQZWPOXEI-UHFFFAOYSA-N 0 0 240.755 3.801 20 0 BHADRN CCC[C@H](O)CSc1ccccc1Cl ZINC000085192133 387479370 /nfs/dbraw/zinc/47/93/70/387479370.db2.gz WEUOILMOZKTGFA-VIFPVBQESA-N 0 0 230.760 3.593 20 0 BHADRN CCC[C@@H](O)CSc1ccccc1Cl ZINC000085192136 387480691 /nfs/dbraw/zinc/48/06/91/387480691.db2.gz WEUOILMOZKTGFA-SECBINFHSA-N 0 0 230.760 3.593 20 0 BHADRN O=C(CSc1cccc(Cl)c1)CC1CC1 ZINC000085195326 134248449 /nfs/dbraw/zinc/24/84/49/134248449.db2.gz MSHJRRZUEBFWTD-UHFFFAOYSA-N 0 0 240.755 3.801 20 0 BHADRN CCC[C@H](O)CSc1cccc(Cl)c1 ZINC000085195705 256769501 /nfs/dbraw/zinc/76/95/01/256769501.db2.gz QYXYZVDBADJBIB-JTQLQIEISA-N 0 0 230.760 3.593 20 0 BHADRN CCC[C@@H](O)CSc1cccc(Cl)c1 ZINC000085195708 387479532 /nfs/dbraw/zinc/47/95/32/387479532.db2.gz QYXYZVDBADJBIB-SNVBAGLBSA-N 0 0 230.760 3.593 20 0 BHADRN CCC(CC)n1ccc(COc2ccccc2)n1 ZINC000085195720 387480062 /nfs/dbraw/zinc/48/00/62/387480062.db2.gz KXGKCNHUIGLCGI-UHFFFAOYSA-N 0 0 244.338 3.823 20 0 BHADRN c1cn(C2CCCC2)nc1COc1ccccc1 ZINC000085195724 387480452 /nfs/dbraw/zinc/48/04/52/387480452.db2.gz ITTNFCPGCPMSRE-UHFFFAOYSA-N 0 0 242.322 3.577 20 0 BHADRN Cc1ccc(NC(=O)C2CCCCCC2)cc1O ZINC000085203309 384924381 /nfs/dbraw/zinc/92/43/81/384924381.db2.gz CKRXMQRCJOSIGE-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN Cc1ccc(NC(=O)CC2=CCCCC2)cc1O ZINC000085203338 256567092 /nfs/dbraw/zinc/56/70/92/256567092.db2.gz HNLDGTASFLVNHH-UHFFFAOYSA-N 0 0 245.322 3.530 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H](C)C(C)(C)C)cc1O ZINC000085203405 256567397 /nfs/dbraw/zinc/56/73/97/256567397.db2.gz RJUYWVLEPWEPKH-LLVKDONJSA-N 0 0 249.354 3.711 20 0 BHADRN Cc1ccc(NC(=O)C[C@H](C)C(C)(C)C)cc1O ZINC000085203406 384923800 /nfs/dbraw/zinc/92/38/00/384923800.db2.gz RJUYWVLEPWEPKH-NSHDSACASA-N 0 0 249.354 3.711 20 0 BHADRN CCC[C@H](O)CSc1ccc(Cl)cc1 ZINC000085218119 387481646 /nfs/dbraw/zinc/48/16/46/387481646.db2.gz FZIXKFMSGJCSNI-JTQLQIEISA-N 0 0 230.760 3.593 20 0 BHADRN CCC[C@@H](O)CSc1ccc(Cl)cc1 ZINC000085218121 387481258 /nfs/dbraw/zinc/48/12/58/387481258.db2.gz FZIXKFMSGJCSNI-SNVBAGLBSA-N 0 0 230.760 3.593 20 0 BHADRN COc1ccc(CSc2cccc(F)c2)cn1 ZINC000085254571 345531132 /nfs/dbraw/zinc/53/11/32/345531132.db2.gz JRWYSLQXXWCVQN-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN CC(C)COc1ccc(Oc2nccs2)cc1 ZINC000085268451 388666780 /nfs/dbraw/zinc/66/67/80/388666780.db2.gz SOCAEWKXBWMOFS-UHFFFAOYSA-N 0 0 249.335 3.970 20 0 BHADRN Cc1ccc(NCc2ncc(C(C)(C)C)o2)cc1 ZINC000085270195 345531527 /nfs/dbraw/zinc/53/15/27/345531527.db2.gz XCBCRPIOAXDTNN-UHFFFAOYSA-N 0 0 244.338 3.893 20 0 BHADRN CCCCNc1cccc(NC(=O)CCC)c1 ZINC000085273358 325592945 /nfs/dbraw/zinc/59/29/45/325592945.db2.gz KPBWHXUJSQKROC-UHFFFAOYSA-N 0 0 234.343 3.637 20 0 BHADRN CCCCNc1ccc(-c2nccc(C)n2)cc1 ZINC000085277600 384934691 /nfs/dbraw/zinc/93/46/91/384934691.db2.gz TXYGXKHUTIALBT-UHFFFAOYSA-N 0 0 241.338 3.664 20 0 BHADRN CCCN[C@@H](c1cccc(C)c1)C(F)(F)F ZINC000085277828 384935970 /nfs/dbraw/zinc/93/59/70/384935970.db2.gz ZKGHEKCQLIDSBK-NSHDSACASA-N 0 0 231.261 3.598 20 0 BHADRN CCCN[C@H](c1cccc(C)c1)C(F)(F)F ZINC000085277830 256567472 /nfs/dbraw/zinc/56/74/72/256567472.db2.gz ZKGHEKCQLIDSBK-LLVKDONJSA-N 0 0 231.261 3.598 20 0 BHADRN Cc1cc(CNc2c(C)cccc2Cl)no1 ZINC000085279241 398049467 /nfs/dbraw/zinc/04/94/67/398049467.db2.gz MWSWWYPRIWDHPE-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1c(F)cccc1NCc1ncc(C(C)C)o1 ZINC000085280553 644440804 /nfs/dbraw/zinc/44/08/04/644440804.db2.gz RODPPFFKWVAOTG-UHFFFAOYSA-N 0 0 248.301 3.858 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)C1CC=CC1 ZINC000085296000 179108501 /nfs/dbraw/zinc/10/85/01/179108501.db2.gz CXYUXONAPOXURF-UHFFFAOYSA-N 0 0 235.714 3.553 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)/C=C/C1CC1 ZINC000085297188 344204554 /nfs/dbraw/zinc/20/45/54/344204554.db2.gz OSFRCXARPZYNFM-BQYQJAHWSA-N 0 0 235.714 3.553 20 0 BHADRN Cc1cc(F)ccc1NCc1cnn(C(C)C)c1 ZINC000085303587 178089880 /nfs/dbraw/zinc/08/98/80/178089880.db2.gz SOOYBGLPAFVRRC-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN Cc1csc(CNc2ccc(F)cc2C)n1 ZINC000085303608 384935104 /nfs/dbraw/zinc/93/51/04/384935104.db2.gz LZHRGRZJSZPLAK-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN COC(CSc1ccc(C(C)C)cc1)OC ZINC000085351699 643749660 /nfs/dbraw/zinc/74/96/60/643749660.db2.gz VVVVKUNWVRBJER-UHFFFAOYSA-N 0 0 240.368 3.521 20 0 BHADRN CCO[C@@H]1C[C@H](Nc2cccc(C)c2)C1(C)C ZINC000085378484 256567206 /nfs/dbraw/zinc/56/72/06/256567206.db2.gz CIROVCKEBHSTOC-UONOGXRCSA-N 0 0 233.355 3.611 20 0 BHADRN CCO[C@H]1C[C@H](Nc2cccc(C)c2)C1(C)C ZINC000085378485 384941760 /nfs/dbraw/zinc/94/17/60/384941760.db2.gz CIROVCKEBHSTOC-KBPBESRZSA-N 0 0 233.355 3.611 20 0 BHADRN CCO[C@@H]1C[C@@H](Nc2cccc(C)c2)C1(C)C ZINC000085378491 387484705 /nfs/dbraw/zinc/48/47/05/387484705.db2.gz CIROVCKEBHSTOC-ZIAGYGMSSA-N 0 0 233.355 3.611 20 0 BHADRN CCO[C@H]1C[C@@H](Nc2cccc(C)c2)C1(C)C ZINC000085378494 256769766 /nfs/dbraw/zinc/76/97/66/256769766.db2.gz CIROVCKEBHSTOC-KGLIPLIRSA-N 0 0 233.355 3.611 20 0 BHADRN CCO[C@@H]1C[C@H](Nc2ccc(C)cc2)C1(C)C ZINC000085379676 384942942 /nfs/dbraw/zinc/94/29/42/384942942.db2.gz IHDYHLWEBNEOKL-UONOGXRCSA-N 0 0 233.355 3.611 20 0 BHADRN CCO[C@H]1C[C@H](Nc2ccc(C)cc2)C1(C)C ZINC000085379679 384941280 /nfs/dbraw/zinc/94/12/80/384941280.db2.gz IHDYHLWEBNEOKL-KBPBESRZSA-N 0 0 233.355 3.611 20 0 BHADRN CCO[C@@H]1C[C@@H](Nc2ccc(C)cc2)C1(C)C ZINC000085379683 384943203 /nfs/dbraw/zinc/94/32/03/384943203.db2.gz IHDYHLWEBNEOKL-ZIAGYGMSSA-N 0 0 233.355 3.611 20 0 BHADRN CCO[C@H]1C[C@@H](Nc2ccc(C)cc2)C1(C)C ZINC000085379685 384942969 /nfs/dbraw/zinc/94/29/69/384942969.db2.gz IHDYHLWEBNEOKL-KGLIPLIRSA-N 0 0 233.355 3.611 20 0 BHADRN Cc1cccc(Cl)c1NCc1nccs1 ZINC000085388136 135483234 /nfs/dbraw/zinc/48/32/34/135483234.db2.gz LEIFKTPSHWWRKD-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1cccc(Cl)c1NCC[C@@H]1CCCO1 ZINC000085388388 388087072 /nfs/dbraw/zinc/08/70/72/388087072.db2.gz GJPREPOVNOMXME-NSHDSACASA-N 0 0 239.746 3.629 20 0 BHADRN Cc1cccc(Cl)c1NCC[C@H]1CCCO1 ZINC000085388390 388087145 /nfs/dbraw/zinc/08/71/45/388087145.db2.gz GJPREPOVNOMXME-LLVKDONJSA-N 0 0 239.746 3.629 20 0 BHADRN CCC(CC)Nc1cc(C(F)(F)F)ccn1 ZINC000085486115 387062023 /nfs/dbraw/zinc/06/20/23/387062023.db2.gz FGVQCJUXJOUYGO-UHFFFAOYSA-N 0 0 232.249 3.701 20 0 BHADRN CCC[C@@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000085486124 538117130 /nfs/dbraw/zinc/11/71/30/538117130.db2.gz QCRSXSUDKOZZCC-MRVPVSSYSA-N 0 0 232.249 3.701 20 0 BHADRN CCC[C@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000085486126 538117079 /nfs/dbraw/zinc/11/70/79/538117079.db2.gz QCRSXSUDKOZZCC-QMMMGPOBSA-N 0 0 232.249 3.701 20 0 BHADRN CCCCCNc1cc(C(F)(F)F)ccn1 ZINC000085486129 387061437 /nfs/dbraw/zinc/06/14/37/387061437.db2.gz LOLSKFJMSXKKLI-UHFFFAOYSA-N 0 0 232.249 3.703 20 0 BHADRN CC(C)CCNc1cc(C(F)(F)F)ccn1 ZINC000085486131 387062061 /nfs/dbraw/zinc/06/20/61/387062061.db2.gz ZXFMEBCUXNTSCK-UHFFFAOYSA-N 0 0 232.249 3.558 20 0 BHADRN CC(C)(C)CNc1cc(C(F)(F)F)ccn1 ZINC000085486168 387062348 /nfs/dbraw/zinc/06/23/48/387062348.db2.gz KKYLFVSFQFGOTD-UHFFFAOYSA-N 0 0 232.249 3.558 20 0 BHADRN C[C@H](SCC1CCCC1)C(=O)OC(C)(C)C ZINC000085493740 387489764 /nfs/dbraw/zinc/48/97/64/387489764.db2.gz KXUVOYUZDOIJJR-JTQLQIEISA-N 0 0 244.400 3.640 20 0 BHADRN C[C@@H](SCC1CCCC1)C(=O)OC(C)(C)C ZINC000085493745 387491056 /nfs/dbraw/zinc/49/10/56/387491056.db2.gz KXUVOYUZDOIJJR-SNVBAGLBSA-N 0 0 244.400 3.640 20 0 BHADRN Cc1ccc(F)c(OCc2cccc(F)c2)c1 ZINC000085565333 398288396 /nfs/dbraw/zinc/28/83/96/398288396.db2.gz GDNIKTHIFHAYPF-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN Cc1ccc(F)c(OCc2ccc(F)cc2)c1 ZINC000085565337 387496025 /nfs/dbraw/zinc/49/60/25/387496025.db2.gz RGLWCMSMHLAIFS-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN Cc1ccc(F)c(OCC2CCCC2)c1 ZINC000085565393 398288537 /nfs/dbraw/zinc/28/85/37/398288537.db2.gz WQSCAUYFELKLJU-UHFFFAOYSA-N 0 0 208.276 3.703 20 0 BHADRN Cc1ccc(F)c(OCCOc2ccccc2)c1 ZINC000085565406 322961641 /nfs/dbraw/zinc/96/16/41/322961641.db2.gz GFDPXCKNNDZYOL-UHFFFAOYSA-N 0 0 246.281 3.592 20 0 BHADRN Cc1ccc(F)c(OCc2ccccc2F)c1 ZINC000085565605 256772027 /nfs/dbraw/zinc/77/20/27/256772027.db2.gz ABQYFXHUKVWBAO-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN COc1cccc(COc2cc(C)ccc2F)c1 ZINC000085565613 387494352 /nfs/dbraw/zinc/49/43/52/387494352.db2.gz BHELBCBDEYSDPC-UHFFFAOYSA-N 0 0 246.281 3.722 20 0 BHADRN Cc1ccc(F)c(OCCc2ccccc2)c1 ZINC000085565617 387495543 /nfs/dbraw/zinc/49/55/43/387495543.db2.gz XWKCAHYJZQOBJV-UHFFFAOYSA-N 0 0 230.282 3.756 20 0 BHADRN COc1ccccc1COc1cc(C)ccc1F ZINC000085565717 387495693 /nfs/dbraw/zinc/49/56/93/387495693.db2.gz PWDDFYYQVICFEQ-UHFFFAOYSA-N 0 0 246.281 3.722 20 0 BHADRN COc1ccc(COc2cc(C)ccc2F)cc1 ZINC000085566104 387496080 /nfs/dbraw/zinc/49/60/80/387496080.db2.gz NSHGVNCJTHMZKX-UHFFFAOYSA-N 0 0 246.281 3.722 20 0 BHADRN Cc1ccc(Cl)cc1NCc1cc[nH]c1 ZINC000085578597 384540745 /nfs/dbraw/zinc/54/07/45/384540745.db2.gz IZKXSYKYLGWAQW-UHFFFAOYSA-N 0 0 220.703 3.589 20 0 BHADRN Cc1ccc(NCc2cc[nH]c2)cc1Cl ZINC000085578643 384540985 /nfs/dbraw/zinc/54/09/85/384540985.db2.gz CGVWSXYQKCHLFN-UHFFFAOYSA-N 0 0 220.703 3.589 20 0 BHADRN Clc1ccc(NCc2cc[nH]c2)cc1Cl ZINC000085578701 384540165 /nfs/dbraw/zinc/54/01/65/384540165.db2.gz LOVBWFMFZJONMC-UHFFFAOYSA-N 0 0 241.121 3.934 20 0 BHADRN Cc1cc(Cl)ccc1NCc1cc[nH]c1 ZINC000085578788 384539413 /nfs/dbraw/zinc/53/94/13/384539413.db2.gz WFGLHFXOCUZOEB-UHFFFAOYSA-N 0 0 220.703 3.589 20 0 BHADRN CCCc1ccc(NCc2cc[nH]c2)cc1 ZINC000085578858 643760504 /nfs/dbraw/zinc/76/05/04/643760504.db2.gz MPIOZDHDPKNQIM-UHFFFAOYSA-N 0 0 214.312 3.579 20 0 BHADRN CCCc1ccccc1NCc1cc[nH]c1 ZINC000085579106 398289401 /nfs/dbraw/zinc/28/94/01/398289401.db2.gz IIQHYPGEMPXJPK-UHFFFAOYSA-N 0 0 214.312 3.579 20 0 BHADRN Cc1cc(C)c(NCc2cc[nH]c2)c(C)c1 ZINC000085579357 177867234 /nfs/dbraw/zinc/86/72/34/177867234.db2.gz MBRHZJJZCKVTOQ-UHFFFAOYSA-N 0 0 214.312 3.552 20 0 BHADRN Cc1ccc(Cl)cc1NCc1ccn(C)c1 ZINC000085589693 388092439 /nfs/dbraw/zinc/09/24/39/388092439.db2.gz BRFIPHYJCGYHBP-UHFFFAOYSA-N 0 0 234.730 3.599 20 0 BHADRN Cc1ccc(NCc2ccn(C)c2)cc1Cl ZINC000085589802 135486909 /nfs/dbraw/zinc/48/69/09/135486909.db2.gz UYWJCHHHTLHLIU-UHFFFAOYSA-N 0 0 234.730 3.599 20 0 BHADRN Cc1c(Cl)cccc1NCc1ccn(C)c1 ZINC000085589827 388092404 /nfs/dbraw/zinc/09/24/04/388092404.db2.gz OLSMDIWTQQRZBS-UHFFFAOYSA-N 0 0 234.730 3.599 20 0 BHADRN Cc1cc(Cl)ccc1NCc1ccn(C)c1 ZINC000085590085 387142941 /nfs/dbraw/zinc/14/29/41/387142941.db2.gz KDFJZDWFEPZLNX-UHFFFAOYSA-N 0 0 234.730 3.599 20 0 BHADRN Cc1ccc(NCc2ccn(C)c2)c(Cl)c1 ZINC000085590350 387142822 /nfs/dbraw/zinc/14/28/22/387142822.db2.gz GSPALIHCZGINKO-UHFFFAOYSA-N 0 0 234.730 3.599 20 0 BHADRN Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(C)c1 ZINC000085628251 384957144 /nfs/dbraw/zinc/95/71/44/384957144.db2.gz SBWUTCXGFRIHPS-CFVMTHIKSA-N 0 0 245.366 3.529 20 0 BHADRN Cc1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(C)c1 ZINC000085628258 178774412 /nfs/dbraw/zinc/77/44/12/178774412.db2.gz SBWUTCXGFRIHPS-YUELXQCFSA-N 0 0 245.366 3.529 20 0 BHADRN Cc1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1C ZINC000085629790 179154470 /nfs/dbraw/zinc/15/44/70/179154470.db2.gz ZHPNCZJCYWUYKF-CFVMTHIKSA-N 0 0 245.366 3.529 20 0 BHADRN Cc1cccc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1C ZINC000085629798 179156813 /nfs/dbraw/zinc/15/68/13/179156813.db2.gz ZHPNCZJCYWUYKF-YUELXQCFSA-N 0 0 245.366 3.529 20 0 BHADRN Cc1ccc(C)c(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000085629811 384957832 /nfs/dbraw/zinc/95/78/32/384957832.db2.gz PSVSXWMDAFHECQ-CFVMTHIKSA-N 0 0 245.366 3.529 20 0 BHADRN Cc1ccc(C)c(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000085629815 384957363 /nfs/dbraw/zinc/95/73/63/384957363.db2.gz PSVSXWMDAFHECQ-YUELXQCFSA-N 0 0 245.366 3.529 20 0 BHADRN Cc1cccc(CNc2ccnc3ccncc32)c1 ZINC000085655722 410467005 /nfs/dbraw/zinc/46/70/05/410467005.db2.gz AMJPUQSKFVISHZ-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1cccc(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000085669600 259339574 /nfs/dbraw/zinc/33/95/74/259339574.db2.gz IUVPCHPCAIZFQO-ZNMIVQPWSA-N 0 0 245.366 3.611 20 0 BHADRN Cc1cccc(N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000085669608 387499630 /nfs/dbraw/zinc/49/96/30/387499630.db2.gz IUVPCHPCAIZFQO-KFWWJZLASA-N 0 0 245.366 3.611 20 0 BHADRN Cc1ccc(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000085670808 259339610 /nfs/dbraw/zinc/33/96/10/259339610.db2.gz HSBDDKOZRZOEDR-ZNMIVQPWSA-N 0 0 245.366 3.611 20 0 BHADRN Cc1ccc(N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000085670813 259339562 /nfs/dbraw/zinc/33/95/62/259339562.db2.gz HSBDDKOZRZOEDR-KFWWJZLASA-N 0 0 245.366 3.611 20 0 BHADRN CCO[C@@H]1C[C@H](Nc2ccccc2)C12CCCC2 ZINC000085677353 491051981 /nfs/dbraw/zinc/05/19/81/491051981.db2.gz DBQAPWMEGZCLJM-LSDHHAIUSA-N 0 0 245.366 3.836 20 0 BHADRN CCO[C@H]1C[C@H](Nc2ccccc2)C12CCCC2 ZINC000085677355 491052059 /nfs/dbraw/zinc/05/20/59/491052059.db2.gz DBQAPWMEGZCLJM-GJZGRUSLSA-N 0 0 245.366 3.836 20 0 BHADRN CCO[C@@H]1C[C@@H](Nc2ccccc2)C12CCCC2 ZINC000085677357 491051999 /nfs/dbraw/zinc/05/19/99/491051999.db2.gz DBQAPWMEGZCLJM-HUUCEWRRSA-N 0 0 245.366 3.836 20 0 BHADRN CCO[C@H]1C[C@@H](Nc2ccccc2)C12CCCC2 ZINC000085677359 491052057 /nfs/dbraw/zinc/05/20/57/491052057.db2.gz DBQAPWMEGZCLJM-CABCVRRESA-N 0 0 245.366 3.836 20 0 BHADRN CCCCSCc1cccc(Cl)n1 ZINC000085680712 643622626 /nfs/dbraw/zinc/62/26/26/643622626.db2.gz BLMRODBDRZLIGN-UHFFFAOYSA-N 0 0 215.749 3.768 20 0 BHADRN CC(C)CSCc1cccc(Cl)n1 ZINC000085680719 643768416 /nfs/dbraw/zinc/76/84/16/643768416.db2.gz SBMIKWCHFNRXDD-UHFFFAOYSA-N 0 0 215.749 3.624 20 0 BHADRN Clc1cccc(CSCc2ccco2)n1 ZINC000085696215 643768752 /nfs/dbraw/zinc/76/87/52/643768752.db2.gz ANKDMJYAFFFSPE-UHFFFAOYSA-N 0 0 239.727 3.761 20 0 BHADRN Clc1cccc(CSC2CCCC2)n1 ZINC000085696240 643769481 /nfs/dbraw/zinc/76/94/81/643769481.db2.gz CFRVLSAVSWVOAC-UHFFFAOYSA-N 0 0 227.760 3.911 20 0 BHADRN CC(C)(C)[C@H](Nc1ncccn1)c1ccccc1 ZINC000085706457 345528606 /nfs/dbraw/zinc/52/86/06/345528606.db2.gz RQKMYIVHSRUYOY-CYBMUJFWSA-N 0 0 241.338 3.676 20 0 BHADRN CC(C)(C)[C@@H](Nc1ncccn1)c1ccccc1 ZINC000085706460 345528547 /nfs/dbraw/zinc/52/85/47/345528547.db2.gz RQKMYIVHSRUYOY-ZDUSSCGKSA-N 0 0 241.338 3.676 20 0 BHADRN Cc1ccc(C(F)(F)F)cc1NC(C)C ZINC000085709048 178457091 /nfs/dbraw/zinc/45/70/91/178457091.db2.gz QDROROVHQKHAQQ-UHFFFAOYSA-N 0 0 217.234 3.834 20 0 BHADRN Cc1cc(CNc2cccnc2C)c(C)s1 ZINC000085711733 322961867 /nfs/dbraw/zinc/96/18/67/322961867.db2.gz FYGRILPHEWTNGA-UHFFFAOYSA-N 0 0 232.352 3.680 20 0 BHADRN Cc1ncccc1NCc1ccccc1Cl ZINC000085711939 357560329 /nfs/dbraw/zinc/56/03/29/357560329.db2.gz BBRFODIYSDZYQC-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1ncccc1NCc1cccc(Cl)c1 ZINC000085712022 357560430 /nfs/dbraw/zinc/56/04/30/357560430.db2.gz IXQBEYYTAPJJOZ-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1ncccc1N[C@@H](C)CCC(C)C ZINC000085712402 180225803 /nfs/dbraw/zinc/22/58/03/180225803.db2.gz KUVLMRCAWRZBPB-NSHDSACASA-N 0 0 206.333 3.627 20 0 BHADRN Cc1ncccc1N[C@H](C)CCC(C)C ZINC000085712408 180227353 /nfs/dbraw/zinc/22/73/53/180227353.db2.gz KUVLMRCAWRZBPB-LLVKDONJSA-N 0 0 206.333 3.627 20 0 BHADRN Cc1ncccc1NCc1ccc(Cl)s1 ZINC000085726646 384553528 /nfs/dbraw/zinc/55/35/28/384553528.db2.gz MOVUCILLCMJIOU-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CCc1ccc(CNc2cccnc2C)s1 ZINC000085726672 384853760 /nfs/dbraw/zinc/85/37/60/384853760.db2.gz SFWNUORXRXNMCC-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN Cc1cc(F)cc(NCc2cccs2)c1 ZINC000085729485 178077817 /nfs/dbraw/zinc/07/78/17/178077817.db2.gz DLNNFCTVCSKEEC-UHFFFAOYSA-N 0 0 221.300 3.808 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)c2nccs2)c1 ZINC000085729492 178079280 /nfs/dbraw/zinc/07/92/80/178079280.db2.gz SHROJPVXEDYANX-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)c2nccs2)c1 ZINC000085729497 178079918 /nfs/dbraw/zinc/07/99/18/178079918.db2.gz SHROJPVXEDYANX-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(CNc2cc(C)cc(F)c2)o1 ZINC000085729556 388095532 /nfs/dbraw/zinc/09/55/32/388095532.db2.gz NNVAMZYIUBQOCE-UHFFFAOYSA-N 0 0 219.259 3.648 20 0 BHADRN Cc1cc(F)cc(NCc2ccsc2)c1 ZINC000085729577 178079347 /nfs/dbraw/zinc/07/93/47/178079347.db2.gz OWYOSYKAROPUMX-UHFFFAOYSA-N 0 0 221.300 3.808 20 0 BHADRN CC[C@H](Nc1cc(C)cc(F)c1)C1CC1 ZINC000085729633 387505256 /nfs/dbraw/zinc/50/52/56/387505256.db2.gz ORRIDNJPNMNDOU-ZDUSSCGKSA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@@H](Nc1cc(C)cc(F)c1)C1CC1 ZINC000085729635 387506833 /nfs/dbraw/zinc/50/68/33/387506833.db2.gz ORRIDNJPNMNDOU-CYBMUJFWSA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cc(F)cc(NCc2ccc(Cl)o2)c1 ZINC000085729694 387506799 /nfs/dbraw/zinc/50/67/99/387506799.db2.gz VZMDIDCHNIVGSW-UHFFFAOYSA-N 0 0 239.677 3.993 20 0 BHADRN Cc1nc(CNc2cc(C)cc(F)c2)cs1 ZINC000085729704 178079849 /nfs/dbraw/zinc/07/98/49/178079849.db2.gz AJAGMBYLLAHQIW-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Cc1ncsc1CNc1cc(C)cc(F)c1 ZINC000085729834 178079960 /nfs/dbraw/zinc/07/99/60/178079960.db2.gz UCFMFAABZBHZNQ-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Cc1ncc(CNc2cc(C)cc(F)c2)s1 ZINC000085729911 178079851 /nfs/dbraw/zinc/07/98/51/178079851.db2.gz CWDVJDJNZKMRRF-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Cc1cc(F)cc(NCc2ccccc2)c1 ZINC000085729933 259339504 /nfs/dbraw/zinc/33/95/04/259339504.db2.gz XCKKCVJOMAUSJJ-UHFFFAOYSA-N 0 0 215.271 3.746 20 0 BHADRN Cc1cc(F)cc(NC(C2CC2)C2CC2)c1 ZINC000085729971 398047209 /nfs/dbraw/zinc/04/72/09/398047209.db2.gz LTHYIYRUJAOJMS-UHFFFAOYSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)c2ccco2)c1 ZINC000085730088 387506067 /nfs/dbraw/zinc/50/60/67/387506067.db2.gz PSGOTNWNNHCXGK-JTQLQIEISA-N 0 0 219.259 3.900 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)c2ccco2)c1 ZINC000085730092 387505633 /nfs/dbraw/zinc/50/56/33/387505633.db2.gz PSGOTNWNNHCXGK-SNVBAGLBSA-N 0 0 219.259 3.900 20 0 BHADRN Cc1cc(F)cc(NCCc2cccs2)c1 ZINC000085730873 643795693 /nfs/dbraw/zinc/79/56/93/643795693.db2.gz NPXXPCKGPLMTGZ-UHFFFAOYSA-N 0 0 235.327 3.850 20 0 BHADRN CC(C)[C@H](Nc1nccs1)c1ccccc1 ZINC000085907904 644451946 /nfs/dbraw/zinc/45/19/46/644451946.db2.gz CKXCMWGULIYUKA-LBPRGKRZSA-N 0 0 232.352 3.952 20 0 BHADRN CC(C)[C@@H](Nc1nccs1)c1ccccc1 ZINC000085907906 644451471 /nfs/dbraw/zinc/45/14/71/644451471.db2.gz CKXCMWGULIYUKA-GFCCVEGCSA-N 0 0 232.352 3.952 20 0 BHADRN c1csc(N[C@@H](c2ccccc2)C2CC2)n1 ZINC000085907907 644452339 /nfs/dbraw/zinc/45/23/39/644452339.db2.gz JNTIZFWNNRNMKJ-LBPRGKRZSA-N 0 0 230.336 3.706 20 0 BHADRN c1csc(N[C@H](c2ccccc2)C2CC2)n1 ZINC000085907908 644450808 /nfs/dbraw/zinc/45/08/08/644450808.db2.gz JNTIZFWNNRNMKJ-GFCCVEGCSA-N 0 0 230.336 3.706 20 0 BHADRN CC(=O)c1cccc(OCCCC(C)C)c1 ZINC000085976320 387509893 /nfs/dbraw/zinc/50/98/93/387509893.db2.gz DYYJWHXMWNTZOU-UHFFFAOYSA-N 0 0 220.312 3.704 20 0 BHADRN Cc1cccc(NC/C(Cl)=C/Cl)c1 ZINC000085976808 643869749 /nfs/dbraw/zinc/86/97/49/643869749.db2.gz ODZDDPTUJRKCNQ-TWGQIWQCSA-N 0 0 216.111 3.726 20 0 BHADRN C[C@H](NC/C(Cl)=C/Cl)c1ccccc1 ZINC000085976821 384582134 /nfs/dbraw/zinc/58/21/34/384582134.db2.gz LSKPNAWEIKZSAC-MKVDPYIPSA-N 0 0 230.138 3.656 20 0 BHADRN C[C@@H](NC/C(Cl)=C/Cl)c1ccccc1 ZINC000085976826 384583723 /nfs/dbraw/zinc/58/37/23/384583723.db2.gz LSKPNAWEIKZSAC-MDXIRLPMSA-N 0 0 230.138 3.656 20 0 BHADRN CCOc1ccc(NC/C(Cl)=C/Cl)cc1 ZINC000085976917 644453555 /nfs/dbraw/zinc/45/35/55/644453555.db2.gz ZGSXFIIKJJWQLS-CLFYSBASSA-N 0 0 246.137 3.816 20 0 BHADRN CCOc1ccccc1NC/C(Cl)=C/Cl ZINC000085976939 644455002 /nfs/dbraw/zinc/45/50/02/644455002.db2.gz ZHNCUBBCNXLHBU-CLFYSBASSA-N 0 0 246.137 3.816 20 0 BHADRN Fc1ccc(F)c(NC/C(Cl)=C/Cl)c1 ZINC000085977022 644453947 /nfs/dbraw/zinc/45/39/47/644453947.db2.gz GTXJQAMXSDYCIL-XQRVVYSFSA-N 0 0 238.064 3.696 20 0 BHADRN COc1ccc(C)cc1NC/C(Cl)=C/Cl ZINC000085977108 644454716 /nfs/dbraw/zinc/45/47/16/644454716.db2.gz GQDDTQLOTQUFTP-TWGQIWQCSA-N 0 0 246.137 3.735 20 0 BHADRN Fc1ccc(NC/C(Cl)=C/Cl)cc1F ZINC000085977150 644454639 /nfs/dbraw/zinc/45/46/39/644454639.db2.gz PJUJBRMSJFEJRQ-XQRVVYSFSA-N 0 0 238.064 3.696 20 0 BHADRN Fc1cccc(NC/C(Cl)=C/Cl)c1 ZINC000085977169 643870485 /nfs/dbraw/zinc/87/04/85/643870485.db2.gz HZDDFUKSHRCFLA-ALCCZGGFSA-N 0 0 220.074 3.557 20 0 BHADRN Fc1ccc(NC/C(Cl)=C/Cl)cc1 ZINC000085977190 643870914 /nfs/dbraw/zinc/87/09/14/643870914.db2.gz NZQNBVUZAUKFFS-ALCCZGGFSA-N 0 0 220.074 3.557 20 0 BHADRN Fc1ccccc1NC/C(Cl)=C/Cl ZINC000085977208 643869840 /nfs/dbraw/zinc/86/98/40/643869840.db2.gz WLEWJJSZUPNVHR-ALCCZGGFSA-N 0 0 220.074 3.557 20 0 BHADRN Cc1ccc(F)cc1NC/C(Cl)=C/Cl ZINC000085977248 643870603 /nfs/dbraw/zinc/87/06/03/643870603.db2.gz KLSHXKWYKLJUJU-YVMONPNESA-N 0 0 234.101 3.865 20 0 BHADRN CCc1ccc(NC/C(Cl)=C/Cl)cc1 ZINC000085977256 644454147 /nfs/dbraw/zinc/45/41/47/644454147.db2.gz JEJLZOBCFSVJCC-YFHOEESVSA-N 0 0 230.138 3.980 20 0 BHADRN Cc1ccc(NC/C(Cl)=C/Cl)cc1F ZINC000085977257 644454842 /nfs/dbraw/zinc/45/48/42/644454842.db2.gz DOCDDPFKFIVRAI-YVMONPNESA-N 0 0 234.101 3.865 20 0 BHADRN CCc1ccccc1NC/C(Cl)=C/Cl ZINC000085977261 644454662 /nfs/dbraw/zinc/45/46/62/644454662.db2.gz SHJWYASTYSZUHZ-YFHOEESVSA-N 0 0 230.138 3.980 20 0 BHADRN Fc1cc(F)cc(NC/C(Cl)=C/Cl)c1 ZINC000085977287 644453981 /nfs/dbraw/zinc/45/39/81/644453981.db2.gz FQUGTLPNTBYSNF-XQRVVYSFSA-N 0 0 238.064 3.696 20 0 BHADRN Cc1ccc(NC/C(Cl)=C/Cl)cc1 ZINC000085977334 644454760 /nfs/dbraw/zinc/45/47/60/644454760.db2.gz NXNRRHWJBAFKHL-TWGQIWQCSA-N 0 0 216.111 3.726 20 0 BHADRN Cc1ccccc1NC/C(Cl)=C/Cl ZINC000085977344 644454947 /nfs/dbraw/zinc/45/49/47/644454947.db2.gz DBWCLMKWVLJLTQ-TWGQIWQCSA-N 0 0 216.111 3.726 20 0 BHADRN Cc1ccc(F)c(NC/C(Cl)=C/Cl)c1 ZINC000085977414 644454824 /nfs/dbraw/zinc/45/48/24/644454824.db2.gz CLLGHADJPDCPSU-YVMONPNESA-N 0 0 234.101 3.865 20 0 BHADRN Fc1cccc(F)c1NC/C(Cl)=C/Cl ZINC000085977456 644454926 /nfs/dbraw/zinc/45/49/26/644454926.db2.gz QTXMHZUTFUVANM-XQRVVYSFSA-N 0 0 238.064 3.696 20 0 BHADRN Fc1cccc(NC/C(Cl)=C/Cl)c1F ZINC000085978065 643870498 /nfs/dbraw/zinc/87/04/98/643870498.db2.gz OQEIJEBRMFKDPH-XQRVVYSFSA-N 0 0 238.064 3.696 20 0 BHADRN COCc1ccccc1NC/C(Cl)=C/Cl ZINC000085978360 643869865 /nfs/dbraw/zinc/86/98/65/643869865.db2.gz HDQRRHPFBZNSII-POHAHGRESA-N 0 0 246.137 3.564 20 0 BHADRN Cc1c(F)cccc1NC/C(Cl)=C/Cl ZINC000085978572 643870175 /nfs/dbraw/zinc/87/01/75/643870175.db2.gz VEBTYFVDSKWGDV-YVMONPNESA-N 0 0 234.101 3.865 20 0 BHADRN Cc1cc(NC/C(Cl)=C/Cl)ccc1F ZINC000085979048 643874785 /nfs/dbraw/zinc/87/47/85/643874785.db2.gz JPAWAKURJOHRHI-YVMONPNESA-N 0 0 234.101 3.865 20 0 BHADRN C[C@H](NC/C(Cl)=C/Cl)c1ccsc1 ZINC000085979059 643875496 /nfs/dbraw/zinc/87/54/96/643875496.db2.gz GUWSQOQASSXONG-YHESJLBYSA-N 0 0 236.167 3.718 20 0 BHADRN C[C@@H](NC/C(Cl)=C/Cl)c1ccsc1 ZINC000085979062 643875129 /nfs/dbraw/zinc/87/51/29/643875129.db2.gz GUWSQOQASSXONG-CPLNQPMESA-N 0 0 236.167 3.718 20 0 BHADRN COc1ccc(NC/C(Cl)=C/Cl)c(C)c1 ZINC000085979066 643875578 /nfs/dbraw/zinc/87/55/78/643875578.db2.gz VNXNOZPUWPEVCS-TWGQIWQCSA-N 0 0 246.137 3.735 20 0 BHADRN Cc1cc(F)cc(NC/C(Cl)=C/Cl)c1 ZINC000086000060 644453322 /nfs/dbraw/zinc/45/33/22/644453322.db2.gz GNPMEMCJAQLKPS-YVMONPNESA-N 0 0 234.101 3.865 20 0 BHADRN CC(=O)c1ccc(OC/C(Cl)=C/Cl)cc1 ZINC000086000144 644454970 /nfs/dbraw/zinc/45/49/70/644454970.db2.gz RVVGNOHBJRXZNQ-POHAHGRESA-N 0 0 245.105 3.587 20 0 BHADRN CC(=O)c1ccccc1OC/C(Cl)=C/Cl ZINC000086000147 644454680 /nfs/dbraw/zinc/45/46/80/644454680.db2.gz NYCGKWXXMQKFMJ-TWGQIWQCSA-N 0 0 245.105 3.587 20 0 BHADRN CC(=O)c1cccc(OC/C(Cl)=C/Cl)c1 ZINC000086000151 644454116 /nfs/dbraw/zinc/45/41/16/644454116.db2.gz HTOOYUSEDARYMD-POHAHGRESA-N 0 0 245.105 3.587 20 0 BHADRN Oc1ccc(SC/C(Cl)=C/Cl)cc1 ZINC000086001348 644456435 /nfs/dbraw/zinc/45/64/35/644456435.db2.gz NMCBQYNSDNZDIG-ALCCZGGFSA-N 0 0 235.135 3.803 20 0 BHADRN Cc1ccccc1OC/C(Cl)=C/Cl ZINC000086001643 643882570 /nfs/dbraw/zinc/88/25/70/643882570.db2.gz QRBMMPLMJDZQHC-TWGQIWQCSA-N 0 0 217.095 3.693 20 0 BHADRN Fc1ccccc1OC/C(Cl)=C/Cl ZINC000086001647 643881927 /nfs/dbraw/zinc/88/19/27/643881927.db2.gz XTBUPDPJHUBLKU-ALCCZGGFSA-N 0 0 221.058 3.524 20 0 BHADRN Fc1ccc(OC/C(Cl)=C/Cl)cc1 ZINC000086001652 643882725 /nfs/dbraw/zinc/88/27/25/643882725.db2.gz MNSVZQMYCLLEHJ-ALCCZGGFSA-N 0 0 221.058 3.524 20 0 BHADRN Cc1cccc(OC/C(Cl)=C/Cl)c1 ZINC000086001659 643882156 /nfs/dbraw/zinc/88/21/56/643882156.db2.gz YJAKGAGZSOVBKS-TWGQIWQCSA-N 0 0 217.095 3.693 20 0 BHADRN Fc1cccc(OC/C(Cl)=C/Cl)c1 ZINC000086001662 643882534 /nfs/dbraw/zinc/88/25/34/643882534.db2.gz ZFZAXNYWFMJEOC-ALCCZGGFSA-N 0 0 221.058 3.524 20 0 BHADRN Cc1ccc(F)c(OC/C(Cl)=C/Cl)c1 ZINC000086001683 643882882 /nfs/dbraw/zinc/88/28/82/643882882.db2.gz CAHKDKCJFWZNMN-YVMONPNESA-N 0 0 235.085 3.832 20 0 BHADRN CC(C)(O)CCSc1ccc(Cl)cc1 ZINC000086003416 343608113 /nfs/dbraw/zinc/60/81/13/343608113.db2.gz HYDILMQBTWSYOV-UHFFFAOYSA-N 0 0 230.760 3.593 20 0 BHADRN CC(C)(O)CCSc1ccccc1Cl ZINC000086003524 343607943 /nfs/dbraw/zinc/60/79/43/343607943.db2.gz PCAJLTDWFYKARI-UHFFFAOYSA-N 0 0 230.760 3.593 20 0 BHADRN Cc1ccc(SCCC(C)(C)O)cc1C ZINC000086004112 256528288 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/nfs/dbraw/zinc/40/35/31/388403531.db2.gz CNLUYXTWLCWNOD-BXUZGUMPSA-N 0 0 241.338 3.677 20 0 BHADRN C[C@H]1CCC[C@H]1Nc1cccc(-c2cc[nH]n2)c1 ZINC000086674490 388403676 /nfs/dbraw/zinc/40/36/76/388403676.db2.gz CNLUYXTWLCWNOD-SMDDNHRTSA-N 0 0 241.338 3.677 20 0 BHADRN C[C@@H]1CCC[C@@H]1Nc1ccc(-c2cnco2)cc1 ZINC000086674971 256797837 /nfs/dbraw/zinc/79/78/37/256797837.db2.gz YCTFCSMBHMQZAC-RISCZKNCSA-N 0 0 242.322 3.942 20 0 BHADRN C[C@H]1CCC[C@@H]1Nc1ccc(-c2cnco2)cc1 ZINC000086674972 256797698 /nfs/dbraw/zinc/79/76/98/256797698.db2.gz YCTFCSMBHMQZAC-FZMZJTMJSA-N 0 0 242.322 3.942 20 0 BHADRN C[C@@H]1CCC[C@H]1Nc1ccc(-c2cnco2)cc1 ZINC000086674973 490137962 /nfs/dbraw/zinc/13/79/62/490137962.db2.gz YCTFCSMBHMQZAC-BXUZGUMPSA-N 0 0 242.322 3.942 20 0 BHADRN C[C@H]1CCC[C@H]1Nc1ccc(-c2cnco2)cc1 ZINC000086674974 324171749 /nfs/dbraw/zinc/17/17/49/324171749.db2.gz YCTFCSMBHMQZAC-SMDDNHRTSA-N 0 0 242.322 3.942 20 0 BHADRN C[C@@H]1CCC[C@@H]1Nc1cccc(-c2cnco2)c1 ZINC000086675099 324171755 /nfs/dbraw/zinc/17/17/55/324171755.db2.gz ZUQOHWHDZVOYKK-RISCZKNCSA-N 0 0 242.322 3.942 20 0 BHADRN C[C@H]1CCC[C@@H]1Nc1cccc(-c2cnco2)c1 ZINC000086675100 324171710 /nfs/dbraw/zinc/17/17/10/324171710.db2.gz ZUQOHWHDZVOYKK-FZMZJTMJSA-N 0 0 242.322 3.942 20 0 BHADRN C[C@@H]1CCC[C@H]1Nc1cccc(-c2cnco2)c1 ZINC000086675101 324171765 /nfs/dbraw/zinc/17/17/65/324171765.db2.gz ZUQOHWHDZVOYKK-BXUZGUMPSA-N 0 0 242.322 3.942 20 0 BHADRN C[C@H]1CCC[C@H]1Nc1cccc(-c2cnco2)c1 ZINC000086675102 324171715 /nfs/dbraw/zinc/17/17/15/324171715.db2.gz ZUQOHWHDZVOYKK-SMDDNHRTSA-N 0 0 242.322 3.942 20 0 BHADRN C[C@@H]1CCC[C@@H]1Nc1ccc2ncccc2c1 ZINC000086675904 388405155 /nfs/dbraw/zinc/40/51/55/388405155.db2.gz OVCKNQHUTDQOSK-RISCZKNCSA-N 0 0 226.323 3.835 20 0 BHADRN C[C@H]1CCC[C@@H]1Nc1ccc2ncccc2c1 ZINC000086675905 388405001 /nfs/dbraw/zinc/40/50/01/388405001.db2.gz OVCKNQHUTDQOSK-FZMZJTMJSA-N 0 0 226.323 3.835 20 0 BHADRN C[C@@H]1CCC[C@H]1Nc1ccc2ncccc2c1 ZINC000086675906 388404997 /nfs/dbraw/zinc/40/49/97/388404997.db2.gz OVCKNQHUTDQOSK-BXUZGUMPSA-N 0 0 226.323 3.835 20 0 BHADRN C[C@H]1CCC[C@H]1Nc1ccc2ncccc2c1 ZINC000086675907 259513196 /nfs/dbraw/zinc/51/31/96/259513196.db2.gz OVCKNQHUTDQOSK-SMDDNHRTSA-N 0 0 226.323 3.835 20 0 BHADRN Fc1cc(Cl)cnc1NCc1cccs1 ZINC000086710223 388106641 /nfs/dbraw/zinc/10/66/41/388106641.db2.gz GFCIUZXMBPDDAU-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN CC(C)C[C@@H](C)Nc1ncc(Cl)cc1F ZINC000086710253 385040768 /nfs/dbraw/zinc/04/07/68/385040768.db2.gz RMNOFIZDCFCVDW-MRVPVSSYSA-N 0 0 230.714 3.721 20 0 BHADRN CC(C)C[C@H](C)Nc1ncc(Cl)cc1F ZINC000086710255 385039295 /nfs/dbraw/zinc/03/92/95/385039295.db2.gz RMNOFIZDCFCVDW-QMMMGPOBSA-N 0 0 230.714 3.721 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ncc(Cl)cc1F ZINC000086710482 388106732 /nfs/dbraw/zinc/10/67/32/388106732.db2.gz RUASZIOPNHPLGQ-HTQZYQBOSA-N 0 0 230.714 3.721 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ncc(Cl)cc1F ZINC000086710485 388107104 /nfs/dbraw/zinc/10/71/04/388107104.db2.gz RUASZIOPNHPLGQ-JGVFFNPUSA-N 0 0 230.714 3.721 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ncc(Cl)cc1F ZINC000086710488 388107196 /nfs/dbraw/zinc/10/71/96/388107196.db2.gz RUASZIOPNHPLGQ-SFYZADRCSA-N 0 0 230.714 3.721 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ncc(Cl)cc1F ZINC000086710492 535944601 /nfs/dbraw/zinc/94/46/01/535944601.db2.gz RUASZIOPNHPLGQ-YUMQZZPRSA-N 0 0 230.714 3.721 20 0 BHADRN Fc1cc(Cl)cnc1NCc1ccsc1 ZINC000086710713 388106664 /nfs/dbraw/zinc/10/66/64/388106664.db2.gz UKAYHKOGFILURJ-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN C[N@H+](Cc1cnc(Cl)s1)C1CCCCC1 ZINC000086776399 385044254 /nfs/dbraw/zinc/04/42/54/385044254.db2.gz ZYHSNWDREYVIAS-UHFFFAOYSA-N 0 0 244.791 3.561 20 0 BHADRN Fc1ccccc1OCc1cnc(Cl)s1 ZINC000086777212 631471286 /nfs/dbraw/zinc/47/12/86/631471286.db2.gz UIHGYOCPKVHGOE-UHFFFAOYSA-N 0 0 243.690 3.515 20 0 BHADRN Cc1ccccc1OCc1cnc(Cl)s1 ZINC000086777224 631470955 /nfs/dbraw/zinc/47/09/55/631470955.db2.gz BIMHKODDNUMYAQ-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN Fc1cccc(OCc2cnc(Cl)s2)c1 ZINC000086777233 712039688 /nfs/dbraw/zinc/03/96/88/712039688.db2.gz PTLSOJAAROAGBQ-UHFFFAOYSA-N 0 0 243.690 3.515 20 0 BHADRN Cc1ccc(OCc2cnc(Cl)s2)cc1 ZINC000086777239 644178753 /nfs/dbraw/zinc/17/87/53/644178753.db2.gz CWFYALSNNSIKRM-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN CC(C)CSCc1cnc(Cl)s1 ZINC000086777664 384684004 /nfs/dbraw/zinc/68/40/04/384684004.db2.gz XBEGMMXMENBKKF-UHFFFAOYSA-N 0 0 221.778 3.686 20 0 BHADRN CCCCSCc1cnc(Cl)s1 ZINC000086777679 644178800 /nfs/dbraw/zinc/17/88/00/644178800.db2.gz HNCTZPWYLOFMOP-UHFFFAOYSA-N 0 0 221.778 3.830 20 0 BHADRN Clc1ncc(CSC2CCCC2)s1 ZINC000086777741 631471130 /nfs/dbraw/zinc/47/11/30/631471130.db2.gz QKCFRDSWNYFJLS-UHFFFAOYSA-N 0 0 233.789 3.972 20 0 BHADRN C[C@H](Nc1ccncc1Cl)c1ccccc1 ZINC000086778288 388108761 /nfs/dbraw/zinc/10/87/61/388108761.db2.gz CKNXZJAEFXFWKV-JTQLQIEISA-N 0 0 232.714 3.908 20 0 BHADRN C[C@@H](Nc1ccncc1Cl)c1ccccc1 ZINC000086778290 388108757 /nfs/dbraw/zinc/10/87/57/388108757.db2.gz CKNXZJAEFXFWKV-SNVBAGLBSA-N 0 0 232.714 3.908 20 0 BHADRN Cc1ccc(CNc2ccncc2Cl)cc1 ZINC000086778364 388108750 /nfs/dbraw/zinc/10/87/50/388108750.db2.gz HZWBQYSFLZCNHV-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1ccccc1CNc1ccncc1Cl ZINC000086778387 388108683 /nfs/dbraw/zinc/10/86/83/388108683.db2.gz YAJIPMNBXYLCOW-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1cccc(CNc2ccncc2Cl)c1 ZINC000086831206 135097802 /nfs/dbraw/zinc/09/78/02/135097802.db2.gz IGGUZHOESGSAJD-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN CC(C)CCCNc1ccncc1Cl ZINC000086831208 135097850 /nfs/dbraw/zinc/09/78/50/135097850.db2.gz WXJPYSZHJNOFIK-UHFFFAOYSA-N 0 0 212.724 3.583 20 0 BHADRN Cc1ccc(CNc2ccncc2Cl)s1 ZINC000086831225 384698212 /nfs/dbraw/zinc/69/82/12/384698212.db2.gz ZZSGOGGTDZGMPR-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1ccsc1CNc1ccncc1Cl ZINC000086831263 384698142 /nfs/dbraw/zinc/69/81/42/384698142.db2.gz DYPMTLXJUKFMMN-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CCC[C@@H](CC)Nc1ccncc1Cl ZINC000086831271 388512422 /nfs/dbraw/zinc/51/24/22/388512422.db2.gz IRXRDLXPCCPQCJ-SECBINFHSA-N 0 0 212.724 3.726 20 0 BHADRN CCC[C@H](CC)Nc1ccncc1Cl ZINC000086831272 388512964 /nfs/dbraw/zinc/51/29/64/388512964.db2.gz IRXRDLXPCCPQCJ-VIFPVBQESA-N 0 0 212.724 3.726 20 0 BHADRN CC(C)c1nsc(N[C@@H]2CCCC2(C)C)n1 ZINC000086831394 135097264 /nfs/dbraw/zinc/09/72/64/135097264.db2.gz IERXPHXNRUFNHD-SECBINFHSA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)c1nsc(N[C@H]2CCCC2(C)C)n1 ZINC000086831395 135097327 /nfs/dbraw/zinc/09/73/27/135097327.db2.gz IERXPHXNRUFNHD-VIFPVBQESA-N 0 0 239.388 3.652 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1ccncc1Cl ZINC000086831412 135097706 /nfs/dbraw/zinc/09/77/06/135097706.db2.gz XVJPSABHSBGWIT-NSHDSACASA-N 0 0 224.735 3.726 20 0 BHADRN CC1(C)CCC[C@H]1Nc1ccncc1Cl ZINC000086831413 535308848 /nfs/dbraw/zinc/30/88/48/535308848.db2.gz XVJPSABHSBGWIT-LLVKDONJSA-N 0 0 224.735 3.726 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000086831432 135097187 /nfs/dbraw/zinc/09/71/87/135097187.db2.gz QFEARSKBUGYMLR-JTQLQIEISA-N 0 0 224.735 3.726 20 0 BHADRN CC1(C)CCC[C@H]1Nc1ccc(Cl)cn1 ZINC000086831433 535309900 /nfs/dbraw/zinc/30/99/00/535309900.db2.gz QFEARSKBUGYMLR-SNVBAGLBSA-N 0 0 224.735 3.726 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccncc1Cl ZINC000086833035 388512815 /nfs/dbraw/zinc/51/28/15/388512815.db2.gz BLSQFXVJNSMELX-SECBINFHSA-N 0 0 212.724 3.582 20 0 BHADRN CC(C)C[C@H](C)Nc1ccncc1Cl ZINC000086833036 256799561 /nfs/dbraw/zinc/79/95/61/256799561.db2.gz BLSQFXVJNSMELX-VIFPVBQESA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccncc1Cl ZINC000086833095 398192201 /nfs/dbraw/zinc/19/22/01/398192201.db2.gz ARURIWNHDVHYET-RKDXNWHRSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccncc1Cl ZINC000086833096 398192004 /nfs/dbraw/zinc/19/20/04/398192004.db2.gz ARURIWNHDVHYET-DTWKUNHWSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccncc1Cl ZINC000086833097 398192286 /nfs/dbraw/zinc/19/22/86/398192286.db2.gz ARURIWNHDVHYET-BDAKNGLRSA-N 0 0 212.724 3.582 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccncc1Cl ZINC000086833098 398192182 /nfs/dbraw/zinc/19/21/82/398192182.db2.gz ARURIWNHDVHYET-IUCAKERBSA-N 0 0 212.724 3.582 20 0 BHADRN C[C@H](Nc1ccncc1Cl)c1ccsc1 ZINC000086833173 491064653 /nfs/dbraw/zinc/06/46/53/491064653.db2.gz QYYAIMCLYRLXGX-QMMMGPOBSA-N 0 0 238.743 3.970 20 0 BHADRN C[C@@H](Nc1ccncc1Cl)c1ccsc1 ZINC000086833174 491064626 /nfs/dbraw/zinc/06/46/26/491064626.db2.gz QYYAIMCLYRLXGX-MRVPVSSYSA-N 0 0 238.743 3.970 20 0 BHADRN COc1ccccc1N[C@H]1CCCC1(C)C ZINC000086855663 386588094 /nfs/dbraw/zinc/58/80/94/386588094.db2.gz LWTHDVWSJDWCLL-ZDUSSCGKSA-N 0 0 219.328 3.686 20 0 BHADRN COc1ccccc1N[C@@H]1CCCC1(C)C ZINC000086855664 256624184 /nfs/dbraw/zinc/62/41/84/256624184.db2.gz LWTHDVWSJDWCLL-CYBMUJFWSA-N 0 0 219.328 3.686 20 0 BHADRN COc1cccc(N[C@H]2CCCC2(C)C)c1 ZINC000086855785 385054452 /nfs/dbraw/zinc/05/44/52/385054452.db2.gz QLRKOQLFMBEMEG-ZDUSSCGKSA-N 0 0 219.328 3.686 20 0 BHADRN COc1cccc(N[C@@H]2CCCC2(C)C)c1 ZINC000086855786 256571178 /nfs/dbraw/zinc/57/11/78/256571178.db2.gz QLRKOQLFMBEMEG-CYBMUJFWSA-N 0 0 219.328 3.686 20 0 BHADRN COc1ccc(N[C@H]2CCCC2(C)C)cc1 ZINC000086855793 644191898 /nfs/dbraw/zinc/19/18/98/644191898.db2.gz MOFHJEKFGKCRRW-ZDUSSCGKSA-N 0 0 219.328 3.686 20 0 BHADRN COc1ccc(N[C@@H]2CCCC2(C)C)cc1 ZINC000086855794 644191969 /nfs/dbraw/zinc/19/19/69/644191969.db2.gz MOFHJEKFGKCRRW-CYBMUJFWSA-N 0 0 219.328 3.686 20 0 BHADRN c1ccc2c(c1)cccc2N[C@@H]1CCCOCC1 ZINC000086869362 385057341 /nfs/dbraw/zinc/05/73/41/385057341.db2.gz SISSPYKEIQPYMC-CQSZACIVSA-N 0 0 241.334 3.821 20 0 BHADRN c1ccc2c(c1)cccc2N[C@H]1CCCOCC1 ZINC000086869363 322962965 /nfs/dbraw/zinc/96/29/65/322962965.db2.gz SISSPYKEIQPYMC-AWEZNQCLSA-N 0 0 241.334 3.821 20 0 BHADRN CC(C)(C)c1ccc(N[C@@H]2CCCOCC2)cc1 ZINC000086869440 259367535 /nfs/dbraw/zinc/36/75/35/259367535.db2.gz TYUSGISVRPNPSH-CQSZACIVSA-N 0 0 247.382 3.965 20 0 BHADRN CC(C)(C)c1ccc(N[C@H]2CCCOCC2)cc1 ZINC000086869442 259367631 /nfs/dbraw/zinc/36/76/31/259367631.db2.gz TYUSGISVRPNPSH-AWEZNQCLSA-N 0 0 247.382 3.965 20 0 BHADRN c1cc2c(c(N[C@@H]3CCCOCC3)c1)CCCC2 ZINC000086869464 322963041 /nfs/dbraw/zinc/96/30/41/322963041.db2.gz JRPMTFBBROKOHW-CQSZACIVSA-N 0 0 245.366 3.546 20 0 BHADRN c1cc2c(c(N[C@H]3CCCOCC3)c1)CCCC2 ZINC000086869466 322963032 /nfs/dbraw/zinc/96/30/32/322963032.db2.gz JRPMTFBBROKOHW-AWEZNQCLSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)c1ccc(N[C@@H]2CCCOCC2)cc1 ZINC000086869554 385058025 /nfs/dbraw/zinc/05/80/25/385058025.db2.gz CTYBTVLVGDVVIP-CQSZACIVSA-N 0 0 233.355 3.791 20 0 BHADRN CC(C)c1ccc(N[C@H]2CCCOCC2)cc1 ZINC000086869556 322963086 /nfs/dbraw/zinc/96/30/86/322963086.db2.gz CTYBTVLVGDVVIP-AWEZNQCLSA-N 0 0 233.355 3.791 20 0 BHADRN CC(C)c1cccc(N[C@@H]2CCCOCC2)c1 ZINC000086869936 385197210 /nfs/dbraw/zinc/19/72/10/385197210.db2.gz DOMBAVMBOPYGCF-CQSZACIVSA-N 0 0 233.355 3.791 20 0 BHADRN CC(C)c1cccc(N[C@H]2CCCOCC2)c1 ZINC000086869939 385196808 /nfs/dbraw/zinc/19/68/08/385196808.db2.gz DOMBAVMBOPYGCF-AWEZNQCLSA-N 0 0 233.355 3.791 20 0 BHADRN CCCc1ccccc1N[C@@H]1CCCOCC1 ZINC000086871166 256604035 /nfs/dbraw/zinc/60/40/35/256604035.db2.gz XFCIGIMLOIVIBE-CQSZACIVSA-N 0 0 233.355 3.620 20 0 BHADRN CCCc1ccccc1N[C@H]1CCCOCC1 ZINC000086871168 385202028 /nfs/dbraw/zinc/20/20/28/385202028.db2.gz XFCIGIMLOIVIBE-AWEZNQCLSA-N 0 0 233.355 3.620 20 0 BHADRN CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000086874033 385204655 /nfs/dbraw/zinc/20/46/55/385204655.db2.gz WZDHCAXLGWSBLP-LLVKDONJSA-N 0 0 241.762 3.991 20 0 BHADRN Cc1nc(N[C@@H]2CCCC2(C)C)sc1C ZINC000086875986 135099449 /nfs/dbraw/zinc/09/94/49/135099449.db2.gz XBQWZTNRSAROTF-SNVBAGLBSA-N 0 0 224.373 3.751 20 0 BHADRN Cc1nc(N[C@H]2CCCC2(C)C)sc1C ZINC000086875987 135099158 /nfs/dbraw/zinc/09/91/58/135099158.db2.gz XBQWZTNRSAROTF-JTQLQIEISA-N 0 0 224.373 3.751 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1ncccc1Cl ZINC000086876192 384713388 /nfs/dbraw/zinc/71/33/88/384713388.db2.gz MBZZIZWCDFWKQZ-JTQLQIEISA-N 0 0 224.735 3.726 20 0 BHADRN CC1(C)CCC[C@H]1Nc1ncccc1Cl ZINC000086876194 384715332 /nfs/dbraw/zinc/71/53/32/384715332.db2.gz MBZZIZWCDFWKQZ-SNVBAGLBSA-N 0 0 224.735 3.726 20 0 BHADRN CC1(C)CCCC[C@@H]1Nc1ncccc1F ZINC000086876221 135497921 /nfs/dbraw/zinc/49/79/21/135497921.db2.gz POTIUORBHXZSHK-NSHDSACASA-N 0 0 222.307 3.601 20 0 BHADRN CC1(C)CCCC[C@H]1Nc1ncccc1F ZINC000086876225 388110540 /nfs/dbraw/zinc/11/05/40/388110540.db2.gz POTIUORBHXZSHK-LLVKDONJSA-N 0 0 222.307 3.601 20 0 BHADRN CC1(C)CCCC[C@@H]1Nc1ccc(F)cn1 ZINC000086876299 385057818 /nfs/dbraw/zinc/05/78/18/385057818.db2.gz CZBRLUCSPLVLJE-NSHDSACASA-N 0 0 222.307 3.601 20 0 BHADRN CC1(C)CCCC[C@H]1Nc1ccc(F)cn1 ZINC000086876301 385057678 /nfs/dbraw/zinc/05/76/78/385057678.db2.gz CZBRLUCSPLVLJE-LLVKDONJSA-N 0 0 222.307 3.601 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1cccc(Cl)n1 ZINC000086878891 644248345 /nfs/dbraw/zinc/24/83/45/644248345.db2.gz OJHPUMQLMBWAHM-VIFPVBQESA-N 0 0 224.735 3.726 20 0 BHADRN CC1(C)CCC[C@H]1Nc1cccc(Cl)n1 ZINC000086878894 644248729 /nfs/dbraw/zinc/24/87/29/644248729.db2.gz OJHPUMQLMBWAHM-SECBINFHSA-N 0 0 224.735 3.726 20 0 BHADRN CC1(C)CCCC[C@@H]1Nc1cncc(Cl)n1 ZINC000086878977 135497972 /nfs/dbraw/zinc/49/79/72/135497972.db2.gz MJRPUWDBXUCIKU-VIFPVBQESA-N 0 0 239.750 3.511 20 0 BHADRN CC1(C)CCCC[C@H]1Nc1cncc(Cl)n1 ZINC000086878979 384713612 /nfs/dbraw/zinc/71/36/12/384713612.db2.gz MJRPUWDBXUCIKU-SECBINFHSA-N 0 0 239.750 3.511 20 0 BHADRN CC1(C)CCCC[C@@H]1Nc1cccc(F)n1 ZINC000086878982 135497717 /nfs/dbraw/zinc/49/77/17/135497717.db2.gz DAOIRWORDXLTKA-JTQLQIEISA-N 0 0 222.307 3.601 20 0 BHADRN CC1(C)CCCC[C@H]1Nc1cccc(F)n1 ZINC000086878985 388110188 /nfs/dbraw/zinc/11/01/88/388110188.db2.gz DAOIRWORDXLTKA-SNVBAGLBSA-N 0 0 222.307 3.601 20 0 BHADRN CSc1cccc(N[C@@H]2CS[C@H](C)C2)c1 ZINC000086934056 487588531 /nfs/dbraw/zinc/58/85/31/487588531.db2.gz XFGFUIWHRJLCSE-KOLCDFICSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1cccc(N[C@@H]2CS[C@@H](C)C2)c1 ZINC000086934057 487588351 /nfs/dbraw/zinc/58/83/51/487588351.db2.gz XFGFUIWHRJLCSE-ONGXEEELSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1cccc(N[C@H]2CS[C@H](C)C2)c1 ZINC000086934058 487588645 /nfs/dbraw/zinc/58/86/45/487588645.db2.gz XFGFUIWHRJLCSE-MWLCHTKSSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1cccc(N[C@H]2CS[C@@H](C)C2)c1 ZINC000086934059 487588730 /nfs/dbraw/zinc/58/87/30/487588730.db2.gz XFGFUIWHRJLCSE-GXSJLCMTSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccc(N[C@@H]2CS[C@H](C)C2)cc1 ZINC000086934128 487588724 /nfs/dbraw/zinc/58/87/24/487588724.db2.gz QSXHCCNHJKWKLW-KOLCDFICSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccc(N[C@@H]2CS[C@@H](C)C2)cc1 ZINC000086934129 487588918 /nfs/dbraw/zinc/58/89/18/487588918.db2.gz QSXHCCNHJKWKLW-ONGXEEELSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccc(N[C@H]2CS[C@H](C)C2)cc1 ZINC000086934130 487588933 /nfs/dbraw/zinc/58/89/33/487588933.db2.gz QSXHCCNHJKWKLW-MWLCHTKSSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccc(N[C@H]2CS[C@@H](C)C2)cc1 ZINC000086934131 487589184 /nfs/dbraw/zinc/58/91/84/487589184.db2.gz QSXHCCNHJKWKLW-GXSJLCMTSA-N 0 0 239.409 3.714 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccccc2Cl)CS1 ZINC000086934268 487589989 /nfs/dbraw/zinc/58/99/89/487589989.db2.gz DKAQLKUIAWZTLO-BDAKNGLRSA-N 0 0 227.760 3.646 20 0 BHADRN C[C@H]1C[C@H](Nc2ccccc2Cl)CS1 ZINC000086934269 487589231 /nfs/dbraw/zinc/58/92/31/487589231.db2.gz DKAQLKUIAWZTLO-IUCAKERBSA-N 0 0 227.760 3.646 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccccc2Cl)CS1 ZINC000086934270 487589820 /nfs/dbraw/zinc/58/98/20/487589820.db2.gz DKAQLKUIAWZTLO-RKDXNWHRSA-N 0 0 227.760 3.646 20 0 BHADRN C[C@H]1C[C@@H](Nc2ccccc2Cl)CS1 ZINC000086934271 487589702 /nfs/dbraw/zinc/58/97/02/487589702.db2.gz DKAQLKUIAWZTLO-DTWKUNHWSA-N 0 0 227.760 3.646 20 0 BHADRN Cc1cc(C)cc(N[C@H]2CS[C@@H](C)C2)c1 ZINC000086934308 487728389 /nfs/dbraw/zinc/72/83/89/487728389.db2.gz ARGSVIHLLALZIC-WCQYABFASA-N 0 0 221.369 3.609 20 0 BHADRN Cc1cc(C)cc(N[C@@H]2CS[C@@H](C)C2)c1 ZINC000086934309 487589745 /nfs/dbraw/zinc/58/97/45/487589745.db2.gz ARGSVIHLLALZIC-AAEUAGOBSA-N 0 0 221.369 3.609 20 0 BHADRN Cc1cc(C)cc(N[C@H]2CS[C@H](C)C2)c1 ZINC000086934310 487589573 /nfs/dbraw/zinc/58/95/73/487589573.db2.gz ARGSVIHLLALZIC-DGCLKSJQSA-N 0 0 221.369 3.609 20 0 BHADRN Cc1cc(C)cc(N[C@@H]2CS[C@H](C)C2)c1 ZINC000086934311 487589307 /nfs/dbraw/zinc/58/93/07/487589307.db2.gz ARGSVIHLLALZIC-YPMHNXCESA-N 0 0 221.369 3.609 20 0 BHADRN CCc1ccc(N[C@H]2CS[C@@H](C)C2)cc1 ZINC000086934320 487589983 /nfs/dbraw/zinc/58/99/83/487589983.db2.gz HDDAHZYTKZAHHH-GXFFZTMASA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccc(N[C@@H]2CS[C@@H](C)C2)cc1 ZINC000086934321 487589296 /nfs/dbraw/zinc/58/92/96/487589296.db2.gz HDDAHZYTKZAHHH-GWCFXTLKSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccc(N[C@H]2CS[C@H](C)C2)cc1 ZINC000086934322 487589896 /nfs/dbraw/zinc/58/98/96/487589896.db2.gz HDDAHZYTKZAHHH-ZWNOBZJWSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccc(N[C@@H]2CS[C@H](C)C2)cc1 ZINC000086934323 487589921 /nfs/dbraw/zinc/58/99/21/487589921.db2.gz HDDAHZYTKZAHHH-MFKMUULPSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccccc1N[C@H]1CS[C@@H](C)C1 ZINC000086934328 487589246 /nfs/dbraw/zinc/58/92/46/487589246.db2.gz IFDCPXNVOXERRQ-CMPLNLGQSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccccc1N[C@@H]1CS[C@@H](C)C1 ZINC000086934329 487589964 /nfs/dbraw/zinc/58/99/64/487589964.db2.gz IFDCPXNVOXERRQ-JQWIXIFHSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccccc1N[C@H]1CS[C@H](C)C1 ZINC000086934330 487589253 /nfs/dbraw/zinc/58/92/53/487589253.db2.gz IFDCPXNVOXERRQ-ZYHUDNBSSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccccc1N[C@@H]1CS[C@H](C)C1 ZINC000086934331 487589908 /nfs/dbraw/zinc/58/99/08/487589908.db2.gz IFDCPXNVOXERRQ-PWSUYJOCSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1cccc(N[C@H]2CS[C@@H](C)C2)c1 ZINC000086934350 487589545 /nfs/dbraw/zinc/58/95/45/487589545.db2.gz GWSRGZNCUBZZTP-GXFFZTMASA-N 0 0 221.369 3.555 20 0 BHADRN CCc1cccc(N[C@@H]2CS[C@@H](C)C2)c1 ZINC000086934351 487589242 /nfs/dbraw/zinc/58/92/42/487589242.db2.gz GWSRGZNCUBZZTP-GWCFXTLKSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1cccc(N[C@H]2CS[C@H](C)C2)c1 ZINC000086934352 487589914 /nfs/dbraw/zinc/58/99/14/487589914.db2.gz GWSRGZNCUBZZTP-ZWNOBZJWSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1cccc(N[C@@H]2CS[C@H](C)C2)c1 ZINC000086934353 487589327 /nfs/dbraw/zinc/58/93/27/487589327.db2.gz GWSRGZNCUBZZTP-MFKMUULPSA-N 0 0 221.369 3.555 20 0 BHADRN Cc1cccc(N[C@H]2CS[C@@H](C)C2)c1C ZINC000086934374 487589973 /nfs/dbraw/zinc/58/99/73/487589973.db2.gz QYKZVMLKTKXTMM-CMPLNLGQSA-N 0 0 221.369 3.609 20 0 BHADRN Cc1cccc(N[C@@H]2CS[C@@H](C)C2)c1C ZINC000086934375 487589881 /nfs/dbraw/zinc/58/98/81/487589881.db2.gz QYKZVMLKTKXTMM-JQWIXIFHSA-N 0 0 221.369 3.609 20 0 BHADRN Cc1cccc(N[C@H]2CS[C@H](C)C2)c1C ZINC000086934376 487589288 /nfs/dbraw/zinc/58/92/88/487589288.db2.gz QYKZVMLKTKXTMM-ZYHUDNBSSA-N 0 0 221.369 3.609 20 0 BHADRN Cc1cccc(N[C@@H]2CS[C@H](C)C2)c1C ZINC000086934377 487589767 /nfs/dbraw/zinc/58/97/67/487589767.db2.gz QYKZVMLKTKXTMM-PWSUYJOCSA-N 0 0 221.369 3.609 20 0 BHADRN Cc1ccc(C)c(N[C@H]2CS[C@@H](C)C2)c1 ZINC000086934382 487589952 /nfs/dbraw/zinc/58/99/52/487589952.db2.gz YXUVLXMTVTUVCG-NWDGAFQWSA-N 0 0 221.369 3.609 20 0 BHADRN Cc1ccc(C)c(N[C@@H]2CS[C@@H](C)C2)c1 ZINC000086934383 487589807 /nfs/dbraw/zinc/58/98/07/487589807.db2.gz YXUVLXMTVTUVCG-RYUDHWBXSA-N 0 0 221.369 3.609 20 0 BHADRN Cc1ccc(C)c(N[C@H]2CS[C@H](C)C2)c1 ZINC000086934384 487589490 /nfs/dbraw/zinc/58/94/90/487589490.db2.gz YXUVLXMTVTUVCG-VXGBXAGGSA-N 0 0 221.369 3.609 20 0 BHADRN Cc1ccc(C)c(N[C@@H]2CS[C@H](C)C2)c1 ZINC000086934385 487589712 /nfs/dbraw/zinc/58/97/12/487589712.db2.gz YXUVLXMTVTUVCG-NEPJUHHUSA-N 0 0 221.369 3.609 20 0 BHADRN CSc1ccccc1N[C@@H]1CS[C@H](C)C1 ZINC000086934950 487592010 /nfs/dbraw/zinc/59/20/10/487592010.db2.gz ACTUURUCENJEBD-ZJUUUORDSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccccc1N[C@@H]1CS[C@@H](C)C1 ZINC000086934951 487592144 /nfs/dbraw/zinc/59/21/44/487592144.db2.gz ACTUURUCENJEBD-UWVGGRQHSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccccc1N[C@H]1CS[C@H](C)C1 ZINC000086934952 487592156 /nfs/dbraw/zinc/59/21/56/487592156.db2.gz ACTUURUCENJEBD-NXEZZACHSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccccc1N[C@H]1CS[C@@H](C)C1 ZINC000086934953 487592095 /nfs/dbraw/zinc/59/20/95/487592095.db2.gz ACTUURUCENJEBD-VHSXEESVSA-N 0 0 239.409 3.714 20 0 BHADRN Cc1ccc(NC(=O)C=C2CCC2)cc1Cl ZINC000086963849 644473679 /nfs/dbraw/zinc/47/36/79/644473679.db2.gz HQVMHTNGRNFGAS-UHFFFAOYSA-N 0 0 235.714 3.697 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)C=C1CCC1 ZINC000086964057 187286091 /nfs/dbraw/zinc/28/60/91/187286091.db2.gz IUYPPIZPTMAPCN-UHFFFAOYSA-N 0 0 235.714 3.697 20 0 BHADRN Cc1ccc(NC(=O)C=C2CCC2)c(Cl)c1 ZINC000086964444 178721385 /nfs/dbraw/zinc/72/13/85/178721385.db2.gz RTIZNARRXWPSHZ-UHFFFAOYSA-N 0 0 235.714 3.697 20 0 BHADRN CC(C)c1ccc(NC(=O)C=C2CCC2)cc1 ZINC000086964620 635951514 /nfs/dbraw/zinc/95/15/14/635951514.db2.gz DCCJREPOEGYWMM-UHFFFAOYSA-N 0 0 229.323 3.859 20 0 BHADRN O=C(C=C1CCC1)Nc1ccc(F)cc1Cl ZINC000086964905 644475614 /nfs/dbraw/zinc/47/56/14/644475614.db2.gz PDNSEIWXMAGYAL-UHFFFAOYSA-N 0 0 239.677 3.528 20 0 BHADRN O=C(C=C1CCC1)Nc1ccc(F)c(Cl)c1 ZINC000086965208 635950359 /nfs/dbraw/zinc/95/03/59/635950359.db2.gz PKSDKZZSNSAVBX-UHFFFAOYSA-N 0 0 239.677 3.528 20 0 BHADRN O=C(C=C1CCC1)Nc1ccc(Cl)cc1F ZINC000086965368 181876217 /nfs/dbraw/zinc/87/62/17/181876217.db2.gz UGFWEXGYBICMTR-UHFFFAOYSA-N 0 0 239.677 3.528 20 0 BHADRN CCCC[S@@](=O)Cc1cccc2ccccc21 ZINC000086966629 169016477 /nfs/dbraw/zinc/01/64/77/169016477.db2.gz OMMUHVYXOAXUJE-KRWDZBQOSA-N 0 0 246.375 3.889 20 0 BHADRN CCCC[S@](=O)Cc1cccc2ccccc21 ZINC000086966630 169016929 /nfs/dbraw/zinc/01/69/29/169016929.db2.gz OMMUHVYXOAXUJE-QGZVFWFLSA-N 0 0 246.375 3.889 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)C=C1CCC1 ZINC000086970920 188318402 /nfs/dbraw/zinc/31/84/02/188318402.db2.gz MPYUFTDHZKZDOS-UHFFFAOYSA-N 0 0 235.714 3.697 20 0 BHADRN C[C@H](NC(=O)C=C1CCC1)c1ccccc1Cl ZINC000086999284 385062367 /nfs/dbraw/zinc/06/23/67/385062367.db2.gz CLKGCYYANCDURG-JTQLQIEISA-N 0 0 249.741 3.628 20 0 BHADRN C[C@@H](NC(=O)C=C1CCC1)c1ccccc1Cl ZINC000086999286 385064055 /nfs/dbraw/zinc/06/40/55/385064055.db2.gz 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233.355 3.527 20 0 BHADRN CC(C)(C)c1cccc(OCC2(O)CCCC2)c1 ZINC000087464028 383846024 /nfs/dbraw/zinc/84/60/24/383846024.db2.gz MGKZDIHDJZFEPT-UHFFFAOYSA-N 0 0 248.366 3.668 20 0 BHADRN Cc1ccc(C(C)C)c(OCC2(O)CCCC2)c1 ZINC000087464059 256572395 /nfs/dbraw/zinc/57/23/95/256572395.db2.gz FRGJUNQDCCKZRC-UHFFFAOYSA-N 0 0 248.366 3.802 20 0 BHADRN CC(C)(C)c1ccc(OCC2(O)CCCC2)cc1 ZINC000087464063 256572295 /nfs/dbraw/zinc/57/22/95/256572295.db2.gz ZAMWQRKIONVWHY-UHFFFAOYSA-N 0 0 248.366 3.668 20 0 BHADRN OC1(COc2cccc3ccccc32)CCCC1 ZINC000087464070 383845186 /nfs/dbraw/zinc/84/51/86/383845186.db2.gz JHUVJVYIKKCYQP-UHFFFAOYSA-N 0 0 242.318 3.524 20 0 BHADRN OC1(COc2ccc3ccccc3c2)CCCC1 ZINC000087464076 383845862 /nfs/dbraw/zinc/84/58/62/383845862.db2.gz KILXFZZBTNDRQA-UHFFFAOYSA-N 0 0 242.318 3.524 20 0 BHADRN CC[C@@H](C)c1ccccc1OCC1(O)CCCC1 ZINC000087464080 388520116 /nfs/dbraw/zinc/52/01/16/388520116.db2.gz MVTGEIPWNLEFBW-CYBMUJFWSA-N 0 0 248.366 3.884 20 0 BHADRN CC[C@H](C)c1ccccc1OCC1(O)CCCC1 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CC(C)c1nsc(N[C@H](C)c2ccccc2)n1 ZINC000087640349 359922524 /nfs/dbraw/zinc/92/25/24/359922524.db2.gz UHNGAVGHTXZFDW-SNVBAGLBSA-N 0 0 247.367 3.835 20 0 BHADRN C[C@H](Nc1nc(C2CC2)ns1)c1ccccc1 ZINC000087640350 359922656 /nfs/dbraw/zinc/92/26/56/359922656.db2.gz IZAMMEWHJQWVCP-VIFPVBQESA-N 0 0 245.351 3.589 20 0 BHADRN C[C@@H](Nc1nc(C2CC2)ns1)c1ccccc1 ZINC000087640351 135509261 /nfs/dbraw/zinc/50/92/61/135509261.db2.gz IZAMMEWHJQWVCP-SECBINFHSA-N 0 0 245.351 3.589 20 0 BHADRN CCCc1nsc(N[C@@H](C)c2ccccc2)n1 ZINC000087640352 359922620 /nfs/dbraw/zinc/92/26/20/359922620.db2.gz JYEWLVZEHVCHIK-JTQLQIEISA-N 0 0 247.367 3.664 20 0 BHADRN CCCc1nsc(N[C@H](C)c2ccccc2)n1 ZINC000087640353 359922636 /nfs/dbraw/zinc/92/26/36/359922636.db2.gz JYEWLVZEHVCHIK-SNVBAGLBSA-N 0 0 247.367 3.664 20 0 BHADRN Cc1ccc(CNc2nc(C(C)C)ns2)cc1 ZINC000087640534 359921775 /nfs/dbraw/zinc/92/17/75/359921775.db2.gz XADXATKFGCMACI-UHFFFAOYSA-N 0 0 247.367 3.582 20 0 BHADRN Cc1ccccc1CNc1nc(C(C)C)ns1 ZINC000087640709 359922481 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/nfs/dbraw/zinc/86/55/37/383865537.db2.gz XBYKKFQYHFGMPS-NSHDSACASA-N 0 0 219.328 3.686 20 0 BHADRN COc1ccccc1N[C@@H]1CCC(C)(C)C1 ZINC000087769247 384962425 /nfs/dbraw/zinc/96/24/25/384962425.db2.gz XBYKKFQYHFGMPS-LLVKDONJSA-N 0 0 219.328 3.686 20 0 BHADRN COc1cccc(N[C@H]2CCC(C)(C)C2)c1 ZINC000087769505 383864860 /nfs/dbraw/zinc/86/48/60/383864860.db2.gz RAUVOKZRHVCVTF-LBPRGKRZSA-N 0 0 219.328 3.686 20 0 BHADRN COc1cccc(N[C@@H]2CCC(C)(C)C2)c1 ZINC000087769507 256531578 /nfs/dbraw/zinc/53/15/78/256531578.db2.gz RAUVOKZRHVCVTF-GFCCVEGCSA-N 0 0 219.328 3.686 20 0 BHADRN COc1ccc(N[C@H]2CCC(C)(C)C2)cc1 ZINC000087769521 644501839 /nfs/dbraw/zinc/50/18/39/644501839.db2.gz DSZADLRKQOYFLY-LBPRGKRZSA-N 0 0 219.328 3.686 20 0 BHADRN COc1ccc(N[C@@H]2CCC(C)(C)C2)cc1 ZINC000087769523 644500045 /nfs/dbraw/zinc/50/00/45/644500045.db2.gz DSZADLRKQOYFLY-GFCCVEGCSA-N 0 0 219.328 3.686 20 0 BHADRN CCC(C)(C)Nc1cc(Cl)nc(C2CC2)n1 ZINC000087908499 343665106 /nfs/dbraw/zinc/66/51/06/343665106.db2.gz 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C[C@@H](CCO)SCc1cccc2ccccc21 ZINC000088057159 356470890 /nfs/dbraw/zinc/47/08/90/356470890.db2.gz ANNWNBOMUWRVKP-LBPRGKRZSA-N 0 0 246.375 3.844 20 0 BHADRN C[C@H](CCO)SCc1cccc2ccccc21 ZINC000088057160 356470594 /nfs/dbraw/zinc/47/05/94/356470594.db2.gz ANNWNBOMUWRVKP-GFCCVEGCSA-N 0 0 246.375 3.844 20 0 BHADRN Cc1ccc([C@@H](C)Nc2nc(C)cnc2C)s1 ZINC000088057886 641297152 /nfs/dbraw/zinc/29/71/52/641297152.db2.gz VRKHXEXWECKUTC-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1ccc([C@H](C)Nc2nc(C)cnc2C)s1 ZINC000088057887 641297914 /nfs/dbraw/zinc/29/79/14/641297914.db2.gz VRKHXEXWECKUTC-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN CCc1cc(N[C@@H](C)c2ccccc2)nc(C)n1 ZINC000088058172 359934424 /nfs/dbraw/zinc/93/44/24/359934424.db2.gz SUVYMJFJDJELFP-NSHDSACASA-N 0 0 241.338 3.521 20 0 BHADRN CCc1cc(N[C@H](C)c2ccccc2)nc(C)n1 ZINC000088058173 359933944 /nfs/dbraw/zinc/93/39/44/359933944.db2.gz SUVYMJFJDJELFP-LLVKDONJSA-N 0 0 241.338 3.521 20 0 BHADRN CCOc1ccc(OCC)c(NCC2CCC2)c1 ZINC000088133105 383879576 /nfs/dbraw/zinc/87/95/76/383879576.db2.gz RCVBIBXDWOSWTJ-UHFFFAOYSA-N 0 0 249.354 3.696 20 0 BHADRN FC(F)(F)Oc1ccc(NCC2CCC2)cc1 ZINC000088133114 641318244 /nfs/dbraw/zinc/31/82/44/641318244.db2.gz MQXNZBPAQCRBJV-UHFFFAOYSA-N 0 0 245.244 3.797 20 0 BHADRN FC(F)(F)Oc1ccccc1NCC1CCC1 ZINC000088133120 384223558 /nfs/dbraw/zinc/22/35/58/384223558.db2.gz IMOGYDLHADXAMG-UHFFFAOYSA-N 0 0 245.244 3.797 20 0 BHADRN FC(F)(F)Oc1cccc(NCC2CCC2)c1 ZINC000088133126 256546275 /nfs/dbraw/zinc/54/62/75/256546275.db2.gz VZAXSGZODNGZMI-UHFFFAOYSA-N 0 0 245.244 3.797 20 0 BHADRN O=Cc1c(OCC2CCC2)ccc2ccccc21 ZINC000088133289 641318257 /nfs/dbraw/zinc/31/82/57/641318257.db2.gz ZIAQHOXARAQQHG-UHFFFAOYSA-N 0 0 240.302 3.831 20 0 BHADRN Cc1ccc(CNc2cccc(Cl)c2)nc1 ZINC000088134833 351624179 /nfs/dbraw/zinc/62/41/79/351624179.db2.gz WWJUANJPNIELGL-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN Cc1ccc(CNc2ccc(Cl)cc2)nc1 ZINC000088134837 133550511 /nfs/dbraw/zinc/55/05/11/133550511.db2.gz 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CC[C@H](C)COc1cccc2c1CCCC2=O ZINC000088152659 384231348 /nfs/dbraw/zinc/23/13/48/384231348.db2.gz CMAURUYXJZJIRT-NSHDSACASA-N 0 0 232.323 3.631 20 0 BHADRN CC(C)=CCOc1cccc2c1CCCC2=O ZINC000088152674 383881820 /nfs/dbraw/zinc/88/18/20/383881820.db2.gz XOIFGTMYMDQBLA-UHFFFAOYSA-N 0 0 230.307 3.551 20 0 BHADRN CC[C@@H](C)C(=O)N1C[C@H](C)Sc2ccccc21 ZINC000088221882 383888849 /nfs/dbraw/zinc/88/88/49/383888849.db2.gz ADFRJWGRURYRKB-MNOVXSKESA-N 0 0 249.379 3.560 20 0 BHADRN CC[C@H](C)C(=O)N1C[C@H](C)Sc2ccccc21 ZINC000088221883 384038058 /nfs/dbraw/zinc/03/80/58/384038058.db2.gz ADFRJWGRURYRKB-QWRGUYRKSA-N 0 0 249.379 3.560 20 0 BHADRN CC[C@@H](C)C(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000088221884 256580751 /nfs/dbraw/zinc/58/07/51/256580751.db2.gz ADFRJWGRURYRKB-GHMZBOCLSA-N 0 0 249.379 3.560 20 0 BHADRN CC[C@H](C)C(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000088221885 384039900 /nfs/dbraw/zinc/03/99/00/384039900.db2.gz ADFRJWGRURYRKB-WDEREUQCSA-N 0 0 249.379 3.560 20 0 BHADRN CC[C@@H](C)Nc1nc2c(cccc2C)s1 ZINC000088225290 644513637 /nfs/dbraw/zinc/51/36/37/644513637.db2.gz YHDVKRWTSVWMOP-SECBINFHSA-N 0 0 220.341 3.815 20 0 BHADRN CC[C@H](C)Nc1nc2c(cccc2C)s1 ZINC000088225291 644513073 /nfs/dbraw/zinc/51/30/73/644513073.db2.gz YHDVKRWTSVWMOP-VIFPVBQESA-N 0 0 220.341 3.815 20 0 BHADRN CCCCNc1nc2c(cccc2C)s1 ZINC000088225292 644512710 /nfs/dbraw/zinc/51/27/10/644512710.db2.gz PAIDSVMJCYNTMI-UHFFFAOYSA-N 0 0 220.341 3.817 20 0 BHADRN CC/C=C(/C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000088233605 644514307 /nfs/dbraw/zinc/51/43/07/644514307.db2.gz HARBVSUDYVUFHR-HUMZTAOYSA-N 0 0 249.329 3.668 20 0 BHADRN CCCCC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000088234852 256591017 /nfs/dbraw/zinc/59/10/17/256591017.db2.gz CKUGLDNDKWWXRH-LLVKDONJSA-N 0 0 237.318 3.502 20 0 BHADRN C/C=C/C(=O)N(CCCCC)CCCCC ZINC000088238630 644515052 /nfs/dbraw/zinc/51/50/52/644515052.db2.gz PXXNHBQQQOBGHE-IZZDOVSWSA-N 0 0 225.376 3.772 20 0 BHADRN CCCC(=O)N1CC(C)(C)Sc2ccccc21 ZINC000088240488 383888635 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ZINC000088747193 383921168 /nfs/dbraw/zinc/92/11/68/383921168.db2.gz RALOJCKBQFYVPT-ZYHUDNBSSA-N 0 0 237.293 3.724 20 0 BHADRN COc1ccc([C@H](C)[NH2+][C@H]2CC=CCC2)c(F)c1 ZINC000088747526 383921183 /nfs/dbraw/zinc/92/11/83/383921183.db2.gz HFSKVYGAGOLEKB-RYUDHWBXSA-N 0 0 249.329 3.594 20 0 BHADRN COc1ccc([C@@H](C)[NH2+][C@H]2CC=CCC2)c(F)c1 ZINC000088747527 383921109 /nfs/dbraw/zinc/92/11/09/383921109.db2.gz HFSKVYGAGOLEKB-NEPJUHHUSA-N 0 0 249.329 3.594 20 0 BHADRN CCc1cc(N[C@H](C)c2cccs2)nc(C)n1 ZINC000088760142 491108262 /nfs/dbraw/zinc/10/82/62/491108262.db2.gz SLDRPHOKYWVKFQ-SECBINFHSA-N 0 0 247.367 3.582 20 0 BHADRN CCc1cc(N[C@@H](C)c2ccsc2)nc(C)n1 ZINC000088760386 491108490 /nfs/dbraw/zinc/10/84/90/491108490.db2.gz DGADTYBAHQEVCO-VIFPVBQESA-N 0 0 247.367 3.582 20 0 BHADRN CCc1cc(N[C@H](C)c2ccsc2)nc(C)n1 ZINC000088760387 491108524 /nfs/dbraw/zinc/10/85/24/491108524.db2.gz DGADTYBAHQEVCO-SECBINFHSA-N 0 0 247.367 3.582 20 0 BHADRN Cc1ccc(Cl)cc1OCC[C@@H]1CCCO1 ZINC000088764807 383922328 /nfs/dbraw/zinc/92/23/28/383922328.db2.gz IHDIPSYVCJWSEJ-LBPRGKRZSA-N 0 0 240.730 3.596 20 0 BHADRN Cc1ccc(Cl)cc1OCC[C@H]1CCCO1 ZINC000088764810 256814013 /nfs/dbraw/zinc/81/40/13/256814013.db2.gz IHDIPSYVCJWSEJ-GFCCVEGCSA-N 0 0 240.730 3.596 20 0 BHADRN Cc1cc(COc2cc(Cl)ccc2C)on1 ZINC000088764868 178049497 /nfs/dbraw/zinc/04/94/97/178049497.db2.gz UNXQFBSOCXFTHK-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN Cc1cc(COc2cc(Cl)ccc2C)no1 ZINC000088764871 178048615 /nfs/dbraw/zinc/04/86/15/178048615.db2.gz NHXQZKDIZBPHEE-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN Cc1ccc(Cl)cc1OCCC(F)(F)F ZINC000088765176 383923531 /nfs/dbraw/zinc/92/35/31/383923531.db2.gz DVSYLKJWFAULMG-UHFFFAOYSA-N 0 0 238.636 3.980 20 0 BHADRN Cc1ccc(Cl)cc1OCc1ccccn1 ZINC000088765266 359977647 /nfs/dbraw/zinc/97/76/47/359977647.db2.gz LYFNQKFMNGMHDQ-UHFFFAOYSA-N 0 0 233.698 3.622 20 0 BHADRN Cc1ccc(Cl)cc1OCc1cccnc1 ZINC000088765317 135526694 /nfs/dbraw/zinc/52/66/94/135526694.db2.gz JUAHYKOQQZUROK-UHFFFAOYSA-N 0 0 233.698 3.622 20 0 BHADRN O=C(C=C1CCC1)OCc1ccc(Cl)s1 ZINC000088807575 641392433 /nfs/dbraw/zinc/39/24/33/641392433.db2.gz JNIMOZXAZXUSMA-UHFFFAOYSA-N 0 0 242.727 3.555 20 0 BHADRN Cc1nc(C)c(CNc2ccc(C)cc2C)s1 ZINC000088867245 351881356 /nfs/dbraw/zinc/88/13/56/351881356.db2.gz OUTLTAWXDLCQCP-UHFFFAOYSA-N 0 0 246.379 3.989 20 0 BHADRN CCc1ccccc1NCc1sc(C)nc1C ZINC000088867362 535963860 /nfs/dbraw/zinc/96/38/60/535963860.db2.gz HNGFLOBKWKZQSK-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN Cc1nc(C)c(CNc2cc(C)ccc2C)s1 ZINC000088867367 359980565 /nfs/dbraw/zinc/98/05/65/359980565.db2.gz DASINDUUSIMHNF-UHFFFAOYSA-N 0 0 246.379 3.989 20 0 BHADRN Cc1ncsc1CNc1ccc2c(c1)CCC2 ZINC000088868763 180323317 /nfs/dbraw/zinc/32/33/17/180323317.db2.gz OOJBCHGPTNOIBW-UHFFFAOYSA-N 0 0 244.363 3.552 20 0 BHADRN Cc1ncsc1CNc1c(C)cc(C)cc1C ZINC000088869688 177866842 /nfs/dbraw/zinc/86/68/42/177866842.db2.gz VUXFEEMLTXDRFK-UHFFFAOYSA-N 0 0 246.379 3.989 20 0 BHADRN CCc1cccc(C)c1NCc1scnc1C ZINC000088869690 383928474 /nfs/dbraw/zinc/92/84/74/383928474.db2.gz WRNRLTBJDUNJOV-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CC(C)(C)c1ccccc1C(=O)N1CCCCC1 ZINC000089064013 359985535 /nfs/dbraw/zinc/98/55/35/359985535.db2.gz VUYNKIYLVXNJRU-UHFFFAOYSA-N 0 0 245.366 3.610 20 0 BHADRN C[C@@H](CO)CSCc1cccc2ccccc21 ZINC000089081672 259305587 /nfs/dbraw/zinc/30/55/87/259305587.db2.gz JDARYQFSTXZUEM-LBPRGKRZSA-N 0 0 246.375 3.701 20 0 BHADRN C[C@H](CO)CSCc1cccc2ccccc21 ZINC000089081676 383930532 /nfs/dbraw/zinc/93/05/32/383930532.db2.gz JDARYQFSTXZUEM-GFCCVEGCSA-N 0 0 246.375 3.701 20 0 BHADRN CC(C)(C)c1noc(-c2cccc3[nH]ccc32)n1 ZINC000089101076 325663610 /nfs/dbraw/zinc/66/36/10/325663610.db2.gz BNXRUHHAMHKGCO-UHFFFAOYSA-N 0 0 241.294 3.515 20 0 BHADRN CCNc1ccc2nc(C3CC3)sc2c1 ZINC000089104331 388542636 /nfs/dbraw/zinc/54/26/36/388542636.db2.gz ORZYMGBJFLUFQN-UHFFFAOYSA-N 0 0 218.325 3.606 20 0 BHADRN CC[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000089104357 325663988 /nfs/dbraw/zinc/66/39/88/325663988.db2.gz VFOGJBOYQSQPPL-KRWDZBQOSA-N 0 0 244.359 3.545 20 0 BHADRN CC[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000089104358 388736477 /nfs/dbraw/zinc/73/64/77/388736477.db2.gz VFOGJBOYQSQPPL-QGZVFWFLSA-N 0 0 244.359 3.545 20 0 BHADRN C=CCNc1cc(Cl)c(OC)c(Cl)c1 ZINC000089104416 644533839 /nfs/dbraw/zinc/53/38/39/644533839.db2.gz URIUAYKSNBBBNQ-UHFFFAOYSA-N 0 0 232.110 3.600 20 0 BHADRN CCNc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000089116887 383936200 /nfs/dbraw/zinc/93/62/00/383936200.db2.gz XKXPLJHUHUZOJD-UHFFFAOYSA-N 0 0 248.713 3.959 20 0 BHADRN Cc1cccc(C)c1Nc1cnc2ccccn12 ZINC000089201146 179045215 /nfs/dbraw/zinc/04/52/15/179045215.db2.gz BFHYVWBDMUQOOK-UHFFFAOYSA-N 0 0 237.306 3.695 20 0 BHADRN Cc1cc(C)c(C(=O)N[C@@H](C)CC(C)C)c(C)c1 ZINC000089236036 325664349 /nfs/dbraw/zinc/66/43/49/325664349.db2.gz KBXGGIHWRKCVQQ-AWEZNQCLSA-N 0 0 247.382 3.776 20 0 BHADRN Cc1cc(C)c(C(=O)N[C@H](C)CC(C)C)c(C)c1 ZINC000089236037 325664423 /nfs/dbraw/zinc/66/44/23/325664423.db2.gz KBXGGIHWRKCVQQ-CQSZACIVSA-N 0 0 247.382 3.776 20 0 BHADRN Cc1cc(C)c(C(=O)N[C@@H](C)C2CCC2)c(C)c1 ZINC000089237130 491109966 /nfs/dbraw/zinc/10/99/66/491109966.db2.gz UKDMEFPCWZYJDD-ZDUSSCGKSA-N 0 0 245.366 3.530 20 0 BHADRN Cc1cc(C)c(C(=O)N[C@H](C)C2CCC2)c(C)c1 ZINC000089237131 491109994 /nfs/dbraw/zinc/10/99/94/491109994.db2.gz UKDMEFPCWZYJDD-CYBMUJFWSA-N 0 0 245.366 3.530 20 0 BHADRN CCCC[C@@H](C)OC(=O)C=C1CCSCC1 ZINC000089241303 644539478 /nfs/dbraw/zinc/53/94/78/644539478.db2.gz DIKBRDSMVLTCJC-LLVKDONJSA-N 0 0 242.384 3.562 20 0 BHADRN CCCC[C@H](C)OC(=O)C=C1CCSCC1 ZINC000089241305 644538879 /nfs/dbraw/zinc/53/88/79/644538879.db2.gz DIKBRDSMVLTCJC-NSHDSACASA-N 0 0 242.384 3.562 20 0 BHADRN CCC[C@@H](CC)OC(=O)C=C1CCSCC1 ZINC000089241337 644538912 /nfs/dbraw/zinc/53/89/12/644538912.db2.gz PWHJCXGAQGIPLL-GFCCVEGCSA-N 0 0 242.384 3.562 20 0 BHADRN CCC[C@H](CC)OC(=O)C=C1CCSCC1 ZINC000089241340 644538921 /nfs/dbraw/zinc/53/89/21/644538921.db2.gz PWHJCXGAQGIPLL-LBPRGKRZSA-N 0 0 242.384 3.562 20 0 BHADRN CC(=O)O[C@@H](C)c1cc(Cl)ccc1Cl ZINC000089309352 644540727 /nfs/dbraw/zinc/54/07/27/644540727.db2.gz QQCNSGHNXXFFSI-LURJTMIESA-N 0 0 233.094 3.618 20 0 BHADRN C=CCC[C@H](C)OC(=O)[C@@H](C)c1ccsc1 ZINC000089318582 644542544 /nfs/dbraw/zinc/54/25/44/644542544.db2.gz XEEGTONHNVDNBN-QWRGUYRKSA-N 0 0 238.352 3.750 20 0 BHADRN C=CCC[C@@H](C)OC(=O)[C@@H](C)c1ccsc1 ZINC000089318584 644541872 /nfs/dbraw/zinc/54/18/72/644541872.db2.gz XEEGTONHNVDNBN-MNOVXSKESA-N 0 0 238.352 3.750 20 0 BHADRN C=CCC[C@H](C)OC(=O)[C@H](C)c1ccsc1 ZINC000089318587 644542328 /nfs/dbraw/zinc/54/23/28/644542328.db2.gz XEEGTONHNVDNBN-WDEREUQCSA-N 0 0 238.352 3.750 20 0 BHADRN C=CCC[C@@H](C)OC(=O)[C@H](C)c1ccsc1 ZINC000089318590 644542114 /nfs/dbraw/zinc/54/21/14/644542114.db2.gz XEEGTONHNVDNBN-GHMZBOCLSA-N 0 0 238.352 3.750 20 0 BHADRN CCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000089355713 135534107 /nfs/dbraw/zinc/53/41/07/135534107.db2.gz JLARRKSTUSKPIY-OAHLLOKOSA-N 0 0 245.366 3.884 20 0 BHADRN CCC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000089355715 360012421 /nfs/dbraw/zinc/01/24/21/360012421.db2.gz JLARRKSTUSKPIY-HNNXBMFYSA-N 0 0 245.366 3.884 20 0 BHADRN CCC(CC)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089409881 168340967 /nfs/dbraw/zinc/34/09/67/168340967.db2.gz FSRUEAIYWUYOMX-UHFFFAOYSA-N 0 0 247.338 3.572 20 0 BHADRN CCC(C)(C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089410519 168268775 /nfs/dbraw/zinc/26/87/75/168268775.db2.gz FQHREUXLQNETJM-UHFFFAOYSA-N 0 0 247.338 3.572 20 0 BHADRN C[C@@H]1CSC(SC/C=C/c2ccccc2)=N1 ZINC000089522194 176348864 /nfs/dbraw/zinc/34/88/64/176348864.db2.gz WRHVZPWDUSFWBG-AYLMVEPYSA-N 0 0 249.404 3.924 20 0 BHADRN C[C@H]1CSC(SC/C=C/c2ccccc2)=N1 ZINC000089522195 177303439 /nfs/dbraw/zinc/30/34/39/177303439.db2.gz WRHVZPWDUSFWBG-BWNDKRECSA-N 0 0 249.404 3.924 20 0 BHADRN Cc1ccccc1CSC1=N[C@H](C)CS1 ZINC000089522291 179287052 /nfs/dbraw/zinc/28/70/52/179287052.db2.gz BKZLTOXGCHMOSD-SNVBAGLBSA-N 0 0 237.393 3.720 20 0 BHADRN Cc1ccccc1CSC1=N[C@@H](C)CS1 ZINC000089522292 179287704 /nfs/dbraw/zinc/28/77/04/179287704.db2.gz BKZLTOXGCHMOSD-JTQLQIEISA-N 0 0 237.393 3.720 20 0 BHADRN C[C@@H]1CSC(SCc2ccccc2F)=N1 ZINC000089522430 176349111 /nfs/dbraw/zinc/34/91/11/176349111.db2.gz KKGCNVDGCYRLJI-MRVPVSSYSA-N 0 0 241.356 3.550 20 0 BHADRN C[C@H]1CSC(SCc2ccccc2F)=N1 ZINC000089522431 177303260 /nfs/dbraw/zinc/30/32/60/177303260.db2.gz KKGCNVDGCYRLJI-QMMMGPOBSA-N 0 0 241.356 3.550 20 0 BHADRN C[C@H](SC1=N[C@H](C)CS1)c1ccccc1 ZINC000089522624 177026439 /nfs/dbraw/zinc/02/64/39/177026439.db2.gz AECLNGULGGSKDQ-ZJUUUORDSA-N 0 0 237.393 3.972 20 0 BHADRN C[C@H](SC1=N[C@@H](C)CS1)c1ccccc1 ZINC000089522626 177302938 /nfs/dbraw/zinc/30/29/38/177302938.db2.gz AECLNGULGGSKDQ-UWVGGRQHSA-N 0 0 237.393 3.972 20 0 BHADRN C[C@@H](SC1=N[C@H](C)CS1)c1ccccc1 ZINC000089522633 176348828 /nfs/dbraw/zinc/34/88/28/176348828.db2.gz AECLNGULGGSKDQ-NXEZZACHSA-N 0 0 237.393 3.972 20 0 BHADRN C[C@@H](SC1=N[C@@H](C)CS1)c1ccccc1 ZINC000089522637 177303032 /nfs/dbraw/zinc/30/30/32/177303032.db2.gz AECLNGULGGSKDQ-VHSXEESVSA-N 0 0 237.393 3.972 20 0 BHADRN Cc1cccc(CSC2=N[C@H](C)CS2)c1 ZINC000089523658 383973775 /nfs/dbraw/zinc/97/37/75/383973775.db2.gz WSOKQAUHOUVBDQ-SNVBAGLBSA-N 0 0 237.393 3.720 20 0 BHADRN Cc1cccc(CSC2=N[C@@H](C)CS2)c1 ZINC000089523660 383973795 /nfs/dbraw/zinc/97/37/95/383973795.db2.gz WSOKQAUHOUVBDQ-JTQLQIEISA-N 0 0 237.393 3.720 20 0 BHADRN C[C@@H]1CSC(SCc2cccc(F)c2)=N1 ZINC000089524051 176349426 /nfs/dbraw/zinc/34/94/26/176349426.db2.gz JLHSGBJBRNTSII-MRVPVSSYSA-N 0 0 241.356 3.550 20 0 BHADRN C[C@H]1CSC(SCc2cccc(F)c2)=N1 ZINC000089524053 177303232 /nfs/dbraw/zinc/30/32/32/177303232.db2.gz JLHSGBJBRNTSII-QMMMGPOBSA-N 0 0 241.356 3.550 20 0 BHADRN C[C@@H]1CSC(SCC2CCCCC2)=N1 ZINC000089524377 641819939 /nfs/dbraw/zinc/81/99/39/641819939.db2.gz UYRLTYNLDRAKSK-SECBINFHSA-N 0 0 229.414 3.791 20 0 BHADRN C[C@H]1CSC(SCC2CCCCC2)=N1 ZINC000089524379 641820492 /nfs/dbraw/zinc/82/04/92/641820492.db2.gz UYRLTYNLDRAKSK-VIFPVBQESA-N 0 0 229.414 3.791 20 0 BHADRN Cc1ccc(CSC2=N[C@H](C)CS2)cc1 ZINC000089524999 178644266 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246.741 3.680 20 0 BHADRN CC1CCC(N(C)c2ccc(Cl)cn2)CC1 ZINC000090345203 384719409 /nfs/dbraw/zinc/71/94/09/384719409.db2.gz LLHPLTFBBMEZPA-UHFFFAOYSA-N 0 0 238.762 3.750 20 0 BHADRN CN(CC1CCCCC1)c1ccc(Cl)cn1 ZINC000090345210 256559332 /nfs/dbraw/zinc/55/93/32/256559332.db2.gz GWHHXRJJQTWXCJ-UHFFFAOYSA-N 0 0 238.762 3.752 20 0 BHADRN C[C@@H]1CCC[C@H](N(C)c2ccc(Cl)cn2)C1 ZINC000090345211 256558929 /nfs/dbraw/zinc/55/89/29/256558929.db2.gz FRTWRLCRXYHHCL-PWSUYJOCSA-N 0 0 238.762 3.750 20 0 BHADRN C[C@H]1CCC[C@H](N(C)c2ccc(Cl)cn2)C1 ZINC000090345212 384719317 /nfs/dbraw/zinc/71/93/17/384719317.db2.gz FRTWRLCRXYHHCL-JQWIXIFHSA-N 0 0 238.762 3.750 20 0 BHADRN C[C@@H]1CCC[C@@H](N(C)c2ccc(Cl)cn2)C1 ZINC000090345213 256558756 /nfs/dbraw/zinc/55/87/56/256558756.db2.gz FRTWRLCRXYHHCL-ZYHUDNBSSA-N 0 0 238.762 3.750 20 0 BHADRN C[C@H]1CCC[C@@H](N(C)c2ccc(Cl)cn2)C1 ZINC000090345214 384718190 /nfs/dbraw/zinc/71/81/90/384718190.db2.gz FRTWRLCRXYHHCL-CMPLNLGQSA-N 0 0 238.762 3.750 20 0 BHADRN 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384719041 /nfs/dbraw/zinc/71/90/41/384719041.db2.gz NHEOGVBXWLRDNY-NSHDSACASA-N 0 0 238.762 3.752 20 0 BHADRN CC1(C)CCCN(c2ccc(Cl)cn2)CC1 ZINC000090345685 256558856 /nfs/dbraw/zinc/55/88/56/256558856.db2.gz AJBIXTCICHQPBJ-UHFFFAOYSA-N 0 0 238.762 3.752 20 0 BHADRN CC(=O)c1cc(F)ccc1OCCC(C)(C)C ZINC000090349211 384708555 /nfs/dbraw/zinc/70/85/55/384708555.db2.gz BZORDBBKQLPEMS-UHFFFAOYSA-N 0 0 238.302 3.843 20 0 BHADRN CC(=O)c1ccc(OCCC(C)(C)C)c(F)c1 ZINC000090349216 384707477 /nfs/dbraw/zinc/70/74/77/384707477.db2.gz MXMUHOQBDXMGQM-UHFFFAOYSA-N 0 0 238.302 3.843 20 0 BHADRN COC(CSc1ccc2ccccc2c1)OC ZINC000090358950 384042343 /nfs/dbraw/zinc/04/23/43/384042343.db2.gz SYOASLXHDLKZIG-UHFFFAOYSA-N 0 0 248.347 3.551 20 0 BHADRN CC/C=C/CCOC(=O)CCc1ccccc1 ZINC000090372847 644589208 /nfs/dbraw/zinc/58/92/08/644589208.db2.gz AIYOLSZNDXXKPH-ONEGZZNKSA-N 0 0 232.323 3.519 20 0 BHADRN Cc1cc(C)c(Nc2cccnc2)c(C)c1 ZINC000090376300 177867155 /nfs/dbraw/zinc/86/71/55/177867155.db2.gz 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CC(C)C[C@H](NCc1ccon1)c1ccccc1 ZINC000093978122 188319196 /nfs/dbraw/zinc/31/91/96/188319196.db2.gz KPFSOQDNWCEJDT-HNNXBMFYSA-N 0 0 244.338 3.552 20 0 BHADRN CC(C)C[C@@H](NCc1ccon1)c1ccccc1 ZINC000093978123 384285399 /nfs/dbraw/zinc/28/53/99/384285399.db2.gz KPFSOQDNWCEJDT-OAHLLOKOSA-N 0 0 244.338 3.552 20 0 BHADRN CN(c1ncc(Cl)cc1F)C1CCCCC1 ZINC000094052843 384685763 /nfs/dbraw/zinc/68/57/63/384685763.db2.gz RQIAZEQXLZLAOT-UHFFFAOYSA-N 0 0 242.725 3.643 20 0 BHADRN CCCCN(CC)c1ncc(Cl)cc1F ZINC000094052869 384685267 /nfs/dbraw/zinc/68/52/67/384685267.db2.gz LYCNDNMTGXJBMZ-UHFFFAOYSA-N 0 0 230.714 3.501 20 0 BHADRN Fc1cc(Cl)cnc1N1CCCCCCC1 ZINC000094052890 635173934 /nfs/dbraw/zinc/17/39/34/635173934.db2.gz WTMDENXISWOKDM-UHFFFAOYSA-N 0 0 242.725 3.645 20 0 BHADRN CC[C@@H]1CCCCN1c1ncc(Cl)cc1F ZINC000094052906 132238881 /nfs/dbraw/zinc/23/88/81/132238881.db2.gz INQTVIREJDRZHC-SNVBAGLBSA-N 0 0 242.725 3.643 20 0 BHADRN CC[C@H]1CCCCN1c1ncc(Cl)cc1F ZINC000094052907 132238943 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CC[C@@H]1CCCCN1C(=O)c1ccc(C)cc1F ZINC000094195557 323188567 /nfs/dbraw/zinc/18/85/67/323188567.db2.gz DOPXBIHEFVDNQT-GFCCVEGCSA-N 0 0 249.329 3.539 20 0 BHADRN CC[C@H]1CCCCN1C(=O)c1ccc(C)cc1F ZINC000094195558 323188504 /nfs/dbraw/zinc/18/85/04/323188504.db2.gz DOPXBIHEFVDNQT-LBPRGKRZSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1ccc(C(=O)N(C)C2CCCCC2)c(F)c1 ZINC000094195560 178374814 /nfs/dbraw/zinc/37/48/14/178374814.db2.gz DHSUZJGFXFFZSA-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1cccc(NC(=O)c2ccc(C)cc2F)c1 ZINC000094195574 323188526 /nfs/dbraw/zinc/18/85/26/323188526.db2.gz JYLFWPWMUIBNRD-UHFFFAOYSA-N 0 0 243.281 3.695 20 0 BHADRN Cc1ccc(C(=O)Nc2ccccc2C)c(F)c1 ZINC000094195575 360299824 /nfs/dbraw/zinc/29/98/24/360299824.db2.gz LBFUBVOYGMAMFM-UHFFFAOYSA-N 0 0 243.281 3.695 20 0 BHADRN Cc1ccc(C(=O)Nc2ccc(F)cc2)c(F)c1 ZINC000094195581 323188486 /nfs/dbraw/zinc/18/84/86/323188486.db2.gz FYOZYPBVPWDIKI-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN Cc1ccc(NC(=O)c2ccc(C)cc2F)cc1 ZINC000094195586 323188561 /nfs/dbraw/zinc/18/85/61/323188561.db2.gz GLVZCYMBKYQUTI-UHFFFAOYSA-N 0 0 243.281 3.695 20 0 BHADRN Cc1ccc(C(=O)Nc2cccc(F)c2)c(F)c1 ZINC000094195590 323188488 /nfs/dbraw/zinc/18/84/88/323188488.db2.gz SDOVSBCEMFYWCW-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN Cc1ccc(C(=O)OC2CCCCC2)c(F)c1 ZINC000094195602 631574781 /nfs/dbraw/zinc/57/47/81/631574781.db2.gz KNVLQLGFYQLCIK-UHFFFAOYSA-N 0 0 236.286 3.624 20 0 BHADRN Cc1ccc(C(=O)Nc2ccccc2F)c(F)c1 ZINC000094195607 325770107 /nfs/dbraw/zinc/77/01/07/325770107.db2.gz GQCKKVGDFAMXHW-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN Cc1ccc(C(=O)NC2CCCCCC2)c(F)c1 ZINC000094195678 323188544 /nfs/dbraw/zinc/18/85/44/323188544.db2.gz QIQVECRFHASXRX-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN Cc1ccc(C(=O)N2CCCCCCC2)c(F)c1 ZINC000094195713 644712945 /nfs/dbraw/zinc/71/29/45/644712945.db2.gz XUOLXFHGJHMVIR-UHFFFAOYSA-N 0 0 249.329 3.540 20 0 BHADRN Cc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c(F)c1 ZINC000094196029 323188520 /nfs/dbraw/zinc/18/85/20/323188520.db2.gz WOWVJMITRCOTBQ-TXEJJXNPSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c(F)c1 ZINC000094196030 323188570 /nfs/dbraw/zinc/18/85/70/323188570.db2.gz WOWVJMITRCOTBQ-RYUDHWBXSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)c(F)c1 ZINC000094196031 323188490 /nfs/dbraw/zinc/18/84/90/323188490.db2.gz WOWVJMITRCOTBQ-VXGBXAGGSA-N 0 0 249.329 3.537 20 0 BHADRN CCN(C(=O)c1ccc(C)cc1F)C1CCCC1 ZINC000094196122 169657281 /nfs/dbraw/zinc/65/72/81/169657281.db2.gz NHZCKTGYRNGHNL-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN CCCCN(C(=O)c1ccc(C)cc1F)C1CC1 ZINC000094197209 168757559 /nfs/dbraw/zinc/75/75/59/168757559.db2.gz DEUZMFKTBGYAGQ-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1ccc(C(=O)NC2(C)CCCCC2)c(F)c1 ZINC000094205217 386937931 /nfs/dbraw/zinc/93/79/31/386937931.db2.gz AWLWWJGHHGKUOR-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN Cc1ccc(C(=O)N2CCCCC[C@@H]2C)c(F)c1 ZINC000094216869 360301221 /nfs/dbraw/zinc/30/12/21/360301221.db2.gz MUEABEJRXRBJHD-LBPRGKRZSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1ccc(C(=O)N2CCCCC[C@H]2C)c(F)c1 ZINC000094216870 135610979 /nfs/dbraw/zinc/61/09/79/135610979.db2.gz MUEABEJRXRBJHD-GFCCVEGCSA-N 0 0 249.329 3.539 20 0 BHADRN CCc1ccccc1CNc1ccncc1Cl ZINC000094267066 386446784 /nfs/dbraw/zinc/44/67/84/386446784.db2.gz CLENYUIULAXWAO-UHFFFAOYSA-N 0 0 246.741 3.910 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1ncnc2sccc21 ZINC000094267179 353510764 /nfs/dbraw/zinc/51/07/64/353510764.db2.gz FKBWCZOWMRBQLE-JTQLQIEISA-N 0 0 247.367 3.682 20 0 BHADRN CC1(C)CCC[C@H]1Nc1ncnc2sccc21 ZINC000094267180 167914991 /nfs/dbraw/zinc/91/49/91/167914991.db2.gz FKBWCZOWMRBQLE-SNVBAGLBSA-N 0 0 247.367 3.682 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1ncnc2ccsc21 ZINC000094267183 360302084 /nfs/dbraw/zinc/30/20/84/360302084.db2.gz YHFCZSXXZXXDGC-JTQLQIEISA-N 0 0 247.367 3.682 20 0 BHADRN CC1(C)CCC[C@H]1Nc1ncnc2ccsc21 ZINC000094267184 535308692 /nfs/dbraw/zinc/30/86/92/535308692.db2.gz YHFCZSXXZXXDGC-SNVBAGLBSA-N 0 0 247.367 3.682 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1nc2ccccc2o1 ZINC000094267185 353510488 /nfs/dbraw/zinc/51/04/88/353510488.db2.gz KNIJXCOPDUTJNN-LBPRGKRZSA-N 0 0 230.311 3.818 20 0 BHADRN CC1(C)CCC[C@H]1Nc1nc2ccccc2o1 ZINC000094267186 167915529 /nfs/dbraw/zinc/91/55/29/167915529.db2.gz KNIJXCOPDUTJNN-GFCCVEGCSA-N 0 0 230.311 3.818 20 0 BHADRN CC(C)c1cc(N[C@@H]2CCCC2(C)C)ncn1 ZINC000094267219 386941478 /nfs/dbraw/zinc/94/14/78/386941478.db2.gz PDCSJRHDMYKAND-GFCCVEGCSA-N 0 0 233.359 3.591 20 0 BHADRN CC(C)c1cc(N[C@H]2CCCC2(C)C)ncn1 ZINC000094267220 256638712 /nfs/dbraw/zinc/63/87/12/256638712.db2.gz PDCSJRHDMYKAND-LBPRGKRZSA-N 0 0 233.359 3.591 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1ncnc2ccccc21 ZINC000094267221 353510607 /nfs/dbraw/zinc/51/06/07/353510607.db2.gz FVTIPSHSNCUUFN-ZDUSSCGKSA-N 0 0 241.338 3.620 20 0 BHADRN CC1(C)CCC[C@H]1Nc1ncnc2ccccc21 ZINC000094267222 353510614 /nfs/dbraw/zinc/51/06/14/353510614.db2.gz FVTIPSHSNCUUFN-CYBMUJFWSA-N 0 0 241.338 3.620 20 0 BHADRN CC1(C)CCCC[C@@H]1Nc1cccc(CO)c1 ZINC000094276887 322977382 /nfs/dbraw/zinc/97/73/82/322977382.db2.gz GERIOGYAKBBMJW-AWEZNQCLSA-N 0 0 233.355 3.560 20 0 BHADRN CC1(C)CCCC[C@H]1Nc1cccc(CO)c1 ZINC000094276888 322977349 /nfs/dbraw/zinc/97/73/49/322977349.db2.gz GERIOGYAKBBMJW-CQSZACIVSA-N 0 0 233.355 3.560 20 0 BHADRN CC1(C)CCCC[C@@H]1Nc1ccccc1CO ZINC000094277835 384982819 /nfs/dbraw/zinc/98/28/19/384982819.db2.gz GBWVHEACXTWLAP-AWEZNQCLSA-N 0 0 233.355 3.560 20 0 BHADRN CC1(C)CCCC[C@H]1Nc1ccccc1CO ZINC000094277836 384984074 /nfs/dbraw/zinc/98/40/74/384984074.db2.gz GBWVHEACXTWLAP-CQSZACIVSA-N 0 0 233.355 3.560 20 0 BHADRN CC1(C)CCCC[C@@H]1Nc1ccc(CCO)cc1 ZINC000094279069 384983592 /nfs/dbraw/zinc/98/35/92/384983592.db2.gz XPGNCYSBRBLHMZ-HNNXBMFYSA-N 0 0 247.382 3.602 20 0 BHADRN CC1(C)CCCC[C@H]1Nc1ccc(CCO)cc1 ZINC000094279070 384982738 /nfs/dbraw/zinc/98/27/38/384982738.db2.gz XPGNCYSBRBLHMZ-OAHLLOKOSA-N 0 0 247.382 3.602 20 0 BHADRN CC(=O)Nc1ccc(N[C@@H]2CCCC2(C)C)cc1 ZINC000094302954 191044742 /nfs/dbraw/zinc/04/47/42/191044742.db2.gz QNYXYQRRNOLDLA-CQSZACIVSA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1ccc(N[C@H]2CCCC2(C)C)cc1 ZINC000094302955 191045254 /nfs/dbraw/zinc/04/52/54/191045254.db2.gz QNYXYQRRNOLDLA-AWEZNQCLSA-N 0 0 246.354 3.636 20 0 BHADRN COc1ccc(N[C@H]2CCCC2(C)C)c(OC)c1 ZINC000094302972 635279555 /nfs/dbraw/zinc/27/95/55/635279555.db2.gz JJHJLKJVADIPHF-AWEZNQCLSA-N 0 0 249.354 3.694 20 0 BHADRN COc1ccc(N[C@@H]2CCCC2(C)C)c(OC)c1 ZINC000094302973 635280168 /nfs/dbraw/zinc/28/01/68/635280168.db2.gz JJHJLKJVADIPHF-CQSZACIVSA-N 0 0 249.354 3.694 20 0 BHADRN COc1ccc(N[C@H]2CCCC2(C)C)cc1OC ZINC000094303032 635280179 /nfs/dbraw/zinc/28/01/79/635280179.db2.gz ODDFTPLDAHNQKH-AWEZNQCLSA-N 0 0 249.354 3.694 20 0 BHADRN COc1ccc(N[C@@H]2CCCC2(C)C)cc1OC ZINC000094303033 635279420 /nfs/dbraw/zinc/27/94/20/635279420.db2.gz ODDFTPLDAHNQKH-CQSZACIVSA-N 0 0 249.354 3.694 20 0 BHADRN COc1cc(N[C@H]2CCCC2(C)C)cc(OC)c1 ZINC000094303034 386941456 /nfs/dbraw/zinc/94/14/56/386941456.db2.gz CFCBADVEXITZNP-AWEZNQCLSA-N 0 0 249.354 3.694 20 0 BHADRN COc1cc(N[C@@H]2CCCC2(C)C)cc(OC)c1 ZINC000094303035 386941475 /nfs/dbraw/zinc/94/14/75/386941475.db2.gz CFCBADVEXITZNP-CQSZACIVSA-N 0 0 249.354 3.694 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H]2CCCC2(C)C)c1 ZINC000094303090 187286513 /nfs/dbraw/zinc/28/65/13/187286513.db2.gz WXTAPKWNWMFQDN-CQSZACIVSA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@H]2CCCC2(C)C)c1 ZINC000094303091 384296143 /nfs/dbraw/zinc/29/61/43/384296143.db2.gz WXTAPKWNWMFQDN-AWEZNQCLSA-N 0 0 246.354 3.636 20 0 BHADRN COc1ccc(N[C@H]2CCCC2(C)C)cc1F ZINC000094304002 644714504 /nfs/dbraw/zinc/71/45/04/644714504.db2.gz XHJOCOXLIMMBAS-ZDUSSCGKSA-N 0 0 237.318 3.825 20 0 BHADRN COc1ccc(N[C@@H]2CCCC2(C)C)cc1F ZINC000094304003 644715103 /nfs/dbraw/zinc/71/51/03/644715103.db2.gz XHJOCOXLIMMBAS-CYBMUJFWSA-N 0 0 237.318 3.825 20 0 BHADRN CN(C)c1ccc(N[C@H]2CCCC2(C)C)cc1 ZINC000094304176 644713988 /nfs/dbraw/zinc/71/39/88/644713988.db2.gz ICAOZQPIWQWVSY-AWEZNQCLSA-N 0 0 232.371 3.743 20 0 BHADRN CN(C)c1ccc(N[C@@H]2CCCC2(C)C)cc1 ZINC000094304177 644714762 /nfs/dbraw/zinc/71/47/62/644714762.db2.gz ICAOZQPIWQWVSY-CQSZACIVSA-N 0 0 232.371 3.743 20 0 BHADRN COCc1cccc(N[C@H]2CCCC2(C)C)c1 ZINC000094304220 386941228 /nfs/dbraw/zinc/94/12/28/386941228.db2.gz BVJNGQNCAKNHFZ-AWEZNQCLSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1cccc(N[C@@H]2CCCC2(C)C)c1 ZINC000094304221 386940978 /nfs/dbraw/zinc/94/09/78/386940978.db2.gz BVJNGQNCAKNHFZ-CQSZACIVSA-N 0 0 233.355 3.824 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1ccc2n[nH]cc2c1 ZINC000094305310 386940436 /nfs/dbraw/zinc/94/04/36/386940436.db2.gz CCHVXFPDMNHOIA-ZDUSSCGKSA-N 0 0 229.327 3.554 20 0 BHADRN CC1(C)CCC[C@H]1Nc1ccc2n[nH]cc2c1 ZINC000094305311 386941006 /nfs/dbraw/zinc/94/10/06/386941006.db2.gz CCHVXFPDMNHOIA-CYBMUJFWSA-N 0 0 229.327 3.554 20 0 BHADRN CN(C)c1ccccc1N[C@H]1CCCC1(C)C ZINC000094306364 355647105 /nfs/dbraw/zinc/64/71/05/355647105.db2.gz JYPKEQZBIUXAKJ-AWEZNQCLSA-N 0 0 232.371 3.743 20 0 BHADRN CN(C)c1ccccc1N[C@@H]1CCCC1(C)C ZINC000094306365 355647008 /nfs/dbraw/zinc/64/70/08/355647008.db2.gz JYPKEQZBIUXAKJ-CQSZACIVSA-N 0 0 232.371 3.743 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1ccc2c(c1)CCO2 ZINC000094306674 644714422 /nfs/dbraw/zinc/71/44/22/644714422.db2.gz WDGLRZZWYXVRAA-AWEZNQCLSA-N 0 0 231.339 3.612 20 0 BHADRN CC1(C)CCC[C@H]1Nc1ccc2c(c1)CCO2 ZINC000094306675 644715077 /nfs/dbraw/zinc/71/50/77/644715077.db2.gz WDGLRZZWYXVRAA-CQSZACIVSA-N 0 0 231.339 3.612 20 0 BHADRN CC1(C)CCc2sc(-c3ccccc3N)nc21 ZINC000094309042 344327882 /nfs/dbraw/zinc/32/78/82/344327882.db2.gz BNGQUGWAKWWHIH-UHFFFAOYSA-N 0 0 244.363 3.616 20 0 BHADRN CC1(C)CCc2sc(-c3ccccc3O)nc21 ZINC000094309112 386942750 /nfs/dbraw/zinc/94/27/50/386942750.db2.gz OQGYEKJRHPWGCJ-UHFFFAOYSA-N 0 0 245.347 3.740 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)c1ccccc1F ZINC000094326783 323188989 /nfs/dbraw/zinc/18/89/89/323188989.db2.gz XDQCFTKZZYVDPN-ZDUSSCGKSA-N 0 0 249.329 3.524 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)c1ccccc1F ZINC000094326784 323188933 /nfs/dbraw/zinc/18/89/33/323188933.db2.gz XDQCFTKZZYVDPN-CYBMUJFWSA-N 0 0 249.329 3.524 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000094326837 323188946 /nfs/dbraw/zinc/18/89/46/323188946.db2.gz NYSFOMZJTOOQAY-ZDUSSCGKSA-N 0 0 249.329 3.524 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)c1ccc(F)cc1 ZINC000094326838 323188947 /nfs/dbraw/zinc/18/89/47/323188947.db2.gz NYSFOMZJTOOQAY-CYBMUJFWSA-N 0 0 249.329 3.524 20 0 BHADRN CC(C)(C)CCOc1c(F)cc(C=O)cc1F ZINC000094348252 635305541 /nfs/dbraw/zinc/30/55/41/635305541.db2.gz RWABTZFENXQVQU-UHFFFAOYSA-N 0 0 242.265 3.592 20 0 BHADRN Cc1cccc(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC000094364820 179154539 /nfs/dbraw/zinc/15/45/39/179154539.db2.gz MDLXVFLODIFBHI-CQSZACIVSA-N 0 0 231.339 3.509 20 0 BHADRN Cc1cccc(N[C@H]2CCOC3(CCC3)C2)c1 ZINC000094364821 179157961 /nfs/dbraw/zinc/15/79/61/179157961.db2.gz MDLXVFLODIFBHI-AWEZNQCLSA-N 0 0 231.339 3.509 20 0 BHADRN Cc1cccc(N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000094364822 635314849 /nfs/dbraw/zinc/31/48/49/635314849.db2.gz UZDXLNWPOQOFCO-OAHLLOKOSA-N 0 0 245.366 3.899 20 0 BHADRN Cc1cccc(N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000094364823 635316014 /nfs/dbraw/zinc/31/60/14/635316014.db2.gz UZDXLNWPOQOFCO-HNNXBMFYSA-N 0 0 245.366 3.899 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)c(C)c1 ZINC000094364838 178772075 /nfs/dbraw/zinc/77/20/75/178772075.db2.gz ASKQTYNHPKTKQY-CQSZACIVSA-N 0 0 245.366 3.817 20 0 BHADRN Cc1ccc(N[C@H]2CCOC3(CCC3)C2)c(C)c1 ZINC000094364839 384298644 /nfs/dbraw/zinc/29/86/44/384298644.db2.gz ASKQTYNHPKTKQY-AWEZNQCLSA-N 0 0 245.366 3.817 20 0 BHADRN c1ccc(N[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000094364918 635317126 /nfs/dbraw/zinc/31/71/26/635317126.db2.gz UZFFKSNMAHRVKO-CQSZACIVSA-N 0 0 231.339 3.590 20 0 BHADRN c1ccc(N[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000094364919 635315190 /nfs/dbraw/zinc/31/51/90/635315190.db2.gz UZFFKSNMAHRVKO-AWEZNQCLSA-N 0 0 231.339 3.590 20 0 BHADRN c1ccc(N[C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000094364924 635316023 /nfs/dbraw/zinc/31/60/23/635316023.db2.gz OLJMVEHIJHYDPL-OAHLLOKOSA-N 0 0 245.366 3.980 20 0 BHADRN c1ccc(N[C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000094364925 635314839 /nfs/dbraw/zinc/31/48/39/635314839.db2.gz OLJMVEHIJHYDPL-HNNXBMFYSA-N 0 0 245.366 3.980 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)cc1C ZINC000094365998 178771861 /nfs/dbraw/zinc/77/18/61/178771861.db2.gz DBBFEDLTYVJOEC-OAHLLOKOSA-N 0 0 245.366 3.817 20 0 BHADRN Cc1ccc(N[C@H]2CCOC3(CCC3)C2)cc1C ZINC000094365999 384299223 /nfs/dbraw/zinc/29/92/23/384299223.db2.gz DBBFEDLTYVJOEC-HNNXBMFYSA-N 0 0 245.366 3.817 20 0 BHADRN Fc1cccc(N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000094366036 635312404 /nfs/dbraw/zinc/31/24/04/635312404.db2.gz GQFKNTGKVLJISP-CQSZACIVSA-N 0 0 249.329 3.729 20 0 BHADRN Fc1cccc(N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000094366037 635311314 /nfs/dbraw/zinc/31/13/14/635311314.db2.gz GQFKNTGKVLJISP-AWEZNQCLSA-N 0 0 249.329 3.729 20 0 BHADRN Fc1ccc(N[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000094366162 635311681 /nfs/dbraw/zinc/31/16/81/635311681.db2.gz XTIXPJAXCCFVHI-CQSZACIVSA-N 0 0 249.329 3.729 20 0 BHADRN Fc1ccc(N[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000094366163 635313647 /nfs/dbraw/zinc/31/36/47/635313647.db2.gz XTIXPJAXCCFVHI-AWEZNQCLSA-N 0 0 249.329 3.729 20 0 BHADRN Fc1ccccc1N[C@@H]1CCOC2(CCCC2)C1 ZINC000094366234 635310970 /nfs/dbraw/zinc/31/09/70/635310970.db2.gz YCKBYEPCDGZEMP-GFCCVEGCSA-N 0 0 249.329 3.729 20 0 BHADRN Fc1ccccc1N[C@H]1CCOC2(CCCC2)C1 ZINC000094366235 635312551 /nfs/dbraw/zinc/31/25/51/635312551.db2.gz YCKBYEPCDGZEMP-LBPRGKRZSA-N 0 0 249.329 3.729 20 0 BHADRN Cc1cc(C)cc(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC000094366348 384298081 /nfs/dbraw/zinc/29/80/81/384298081.db2.gz ZWBXBZAZOPOSGJ-CQSZACIVSA-N 0 0 245.366 3.817 20 0 BHADRN Cc1cc(C)cc(N[C@H]2CCOC3(CCC3)C2)c1 ZINC000094366349 177911194 /nfs/dbraw/zinc/91/11/94/177911194.db2.gz ZWBXBZAZOPOSGJ-AWEZNQCLSA-N 0 0 245.366 3.817 20 0 BHADRN Cc1ccc(F)cc1N[C@@H]1CCOC2(CCC2)C1 ZINC000094366366 178690229 /nfs/dbraw/zinc/69/02/29/178690229.db2.gz RLUUJXMOYHSQLA-CYBMUJFWSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1ccc(F)cc1N[C@H]1CCOC2(CCC2)C1 ZINC000094366367 384297275 /nfs/dbraw/zinc/29/72/75/384297275.db2.gz RLUUJXMOYHSQLA-ZDUSSCGKSA-N 0 0 249.329 3.648 20 0 BHADRN CCc1ccc(N[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000094366402 384298119 /nfs/dbraw/zinc/29/81/19/384298119.db2.gz BYIPOHQGTHXAGB-OAHLLOKOSA-N 0 0 245.366 3.763 20 0 BHADRN CCc1ccc(N[C@H]2CCOC3(CCC3)C2)cc1 ZINC000094366403 384297781 /nfs/dbraw/zinc/29/77/81/384297781.db2.gz BYIPOHQGTHXAGB-HNNXBMFYSA-N 0 0 245.366 3.763 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)cc1F ZINC000094366420 386946388 /nfs/dbraw/zinc/94/63/88/386946388.db2.gz MZCWLZPNGALWFJ-CYBMUJFWSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1ccc(N[C@H]2CCOC3(CCC3)C2)cc1F ZINC000094366421 259451746 /nfs/dbraw/zinc/45/17/46/259451746.db2.gz MZCWLZPNGALWFJ-ZDUSSCGKSA-N 0 0 249.329 3.648 20 0 BHADRN CCc1ccccc1N[C@@H]1CCOC2(CCC2)C1 ZINC000094366438 384298111 /nfs/dbraw/zinc/29/81/11/384298111.db2.gz GMNTUVMFYSWNBV-CQSZACIVSA-N 0 0 245.366 3.763 20 0 BHADRN CCc1ccccc1N[C@H]1CCOC2(CCC2)C1 ZINC000094366439 384298720 /nfs/dbraw/zinc/29/87/20/384298720.db2.gz GMNTUVMFYSWNBV-AWEZNQCLSA-N 0 0 245.366 3.763 20 0 BHADRN Cc1cc(F)ccc1N[C@@H]1CCOC2(CCC2)C1 ZINC000094366504 178090754 /nfs/dbraw/zinc/09/07/54/178090754.db2.gz NMHKQJCFGOXXPM-CYBMUJFWSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1cc(F)ccc1N[C@H]1CCOC2(CCC2)C1 ZINC000094366505 178090836 /nfs/dbraw/zinc/09/08/36/178090836.db2.gz NMHKQJCFGOXXPM-ZDUSSCGKSA-N 0 0 249.329 3.648 20 0 BHADRN CCc1cccc(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC000094366540 171863761 /nfs/dbraw/zinc/86/37/61/171863761.db2.gz JLQICISMBCFUHF-OAHLLOKOSA-N 0 0 245.366 3.763 20 0 BHADRN CCc1cccc(N[C@H]2CCOC3(CCC3)C2)c1 ZINC000094366541 171863818 /nfs/dbraw/zinc/86/38/18/171863818.db2.gz JLQICISMBCFUHF-HNNXBMFYSA-N 0 0 245.366 3.763 20 0 BHADRN Cc1cccc(N[C@@H]2CCOC3(CCC3)C2)c1C ZINC000094366658 179154870 /nfs/dbraw/zinc/15/48/70/179154870.db2.gz OMFBYALHVXNQCR-CQSZACIVSA-N 0 0 245.366 3.817 20 0 BHADRN Cc1cccc(N[C@H]2CCOC3(CCC3)C2)c1C ZINC000094366659 179157369 /nfs/dbraw/zinc/15/73/69/179157369.db2.gz OMFBYALHVXNQCR-AWEZNQCLSA-N 0 0 245.366 3.817 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000094366676 178773125 /nfs/dbraw/zinc/77/31/25/178773125.db2.gz YXBFARXXGAHPTQ-CQSZACIVSA-N 0 0 231.339 3.509 20 0 BHADRN Cc1ccc(N[C@H]2CCOC3(CCC3)C2)cc1 ZINC000094366677 178777878 /nfs/dbraw/zinc/77/78/78/178777878.db2.gz YXBFARXXGAHPTQ-AWEZNQCLSA-N 0 0 231.339 3.509 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000094366678 635315760 /nfs/dbraw/zinc/31/57/60/635315760.db2.gz QUPUGOAYNRLMFC-OAHLLOKOSA-N 0 0 245.366 3.899 20 0 BHADRN Cc1ccc(N[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000094366679 635316533 /nfs/dbraw/zinc/31/65/33/635316533.db2.gz QUPUGOAYNRLMFC-HNNXBMFYSA-N 0 0 245.366 3.899 20 0 BHADRN Cc1ccc(C)c(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC000094366694 384298128 /nfs/dbraw/zinc/29/81/28/384298128.db2.gz LWYDBNWBBMWOFI-CQSZACIVSA-N 0 0 245.366 3.817 20 0 BHADRN Cc1ccc(C)c(N[C@H]2CCOC3(CCC3)C2)c1 ZINC000094366695 384298850 /nfs/dbraw/zinc/29/88/50/384298850.db2.gz LWYDBNWBBMWOFI-AWEZNQCLSA-N 0 0 245.366 3.817 20 0 BHADRN Cc1ccccc1N[C@@H]1CCOC2(CCC2)C1 ZINC000094366748 179306811 /nfs/dbraw/zinc/30/68/11/179306811.db2.gz OLBSEGOXLLJMFZ-CYBMUJFWSA-N 0 0 231.339 3.509 20 0 BHADRN Cc1ccccc1N[C@H]1CCOC2(CCC2)C1 ZINC000094366749 179306857 /nfs/dbraw/zinc/30/68/57/179306857.db2.gz OLBSEGOXLLJMFZ-ZDUSSCGKSA-N 0 0 231.339 3.509 20 0 BHADRN Cc1ccccc1N[C@@H]1CCOC2(CCCC2)C1 ZINC000094366750 635314311 /nfs/dbraw/zinc/31/43/11/635314311.db2.gz YJUQDOHPURQOJD-CQSZACIVSA-N 0 0 245.366 3.899 20 0 BHADRN Cc1ccccc1N[C@H]1CCOC2(CCCC2)C1 ZINC000094366751 635316177 /nfs/dbraw/zinc/31/61/77/635316177.db2.gz YJUQDOHPURQOJD-AWEZNQCLSA-N 0 0 245.366 3.899 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000094366934 259451943 /nfs/dbraw/zinc/45/19/43/259451943.db2.gz SCFHFHMCRODVAM-GFCCVEGCSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1ccc(N[C@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000094366935 386946878 /nfs/dbraw/zinc/94/68/78/386946878.db2.gz SCFHFHMCRODVAM-LBPRGKRZSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1ccc(F)c(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC000094366990 384299267 /nfs/dbraw/zinc/29/92/67/384299267.db2.gz QWUQKLSRDMZDPU-GFCCVEGCSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1ccc(F)c(N[C@H]2CCOC3(CCC3)C2)c1 ZINC000094366991 178678255 /nfs/dbraw/zinc/67/82/55/178678255.db2.gz QWUQKLSRDMZDPU-LBPRGKRZSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1c(F)cccc1N[C@@H]1CCOC2(CCC2)C1 ZINC000094370774 384297754 /nfs/dbraw/zinc/29/77/54/384297754.db2.gz AKPSYGXJTFNIKJ-GFCCVEGCSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1c(F)cccc1N[C@H]1CCOC2(CCC2)C1 ZINC000094370775 177610203 /nfs/dbraw/zinc/61/02/03/177610203.db2.gz AKPSYGXJTFNIKJ-LBPRGKRZSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1cc(N[C@@H]2CCOC3(CCC3)C2)ccc1F ZINC000094372202 178183207 /nfs/dbraw/zinc/18/32/07/178183207.db2.gz GKKJUXVTSOSLKB-CYBMUJFWSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1cc(N[C@H]2CCOC3(CCC3)C2)ccc1F ZINC000094372203 178190670 /nfs/dbraw/zinc/19/06/70/178190670.db2.gz GKKJUXVTSOSLKB-ZDUSSCGKSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1cc(F)cc(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC000094374846 178079848 /nfs/dbraw/zinc/07/98/48/178079848.db2.gz FRPPANMFYRANLY-CYBMUJFWSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1cc(F)cc(N[C@H]2CCOC3(CCC3)C2)c1 ZINC000094374847 178079832 /nfs/dbraw/zinc/07/98/32/178079832.db2.gz FRPPANMFYRANLY-ZDUSSCGKSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1cccc(N[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000094422246 386949217 /nfs/dbraw/zinc/94/92/17/386949217.db2.gz HCASWXFWBKPNCA-CYBMUJFWSA-N 0 0 233.355 3.753 20 0 BHADRN Cc1cccc(N[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000094422247 386948124 /nfs/dbraw/zinc/94/81/24/386948124.db2.gz HCASWXFWBKPNCA-ZDUSSCGKSA-N 0 0 233.355 3.753 20 0 BHADRN CC1(C)C[C@H](Nc2cccc(F)c2)C(C)(C)O1 ZINC000094422451 256638855 /nfs/dbraw/zinc/63/88/55/256638855.db2.gz RNVDRKVCCUEGAU-LBPRGKRZSA-N 0 0 237.318 3.584 20 0 BHADRN CC1(C)C[C@@H](Nc2cccc(F)c2)C(C)(C)O1 ZINC000094422452 256638944 /nfs/dbraw/zinc/63/89/44/256638944.db2.gz RNVDRKVCCUEGAU-GFCCVEGCSA-N 0 0 237.318 3.584 20 0 BHADRN CC1(C)C[C@H](Nc2ccc(F)cc2)C(C)(C)O1 ZINC000094422465 386949813 /nfs/dbraw/zinc/94/98/13/386949813.db2.gz VWPKEQWJWRUVOQ-LBPRGKRZSA-N 0 0 237.318 3.584 20 0 BHADRN CC1(C)C[C@@H](Nc2ccc(F)cc2)C(C)(C)O1 ZINC000094422466 386950796 /nfs/dbraw/zinc/95/07/96/386950796.db2.gz VWPKEQWJWRUVOQ-GFCCVEGCSA-N 0 0 237.318 3.584 20 0 BHADRN Cc1ccc(N[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000094422524 386950788 /nfs/dbraw/zinc/95/07/88/386950788.db2.gz OZHJTCNYSFPGSN-CYBMUJFWSA-N 0 0 233.355 3.753 20 0 BHADRN Cc1ccc(N[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000094422525 386950741 /nfs/dbraw/zinc/95/07/41/386950741.db2.gz OZHJTCNYSFPGSN-ZDUSSCGKSA-N 0 0 233.355 3.753 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc3cccnc32)CS1 ZINC000094470568 487536136 /nfs/dbraw/zinc/53/61/36/487536136.db2.gz SWMRHXKWXQIBRZ-PWSUYJOCSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@H]1C[C@H](Nc2cccc3cccnc32)CS1 ZINC000094470569 487536164 /nfs/dbraw/zinc/53/61/64/487536164.db2.gz SWMRHXKWXQIBRZ-JQWIXIFHSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc3cccnc32)CS1 ZINC000094470570 487536169 /nfs/dbraw/zinc/53/61/69/487536169.db2.gz SWMRHXKWXQIBRZ-ZYHUDNBSSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@H]1C[C@@H](Nc2cccc3cccnc32)CS1 ZINC000094470571 487536153 /nfs/dbraw/zinc/53/61/53/487536153.db2.gz SWMRHXKWXQIBRZ-CMPLNLGQSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc3ncccc32)CS1 ZINC000094470640 487536129 /nfs/dbraw/zinc/53/61/29/487536129.db2.gz YEKOTYRIGJPRLT-MNOVXSKESA-N 0 0 244.363 3.541 20 0 BHADRN C[C@H]1C[C@H](Nc2cccc3ncccc32)CS1 ZINC000094470641 487536071 /nfs/dbraw/zinc/53/60/71/487536071.db2.gz YEKOTYRIGJPRLT-QWRGUYRKSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc3ncccc32)CS1 ZINC000094470642 487536062 /nfs/dbraw/zinc/53/60/62/487536062.db2.gz YEKOTYRIGJPRLT-GHMZBOCLSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@H]1C[C@@H](Nc2cccc3ncccc32)CS1 ZINC000094470643 487536161 /nfs/dbraw/zinc/53/61/61/487536161.db2.gz YEKOTYRIGJPRLT-WDEREUQCSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc3ncccc3c2)CS1 ZINC000094473114 487538131 /nfs/dbraw/zinc/53/81/31/487538131.db2.gz POFWCGZQERCIPR-MFKMUULPSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@H]1C[C@H](Nc2ccc3ncccc3c2)CS1 ZINC000094473115 487537909 /nfs/dbraw/zinc/53/79/09/487537909.db2.gz POFWCGZQERCIPR-GWCFXTLKSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc3ncccc3c2)CS1 ZINC000094473116 487538171 /nfs/dbraw/zinc/53/81/71/487538171.db2.gz POFWCGZQERCIPR-ZWNOBZJWSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@H]1C[C@@H](Nc2ccc3ncccc3c2)CS1 ZINC000094473117 487538420 /nfs/dbraw/zinc/53/84/20/487538420.db2.gz POFWCGZQERCIPR-GXFFZTMASA-N 0 0 244.363 3.541 20 0 BHADRN c1cncc(NCc2cccc(C3CC3)c2)c1 ZINC000094517589 360310198 /nfs/dbraw/zinc/31/01/98/360310198.db2.gz ZLSSNSJGRSEGHL-UHFFFAOYSA-N 0 0 224.307 3.571 20 0 BHADRN c1cncc(NCc2ccc(C3CC3)cc2)c1 ZINC000094517590 360310510 /nfs/dbraw/zinc/31/05/10/360310510.db2.gz AIXSSZKWPMGRNK-UHFFFAOYSA-N 0 0 224.307 3.571 20 0 BHADRN c1ccc(C2CC2)c(CNc2cccnc2)c1 ZINC000094517591 537840342 /nfs/dbraw/zinc/84/03/42/537840342.db2.gz KISCOFUGLOPLBN-UHFFFAOYSA-N 0 0 224.307 3.571 20 0 BHADRN Cc1ccncc1NCc1ccccc1C1CC1 ZINC000094519859 541383129 /nfs/dbraw/zinc/38/31/29/541383129.db2.gz SURNLNZDAXMHKZ-UHFFFAOYSA-N 0 0 238.334 3.880 20 0 BHADRN Cc1ncccc1NCc1ccccc1C1CC1 ZINC000094520315 537840289 /nfs/dbraw/zinc/84/02/89/537840289.db2.gz XKSFRULTGIVBID-UHFFFAOYSA-N 0 0 238.334 3.880 20 0 BHADRN Cc1ccc(-c2cnn(C3CCCC3)c2)cc1 ZINC000094576155 386949874 /nfs/dbraw/zinc/94/98/74/386949874.db2.gz HEXWDYIZDLCBFI-UHFFFAOYSA-N 0 0 226.323 3.974 20 0 BHADRN CC[C@@H](C)n1cc(-c2ccccc2F)cn1 ZINC000094576202 487545989 /nfs/dbraw/zinc/54/59/89/487545989.db2.gz YQSPGZJUVAAKGH-SNVBAGLBSA-N 0 0 218.275 3.660 20 0 BHADRN CC[C@H](C)n1cc(-c2ccccc2F)cn1 ZINC000094576203 487545914 /nfs/dbraw/zinc/54/59/14/487545914.db2.gz YQSPGZJUVAAKGH-JTQLQIEISA-N 0 0 218.275 3.660 20 0 BHADRN CC[C@@H](C)n1cc(-c2ccccc2C)cn1 ZINC000094576216 487545937 /nfs/dbraw/zinc/54/59/37/487545937.db2.gz FNUMUIGMQJGANH-GFCCVEGCSA-N 0 0 214.312 3.830 20 0 BHADRN CC[C@H](C)n1cc(-c2ccccc2C)cn1 ZINC000094576217 487545125 /nfs/dbraw/zinc/54/51/25/487545125.db2.gz FNUMUIGMQJGANH-LBPRGKRZSA-N 0 0 214.312 3.830 20 0 BHADRN CC[C@@H](C)n1cc(-c2ccc(F)cc2)cn1 ZINC000094576218 487545476 /nfs/dbraw/zinc/54/54/76/487545476.db2.gz NGFNEUCVKNVMMU-SNVBAGLBSA-N 0 0 218.275 3.660 20 0 BHADRN CC[C@H](C)n1cc(-c2ccc(F)cc2)cn1 ZINC000094576219 487545092 /nfs/dbraw/zinc/54/50/92/487545092.db2.gz NGFNEUCVKNVMMU-JTQLQIEISA-N 0 0 218.275 3.660 20 0 BHADRN CC[C@@H](C)n1cc(-c2cccc(F)c2)cn1 ZINC000094576220 487545955 /nfs/dbraw/zinc/54/59/55/487545955.db2.gz MTTDERWWNGLARJ-SNVBAGLBSA-N 0 0 218.275 3.660 20 0 BHADRN CC[C@H](C)n1cc(-c2cccc(F)c2)cn1 ZINC000094576221 487545859 /nfs/dbraw/zinc/54/58/59/487545859.db2.gz MTTDERWWNGLARJ-JTQLQIEISA-N 0 0 218.275 3.660 20 0 BHADRN C[C@@H](c1ccccc1)[S@@](=O)c1cccc(F)c1 ZINC000094589905 388865382 /nfs/dbraw/zinc/86/53/82/388865382.db2.gz AZCAYTXHEWIBBB-GTNSWQLSSA-N 0 0 248.322 3.695 20 0 BHADRN C[C@H](c1ccccc1)[S@@](=O)c1cccc(F)c1 ZINC000094589906 388865024 /nfs/dbraw/zinc/86/50/24/388865024.db2.gz AZCAYTXHEWIBBB-DIFFPNOSSA-N 0 0 248.322 3.695 20 0 BHADRN C[C@@H](c1ccccc1)[S@](=O)c1cccc(F)c1 ZINC000094589907 388865654 /nfs/dbraw/zinc/86/56/54/388865654.db2.gz AZCAYTXHEWIBBB-APPDUMDISA-N 0 0 248.322 3.695 20 0 BHADRN C[C@H](c1ccccc1)[S@](=O)c1cccc(F)c1 ZINC000094589908 388864981 /nfs/dbraw/zinc/86/49/81/388864981.db2.gz AZCAYTXHEWIBBB-PIGZYNQJSA-N 0 0 248.322 3.695 20 0 BHADRN c1ccc(SCCSc2ccncc2)cc1 ZINC000094614654 644720952 /nfs/dbraw/zinc/72/09/52/644720952.db2.gz QSTUSIPXLIVJAW-UHFFFAOYSA-N 0 0 247.388 3.966 20 0 BHADRN C[C@@H](O)[C@H](C)Nc1ccc(-c2ccccc2)cc1 ZINC000094653967 344330335 /nfs/dbraw/zinc/33/03/35/344330335.db2.gz URZZRKMSNGQIRN-QWHCGFSZSA-N 0 0 241.334 3.535 20 0 BHADRN 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243.375 3.866 20 0 BHADRN Cc1nc(SCCc2ccccc2)oc1C ZINC000097251752 487692508 /nfs/dbraw/zinc/69/25/08/487692508.db2.gz LTBUJTBPVIRWCI-UHFFFAOYSA-N 0 0 233.336 3.626 20 0 BHADRN Cc1nc(SCC2CCCCC2)oc1C ZINC000097251755 487692482 /nfs/dbraw/zinc/69/24/82/487692482.db2.gz JLDVMBNLTGYGMB-UHFFFAOYSA-N 0 0 225.357 3.964 20 0 BHADRN CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000097254495 386439755 /nfs/dbraw/zinc/43/97/55/386439755.db2.gz ZSVOGLAQBLZBNP-NSHDSACASA-N 0 0 239.309 3.587 20 0 BHADRN CC[C@@H](C)C(=O)NCCCC1CCCCC1 ZINC000097261363 386437801 /nfs/dbraw/zinc/43/78/01/386437801.db2.gz WVJJHPLTRWPICP-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@H](C)C(=O)NCCCC1CCCCC1 ZINC000097261364 171250823 /nfs/dbraw/zinc/25/08/23/171250823.db2.gz WVJJHPLTRWPICP-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CC(C)CC(=O)NCCCC1CCCCC1 ZINC000097261374 187290049 /nfs/dbraw/zinc/29/00/49/187290049.db2.gz GRLHDYKPPOPGBV-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCC(=O)NCCCC1CCCCC1 ZINC000097261376 256648382 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CCCCC[C@H](C)NC(=O)N(CC)CCCC ZINC000097394152 643162847 /nfs/dbraw/zinc/16/28/47/643162847.db2.gz XTQLRBIGLMIBOX-ZDUSSCGKSA-N 0 0 242.407 3.787 20 0 BHADRN CC(C)c1ccc(CCC(=O)N(C)C(C)C)cc1 ZINC000097403375 386452849 /nfs/dbraw/zinc/45/28/49/386452849.db2.gz MAYKMZPDCDOVLZ-UHFFFAOYSA-N 0 0 247.382 3.609 20 0 BHADRN CC[C@@H](C)N(C)C(=O)CCCc1ccc(C)cc1 ZINC000097403606 384201259 /nfs/dbraw/zinc/20/12/59/384201259.db2.gz VNNHXWZXUSRJEJ-CQSZACIVSA-N 0 0 247.382 3.575 20 0 BHADRN CC[C@H](C)N(C)C(=O)CCCc1ccc(C)cc1 ZINC000097403607 342799190 /nfs/dbraw/zinc/79/91/90/342799190.db2.gz VNNHXWZXUSRJEJ-AWEZNQCLSA-N 0 0 247.382 3.575 20 0 BHADRN CC(C)CCC(=O)N(c1ccccc1)C(C)C ZINC000097445400 387245825 /nfs/dbraw/zinc/24/58/25/387245825.db2.gz JHZIWAIVTZNJEL-UHFFFAOYSA-N 0 0 233.355 3.864 20 0 BHADRN CC(C)N(C(=O)CC(C)(C)C)c1ccccc1 ZINC000097445406 387245512 /nfs/dbraw/zinc/24/55/12/387245512.db2.gz VUWRUMWXTIWRQS-UHFFFAOYSA-N 0 0 233.355 3.864 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)CSCCC ZINC000097466471 644924001 /nfs/dbraw/zinc/92/40/01/644924001.db2.gz HWQKHWZDEHOVCX-GFCCVEGCSA-N 0 0 245.432 3.605 20 0 BHADRN CCCCCC[C@H](C)NC(=O)CSCCC ZINC000097466472 644923779 /nfs/dbraw/zinc/92/37/79/644923779.db2.gz HWQKHWZDEHOVCX-LBPRGKRZSA-N 0 0 245.432 3.605 20 0 BHADRN CC[C@@H](C)Sc1nc2ccccc2o1 ZINC000097466628 384218467 /nfs/dbraw/zinc/21/84/67/384218467.db2.gz CLSVVYRCYADWAP-MRVPVSSYSA-N 0 0 207.298 3.718 20 0 BHADRN CC[C@H](C)Sc1nc2ccccc2o1 ZINC000097466630 171356882 /nfs/dbraw/zinc/35/68/82/171356882.db2.gz CLSVVYRCYADWAP-QMMMGPOBSA-N 0 0 207.298 3.718 20 0 BHADRN C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccccc1 ZINC000097473033 322989067 /nfs/dbraw/zinc/98/90/67/322989067.db2.gz OFSJFYSVDNAGBS-RYUDHWBXSA-N 0 0 246.354 3.633 20 0 BHADRN C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccccc1 ZINC000097473034 322989006 /nfs/dbraw/zinc/98/90/06/322989006.db2.gz OFSJFYSVDNAGBS-VXGBXAGGSA-N 0 0 246.354 3.633 20 0 BHADRN CC(C)CCN(C)c1ncccc1C(F)(F)F ZINC000097477204 386651581 /nfs/dbraw/zinc/65/15/81/386651581.db2.gz 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234.320 3.592 20 0 BHADRN Fc1cccc(CSCc2ccco2)c1 ZINC000097513794 387247667 /nfs/dbraw/zinc/24/76/67/387247667.db2.gz GAOKTYWLDONFPZ-UHFFFAOYSA-N 0 0 222.284 3.852 20 0 BHADRN COc1ccc(CCSCc2ccco2)cc1 ZINC000097513856 175092513 /nfs/dbraw/zinc/09/25/13/175092513.db2.gz SZDHYPFVOMADJA-UHFFFAOYSA-N 0 0 248.347 3.764 20 0 BHADRN Fc1ccccc1CSCc1ccco1 ZINC000097513871 181013521 /nfs/dbraw/zinc/01/35/21/181013521.db2.gz FWUYAEDUKRCBMO-UHFFFAOYSA-N 0 0 222.284 3.852 20 0 BHADRN CC(C)CSc1nc2ccccc2o1 ZINC000097513938 398305598 /nfs/dbraw/zinc/30/55/98/398305598.db2.gz JNBJAEJQHCMGFL-UHFFFAOYSA-N 0 0 207.298 3.576 20 0 BHADRN CCCCC(=O)OCc1ccccc1Cl ZINC000097513985 641936884 /nfs/dbraw/zinc/93/68/84/641936884.db2.gz VQTKRESYGLVLON-UHFFFAOYSA-N 0 0 226.703 3.573 20 0 BHADRN CCCCSCCOc1ccc(OC)cc1 ZINC000097514018 398305621 /nfs/dbraw/zinc/30/56/21/398305621.db2.gz IMNKRSIBGBRRKT-UHFFFAOYSA-N 0 0 240.368 3.607 20 0 BHADRN CCCCSCCOc1ccccc1F ZINC000097514021 398305689 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20 0 BHADRN Cc1ccc(C)c(OC(=O)CC(C)C)c1C ZINC000097616329 644936611 /nfs/dbraw/zinc/93/66/11/644936611.db2.gz ATPXTMUBFSGUKP-UHFFFAOYSA-N 0 0 220.312 3.563 20 0 BHADRN CCc1ccc(OC(=O)CC(C)(C)C)cc1 ZINC000097629231 644937003 /nfs/dbraw/zinc/93/70/03/644937003.db2.gz POFCCCKTXOHEGK-UHFFFAOYSA-N 0 0 220.312 3.591 20 0 BHADRN CCc1ccc(OC(=O)C(CC)CC)cc1 ZINC000097629236 643225087 /nfs/dbraw/zinc/22/50/87/643225087.db2.gz AXZSNGYOECTXMA-UHFFFAOYSA-N 0 0 220.312 3.591 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1ccc(CC)cc1 ZINC000097629237 643225766 /nfs/dbraw/zinc/22/57/66/643225766.db2.gz JIGUEVMXTUREEJ-LLVKDONJSA-N 0 0 220.312 3.591 20 0 BHADRN CCC[C@H](C)C(=O)Oc1ccc(CC)cc1 ZINC000097629238 644937532 /nfs/dbraw/zinc/93/75/32/644937532.db2.gz JIGUEVMXTUREEJ-NSHDSACASA-N 0 0 220.312 3.591 20 0 BHADRN Cc1ccc(NCCCCC(C)C)nc1 ZINC000097635690 636189577 /nfs/dbraw/zinc/18/95/77/636189577.db2.gz HTPJIGZGTFSLEC-UHFFFAOYSA-N 0 0 206.333 3.628 20 0 BHADRN Cc1ccc(OC(=O)CCC(C)C)c(C)c1 ZINC000097635970 644938384 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O=C(CC1CCCCC1)N1CCC[C@H]1C1CCC1 ZINC000102874102 357941985 /nfs/dbraw/zinc/94/19/85/357941985.db2.gz NBJZKABQHGZZTG-HNNXBMFYSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(CCC1CCCC1)N1CCC[C@@H]1C1CCC1 ZINC000102874705 387522203 /nfs/dbraw/zinc/52/22/03/387522203.db2.gz WGGTWJCYVZAAGZ-OAHLLOKOSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(CCC1CCCC1)N1CCC[C@H]1C1CCC1 ZINC000102874709 387522598 /nfs/dbraw/zinc/52/25/98/387522598.db2.gz WGGTWJCYVZAAGZ-HNNXBMFYSA-N 0 0 249.398 3.748 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCC[C@@H]1C1CCC1 ZINC000102875358 169355046 /nfs/dbraw/zinc/35/50/46/169355046.db2.gz IPJGKKYKSXBJOP-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCC[C@@H]1C1CCC1 ZINC000102875363 387521666 /nfs/dbraw/zinc/52/16/66/387521666.db2.gz IPJGKKYKSXBJOP-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCC[C@H]1C1CCC1 ZINC000102875366 169355185 /nfs/dbraw/zinc/35/51/85/169355185.db2.gz IPJGKKYKSXBJOP-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCC[C@H]1C1CCC1 ZINC000102875368 169476758 /nfs/dbraw/zinc/47/67/58/169476758.db2.gz IPJGKKYKSXBJOP-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCCC(=O)N1CCC[C@@H]1C1CCC1 ZINC000102878459 387522262 /nfs/dbraw/zinc/52/22/62/387522262.db2.gz RLNFXMHJLBUJME-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCCCC(=O)N1CCC[C@H]1C1CCC1 ZINC000102878461 387521403 /nfs/dbraw/zinc/52/14/03/387521403.db2.gz RLNFXMHJLBUJME-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN O=C(C1CCCCCC1)N1CCC[C@@H]1C1CCC1 ZINC000102878863 181870619 /nfs/dbraw/zinc/87/06/19/181870619.db2.gz WNNXFYGGTMTAFU-OAHLLOKOSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(C1CCCCCC1)N1CCC[C@H]1C1CCC1 ZINC000102878865 387522193 /nfs/dbraw/zinc/52/21/93/387522193.db2.gz WNNXFYGGTMTAFU-HNNXBMFYSA-N 0 0 249.398 3.748 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)N2CCCC2(C)C)C1 ZINC000102918393 323215660 /nfs/dbraw/zinc/21/56/60/323215660.db2.gz ILNKJJYQCDDZHV-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@H](CC(=O)N2CCCC2(C)C)C1 ZINC000102918395 323215339 /nfs/dbraw/zinc/21/53/39/323215339.db2.gz ILNKJJYQCDDZHV-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)N2CCCC2(C)C)C1 ZINC000102918397 323215509 /nfs/dbraw/zinc/21/55/09/323215509.db2.gz ILNKJJYQCDDZHV-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@@H](CC(=O)N2CCCC2(C)C)C1 ZINC000102918399 323215512 /nfs/dbraw/zinc/21/55/12/323215512.db2.gz ILNKJJYQCDDZHV-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)=C[C@@H]1[C@H](C(=O)N2CCCC2(C)C)C1(C)C ZINC000102919206 357948943 /nfs/dbraw/zinc/94/89/43/357948943.db2.gz HPRRGVLXKNZABI-CHWSQXEVSA-N 0 0 249.398 3.626 20 0 BHADRN CC(C)=C[C@H]1[C@H](C(=O)N2CCCC2(C)C)C1(C)C ZINC000102919209 357948718 /nfs/dbraw/zinc/94/87/18/357948718.db2.gz HPRRGVLXKNZABI-QWHCGFSZSA-N 0 0 249.398 3.626 20 0 BHADRN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCC2(C)C)C1(C)C ZINC000102919211 357948817 /nfs/dbraw/zinc/94/88/17/357948817.db2.gz HPRRGVLXKNZABI-OLZOCXBDSA-N 0 0 249.398 3.626 20 0 BHADRN CC(C)=C[C@H]1[C@@H](C(=O)N2CCCC2(C)C)C1(C)C ZINC000102919213 357948677 /nfs/dbraw/zinc/94/86/77/357948677.db2.gz HPRRGVLXKNZABI-STQMWFEESA-N 0 0 249.398 3.626 20 0 BHADRN C[C@@H](CC(=O)N1CCCC1(C)C)c1ccccc1 ZINC000102919978 384735901 /nfs/dbraw/zinc/73/59/01/384735901.db2.gz ZKKODDQZVDURQH-ZDUSSCGKSA-N 0 0 245.366 3.581 20 0 BHADRN C[C@H](CC(=O)N1CCCC1(C)C)c1ccccc1 ZINC000102919982 384735510 /nfs/dbraw/zinc/73/55/10/384735510.db2.gz ZKKODDQZVDURQH-CYBMUJFWSA-N 0 0 245.366 3.581 20 0 BHADRN CC/C=C(\C)C(=O)Nc1cccc(SC)c1 ZINC000102941939 384736448 /nfs/dbraw/zinc/73/64/48/384736448.db2.gz FOOMVFWXOUKQPR-UXBLZVDNSA-N 0 0 235.352 3.703 20 0 BHADRN C/C=C/C[S@@](=O)Cc1ccc(C(C)C)cc1 ZINC000102946158 384739300 /nfs/dbraw/zinc/73/93/00/384739300.db2.gz PCYQOFJBHNMHJU-APHBUQMISA-N 0 0 236.380 3.635 20 0 BHADRN C/C=C/C[S@](=O)Cc1ccc(C(C)C)cc1 ZINC000102946160 188323473 /nfs/dbraw/zinc/32/34/73/188323473.db2.gz PCYQOFJBHNMHJU-DWTRPJMMSA-N 0 0 236.380 3.635 20 0 BHADRN O=[S@](Cc1ccccc1)CC1CCCCC1 ZINC000102946234 384739840 /nfs/dbraw/zinc/73/98/40/384739840.db2.gz DYCYRAJBPCCFKY-INIZCTEOSA-N 0 0 236.380 3.516 20 0 BHADRN O=[S@@](Cc1ccccc1)CC1CCCCC1 ZINC000102946237 182963345 /nfs/dbraw/zinc/96/33/45/182963345.db2.gz DYCYRAJBPCCFKY-MRXNPFEDSA-N 0 0 236.380 3.516 20 0 BHADRN CCSc1nnc(-c2c(C)cc(C)cc2C)o1 ZINC000102972915 384594244 /nfs/dbraw/zinc/59/42/44/384594244.db2.gz FQJPTZMGCDQRQR-UHFFFAOYSA-N 0 0 248.351 3.774 20 0 BHADRN Cc1ccccc1NC(=O)/C=C\c1cccs1 ZINC000102973591 583173559 /nfs/dbraw/zinc/17/35/59/583173559.db2.gz KYJJHISSUPYHOC-HJWRWDBZSA-N 0 0 243.331 3.708 20 0 BHADRN CCC(CC)NC(=O)C(C)(C)c1ccc(C)cc1 ZINC000102974809 323216457 /nfs/dbraw/zinc/21/64/57/323216457.db2.gz YFWXSZMVVKPJEK-UHFFFAOYSA-N 0 0 247.382 3.577 20 0 BHADRN CC(C)[C@@H](CC(=O)N(C)C(C)C)c1ccccc1 ZINC000102983289 384743173 /nfs/dbraw/zinc/74/31/73/384743173.db2.gz YZAGEVIUNJSJFP-OAHLLOKOSA-N 0 0 247.382 3.683 20 0 BHADRN CC(C)[C@H](CC(=O)N(C)C(C)C)c1ccccc1 ZINC000102983292 384743439 /nfs/dbraw/zinc/74/34/39/384743439.db2.gz YZAGEVIUNJSJFP-HNNXBMFYSA-N 0 0 247.382 3.683 20 0 BHADRN CCCCN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC000102985070 388464786 /nfs/dbraw/zinc/46/47/86/388464786.db2.gz JJRACMBTRNTMAL-UHFFFAOYSA-N 0 0 247.382 3.531 20 0 BHADRN CCCCN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC000102985080 384742363 /nfs/dbraw/zinc/74/23/63/384742363.db2.gz IWMYBFOBNHYPSS-UHFFFAOYSA-N 0 0 239.746 3.521 20 0 BHADRN CCCN(C)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000103003345 323215321 /nfs/dbraw/zinc/21/53/21/323215321.db2.gz PKNFLEMBEKOMDO-OAHLLOKOSA-N 0 0 247.382 3.685 20 0 BHADRN CCCN(C)C(=O)C[C@H](c1ccccc1)C(C)C ZINC000103003346 323215560 /nfs/dbraw/zinc/21/55/60/323215560.db2.gz PKNFLEMBEKOMDO-HNNXBMFYSA-N 0 0 247.382 3.685 20 0 BHADRN CCC(C)(C)C(=O)Nc1ccc(F)c(C)c1 ZINC000103024605 355987871 /nfs/dbraw/zinc/98/78/71/355987871.db2.gz IGFNIAICLDIEOO-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CCC(CC)C(=O)Nc1ccc(F)c(C)c1 ZINC000103026271 384742818 /nfs/dbraw/zinc/74/28/18/384742818.db2.gz LSYPSADMFBZGAT-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN Cc1cc(C(=O)Nc2ccc(F)c(C)c2)c(C)o1 ZINC000103026298 384591716 /nfs/dbraw/zinc/59/17/16/384591716.db2.gz XJPQFWRKUSRFIN-UHFFFAOYSA-N 0 0 247.269 3.596 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc(F)c(C)c1 ZINC000103026300 323221932 /nfs/dbraw/zinc/22/19/32/323221932.db2.gz BBOTUDYGGPBDQN-SECBINFHSA-N 0 0 223.291 3.509 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc(F)c(C)c1 ZINC000103026301 323221938 /nfs/dbraw/zinc/22/19/38/323221938.db2.gz BBOTUDYGGPBDQN-VIFPVBQESA-N 0 0 223.291 3.509 20 0 BHADRN Cc1cc(NC(=O)CC(C)(C)C)ccc1F ZINC000103026398 323222152 /nfs/dbraw/zinc/22/21/52/323222152.db2.gz PSFMKCZPNICGFB-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN Cc1cc(NC(=O)c2ccccc2C)ccc1F ZINC000103026428 323222059 /nfs/dbraw/zinc/22/20/59/323222059.db2.gz AJHGUZBPWVJNGK-UHFFFAOYSA-N 0 0 243.281 3.695 20 0 BHADRN Cc1cc(NC(=O)c2cccc(F)c2)ccc1F ZINC000103026438 323221988 /nfs/dbraw/zinc/22/19/88/323221988.db2.gz NPHWAJMBMCJRAJ-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN Cc1ccsc1C(=O)Nc1ccc(F)c(C)c1 ZINC000103026518 323222099 /nfs/dbraw/zinc/22/20/99/323222099.db2.gz TZDJAZKMIMDGGV-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN Cc1ccc(C(=O)Nc2ccc(F)c(C)c2)s1 ZINC000103026521 178435402 /nfs/dbraw/zinc/43/54/02/178435402.db2.gz SHVQUEDUGBLGTG-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN CC/C=C(/C)C(=O)NC(C)(C)c1ccc(F)cc1 ZINC000103052725 585054475 /nfs/dbraw/zinc/05/44/75/585054475.db2.gz VUVOGVINCAGMRD-WDZFZDKYSA-N 0 0 249.329 3.533 20 0 BHADRN Cc1ccoc1C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000103056121 322974148 /nfs/dbraw/zinc/97/41/48/322974148.db2.gz WJCHURVGQSKWRW-CHWSQXEVSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccoc1C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000103056124 323242974 /nfs/dbraw/zinc/24/29/74/323242974.db2.gz WJCHURVGQSKWRW-OLZOCXBDSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccoc1C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000103056126 323243378 /nfs/dbraw/zinc/24/33/78/323243378.db2.gz WJCHURVGQSKWRW-QWHCGFSZSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccoc1C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000103056128 323242978 /nfs/dbraw/zinc/24/29/78/323242978.db2.gz WJCHURVGQSKWRW-STQMWFEESA-N 0 0 249.354 3.533 20 0 BHADRN Cc1occc1C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000103056334 323243108 /nfs/dbraw/zinc/24/31/08/323243108.db2.gz SLEWHPZGQBOTQW-TZMCWYRMSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1occc1C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000103056335 323243186 /nfs/dbraw/zinc/24/31/86/323243186.db2.gz SLEWHPZGQBOTQW-OCCSQVGLSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1occc1C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000103056337 323243353 /nfs/dbraw/zinc/24/33/53/323243353.db2.gz SLEWHPZGQBOTQW-GXTWGEPZSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1occc1C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000103056340 323243184 /nfs/dbraw/zinc/24/31/84/323243184.db2.gz SLEWHPZGQBOTQW-JSGCOSHPSA-N 0 0 249.354 3.533 20 0 BHADRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C1CCCC1 ZINC000103056882 323244195 /nfs/dbraw/zinc/24/41/95/323244195.db2.gz NFVAEZFAMQITGG-KBPBESRZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)C1CCCC1 ZINC000103056884 323243757 /nfs/dbraw/zinc/24/37/57/323243757.db2.gz NFVAEZFAMQITGG-KGLIPLIRSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)C1CCCC1 ZINC000103056885 323244219 /nfs/dbraw/zinc/24/42/19/323244219.db2.gz NFVAEZFAMQITGG-UONOGXRCSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H]1CCCC[C@H]1NC(=O)C1CCCC1 ZINC000103056886 323243812 /nfs/dbraw/zinc/24/38/12/323243812.db2.gz NFVAEZFAMQITGG-ZIAGYGMSSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000103056997 323244172 /nfs/dbraw/zinc/24/41/72/323244172.db2.gz SLVMNKIWAKOIKO-CHWSQXEVSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000103056999 323243715 /nfs/dbraw/zinc/24/37/15/323243715.db2.gz SLVMNKIWAKOIKO-OLZOCXBDSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000103057001 323243722 /nfs/dbraw/zinc/24/37/22/323243722.db2.gz SLVMNKIWAKOIKO-QWHCGFSZSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000103057002 323244160 /nfs/dbraw/zinc/24/41/60/323244160.db2.gz SLVMNKIWAKOIKO-STQMWFEESA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC=CCC1 ZINC000103057048 323244213 /nfs/dbraw/zinc/24/42/13/323244213.db2.gz WCGLFXWZAGHQKR-KKUMJFAQSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC=CCC1 ZINC000103057051 323243873 /nfs/dbraw/zinc/24/38/73/323243873.db2.gz WCGLFXWZAGHQKR-SOUVJXGZSA-N 0 0 249.398 3.674 20 0 BHADRN CCCCOc1ccc(OCCC)cc1 ZINC000103210334 188323728 /nfs/dbraw/zinc/32/37/28/188323728.db2.gz VVYDCVROEKWQOH-UHFFFAOYSA-N 0 0 208.301 3.654 20 0 BHADRN CCOc1ccc(OCCC(C)C)cc1 ZINC000103210347 387490503 /nfs/dbraw/zinc/49/05/03/387490503.db2.gz OAUOXRPZMCKYLZ-UHFFFAOYSA-N 0 0 208.301 3.510 20 0 BHADRN CCCCCOc1ccc(OCC)cc1 ZINC000103210350 385608533 /nfs/dbraw/zinc/60/85/33/385608533.db2.gz YKOSOMSRGYJYMS-UHFFFAOYSA-N 0 0 208.301 3.654 20 0 BHADRN CCCOc1ccccc1OCCC(C)C ZINC000103211801 169327469 /nfs/dbraw/zinc/32/74/69/169327469.db2.gz LDUSWOSHIDPNNV-UHFFFAOYSA-N 0 0 222.328 3.900 20 0 BHADRN COCCCCCSc1ccc(Cl)cn1 ZINC000103231136 174186575 /nfs/dbraw/zinc/18/65/75/174186575.db2.gz KLWSFBQKIGTYAC-UHFFFAOYSA-N 0 0 245.775 3.644 20 0 BHADRN COCCCCCSc1ncccc1Cl ZINC000103231576 174186024 /nfs/dbraw/zinc/18/60/24/174186024.db2.gz FNTPEPCQHDUQKR-UHFFFAOYSA-N 0 0 245.775 3.644 20 0 BHADRN CCc1sc(C)nc1-c1ccc(OC)cc1 ZINC000103267765 172129761 /nfs/dbraw/zinc/12/97/61/172129761.db2.gz VCXYYBRUIADMDG-UHFFFAOYSA-N 0 0 233.336 3.690 20 0 BHADRN Cc1cc(Nc2ccccc2)nc(C(C)C)n1 ZINC000103286254 178194233 /nfs/dbraw/zinc/19/42/33/178194233.db2.gz MVXJQIBWXUFFBI-UHFFFAOYSA-N 0 0 227.311 3.652 20 0 BHADRN CCCC[C@@H](CC)COC(=O)c1cscn1 ZINC000103331529 583974062 /nfs/dbraw/zinc/97/40/62/583974062.db2.gz KQPKVGXQSIMGSO-SNVBAGLBSA-N 0 0 241.356 3.516 20 0 BHADRN CCCC[C@H](CC)COC(=O)c1cscn1 ZINC000103331530 585098446 /nfs/dbraw/zinc/09/84/46/585098446.db2.gz KQPKVGXQSIMGSO-JTQLQIEISA-N 0 0 241.356 3.516 20 0 BHADRN O=C(OCC1CC1)c1cccc(Cl)c1Cl ZINC000103332757 585095101 /nfs/dbraw/zinc/09/51/01/585095101.db2.gz GJGFLMFPNHBESN-UHFFFAOYSA-N 0 0 245.105 3.560 20 0 BHADRN CC(C)(C)CCCC(=O)N1CCCCCC1 ZINC000103355806 323247889 /nfs/dbraw/zinc/24/78/89/323247889.db2.gz FYDYJBFSUUQYJI-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCCNC(=O)CCCC(C)(C)C ZINC000103355816 323247915 /nfs/dbraw/zinc/24/79/15/323247915.db2.gz KEVSAIOGPYIAIB-UHFFFAOYSA-N 0 0 213.365 3.509 20 0 BHADRN CN(Cc1ccccc1)C(=O)CCCC(C)(C)C ZINC000103355868 323247495 /nfs/dbraw/zinc/24/74/95/323247495.db2.gz QBTUHFPUSRBUII-UHFFFAOYSA-N 0 0 247.382 3.861 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)CCCC(C)(C)C ZINC000103355889 323247928 /nfs/dbraw/zinc/24/79/28/323247928.db2.gz KSTZRSIBYZWILN-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CC[C@H]1CCCCN1C(=O)CCCC(C)(C)C ZINC000103355891 323247881 /nfs/dbraw/zinc/24/78/81/323247881.db2.gz KSTZRSIBYZWILN-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)(C)CCCC(=O)NCc1ccccc1 ZINC000103355901 323247752 /nfs/dbraw/zinc/24/77/52/323247752.db2.gz 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246.331 3.601 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)OCc1csc2ccccc12 ZINC000108317563 588457970 /nfs/dbraw/zinc/45/79/70/588457970.db2.gz YWUXWUQPDQMZDB-BXKDBHETSA-N 0 0 246.331 3.601 20 0 BHADRN C[C@H]1C[C@H]1C(=O)OCc1csc2ccccc12 ZINC000108317565 643080391 /nfs/dbraw/zinc/08/03/91/643080391.db2.gz YWUXWUQPDQMZDB-JOYOIKCWSA-N 0 0 246.331 3.601 20 0 BHADRN CC(C)=CC(=O)OCc1csc2ccccc12 ZINC000108320623 635793246 /nfs/dbraw/zinc/79/32/46/635793246.db2.gz DWUPTCGWKUIILC-UHFFFAOYSA-N 0 0 246.331 3.911 20 0 BHADRN CC(C)C(=O)OCc1csc2ccccc12 ZINC000108320635 635793499 /nfs/dbraw/zinc/79/34/99/635793499.db2.gz GNUAVAWFPSRWNI-UHFFFAOYSA-N 0 0 234.320 3.601 20 0 BHADRN O=C(OCc1csc2ccccc12)C1CCC1 ZINC000108320677 635794085 /nfs/dbraw/zinc/79/40/85/635794085.db2.gz KJIDVDGWGFDVKI-UHFFFAOYSA-N 0 0 246.331 3.745 20 0 BHADRN CC(C)(C)OCCSCc1ccc(F)cc1 ZINC000108408751 322978297 /nfs/dbraw/zinc/97/82/97/322978297.db2.gz WWFBOCMRBIFIDN-UHFFFAOYSA-N 0 0 242.359 3.874 20 0 BHADRN CC[C@H](SCc1nc(C)no1)c1ccccc1 ZINC000108410728 171595286 /nfs/dbraw/zinc/59/52/86/171595286.db2.gz QXNVXEKBEJXEFU-LBPRGKRZSA-N 0 0 248.351 3.763 20 0 BHADRN CC[C@@H](SCc1nc(C)no1)c1ccccc1 ZINC000108410730 344504848 /nfs/dbraw/zinc/50/48/48/344504848.db2.gz QXNVXEKBEJXEFU-GFCCVEGCSA-N 0 0 248.351 3.763 20 0 BHADRN C/C=C/CSCc1csc(CC)n1 ZINC000108412796 323077892 /nfs/dbraw/zinc/07/78/92/323077892.db2.gz KFWGUKYMJYLSPM-HWKANZROSA-N 0 0 213.371 3.515 20 0 BHADRN C/C=C/CS[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000108412868 384665225 /nfs/dbraw/zinc/66/52/25/384665225.db2.gz KLEMMQBRPJPKGY-UCUJLANTSA-N 0 0 240.372 3.737 20 0 BHADRN C/C=C/CS[C@H](C)c1nc(C(C)(C)C)no1 ZINC000108412871 384663597 /nfs/dbraw/zinc/66/35/97/384663597.db2.gz KLEMMQBRPJPKGY-XCODYQFDSA-N 0 0 240.372 3.737 20 0 BHADRN C/C=C/CS[C@@H](C)c1nc(C(C)C)no1 ZINC000108412897 384664056 /nfs/dbraw/zinc/66/40/56/384664056.db2.gz YVPGWQMFMYAVCS-CYNONHLPSA-N 0 0 226.345 3.563 20 0 BHADRN C/C=C/CS[C@H](C)c1nc(C(C)C)no1 ZINC000108412898 384664987 /nfs/dbraw/zinc/66/49/87/384664987.db2.gz YVPGWQMFMYAVCS-VUHVRTRXSA-N 0 0 226.345 3.563 20 0 BHADRN CCSCc1csc(-c2ccoc2)n1 ZINC000108412998 385038390 /nfs/dbraw/zinc/03/83/90/385038390.db2.gz WMYKMTOGGTZHJP-UHFFFAOYSA-N 0 0 225.338 3.656 20 0 BHADRN CC(C)(C)OCCSCCc1cccs1 ZINC000108413843 588465677 /nfs/dbraw/zinc/46/56/77/588465677.db2.gz UDPGIXCOFNUSOD-UHFFFAOYSA-N 0 0 244.425 3.839 20 0 BHADRN CC(C)(C)OCCSCCc1ccccc1 ZINC000108413982 323866385 /nfs/dbraw/zinc/86/63/85/323866385.db2.gz PYNBWIHREYTTLO-UHFFFAOYSA-N 0 0 238.396 3.777 20 0 BHADRN C/C=C/CSCc1cc(-c2ccco2)on1 ZINC000108414582 384667468 /nfs/dbraw/zinc/66/74/68/384667468.db2.gz BPZYCEBMONOKCN-NSCUHMNNSA-N 0 0 235.308 3.744 20 0 BHADRN C/C=C/CSCc1ncc(C(C)(C)C)o1 ZINC000108414762 385039465 /nfs/dbraw/zinc/03/94/65/385039465.db2.gz GJVJMCQNCWQMRX-AATRIKPKSA-N 0 0 225.357 3.781 20 0 BHADRN C/C=C/CSCC(=O)Nc1ccc(C)c(C)c1 ZINC000108414835 397870657 /nfs/dbraw/zinc/87/06/57/397870657.db2.gz RRJMWKHLRKDCLW-SNAWJCMRSA-N 0 0 249.379 3.551 20 0 BHADRN C/C=C/CSCC(=O)c1c[nH]c2ccccc12 ZINC000108414969 397870561 /nfs/dbraw/zinc/87/05/61/397870561.db2.gz CKFPFVOURZUNQZ-NSCUHMNNSA-N 0 0 245.347 3.660 20 0 BHADRN C/C=C/CSCC(=O)Nc1cc(C)cc(C)c1 ZINC000108414998 397870513 /nfs/dbraw/zinc/87/05/13/397870513.db2.gz UXOQFKBCKXYMOF-SNAWJCMRSA-N 0 0 249.379 3.551 20 0 BHADRN C/C=C/CS[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000108415135 188346585 /nfs/dbraw/zinc/34/65/85/188346585.db2.gz AMUGSGJCMKNBMF-ITKZLYELSA-N 0 0 249.379 3.631 20 0 BHADRN C/C=C/CS[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000108415136 188170161 /nfs/dbraw/zinc/17/01/61/188170161.db2.gz AMUGSGJCMKNBMF-ZYOFXKKJSA-N 0 0 249.379 3.631 20 0 BHADRN C/C=C/CSCC(=O)Nc1cc(C)ccc1C ZINC000108415218 187805246 /nfs/dbraw/zinc/80/52/46/187805246.db2.gz RHKRXVPFHVANBY-SNAWJCMRSA-N 0 0 249.379 3.551 20 0 BHADRN C/C=C/CS[C@@H](C)C(=O)Nc1ccccc1C ZINC000108415356 191069030 /nfs/dbraw/zinc/06/90/30/191069030.db2.gz VCXATAYJYOADFS-ITKZLYELSA-N 0 0 249.379 3.631 20 0 BHADRN C/C=C/CS[C@H](C)C(=O)Nc1ccccc1C ZINC000108415358 191069394 /nfs/dbraw/zinc/06/93/94/191069394.db2.gz VCXATAYJYOADFS-ZYOFXKKJSA-N 0 0 249.379 3.631 20 0 BHADRN C/C=C/CSCC(=O)Nc1ccc(C)cc1C ZINC000108415444 385039375 /nfs/dbraw/zinc/03/93/75/385039375.db2.gz ANJLCWLILHLHLP-SNAWJCMRSA-N 0 0 249.379 3.551 20 0 BHADRN C/C=C/CSCc1ccc(Cl)nc1 ZINC000108415640 187302850 /nfs/dbraw/zinc/30/28/50/187302850.db2.gz ITHMBDRYKMYMHX-NSCUHMNNSA-N 0 0 213.733 3.544 20 0 BHADRN C/C=C/CSCC(=O)Nc1cccc(C)c1C ZINC000108415711 191069345 /nfs/dbraw/zinc/06/93/45/191069345.db2.gz QLQQCMJMWDQQMP-SNAWJCMRSA-N 0 0 249.379 3.551 20 0 BHADRN O=C(/C=C\c1ccco1)NC1CCCCCCC1 ZINC000108579850 643758930 /nfs/dbraw/zinc/75/89/30/643758930.db2.gz NUZQZZYTBGGSQL-KHPPLWFESA-N 0 0 247.338 3.522 20 0 BHADRN CC(C)(C)OC(=O)Oc1cccc(Cl)c1 ZINC000108640729 582853291 /nfs/dbraw/zinc/85/32/91/582853291.db2.gz YUOBNAHMRJYKTJ-UHFFFAOYSA-N 0 0 228.675 3.654 20 0 BHADRN CC(C)(C)OC(=O)Oc1ccc(F)c(Cl)c1 ZINC000108640926 588480175 /nfs/dbraw/zinc/48/01/75/588480175.db2.gz 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CC(C)(C)OC(=O)NC1(c2ccccc2)CCC1 ZINC000108643615 369400356 /nfs/dbraw/zinc/40/03/56/369400356.db2.gz ZFVQFQOLZGZJPE-UHFFFAOYSA-N 0 0 247.338 3.591 20 0 BHADRN CC(C)(C)OC(=O)Oc1ccc2ncccc2c1 ZINC000108648632 385058451 /nfs/dbraw/zinc/05/84/51/385058451.db2.gz PBUDCPKGJQCELI-UHFFFAOYSA-N 0 0 245.278 3.549 20 0 BHADRN CC(C)N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000108651178 588480515 /nfs/dbraw/zinc/48/05/15/588480515.db2.gz ZHUBPGIVSUJAFG-UHFFFAOYSA-N 0 0 227.348 3.575 20 0 BHADRN Cc1cccc2c1CC[C@@H]2NC(=O)OC(C)(C)C ZINC000108652650 588480247 /nfs/dbraw/zinc/48/02/47/588480247.db2.gz UQDPRQPZOOFDIO-ZDUSSCGKSA-N 0 0 247.338 3.507 20 0 BHADRN Cc1cccc2c1CC[C@H]2NC(=O)OC(C)(C)C ZINC000108652652 588480206 /nfs/dbraw/zinc/48/02/06/588480206.db2.gz UQDPRQPZOOFDIO-CYBMUJFWSA-N 0 0 247.338 3.507 20 0 BHADRN CCc1nccn1C[C@@H]1CCCc2ccccc21 ZINC000108658121 172025254 /nfs/dbraw/zinc/02/52/54/172025254.db2.gz KADOPSGLUGUZPT-AWEZNQCLSA-N 0 0 240.350 3.566 20 0 BHADRN CCc1nccn1C[C@H]1CCCc2ccccc21 ZINC000108658125 172027370 /nfs/dbraw/zinc/02/73/70/172027370.db2.gz KADOPSGLUGUZPT-CQSZACIVSA-N 0 0 240.350 3.566 20 0 BHADRN CCc1nccn1Cc1cccc2ccccc21 ZINC000108658235 172027555 /nfs/dbraw/zinc/02/75/55/172027555.db2.gz NMNJAQSPJPVQIS-UHFFFAOYSA-N 0 0 236.318 3.647 20 0 BHADRN c1ccc(SCc2noc3c2CCCC3)cc1 ZINC000108659604 369402474 /nfs/dbraw/zinc/40/24/74/369402474.db2.gz LVINMOFTARZYOD-UHFFFAOYSA-N 0 0 245.347 3.846 20 0 BHADRN C(SC1CCCC1)c1noc2c1CCCC2 ZINC000108659745 369402988 /nfs/dbraw/zinc/40/29/88/369402988.db2.gz OOSWNDIHABTWQL-UHFFFAOYSA-N 0 0 237.368 3.729 20 0 BHADRN CC[C@@H](C)N(C(=O)/C=C\c1ccco1)[C@@H](C)CC ZINC000108659803 588480767 /nfs/dbraw/zinc/48/07/67/588480767.db2.gz WPHTXQXTSROZIX-WCULEZNASA-N 0 0 249.354 3.718 20 0 BHADRN CC[C@H](C)N(C(=O)/C=C\c1ccco1)[C@@H](C)CC ZINC000108659807 588480793 /nfs/dbraw/zinc/48/07/93/588480793.db2.gz WPHTXQXTSROZIX-DQKWEHNMSA-N 0 0 249.354 3.718 20 0 BHADRN CCC(CC)SCc1noc2c1CCCC2 ZINC000108662772 369402841 /nfs/dbraw/zinc/40/28/41/369402841.db2.gz DDDPGOKXADMHSH-UHFFFAOYSA-N 0 0 239.384 3.975 20 0 BHADRN C[C@@H](CC(=O)NC1CCCCC1)C(C)(C)C ZINC000108668867 388045689 /nfs/dbraw/zinc/04/56/89/388045689.db2.gz JKFJEWBRMPMTOO-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H](CC(=O)NC1CCCCC1)C(C)(C)C ZINC000108668870 323879678 /nfs/dbraw/zinc/87/96/78/323879678.db2.gz JKFJEWBRMPMTOO-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](CC(=O)Nc1ccccc1)C(C)(C)C ZINC000108669078 323879593 /nfs/dbraw/zinc/87/95/93/323879593.db2.gz FWJRSJWBUQWPFT-NSHDSACASA-N 0 0 219.328 3.697 20 0 BHADRN C[C@H](CC(=O)Nc1ccccc1)C(C)(C)C ZINC000108669080 323879532 /nfs/dbraw/zinc/87/95/32/323879532.db2.gz FWJRSJWBUQWPFT-LLVKDONJSA-N 0 0 219.328 3.697 20 0 BHADRN C[C@@H](CC(=O)N(C)c1ccccc1)C(C)(C)C ZINC000108678579 518176756 /nfs/dbraw/zinc/17/67/56/518176756.db2.gz KOECZOLHEPFABI-LBPRGKRZSA-N 0 0 233.355 3.722 20 0 BHADRN C[C@H](CC(=O)N(C)c1ccccc1)C(C)(C)C ZINC000108678584 384721239 /nfs/dbraw/zinc/72/12/39/384721239.db2.gz KOECZOLHEPFABI-GFCCVEGCSA-N 0 0 233.355 3.722 20 0 BHADRN CCCCOC(=O)c1cc2sccc2s1 ZINC000108685683 636134731 /nfs/dbraw/zinc/13/47/31/636134731.db2.gz USVNHPKREGURNP-UHFFFAOYSA-N 0 0 240.349 3.920 20 0 BHADRN C[C@H](CC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)(C)C ZINC000108686897 388044892 /nfs/dbraw/zinc/04/48/92/388044892.db2.gz BGCQACFNFIULFA-UPJWGTAASA-N 0 0 239.403 3.848 20 0 BHADRN CCCCN(CCCC)C(=O)/C=C\c1ccco1 ZINC000108704810 636140141 /nfs/dbraw/zinc/14/01/41/636140141.db2.gz VQHRYEXIDREGOU-KTKRTIGZSA-N 0 0 249.354 3.722 20 0 BHADRN CCN(C(=O)C[C@@H](C)C(C)(C)C)c1cccnc1 ZINC000108713255 384734442 /nfs/dbraw/zinc/73/44/42/384734442.db2.gz MLLZNOALOMDABB-GFCCVEGCSA-N 0 0 248.370 3.507 20 0 BHADRN CCN(C(=O)C[C@H](C)C(C)(C)C)c1cccnc1 ZINC000108713258 169638583 /nfs/dbraw/zinc/63/85/83/169638583.db2.gz MLLZNOALOMDABB-LBPRGKRZSA-N 0 0 248.370 3.507 20 0 BHADRN C[C@@H](CC(=O)N1Cc2ccccc2C1)C(C)(C)C ZINC000108724246 175640705 /nfs/dbraw/zinc/64/07/05/175640705.db2.gz OGVDRLUVIHBSOP-LBPRGKRZSA-N 0 0 245.366 3.601 20 0 BHADRN 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/nfs/dbraw/zinc/64/61/55/368646155.db2.gz XVDFBHLKPRVAGW-UHFFFAOYSA-N 0 0 240.237 3.543 20 0 BHADRN CC(C)=Cc1nc(Cc2ccc(Cl)cc2)no1 ZINC000109611921 369504436 /nfs/dbraw/zinc/50/44/36/369504436.db2.gz FWYQJAQOFHCTTJ-UHFFFAOYSA-N 0 0 248.713 3.737 20 0 BHADRN Clc1ccc(Cc2noc(C3CCC3)n2)cc1 ZINC000109613146 385475150 /nfs/dbraw/zinc/47/51/50/385475150.db2.gz BFCCZTXYMSEGBR-UHFFFAOYSA-N 0 0 248.713 3.581 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000109703095 322836035 /nfs/dbraw/zinc/83/60/35/322836035.db2.gz FGPASENDNWSUSY-GFCCVEGCSA-N 0 0 219.328 3.760 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000109703097 322835998 /nfs/dbraw/zinc/83/59/98/322835998.db2.gz FGPASENDNWSUSY-LBPRGKRZSA-N 0 0 219.328 3.760 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000109703264 322980011 /nfs/dbraw/zinc/98/00/11/322980011.db2.gz BMBCJKCCJOOTLY-SNVBAGLBSA-N 0 0 223.291 3.591 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000109703266 322979944 /nfs/dbraw/zinc/97/99/44/322979944.db2.gz BMBCJKCCJOOTLY-JTQLQIEISA-N 0 0 223.291 3.591 20 0 BHADRN CCC[C@@H](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000109703582 169356132 /nfs/dbraw/zinc/35/61/32/169356132.db2.gz MNGJIOUTKOBYQU-OLZOCXBDSA-N 0 0 245.366 3.791 20 0 BHADRN CCC[C@H](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000109703584 385478886 /nfs/dbraw/zinc/47/88/86/385478886.db2.gz MNGJIOUTKOBYQU-STQMWFEESA-N 0 0 245.366 3.791 20 0 BHADRN CCC[C@@H](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000109703586 169355963 /nfs/dbraw/zinc/35/59/63/169355963.db2.gz MNGJIOUTKOBYQU-CHWSQXEVSA-N 0 0 245.366 3.791 20 0 BHADRN CCC[C@H](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000109703591 385478158 /nfs/dbraw/zinc/47/81/58/385478158.db2.gz MNGJIOUTKOBYQU-QWHCGFSZSA-N 0 0 245.366 3.791 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCCc2ccccc21 ZINC000109703770 322835962 /nfs/dbraw/zinc/83/59/62/322835962.db2.gz IUPGGDXOVQGFPZ-CYBMUJFWSA-N 0 0 245.366 3.792 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCCc2ccccc21 ZINC000109703772 322836092 /nfs/dbraw/zinc/83/60/92/322836092.db2.gz IUPGGDXOVQGFPZ-ZDUSSCGKSA-N 0 0 245.366 3.792 20 0 BHADRN CCC[C@@H](C)CC(=O)NC1CCCCCC1 ZINC000109703945 322836037 /nfs/dbraw/zinc/83/60/37/322836037.db2.gz VHBSPNMIFVYKHW-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H](C)CC(=O)NC1CCCCCC1 ZINC000109703947 322836005 /nfs/dbraw/zinc/83/60/05/322836005.db2.gz VHBSPNMIFVYKHW-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000109704318 322836011 /nfs/dbraw/zinc/83/60/11/322836011.db2.gz ILAWSHRXXUUJRO-SNVBAGLBSA-N 0 0 237.318 3.899 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000109704322 322836110 /nfs/dbraw/zinc/83/61/10/322836110.db2.gz ILAWSHRXXUUJRO-JTQLQIEISA-N 0 0 237.318 3.899 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000109705034 385187155 /nfs/dbraw/zinc/18/71/55/385187155.db2.gz XEBJHYQEDRTROD-LLVKDONJSA-N 0 0 219.328 3.760 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000109705037 385186886 /nfs/dbraw/zinc/18/68/86/385186886.db2.gz XEBJHYQEDRTROD-NSHDSACASA-N 0 0 219.328 3.760 20 0 BHADRN CCC[C@@H](C)CC(=O)NCCC1=CCCCC1 ZINC000109705074 322836213 /nfs/dbraw/zinc/83/62/13/322836213.db2.gz BQNPKVVHUNHBDC-CYBMUJFWSA-N 0 0 237.387 3.819 20 0 BHADRN CCC[C@H](C)CC(=O)NCCC1=CCCCC1 ZINC000109705077 384631928 /nfs/dbraw/zinc/63/19/28/384631928.db2.gz BQNPKVVHUNHBDC-ZDUSSCGKSA-N 0 0 237.387 3.819 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000109705183 322836247 /nfs/dbraw/zinc/83/62/47/322836247.db2.gz BNMPQKGHWQLCAU-SNVBAGLBSA-N 0 0 223.291 3.591 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000109705184 322836293 /nfs/dbraw/zinc/83/62/93/322836293.db2.gz BNMPQKGHWQLCAU-JTQLQIEISA-N 0 0 223.291 3.591 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000109705187 322836386 /nfs/dbraw/zinc/83/63/86/322836386.db2.gz OGVRWWSEGULWIN-GFCCVEGCSA-N 0 0 249.354 3.850 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000109705190 384630751 /nfs/dbraw/zinc/63/07/51/384630751.db2.gz OGVRWWSEGULWIN-LBPRGKRZSA-N 0 0 249.354 3.850 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000109705360 322836559 /nfs/dbraw/zinc/83/65/59/322836559.db2.gz VVWFXIAZFDWEDF-SECBINFHSA-N 0 0 241.281 3.730 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000109705361 322836542 /nfs/dbraw/zinc/83/65/42/322836542.db2.gz VVWFXIAZFDWEDF-VIFPVBQESA-N 0 0 241.281 3.730 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000109706884 322838466 /nfs/dbraw/zinc/83/84/66/322838466.db2.gz VJZBSPQYULJVJE-GFCCVEGCSA-N 0 0 245.366 3.940 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000109706886 322838560 /nfs/dbraw/zinc/83/85/60/322838560.db2.gz VJZBSPQYULJVJE-LBPRGKRZSA-N 0 0 245.366 3.940 20 0 BHADRN Cc1noc(C)c1CSc1cccs1 ZINC000109708142 385185987 /nfs/dbraw/zinc/18/59/87/385185987.db2.gz ZLHZGYGUGWVYKV-UHFFFAOYSA-N 0 0 225.338 3.645 20 0 BHADRN CCc1noc([C@@H](C)Sc2cccs2)n1 ZINC000109709024 172089817 /nfs/dbraw/zinc/08/98/17/172089817.db2.gz AQMMYYHDILWYII-SSDOTTSWSA-N 0 0 240.353 3.547 20 0 BHADRN CCc1noc([C@H](C)Sc2cccs2)n1 ZINC000109709026 172092103 /nfs/dbraw/zinc/09/21/03/172092103.db2.gz AQMMYYHDILWYII-ZETCQYMHSA-N 0 0 240.353 3.547 20 0 BHADRN CC(C)c1nc(CSc2cccs2)no1 ZINC000109709040 385187258 /nfs/dbraw/zinc/18/72/58/385187258.db2.gz FHUTVIBQHYMSOQ-UHFFFAOYSA-N 0 0 240.353 3.547 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1cccc(OCC)c1 ZINC000109716261 322980024 /nfs/dbraw/zinc/98/00/24/322980024.db2.gz KGNJBCZHKQMMKA-GFCCVEGCSA-N 0 0 249.354 3.850 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1cccc(OCC)c1 ZINC000109716265 385187507 /nfs/dbraw/zinc/18/75/07/385187507.db2.gz KGNJBCZHKQMMKA-LBPRGKRZSA-N 0 0 249.354 3.850 20 0 BHADRN Cc1nc(SC2Cc3ccccc3C2)oc1C ZINC000109717325 369523875 /nfs/dbraw/zinc/52/38/75/369523875.db2.gz JUMDNRKCEIKIET-UHFFFAOYSA-N 0 0 245.347 3.551 20 0 BHADRN C[C@H](SCC(C)(C)O)c1ccc(Cl)cc1 ZINC000109717893 384646676 /nfs/dbraw/zinc/64/66/76/384646676.db2.gz FTGYGWSKNRLGII-VIFPVBQESA-N 0 0 244.787 3.905 20 0 BHADRN C[C@@H](SCC(C)(C)O)c1ccc(Cl)cc1 ZINC000109717896 384646033 /nfs/dbraw/zinc/64/60/33/384646033.db2.gz FTGYGWSKNRLGII-SECBINFHSA-N 0 0 244.787 3.905 20 0 BHADRN CCC[C@@H](C)CC(=O)NCc1ccc(C)cc1C ZINC000109718968 384646715 /nfs/dbraw/zinc/64/67/15/384646715.db2.gz YFMSDJZIZVPCBV-GFCCVEGCSA-N 0 0 247.382 3.746 20 0 BHADRN CCC[C@H](C)CC(=O)NCc1ccc(C)cc1C ZINC000109718969 322839695 /nfs/dbraw/zinc/83/96/95/322839695.db2.gz YFMSDJZIZVPCBV-LBPRGKRZSA-N 0 0 247.382 3.746 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000109721973 385187670 /nfs/dbraw/zinc/18/76/70/385187670.db2.gz IVNBXSOZYAIBJU-XDQVBPFNSA-N 0 0 239.403 3.754 20 0 BHADRN CSc1ccccc1NC(=O)/C=C/C(C)(C)C ZINC000110046535 633159561 /nfs/dbraw/zinc/15/95/61/633159561.db2.gz LSJSVNBLJPCARQ-MDZDMXLPSA-N 0 0 249.379 3.949 20 0 BHADRN CN(C(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000110084171 172323303 /nfs/dbraw/zinc/32/33/03/172323303.db2.gz TZBAFGLKCZFRED-UHFFFAOYSA-N 0 0 246.354 3.610 20 0 BHADRN Cc1cccc(C(C)C)c1NC(=O)N(C)C1CC1 ZINC000110085545 188507850 /nfs/dbraw/zinc/50/78/50/188507850.db2.gz JURFGBGBZQVKCY-UHFFFAOYSA-N 0 0 246.354 3.745 20 0 BHADRN CC(C)(C)/C=C/C(=O)Nc1ccccc1Cl ZINC000110093794 385208727 /nfs/dbraw/zinc/20/87/27/385208727.db2.gz BYOURFVHNYTAIM-CMDGGOBGSA-N 0 0 237.730 3.881 20 0 BHADRN Cc1cccc(C)c1NC(=O)/C=C/C(C)(C)C ZINC000110093900 187806825 /nfs/dbraw/zinc/80/68/25/187806825.db2.gz OKARQKZFCGJMEM-MDZDMXLPSA-N 0 0 231.339 3.844 20 0 BHADRN CC(C)(C)/C=C/C(=O)Nc1cc(F)cc(F)c1 ZINC000110094103 588611638 /nfs/dbraw/zinc/61/16/38/588611638.db2.gz GMAYWXDIQFBSCG-SNAWJCMRSA-N 0 0 239.265 3.506 20 0 BHADRN CC(C)c1nccc(N[C@@H](C)c2ccccc2)n1 ZINC000110110691 490103810 /nfs/dbraw/zinc/10/38/10/490103810.db2.gz IUQGTTSJHBOCNE-LBPRGKRZSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1nccc(N[C@H](C)c2ccccc2)n1 ZINC000110110693 490103860 /nfs/dbraw/zinc/10/38/60/490103860.db2.gz IUQGTTSJHBOCNE-GFCCVEGCSA-N 0 0 241.338 3.773 20 0 BHADRN C[C@H](Nc1ccnc(C2CC2)n1)c1ccccc1 ZINC000110110696 385212870 /nfs/dbraw/zinc/21/28/70/385212870.db2.gz MGJPTCQBRCXFHX-NSHDSACASA-N 0 0 239.322 3.527 20 0 BHADRN C[C@@H](Nc1ccnc(C2CC2)n1)c1ccccc1 ZINC000110110699 385211565 /nfs/dbraw/zinc/21/15/65/385211565.db2.gz MGJPTCQBRCXFHX-LLVKDONJSA-N 0 0 239.322 3.527 20 0 BHADRN Clc1ccc(Oc2ccnc(C3CC3)n2)cc1 ZINC000110110939 387059645 /nfs/dbraw/zinc/05/96/45/387059645.db2.gz AAALUBPLDFYMIJ-UHFFFAOYSA-N 0 0 246.697 3.800 20 0 BHADRN Cc1ccccc1Oc1ccnc(C(C)C)n1 ZINC000110110945 179313708 /nfs/dbraw/zinc/31/37/08/179313708.db2.gz WVKKMKLMEZFLKR-UHFFFAOYSA-N 0 0 228.295 3.701 20 0 BHADRN CC(C)c1nccc(Oc2ccc(F)cc2)n1 ZINC000110110951 385211365 /nfs/dbraw/zinc/21/13/65/385211365.db2.gz OBOCQNWECJFEEX-UHFFFAOYSA-N 0 0 232.258 3.531 20 0 BHADRN Clc1cccc(Oc2ccnc(C3CC3)n2)c1 ZINC000110110965 387059587 /nfs/dbraw/zinc/05/95/87/387059587.db2.gz AVDANFLRTHPLKR-UHFFFAOYSA-N 0 0 246.697 3.800 20 0 BHADRN c1ccc(Sc2ccnc(C3CC3)n2)cc1 ZINC000110110978 387059263 /nfs/dbraw/zinc/05/92/63/387059263.db2.gz HMNJKQBPBIKGIL-UHFFFAOYSA-N 0 0 228.320 3.505 20 0 BHADRN Cc1ccc(C)c(Oc2ccnc(C3CC3)n2)c1 ZINC000110111395 387060033 /nfs/dbraw/zinc/06/00/33/387060033.db2.gz IAJOMSMAOOUDSO-UHFFFAOYSA-N 0 0 240.306 3.763 20 0 BHADRN Cc1ccc(Oc2ccnc(C3CC3)n2)cc1C ZINC000110111398 387059601 /nfs/dbraw/zinc/05/96/01/387059601.db2.gz MXPFMEDRRKYBQN-UHFFFAOYSA-N 0 0 240.306 3.763 20 0 BHADRN CC(C)c1nccc(SCc2ccccc2)n1 ZINC000110111674 490103984 /nfs/dbraw/zinc/10/39/84/490103984.db2.gz OHKHOPDYMHMYNC-UHFFFAOYSA-N 0 0 244.363 3.892 20 0 BHADRN c1ccc(CSc2ccnc(C3CC3)n2)cc1 ZINC000110111677 183409747 /nfs/dbraw/zinc/40/97/47/183409747.db2.gz HBEKLUDRDCFSFP-UHFFFAOYSA-N 0 0 242.347 3.646 20 0 BHADRN CC(C)c1nccc(SC2CCCC2)n1 ZINC000110111803 490103740 /nfs/dbraw/zinc/10/37/40/490103740.db2.gz STIURLYVMVOEOW-UHFFFAOYSA-N 0 0 222.357 3.635 20 0 BHADRN Fc1ccc(Sc2ccnc(C3CC3)n2)cc1 ZINC000110112087 387059329 /nfs/dbraw/zinc/05/93/29/387059329.db2.gz AQPSVDZSBOSCMX-UHFFFAOYSA-N 0 0 246.310 3.644 20 0 BHADRN CCc1cccc(Oc2ccnc(C3CC3)n2)c1 ZINC000110112114 385212850 /nfs/dbraw/zinc/21/28/50/385212850.db2.gz CDFDCMYEYQMGRI-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/16/63/44/323166344.db2.gz VJWNTKURJRHVSA-OAHLLOKOSA-N 0 0 245.366 3.608 20 0 BHADRN Cc1ccccc1[C@@H](NC(=O)C1CCC1)C(C)C ZINC000112190881 323166391 /nfs/dbraw/zinc/16/63/91/323166391.db2.gz VJWNTKURJRHVSA-HNNXBMFYSA-N 0 0 245.366 3.608 20 0 BHADRN CCCC(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000112191160 323166350 /nfs/dbraw/zinc/16/63/50/323166350.db2.gz IHTKIPXXFAARNN-OAHLLOKOSA-N 0 0 233.355 3.608 20 0 BHADRN CCCC(=O)N[C@H](c1ccccc1C)C(C)C ZINC000112191162 323166377 /nfs/dbraw/zinc/16/63/77/323166377.db2.gz IHTKIPXXFAARNN-HNNXBMFYSA-N 0 0 233.355 3.608 20 0 BHADRN CC(C)=CC(=O)N[C@@H](c1ccccc1C)C(C)C ZINC000112191434 588785117 /nfs/dbraw/zinc/78/51/17/588785117.db2.gz RGPHOFDHICLKBB-MRXNPFEDSA-N 0 0 245.366 3.775 20 0 BHADRN CC(C)=CC(=O)N[C@H](c1ccccc1C)C(C)C ZINC000112191435 588785309 /nfs/dbraw/zinc/78/53/09/588785309.db2.gz RGPHOFDHICLKBB-INIZCTEOSA-N 0 0 245.366 3.775 20 0 BHADRN CC(C)(C)C(=O)N1CCC2(CCCCC2)CC1 ZINC000112204004 166523763 /nfs/dbraw/zinc/52/37/63/166523763.db2.gz MSXCJTUGQFHKJS-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC(C)(C)CCOC(=O)c1cccc(F)c1F ZINC000112205177 588785943 /nfs/dbraw/zinc/78/59/43/588785943.db2.gz CZGHIPLPQZSPLU-UHFFFAOYSA-N 0 0 242.265 3.558 20 0 BHADRN CSc1ccc(C(=O)Nc2cccc(C)c2)o1 ZINC000112227238 175574768 /nfs/dbraw/zinc/57/47/68/175574768.db2.gz CFXSRHDDFASRST-UHFFFAOYSA-N 0 0 247.319 3.562 20 0 BHADRN CSc1ccc(C(=O)Nc2ccccc2C)o1 ZINC000112227241 385835398 /nfs/dbraw/zinc/83/53/98/385835398.db2.gz XEZHMYGMNZOGCM-UHFFFAOYSA-N 0 0 247.319 3.562 20 0 BHADRN Cc1cc(C(=O)N[C@H](C)C(C)(C)C)sc1C ZINC000112249579 368868616 /nfs/dbraw/zinc/86/86/16/368868616.db2.gz ZWCRFEWBQQHLNR-SNVBAGLBSA-N 0 0 239.384 3.529 20 0 BHADRN CCCCCCC(=O)N[C@H](C)C(C)(C)C ZINC000112250528 588788856 /nfs/dbraw/zinc/78/88/56/588788856.db2.gz JOEREPXQSKLDEX-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN C[C@@H](NC(=O)C[C@H](C)c1ccccc1)C(C)(C)C ZINC000112251010 368870003 /nfs/dbraw/zinc/87/00/03/368870003.db2.gz GBUODWLZOWHGFX-QWHCGFSZSA-N 0 0 247.382 3.731 20 0 BHADRN C[C@H](CC(=O)N[C@H](C)C(C)(C)C)c1ccccc1 ZINC000112251011 368869751 /nfs/dbraw/zinc/86/97/51/368869751.db2.gz GBUODWLZOWHGFX-CHWSQXEVSA-N 0 0 247.382 3.731 20 0 BHADRN C[C@@H](NC(=O)C1CCCCCC1)C(C)(C)C ZINC000112251187 368869219 /nfs/dbraw/zinc/86/92/19/368869219.db2.gz BPURXVHHSPVSRJ-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(=O)N[C@@H](CC(C)C)c1ccccc1C ZINC000112257770 168236696 /nfs/dbraw/zinc/23/66/96/168236696.db2.gz IUPKANGHVDSVAY-AWEZNQCLSA-N 0 0 233.355 3.608 20 0 BHADRN CCC(=O)N[C@H](CC(C)C)c1ccccc1C ZINC000112257771 168240410 /nfs/dbraw/zinc/24/04/10/168240410.db2.gz IUPKANGHVDSVAY-CQSZACIVSA-N 0 0 233.355 3.608 20 0 BHADRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)C1CC1 ZINC000112257863 179323532 /nfs/dbraw/zinc/32/35/32/179323532.db2.gz NVEAWKRSYGWINS-OAHLLOKOSA-N 0 0 245.366 3.608 20 0 BHADRN Cc1ccccc1[C@H](CC(C)C)NC(=O)C1CC1 ZINC000112257864 179340249 /nfs/dbraw/zinc/34/02/49/179340249.db2.gz NVEAWKRSYGWINS-HNNXBMFYSA-N 0 0 245.366 3.608 20 0 BHADRN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(C)C ZINC000112258091 323167797 /nfs/dbraw/zinc/16/77/97/323167797.db2.gz DRDAVWJOOCUMCS-OAHLLOKOSA-N 0 0 247.382 3.807 20 0 BHADRN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(C)C ZINC000112258093 323167877 /nfs/dbraw/zinc/16/78/77/323167877.db2.gz DRDAVWJOOCUMCS-HNNXBMFYSA-N 0 0 247.382 3.807 20 0 BHADRN CCCC(=O)N(C)[C@@H](c1ccccc1C)C(C)C ZINC000112258546 323167849 /nfs/dbraw/zinc/16/78/49/323167849.db2.gz PLULXIGYWLDRMU-MRXNPFEDSA-N 0 0 247.382 3.951 20 0 BHADRN CCCC(=O)N(C)[C@H](c1ccccc1C)C(C)C ZINC000112258548 323167858 /nfs/dbraw/zinc/16/78/58/323167858.db2.gz PLULXIGYWLDRMU-INIZCTEOSA-N 0 0 247.382 3.951 20 0 BHADRN CCC(=O)N(C)[C@@H](c1ccccc1C)C(C)C ZINC000112258685 323167878 /nfs/dbraw/zinc/16/78/78/323167878.db2.gz WVSWRTIPTZFWPZ-OAHLLOKOSA-N 0 0 233.355 3.561 20 0 BHADRN CCC(=O)N(C)[C@H](c1ccccc1C)C(C)C ZINC000112258686 323167838 /nfs/dbraw/zinc/16/78/38/323167838.db2.gz WVSWRTIPTZFWPZ-HNNXBMFYSA-N 0 0 233.355 3.561 20 0 BHADRN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C1CC1 ZINC000112258801 323167829 /nfs/dbraw/zinc/16/78/29/323167829.db2.gz WOEYUQFPTIEHGB-OAHLLOKOSA-N 0 0 245.366 3.561 20 0 BHADRN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C1CC1 ZINC000112258802 323167871 /nfs/dbraw/zinc/16/78/71/323167871.db2.gz WOEYUQFPTIEHGB-HNNXBMFYSA-N 0 0 245.366 3.561 20 0 BHADRN CCCC[C@@H](CC)C(=O)Nc1ccnc(C)c1 ZINC000112298295 350654385 /nfs/dbraw/zinc/65/43/85/350654385.db2.gz VWGMZMFESVSTII-GFCCVEGCSA-N 0 0 234.343 3.545 20 0 BHADRN CCCC[C@H](CC)C(=O)Nc1ccnc(C)c1 ZINC000112298296 350654457 /nfs/dbraw/zinc/65/44/57/350654457.db2.gz VWGMZMFESVSTII-LBPRGKRZSA-N 0 0 234.343 3.545 20 0 BHADRN Cc1cccc(NC(=O)N[C@H](C)C(C)(C)C)c1 ZINC000112384145 368871138 /nfs/dbraw/zinc/87/11/38/368871138.db2.gz GNKQLOHFQDKQHT-LLVKDONJSA-N 0 0 234.343 3.551 20 0 BHADRN CCN(C/C=C/c1ccccc1)CC(F)(F)F ZINC000112407885 323169817 /nfs/dbraw/zinc/16/98/17/323169817.db2.gz SNRIZXSUKNFAPJ-RMKNXTFCSA-N 0 0 243.272 3.584 20 0 BHADRN Cc1ccc(C)c(NC(=O)N[C@H](C)C(C)(C)C)c1 ZINC000112412937 411209332 /nfs/dbraw/zinc/20/93/32/411209332.db2.gz AALLPTIEYHKFOQ-GFCCVEGCSA-N 0 0 248.370 3.860 20 0 BHADRN Cc1ccccc1NC(=O)N[C@H](C)C(C)(C)C ZINC000112413073 368870823 /nfs/dbraw/zinc/87/08/23/368870823.db2.gz SFHFGKNEFTVHEU-LLVKDONJSA-N 0 0 234.343 3.551 20 0 BHADRN Cc1cccc(NC(=O)N[C@H](C)C(C)(C)C)c1C ZINC000112413100 368870691 /nfs/dbraw/zinc/87/06/91/368870691.db2.gz CPVBUSWDTVCZQN-GFCCVEGCSA-N 0 0 248.370 3.860 20 0 BHADRN Cc1ccc(NC(=O)N[C@H](C)C(C)(C)C)c(C)c1 ZINC000112413133 368870665 /nfs/dbraw/zinc/87/06/65/368870665.db2.gz LBFOWOMOVAGPSM-GFCCVEGCSA-N 0 0 248.370 3.860 20 0 BHADRN Cc1cccc(C)c1NC(=O)N[C@H](C)C(C)(C)C ZINC000112414842 368870710 /nfs/dbraw/zinc/87/07/10/368870710.db2.gz AXXHCFRFOQSITO-GFCCVEGCSA-N 0 0 248.370 3.860 20 0 BHADRN CC[C@@H](Cc1ccccc1)Nc1nccs1 ZINC000112466141 588799160 /nfs/dbraw/zinc/79/91/60/588799160.db2.gz INSZFFSQKFUNMI-LBPRGKRZSA-N 0 0 232.352 3.576 20 0 BHADRN CC[C@H](Cc1ccccc1)Nc1nccs1 ZINC000112466143 588799124 /nfs/dbraw/zinc/79/91/24/588799124.db2.gz INSZFFSQKFUNMI-GFCCVEGCSA-N 0 0 232.352 3.576 20 0 BHADRN c1csc(Sc2ccnc(C3CC3)n2)c1 ZINC000112514984 383928399 /nfs/dbraw/zinc/92/83/99/383928399.db2.gz IJLYOXWXSBUTIE-UHFFFAOYSA-N 0 0 234.349 3.567 20 0 BHADRN Cc1nnc([C@@H](C)Nc2ccc(C(C)C)cc2)o1 ZINC000112515515 180442704 /nfs/dbraw/zinc/44/27/04/180442704.db2.gz NWYCOMAJLLCDEN-SNVBAGLBSA-N 0 0 245.326 3.675 20 0 BHADRN Cc1nnc([C@H](C)Nc2ccc(C(C)C)cc2)o1 ZINC000112515517 383928578 /nfs/dbraw/zinc/92/85/78/383928578.db2.gz NWYCOMAJLLCDEN-JTQLQIEISA-N 0 0 245.326 3.675 20 0 BHADRN CCCc1ccc(N[C@@H](C)c2nnc(C)o2)cc1 ZINC000112516525 588800698 /nfs/dbraw/zinc/80/06/98/588800698.db2.gz OTFMGWBGIPOOJT-JTQLQIEISA-N 0 0 245.326 3.504 20 0 BHADRN CCCc1ccc(N[C@H](C)c2nnc(C)o2)cc1 ZINC000112516527 588800849 /nfs/dbraw/zinc/80/08/49/588800849.db2.gz OTFMGWBGIPOOJT-SNVBAGLBSA-N 0 0 245.326 3.504 20 0 BHADRN CCC(CC)Sc1ccnc(C2CC2)n1 ZINC000112554875 168397237 /nfs/dbraw/zinc/39/72/37/168397237.db2.gz CSRPRRFWRLRFQK-UHFFFAOYSA-N 0 0 222.357 3.635 20 0 BHADRN CCN(C)C(=O)C(C)(C)CCCc1ccccc1 ZINC000112570679 323171173 /nfs/dbraw/zinc/17/11/73/323171173.db2.gz CFVDVMPPPCFGOH-UHFFFAOYSA-N 0 0 247.382 3.514 20 0 BHADRN CCCCCCC(=O)NC/C=C/c1ccccc1 ZINC000112585192 588804484 /nfs/dbraw/zinc/80/44/84/588804484.db2.gz ZGYYDLWVGQLHQG-FMIVXFBMSA-N 0 0 245.366 3.786 20 0 BHADRN c1ccc2c(c1)cccc2NCC[C@@H]1CCCO1 ZINC000112585795 398145201 /nfs/dbraw/zinc/14/52/01/398145201.db2.gz VOZXZGRJLWBSLM-AWEZNQCLSA-N 0 0 241.334 3.821 20 0 BHADRN c1ccc2c(c1)cccc2NCC[C@H]1CCCO1 ZINC000112585798 398145638 /nfs/dbraw/zinc/14/56/38/398145638.db2.gz VOZXZGRJLWBSLM-CQSZACIVSA-N 0 0 241.334 3.821 20 0 BHADRN CC(C)c1ccc(NCC[C@@H]2CCCO2)cc1 ZINC000112585854 323170959 /nfs/dbraw/zinc/17/09/59/323170959.db2.gz XVVLHYGTCRMZFB-HNNXBMFYSA-N 0 0 233.355 3.791 20 0 BHADRN CC(C)c1ccc(NCC[C@H]2CCCO2)cc1 ZINC000112585856 323170924 /nfs/dbraw/zinc/17/09/24/323170924.db2.gz XVVLHYGTCRMZFB-OAHLLOKOSA-N 0 0 233.355 3.791 20 0 BHADRN CCCC(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000112586493 383932163 /nfs/dbraw/zinc/93/21/63/383932163.db2.gz PRQDZFSGXFPIAK-OAHLLOKOSA-N 0 0 233.355 3.642 20 0 BHADRN CCCC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000112586496 383930587 /nfs/dbraw/zinc/93/05/87/383930587.db2.gz PRQDZFSGXFPIAK-HNNXBMFYSA-N 0 0 233.355 3.642 20 0 BHADRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)CC1CC1 ZINC000112586784 383932323 /nfs/dbraw/zinc/93/23/23/383932323.db2.gz YYDCJMUDFANPIP-INIZCTEOSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)[C@H](c1ccccc1)N(C)C(=O)CC1CC1 ZINC000112586786 383930781 /nfs/dbraw/zinc/93/07/81/383930781.db2.gz YYDCJMUDFANPIP-MRXNPFEDSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)=CC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000112587205 383931998 /nfs/dbraw/zinc/93/19/98/383931998.db2.gz VLGOSQHKRVIWIF-INIZCTEOSA-N 0 0 245.366 3.808 20 0 BHADRN CC(C)=CC(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000112587208 187981220 /nfs/dbraw/zinc/98/12/20/187981220.db2.gz VLGOSQHKRVIWIF-MRXNPFEDSA-N 0 0 245.366 3.808 20 0 BHADRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)C1CCC1 ZINC000112587370 383930724 /nfs/dbraw/zinc/93/07/24/383930724.db2.gz NSCWKVXDBVRHMK-HNNXBMFYSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)[C@H](c1ccccc1)N(C)C(=O)C1CCC1 ZINC000112587373 188327347 /nfs/dbraw/zinc/32/73/47/188327347.db2.gz NSCWKVXDBVRHMK-OAHLLOKOSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@@H](C)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000112587990 323171017 /nfs/dbraw/zinc/17/10/17/323171017.db2.gz IYVLSDLTSXIGLJ-UKRRQHHQSA-N 0 0 247.382 3.888 20 0 BHADRN CC[C@H](C)C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000112587992 323170942 /nfs/dbraw/zinc/17/09/42/323170942.db2.gz IYVLSDLTSXIGLJ-DZGCQCFKSA-N 0 0 247.382 3.888 20 0 BHADRN CC[C@@H](C)C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000112587994 323170879 /nfs/dbraw/zinc/17/08/79/323170879.db2.gz IYVLSDLTSXIGLJ-HIFRSBDPSA-N 0 0 247.382 3.888 20 0 BHADRN CC[C@H](C)C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000112587996 323170986 /nfs/dbraw/zinc/17/09/86/323170986.db2.gz IYVLSDLTSXIGLJ-ZFWWWQNUSA-N 0 0 247.382 3.888 20 0 BHADRN CC(C)CC(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000112588047 323170898 /nfs/dbraw/zinc/17/08/98/323170898.db2.gz BGPLTQMBLPAGPG-MRXNPFEDSA-N 0 0 247.382 3.888 20 0 BHADRN CC(C)CC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000112588048 323170981 /nfs/dbraw/zinc/17/09/81/323170981.db2.gz BGPLTQMBLPAGPG-INIZCTEOSA-N 0 0 247.382 3.888 20 0 BHADRN C[C@@H](CC1CC1)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000112604011 323171123 /nfs/dbraw/zinc/17/11/23/323171123.db2.gz NIHQWDSYHMEHRB-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC1CC1)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000112604013 323171019 /nfs/dbraw/zinc/17/10/19/323171019.db2.gz NIHQWDSYHMEHRB-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC1CC1)NC(=O)CCCC(C)(C)C ZINC000112605237 323171106 /nfs/dbraw/zinc/17/11/06/323171106.db2.gz DNJNHNQLSQAIMJ-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H](CC1CC1)NC(=O)CCCC(C)(C)C ZINC000112605240 323171067 /nfs/dbraw/zinc/17/10/67/323171067.db2.gz DNJNHNQLSQAIMJ-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@@H](CC)C(=O)N[C@@H](C)CC1CC1 ZINC000112605599 323171068 /nfs/dbraw/zinc/17/10/68/323171068.db2.gz VZCLZISYMBARJA-WCQYABFASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@@H](C)CC1CC1 ZINC000112605601 323171076 /nfs/dbraw/zinc/17/10/76/323171076.db2.gz VZCLZISYMBARJA-AAEUAGOBSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@@H](CC)C(=O)N[C@H](C)CC1CC1 ZINC000112605602 323171113 /nfs/dbraw/zinc/17/11/13/323171113.db2.gz VZCLZISYMBARJA-DGCLKSJQSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@H](C)CC1CC1 ZINC000112605603 323171107 /nfs/dbraw/zinc/17/11/07/323171107.db2.gz VZCLZISYMBARJA-YPMHNXCESA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](CC1CC1)NC(=O)CCC1CCCCC1 ZINC000112608437 323171080 /nfs/dbraw/zinc/17/10/80/323171080.db2.gz RRUXIMRSRCOZCN-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](CC1CC1)NC(=O)CCC1CCCCC1 ZINC000112608438 323171031 /nfs/dbraw/zinc/17/10/31/323171031.db2.gz RRUXIMRSRCOZCN-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCN(CC(F)F)c2ccccc2S1 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CCc1ccc(NC(=O)N[C@H](C)CC2CC2)cc1 ZINC000112733132 323171892 /nfs/dbraw/zinc/17/18/92/323171892.db2.gz AFTYYJZILXUGJI-LLVKDONJSA-N 0 0 246.354 3.559 20 0 BHADRN CCc1cccc(NC(=O)N[C@@H](C)CC2CC2)c1 ZINC000112733318 323171917 /nfs/dbraw/zinc/17/19/17/323171917.db2.gz MJKQIDJANJYSAQ-NSHDSACASA-N 0 0 246.354 3.559 20 0 BHADRN CCc1cccc(NC(=O)N[C@H](C)CC2CC2)c1 ZINC000112733319 323171965 /nfs/dbraw/zinc/17/19/65/323171965.db2.gz MJKQIDJANJYSAQ-LLVKDONJSA-N 0 0 246.354 3.559 20 0 BHADRN Cc1cccc(C)c1NC(=O)N[C@@H](C)CC1CC1 ZINC000112733447 179041109 /nfs/dbraw/zinc/04/11/09/179041109.db2.gz SYVWFTWBNAUPBJ-LBPRGKRZSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1cccc(C)c1NC(=O)N[C@H](C)CC1CC1 ZINC000112733448 179042512 /nfs/dbraw/zinc/04/25/12/179042512.db2.gz SYVWFTWBNAUPBJ-GFCCVEGCSA-N 0 0 246.354 3.614 20 0 BHADRN CCc1ccccc1NC(=O)N[C@@H](C)CC1CC1 ZINC000112733591 323171909 /nfs/dbraw/zinc/17/19/09/323171909.db2.gz YBQPGKKLUYSSBG-NSHDSACASA-N 0 0 246.354 3.559 20 0 BHADRN CCc1ccccc1NC(=O)N[C@H](C)CC1CC1 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20 0 BHADRN CCC(C)(C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000112862858 168269557 /nfs/dbraw/zinc/26/95/57/168269557.db2.gz NKKZGVGGNFSVHP-UHFFFAOYSA-N 0 0 230.311 3.543 20 0 BHADRN C[C@@H](c1ccc(Cl)cc1)N(C)CC(F)F ZINC000112976582 323172538 /nfs/dbraw/zinc/17/25/38/323172538.db2.gz XDSMVBGJTFRYPO-QMMMGPOBSA-N 0 0 233.689 3.598 20 0 BHADRN C[C@H](c1ccc(Cl)cc1)N(C)CC(F)F ZINC000112976583 323172501 /nfs/dbraw/zinc/17/25/01/323172501.db2.gz XDSMVBGJTFRYPO-MRVPVSSYSA-N 0 0 233.689 3.598 20 0 BHADRN C[C@@H](c1cccc(Cl)c1)N(C)CC(F)F ZINC000112977300 323172444 /nfs/dbraw/zinc/17/24/44/323172444.db2.gz JCGIBVDCCNYHNL-QMMMGPOBSA-N 0 0 233.689 3.598 20 0 BHADRN C[C@H](c1cccc(Cl)c1)N(C)CC(F)F ZINC000112977302 323172536 /nfs/dbraw/zinc/17/25/36/323172536.db2.gz JCGIBVDCCNYHNL-MRVPVSSYSA-N 0 0 233.689 3.598 20 0 BHADRN C[C@@H](c1ccccc1Cl)N(C)CC(F)F ZINC000112977307 323172561 /nfs/dbraw/zinc/17/25/61/323172561.db2.gz VVFBLWFYOYMVBS-QMMMGPOBSA-N 0 0 233.689 3.598 20 0 BHADRN C[C@H](c1ccccc1Cl)N(C)CC(F)F 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ZINC000113069828 588824551 /nfs/dbraw/zinc/82/45/51/588824551.db2.gz SQKSPHFHPDALGR-SECBINFHSA-N 0 0 239.746 3.657 20 0 BHADRN CC[C@H](C)C(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000113069830 588824430 /nfs/dbraw/zinc/82/44/30/588824430.db2.gz SQKSPHFHPDALGR-VIFPVBQESA-N 0 0 239.746 3.657 20 0 BHADRN CCCCC(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000113070263 585023358 /nfs/dbraw/zinc/02/33/58/585023358.db2.gz AFGLXQSORTVRAB-UHFFFAOYSA-N 0 0 239.746 3.801 20 0 BHADRN Cc1ccc(N(C)C(=O)c2ccco2)cc1Cl ZINC000113070276 588824555 /nfs/dbraw/zinc/82/45/55/588824555.db2.gz GCYCBANDYLIGQB-UHFFFAOYSA-N 0 0 249.697 3.518 20 0 BHADRN CC(C)C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000113096251 383965610 /nfs/dbraw/zinc/96/56/10/383965610.db2.gz OUIVIXPRUIVOMD-UHFFFAOYSA-N 0 0 246.137 3.612 20 0 BHADRN CCCC(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000113098078 386832640 /nfs/dbraw/zinc/83/26/40/386832640.db2.gz BNOPQRUFSBYWSE-UHFFFAOYSA-N 0 0 246.137 3.756 20 0 BHADRN CCc1noc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000113101805 345690985 /nfs/dbraw/zinc/69/09/85/345690985.db2.gz QHMZYUSBRUMRQT-UHFFFAOYSA-N 0 0 230.311 3.597 20 0 BHADRN CCc1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000113102379 353150706 /nfs/dbraw/zinc/15/07/06/353150706.db2.gz HMQGHUMFFMBLRM-UHFFFAOYSA-N 0 0 243.093 3.606 20 0 BHADRN C=Cc1ccccc1OC(=O)OC(C)(C)C ZINC000113138267 588825917 /nfs/dbraw/zinc/82/59/17/588825917.db2.gz HJZTVYJESLQAEJ-UHFFFAOYSA-N 0 0 220.268 3.644 20 0 BHADRN CCC[C@@H](CC1CCCC1)C(=O)NC(C)C ZINC000113139947 323173426 /nfs/dbraw/zinc/17/34/26/323173426.db2.gz HIJNIRIUCKGQQM-ZDUSSCGKSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC1CCCC1)C(=O)NC(C)C ZINC000113139949 323173437 /nfs/dbraw/zinc/17/34/37/323173437.db2.gz HIJNIRIUCKGQQM-CYBMUJFWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](CC1CCCC1)C(=O)NCC1CC1 ZINC000113144988 323173192 /nfs/dbraw/zinc/17/31/92/323173192.db2.gz JNGGBBTVNVSALO-AWEZNQCLSA-N 0 0 237.387 3.509 20 0 BHADRN CCC[C@H](CC1CCCC1)C(=O)NCC1CC1 ZINC000113144989 323173172 /nfs/dbraw/zinc/17/31/72/323173172.db2.gz JNGGBBTVNVSALO-CQSZACIVSA-N 0 0 237.387 3.509 20 0 BHADRN CCC(C)(C)C(=O)OC1CCCCCC1 ZINC000113185611 588826447 /nfs/dbraw/zinc/82/64/47/588826447.db2.gz QPYKHBUSKYIGKQ-UHFFFAOYSA-N 0 0 212.333 3.689 20 0 BHADRN CC[C@@H](C(=O)Oc1ccccc1)c1ccccc1 ZINC000113222949 592708960 /nfs/dbraw/zinc/70/89/60/592708960.db2.gz USOFKNJNPHEBDW-OAHLLOKOSA-N 0 0 240.302 3.786 20 0 BHADRN CC[C@H](C(=O)Oc1ccccc1)c1ccccc1 ZINC000113222951 592708951 /nfs/dbraw/zinc/70/89/51/592708951.db2.gz USOFKNJNPHEBDW-HNNXBMFYSA-N 0 0 240.302 3.786 20 0 BHADRN CCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000113225437 345691347 /nfs/dbraw/zinc/69/13/47/345691347.db2.gz PWRCIRVLOJKTIB-UHFFFAOYSA-N 0 0 230.311 3.597 20 0 BHADRN CCCCCOC(=O)CC1CCCCC1 ZINC000113290677 642893582 /nfs/dbraw/zinc/89/35/82/642893582.db2.gz SOVXRHGOLNRWLN-UHFFFAOYSA-N 0 0 212.333 3.690 20 0 BHADRN CC(C)c1csc(COCc2ccccc2)n1 ZINC000113306452 354651914 /nfs/dbraw/zinc/65/19/14/354651914.db2.gz GWVCAJKXZFDVOP-UHFFFAOYSA-N 0 0 247.363 3.983 20 0 BHADRN CCc1nc(COCc2ccccc2)sc1C ZINC000113306455 354651932 /nfs/dbraw/zinc/65/19/32/354651932.db2.gz ZVMFBIOYAYHPIV-UHFFFAOYSA-N 0 0 247.363 3.731 20 0 BHADRN c1sc(COCc2ccccc2)nc1C1CC1 ZINC000113306474 354651954 /nfs/dbraw/zinc/65/19/54/354651954.db2.gz OXWXWCNZIJXHFR-UHFFFAOYSA-N 0 0 245.347 3.737 20 0 BHADRN Cc1ccc2c(c1)[C@H](Nc1nccs1)CC2 ZINC000113310358 588831194 /nfs/dbraw/zinc/83/11/94/588831194.db2.gz IBJJXKIUXZQBER-GFCCVEGCSA-N 0 0 230.336 3.551 20 0 BHADRN Cc1ccc2c(c1)[C@@H](Nc1nccs1)CC2 ZINC000113310360 588831049 /nfs/dbraw/zinc/83/10/49/588831049.db2.gz IBJJXKIUXZQBER-LBPRGKRZSA-N 0 0 230.336 3.551 20 0 BHADRN Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccs1)CC2 ZINC000113310425 383977037 /nfs/dbraw/zinc/97/70/37/383977037.db2.gz RTZZNNXWUNOVDE-OAHLLOKOSA-N 0 0 243.375 3.834 20 0 BHADRN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccs1)CC2 ZINC000113310427 383976322 /nfs/dbraw/zinc/97/63/22/383976322.db2.gz RTZZNNXWUNOVDE-HNNXBMFYSA-N 0 0 243.375 3.834 20 0 BHADRN Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccsc1)CC2 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CC(C)C[C@@H](C)CC(=O)O[C@H](C)c1cccnc1 ZINC000113484697 588842020 /nfs/dbraw/zinc/84/20/20/588842020.db2.gz DLXVARTXRMGUHF-CHWSQXEVSA-N 0 0 249.354 3.758 20 0 BHADRN CC(C)C[C@H](C)CC(=O)O[C@H](C)c1cccnc1 ZINC000113484700 588842073 /nfs/dbraw/zinc/84/20/73/588842073.db2.gz DLXVARTXRMGUHF-QWHCGFSZSA-N 0 0 249.354 3.758 20 0 BHADRN C[C@H](OC(=O)CCCC(C)(C)C)c1cccnc1 ZINC000113485727 588842017 /nfs/dbraw/zinc/84/20/17/588842017.db2.gz ANYLLALILMYXBL-LBPRGKRZSA-N 0 0 249.354 3.902 20 0 BHADRN C[C@@H](OC(=O)CCCC(C)(C)C)c1cccnc1 ZINC000113485730 588842060 /nfs/dbraw/zinc/84/20/60/588842060.db2.gz ANYLLALILMYXBL-GFCCVEGCSA-N 0 0 249.354 3.902 20 0 BHADRN CC[C@@H](CC(=O)O[C@@H](C)c1cccnc1)C(C)C ZINC000113486018 588842191 /nfs/dbraw/zinc/84/21/91/588842191.db2.gz GACBMGAPFBCFDF-STQMWFEESA-N 0 0 249.354 3.758 20 0 BHADRN CC[C@H](CC(=O)O[C@@H](C)c1cccnc1)C(C)C ZINC000113486020 588842101 /nfs/dbraw/zinc/84/21/01/588842101.db2.gz GACBMGAPFBCFDF-QWHCGFSZSA-N 0 0 249.354 3.758 20 0 BHADRN 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CCC(=O)CCSc1ccccc1Cl ZINC000117546746 589103211 /nfs/dbraw/zinc/10/32/11/589103211.db2.gz PIMCBHOANWMCJU-UHFFFAOYSA-N 0 0 228.744 3.801 20 0 BHADRN CCC(=O)CCSc1ccc(C)c(C)c1 ZINC000117547849 589103409 /nfs/dbraw/zinc/10/34/09/589103409.db2.gz XKWZAXMDOGYCGZ-UHFFFAOYSA-N 0 0 222.353 3.765 20 0 BHADRN CCC(=O)CCSc1cc(C)ccc1C ZINC000117547878 589103421 /nfs/dbraw/zinc/10/34/21/589103421.db2.gz PYLPUDZNNUJKMR-UHFFFAOYSA-N 0 0 222.353 3.765 20 0 BHADRN CCC(=O)CCSc1ccc(C)cc1C ZINC000117547882 589103423 /nfs/dbraw/zinc/10/34/23/589103423.db2.gz XIBNDIPYGUVSER-UHFFFAOYSA-N 0 0 222.353 3.765 20 0 BHADRN CCC(=O)CCSc1ccc2c(c1)CCC2 ZINC000117548816 589102923 /nfs/dbraw/zinc/10/29/23/589102923.db2.gz MVHQXOMTPGGOAU-UHFFFAOYSA-N 0 0 234.364 3.637 20 0 BHADRN CCC(=O)CCSc1ccc(F)c(Cl)c1 ZINC000117548824 582828031 /nfs/dbraw/zinc/82/80/31/582828031.db2.gz JOLBWIDZTDAGFQ-UHFFFAOYSA-N 0 0 246.734 3.940 20 0 BHADRN CCOc1ccc(SCCC(=O)CC)cc1 ZINC000117549935 589103185 /nfs/dbraw/zinc/10/31/85/589103185.db2.gz SQXXGFPAFRISOD-UHFFFAOYSA-N 0 0 238.352 3.547 20 0 BHADRN CCC(=O)CCSc1cccc(Cl)c1 ZINC000117552615 589103457 /nfs/dbraw/zinc/10/34/57/589103457.db2.gz BJHDHXKQLDFORF-UHFFFAOYSA-N 0 0 228.744 3.801 20 0 BHADRN CCCCCCn1cnc(-c2ccccc2)n1 ZINC000117556207 589103578 /nfs/dbraw/zinc/10/35/78/589103578.db2.gz IZQYYTIMPHLNQG-UHFFFAOYSA-N 0 0 229.327 3.525 20 0 BHADRN O=C(/C=C/C1CCCCC1)Nc1ccccc1F ZINC000117562473 589105041 /nfs/dbraw/zinc/10/50/41/589105041.db2.gz YVWASHYYRAVDOX-ZHACJKMWSA-N 0 0 247.313 3.901 20 0 BHADRN O=C(/C=C/C1CCCCC1)NCc1cccs1 ZINC000117570777 388089539 /nfs/dbraw/zinc/08/95/39/388089539.db2.gz MMCWJBCPKRLKAB-CMDGGOBGSA-N 0 0 249.379 3.501 20 0 BHADRN CCN(C(=O)CCCC(C)(C)C)c1ccncc1 ZINC000117662998 387027098 /nfs/dbraw/zinc/02/70/98/387027098.db2.gz ZVRHQLWELUJGHG-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CCN(C(=O)C[C@@H](C)C(C)(C)C)c1ccncc1 ZINC000117665156 385674581 /nfs/dbraw/zinc/67/45/81/385674581.db2.gz DTEXLTFOWKYXTJ-GFCCVEGCSA-N 0 0 248.370 3.507 20 0 BHADRN CCN(C(=O)C[C@H](C)C(C)(C)C)c1ccncc1 ZINC000117665158 385674798 /nfs/dbraw/zinc/67/47/98/385674798.db2.gz DTEXLTFOWKYXTJ-LBPRGKRZSA-N 0 0 248.370 3.507 20 0 BHADRN CCN(C(=O)C[C@@H](C)CC(C)C)c1ccncc1 ZINC000117665244 384179433 /nfs/dbraw/zinc/17/94/33/384179433.db2.gz OSNGMWKDSGJALI-ZDUSSCGKSA-N 0 0 248.370 3.507 20 0 BHADRN CCN(C(=O)C[C@H](C)CC(C)C)c1ccncc1 ZINC000117665246 384178996 /nfs/dbraw/zinc/17/89/96/384178996.db2.gz OSNGMWKDSGJALI-CYBMUJFWSA-N 0 0 248.370 3.507 20 0 BHADRN CC[C@@H](CC(=O)N(CC)c1ccncc1)C(C)C ZINC000117666131 170812551 /nfs/dbraw/zinc/81/25/51/170812551.db2.gz WWLCWYIAXWDYIZ-ZDUSSCGKSA-N 0 0 248.370 3.507 20 0 BHADRN CC[C@H](CC(=O)N(CC)c1ccncc1)C(C)C ZINC000117666132 384179486 /nfs/dbraw/zinc/17/94/86/384179486.db2.gz WWLCWYIAXWDYIZ-CYBMUJFWSA-N 0 0 248.370 3.507 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)NC(C1CCCC1)C1CCCC1 ZINC000117691855 589116850 /nfs/dbraw/zinc/11/68/50/589116850.db2.gz MXZHIEYXRMYYQE-RISCZKNCSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)NC(C1CCCC1)C1CCCC1 ZINC000117691858 589117012 /nfs/dbraw/zinc/11/70/12/589117012.db2.gz MXZHIEYXRMYYQE-FZMZJTMJSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)NC(C1CCCC1)C1CCCC1 ZINC000117691859 589116856 /nfs/dbraw/zinc/11/68/56/589116856.db2.gz MXZHIEYXRMYYQE-BXUZGUMPSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1C[C@H]1C(=O)NC(C1CCCC1)C1CCCC1 ZINC000117691862 589117077 /nfs/dbraw/zinc/11/70/77/589117077.db2.gz MXZHIEYXRMYYQE-SMDDNHRTSA-N 0 0 249.398 3.508 20 0 BHADRN O=C(NC(C1CCCC1)C1CCCC1)C1CCC1 ZINC000117691882 589116994 /nfs/dbraw/zinc/11/69/94/589116994.db2.gz PMPQHINVZRPECO-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000117692447 589116788 /nfs/dbraw/zinc/11/67/88/589116788.db2.gz JFLVSXGANFFXFX-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC(=O)NC(C1CCCC1)C1CCCC1 ZINC000117692450 589116911 /nfs/dbraw/zinc/11/69/11/589116911.db2.gz UUUUONFZUSZTBK-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117719800 387027107 /nfs/dbraw/zinc/02/71/07/387027107.db2.gz KBWDFCTWMMJNEX-UHFFFAOYSA-N 0 0 249.379 3.554 20 0 BHADRN CCC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000117732032 168236305 /nfs/dbraw/zinc/23/63/05/168236305.db2.gz NCEMIGZWEHFUNA-ZETCQYMHSA-N 0 0 246.137 3.581 20 0 BHADRN CCC(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000117732034 168239376 /nfs/dbraw/zinc/23/93/76/168239376.db2.gz NCEMIGZWEHFUNA-SSDOTTSWSA-N 0 0 246.137 3.581 20 0 BHADRN CCCCC(=O)Oc1cccc(C(F)(F)F)c1 ZINC000117738495 643705846 /nfs/dbraw/zinc/70/58/46/643705846.db2.gz VZTSIABKYYMBOO-UHFFFAOYSA-N 0 0 246.228 3.801 20 0 BHADRN CCCCC(=O)Oc1ccc(C(F)(F)F)cc1 ZINC000117743343 631444818 /nfs/dbraw/zinc/44/48/18/631444818.db2.gz SZAWBMNTDMWLBJ-UHFFFAOYSA-N 0 0 246.228 3.801 20 0 BHADRN COCCCCN(C)c1cccc2ccccc21 ZINC000117874312 323901303 /nfs/dbraw/zinc/90/13/03/323901303.db2.gz BRLYCHZJWDGZIJ-UHFFFAOYSA-N 0 0 243.350 3.703 20 0 BHADRN COCCCCN(c1ccccc1C)C(C)C ZINC000117879712 388092651 /nfs/dbraw/zinc/09/26/51/388092651.db2.gz QFJAXXFQLTXHLV-UHFFFAOYSA-N 0 0 235.371 3.636 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)c2ccccc2)c1 ZINC000117914456 343020576 /nfs/dbraw/zinc/02/05/76/343020576.db2.gz ZSKJJDXGFSOHEK-UHFFFAOYSA-N 0 0 246.693 3.868 20 0 BHADRN CCCCCSCc1c(C)noc1C ZINC000117943480 384185701 /nfs/dbraw/zinc/18/57/01/384185701.db2.gz CXBSDFXKCGKXPH-UHFFFAOYSA-N 0 0 213.346 3.715 20 0 BHADRN CCCCCSCc1noc(C(C)(C)C)n1 ZINC000117943604 370986005 /nfs/dbraw/zinc/98/60/05/370986005.db2.gz TYCXDFARYICJPK-UHFFFAOYSA-N 0 0 242.388 3.791 20 0 BHADRN CCCCCSCc1nc(C(C)(C)C)no1 ZINC000117943608 370986140 /nfs/dbraw/zinc/98/61/40/370986140.db2.gz HUOCSKRYVXGFRW-UHFFFAOYSA-N 0 0 242.388 3.791 20 0 BHADRN CCCCCS[C@@H](C)c1nc(C2CC2)no1 ZINC000117943629 386126521 /nfs/dbraw/zinc/12/65/21/386126521.db2.gz VXRFLKWDHHEWCW-VIFPVBQESA-N 0 0 240.372 3.931 20 0 BHADRN CCCCCS[C@H](C)c1nc(C2CC2)no1 ZINC000117943630 386125933 /nfs/dbraw/zinc/12/59/33/386125933.db2.gz VXRFLKWDHHEWCW-SECBINFHSA-N 0 0 240.372 3.931 20 0 BHADRN CCCCCSCc1csc(C)n1 ZINC000117943684 384770609 /nfs/dbraw/zinc/77/06/09/384770609.db2.gz FVPDJGRJXYBFDK-UHFFFAOYSA-N 0 0 215.387 3.875 20 0 BHADRN CCCCCSCc1noc(C(C)C)n1 ZINC000117943689 344764911 /nfs/dbraw/zinc/76/49/11/344764911.db2.gz WJLJONNCPYLWME-UHFFFAOYSA-N 0 0 228.361 3.616 20 0 BHADRN CCCCCSCc1cnc(C)s1 ZINC000117943694 384771321 /nfs/dbraw/zinc/77/13/21/384771321.db2.gz NFDUCBDSFKDEBC-UHFFFAOYSA-N 0 0 215.387 3.875 20 0 BHADRN CCCCCSCc1nnsc1Cl ZINC000117943928 344764953 /nfs/dbraw/zinc/76/49/53/344764953.db2.gz NNXMKOXFDPGXHX-UHFFFAOYSA-N 0 0 236.793 3.615 20 0 BHADRN CCCCCS[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000117943999 323903883 /nfs/dbraw/zinc/90/38/83/323903883.db2.gz UKJFNTUADXATHE-RYUDHWBXSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCS[C@H](C)C(=O)N[C@@H](C)CCC ZINC000117944000 323903813 /nfs/dbraw/zinc/90/38/13/323903813.db2.gz UKJFNTUADXATHE-NWDGAFQWSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCS[C@@H](C)C(=O)N[C@H](C)CCC ZINC000117944001 388094317 /nfs/dbraw/zinc/09/43/17/388094317.db2.gz UKJFNTUADXATHE-NEPJUHHUSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCS[C@H](C)C(=O)N[C@H](C)CCC ZINC000117944003 388094064 /nfs/dbraw/zinc/09/40/64/388094064.db2.gz UKJFNTUADXATHE-VXGBXAGGSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCSCC(=O)Nc1ccccc1 ZINC000117944155 344764750 /nfs/dbraw/zinc/76/47/50/344764750.db2.gz KNKQOGAIGHKYKE-UHFFFAOYSA-N 0 0 237.368 3.549 20 0 BHADRN CCCCCS[C@@H](C)C(=O)NC(CC)CC ZINC000117944210 370985949 /nfs/dbraw/zinc/98/59/49/370985949.db2.gz DVZWJXRXCNSPBL-NSHDSACASA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCS[C@H](C)C(=O)NC(CC)CC ZINC000117944212 370986014 /nfs/dbraw/zinc/98/60/14/370986014.db2.gz DVZWJXRXCNSPBL-LLVKDONJSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCS[C@@H](C)C(=O)NC(C)(C)CC ZINC000117944326 370985938 /nfs/dbraw/zinc/98/59/38/370985938.db2.gz SLQNOOSSZUJYPC-NSHDSACASA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCS[C@H](C)C(=O)NC(C)(C)CC ZINC000117944327 370985905 /nfs/dbraw/zinc/98/59/05/370985905.db2.gz SLQNOOSSZUJYPC-LLVKDONJSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCSCC(=O)N(C(C)C)C(C)C ZINC000117944356 386123990 /nfs/dbraw/zinc/12/39/90/386123990.db2.gz ZWPFUUIMNGKKLZ-UHFFFAOYSA-N 0 0 245.432 3.555 20 0 BHADRN CCCCCSCC(=O)c1cc(C)[nH]c1C ZINC000117944400 384769741 /nfs/dbraw/zinc/76/97/41/384769741.db2.gz KKXOJCFQDPITHE-UHFFFAOYSA-N 0 0 239.384 3.738 20 0 BHADRN CCCC(=O)Nc1cccc(NC2CCCC2)c1 ZINC000117977010 370987116 /nfs/dbraw/zinc/98/71/16/370987116.db2.gz WLXVNOJDUXPNIZ-UHFFFAOYSA-N 0 0 246.354 3.780 20 0 BHADRN CCCCc1ccc(-c2nc(CC)no2)cc1 ZINC000117999152 370988987 /nfs/dbraw/zinc/98/89/87/370988987.db2.gz GKDKTFOQYUKRTD-UHFFFAOYSA-N 0 0 230.311 3.642 20 0 BHADRN COCc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000118006899 487495531 /nfs/dbraw/zinc/49/55/31/487495531.db2.gz CZDKONMJGHDCKL-UHFFFAOYSA-N 0 0 247.363 3.882 20 0 BHADRN COCc1csc(-c2ccc(Cl)cc2)n1 ZINC000118010355 487495147 /nfs/dbraw/zinc/49/51/47/487495147.db2.gz RPNRYOOEHOJJBF-UHFFFAOYSA-N 0 0 239.727 3.610 20 0 BHADRN Cc1csc(-c2cccc(C)c2C)n1 ZINC000118012124 487495288 /nfs/dbraw/zinc/49/52/88/487495288.db2.gz GLZBVCQCMSHRQL-UHFFFAOYSA-N 0 0 203.310 3.735 20 0 BHADRN CCCOc1ccc(-c2nc(C)cs2)cc1 ZINC000118012608 411387949 /nfs/dbraw/zinc/38/79/49/411387949.db2.gz BLQMNHAJGQMHGW-UHFFFAOYSA-N 0 0 233.336 3.907 20 0 BHADRN Cc1nc(-c2cccc(F)c2)sc1C ZINC000118013144 370989585 /nfs/dbraw/zinc/98/95/85/370989585.db2.gz DAFHUESZPINNFW-UHFFFAOYSA-N 0 0 207.273 3.566 20 0 BHADRN Clc1cccc(CN2CCCC2)c1Cl ZINC000118046038 387038976 /nfs/dbraw/zinc/03/89/76/387038976.db2.gz OFRAAOZARGRLFX-UHFFFAOYSA-N 0 0 230.138 3.589 20 0 BHADRN O=C(OC1CCCC1)c1cccc2ccccc21 ZINC000118075206 589148712 /nfs/dbraw/zinc/14/87/12/589148712.db2.gz CIIQNWRPPMHPRL-UHFFFAOYSA-N 0 0 240.302 3.939 20 0 BHADRN C(=C/C1CCCCC1)\c1nc(C2CC2)no1 ZINC000118166200 166226260 /nfs/dbraw/zinc/22/62/60/166226260.db2.gz GOODAKNWTMBECI-RMKNXTFCSA-N 0 0 218.300 3.541 20 0 BHADRN CCCCOCC(=O)Nc1ccc(C(C)C)cc1 ZINC000118188318 370997753 /nfs/dbraw/zinc/99/77/53/370997753.db2.gz WLJKOCBMHIBZOA-UHFFFAOYSA-N 0 0 249.354 3.565 20 0 BHADRN CCCCOCC(=O)Nc1ccccc1C(C)C ZINC000118188544 168893562 /nfs/dbraw/zinc/89/35/62/168893562.db2.gz HEMWNKXVRGOFJC-UHFFFAOYSA-N 0 0 249.354 3.565 20 0 BHADRN CCCCOCC(=O)Nc1cccc(C(C)C)c1 ZINC000118193576 388094520 /nfs/dbraw/zinc/09/45/20/388094520.db2.gz SHURDGAHEHUSGW-UHFFFAOYSA-N 0 0 249.354 3.565 20 0 BHADRN CCc1csc(-c2ccc(F)cc2)n1 ZINC000118352624 323905134 /nfs/dbraw/zinc/90/51/34/323905134.db2.gz FXXVQVXPQOTUTP-UHFFFAOYSA-N 0 0 207.273 3.512 20 0 BHADRN COc1cccc(-c2ccc3cc[nH]c3c2)c1 ZINC000118524089 343047781 /nfs/dbraw/zinc/04/77/81/343047781.db2.gz BVRMSUDLAPPGJJ-UHFFFAOYSA-N 0 0 223.275 3.844 20 0 BHADRN CCCCCOC(=O)[C@@H](C)c1ccccc1 ZINC000118562406 589179250 /nfs/dbraw/zinc/17/92/50/589179250.db2.gz HDVFGKKFXKECPD-LBPRGKRZSA-N 0 0 220.312 3.524 20 0 BHADRN CCCCCOC(=O)[C@H](C)c1ccccc1 ZINC000118562407 589179221 /nfs/dbraw/zinc/17/92/21/589179221.db2.gz HDVFGKKFXKECPD-GFCCVEGCSA-N 0 0 220.312 3.524 20 0 BHADRN CC(C)(C)CCCC(=O)Oc1ccccc1 ZINC000118569435 589179569 /nfs/dbraw/zinc/17/95/69/589179569.db2.gz RMLMFWOFDIJURZ-UHFFFAOYSA-N 0 0 220.312 3.808 20 0 BHADRN CCC[C@H](C(=O)Oc1ccccc1)C(C)C ZINC000118569913 589179814 /nfs/dbraw/zinc/17/98/14/589179814.db2.gz TZCUPEUSTUBCFK-ZDUSSCGKSA-N 0 0 220.312 3.664 20 0 BHADRN CCC[C@@H](C(=O)Oc1ccccc1)C(C)C ZINC000118569915 589179699 /nfs/dbraw/zinc/17/96/99/589179699.db2.gz TZCUPEUSTUBCFK-CYBMUJFWSA-N 0 0 220.312 3.664 20 0 BHADRN CCC[C@@H](C(=O)OC(C)C)c1ccccc1 ZINC000118569918 371032102 /nfs/dbraw/zinc/03/21/02/371032102.db2.gz JPSQMCVFSQUKHT-CYBMUJFWSA-N 0 0 220.312 3.522 20 0 BHADRN CCC[C@H](C(=O)OC(C)C)c1ccccc1 ZINC000118569920 371032071 /nfs/dbraw/zinc/03/20/71/371032071.db2.gz JPSQMCVFSQUKHT-ZDUSSCGKSA-N 0 0 220.312 3.522 20 0 BHADRN CCC[C@H](C(=O)OCC(C)C)c1ccccc1 ZINC000118571656 710673446 /nfs/dbraw/zinc/67/34/46/710673446.db2.gz BFPDFZZWMNWGDP-AWEZNQCLSA-N 0 0 234.339 3.770 20 0 BHADRN c1ccc(CSC2=Nc3ccccc3C2)nc1 ZINC000118606463 589182321 /nfs/dbraw/zinc/18/23/21/589182321.db2.gz UDKAGPMPSXXVQD-UHFFFAOYSA-N 0 0 240.331 3.601 20 0 BHADRN CC(C)CSC1=Nc2ccccc2C1 ZINC000118606485 589182217 /nfs/dbraw/zinc/18/22/17/589182217.db2.gz RZCPXYDABOPNPQ-UHFFFAOYSA-N 0 0 205.326 3.662 20 0 BHADRN CC(C)(C)C(=O)CSC1=Nc2ccccc2C1 ZINC000118606616 384204739 /nfs/dbraw/zinc/20/47/39/384204739.db2.gz BRKLTGILHNNBOO-UHFFFAOYSA-N 0 0 247.363 3.621 20 0 BHADRN c1ccc2c(c1)CC(SCc1cccnc1)=N2 ZINC000118606760 589182341 /nfs/dbraw/zinc/18/23/41/589182341.db2.gz OIIOTZQUWLDSAL-UHFFFAOYSA-N 0 0 240.331 3.601 20 0 BHADRN c1ccc2c(c1)CC(SC1CCCC1)=N2 ZINC000118607125 589182381 /nfs/dbraw/zinc/18/23/81/589182381.db2.gz KJHLHVKUUGBTDW-UHFFFAOYSA-N 0 0 217.337 3.949 20 0 BHADRN Cc1cc(CSC2=Nc3ccccc3C2)no1 ZINC000118607203 589182172 /nfs/dbraw/zinc/18/21/72/589182172.db2.gz YRPQUQKJQRMNEO-UHFFFAOYSA-N 0 0 244.319 3.503 20 0 BHADRN CC1(C)CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000118607218 345678919 /nfs/dbraw/zinc/67/89/19/345678919.db2.gz MXKLMMHMBVKUKH-LBPRGKRZSA-N 0 0 231.339 3.842 20 0 BHADRN CC1(C)CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000118607220 345679310 /nfs/dbraw/zinc/67/93/10/345679310.db2.gz MXKLMMHMBVKUKH-GFCCVEGCSA-N 0 0 231.339 3.842 20 0 BHADRN CCCCSC1=Nc2ccccc2C1 ZINC000118607270 589182140 /nfs/dbraw/zinc/18/21/40/589182140.db2.gz IXOJVZQZRKUQJA-UHFFFAOYSA-N 0 0 205.326 3.806 20 0 BHADRN CCSCCOc1ccc(F)cc1Cl ZINC000118609313 388096097 /nfs/dbraw/zinc/09/60/97/388096097.db2.gz BLCOILDAMGNAIH-UHFFFAOYSA-N 0 0 234.723 3.611 20 0 BHADRN CCSCCSc1ccc(OC)cc1 ZINC000118610841 589182674 /nfs/dbraw/zinc/18/26/74/589182674.db2.gz WCWPAXLGQKEZDE-UHFFFAOYSA-N 0 0 228.382 3.540 20 0 BHADRN CCSCCSc1cccc(OC)c1 ZINC000118612086 589182877 /nfs/dbraw/zinc/18/28/77/589182877.db2.gz MOSKJRVJFNPUEV-UHFFFAOYSA-N 0 0 228.382 3.540 20 0 BHADRN Cc1ccccc1SCCc1cccnc1 ZINC000118612454 188248236 /nfs/dbraw/zinc/24/82/36/188248236.db2.gz AQLHUEQMVFUPKW-UHFFFAOYSA-N 0 0 229.348 3.725 20 0 BHADRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCCCC1 ZINC000118622265 388096106 /nfs/dbraw/zinc/09/61/06/388096106.db2.gz PJRVBLUYTQWJRS-SNPRPXQTSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CCCCC1 ZINC000118622269 323906046 /nfs/dbraw/zinc/90/60/46/323906046.db2.gz PJRVBLUYTQWJRS-YUELXQCFSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC(C)(C)C ZINC000118623235 371044176 /nfs/dbraw/zinc/04/41/76/371044176.db2.gz UFQPMMQNVXYHOB-AGIUHOORSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CC(C)(C)C ZINC000118623239 371044131 /nfs/dbraw/zinc/04/41/31/371044131.db2.gz UFQPMMQNVXYHOB-UPJWGTAASA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H]1C=CCC1 ZINC000118623340 388096313 /nfs/dbraw/zinc/09/63/13/388096313.db2.gz COOWHFHSMSRROW-QPSCCSFWSA-N 0 0 247.382 3.522 20 0 BHADRN Cc1ccc(CCC(=O)Nc2ccsc2)cc1 ZINC000118627515 187982116 /nfs/dbraw/zinc/98/21/16/187982116.db2.gz GRSKEJPVIUXSFO-UHFFFAOYSA-N 0 0 245.347 3.628 20 0 BHADRN O=C(CCCc1ccccc1)Nc1ccsc1 ZINC000118627563 387062559 /nfs/dbraw/zinc/06/25/59/387062559.db2.gz KXYXRHJVINCFAO-UHFFFAOYSA-N 0 0 245.347 3.710 20 0 BHADRN Cc1cc(C(=O)Nc2ccsc2)c(C)s1 ZINC000118627640 371044813 /nfs/dbraw/zinc/04/48/13/371044813.db2.gz GTPOVYAFANKAFJ-UHFFFAOYSA-N 0 0 237.349 3.679 20 0 BHADRN Cc1ccc(C(=O)Nc2ccsc2)c(C)c1 ZINC000118627695 178438189 /nfs/dbraw/zinc/43/81/89/178438189.db2.gz IKPBKDRODPWXCB-UHFFFAOYSA-N 0 0 231.320 3.617 20 0 BHADRN CCc1ccc(C(=O)Nc2ccsc2)cc1 ZINC000118627899 387063405 /nfs/dbraw/zinc/06/34/05/387063405.db2.gz UXSNZKHRTTUSGZ-UHFFFAOYSA-N 0 0 231.320 3.563 20 0 BHADRN O=C(Nc1ccsc1)c1ccccc1Cl ZINC000118628212 182391641 /nfs/dbraw/zinc/39/16/41/182391641.db2.gz KTAAHWYJXGWFNW-UHFFFAOYSA-N 0 0 237.711 3.654 20 0 BHADRN CC(C)(C(=O)Nc1ccsc1)c1ccccc1 ZINC000118628256 387063985 /nfs/dbraw/zinc/06/39/85/387063985.db2.gz ONVXDYQKAGNXEH-UHFFFAOYSA-N 0 0 245.347 3.664 20 0 BHADRN Cc1cccc(CCC(=O)Nc2ccsc2)c1 ZINC000118628401 371044499 /nfs/dbraw/zinc/04/44/99/371044499.db2.gz VUJLGPLHFWSDMU-UHFFFAOYSA-N 0 0 245.347 3.628 20 0 BHADRN Cc1cc(C)cc(C(=O)Nc2ccsc2)c1 ZINC000118628574 386820886 /nfs/dbraw/zinc/82/08/86/386820886.db2.gz ULKORBRTFAMRMA-UHFFFAOYSA-N 0 0 231.320 3.617 20 0 BHADRN O=C(/C=C/c1cccc(F)c1)Nc1ccsc1 ZINC000118628601 589183008 /nfs/dbraw/zinc/18/30/08/589183008.db2.gz PSXCJAVJDYBVFV-SNAWJCMRSA-N 0 0 247.294 3.539 20 0 BHADRN Cc1ccc(C(=O)Nc2ccsc2)cc1C ZINC000118628607 178437470 /nfs/dbraw/zinc/43/74/70/178437470.db2.gz GAIXJLQFLLBBBJ-UHFFFAOYSA-N 0 0 231.320 3.617 20 0 BHADRN O=C(Nc1ccsc1)c1ccc(Cl)cc1 ZINC000118628816 182391154 /nfs/dbraw/zinc/39/11/54/182391154.db2.gz CWFIIRVIIUVZBJ-UHFFFAOYSA-N 0 0 237.711 3.654 20 0 BHADRN O=C(CCC1CCCC1)Nc1ccsc1 ZINC000118628826 387063200 /nfs/dbraw/zinc/06/32/00/387063200.db2.gz ZOXKFADRYVAYIR-UHFFFAOYSA-N 0 0 223.341 3.657 20 0 BHADRN O=C(Nc1ccsc1)c1cc2ccccc2o1 ZINC000118628866 182390969 /nfs/dbraw/zinc/39/09/69/182390969.db2.gz YSAFCXZMYWWZCO-UHFFFAOYSA-N 0 0 243.287 3.747 20 0 BHADRN CC/C=C(/C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000118664021 589187516 /nfs/dbraw/zinc/18/75/16/589187516.db2.gz GUJJWFSNEMXLBO-HGXGUZKJSA-N 0 0 235.371 3.522 20 0 BHADRN O=C(CC1CCCCC1)Nc1ccsc1 ZINC000118677890 387066365 /nfs/dbraw/zinc/06/63/65/387066365.db2.gz PYKYUASEXXPLGF-UHFFFAOYSA-N 0 0 223.341 3.657 20 0 BHADRN Cc1ccc(C)c(CC(=O)Nc2ccsc2)c1 ZINC000118677985 188428748 /nfs/dbraw/zinc/42/87/48/188428748.db2.gz FIQPZGGCGNVXJU-UHFFFAOYSA-N 0 0 245.347 3.546 20 0 BHADRN Cc1ccccc1CCC(=O)Nc1ccsc1 ZINC000118678408 179261586 /nfs/dbraw/zinc/26/15/86/179261586.db2.gz VAXPZOJUNAZHCN-UHFFFAOYSA-N 0 0 245.347 3.628 20 0 BHADRN CCc1ccsc1C(=O)Nc1ccsc1 ZINC000118678471 356994426 /nfs/dbraw/zinc/99/44/26/356994426.db2.gz DIKMFVKTMDKCJB-UHFFFAOYSA-N 0 0 237.349 3.624 20 0 BHADRN Cc1cccc(C(=O)Nc2ccsc2)c1C ZINC000118678630 187807445 /nfs/dbraw/zinc/80/74/45/187807445.db2.gz KUFALSGQNLADGQ-UHFFFAOYSA-N 0 0 231.320 3.617 20 0 BHADRN CCc1ccc(C(=O)Nc2ccsc2)s1 ZINC000118679011 589189437 /nfs/dbraw/zinc/18/94/37/589189437.db2.gz LNCPTEPBLSQZOA-UHFFFAOYSA-N 0 0 237.349 3.624 20 0 BHADRN C[C@@H](CC(=O)Nc1ccsc1)c1ccccc1 ZINC000118679262 384599933 /nfs/dbraw/zinc/59/99/33/384599933.db2.gz SJIGPIJCLWATIE-NSHDSACASA-N 0 0 245.347 3.880 20 0 BHADRN C[C@H](CC(=O)Nc1ccsc1)c1ccccc1 ZINC000118679264 384601289 /nfs/dbraw/zinc/60/12/89/384601289.db2.gz SJIGPIJCLWATIE-LLVKDONJSA-N 0 0 245.347 3.880 20 0 BHADRN CCCCS[C@@H](C)C(=O)Nc1ccsc1 ZINC000118679407 344814774 /nfs/dbraw/zinc/81/47/74/344814774.db2.gz IZRAQRDBBZEYHS-VIFPVBQESA-N 0 0 243.397 3.608 20 0 BHADRN CCCCS[C@H](C)C(=O)Nc1ccsc1 ZINC000118679409 168933137 /nfs/dbraw/zinc/93/31/37/168933137.db2.gz IZRAQRDBBZEYHS-SECBINFHSA-N 0 0 243.397 3.608 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccsc1 ZINC000118679447 169357530 /nfs/dbraw/zinc/35/75/30/169357530.db2.gz WLVJONYEWLZCGM-SECBINFHSA-N 0 0 211.330 3.513 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccsc1 ZINC000118679449 387064526 /nfs/dbraw/zinc/06/45/26/387064526.db2.gz WLVJONYEWLZCGM-VIFPVBQESA-N 0 0 211.330 3.513 20 0 BHADRN CCCCCC(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000118702520 385245438 /nfs/dbraw/zinc/24/54/38/385245438.db2.gz SEYBKYSHVSIMSF-UHFFFAOYSA-N 0 0 249.358 3.586 20 0 BHADRN c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000118861198 359873118 /nfs/dbraw/zinc/87/31/18/359873118.db2.gz ISDFTCHEGRGWKX-UHFFFAOYSA-N 0 0 247.301 3.887 20 0 BHADRN CCCCOc1cccc(C(F)(F)F)c1 ZINC000118879267 343516025 /nfs/dbraw/zinc/51/60/25/343516025.db2.gz YMQZCIZZQXIVCX-UHFFFAOYSA-N 0 0 218.218 3.884 20 0 BHADRN CC(C)c1cccc(NC(=O)Cc2ccoc2)c1 ZINC000118945109 167631146 /nfs/dbraw/zinc/63/11/46/167631146.db2.gz DRPPGIQZVRMFFS-UHFFFAOYSA-N 0 0 243.306 3.584 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1 ZINC000118965615 589224637 /nfs/dbraw/zinc/22/46/37/589224637.db2.gz YSUBGKMVMWSTKO-KGLIPLIRSA-N 0 0 247.382 3.875 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H](C)c1ccccc1 ZINC000118965729 589224604 /nfs/dbraw/zinc/22/46/04/589224604.db2.gz YSUBGKMVMWSTKO-KBPBESRZSA-N 0 0 247.382 3.875 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H](C)c1ccccc1 ZINC000118965804 589224401 /nfs/dbraw/zinc/22/44/01/589224401.db2.gz YSUBGKMVMWSTKO-ZIAGYGMSSA-N 0 0 247.382 3.875 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H](C)c1ccccc1 ZINC000118965889 589224550 /nfs/dbraw/zinc/22/45/50/589224550.db2.gz YSUBGKMVMWSTKO-UONOGXRCSA-N 0 0 247.382 3.875 20 0 BHADRN CC(=O)[C@@H](C)CSc1cccc(Cl)c1 ZINC000118974749 323909570 /nfs/dbraw/zinc/90/95/70/323909570.db2.gz KAWGPURCHNOWCK-QMMMGPOBSA-N 0 0 228.744 3.657 20 0 BHADRN CC(=O)[C@H](C)CSc1cccc(Cl)c1 ZINC000118974814 388100952 /nfs/dbraw/zinc/10/09/52/388100952.db2.gz KAWGPURCHNOWCK-MRVPVSSYSA-N 0 0 228.744 3.657 20 0 BHADRN COCCCCSc1cccc(Cl)c1 ZINC000118975159 388100770 /nfs/dbraw/zinc/10/07/70/388100770.db2.gz CHUHURQOZOISPT-UHFFFAOYSA-N 0 0 230.760 3.859 20 0 BHADRN COc1ccc(NCc2cc(C)oc2C)cc1F ZINC000118982181 589226282 /nfs/dbraw/zinc/22/62/82/589226282.db2.gz YFKKSMAAGGXXOA-UHFFFAOYSA-N 0 0 249.285 3.656 20 0 BHADRN CCOc1cccc(NCc2cc(C)oc2C)c1 ZINC000118984574 589226515 /nfs/dbraw/zinc/22/65/15/589226515.db2.gz SYIBWCKNKFPHAT-UHFFFAOYSA-N 0 0 245.322 3.907 20 0 BHADRN Cc1ccc([C@H](C)OC(=O)C2CC=CC2)cc1 ZINC000118987137 589226394 /nfs/dbraw/zinc/22/63/94/589226394.db2.gz ZLCMELWJSREEBA-LBPRGKRZSA-N 0 0 230.307 3.565 20 0 BHADRN COCCCCSCCCc1ccccc1 ZINC000119020753 323908458 /nfs/dbraw/zinc/90/84/58/323908458.db2.gz LIIGMJOHFYLHGI-UHFFFAOYSA-N 0 0 238.396 3.779 20 0 BHADRN C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)C1CCCC1 ZINC000119022486 388100046 /nfs/dbraw/zinc/10/00/46/388100046.db2.gz LHQGAGRVDRUBQW-YPMHNXCESA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C1CCCC1 ZINC000119022580 323908405 /nfs/dbraw/zinc/90/84/05/323908405.db2.gz LHQGAGRVDRUBQW-AAEUAGOBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)C1CCCC1 ZINC000119022716 323908888 /nfs/dbraw/zinc/90/88/88/323908888.db2.gz LHQGAGRVDRUBQW-DGCLKSJQSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@H]1NC(=O)C(C)(C)C1CCCC1 ZINC000119022838 323908715 /nfs/dbraw/zinc/90/87/15/323908715.db2.gz LHQGAGRVDRUBQW-WCQYABFASA-N 0 0 237.387 3.508 20 0 BHADRN Cc1nc(CN(c2ccccc2)C(C)C)cs1 ZINC000119027844 179950050 /nfs/dbraw/zinc/95/00/50/179950050.db2.gz ZJRFJXRDIMWECQ-UHFFFAOYSA-N 0 0 246.379 3.867 20 0 BHADRN CCCC[C@@H](CC)C(=O)NCC1(C2CC2)CC1 ZINC000119033805 323908733 /nfs/dbraw/zinc/90/87/33/323908733.db2.gz JLEBFNVIVRPTBY-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](CC)C(=O)NCC1(C2CC2)CC1 ZINC000119033949 323909738 /nfs/dbraw/zinc/90/97/38/323909738.db2.gz JLEBFNVIVRPTBY-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN COCc1cccc(NCc2cc(C)oc2C)c1 ZINC000119036372 589231846 /nfs/dbraw/zinc/23/18/46/589231846.db2.gz VLCSSDPXPRDANS-UHFFFAOYSA-N 0 0 245.322 3.655 20 0 BHADRN C[C@H](C(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000119041398 384226939 /nfs/dbraw/zinc/22/69/39/384226939.db2.gz RIASIKLLTNZNHG-ZDUSSCGKSA-N 0 0 245.366 3.581 20 0 BHADRN C[C@@H](C(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000119041486 384228634 /nfs/dbraw/zinc/22/86/34/384228634.db2.gz RIASIKLLTNZNHG-CYBMUJFWSA-N 0 0 245.366 3.581 20 0 BHADRN Cc1cccc([C@H](C)[N@H+](C)Cc2cccnc2)c1 ZINC000119042928 179193122 /nfs/dbraw/zinc/19/31/22/179193122.db2.gz KPIFBTSSDABEHS-AWEZNQCLSA-N 0 0 240.350 3.583 20 0 BHADRN COCCCCS[C@@H](C)c1cccs1 ZINC000119048099 589236673 /nfs/dbraw/zinc/23/66/73/589236673.db2.gz ABZBCOXVGFCXHN-JTQLQIEISA-N 0 0 230.398 3.969 20 0 BHADRN COCCCCS[C@H](C)c1cccs1 ZINC000119048179 589236749 /nfs/dbraw/zinc/23/67/49/589236749.db2.gz ABZBCOXVGFCXHN-SNVBAGLBSA-N 0 0 230.398 3.969 20 0 BHADRN CC[C@@H](CC(=O)Nc1ccc(C)nc1C)C(C)C ZINC000119048788 388101566 /nfs/dbraw/zinc/10/15/66/388101566.db2.gz WKMLRXZXQZHUQF-ZDUSSCGKSA-N 0 0 248.370 3.709 20 0 BHADRN CC[C@H](CC(=O)Nc1ccc(C)nc1C)C(C)C ZINC000119048909 388101686 /nfs/dbraw/zinc/10/16/86/388101686.db2.gz WKMLRXZXQZHUQF-CYBMUJFWSA-N 0 0 248.370 3.709 20 0 BHADRN CC[C@@H](C)CSc1nnc(C2CC2)s1 ZINC000119081733 387094901 /nfs/dbraw/zinc/09/49/01/387094901.db2.gz LCTOPCCXGPEDLE-SSDOTTSWSA-N 0 0 228.386 3.554 20 0 BHADRN CC[C@H](C)CSc1nnc(C2CC2)s1 ZINC000119081835 171293262 /nfs/dbraw/zinc/29/32/62/171293262.db2.gz LCTOPCCXGPEDLE-ZETCQYMHSA-N 0 0 228.386 3.554 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H](C)C(C)(C)C)c(C)n1 ZINC000119086784 388103872 /nfs/dbraw/zinc/10/38/72/388103872.db2.gz ARSMITVRQVBYCI-SNVBAGLBSA-N 0 0 248.370 3.709 20 0 BHADRN Cc1ccc(NC(=O)C[C@H](C)C(C)(C)C)c(C)n1 ZINC000119086901 388103293 /nfs/dbraw/zinc/10/32/93/388103293.db2.gz ARSMITVRQVBYCI-JTQLQIEISA-N 0 0 248.370 3.709 20 0 BHADRN Cc1ccccc1N(Cc1ccccn1)C(C)C ZINC000119094194 179296717 /nfs/dbraw/zinc/29/67/17/179296717.db2.gz YPHXWZAKQAONKS-UHFFFAOYSA-N 0 0 240.350 3.805 20 0 BHADRN O=C(CCCC1CCCC1)NCC1(C2CC2)CC1 ZINC000119105029 388104333 /nfs/dbraw/zinc/10/43/33/388104333.db2.gz CYEHZYIBCGGLCW-UHFFFAOYSA-N 0 0 249.398 3.653 20 0 BHADRN CCC(CC)CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000119106516 388104642 /nfs/dbraw/zinc/10/46/42/388104642.db2.gz PDKYOOWYXSQHJN-UHFFFAOYSA-N 0 0 244.338 3.933 20 0 BHADRN CCC(=CC(=O)Nc1ccc2[nH]ccc2c1)CC ZINC000119107166 168195996 /nfs/dbraw/zinc/19/59/96/168195996.db2.gz UMWGKNQSKAUCTJ-UHFFFAOYSA-N 0 0 242.322 3.853 20 0 BHADRN CCC(CC)CC(=O)Nc1ccc(N(C)C)cc1 ZINC000119116252 589242495 /nfs/dbraw/zinc/24/24/95/589242495.db2.gz MMZJBOPXWMBKSW-UHFFFAOYSA-N 0 0 248.370 3.517 20 0 BHADRN CC(C)(C)CCC(=O)Nc1ccsc1 ZINC000119129414 384238293 /nfs/dbraw/zinc/23/82/93/384238293.db2.gz BQSHDADTKXMEFT-UHFFFAOYSA-N 0 0 211.330 3.513 20 0 BHADRN C[C@H](C(=O)Nc1ccsc1)c1cccs1 ZINC000119132224 387101064 /nfs/dbraw/zinc/10/10/64/387101064.db2.gz RZWYBXTWJURILJ-QMMMGPOBSA-N 0 0 237.349 3.552 20 0 BHADRN C[C@@H](C(=O)Nc1ccsc1)c1cccs1 ZINC000119132341 387100903 /nfs/dbraw/zinc/10/09/03/387100903.db2.gz RZWYBXTWJURILJ-MRVPVSSYSA-N 0 0 237.349 3.552 20 0 BHADRN C[C@H](C(=O)Nc1ccsc1)c1ccsc1 ZINC000119132621 387101200 /nfs/dbraw/zinc/10/12/00/387101200.db2.gz MHVHXOCDIPNYDR-QMMMGPOBSA-N 0 0 237.349 3.552 20 0 BHADRN C[C@@H](C(=O)Nc1ccsc1)c1ccsc1 ZINC000119132775 387100209 /nfs/dbraw/zinc/10/02/09/387100209.db2.gz MHVHXOCDIPNYDR-MRVPVSSYSA-N 0 0 237.349 3.552 20 0 BHADRN CC(C)CCCOC(=O)C[C@@H](C)c1ccncc1 ZINC000119135792 589245488 /nfs/dbraw/zinc/24/54/88/589245488.db2.gz FVLMAIILQUCGLO-CYBMUJFWSA-N 0 0 249.354 3.555 20 0 BHADRN CC(C)CCCOC(=O)C[C@H](C)c1ccncc1 ZINC000119135891 589245695 /nfs/dbraw/zinc/24/56/95/589245695.db2.gz FVLMAIILQUCGLO-ZDUSSCGKSA-N 0 0 249.354 3.555 20 0 BHADRN Cc1ccc(-c2noc(C3=CCCC3)n2)cc1F ZINC000119135899 178341943 /nfs/dbraw/zinc/34/19/43/178341943.db2.gz LLWIKTMYEIDAJW-UHFFFAOYSA-N 0 0 244.269 3.751 20 0 BHADRN C1=C(c2nc(C3CCCCC3)no2)CCC1 ZINC000119151993 387101887 /nfs/dbraw/zinc/10/18/87/387101887.db2.gz COWJUYFFOVHHRG-UHFFFAOYSA-N 0 0 218.300 3.685 20 0 BHADRN Cc1ccc(NC(=O)CCC2CCCC2)c(C)n1 ZINC000119167838 384241703 /nfs/dbraw/zinc/24/17/03/384241703.db2.gz ZEBMHXNMOZBNCJ-UHFFFAOYSA-N 0 0 246.354 3.607 20 0 BHADRN C/C(=C/C(=O)Nc1ccc(C)nc1C)C(C)(C)C ZINC000119170185 589246971 /nfs/dbraw/zinc/24/69/71/589246971.db2.gz RWIJATBMKRKGLR-KTKRTIGZSA-N 0 0 246.354 3.629 20 0 BHADRN Fc1ccc(-c2noc(C3=CCCC3)n2)cc1F ZINC000119175773 387105364 /nfs/dbraw/zinc/10/53/64/387105364.db2.gz PRJUPGHZLBRUSN-UHFFFAOYSA-N 0 0 248.232 3.582 20 0 BHADRN CCCC[C@@H](CC)CC(=O)Nc1ccccc1N ZINC000119177091 348210542 /nfs/dbraw/zinc/21/05/42/348210542.db2.gz DIZZIXGUSPBMEL-GFCCVEGCSA-N 0 0 248.370 3.814 20 0 BHADRN CCCC[C@H](CC)CC(=O)Nc1ccccc1N ZINC000119177196 348210355 /nfs/dbraw/zinc/21/03/55/348210355.db2.gz DIZZIXGUSPBMEL-LBPRGKRZSA-N 0 0 248.370 3.814 20 0 BHADRN CCSCc1cccc(NC(=O)C2(C)CC2)c1 ZINC000119179945 387103913 /nfs/dbraw/zinc/10/39/13/387103913.db2.gz ZNDRWLYDTRRXEO-UHFFFAOYSA-N 0 0 249.379 3.678 20 0 BHADRN CCCC[C@@H](CC)C(=O)Nc1ccc(C)nc1C ZINC000119183649 388106567 /nfs/dbraw/zinc/10/65/67/388106567.db2.gz GHBJZKICCXGZOW-CYBMUJFWSA-N 0 0 248.370 3.853 20 0 BHADRN CCCC[C@H](CC)C(=O)Nc1ccc(C)nc1C ZINC000119183770 388106515 /nfs/dbraw/zinc/10/65/15/388106515.db2.gz GHBJZKICCXGZOW-ZDUSSCGKSA-N 0 0 248.370 3.853 20 0 BHADRN Cc1cc(-c2noc(C3=CCCC3)n2)ccc1F ZINC000119189992 387103984 /nfs/dbraw/zinc/10/39/84/387103984.db2.gz VXELLDUTZLBLKH-UHFFFAOYSA-N 0 0 244.269 3.751 20 0 BHADRN Cc1ccncc1NC(=O)C1(CC(C)C)CCC1 ZINC000119191057 384026475 /nfs/dbraw/zinc/02/64/75/384026475.db2.gz CUUHIAKWWRUABG-UHFFFAOYSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1ccccc1NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000119214085 188328348 /nfs/dbraw/zinc/32/83/48/188328348.db2.gz DKXWUDIKICEEHT-AAEUAGOBSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccccc1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000119214223 187294468 /nfs/dbraw/zinc/29/44/68/187294468.db2.gz DKXWUDIKICEEHT-YPMHNXCESA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccccc1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000119214364 384246531 /nfs/dbraw/zinc/24/65/31/384246531.db2.gz DKXWUDIKICEEHT-WCQYABFASA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccccc1NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000119214481 384248353 /nfs/dbraw/zinc/24/83/53/384248353.db2.gz DKXWUDIKICEEHT-DGCLKSJQSA-N 0 0 246.354 3.647 20 0 BHADRN C[C@H](C(=O)N1CCCCCCC1)c1ccccc1 ZINC000119217155 589250776 /nfs/dbraw/zinc/25/07/76/589250776.db2.gz JDUWFXNPYZMDAM-AWEZNQCLSA-N 0 0 245.366 3.583 20 0 BHADRN C[C@@H](C(=O)N1CCCCCCC1)c1ccccc1 ZINC000119217299 589250733 /nfs/dbraw/zinc/25/07/33/589250733.db2.gz JDUWFXNPYZMDAM-CQSZACIVSA-N 0 0 245.366 3.583 20 0 BHADRN CC1(C)C[C@@H]1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000119224515 388112108 /nfs/dbraw/zinc/11/21/08/388112108.db2.gz VKJDXTIGERNOBS-ZIAGYGMSSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)C[C@@H]1C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000119224663 323918404 /nfs/dbraw/zinc/91/84/04/323918404.db2.gz VKJDXTIGERNOBS-KGLIPLIRSA-N 0 0 249.398 3.604 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H](C)CC(C)C)c(C)n1 ZINC000119227406 323918159 /nfs/dbraw/zinc/91/81/59/323918159.db2.gz DGZBZTUJSCSCOD-NSHDSACASA-N 0 0 248.370 3.709 20 0 BHADRN Cc1ccc(NC(=O)C[C@H](C)CC(C)C)c(C)n1 ZINC000119227470 323918380 /nfs/dbraw/zinc/91/83/80/323918380.db2.gz DGZBZTUJSCSCOD-LLVKDONJSA-N 0 0 248.370 3.709 20 0 BHADRN Cc1ccc(NC(=O)CCCC(C)(C)C)c(C)n1 ZINC000119228749 323918442 /nfs/dbraw/zinc/91/84/42/323918442.db2.gz SJGOYVQWHRCVLF-UHFFFAOYSA-N 0 0 248.370 3.853 20 0 BHADRN Cc1ccc(NCc2cc(F)cc(F)c2)c(C)n1 ZINC000119235502 387112399 /nfs/dbraw/zinc/11/23/99/387112399.db2.gz IBSITLNEJAMIRJ-UHFFFAOYSA-N 0 0 248.276 3.589 20 0 BHADRN CCCCCCC(=O)Nc1ccc(C)nc1C ZINC000119249072 589254112 /nfs/dbraw/zinc/25/41/12/589254112.db2.gz UPUCNRRJJBIEBU-UHFFFAOYSA-N 0 0 234.343 3.607 20 0 BHADRN CC(C)(C)Oc1ccc(NC(=O)C2(C)CC2)cc1 ZINC000119249588 387112246 /nfs/dbraw/zinc/11/22/46/387112246.db2.gz WSWMCTWPEHDBAE-UHFFFAOYSA-N 0 0 247.338 3.603 20 0 BHADRN CCCCN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC000119249665 387112214 /nfs/dbraw/zinc/11/22/14/387112214.db2.gz VWFCNHSGHCDOEM-UHFFFAOYSA-N 0 0 239.746 3.521 20 0 BHADRN CCCCOCCSC1=Nc2ccccc2C1 ZINC000119253973 589254413 /nfs/dbraw/zinc/25/44/13/589254413.db2.gz QJEXBFWHZMYQDX-UHFFFAOYSA-N 0 0 249.379 3.823 20 0 BHADRN CC(C)CC1(C(=O)N[C@H]2CCC[C@H]2C)CCC1 ZINC000119258993 398192763 /nfs/dbraw/zinc/19/27/63/398192763.db2.gz OYJRGOSOILLTJQ-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](C)C(=O)Oc1cccc(C(F)(F)F)c1 ZINC000119259001 589254622 /nfs/dbraw/zinc/25/46/22/589254622.db2.gz QQSVRIYSZQYNAZ-MRVPVSSYSA-N 0 0 246.228 3.657 20 0 BHADRN CC(C)CC1(C(=O)N[C@H]2CCC[C@@H]2C)CCC1 ZINC000119259111 398192738 /nfs/dbraw/zinc/19/27/38/398192738.db2.gz OYJRGOSOILLTJQ-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)C(=O)Oc1cccc(C(F)(F)F)c1 ZINC000119259120 589255134 /nfs/dbraw/zinc/25/51/34/589255134.db2.gz QQSVRIYSZQYNAZ-QMMMGPOBSA-N 0 0 246.228 3.657 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2CCC[C@H]2C)CCC1 ZINC000119259220 323916510 /nfs/dbraw/zinc/91/65/10/323916510.db2.gz OYJRGOSOILLTJQ-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C)CCC1 ZINC000119259331 398193142 /nfs/dbraw/zinc/19/31/42/398193142.db2.gz OYJRGOSOILLTJQ-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1ccc(C)c(CSc2ccncc2)c1 ZINC000119260933 323916259 /nfs/dbraw/zinc/91/62/59/323916259.db2.gz IZILIELLYDTCJH-UHFFFAOYSA-N 0 0 229.348 3.991 20 0 BHADRN Cc1cc(C)cc(CSc2ccncc2)c1 ZINC000119261408 323916108 /nfs/dbraw/zinc/91/61/08/323916108.db2.gz MPNVSFHDRIOUKR-UHFFFAOYSA-N 0 0 229.348 3.991 20 0 BHADRN CCCc1ccccc1NC(=O)C=C1CCC1 ZINC000119269058 384254799 /nfs/dbraw/zinc/25/47/99/384254799.db2.gz BXUPVEJSURVVOD-UHFFFAOYSA-N 0 0 229.323 3.688 20 0 BHADRN CC(C)(C)OCCSC1=Nc2ccccc2C1 ZINC000119270821 384253320 /nfs/dbraw/zinc/25/33/20/384253320.db2.gz ZYXNMQKWWRAWED-UHFFFAOYSA-N 0 0 249.379 3.821 20 0 BHADRN COc1ccc(CSc2ccncc2)cc1F ZINC000119272050 175114976 /nfs/dbraw/zinc/11/49/76/175114976.db2.gz PWJVLBRJCUFRCI-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN c1ccc(CCCSc2ccncc2)cc1 ZINC000119272368 398192717 /nfs/dbraw/zinc/19/27/17/398192717.db2.gz UZZCODPYVOBUCX-UHFFFAOYSA-N 0 0 229.348 3.807 20 0 BHADRN C(=C/c1ccccc1)\CSc1ccncc1 ZINC000119274591 323916303 /nfs/dbraw/zinc/91/63/03/323916303.db2.gz CSWSNUIRJFMKJS-QPJJXVBHSA-N 0 0 227.332 3.887 20 0 BHADRN FC(F)(F)CSC1=Nc2ccccc2C1 ZINC000119274891 384254543 /nfs/dbraw/zinc/25/45/43/384254543.db2.gz VXZDMXFUUFZLQU-UHFFFAOYSA-N 0 0 231.242 3.568 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Cc1cccc([C@H](C)C(=O)N[C@@H](C)CC(C)C)c1 ZINC000122238627 324034811 /nfs/dbraw/zinc/03/48/11/324034811.db2.gz CNNBGPMSSVPKFW-KBPBESRZSA-N 0 0 247.382 3.649 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)N[C@H](C)CC(C)C)c1 ZINC000122238823 324035021 /nfs/dbraw/zinc/03/50/21/324035021.db2.gz CNNBGPMSSVPKFW-ZIAGYGMSSA-N 0 0 247.382 3.649 20 0 BHADRN Cc1cccc([C@H](C)C(=O)N[C@H](C)CC(C)C)c1 ZINC000122239038 324035161 /nfs/dbraw/zinc/03/51/61/324035161.db2.gz CNNBGPMSSVPKFW-KGLIPLIRSA-N 0 0 247.382 3.649 20 0 BHADRN CCc1noc(C)c1COc1ccc(CC)cc1 ZINC000122239927 324034917 /nfs/dbraw/zinc/03/49/17/324034917.db2.gz MQARBYWHUAIAHL-UHFFFAOYSA-N 0 0 245.322 3.687 20 0 BHADRN CC(C)[C@H](c1nc(C2CC2)no1)c1ccccc1 ZINC000122249308 387500444 /nfs/dbraw/zinc/50/04/44/387500444.db2.gz UXFDMOZCICSNFY-ZDUSSCGKSA-N 0 0 242.322 3.735 20 0 BHADRN CC(C)[C@@H](c1nc(C2CC2)no1)c1ccccc1 ZINC000122249527 188076392 /nfs/dbraw/zinc/07/63/92/188076392.db2.gz UXFDMOZCICSNFY-CYBMUJFWSA-N 0 0 242.322 3.735 20 0 BHADRN 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169142982 /nfs/dbraw/zinc/14/29/82/169142982.db2.gz NTLZCYFUENSWOG-UHFFFAOYSA-N 0 0 240.372 3.710 20 0 BHADRN Cc1cccc(NCc2nccn2C(C)C)c1C ZINC000123597704 179151949 /nfs/dbraw/zinc/15/19/49/179151949.db2.gz WZLUOTVOYVUOLQ-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN Cc1ccc(NCc2nccn2C(C)C)c(C)c1 ZINC000123598832 384570003 /nfs/dbraw/zinc/57/00/03/384570003.db2.gz QDCXLVUCCAOJOP-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN CC(C)n1ccnc1CNc1ccccc1Cl ZINC000123599857 384571035 /nfs/dbraw/zinc/57/10/35/384571035.db2.gz DSKUCAFUFXNSRH-UHFFFAOYSA-N 0 0 249.745 3.730 20 0 BHADRN CC(C)n1ccnc1CNc1cccc(Cl)c1 ZINC000123601742 384570566 /nfs/dbraw/zinc/57/05/66/384570566.db2.gz XHGQSRUKCZMQCH-UHFFFAOYSA-N 0 0 249.745 3.730 20 0 BHADRN CC[C@@H](C)c1ccc(OCc2ccon2)cc1 ZINC000123603417 411160172 /nfs/dbraw/zinc/16/01/72/411160172.db2.gz ZGMNZSUVYGLMDK-LLVKDONJSA-N 0 0 231.295 3.767 20 0 BHADRN CC[C@H](C)c1ccc(OCc2ccon2)cc1 ZINC000123603648 411160009 /nfs/dbraw/zinc/16/00/09/411160009.db2.gz 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MUTYCDUINBLMTH-CHWSQXEVSA-N 0 0 237.387 3.746 20 0 BHADRN CCCCCCSCc1nc(C2CC2)no1 ZINC000127420103 590655013 /nfs/dbraw/zinc/65/50/13/590655013.db2.gz VWWNWLYQUMIRKB-UHFFFAOYSA-N 0 0 240.372 3.761 20 0 BHADRN Cc1ccc([C@@H](C)CNC(=O)CC(C)(C)C)cc1 ZINC000127424508 344365636 /nfs/dbraw/zinc/36/56/36/344365636.db2.gz AFORDZVYSHKDOJ-ZDUSSCGKSA-N 0 0 247.382 3.651 20 0 BHADRN Cc1ccc([C@H](C)CNC(=O)CC(C)(C)C)cc1 ZINC000127424747 344366397 /nfs/dbraw/zinc/36/63/97/344366397.db2.gz AFORDZVYSHKDOJ-CYBMUJFWSA-N 0 0 247.382 3.651 20 0 BHADRN CCCC1(CNC(=O)C(C2CC2)C2CC2)CCC1 ZINC000127427531 323005226 /nfs/dbraw/zinc/00/52/26/323005226.db2.gz RUQWJHOQVUSOFT-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CC(=O)N2CCC3(CCC3)C2)CCCCC1 ZINC000127429474 168015316 /nfs/dbraw/zinc/01/53/16/168015316.db2.gz QGRVOZCPQWESCJ-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN CCCC(CCC)C(=O)N1CCC2(CCC2)C1 ZINC000127429740 387712742 /nfs/dbraw/zinc/71/27/42/387712742.db2.gz UJXJDVJCTPLTLM-UHFFFAOYSA-N 0 0 237.387 3.605 20 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WASKGMHGRRBLKV-OCCSQVGLSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)C1=CCCC1 ZINC000127571433 324775271 /nfs/dbraw/zinc/77/52/71/324775271.db2.gz WASKGMHGRRBLKV-JSGCOSHPSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)C1=CCCC1 ZINC000127571677 388727715 /nfs/dbraw/zinc/72/77/15/388727715.db2.gz WASKGMHGRRBLKV-TZMCWYRMSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H]1CCCC[C@H]1N(C)C(=O)C1=CCCC1 ZINC000127571932 388727676 /nfs/dbraw/zinc/72/76/76/388727676.db2.gz WASKGMHGRRBLKV-GXTWGEPZSA-N 0 0 235.371 3.524 20 0 BHADRN CC(=O)c1ccccc1NC/C(Cl)=C/Cl ZINC000127576185 590714910 /nfs/dbraw/zinc/71/49/10/590714910.db2.gz WZUCLRATRYUYDY-TWGQIWQCSA-N 0 0 244.121 3.620 20 0 BHADRN CCC1(CNC(=O)C(C2CC2)C2CC2)CCCC1 ZINC000127576458 324776641 /nfs/dbraw/zinc/77/66/41/324776641.db2.gz YJVNDLNUHFIIKO-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN COc1ccccc1CSCc1cccnc1 ZINC000127576802 344566626 /nfs/dbraw/zinc/56/66/26/344566626.db2.gz LDFGGOPUHZXHHE-UHFFFAOYSA-N 0 0 245.347 3.524 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590716111 /nfs/dbraw/zinc/71/61/11/590716111.db2.gz WLZGPPBMUKNOJN-UHFFFAOYSA-N 0 0 219.259 3.648 20 0 BHADRN Cc1cc(CNc2ccc(C)cc2)c(C)o1 ZINC000127595148 590716038 /nfs/dbraw/zinc/71/60/38/590716038.db2.gz YELVGGWAVGUPAG-UHFFFAOYSA-N 0 0 215.296 3.817 20 0 BHADRN Cc1cc(CNc2cccc(F)c2)c(C)o1 ZINC000127595360 590717032 /nfs/dbraw/zinc/71/70/32/590717032.db2.gz KBSMYISDXBAPOF-UHFFFAOYSA-N 0 0 219.259 3.648 20 0 BHADRN CCC(CC)CC(=O)N(C)c1ccccc1F ZINC000127595409 388726572 /nfs/dbraw/zinc/72/65/72/388726572.db2.gz MZDMLNNKKDOTGD-UHFFFAOYSA-N 0 0 237.318 3.615 20 0 BHADRN C[C@@H]1CC[C@H](CC(=O)N(C)c2ccccc2F)C1 ZINC000127595656 324777233 /nfs/dbraw/zinc/77/72/33/324777233.db2.gz FOIYYZLINHAMMS-NEPJUHHUSA-N 0 0 249.329 3.615 20 0 BHADRN C[C@H]1CC[C@H](CC(=O)N(C)c2ccccc2F)C1 ZINC000127595869 324777723 /nfs/dbraw/zinc/77/77/23/324777723.db2.gz FOIYYZLINHAMMS-RYUDHWBXSA-N 0 0 249.329 3.615 20 0 BHADRN C[C@@H]1CC[C@@H](CC(=O)N(C)c2ccccc2F)C1 ZINC000127596094 324777508 /nfs/dbraw/zinc/77/75/08/324777508.db2.gz FOIYYZLINHAMMS-VXGBXAGGSA-N 0 0 249.329 3.615 20 0 BHADRN C[C@H]1CC[C@@H](CC(=O)N(C)c2ccccc2F)C1 ZINC000127596359 388726473 /nfs/dbraw/zinc/72/64/73/388726473.db2.gz FOIYYZLINHAMMS-NWDGAFQWSA-N 0 0 249.329 3.615 20 0 BHADRN CCCCCCC(=O)Oc1ccc(C(C)=O)cc1 ZINC000127612194 636650222 /nfs/dbraw/zinc/65/02/22/636650222.db2.gz DSCJSIVASGJCEM-UHFFFAOYSA-N 0 0 248.322 3.765 20 0 BHADRN CCCCCCC(=O)Oc1ccccc1OC ZINC000127614089 636650324 /nfs/dbraw/zinc/65/03/24/636650324.db2.gz GOGRWUHCCHWFKQ-UHFFFAOYSA-N 0 0 236.311 3.571 20 0 BHADRN CCC(CC)[S@@](=O)Cc1c(C)cccc1C ZINC000127615662 384923725 /nfs/dbraw/zinc/92/37/25/384923725.db2.gz CBTZFZPTADBFTM-MRXNPFEDSA-N 0 0 238.396 3.741 20 0 BHADRN CCC(CC)[S@](=O)Cc1c(C)cccc1C ZINC000127615891 168410377 /nfs/dbraw/zinc/41/03/77/168410377.db2.gz CBTZFZPTADBFTM-INIZCTEOSA-N 0 0 238.396 3.741 20 0 BHADRN COc1ccccc1CSC/C=C/Cl ZINC000127616623 590724907 /nfs/dbraw/zinc/72/49/07/590724907.db2.gz VETSALOZPIIPRC-QPJJXVBHSA-N 0 0 228.744 3.681 20 0 BHADRN CCCCCCSCc1noc(C2CC2)n1 ZINC000127625179 590726252 /nfs/dbraw/zinc/72/62/52/590726252.db2.gz DRYKSJWADGXIJK-UHFFFAOYSA-N 0 0 240.372 3.761 20 0 BHADRN CCCCCCC(=O)N(C)Cc1ccc(C)o1 ZINC000127628861 636653017 /nfs/dbraw/zinc/65/30/17/636653017.db2.gz JJZBLKYPHMVHRA-UHFFFAOYSA-N 0 0 237.343 3.517 20 0 BHADRN CCCCCCC(=O)Nc1cc(F)ccc1F ZINC000127632034 636652314 /nfs/dbraw/zinc/65/23/14/636652314.db2.gz MOXUAVPLRJPRCW-UHFFFAOYSA-N 0 0 241.281 3.874 20 0 BHADRN Cc1occc1C(=O)O[C@@H](C)c1ccccc1 ZINC000127633484 590725903 /nfs/dbraw/zinc/72/59/03/590725903.db2.gz ZQZVOQULKZGBEN-JTQLQIEISA-N 0 0 230.263 3.506 20 0 BHADRN Cc1cnc(CNc2c(C)cc(C)cc2C)o1 ZINC000127635291 384926773 /nfs/dbraw/zinc/92/67/73/384926773.db2.gz XQNPULGQZOUGBO-UHFFFAOYSA-N 0 0 230.311 3.520 20 0 BHADRN Cc1cccc(N2CCC[C@@H]2c2ccccc2)n1 ZINC000127638192 388728137 /nfs/dbraw/zinc/72/81/37/388728137.db2.gz SEDOTBDDBBQCCV-OAHLLOKOSA-N 0 0 238.334 3.732 20 0 BHADRN Cc1cccc(N2CCC[C@H]2c2ccccc2)n1 ZINC000127638414 388727968 /nfs/dbraw/zinc/72/79/68/388727968.db2.gz SEDOTBDDBBQCCV-HNNXBMFYSA-N 0 0 238.334 3.732 20 0 BHADRN Cc1cnc(CNc2ccc(C(C)(C)C)cc2)o1 ZINC000127645611 384927462 /nfs/dbraw/zinc/92/74/62/384927462.db2.gz ARPHOZPSACXWRF-UHFFFAOYSA-N 0 0 244.338 3.893 20 0 BHADRN CCCc1ccc(NCc2ncc(C)o2)cc1 ZINC000127646017 590736200 /nfs/dbraw/zinc/73/62/00/590736200.db2.gz NNRLRZGVFDTCOU-UHFFFAOYSA-N 0 0 230.311 3.548 20 0 BHADRN COc1ccccc1CSCc1ccncc1 ZINC000127656179 344583550 /nfs/dbraw/zinc/58/35/50/344583550.db2.gz UYHCUXHFBZULLA-UHFFFAOYSA-N 0 0 245.347 3.524 20 0 BHADRN Cc1cc(C(=O)N2CCCC(C)(C)CC2)oc1C ZINC000127664078 388728499 /nfs/dbraw/zinc/72/84/99/388728499.db2.gz LKUXLHHPGOOFKN-UHFFFAOYSA-N 0 0 249.354 3.549 20 0 BHADRN CCCN(CC1CC1)C(=O)c1cccc(C)c1C ZINC000127667990 388730022 /nfs/dbraw/zinc/73/00/22/388730022.db2.gz TWTZHNRZEJWKRH-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)[C@H]2CC2(C)C)c1 ZINC000127668184 388729974 /nfs/dbraw/zinc/72/99/74/388729974.db2.gz QLXJKQIGOBBRAF-SECBINFHSA-N 0 0 237.730 3.633 20 0 BHADRN C[C@@H]1CCCN1c1nc(-c2ccccc2)cs1 ZINC000127672137 388730031 /nfs/dbraw/zinc/73/00/31/388730031.db2.gz XJCQIPSCSGCGAL-LLVKDONJSA-N 0 0 244.363 3.799 20 0 BHADRN C[C@H]1CCCN1c1nc(-c2ccccc2)cs1 ZINC000127672353 388730160 /nfs/dbraw/zinc/73/01/60/388730160.db2.gz XJCQIPSCSGCGAL-NSHDSACASA-N 0 0 244.363 3.799 20 0 BHADRN CCCC(CCC)C(=O)Nc1ccsc1 ZINC000127685262 388730384 /nfs/dbraw/zinc/73/03/84/388730384.db2.gz UVNCLGIIMZWWBQ-UHFFFAOYSA-N 0 0 225.357 3.903 20 0 BHADRN Cc1cccc(N(Cc2cccs2)C2CC2)n1 ZINC000127694014 179118762 /nfs/dbraw/zinc/11/87/62/179118762.db2.gz AQBVQULTZGMYBF-UHFFFAOYSA-N 0 0 244.363 3.621 20 0 BHADRN CCCc1ccccc1NCc1ncc(C)o1 ZINC000127694710 384935310 /nfs/dbraw/zinc/93/53/10/384935310.db2.gz DULAUVGZGFKOAM-UHFFFAOYSA-N 0 0 230.311 3.548 20 0 BHADRN CCCCCCC(=O)Oc1cccc(C(C)=O)c1 ZINC000127709071 582819182 /nfs/dbraw/zinc/81/91/82/582819182.db2.gz QFOYHEHQRNVNFK-UHFFFAOYSA-N 0 0 248.322 3.765 20 0 BHADRN CCCCCCC(=O)Nc1ccc(C)cc1O ZINC000127734556 590766057 /nfs/dbraw/zinc/76/60/57/590766057.db2.gz YWGXSNHDVPFWKO-UHFFFAOYSA-N 0 0 235.327 3.610 20 0 BHADRN CCSCCOc1cccc2ccc(C)nc21 ZINC000127735188 387724256 /nfs/dbraw/zinc/72/42/56/387724256.db2.gz DDLRUQCMNSJXGL-UHFFFAOYSA-N 0 0 247.363 3.675 20 0 BHADRN CCCOc1ccccc1OCCSCC ZINC000127737644 169327596 /nfs/dbraw/zinc/32/75/96/169327596.db2.gz UXHOLSIRTFQSAO-UHFFFAOYSA-N 0 0 240.368 3.607 20 0 BHADRN CCCCCCSCc1nccs1 ZINC000127738981 590766295 /nfs/dbraw/zinc/76/62/95/590766295.db2.gz GMMMJSJEXOPMLL-UHFFFAOYSA-N 0 0 215.387 3.957 20 0 BHADRN CC(C)(C)CCCC(=O)NCCCC1CC1 ZINC000127762936 323005742 /nfs/dbraw/zinc/00/57/42/323005742.db2.gz SUODFTDQEOGICM-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC[C@@H](C)C(=O)N(CC)c1ccc(F)cc1 ZINC000127766720 323005712 /nfs/dbraw/zinc/00/57/12/323005712.db2.gz MGLBDKGPFNHAKA-LLVKDONJSA-N 0 0 237.318 3.615 20 0 BHADRN CCC[C@H](C)C(=O)N(CC)c1ccc(F)cc1 ZINC000127766987 411253029 /nfs/dbraw/zinc/25/30/29/411253029.db2.gz MGLBDKGPFNHAKA-NSHDSACASA-N 0 0 237.318 3.615 20 0 BHADRN CC[C@H](C(=O)N(CC)CC(C)C)c1ccccc1 ZINC000127793915 388731557 /nfs/dbraw/zinc/73/15/57/388731557.db2.gz VCGFFSVSGXXFTR-HNNXBMFYSA-N 0 0 247.382 3.685 20 0 BHADRN CC[C@@H](C(=O)N(CC)CC(C)C)c1ccccc1 ZINC000127794167 388732271 /nfs/dbraw/zinc/73/22/71/388732271.db2.gz VCGFFSVSGXXFTR-OAHLLOKOSA-N 0 0 247.382 3.685 20 0 BHADRN Cc1ccc(Cl)c(NCc2ccoc2)c1 ZINC000127799704 590780134 /nfs/dbraw/zinc/78/01/34/590780134.db2.gz UIXNMBFEEDINOA-UHFFFAOYSA-N 0 0 221.687 3.854 20 0 BHADRN c1ccc2c(c1)CC[C@H](Sc1ccncc1)C2 ZINC000127804325 590787548 /nfs/dbraw/zinc/78/75/48/590787548.db2.gz NJWIGASRSBUSRH-HNNXBMFYSA-N 0 0 241.359 3.731 20 0 BHADRN CCC(CC)CNc1cc(CO)ccc1Cl ZINC000127804574 490560236 /nfs/dbraw/zinc/56/02/36/490560236.db2.gz GHMODOAYKKQFLJ-UHFFFAOYSA-N 0 0 241.762 3.680 20 0 BHADRN c1ccc2c(c1)CC[C@@H](Sc1ccncc1)C2 ZINC000127804575 590788353 /nfs/dbraw/zinc/78/83/53/590788353.db2.gz NJWIGASRSBUSRH-OAHLLOKOSA-N 0 0 241.359 3.731 20 0 BHADRN Cc1cccc(NCc2cc[nH]c2)c1Cl ZINC000127809266 388731593 /nfs/dbraw/zinc/73/15/93/388731593.db2.gz PINRGQPSFZNWDR-UHFFFAOYSA-N 0 0 220.703 3.589 20 0 BHADRN Cc1cccc(NCc2ccoc2)c1Cl ZINC000127809609 590787832 /nfs/dbraw/zinc/78/78/32/590787832.db2.gz OWOQEIRHOJMGDT-UHFFFAOYSA-N 0 0 221.687 3.854 20 0 BHADRN CCCCCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127814903 590789824 /nfs/dbraw/zinc/78/98/24/590789824.db2.gz ZJDFKHXZPCAQLI-ZDUSSCGKSA-N 0 0 220.360 3.655 20 0 BHADRN CCCCCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000127815139 590789410 /nfs/dbraw/zinc/78/94/10/590789410.db2.gz ZJDFKHXZPCAQLI-CYBMUJFWSA-N 0 0 220.360 3.655 20 0 BHADRN CCCC(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000127843857 388732318 /nfs/dbraw/zinc/73/23/18/388732318.db2.gz YEAQTVJSFFXSDH-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CC1(C)CC(NC(=O)c2ccco2)CC(C)(C)C1 ZINC000127844082 387728267 /nfs/dbraw/zinc/72/82/67/387728267.db2.gz XFICCGYAGVENOW-UHFFFAOYSA-N 0 0 249.354 3.614 20 0 BHADRN CCCC(=O)O[C@@H](C)c1c(F)cc(F)cc1F ZINC000127844268 590814545 /nfs/dbraw/zinc/81/45/45/590814545.db2.gz GZSLDCNDHYKTFQ-ZETCQYMHSA-N 0 0 246.228 3.508 20 0 BHADRN CCCC(=O)O[C@H](C)c1c(F)cc(F)cc1F ZINC000127844478 590814124 /nfs/dbraw/zinc/81/41/24/590814124.db2.gz GZSLDCNDHYKTFQ-SSDOTTSWSA-N 0 0 246.228 3.508 20 0 BHADRN CC(C)(C)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000127847856 324791274 /nfs/dbraw/zinc/79/12/74/324791274.db2.gz LPUXDYYXJSEBHI-UHFFFAOYSA-N 0 0 239.403 3.754 20 0 BHADRN CCCCCCSCc1nnc(CC)s1 ZINC000127856352 590823396 /nfs/dbraw/zinc/82/33/96/590823396.db2.gz UABCLLQIXSMABK-UHFFFAOYSA-N 0 0 244.429 3.914 20 0 BHADRN COc1ccnc(CSCC2CCCC2)c1 ZINC000127859953 324791747 /nfs/dbraw/zinc/79/17/47/324791747.db2.gz RAIYPGNBUVIBTR-UHFFFAOYSA-N 0 0 237.368 3.514 20 0 BHADRN CCSCCOc1ccccc1SCC ZINC000127881126 324792671 /nfs/dbraw/zinc/79/26/71/324792671.db2.gz KHIPSBBSMUSNNM-UHFFFAOYSA-N 0 0 242.409 3.931 20 0 BHADRN Cc1cnc(CNc2cccc(C(F)F)c2)o1 ZINC000127883797 384959482 /nfs/dbraw/zinc/95/94/82/384959482.db2.gz NVGIPKKLHRJXJH-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN Cc1ccc(CN(C)C(=O)C2=CCCCC2)s1 ZINC000127890477 384958559 /nfs/dbraw/zinc/95/85/59/384958559.db2.gz PASODCAZYZZJCM-UHFFFAOYSA-N 0 0 249.379 3.515 20 0 BHADRN Cc1cc(NC(=O)C2=CCCCC2)ccc1F ZINC000127922849 324795932 /nfs/dbraw/zinc/79/59/32/324795932.db2.gz GLRWHKLBIJWLCC-UHFFFAOYSA-N 0 0 233.286 3.573 20 0 BHADRN CCCC(CCC)C(=O)Nc1ccc(C)nc1 ZINC000127924967 388734536 /nfs/dbraw/zinc/73/45/36/388734536.db2.gz QGULILDTXWLRDQ-UHFFFAOYSA-N 0 0 234.343 3.545 20 0 BHADRN C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000127927641 344683772 /nfs/dbraw/zinc/68/37/72/344683772.db2.gz WFOXWJAMRVUMNT-IPYPFGDCSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000127927862 344683803 /nfs/dbraw/zinc/68/38/03/344683803.db2.gz WFOXWJAMRVUMNT-YDHLFZDLSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000127928064 344682756 /nfs/dbraw/zinc/68/27/56/344682756.db2.gz WFOXWJAMRVUMNT-VNHYZAJKSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000127928305 344682699 /nfs/dbraw/zinc/68/26/99/344682699.db2.gz WFOXWJAMRVUMNT-KCQAQPDRSA-N 0 0 245.366 3.690 20 0 BHADRN CCC(CC)CC(=O)Nc1ccc(OC)cc1C ZINC000127944841 324796848 /nfs/dbraw/zinc/79/68/48/324796848.db2.gz ONKIIEGGDLQGLE-UHFFFAOYSA-N 0 0 249.354 3.768 20 0 BHADRN CCC(=CC(=O)Nc1ccc(OC)cc1C)CC ZINC000127945924 168195280 /nfs/dbraw/zinc/19/52/80/168195280.db2.gz SFDCARAIEPXECI-UHFFFAOYSA-N 0 0 247.338 3.689 20 0 BHADRN CC[C@@H](C)C(=O)N1CCCC[C@@H]1CCC(C)C ZINC000127947248 324797030 /nfs/dbraw/zinc/79/70/30/324797030.db2.gz BSYVIQBVNZNACO-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)C(=O)N1CCCC[C@@H]1CCC(C)C ZINC000127947474 388733960 /nfs/dbraw/zinc/73/39/60/388733960.db2.gz BSYVIQBVNZNACO-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H](C)C(=O)N1CCCC[C@H]1CCC(C)C ZINC000127947671 324796655 /nfs/dbraw/zinc/79/66/55/324796655.db2.gz BSYVIQBVNZNACO-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)C(=O)N1CCCC[C@H]1CCC(C)C ZINC000127947897 324796840 /nfs/dbraw/zinc/79/68/40/324796840.db2.gz BSYVIQBVNZNACO-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1cc(F)cc(NC(=O)C(C2CC2)C2CC2)c1 ZINC000127948955 388734329 /nfs/dbraw/zinc/73/43/29/388734329.db2.gz MJEBINNJHKPUHG-UHFFFAOYSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1noc(C)c1CCSc1cccs1 ZINC000127949477 388733833 /nfs/dbraw/zinc/73/38/33/388733833.db2.gz XPXHZHYLLPPNJV-UHFFFAOYSA-N 0 0 239.365 3.688 20 0 BHADRN CC(C)(C)Oc1ccccc1NCC1CC1 ZINC000127951985 388733914 /nfs/dbraw/zinc/73/39/14/388733914.db2.gz ZKQIGCKCAWWPHK-UHFFFAOYSA-N 0 0 219.328 3.686 20 0 BHADRN CC1(C)CC[C@H](NC(=S)Nc2ccccc2)C1 ZINC000127974860 590859769 /nfs/dbraw/zinc/85/97/69/590859769.db2.gz NHXANQKJOOXMAF-LBPRGKRZSA-N 0 0 248.395 3.552 20 0 BHADRN CC1(C)CC[C@@H](NC(=S)Nc2ccccc2)C1 ZINC000127975097 590859519 /nfs/dbraw/zinc/85/95/19/590859519.db2.gz 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237.387 3.605 20 0 BHADRN CC[C@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC000127983992 343755589 /nfs/dbraw/zinc/75/55/89/343755589.db2.gz OFYOKGBINMYJCZ-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1noc(C)c1CCSc1cccc(C)c1 ZINC000127993409 343756135 /nfs/dbraw/zinc/75/61/35/343756135.db2.gz UYCXUOSFKBSQEZ-UHFFFAOYSA-N 0 0 247.363 3.935 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N(C)C2CCCCC2)C1 ZINC000127996750 388735472 /nfs/dbraw/zinc/73/54/72/388735472.db2.gz DENVTRYDASFXSG-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@H](C(=O)N(C)C2CCCCC2)C1 ZINC000127996947 324799291 /nfs/dbraw/zinc/79/92/91/324799291.db2.gz DENVTRYDASFXSG-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N(C)C2CCCCC2)C1 ZINC000127997168 323006104 /nfs/dbraw/zinc/00/61/04/323006104.db2.gz DENVTRYDASFXSG-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@@H](C(=O)N(C)C2CCCCC2)C1 ZINC000127997394 322893195 /nfs/dbraw/zinc/89/31/95/322893195.db2.gz DENVTRYDASFXSG-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN 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245.432 3.555 20 0 BHADRN CC(C)CC[C@@H]1CCCCN1C(=O)CC(C)C ZINC000128051850 324803561 /nfs/dbraw/zinc/80/35/61/324803561.db2.gz AQBCUHBBJKKNKF-AWEZNQCLSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1ccc(NCc2cccc3cccnc32)cn1 ZINC000128052048 385118462 /nfs/dbraw/zinc/11/84/62/385118462.db2.gz UTMCDMYRBMZHBY-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CC(C)CC[C@H]1CCCCN1C(=O)CC(C)C ZINC000128052088 388737799 /nfs/dbraw/zinc/73/77/99/388737799.db2.gz AQBCUHBBJKKNKF-CQSZACIVSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCCSCCCn1ccnc1C ZINC000128053796 590885380 /nfs/dbraw/zinc/88/53/80/590885380.db2.gz SEECYAXFQLTJRQ-UHFFFAOYSA-N 0 0 240.416 3.895 20 0 BHADRN CCCCCCS[C@@H](C)C(=O)NC(C)(C)C ZINC000128058397 590885022 /nfs/dbraw/zinc/88/50/22/590885022.db2.gz HVZUDJNTGYDQKE-NSHDSACASA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCCS[C@H](C)C(=O)NC(C)(C)C ZINC000128058644 590884662 /nfs/dbraw/zinc/88/46/62/590884662.db2.gz HVZUDJNTGYDQKE-LLVKDONJSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCCCS[C@@H](C)C(=O)N[C@@H](C)CC 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CC(=O)Nc1ccc(N[C@H]2CCC(C)(C)C2)cc1 ZINC000129194177 188155116 /nfs/dbraw/zinc/15/51/16/188155116.db2.gz IDVRFBZQWRZTMY-AWEZNQCLSA-N 0 0 246.354 3.636 20 0 BHADRN CCC(CC)COc1ccc([C@@H](C)O)cc1 ZINC000129195738 591267525 /nfs/dbraw/zinc/26/75/25/591267525.db2.gz YDMAAKSKRRHJGC-LLVKDONJSA-N 0 0 222.328 3.555 20 0 BHADRN CCC(CC)COc1ccc([C@H](C)O)cc1 ZINC000129195945 591267607 /nfs/dbraw/zinc/26/76/07/591267607.db2.gz YDMAAKSKRRHJGC-NSHDSACASA-N 0 0 222.328 3.555 20 0 BHADRN COc1ccc(N[C@H]2CCC(C)(C)C2)c(OC)c1 ZINC000129196793 591267464 /nfs/dbraw/zinc/26/74/64/591267464.db2.gz GPJUFSNNUJVSNE-NSHDSACASA-N 0 0 249.354 3.694 20 0 BHADRN COc1ccc(N[C@@H]2CCC(C)(C)C2)c(OC)c1 ZINC000129196994 591267564 /nfs/dbraw/zinc/26/75/64/591267564.db2.gz GPJUFSNNUJVSNE-LLVKDONJSA-N 0 0 249.354 3.694 20 0 BHADRN COc1ccc(N[C@H]2CCC(C)(C)C2)cc1OC ZINC000129205562 591269419 /nfs/dbraw/zinc/26/94/19/591269419.db2.gz VZNKXZSFFNPUMM-LBPRGKRZSA-N 0 0 249.354 3.694 20 0 BHADRN COc1ccc(N[C@@H]2CCC(C)(C)C2)cc1OC 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KCUFYJRGRFEEGQ-LLVKDONJSA-N 0 0 237.318 3.825 20 0 BHADRN C[C@H](NC(=O)CCC1CCCCC1)C1CCC1 ZINC000129280075 490046435 /nfs/dbraw/zinc/04/64/35/490046435.db2.gz YGFZDPSRECXFNG-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H](NC(=O)CCC1CCCCC1)C1CCC1 ZINC000129280302 490046465 /nfs/dbraw/zinc/04/64/65/490046465.db2.gz YGFZDPSRECXFNG-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CN(C)c1ccc(N[C@H]2CCC(C)(C)C2)cc1 ZINC000129288148 591276087 /nfs/dbraw/zinc/27/60/87/591276087.db2.gz HZGLDKPTCXXVIZ-ZDUSSCGKSA-N 0 0 232.371 3.743 20 0 BHADRN CN(C)c1ccc(N[C@@H]2CCC(C)(C)C2)cc1 ZINC000129288362 591275972 /nfs/dbraw/zinc/27/59/72/591275972.db2.gz HZGLDKPTCXXVIZ-CYBMUJFWSA-N 0 0 232.371 3.743 20 0 BHADRN COCc1cccc(N[C@H]2CCC(C)(C)C2)c1 ZINC000129291340 388829413 /nfs/dbraw/zinc/82/94/13/388829413.db2.gz YYFBUTPMZWHKPY-AWEZNQCLSA-N 0 0 233.355 3.824 20 0 BHADRN CCc1c[nH]c(SCc2cccc(C)c2)n1 ZINC000129291382 388829695 /nfs/dbraw/zinc/82/96/95/388829695.db2.gz OWAZHIXEDAODBQ-UHFFFAOYSA-N 0 0 232.352 3.573 20 0 BHADRN COCc1cccc(N[C@@H]2CCC(C)(C)C2)c1 ZINC000129291571 388829097 /nfs/dbraw/zinc/82/90/97/388829097.db2.gz YYFBUTPMZWHKPY-CQSZACIVSA-N 0 0 233.355 3.824 20 0 BHADRN CC(C)N(C(=O)[C@H]1CC1(C)C)c1ccc(F)cc1 ZINC000129314375 324936855 /nfs/dbraw/zinc/93/68/55/324936855.db2.gz LNQGMSDSWQKOBL-CYBMUJFWSA-N 0 0 249.329 3.613 20 0 BHADRN Cc1cc(F)ccc1OC/C(Cl)=C/Cl ZINC000129320132 591276620 /nfs/dbraw/zinc/27/66/20/591276620.db2.gz AISBVFDQTNIIMA-YVMONPNESA-N 0 0 235.085 3.832 20 0 BHADRN CC(C)SCCc1ccc(F)c(F)c1 ZINC000129337469 388832202 /nfs/dbraw/zinc/83/22/02/388832202.db2.gz BDBNBUMVYFRFHZ-UHFFFAOYSA-N 0 0 216.296 3.649 20 0 BHADRN CCc1c[nH]c(SCc2ccc(C)cc2)n1 ZINC000129339837 388833693 /nfs/dbraw/zinc/83/36/93/388833693.db2.gz NJZQMRSHQJTYCM-UHFFFAOYSA-N 0 0 232.352 3.573 20 0 BHADRN CCCC(CCC)C(=O)N[C@@H](C)C1CCC1 ZINC000129353913 491110126 /nfs/dbraw/zinc/11/01/26/491110126.db2.gz RKNZRXDVNTVLEL-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(CCC)C(=O)N[C@H](C)C1CCC1 ZINC000129354151 491110119 /nfs/dbraw/zinc/11/01/19/491110119.db2.gz RKNZRXDVNTVLEL-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN FC(F)(F)CN(Cc1cccs1)CC1CC1 ZINC000129362812 388835620 /nfs/dbraw/zinc/83/56/20/388835620.db2.gz QXPVKCHKULWCPS-UHFFFAOYSA-N 0 0 249.301 3.522 20 0 BHADRN CC1(C)CC[C@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000129363576 324940602 /nfs/dbraw/zinc/94/06/02/324940602.db2.gz GFPFPWWMRUBBCC-LBPRGKRZSA-N 0 0 229.327 3.554 20 0 BHADRN CC1(C)CC[C@@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000129363830 324940787 /nfs/dbraw/zinc/94/07/87/324940787.db2.gz GFPFPWWMRUBBCC-GFCCVEGCSA-N 0 0 229.327 3.554 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)CCC(C)C)C1 ZINC000129365457 388835601 /nfs/dbraw/zinc/83/56/01/388835601.db2.gz ITJMGHJZJTZTSV-OLZOCXBDSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H]1CCC[C@H](NC(=O)CCC(C)C)C1 ZINC000129365675 388835512 /nfs/dbraw/zinc/83/55/12/388835512.db2.gz ITJMGHJZJTZTSV-STQMWFEESA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)CCC(C)C)C1 ZINC000129365903 388835236 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344150478 /nfs/dbraw/zinc/15/04/78/344150478.db2.gz ACLIIWNJBKVTKJ-UHFFFAOYSA-N 0 0 240.665 3.653 20 0 BHADRN Cc1cc(-c2nc(C(C)C)no2)c(C)s1 ZINC000130618229 490532460 /nfs/dbraw/zinc/53/24/60/490532460.db2.gz UTGMLJUPINLGNJ-UHFFFAOYSA-N 0 0 222.313 3.538 20 0 BHADRN CC(C)c1noc(-c2coc3ccccc23)n1 ZINC000130627909 344151094 /nfs/dbraw/zinc/15/10/94/344151094.db2.gz XYVCCDVDAGTWIA-UHFFFAOYSA-N 0 0 228.251 3.606 20 0 BHADRN CC(C)c1noc(CCCC(C)(C)C)n1 ZINC000130633379 344152411 /nfs/dbraw/zinc/15/24/11/344152411.db2.gz CJHPYLMCTPGZDS-UHFFFAOYSA-N 0 0 210.321 3.562 20 0 BHADRN CC[C@@H](Cc1nc(C(C)C)no1)c1ccccc1 ZINC000130636455 344152457 /nfs/dbraw/zinc/15/24/57/344152457.db2.gz ATZCVXWWNJMXLW-LBPRGKRZSA-N 0 0 244.338 3.929 20 0 BHADRN CC[C@H](Cc1nc(C(C)C)no1)c1ccccc1 ZINC000130636661 344152454 /nfs/dbraw/zinc/15/24/54/344152454.db2.gz ATZCVXWWNJMXLW-GFCCVEGCSA-N 0 0 244.338 3.929 20 0 BHADRN CC(C)c1noc(C(C)(C)Cc2ccccc2)n1 ZINC000130639168 344152460 /nfs/dbraw/zinc/15/24/60/344152460.db2.gz 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591702185 /nfs/dbraw/zinc/70/21/85/591702185.db2.gz LZUDWNHJIOCBNC-LLVKDONJSA-N 0 0 237.393 3.974 20 0 BHADRN Cc1ccc([S@@](=O)[C@@H](C)c2ccccc2)cc1 ZINC000132349960 371796118 /nfs/dbraw/zinc/79/61/18/371796118.db2.gz WJJIRGADWPVKQD-SUMWQHHRSA-N 0 0 244.359 3.864 20 0 BHADRN Cc1ccc([S@](=O)[C@@H](C)c2ccccc2)cc1 ZINC000132350176 371796328 /nfs/dbraw/zinc/79/63/28/371796328.db2.gz WJJIRGADWPVKQD-GUYCJALGSA-N 0 0 244.359 3.864 20 0 BHADRN Cc1ccc([S@@](=O)[C@H](C)c2ccccc2)cc1 ZINC000132350389 371795723 /nfs/dbraw/zinc/79/57/23/371795723.db2.gz WJJIRGADWPVKQD-CXAGYDPISA-N 0 0 244.359 3.864 20 0 BHADRN Cc1ccc([S@](=O)[C@H](C)c2ccccc2)cc1 ZINC000132350595 371795432 /nfs/dbraw/zinc/79/54/32/371795432.db2.gz WJJIRGADWPVKQD-DYVFJYSZSA-N 0 0 244.359 3.864 20 0 BHADRN C[C@@H]1CC[C@H](NCC(F)(F)c2ccccc2)C1 ZINC000132355631 191030748 /nfs/dbraw/zinc/03/07/48/191030748.db2.gz YAKCXUVHULXTRU-YPMHNXCESA-N 0 0 239.309 3.557 20 0 BHADRN C[C@H]1CC[C@H](NCC(F)(F)c2ccccc2)C1 ZINC000132355851 191030815 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134653495 /nfs/dbraw/zinc/65/34/95/134653495.db2.gz FBVFXWJQCGQREE-KGLIPLIRSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H]1CC[C@H](CC(=O)N2CCC3(CCCC3)C2)C1 ZINC000132378725 345329352 /nfs/dbraw/zinc/32/93/52/345329352.db2.gz FBVFXWJQCGQREE-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CC[C@@H](CC(=O)N2CCC3(CCCC3)C2)C1 ZINC000132378940 358720551 /nfs/dbraw/zinc/72/05/51/358720551.db2.gz FBVFXWJQCGQREE-ZIAGYGMSSA-N 0 0 249.398 3.605 20 0 BHADRN CC(C)c1cnc(-c2ccc(O)cc2)s1 ZINC000132379033 411913812 /nfs/dbraw/zinc/91/38/12/411913812.db2.gz UDUZHJCPBIHLFV-UHFFFAOYSA-N 0 0 219.309 3.639 20 0 BHADRN C[C@H]1CC[C@@H](CC(=O)N2CCC3(CCCC3)C2)C1 ZINC000132379135 358720340 /nfs/dbraw/zinc/72/03/40/358720340.db2.gz FBVFXWJQCGQREE-UONOGXRCSA-N 0 0 249.398 3.605 20 0 BHADRN CCC(=CC(=O)N1CCC2(CCCC2)C1)CC ZINC000132379352 591705982 /nfs/dbraw/zinc/70/59/82/591705982.db2.gz ZBLLWDUKTOXYQP-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CC(C)c1cnc(-c2ccccc2O)s1 ZINC000132379538 711957872 /nfs/dbraw/zinc/95/78/72/711957872.db2.gz AFDOOCHFYCZLRJ-UHFFFAOYSA-N 0 0 219.309 3.639 20 0 BHADRN CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000132382501 191031526 /nfs/dbraw/zinc/03/15/26/191031526.db2.gz BXUMHPJWFRRCRT-YNEHKIRRSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000132382773 191032312 /nfs/dbraw/zinc/03/23/12/191032312.db2.gz BXUMHPJWFRRCRT-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN CCCOc1ccc(Oc2nccs2)cc1 ZINC000132395229 325213868 /nfs/dbraw/zinc/21/38/68/325213868.db2.gz BIWHBWASRHAVBT-UHFFFAOYSA-N 0 0 235.308 3.724 20 0 BHADRN FC(F)COc1cc(Cl)ccc1Cl ZINC000132396358 491136031 /nfs/dbraw/zinc/13/60/31/491136031.db2.gz NOJUVPJMNVASOM-UHFFFAOYSA-N 0 0 227.037 3.637 20 0 BHADRN CCC(=CC(=O)Nc1c(C)cccc1C)CC ZINC000132404638 168195599 /nfs/dbraw/zinc/19/55/99/168195599.db2.gz NWVYRNBHQLWFPS-UHFFFAOYSA-N 0 0 231.339 3.988 20 0 BHADRN CC(C)(F)c1nc(-c2cccc(Cl)c2)no1 ZINC000132437736 187298267 /nfs/dbraw/zinc/29/82/67/187298267.db2.gz 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ZYSQYKRRASGTBG-UHFFFAOYSA-N 0 0 248.395 3.505 20 0 BHADRN Fc1ccc(NCc2cnc(Cl)s2)cc1 ZINC000132454511 591710575 /nfs/dbraw/zinc/71/05/75/591710575.db2.gz FZKMPJCUPRLLDT-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN COCCCCNc1ccc(Cl)c(Cl)c1 ZINC000132456981 191033443 /nfs/dbraw/zinc/03/34/43/191033443.db2.gz CTHTXQJAVCKXMV-UHFFFAOYSA-N 0 0 248.153 3.832 20 0 BHADRN COCCCCNc1cc(Cl)ccc1Cl ZINC000132458098 191032512 /nfs/dbraw/zinc/03/25/12/191032512.db2.gz RKHMIQAWZUATDS-UHFFFAOYSA-N 0 0 248.153 3.832 20 0 BHADRN Fc1cccc(NCc2cnc(Cl)s2)c1 ZINC000132460531 591710256 /nfs/dbraw/zinc/71/02/56/591710256.db2.gz IVUXRTDQGWWFQO-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN COCCCCNc1cccc2ccccc21 ZINC000132461192 191032814 /nfs/dbraw/zinc/03/28/14/191032814.db2.gz YZSISPMGZLCBES-UHFFFAOYSA-N 0 0 229.323 3.678 20 0 BHADRN OCCCCCCNc1cccc2ccccc21 ZINC000132461393 183044464 /nfs/dbraw/zinc/04/44/64/183044464.db2.gz GNJPLAPRZCOERH-UHFFFAOYSA-N 0 0 243.350 3.804 20 0 BHADRN OCCCCCCNc1ccc2ccccc2c1 ZINC000132462217 183043596 /nfs/dbraw/zinc/04/35/96/183043596.db2.gz UNKDAIZJNMRJEU-UHFFFAOYSA-N 0 0 243.350 3.804 20 0 BHADRN Cc1ccccc1[S@@](=O)[C@@H](C)c1ccccc1 ZINC000132462464 371827962 /nfs/dbraw/zinc/82/79/62/371827962.db2.gz OPSNMVGSKYTIAS-SUMWQHHRSA-N 0 0 244.359 3.864 20 0 BHADRN Cc1ccccc1[S@](=O)[C@@H](C)c1ccccc1 ZINC000132462654 371828491 /nfs/dbraw/zinc/82/84/91/371828491.db2.gz OPSNMVGSKYTIAS-GUYCJALGSA-N 0 0 244.359 3.864 20 0 BHADRN Cc1ccccc1[S@@](=O)[C@H](C)c1ccccc1 ZINC000132462859 371828307 /nfs/dbraw/zinc/82/83/07/371828307.db2.gz OPSNMVGSKYTIAS-CXAGYDPISA-N 0 0 244.359 3.864 20 0 BHADRN Cc1ccccc1[S@](=O)[C@H](C)c1ccccc1 ZINC000132463091 343886272 /nfs/dbraw/zinc/88/62/72/343886272.db2.gz OPSNMVGSKYTIAS-DYVFJYSZSA-N 0 0 244.359 3.864 20 0 BHADRN COCCCCNc1cccc(C(F)(F)F)c1 ZINC000132463347 174205330 /nfs/dbraw/zinc/20/53/30/174205330.db2.gz SLWHDGCVJXIARU-UHFFFAOYSA-N 0 0 247.260 3.544 20 0 BHADRN Fc1ccccc1NCc1cnc(Cl)s1 ZINC000132466125 591709812 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SNKUDPUAYAJMSI-UHFFFAOYSA-N 0 0 240.372 3.588 20 0 BHADRN Cc1nc(-c2cccc(NC(C)C)c2)oc1C ZINC000133030509 179866730 /nfs/dbraw/zinc/86/67/30/179866730.db2.gz MALAPKLKBKSMRW-UHFFFAOYSA-N 0 0 230.311 3.779 20 0 BHADRN CC(C)Nc1cccc(OCc2cscn2)c1 ZINC000133044527 325262649 /nfs/dbraw/zinc/26/26/49/325262649.db2.gz QWLCEQLYPQABQN-UHFFFAOYSA-N 0 0 248.351 3.542 20 0 BHADRN CC(C)Nc1ccccc1OCc1cscn1 ZINC000133044730 344696052 /nfs/dbraw/zinc/69/60/52/344696052.db2.gz RPFHDFURTYWMBH-UHFFFAOYSA-N 0 0 248.351 3.542 20 0 BHADRN CCCN(C)C(=O)Nc1c(C)cccc1Cl ZINC000133060332 169057152 /nfs/dbraw/zinc/05/71/52/169057152.db2.gz FVHSMAHZJPDPNK-UHFFFAOYSA-N 0 0 240.734 3.522 20 0 BHADRN CC(C)Nc1cccc(N2CCCCCC2)c1 ZINC000133065181 344700321 /nfs/dbraw/zinc/70/03/21/344700321.db2.gz UGUAXYVCASCDRZ-UHFFFAOYSA-N 0 0 232.371 3.887 20 0 BHADRN CC(C)Nc1cccc(N2CCC(C)CC2)c1 ZINC000133065423 344700224 /nfs/dbraw/zinc/70/02/24/344700224.db2.gz SNXTWESJKMCLDS-UHFFFAOYSA-N 0 0 232.371 3.743 20 0 BHADRN 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ZINC000133092385 325267944 /nfs/dbraw/zinc/26/79/44/325267944.db2.gz VCUSYXQFVHFCOZ-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H](C(=O)N1CCCC[C@H]1CC)C(C)C ZINC000133092606 325267926 /nfs/dbraw/zinc/26/79/26/325267926.db2.gz VCUSYXQFVHFCOZ-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C1CCC1 ZINC000133112273 191036871 /nfs/dbraw/zinc/03/68/71/191036871.db2.gz UDPNNNZVVPSZQW-VIFPVBQESA-N 0 0 241.737 3.757 20 0 BHADRN C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C1CCC1 ZINC000133112459 191036906 /nfs/dbraw/zinc/03/69/06/191036906.db2.gz UDPNNNZVVPSZQW-SECBINFHSA-N 0 0 241.737 3.757 20 0 BHADRN CCC[C@H](C(=O)Nc1ccccc1OC)C(C)C ZINC000133132030 384274224 /nfs/dbraw/zinc/27/42/24/384274224.db2.gz ANWPKYSGMSTCCZ-LBPRGKRZSA-N 0 0 249.354 3.706 20 0 BHADRN CCC[C@@H](C(=O)Nc1ccccc1OC)C(C)C ZINC000133132231 169346247 /nfs/dbraw/zinc/34/62/47/169346247.db2.gz ANWPKYSGMSTCCZ-GFCCVEGCSA-N 0 0 249.354 3.706 20 0 BHADRN CCNc1cccc(COC2CCCCC2)c1 ZINC000133135710 325271052 /nfs/dbraw/zinc/27/10/52/325271052.db2.gz OSGDVWHUIZRVBP-UHFFFAOYSA-N 0 0 233.355 3.968 20 0 BHADRN CC(C)[C@H]1CCCN1C(=S)Nc1ccccc1 ZINC000133137207 711636455 /nfs/dbraw/zinc/63/64/55/711636455.db2.gz ZGHRKZABYNNBMT-CYBMUJFWSA-N 0 0 248.395 3.504 20 0 BHADRN CCSCCOc1cccc2ccccc21 ZINC000133144516 191038073 /nfs/dbraw/zinc/03/80/73/191038073.db2.gz MMYWDIUOQMZMQQ-UHFFFAOYSA-N 0 0 232.348 3.972 20 0 BHADRN CC[C@@H](C)C(=O)CSc1nc2ccccc2o1 ZINC000133144805 358747327 /nfs/dbraw/zinc/74/73/27/358747327.db2.gz VUVYFYVLWWGGIX-SECBINFHSA-N 0 0 249.335 3.535 20 0 BHADRN CC[C@@H](C)Sc1nc2cc(Cl)cnc2[nH]1 ZINC000133144822 325271371 /nfs/dbraw/zinc/27/13/71/325271371.db2.gz MIQAZAAJBKXWDX-ZCFIWIBFSA-N 0 0 241.747 3.502 20 0 BHADRN CC[C@H](C)Sc1nc2cc(Cl)cnc2[nH]1 ZINC000133145008 325271206 /nfs/dbraw/zinc/27/12/06/325271206.db2.gz MIQAZAAJBKXWDX-LURJTMIESA-N 0 0 241.747 3.502 20 0 BHADRN CC[C@H](C)C(=O)CSc1nc2ccccc2o1 ZINC000133145017 358746935 /nfs/dbraw/zinc/74/69/35/358746935.db2.gz 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244.787 3.635 20 0 BHADRN CC[C@@H](C)C[S@](=O)Cc1ccccc1Cl ZINC000133344664 384285749 /nfs/dbraw/zinc/28/57/49/384285749.db2.gz BXKCDVSGMUJZSO-MEBBXXQBSA-N 0 0 244.787 3.635 20 0 BHADRN CC[C@H](C)C[S@](=O)Cc1ccccc1Cl ZINC000133344840 171299864 /nfs/dbraw/zinc/29/98/64/171299864.db2.gz BXKCDVSGMUJZSO-ZUZCIYMTSA-N 0 0 244.787 3.635 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000133348053 325288862 /nfs/dbraw/zinc/28/88/62/325288862.db2.gz WPASJJUQOUNKCT-AWEZNQCLSA-N 0 0 245.366 3.727 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000133348245 325289119 /nfs/dbraw/zinc/28/91/19/325289119.db2.gz WPASJJUQOUNKCT-CQSZACIVSA-N 0 0 245.366 3.727 20 0 BHADRN Clc1cnc(NC2CC=CC2)c(Cl)c1 ZINC000133349740 353413407 /nfs/dbraw/zinc/41/34/07/353413407.db2.gz CWQGHPNRSQMENK-UHFFFAOYSA-N 0 0 229.110 3.519 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000133352032 325289618 /nfs/dbraw/zinc/28/96/18/325289618.db2.gz KDSADPQEOWFRLK-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000133352212 325289527 /nfs/dbraw/zinc/28/95/27/325289527.db2.gz KDSADPQEOWFRLK-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCC[C@H]1C(C)(C)CC ZINC000133352396 325289585 /nfs/dbraw/zinc/28/95/85/325289585.db2.gz KDSADPQEOWFRLK-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N1CCC[C@H]1C(C)(C)CC ZINC000133352624 325289468 /nfs/dbraw/zinc/28/94/68/325289468.db2.gz KDSADPQEOWFRLK-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[S@@](=O)Cc1c(F)cccc1Cl ZINC000133353874 169015967 /nfs/dbraw/zinc/01/59/67/169015967.db2.gz BIIQCCHBJTVKRL-HNNXBMFYSA-N 0 0 248.750 3.528 20 0 BHADRN CCCC[S@](=O)Cc1c(F)cccc1Cl ZINC000133354048 169017065 /nfs/dbraw/zinc/01/70/65/169017065.db2.gz BIIQCCHBJTVKRL-OAHLLOKOSA-N 0 0 248.750 3.528 20 0 BHADRN Cc1nc2ccccn2c1CSCC(C)C ZINC000133356918 358751418 /nfs/dbraw/zinc/75/14/18/358751418.db2.gz WYXGAXOPFJMMEX-UHFFFAOYSA-N 0 0 234.368 3.532 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000133365687 176235311 /nfs/dbraw/zinc/23/53/11/176235311.db2.gz CNCQDFLOJGYIBN-BDAKNGLRSA-N 0 0 244.260 3.701 20 0 BHADRN C[C@H]1CC[C@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000133365919 177205318 /nfs/dbraw/zinc/20/53/18/177205318.db2.gz CNCQDFLOJGYIBN-IUCAKERBSA-N 0 0 244.260 3.701 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000133366131 176214644 /nfs/dbraw/zinc/21/46/44/176214644.db2.gz CNCQDFLOJGYIBN-RKDXNWHRSA-N 0 0 244.260 3.701 20 0 BHADRN C[C@H]1CC[C@@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000133366316 177194541 /nfs/dbraw/zinc/19/45/41/177194541.db2.gz CNCQDFLOJGYIBN-DTWKUNHWSA-N 0 0 244.260 3.701 20 0 BHADRN CCCC[C@@H](CC)C(=O)NCCC1CCC1 ZINC000133377172 591788584 /nfs/dbraw/zinc/78/85/84/591788584.db2.gz QWJBNIAIICYVHO-CYBMUJFWSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC[C@H](CC)C(=O)NCCC1CCC1 ZINC000133377374 591788680 /nfs/dbraw/zinc/78/86/80/591788680.db2.gz QWJBNIAIICYVHO-ZDUSSCGKSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCN(C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000133392805 325293265 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CCc1ccccc1C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000133486742 325296720 /nfs/dbraw/zinc/29/67/20/325296720.db2.gz AOGRFUWSQSITCI-STQMWFEESA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccccc1C(=O)N1C[C@H](C)CC[C@H]1C ZINC000133486905 325296583 /nfs/dbraw/zinc/29/65/83/325296583.db2.gz AOGRFUWSQSITCI-CHWSQXEVSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccccc1C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000133487087 325296898 /nfs/dbraw/zinc/29/68/98/325296898.db2.gz AOGRFUWSQSITCI-QWHCGFSZSA-N 0 0 245.366 3.510 20 0 BHADRN CCC(CC)S[C@@H](C)C(=O)OC(C)(C)C ZINC000133496827 325297408 /nfs/dbraw/zinc/29/74/08/325297408.db2.gz CLSXTJAAWFGTHB-VIFPVBQESA-N 0 0 232.389 3.638 20 0 BHADRN CCC(CC)S[C@H](C)C(=O)OC(C)(C)C ZINC000133497006 325297479 /nfs/dbraw/zinc/29/74/79/325297479.db2.gz CLSXTJAAWFGTHB-SECBINFHSA-N 0 0 232.389 3.638 20 0 BHADRN CCC[C@@H](C)CNc1ccc2c(c1)COC2 ZINC000133523667 591819001 /nfs/dbraw/zinc/81/90/01/591819001.db2.gz ZKSSFMAIVVYQOV-LLVKDONJSA-N 0 0 219.328 3.565 20 0 BHADRN CCC[C@H](C)CNc1ccc2c(c1)COC2 ZINC000133523848 591818906 /nfs/dbraw/zinc/81/89/06/591818906.db2.gz ZKSSFMAIVVYQOV-NSHDSACASA-N 0 0 219.328 3.565 20 0 BHADRN CCc1nc(-c2cc(C)ccc2OC)cs1 ZINC000133551314 200674729 /nfs/dbraw/zinc/67/47/29/200674729.db2.gz FXZILUUAOOZEHK-UHFFFAOYSA-N 0 0 233.336 3.690 20 0 BHADRN CCCC[S@@](=O)Cc1c(C)cc(C)cc1C ZINC000133555432 169015891 /nfs/dbraw/zinc/01/58/91/169015891.db2.gz XMPFVYWEEYVVMZ-INIZCTEOSA-N 0 0 238.396 3.661 20 0 BHADRN CCCC[S@](=O)Cc1c(C)cc(C)cc1C ZINC000133555666 169015935 /nfs/dbraw/zinc/01/59/35/169015935.db2.gz XMPFVYWEEYVVMZ-MRXNPFEDSA-N 0 0 238.396 3.661 20 0 BHADRN CCCCCC(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000133557172 364353085 /nfs/dbraw/zinc/35/30/85/364353085.db2.gz AWOVRLRIPAOADU-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N1CCC[C@H]1C(C)(C)CC ZINC000133557353 364353575 /nfs/dbraw/zinc/35/35/75/364353575.db2.gz AWOVRLRIPAOADU-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CC[C@@H](C)C[S@@](=O)Cc1cc(C)cc(C)c1 ZINC000133564876 384300737 /nfs/dbraw/zinc/30/07/37/384300737.db2.gz PGNJHRYEZLESAT-BZNIZROVSA-N 0 0 238.396 3.598 20 0 BHADRN CC[C@H](C)C[S@@](=O)Cc1cc(C)cc(C)c1 ZINC000133565042 171300015 /nfs/dbraw/zinc/30/00/15/171300015.db2.gz PGNJHRYEZLESAT-ZBEGNZNMSA-N 0 0 238.396 3.598 20 0 BHADRN CC[C@@H](C)C[S@](=O)Cc1cc(C)cc(C)c1 ZINC000133565255 384299753 /nfs/dbraw/zinc/29/97/53/384299753.db2.gz PGNJHRYEZLESAT-BDJLRTHQSA-N 0 0 238.396 3.598 20 0 BHADRN CC[C@H](C)C[S@](=O)Cc1cc(C)cc(C)c1 ZINC000133565438 171299968 /nfs/dbraw/zinc/29/99/68/171299968.db2.gz PGNJHRYEZLESAT-MEDUHNTESA-N 0 0 238.396 3.598 20 0 BHADRN CCNc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000133581706 325302020 /nfs/dbraw/zinc/30/20/20/325302020.db2.gz XXHQBLVEXRACRL-UHFFFAOYSA-N 0 0 242.322 3.923 20 0 BHADRN Cc1cnc(CSc2ccc(C)c(C)c2)o1 ZINC000133591156 384300542 /nfs/dbraw/zinc/30/05/42/384300542.db2.gz YUHBZYQHIKKHEV-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN CC[C@@H](C)CNc1cccc(-c2nccn2C)c1 ZINC000133593446 325302979 /nfs/dbraw/zinc/30/29/79/325302979.db2.gz IEMQCCVGUFDQAD-GFCCVEGCSA-N 0 0 243.354 3.545 20 0 BHADRN CC[C@H](C)CNc1cccc(-c2nccn2C)c1 ZINC000133593590 325302942 /nfs/dbraw/zinc/30/29/42/325302942.db2.gz IEMQCCVGUFDQAD-LBPRGKRZSA-N 0 0 243.354 3.545 20 0 BHADRN CC[C@@H](C)CNc1cccc(-c2noc(C)n2)c1 ZINC000133595888 358760740 /nfs/dbraw/zinc/76/07/40/358760740.db2.gz AWDALDFJGNYAOC-SNVBAGLBSA-N 0 0 245.326 3.503 20 0 BHADRN CC[C@H](C)CNc1cccc(-c2noc(C)n2)c1 ZINC000133596081 358760523 /nfs/dbraw/zinc/76/05/23/358760523.db2.gz AWDALDFJGNYAOC-JTQLQIEISA-N 0 0 245.326 3.503 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(O)c2)C1 ZINC000133596852 325303257 /nfs/dbraw/zinc/30/32/57/325303257.db2.gz IMUICYSAEAOGSF-NEPJUHHUSA-N 0 0 247.338 3.547 20 0 BHADRN C[C@H]1CCC[C@H](CC(=O)Nc2cccc(O)c2)C1 ZINC000133597065 325303004 /nfs/dbraw/zinc/30/30/04/325303004.db2.gz IMUICYSAEAOGSF-RYUDHWBXSA-N 0 0 247.338 3.547 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(O)c2)C1 ZINC000133597289 325302933 /nfs/dbraw/zinc/30/29/33/325302933.db2.gz IMUICYSAEAOGSF-VXGBXAGGSA-N 0 0 247.338 3.547 20 0 BHADRN C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(O)c2)C1 ZINC000133597482 325302997 /nfs/dbraw/zinc/30/29/97/325302997.db2.gz IMUICYSAEAOGSF-NWDGAFQWSA-N 0 0 247.338 3.547 20 0 BHADRN Cc1cnc(CSc2cc(C)ccc2C)o1 ZINC000133599096 384300397 /nfs/dbraw/zinc/30/03/97/384300397.db2.gz ZHPGUMWXHDALPZ-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN Cc1cnc(CSc2ccc(C)cc2C)o1 ZINC000133600848 188156209 /nfs/dbraw/zinc/15/62/09/188156209.db2.gz MNSRUDKPVQRWCQ-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN Cc1cc(C(=O)N(CCC(C)C)C2CC2)oc1C ZINC000133618241 491158365 /nfs/dbraw/zinc/15/83/65/491158365.db2.gz MJWHHQDLSPJPMJ-UHFFFAOYSA-N 0 0 249.354 3.547 20 0 BHADRN Cc1ccccc1OCCSC(C)C ZINC000133620067 191042231 /nfs/dbraw/zinc/04/22/31/191042231.db2.gz IDKLGGIBXVIXTQ-UHFFFAOYSA-N 0 0 210.342 3.515 20 0 BHADRN CC[C@@H](C)CNc1cccc(-c2nnc(C)o2)c1 ZINC000133621290 384304160 /nfs/dbraw/zinc/30/41/60/384304160.db2.gz RJFPAGJTRGQENE-SNVBAGLBSA-N 0 0 245.326 3.503 20 0 BHADRN CC[C@H](C)CNc1cccc(-c2nnc(C)o2)c1 ZINC000133621497 171289611 /nfs/dbraw/zinc/28/96/11/171289611.db2.gz RJFPAGJTRGQENE-JTQLQIEISA-N 0 0 245.326 3.503 20 0 BHADRN CC[C@@H](C)CNc1ccc(-c2nnc(C)o2)cc1 ZINC000133624693 591844177 /nfs/dbraw/zinc/84/41/77/591844177.db2.gz GIWLSYGDJWOHQK-SNVBAGLBSA-N 0 0 245.326 3.503 20 0 BHADRN CC[C@H](C)CNc1ccc(-c2nnc(C)o2)cc1 ZINC000133624898 591843702 /nfs/dbraw/zinc/84/37/02/591843702.db2.gz GIWLSYGDJWOHQK-JTQLQIEISA-N 0 0 245.326 3.503 20 0 BHADRN CC[C@@H](C)CNc1cccc(-c2ncco2)c1 ZINC000133634058 325305451 /nfs/dbraw/zinc/30/54/51/325305451.db2.gz AKTHTGGYIGTBEX-LLVKDONJSA-N 0 0 230.311 3.800 20 0 BHADRN CC[C@H](C)CNc1cccc(-c2ncco2)c1 ZINC000133634253 323019389 /nfs/dbraw/zinc/01/93/89/323019389.db2.gz AKTHTGGYIGTBEX-NSHDSACASA-N 0 0 230.311 3.800 20 0 BHADRN CC(C)SCc1ccc(-n2cccn2)cc1 ZINC000133635498 358762449 /nfs/dbraw/zinc/76/24/49/358762449.db2.gz BAXYQZNDBWEGQA-UHFFFAOYSA-N 0 0 232.352 3.514 20 0 BHADRN CCC(CC)OC(=O)C1CCC(F)(F)CC1 ZINC000133640827 591844239 /nfs/dbraw/zinc/84/42/39/591844239.db2.gz PZLBFFXMIZDMJX-UHFFFAOYSA-N 0 0 234.286 3.544 20 0 BHADRN CC(C)SCc1cc(-c2ccccc2)no1 ZINC000133653334 325306619 /nfs/dbraw/zinc/30/66/19/325306619.db2.gz KVQGYSHLNXHZIJ-UHFFFAOYSA-N 0 0 233.336 3.983 20 0 BHADRN CC[C@@H](C)C[S@@](=O)[C@@H](C)c1ccccc1 ZINC000133655394 398341589 /nfs/dbraw/zinc/34/15/89/398341589.db2.gz HZSUIWJJDSRAKA-XUJVJEKNSA-N 0 0 224.369 3.542 20 0 BHADRN CC[C@H](C)C[S@@](=O)[C@@H](C)c1ccccc1 ZINC000133655592 171300106 /nfs/dbraw/zinc/30/01/06/171300106.db2.gz HZSUIWJJDSRAKA-HUBLWGQQSA-N 0 0 224.369 3.542 20 0 BHADRN CC[C@@H](C)C[S@](=O)[C@@H](C)c1ccccc1 ZINC000133655817 398341639 /nfs/dbraw/zinc/34/16/39/398341639.db2.gz HZSUIWJJDSRAKA-TYNCELHUSA-N 0 0 224.369 3.542 20 0 BHADRN CC[C@H](C)C[S@](=O)[C@@H](C)c1ccccc1 ZINC000133656030 171300082 /nfs/dbraw/zinc/30/00/82/171300082.db2.gz HZSUIWJJDSRAKA-SLEUVZQESA-N 0 0 224.369 3.542 20 0 BHADRN Cc1ccc(-c2noc(CSC(C)C)n2)cc1 ZINC000133657745 325306573 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/nfs/dbraw/zinc/30/74/54/325307454.db2.gz UCKBVIMATAPHPU-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC(=O)Nc1ccccc1OCC1CC1 ZINC000133669732 168627415 /nfs/dbraw/zinc/62/74/15/168627415.db2.gz RXROUPKTRWJQPY-UHFFFAOYSA-N 0 0 247.338 3.604 20 0 BHADRN CCCc1nc(CSC(C)C)cs1 ZINC000133669823 191041329 /nfs/dbraw/zinc/04/13/29/191041329.db2.gz ORCTXUBAPMTZQU-UHFFFAOYSA-N 0 0 215.387 3.737 20 0 BHADRN CCCC[S@@](=O)[C@@H](CC)c1ccc(F)cc1 ZINC000133672367 169015950 /nfs/dbraw/zinc/01/59/50/169015950.db2.gz JRGQGYATRBJALP-BBRMVZONSA-N 0 0 242.359 3.826 20 0 BHADRN CCCC[S@](=O)[C@@H](CC)c1ccc(F)cc1 ZINC000133672561 169017093 /nfs/dbraw/zinc/01/70/93/169017093.db2.gz JRGQGYATRBJALP-XJKSGUPXSA-N 0 0 242.359 3.826 20 0 BHADRN CCCC[S@@](=O)[C@H](CC)c1ccc(F)cc1 ZINC000133672750 169016393 /nfs/dbraw/zinc/01/63/93/169016393.db2.gz JRGQGYATRBJALP-CJNGLKHVSA-N 0 0 242.359 3.826 20 0 BHADRN CCCC[S@](=O)[C@H](CC)c1ccc(F)cc1 ZINC000133672973 169017218 /nfs/dbraw/zinc/01/72/18/169017218.db2.gz JRGQGYATRBJALP-CZUORRHYSA-N 0 0 242.359 3.826 20 0 BHADRN CC[C@@H](C)C[S@@](=O)Cc1c(C)cccc1C ZINC000133677721 384306512 /nfs/dbraw/zinc/30/65/12/384306512.db2.gz URZRRINZVDREMR-BZNIZROVSA-N 0 0 238.396 3.598 20 0 BHADRN CC[C@H](C)C[S@@](=O)Cc1c(C)cccc1C ZINC000133677923 171300424 /nfs/dbraw/zinc/30/04/24/171300424.db2.gz URZRRINZVDREMR-ZBEGNZNMSA-N 0 0 238.396 3.598 20 0 BHADRN CC[C@@H](C)C[S@](=O)Cc1c(C)cccc1C ZINC000133678132 384306180 /nfs/dbraw/zinc/30/61/80/384306180.db2.gz URZRRINZVDREMR-BDJLRTHQSA-N 0 0 238.396 3.598 20 0 BHADRN CC[C@H](C)C[S@](=O)Cc1c(C)cccc1C ZINC000133678305 171300235 /nfs/dbraw/zinc/30/02/35/171300235.db2.gz URZRRINZVDREMR-MEDUHNTESA-N 0 0 238.396 3.598 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000133678583 325308797 /nfs/dbraw/zinc/30/87/97/325308797.db2.gz DKGTWCBPOVLKRB-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000133678790 325308529 /nfs/dbraw/zinc/30/85/29/325308529.db2.gz DKGTWCBPOVLKRB-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H](C)C[S@@](=O)[C@@H](CC)c1ccccc1 ZINC000133686380 170955459 /nfs/dbraw/zinc/95/54/59/170955459.db2.gz JPTOZBDLPMIDJP-INWMFGNUSA-N 0 0 238.396 3.933 20 0 BHADRN CC[C@H](C)C[S@@](=O)[C@@H](CC)c1ccccc1 ZINC000133686603 171300276 /nfs/dbraw/zinc/30/02/76/171300276.db2.gz JPTOZBDLPMIDJP-NOLJZWGESA-N 0 0 238.396 3.933 20 0 BHADRN CC[C@@H](C)C[S@](=O)[C@@H](CC)c1ccccc1 ZINC000133686809 170954773 /nfs/dbraw/zinc/95/47/73/170954773.db2.gz JPTOZBDLPMIDJP-IVMMDQJWSA-N 0 0 238.396 3.933 20 0 BHADRN CC[C@H](C)C[S@](=O)[C@@H](CC)c1ccccc1 ZINC000133687038 171299928 /nfs/dbraw/zinc/29/99/28/171299928.db2.gz JPTOZBDLPMIDJP-DUVNUKRYSA-N 0 0 238.396 3.933 20 0 BHADRN CCCC[S@@](=O)[C@@H](CC)c1ccccc1 ZINC000133687661 169016612 /nfs/dbraw/zinc/01/66/12/169016612.db2.gz GDAVUKLMNUUDCH-ZFWWWQNUSA-N 0 0 224.369 3.687 20 0 BHADRN CCCC[S@](=O)[C@@H](CC)c1ccccc1 ZINC000133687859 169017126 /nfs/dbraw/zinc/01/71/26/169017126.db2.gz GDAVUKLMNUUDCH-DZGCQCFKSA-N 0 0 224.369 3.687 20 0 BHADRN CCCC[S@@](=O)[C@H](CC)c1ccccc1 ZINC000133688045 169016434 /nfs/dbraw/zinc/01/64/34/169016434.db2.gz GDAVUKLMNUUDCH-HIFRSBDPSA-N 0 0 224.369 3.687 20 0 BHADRN CCCC[S@](=O)[C@H](CC)c1ccccc1 ZINC000133688260 169016950 /nfs/dbraw/zinc/01/69/50/169016950.db2.gz GDAVUKLMNUUDCH-UKRRQHHQSA-N 0 0 224.369 3.687 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)c1occc1C ZINC000133689072 325310164 /nfs/dbraw/zinc/31/01/64/325310164.db2.gz FIPWQDONAAUIGP-LBPRGKRZSA-N 0 0 249.354 3.629 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)c1occc1C ZINC000133689289 325310002 /nfs/dbraw/zinc/31/00/02/325310002.db2.gz FIPWQDONAAUIGP-GFCCVEGCSA-N 0 0 249.354 3.629 20 0 BHADRN CC[C@@H](C)C[S@@](=O)[C@@H](C)c1cccc(C)c1 ZINC000133697869 384308247 /nfs/dbraw/zinc/30/82/47/384308247.db2.gz QBLPEYVDKIEASD-FFSVYQOJSA-N 0 0 238.396 3.851 20 0 BHADRN CC[C@H](C)C[S@@](=O)[C@@H](C)c1cccc(C)c1 ZINC000133698041 171300555 /nfs/dbraw/zinc/30/05/55/171300555.db2.gz QBLPEYVDKIEASD-RBOXIYTFSA-N 0 0 238.396 3.851 20 0 BHADRN CC[C@@H](C)C[S@](=O)[C@@H](C)c1cccc(C)c1 ZINC000133698218 384308536 /nfs/dbraw/zinc/30/85/36/384308536.db2.gz QBLPEYVDKIEASD-PVXIVEMSSA-N 0 0 238.396 3.851 20 0 BHADRN CC[C@H](C)C[S@](=O)[C@@H](C)c1cccc(C)c1 ZINC000133698431 171300532 /nfs/dbraw/zinc/30/05/32/171300532.db2.gz QBLPEYVDKIEASD-DETPVDSQSA-N 0 0 238.396 3.851 20 0 BHADRN CCCC[S@@](=O)[C@@H](C)c1cccc(C)c1 ZINC000133698658 169016274 /nfs/dbraw/zinc/01/62/74/169016274.db2.gz HKUGHOPIPUTSLD-WFASDCNBSA-N 0 0 224.369 3.605 20 0 BHADRN CCCC[S@](=O)[C@@H](C)c1cccc(C)c1 ZINC000133698853 169016921 /nfs/dbraw/zinc/01/69/21/169016921.db2.gz HKUGHOPIPUTSLD-SWLSCSKDSA-N 0 0 224.369 3.605 20 0 BHADRN CCCC[S@@](=O)[C@H](C)c1cccc(C)c1 ZINC000133699037 169015857 /nfs/dbraw/zinc/01/58/57/169015857.db2.gz HKUGHOPIPUTSLD-DOMZBBRYSA-N 0 0 224.369 3.605 20 0 BHADRN CCCC[S@](=O)[C@H](C)c1cccc(C)c1 ZINC000133699239 169017260 /nfs/dbraw/zinc/01/72/60/169017260.db2.gz HKUGHOPIPUTSLD-IUODEOHRSA-N 0 0 224.369 3.605 20 0 BHADRN Cc1cccc(-c2noc(CSC(C)C)n2)c1 ZINC000133701510 325310688 /nfs/dbraw/zinc/31/06/88/325310688.db2.gz UWCFFJCNOXBHPS-UHFFFAOYSA-N 0 0 248.351 3.687 20 0 BHADRN CC(C)SCc1cc(-c2ccccc2)on1 ZINC000133701722 325310723 /nfs/dbraw/zinc/31/07/23/325310723.db2.gz YAUDSNWGKGLHIC-UHFFFAOYSA-N 0 0 233.336 3.983 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccoc1C ZINC000133707042 325311311 /nfs/dbraw/zinc/31/13/11/325311311.db2.gz BRZXSNJZRFJKGM-ZDUSSCGKSA-N 0 0 249.354 3.629 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)c1ccoc1C ZINC000133707249 325311482 /nfs/dbraw/zinc/31/14/82/325311482.db2.gz BRZXSNJZRFJKGM-CYBMUJFWSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C)cc1 ZINC000133716315 384306947 /nfs/dbraw/zinc/30/69/47/384306947.db2.gz FRDGNXSWIPAHRQ-STQMWFEESA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cc1 ZINC000133716479 384306833 /nfs/dbraw/zinc/30/68/33/384306833.db2.gz FRDGNXSWIPAHRQ-OLZOCXBDSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C)cc1 ZINC000133716664 384306746 /nfs/dbraw/zinc/30/67/46/384306746.db2.gz FRDGNXSWIPAHRQ-QWHCGFSZSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C)cc1 ZINC000133716842 384306698 /nfs/dbraw/zinc/30/66/98/384306698.db2.gz FRDGNXSWIPAHRQ-CHWSQXEVSA-N 0 0 246.354 3.647 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)NCCC1CCC1 ZINC000133721906 591851770 /nfs/dbraw/zinc/85/17/70/591851770.db2.gz LWJGNAXHIYGFPQ-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)NCCC1CCC1 ZINC000133722104 591851788 /nfs/dbraw/zinc/85/17/88/591851788.db2.gz LWJGNAXHIYGFPQ-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@@H](C)OC(=O)C[C@@H](C)c1ccncc1 ZINC000133723657 591851675 /nfs/dbraw/zinc/85/16/75/591851675.db2.gz GOAINQJRBPOEDT-CHWSQXEVSA-N 0 0 249.354 3.697 20 0 BHADRN CCCC[C@H](C)OC(=O)C[C@@H](C)c1ccncc1 ZINC000133723883 591851719 /nfs/dbraw/zinc/85/17/19/591851719.db2.gz GOAINQJRBPOEDT-OLZOCXBDSA-N 0 0 249.354 3.697 20 0 BHADRN CCCC[C@@H](C)OC(=O)C[C@H](C)c1ccncc1 ZINC000133724118 591851482 /nfs/dbraw/zinc/85/14/82/591851482.db2.gz GOAINQJRBPOEDT-QWHCGFSZSA-N 0 0 249.354 3.697 20 0 BHADRN CCCC[C@H](C)OC(=O)C[C@H](C)c1ccncc1 ZINC000133724322 591851782 /nfs/dbraw/zinc/85/17/82/591851782.db2.gz GOAINQJRBPOEDT-STQMWFEESA-N 0 0 249.354 3.697 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N(C2CC2)C2CCCC2)C1 ZINC000133728211 345385273 /nfs/dbraw/zinc/38/52/73/345385273.db2.gz USLDYEOCJORSFL-OLZOCXBDSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H]1CCC[C@H](C(=O)N(C2CC2)C2CCCC2)C1 ZINC000133728425 372097546 /nfs/dbraw/zinc/09/75/46/372097546.db2.gz USLDYEOCJORSFL-STQMWFEESA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N(C2CC2)C2CCCC2)C1 ZINC000133728653 372096977 /nfs/dbraw/zinc/09/69/77/372096977.db2.gz USLDYEOCJORSFL-CHWSQXEVSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H]1CCC[C@@H](C(=O)N(C2CC2)C2CCCC2)C1 ZINC000133728856 372097655 /nfs/dbraw/zinc/09/76/55/372097655.db2.gz USLDYEOCJORSFL-QWHCGFSZSA-N 0 0 249.398 3.746 20 0 BHADRN CCCC[C@@H](C)OC(=O)CCCc1ccccn1 ZINC000133729036 591851831 /nfs/dbraw/zinc/85/18/31/591851831.db2.gz FAUUPGOGHVVNES-CYBMUJFWSA-N 0 0 249.354 3.526 20 0 BHADRN CCCC[C@H](C)OC(=O)CCCc1ccccn1 ZINC000133729255 591851815 /nfs/dbraw/zinc/85/18/15/591851815.db2.gz FAUUPGOGHVVNES-ZDUSSCGKSA-N 0 0 249.354 3.526 20 0 BHADRN Cc1cccc(NC(=O)N2CC[C@H](C)C[C@@H]2C)c1 ZINC000133734456 179132309 /nfs/dbraw/zinc/13/23/09/179132309.db2.gz WLKSCOGWZZPZBN-STQMWFEESA-N 0 0 246.354 3.647 20 0 BHADRN Cc1cccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)c1 ZINC000133734632 179132256 /nfs/dbraw/zinc/13/22/56/179132256.db2.gz WLKSCOGWZZPZBN-OLZOCXBDSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1cccc(NC(=O)N2CC[C@H](C)C[C@H]2C)c1 ZINC000133734868 179132401 /nfs/dbraw/zinc/13/24/01/179132401.db2.gz WLKSCOGWZZPZBN-QWHCGFSZSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C)c1 ZINC000133735083 179132670 /nfs/dbraw/zinc/13/26/70/179132670.db2.gz WLKSCOGWZZPZBN-CHWSQXEVSA-N 0 0 246.354 3.647 20 0 BHADRN CCNc1ccc(CCC(F)(F)F)cc1 ZINC000133748463 170173786 /nfs/dbraw/zinc/17/37/86/170173786.db2.gz FABKVUZWNRDTCG-UHFFFAOYSA-N 0 0 217.234 3.613 20 0 BHADRN C[C@@H](Cc1ccccc1F)Nc1ccccc1 ZINC000133773977 191043176 /nfs/dbraw/zinc/04/31/76/191043176.db2.gz SSHPUACDENBHOX-LBPRGKRZSA-N 0 0 229.298 3.869 20 0 BHADRN C[C@H](Cc1ccccc1F)Nc1ccccc1 ZINC000133774172 191042932 /nfs/dbraw/zinc/04/29/32/191042932.db2.gz SSHPUACDENBHOX-GFCCVEGCSA-N 0 0 229.298 3.869 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccc(F)cn2)c1 ZINC000133776498 345386696 /nfs/dbraw/zinc/38/66/96/345386696.db2.gz ZQXVIXDDSQBYOA-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccc(F)cn2)c1 ZINC000133776694 358767555 /nfs/dbraw/zinc/76/75/55/358767555.db2.gz ZQXVIXDDSQBYOA-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN CCOc1ccccc1SC(F)(F)F ZINC000133782949 591857655 /nfs/dbraw/zinc/85/76/55/591857655.db2.gz LFQPAEXYVDWIOE-UHFFFAOYSA-N 0 0 222.231 3.697 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(C)o1 ZINC000133787595 325319859 /nfs/dbraw/zinc/31/98/59/325319859.db2.gz LALFSHLNEZZOTH-ZDUSSCGKSA-N 0 0 249.354 3.629 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(C)o1 ZINC000133787768 325320101 /nfs/dbraw/zinc/32/01/01/325320101.db2.gz LALFSHLNEZZOTH-CYBMUJFWSA-N 0 0 249.354 3.629 20 0 BHADRN O=C(CSc1cccs1)C1CCCCC1 ZINC000133798766 191042708 /nfs/dbraw/zinc/04/27/08/191042708.db2.gz OFDPOOWYPSPHOI-UHFFFAOYSA-N 0 0 240.393 3.990 20 0 BHADRN CCC[C@@H](CC)OC(=O)C[C@@H](C)c1ccncc1 ZINC000133800441 591858714 /nfs/dbraw/zinc/85/87/14/591858714.db2.gz YEIFZOWTSSBFNA-TZMCWYRMSA-N 0 0 249.354 3.697 20 0 BHADRN CCC[C@H](CC)OC(=O)C[C@@H](C)c1ccncc1 ZINC000133800672 591859084 /nfs/dbraw/zinc/85/90/84/591859084.db2.gz YEIFZOWTSSBFNA-OCCSQVGLSA-N 0 0 249.354 3.697 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000133801594 325320852 /nfs/dbraw/zinc/32/08/52/325320852.db2.gz NINAYSUJGQNJSB-KBPBESRZSA-N 0 0 249.398 3.770 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000133801806 325320950 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/nfs/dbraw/zinc/69/33/19/134693319.db2.gz CNSJUJGQQLKNAS-SECBINFHSA-N 0 0 234.249 3.533 20 0 BHADRN CCC[C@@H](CC)OC(=O)CCCc1ccccn1 ZINC000133807109 591861110 /nfs/dbraw/zinc/86/11/10/591861110.db2.gz WBHNEAPOUJLRCB-CQSZACIVSA-N 0 0 249.354 3.526 20 0 BHADRN CCC[C@H](CC)OC(=O)CCCc1ccccn1 ZINC000133807354 591861072 /nfs/dbraw/zinc/86/10/72/591861072.db2.gz WBHNEAPOUJLRCB-AWEZNQCLSA-N 0 0 249.354 3.526 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)c1ccc(F)cn1 ZINC000133811440 134693214 /nfs/dbraw/zinc/69/32/14/134693214.db2.gz IPTCUVKKYXDASB-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN CCOCCCOc1ccccc1SCC ZINC000133811571 491160644 /nfs/dbraw/zinc/16/06/44/491160644.db2.gz CDOKUPXCZNYVHL-UHFFFAOYSA-N 0 0 240.368 3.604 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)c1ccc(F)cn1 ZINC000133811643 358770209 /nfs/dbraw/zinc/77/02/09/358770209.db2.gz IPTCUVKKYXDASB-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ccc(F)cn2)cc1 ZINC000133812246 384315262 /nfs/dbraw/zinc/31/52/62/384315262.db2.gz DZNRXVZNPRLREN-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccc(N[C@H](C)c2ccc(F)cn2)cc1 ZINC000133812441 171821637 /nfs/dbraw/zinc/82/16/37/171821637.db2.gz DZNRXVZNPRLREN-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN CCNc1ccccc1CCC(F)(F)F ZINC000133812471 188258726 /nfs/dbraw/zinc/25/87/26/188258726.db2.gz OWTZLMZJKLRUMD-UHFFFAOYSA-N 0 0 217.234 3.613 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccc(F)cn2)cc1F ZINC000133812681 358770257 /nfs/dbraw/zinc/77/02/57/358770257.db2.gz BWPXLYYQXDBQGF-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccc(F)cn2)cc1F ZINC000133812905 358770580 /nfs/dbraw/zinc/77/05/80/358770580.db2.gz BWPXLYYQXDBQGF-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CCc1ccccc1N[C@@H](C)c1ccc(F)cn1 ZINC000133813130 384313460 /nfs/dbraw/zinc/31/34/60/384313460.db2.gz KHGDZLWDTPDHKQ-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccccc1N[C@H](C)c1ccc(F)cn1 ZINC000133813365 171889019 /nfs/dbraw/zinc/88/90/19/171889019.db2.gz KHGDZLWDTPDHKQ-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)c1ccc(F)cn1 ZINC000133814821 134692767 /nfs/dbraw/zinc/69/27/67/134692767.db2.gz XFTQKKRDCLLWMQ-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)c1ccc(F)cn1 ZINC000133815007 358770691 /nfs/dbraw/zinc/77/06/91/358770691.db2.gz XFTQKKRDCLLWMQ-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CCc1cccc(N[C@@H](C)c2ccc(F)cn2)c1 ZINC000133815624 384314232 /nfs/dbraw/zinc/31/42/32/384314232.db2.gz SEJJGYPBWBGBBW-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN CCc1cccc(N[C@H](C)c2ccc(F)cn2)c1 ZINC000133815818 171863897 /nfs/dbraw/zinc/86/38/97/171863897.db2.gz SEJJGYPBWBGBBW-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccc(F)cn2)cc1 ZINC000133819334 358770354 /nfs/dbraw/zinc/77/03/54/358770354.db2.gz MWYAAKCWFJWIHX-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccc(F)cn2)cc1 ZINC000133819529 358770339 /nfs/dbraw/zinc/77/03/39/358770339.db2.gz MWYAAKCWFJWIHX-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN CCSc1ccccc1OCCCSC ZINC000133824274 325322498 /nfs/dbraw/zinc/32/24/98/325322498.db2.gz ZLGNMTLTXXXJLN-UHFFFAOYSA-N 0 0 242.409 3.931 20 0 BHADRN CC(C)(C)CCNc1cccc(C(F)(F)F)n1 ZINC000133836635 325323178 /nfs/dbraw/zinc/32/31/78/325323178.db2.gz TXLPTVUZGJHDPD-UHFFFAOYSA-N 0 0 246.276 3.949 20 0 BHADRN Fc1ccc(OCc2ccc(Cl)s2)cn1 ZINC000133839810 372120994 /nfs/dbraw/zinc/12/09/94/372120994.db2.gz KVLCNLAJIOAYHI-UHFFFAOYSA-N 0 0 243.690 3.515 20 0 BHADRN Cc1cnc(CSc2ccc3c(c2)CCC3)o1 ZINC000133842845 384316151 /nfs/dbraw/zinc/31/61/51/384316151.db2.gz OVBMYPAGNVJSMT-UHFFFAOYSA-N 0 0 245.347 3.764 20 0 BHADRN CCSc1ccccc1OCC1CC1 ZINC000133844136 325323679 /nfs/dbraw/zinc/32/36/79/325323679.db2.gz XONXTRGVSPYZIL-UHFFFAOYSA-N 0 0 208.326 3.587 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)CCC1CC1 ZINC000133849968 325324206 /nfs/dbraw/zinc/32/42/06/325324206.db2.gz HOZUYNNMSIOYKG-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)CCC1CC1 ZINC000133850157 325324360 /nfs/dbraw/zinc/32/43/60/325324360.db2.gz HOZUYNNMSIOYKG-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccc(F)cn2)c(F)c1 ZINC000133854985 134694537 /nfs/dbraw/zinc/69/45/37/134694537.db2.gz TZRWZGQJDXYKGL-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccc(F)cn2)c(F)c1 ZINC000133855199 358770471 /nfs/dbraw/zinc/77/04/71/358770471.db2.gz TZRWZGQJDXYKGL-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)c2ccc(F)cn2)c1 ZINC000133856686 358770324 /nfs/dbraw/zinc/77/03/24/358770324.db2.gz RSPAUCNZWAPGLZ-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)c2ccc(F)cn2)c1 ZINC000133856868 134694772 /nfs/dbraw/zinc/69/47/72/134694772.db2.gz RSPAUCNZWAPGLZ-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN COCCCS[C@@H](C)c1cccs1 ZINC000133857149 584910003 /nfs/dbraw/zinc/91/00/03/584910003.db2.gz BUWGEWAQXLYWFU-VIFPVBQESA-N 0 0 216.371 3.579 20 0 BHADRN C[C@H](SCc1ccon1)c1cccs1 ZINC000133880003 645868039 /nfs/dbraw/zinc/86/80/39/645868039.db2.gz RBMPPCTXXZJYIR-QMMMGPOBSA-N 0 0 225.338 3.731 20 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ZINC000133918945 325329475 /nfs/dbraw/zinc/32/94/75/325329475.db2.gz RCDIHJUVJQTCQS-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCCF)C1 ZINC000133925460 358772322 /nfs/dbraw/zinc/77/23/22/358772322.db2.gz HCMOUDFJPUSJFW-BXUZGUMPSA-N 0 0 239.309 3.568 20 0 BHADRN C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCCF)C1 ZINC000133925688 358772543 /nfs/dbraw/zinc/77/25/43/358772543.db2.gz HCMOUDFJPUSJFW-SMDDNHRTSA-N 0 0 239.309 3.568 20 0 BHADRN C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCCF)C1 ZINC000133925860 358772278 /nfs/dbraw/zinc/77/22/78/358772278.db2.gz HCMOUDFJPUSJFW-RISCZKNCSA-N 0 0 239.309 3.568 20 0 BHADRN C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCCF)C1 ZINC000133926084 358772002 /nfs/dbraw/zinc/77/20/02/358772002.db2.gz HCMOUDFJPUSJFW-FZMZJTMJSA-N 0 0 239.309 3.568 20 0 BHADRN C[C@@H]1CCC[C@H](C)N(C(=O)C2CCCCC2)C1 ZINC000133931747 372134583 /nfs/dbraw/zinc/13/45/83/372134583.db2.gz SCWBRHWSHODBDX-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@H](C)N(C(=O)C2CCCCC2)C1 ZINC000133931907 372134556 /nfs/dbraw/zinc/13/45/56/372134556.db2.gz SCWBRHWSHODBDX-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N(C(=O)C2CCCCC2)C1 ZINC000133932123 372134728 /nfs/dbraw/zinc/13/47/28/372134728.db2.gz SCWBRHWSHODBDX-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](C)CN1C(=O)C1CCCCC1 ZINC000133932328 372134521 /nfs/dbraw/zinc/13/45/21/372134521.db2.gz SCWBRHWSHODBDX-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)(C)c1cc(NCc2cccs2)no1 ZINC000133934018 325331863 /nfs/dbraw/zinc/33/18/63/325331863.db2.gz JELNGFQJRKGJIW-UHFFFAOYSA-N 0 0 236.340 3.646 20 0 BHADRN CC(C)(C)c1cc(NCc2ccsc2)no1 ZINC000133934250 134695926 /nfs/dbraw/zinc/69/59/26/134695926.db2.gz ASAYKRSVMWLYOZ-UHFFFAOYSA-N 0 0 236.340 3.646 20 0 BHADRN Cc1cccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC000133935893 134695638 /nfs/dbraw/zinc/69/56/38/134695638.db2.gz QSMXAGAQTPIEPH-KGLIPLIRSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1cccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000133936074 134695129 /nfs/dbraw/zinc/69/51/29/134695129.db2.gz QSMXAGAQTPIEPH-KBPBESRZSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1cccc(C(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC000133936256 358773023 /nfs/dbraw/zinc/77/30/23/358773023.db2.gz QSMXAGAQTPIEPH-ZIAGYGMSSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1cccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC000133936478 358773194 /nfs/dbraw/zinc/77/31/94/358773194.db2.gz QSMXAGAQTPIEPH-UONOGXRCSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1cnc(CSc2ccc(F)c(F)c2)o1 ZINC000133936565 372136414 /nfs/dbraw/zinc/13/64/14/372136414.db2.gz QINZXZBIDDLUEE-UHFFFAOYSA-N 0 0 241.262 3.554 20 0 BHADRN Cc1ccc(CNc2cnc(Cl)c(C)c2)o1 ZINC000133944485 591870510 /nfs/dbraw/zinc/87/05/10/591870510.db2.gz LHYHLXYIWGIKJH-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1cc(NCc2ccsc2)cnc1Cl ZINC000133944724 591869861 /nfs/dbraw/zinc/86/98/61/591869861.db2.gz AZFHLNHCRYBBBS-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CC(C)c1cc(NCc2ccc(Cl)o2)no1 ZINC000133945197 358773064 /nfs/dbraw/zinc/77/30/64/358773064.db2.gz WERUQMCENHELTG-UHFFFAOYSA-N 0 0 240.690 3.657 20 0 BHADRN Cc1ccsc1CNc1cc(C(C)C)on1 ZINC000133945398 358773082 /nfs/dbraw/zinc/77/30/82/358773082.db2.gz YZFFQLUCIDNKIQ-UHFFFAOYSA-N 0 0 236.340 3.780 20 0 BHADRN Cc1ccc(CNc2cc(C(C)C)on2)s1 ZINC000133946515 358773329 /nfs/dbraw/zinc/77/33/29/358773329.db2.gz OZXYQFUSAJSWJX-UHFFFAOYSA-N 0 0 236.340 3.780 20 0 BHADRN Cc1cnc(CSc2cc(F)ccc2F)o1 ZINC000133952536 372137527 /nfs/dbraw/zinc/13/75/27/372137527.db2.gz HERMIXXLNISECO-UHFFFAOYSA-N 0 0 241.262 3.554 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)c1ccc(F)cn1 ZINC000133984408 134696645 /nfs/dbraw/zinc/69/66/45/134696645.db2.gz YJJNHQWGXJTGAA-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)c1ccc(F)cn1 ZINC000133984519 358775229 /nfs/dbraw/zinc/77/52/29/358775229.db2.gz YJJNHQWGXJTGAA-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CC(C)OCCS[C@@H](C)c1cccs1 ZINC000133984692 591873649 /nfs/dbraw/zinc/87/36/49/591873649.db2.gz VCWDJVJKKFYUPD-JTQLQIEISA-N 0 0 230.398 3.967 20 0 BHADRN CC(C)OCCS[C@H](C)c1cccs1 ZINC000133984903 591873802 /nfs/dbraw/zinc/87/38/02/591873802.db2.gz VCWDJVJKKFYUPD-SNVBAGLBSA-N 0 0 230.398 3.967 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000134005406 325337396 /nfs/dbraw/zinc/33/73/96/325337396.db2.gz GEYIKUHVZSRHKC-KBPBESRZSA-N 0 0 249.398 3.770 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000134005628 325337336 /nfs/dbraw/zinc/33/73/36/325337336.db2.gz GEYIKUHVZSRHKC-UONOGXRCSA-N 0 0 249.398 3.770 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000134005815 325337399 /nfs/dbraw/zinc/33/73/99/325337399.db2.gz GEYIKUHVZSRHKC-KGLIPLIRSA-N 0 0 249.398 3.770 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000134006010 325337315 /nfs/dbraw/zinc/33/73/15/325337315.db2.gz GEYIKUHVZSRHKC-ZIAGYGMSSA-N 0 0 249.398 3.770 20 0 BHADRN Cc1cc(N[C@@H](C)c2ccc(F)cn2)ccc1F ZINC000134018435 358775124 /nfs/dbraw/zinc/77/51/24/358775124.db2.gz FFWCXVUNUKKTMH-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cc(N[C@H](C)c2ccc(F)cn2)ccc1F ZINC000134018651 134699072 /nfs/dbraw/zinc/69/90/72/134699072.db2.gz FFWCXVUNUKKTMH-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CCOc1ccc(N[C@@H](C)C(C)(C)C)cc1 ZINC000134022578 591874472 /nfs/dbraw/zinc/87/44/72/591874472.db2.gz OLVKVUCBBRYPND-NSHDSACASA-N 0 0 221.344 3.932 20 0 BHADRN CCOc1ccc(N[C@H](C)C(C)(C)C)cc1 ZINC000134022786 591874810 /nfs/dbraw/zinc/87/48/10/591874810.db2.gz OLVKVUCBBRYPND-LLVKDONJSA-N 0 0 221.344 3.932 20 0 BHADRN CCC[C@@H](CC)Nc1ccccc1OC ZINC000134040530 325339441 /nfs/dbraw/zinc/33/94/41/325339441.db2.gz LEPXDTYVRCAFBM-LLVKDONJSA-N 0 0 207.317 3.686 20 0 BHADRN C[C@H]1OCC[C@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000134040737 490184647 /nfs/dbraw/zinc/18/46/47/490184647.db2.gz YLPTYDWQVFOGNZ-BXUZGUMPSA-N 0 0 233.355 3.573 20 0 BHADRN CCC[C@H](CC)Nc1ccccc1OC ZINC000134040759 325339743 /nfs/dbraw/zinc/33/97/43/325339743.db2.gz LEPXDTYVRCAFBM-NSHDSACASA-N 0 0 207.317 3.686 20 0 BHADRN C[C@@H]1OCC[C@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000134040958 325339733 /nfs/dbraw/zinc/33/97/33/325339733.db2.gz YLPTYDWQVFOGNZ-SMDDNHRTSA-N 0 0 233.355 3.573 20 0 BHADRN C[C@H]1OCC[C@@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000134041166 325339647 /nfs/dbraw/zinc/33/96/47/325339647.db2.gz YLPTYDWQVFOGNZ-RISCZKNCSA-N 0 0 233.355 3.573 20 0 BHADRN C[C@@H]1OCC[C@@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000134041363 490184622 /nfs/dbraw/zinc/18/46/22/490184622.db2.gz YLPTYDWQVFOGNZ-FZMZJTMJSA-N 0 0 233.355 3.573 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc(F)c1C ZINC000134046759 325339409 /nfs/dbraw/zinc/33/94/09/325339409.db2.gz NIHHRDGOQNGTMP-QMTHXVAHSA-N 0 0 235.302 3.509 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(F)c1C ZINC000134046978 325339688 /nfs/dbraw/zinc/33/96/88/325339688.db2.gz NIHHRDGOQNGTMP-YGRLFVJLSA-N 0 0 235.302 3.509 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1cccc(F)c1C ZINC000134047174 325339322 /nfs/dbraw/zinc/33/93/22/325339322.db2.gz NIHHRDGOQNGTMP-IINYFYTJSA-N 0 0 235.302 3.509 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc(F)c1C ZINC000134047376 323186284 /nfs/dbraw/zinc/18/62/84/323186284.db2.gz NIHHRDGOQNGTMP-HZMBPMFUSA-N 0 0 235.302 3.509 20 0 BHADRN CCCC[C@@H](COC)Nc1ccccc1C ZINC000134049981 325340334 /nfs/dbraw/zinc/34/03/34/325340334.db2.gz JODITGLSESMLAT-ZDUSSCGKSA-N 0 0 221.344 3.612 20 0 BHADRN CCCC[C@H](COC)Nc1ccccc1C ZINC000134050192 325340101 /nfs/dbraw/zinc/34/01/01/325340101.db2.gz JODITGLSESMLAT-CYBMUJFWSA-N 0 0 221.344 3.612 20 0 BHADRN CC[C@H](OC(=O)Cc1ccoc1)c1ccccc1 ZINC000134052968 591877217 /nfs/dbraw/zinc/87/72/17/591877217.db2.gz DMRQGEYOTYNHLR-AWEZNQCLSA-N 0 0 244.290 3.517 20 0 BHADRN CC[C@@H](OC(=O)Cc1ccoc1)c1ccccc1 ZINC000134053179 591877368 /nfs/dbraw/zinc/87/73/68/591877368.db2.gz DMRQGEYOTYNHLR-CQSZACIVSA-N 0 0 244.290 3.517 20 0 BHADRN Cc1ccccc1C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000134064407 358778178 /nfs/dbraw/zinc/77/81/78/358778178.db2.gz TVBLQZIIZSRNOV-OCCSQVGLSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1ccccc1C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000134064600 358778190 /nfs/dbraw/zinc/77/81/90/358778190.db2.gz TVBLQZIIZSRNOV-JSGCOSHPSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1ccccc1C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000134064729 358778315 /nfs/dbraw/zinc/77/83/15/358778315.db2.gz TVBLQZIIZSRNOV-TZMCWYRMSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1ccccc1C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000134064926 358778379 /nfs/dbraw/zinc/77/83/79/358778379.db2.gz TVBLQZIIZSRNOV-GXTWGEPZSA-N 0 0 245.366 3.646 20 0 BHADRN Cc1ccnc(N[C@@H](C)CSC(C)(C)C)c1 ZINC000134071094 591880897 /nfs/dbraw/zinc/88/08/97/591880897.db2.gz HQUMFIFTTDUZKW-NSHDSACASA-N 0 0 238.400 3.722 20 0 BHADRN Cc1ccnc(N[C@H](C)CSC(C)(C)C)c1 ZINC000134071307 591880927 /nfs/dbraw/zinc/88/09/27/591880927.db2.gz HQUMFIFTTDUZKW-LLVKDONJSA-N 0 0 238.400 3.722 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1cc(C)ccn1 ZINC000134073608 325341307 /nfs/dbraw/zinc/34/13/07/325341307.db2.gz RRRKYYTZKFADFQ-ZDUSSCGKSA-N 0 0 218.344 3.937 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1cc(C)ccn1 ZINC000134073811 325341574 /nfs/dbraw/zinc/34/15/74/325341574.db2.gz RRRKYYTZKFADFQ-CYBMUJFWSA-N 0 0 218.344 3.937 20 0 BHADRN Cc1ccsc1[C@H](C)Nc1cc(C)ccn1 ZINC000134074425 384331271 /nfs/dbraw/zinc/33/12/71/384331271.db2.gz CZDPSVJAEAJYBA-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccsc1[C@@H](C)Nc1cc(C)ccn1 ZINC000134074654 384331597 /nfs/dbraw/zinc/33/15/97/384331597.db2.gz CZDPSVJAEAJYBA-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN CC(C)c1ccc(SCC[C@@H](C)O)cc1 ZINC000134074672 325341338 /nfs/dbraw/zinc/34/13/38/325341338.db2.gz CKCCLSFRNZYSBJ-LLVKDONJSA-N 0 0 224.369 3.673 20 0 BHADRN CC(C)c1ccc(SCC[C@H](C)O)cc1 ZINC000134074868 325341260 /nfs/dbraw/zinc/34/12/60/325341260.db2.gz CKCCLSFRNZYSBJ-NSHDSACASA-N 0 0 224.369 3.673 20 0 BHADRN CCCCC(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000134079162 323021688 /nfs/dbraw/zinc/02/16/88/323021688.db2.gz VBSZZJJBMOGGGB-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC(=O)N1CCC[C@H]1C(C)(C)CC ZINC000134079341 325341978 /nfs/dbraw/zinc/34/19/78/325341978.db2.gz VBSZZJJBMOGGGB-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCC1(C(=O)NCC2(CC(C)C)CC2)CCC1 ZINC000134081371 358779140 /nfs/dbraw/zinc/77/91/40/358779140.db2.gz JDSVHZKSHVZERQ-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000134082225 325342231 /nfs/dbraw/zinc/34/22/31/325342231.db2.gz WRBXGHIYYLTZEE-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000134082440 325342127 /nfs/dbraw/zinc/34/21/27/325342127.db2.gz WRBXGHIYYLTZEE-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000134083037 358778802 /nfs/dbraw/zinc/77/88/02/358778802.db2.gz RICWIKPMTGPZAR-AGIUHOORSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000134083235 358779069 /nfs/dbraw/zinc/77/90/69/358779069.db2.gz RICWIKPMTGPZAR-AVGNSLFASA-N 0 0 249.354 3.625 20 0 BHADRN C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000134083411 134701762 /nfs/dbraw/zinc/70/17/62/134701762.db2.gz RICWIKPMTGPZAR-FRRDWIJNSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000134083615 358779265 /nfs/dbraw/zinc/77/92/65/358779265.db2.gz RICWIKPMTGPZAR-RWMBFGLXSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@H](O)CCSc1ccc2ccccc2c1 ZINC000134084362 325342205 /nfs/dbraw/zinc/34/22/05/325342205.db2.gz BOSUPUQMWKJQOR-NSHDSACASA-N 0 0 232.348 3.703 20 0 BHADRN C[C@@H](O)CCSc1ccc2ccccc2c1 ZINC000134084579 325342268 /nfs/dbraw/zinc/34/22/68/325342268.db2.gz BOSUPUQMWKJQOR-LLVKDONJSA-N 0 0 232.348 3.703 20 0 BHADRN Cc1ncc([C@H](C)Nc2cccc(C)c2)s1 ZINC000134087622 491161938 /nfs/dbraw/zinc/16/19/38/491161938.db2.gz CVFAOOMOGNANNQ-JTQLQIEISA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ncc([C@@H](C)Nc2cccc(C)c2)s1 ZINC000134087799 491161941 /nfs/dbraw/zinc/16/19/41/491161941.db2.gz CVFAOOMOGNANNQ-SNVBAGLBSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cccc(N[C@H](C(C)C)C2CC2)c1 ZINC000134090517 343186611 /nfs/dbraw/zinc/18/66/11/343186611.db2.gz WBNNGDXUGSRDJU-CQSZACIVSA-N 0 0 203.329 3.842 20 0 BHADRN Cc1cccc(N[C@@H](C(C)C)C2CC2)c1 ZINC000134090776 343186934 /nfs/dbraw/zinc/18/69/34/343186934.db2.gz WBNNGDXUGSRDJU-AWEZNQCLSA-N 0 0 203.329 3.842 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)c2ccc(F)cn2)c1 ZINC000134091722 358778739 /nfs/dbraw/zinc/77/87/39/358778739.db2.gz ADKSPEJWMFMBPX-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)c2ccc(F)cn2)c1 ZINC000134091931 358778883 /nfs/dbraw/zinc/77/88/83/358778883.db2.gz ADKSPEJWMFMBPX-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CCCC[C@@H](COC)Nc1cccc(C)c1 ZINC000134094404 325342727 /nfs/dbraw/zinc/34/27/27/325342727.db2.gz IUZCCKQSXLCETD-AWEZNQCLSA-N 0 0 221.344 3.612 20 0 BHADRN CCCC[C@H](COC)Nc1cccc(C)c1 ZINC000134094607 325342785 /nfs/dbraw/zinc/34/27/85/325342785.db2.gz IUZCCKQSXLCETD-CQSZACIVSA-N 0 0 221.344 3.612 20 0 BHADRN CCC[C@@H](CC)Nc1cccc(OC)c1 ZINC000134095784 325342501 /nfs/dbraw/zinc/34/25/01/325342501.db2.gz VOZAOFRIDNHOCE-LLVKDONJSA-N 0 0 207.317 3.686 20 0 BHADRN CCC[C@H](CC)Nc1cccc(OC)c1 ZINC000134095971 325342823 /nfs/dbraw/zinc/34/28/23/325342823.db2.gz VOZAOFRIDNHOCE-NSHDSACASA-N 0 0 207.317 3.686 20 0 BHADRN COc1cccc(N[C@@H](C)C(C)(C)C)c1 ZINC000134096741 325342721 /nfs/dbraw/zinc/34/27/21/325342721.db2.gz QVHIEOFHPFGKKI-JTQLQIEISA-N 0 0 207.317 3.542 20 0 BHADRN COc1cccc(N[C@H](C)C(C)(C)C)c1 ZINC000134096939 325342767 /nfs/dbraw/zinc/34/27/67/325342767.db2.gz QVHIEOFHPFGKKI-SNVBAGLBSA-N 0 0 207.317 3.542 20 0 BHADRN COc1cccc(N[C@@H](C(C)C)C2CC2)c1 ZINC000134097173 325342723 /nfs/dbraw/zinc/34/27/23/325342723.db2.gz JNQUNKTVPWXBDV-AWEZNQCLSA-N 0 0 219.328 3.542 20 0 BHADRN COc1cccc(N[C@H](C(C)C)C2CC2)c1 ZINC000134097356 325342731 /nfs/dbraw/zinc/34/27/31/325342731.db2.gz JNQUNKTVPWXBDV-CQSZACIVSA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1ccc(SCc2ncc(C)o2)cc1 ZINC000134100193 591887185 /nfs/dbraw/zinc/88/71/85/591887185.db2.gz PKBOKPHIHAGEIM-UHFFFAOYSA-N 0 0 249.335 3.674 20 0 BHADRN Cc1ncc([C@@H](C)Nc2ccc(F)cc2)s1 ZINC000134100818 491162022 /nfs/dbraw/zinc/16/20/22/491162022.db2.gz PTYPKNMDWWPHOR-MRVPVSSYSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ncc([C@H](C)Nc2ccc(F)cc2)s1 ZINC000134101008 491162021 /nfs/dbraw/zinc/16/20/21/491162021.db2.gz PTYPKNMDWWPHOR-QMMMGPOBSA-N 0 0 236.315 3.764 20 0 BHADRN CC(C)[C@H](Nc1ccc(F)cc1)C1CC1 ZINC000134104247 325343163 /nfs/dbraw/zinc/34/31/63/325343163.db2.gz QQDZZQOOTQMJNQ-ZDUSSCGKSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@@H](Nc1ccc(F)cc1)C1CC1 ZINC000134104483 325343275 /nfs/dbraw/zinc/34/32/75/325343275.db2.gz QQDZZQOOTQMJNQ-CYBMUJFWSA-N 0 0 207.292 3.672 20 0 BHADRN Clc1ccc(OC/C=C/c2ccccc2)cn1 ZINC000134105410 591886819 /nfs/dbraw/zinc/88/68/19/591886819.db2.gz MXKRHMWHJMWDSD-QPJJXVBHSA-N 0 0 245.709 3.827 20 0 BHADRN Cc1ncc([C@H](C)Nc2ccc(C)cc2)s1 ZINC000134110693 491162027 /nfs/dbraw/zinc/16/20/27/491162027.db2.gz JGNHZOHNVGZWID-JTQLQIEISA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ncc([C@@H](C)Nc2ccc(C)cc2)s1 ZINC000134110897 491162008 /nfs/dbraw/zinc/16/20/08/491162008.db2.gz JGNHZOHNVGZWID-SNVBAGLBSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(N[C@H](C(C)C)C2CC2)cc1 ZINC000134113660 325343569 /nfs/dbraw/zinc/34/35/69/325343569.db2.gz PYUJNIFOOBLNDP-CQSZACIVSA-N 0 0 203.329 3.842 20 0 BHADRN Cc1ccc(N[C@@H](C(C)C)C2CC2)cc1 ZINC000134113859 325343671 /nfs/dbraw/zinc/34/36/71/325343671.db2.gz PYUJNIFOOBLNDP-AWEZNQCLSA-N 0 0 203.329 3.842 20 0 BHADRN CCCC[C@@H](COC)Nc1ccc(C)cc1 ZINC000134117280 325344226 /nfs/dbraw/zinc/34/42/26/325344226.db2.gz BVKWMYZBJFPLCE-AWEZNQCLSA-N 0 0 221.344 3.612 20 0 BHADRN CCCC[C@H](COC)Nc1ccc(C)cc1 ZINC000134117468 325344427 /nfs/dbraw/zinc/34/44/27/325344427.db2.gz BVKWMYZBJFPLCE-CQSZACIVSA-N 0 0 221.344 3.612 20 0 BHADRN CCC[C@H](CC)Nc1ccc(OC)cc1 ZINC000134118817 591888148 /nfs/dbraw/zinc/88/81/48/591888148.db2.gz PWWAPCWRGJPZFD-NSHDSACASA-N 0 0 207.317 3.686 20 0 BHADRN CC(C)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000134118927 325344346 /nfs/dbraw/zinc/34/43/46/325344346.db2.gz SPJIBOCBEVTHGR-CYBMUJFWSA-N 0 0 247.382 3.513 20 0 BHADRN CC(C)C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000134119142 325344213 /nfs/dbraw/zinc/34/42/13/325344213.db2.gz SPJIBOCBEVTHGR-ZDUSSCGKSA-N 0 0 247.382 3.513 20 0 BHADRN Cc1ncc([C@@H](C)Nc2cccc(F)c2)s1 ZINC000134123201 491162109 /nfs/dbraw/zinc/16/21/09/491162109.db2.gz VRKVKXDOSZGWSC-MRVPVSSYSA-N 0 0 236.315 3.764 20 0 BHADRN Clc1ccc(OCCCc2ccccc2)cn1 ZINC000134123369 591891175 /nfs/dbraw/zinc/89/11/75/591891175.db2.gz FKQBERRJWZDOHT-UHFFFAOYSA-N 0 0 247.725 3.747 20 0 BHADRN Cc1ncc([C@H](C)Nc2cccc(F)c2)s1 ZINC000134123386 491162110 /nfs/dbraw/zinc/16/21/10/491162110.db2.gz VRKVKXDOSZGWSC-QMMMGPOBSA-N 0 0 236.315 3.764 20 0 BHADRN CCCC(CCC)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000134130467 325345291 /nfs/dbraw/zinc/34/52/91/325345291.db2.gz YRCDDTXBATVSFX-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CCN(C(=O)[C@@H]1CCC[C@H](C)C1)C1CCCC1 ZINC000134136113 345552083 /nfs/dbraw/zinc/55/20/83/345552083.db2.gz NUWIFRSJOVVNPK-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)[C@H]1CCC[C@H](C)C1)C1CCCC1 ZINC000134136333 345552001 /nfs/dbraw/zinc/55/20/01/345552001.db2.gz NUWIFRSJOVVNPK-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000134136505 345551993 /nfs/dbraw/zinc/55/19/93/345551993.db2.gz NUWIFRSJOVVNPK-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)[C@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000134136700 345552169 /nfs/dbraw/zinc/55/21/69/345552169.db2.gz NUWIFRSJOVVNPK-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1ccccn1 ZINC000134142415 325346035 /nfs/dbraw/zinc/34/60/35/325346035.db2.gz ABNMTQOEVPJQCE-LBPRGKRZSA-N 0 0 204.317 3.628 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1ccccn1 ZINC000134142567 325345675 /nfs/dbraw/zinc/34/56/75/325345675.db2.gz ABNMTQOEVPJQCE-GFCCVEGCSA-N 0 0 204.317 3.628 20 0 BHADRN CCSCC[C@@H](C)Nc1cccc(Cl)n1 ZINC000134143900 591893291 /nfs/dbraw/zinc/89/32/91/591893291.db2.gz KBSAQJICAYCFQF-SECBINFHSA-N 0 0 244.791 3.679 20 0 BHADRN CCSCC[C@H](C)Nc1cccc(Cl)n1 ZINC000134144123 591893524 /nfs/dbraw/zinc/89/35/24/591893524.db2.gz KBSAQJICAYCFQF-VIFPVBQESA-N 0 0 244.791 3.679 20 0 BHADRN CCCC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000134157528 325346012 /nfs/dbraw/zinc/34/60/12/325346012.db2.gz LJIWKTTXHSHHFQ-ZDUSSCGKSA-N 0 0 247.382 3.657 20 0 BHADRN CCCC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000134157711 325345850 /nfs/dbraw/zinc/34/58/50/325345850.db2.gz LJIWKTTXHSHHFQ-CYBMUJFWSA-N 0 0 247.382 3.657 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1cccc(C)n1 ZINC000134164951 325346536 /nfs/dbraw/zinc/34/65/36/325346536.db2.gz XRIGBRAIOMMPCI-LBPRGKRZSA-N 0 0 218.344 3.937 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1cccc(C)n1 ZINC000134165134 325346164 /nfs/dbraw/zinc/34/61/64/325346164.db2.gz XRIGBRAIOMMPCI-GFCCVEGCSA-N 0 0 218.344 3.937 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1ccc(C)cn1 ZINC000134178496 325347333 /nfs/dbraw/zinc/34/73/33/325347333.db2.gz XSQFDGQVFNUVTH-ZDUSSCGKSA-N 0 0 218.344 3.937 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1ccc(C)cn1 ZINC000134178680 325347230 /nfs/dbraw/zinc/34/72/30/325347230.db2.gz XSQFDGQVFNUVTH-CYBMUJFWSA-N 0 0 218.344 3.937 20 0 BHADRN CCC[C@@H](CC)Nc1ccc(OC)c(F)c1 ZINC000134189875 591899277 /nfs/dbraw/zinc/89/92/77/591899277.db2.gz JFELLLKYDOYMEK-SNVBAGLBSA-N 0 0 225.307 3.825 20 0 BHADRN CCC[C@H](CC)Nc1ccc(OC)c(F)c1 ZINC000134190051 591899794 /nfs/dbraw/zinc/89/97/94/591899794.db2.gz JFELLLKYDOYMEK-JTQLQIEISA-N 0 0 225.307 3.825 20 0 BHADRN COc1ccc(N[C@@H](C)C(C)(C)C)cc1F ZINC000134190281 591899039 /nfs/dbraw/zinc/89/90/39/591899039.db2.gz AXRBUSJYTSTRJI-VIFPVBQESA-N 0 0 225.307 3.681 20 0 BHADRN COc1ccc(N[C@H](C)C(C)(C)C)cc1F ZINC000134190483 591899764 /nfs/dbraw/zinc/89/97/64/591899764.db2.gz AXRBUSJYTSTRJI-SECBINFHSA-N 0 0 225.307 3.681 20 0 BHADRN CCOc1cccc(N[C@@H](C)C(C)(C)C)c1 ZINC000134191126 325348315 /nfs/dbraw/zinc/34/83/15/325348315.db2.gz YHHAMTLRPAGZMV-NSHDSACASA-N 0 0 221.344 3.932 20 0 BHADRN CCOc1cccc(N[C@H](C)C(C)(C)C)c1 ZINC000134191325 325348192 /nfs/dbraw/zinc/34/81/92/325348192.db2.gz YHHAMTLRPAGZMV-LLVKDONJSA-N 0 0 221.344 3.932 20 0 BHADRN COCc1cccc(N[C@@H](C)C(C)(C)C)c1 ZINC000134192525 325348321 /nfs/dbraw/zinc/34/83/21/325348321.db2.gz UHUVOQHEFPAJMM-NSHDSACASA-N 0 0 221.344 3.680 20 0 BHADRN COCc1cccc(N[C@H](C)C(C)(C)C)c1 ZINC000134192750 325348205 /nfs/dbraw/zinc/34/82/05/325348205.db2.gz UHUVOQHEFPAJMM-LLVKDONJSA-N 0 0 221.344 3.680 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)C1CCOCC1 ZINC000134201396 325348600 /nfs/dbraw/zinc/34/86/00/325348600.db2.gz WCXCXAKSWUCUQI-JTQLQIEISA-N 0 0 239.746 3.567 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)C1CCOCC1 ZINC000134201519 325348439 /nfs/dbraw/zinc/34/84/39/325348439.db2.gz WCXCXAKSWUCUQI-SNVBAGLBSA-N 0 0 239.746 3.567 20 0 BHADRN CC[C@H](Nc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000134201642 325348429 /nfs/dbraw/zinc/34/84/29/325348429.db2.gz WUVASMBCTMRTFK-MFKMUULPSA-N 0 0 239.746 3.567 20 0 BHADRN CC[C@@H](Nc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000134201758 325348589 /nfs/dbraw/zinc/34/85/89/325348589.db2.gz WUVASMBCTMRTFK-ZWNOBZJWSA-N 0 0 239.746 3.567 20 0 BHADRN CC[C@H](Nc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000134201850 325348441 /nfs/dbraw/zinc/34/84/41/325348441.db2.gz WUVASMBCTMRTFK-GWCFXTLKSA-N 0 0 239.746 3.567 20 0 BHADRN CC[C@@H](Nc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000134201960 325348699 /nfs/dbraw/zinc/34/86/99/325348699.db2.gz WUVASMBCTMRTFK-GXFFZTMASA-N 0 0 239.746 3.567 20 0 BHADRN Cc1cc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c(C)o1 ZINC000134203881 358782904 /nfs/dbraw/zinc/78/29/04/358782904.db2.gz CWIJQTVPAPLHME-MNOVXSKESA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c(C)o1 ZINC000134203993 358782997 /nfs/dbraw/zinc/78/29/97/358782997.db2.gz CWIJQTVPAPLHME-QWRGUYRKSA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)c(C)o1 ZINC000134204100 358782911 /nfs/dbraw/zinc/78/29/11/358782911.db2.gz CWIJQTVPAPLHME-GHMZBOCLSA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c(C)o1 ZINC000134204233 358782970 /nfs/dbraw/zinc/78/29/70/358782970.db2.gz CWIJQTVPAPLHME-WDEREUQCSA-N 0 0 249.354 3.547 20 0 BHADRN C[C@@H]1CCC[C@H](C)N(C(=O)CC2=CCCCC2)C1 ZINC000134213832 325348891 /nfs/dbraw/zinc/34/88/91/325348891.db2.gz VBKCWQRWNGJTJQ-KGLIPLIRSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@H]1CCC[C@H](C)N(C(=O)CC2=CCCCC2)C1 ZINC000134213936 325348861 /nfs/dbraw/zinc/34/88/61/325348861.db2.gz VBKCWQRWNGJTJQ-KBPBESRZSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N(C(=O)CC2=CCCCC2)C1 ZINC000134214043 325348876 /nfs/dbraw/zinc/34/88/76/325348876.db2.gz VBKCWQRWNGJTJQ-ZIAGYGMSSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@@H]1CCC[C@H](C)CN1C(=O)CC1=CCCCC1 ZINC000134214167 325348884 /nfs/dbraw/zinc/34/88/84/325348884.db2.gz VBKCWQRWNGJTJQ-UONOGXRCSA-N 0 0 249.398 3.914 20 0 BHADRN Cc1cccc([C@@H](C)N[C@@H](C)c2nccs2)c1 ZINC000134218467 358783812 /nfs/dbraw/zinc/78/38/12/358783812.db2.gz OFWSFPFNZMXYLW-NEPJUHHUSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1cccc([C@H](C)N[C@@H](C)c2nccs2)c1 ZINC000134218489 134704531 /nfs/dbraw/zinc/70/45/31/134704531.db2.gz OFWSFPFNZMXYLW-RYUDHWBXSA-N 0 0 246.379 3.863 20 0 BHADRN C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(F)n2)o1 ZINC000134222541 591903565 /nfs/dbraw/zinc/90/35/65/591903565.db2.gz UUDHYCHIMRPXPN-KOLCDFICSA-N 0 0 246.285 3.549 20 0 BHADRN C[C@H]1C[C@@H]1c1ccc(CNc2cccc(F)n2)o1 ZINC000134222563 591903509 /nfs/dbraw/zinc/90/35/09/591903509.db2.gz UUDHYCHIMRPXPN-ONGXEEELSA-N 0 0 246.285 3.549 20 0 BHADRN C[C@@H]1C[C@H]1c1ccc(CNc2cccc(F)n2)o1 ZINC000134222585 591903099 /nfs/dbraw/zinc/90/30/99/591903099.db2.gz UUDHYCHIMRPXPN-MWLCHTKSSA-N 0 0 246.285 3.549 20 0 BHADRN C[C@H]1C[C@H]1c1ccc(CNc2cccc(F)n2)o1 ZINC000134222601 591903287 /nfs/dbraw/zinc/90/32/87/591903287.db2.gz UUDHYCHIMRPXPN-GXSJLCMTSA-N 0 0 246.285 3.549 20 0 BHADRN CCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223181 364394324 /nfs/dbraw/zinc/39/43/24/364394324.db2.gz WTLYFCQEWOUNII-UHFFFAOYSA-N 0 0 223.703 3.586 20 0 BHADRN CC(C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000134223325 364394802 /nfs/dbraw/zinc/39/48/02/364394802.db2.gz NBSPHRAOYPIWDM-UHFFFAOYSA-N 0 0 223.703 3.584 20 0 BHADRN Fc1cc(OC/C=C/Cl)ccc1Cl ZINC000134226809 591903296 /nfs/dbraw/zinc/90/32/96/591903296.db2.gz NVWGVSSFJZKSSP-DAFODLJHSA-N 0 0 221.058 3.610 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000134262023 325351197 /nfs/dbraw/zinc/35/11/97/325351197.db2.gz QYEPWFSQIPYKST-UKRRQHHQSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000134262042 325351121 /nfs/dbraw/zinc/35/11/21/325351121.db2.gz QYEPWFSQIPYKST-HIFRSBDPSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000134262061 325350929 /nfs/dbraw/zinc/35/09/29/325350929.db2.gz QYEPWFSQIPYKST-DZGCQCFKSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000134262081 325351142 /nfs/dbraw/zinc/35/11/42/325351142.db2.gz QYEPWFSQIPYKST-ZFWWWQNUSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@H](CC)C1)C(C)C ZINC000134263926 325351200 /nfs/dbraw/zinc/35/12/00/325351200.db2.gz SVJAVHURWUFZOQ-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H](C(=O)N1CCC[C@H](CC)C1)C(C)C ZINC000134263945 325351647 /nfs/dbraw/zinc/35/16/47/325351647.db2.gz SVJAVHURWUFZOQ-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@@H](CC)C1)C(C)C ZINC000134263958 323022698 /nfs/dbraw/zinc/02/26/98/323022698.db2.gz SVJAVHURWUFZOQ-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H](C(=O)N1CCC[C@@H](CC)C1)C(C)C ZINC000134263979 325351543 /nfs/dbraw/zinc/35/15/43/325351543.db2.gz SVJAVHURWUFZOQ-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN CCOCc1ccc(N[C@@H](C)C(C)C)cc1 ZINC000134267559 325351504 /nfs/dbraw/zinc/35/15/04/325351504.db2.gz VTOAMGDYVJRMLC-LBPRGKRZSA-N 0 0 221.344 3.680 20 0 BHADRN CCOCc1ccc(N[C@H](C)C(C)C)cc1 ZINC000134267581 325351487 /nfs/dbraw/zinc/35/14/87/325351487.db2.gz VTOAMGDYVJRMLC-GFCCVEGCSA-N 0 0 221.344 3.680 20 0 BHADRN CC1(C)CCN(C(=S)Nc2ccccc2)CC1 ZINC000134270783 591907556 /nfs/dbraw/zinc/90/75/56/591907556.db2.gz OICZZTOBWUTMHA-UHFFFAOYSA-N 0 0 248.395 3.505 20 0 BHADRN CCc1noc(C)c1COc1ccc(F)c(C)c1 ZINC000134280585 325352325 /nfs/dbraw/zinc/35/23/25/325352325.db2.gz VIVYWSMPKBXYIE-UHFFFAOYSA-N 0 0 249.285 3.572 20 0 BHADRN CCOc1ccccc1[C@@H](C)NCc1ccoc1 ZINC000134288327 535541195 /nfs/dbraw/zinc/54/11/95/535541195.db2.gz MOOXLJGJBMLITN-GFCCVEGCSA-N 0 0 245.322 3.529 20 0 BHADRN CCOc1ccccc1[C@H](C)NCc1ccoc1 ZINC000134288344 358786015 /nfs/dbraw/zinc/78/60/15/358786015.db2.gz MOOXLJGJBMLITN-LBPRGKRZSA-N 0 0 245.322 3.529 20 0 BHADRN Cc1ccccc1CSCCc1cccnc1 ZINC000134295398 372193107 /nfs/dbraw/zinc/19/31/07/372193107.db2.gz PPRRFFSVWDVCOU-UHFFFAOYSA-N 0 0 243.375 3.866 20 0 BHADRN c1cncc(CCSC2CCCCC2)c1 ZINC000134297107 384346328 /nfs/dbraw/zinc/34/63/28/384346328.db2.gz OUGZUVUWAASFBR-UHFFFAOYSA-N 0 0 221.369 3.690 20 0 BHADRN CCOc1cc(Cl)ccc1N[C@@H](C)C1CC1 ZINC000134304378 323023247 /nfs/dbraw/zinc/02/32/47/323023247.db2.gz UZMZNNNYYNQVPY-VIFPVBQESA-N 0 0 239.746 3.949 20 0 BHADRN CCOc1cc(Cl)ccc1N[C@H](C)C1CC1 ZINC000134304399 325353371 /nfs/dbraw/zinc/35/33/71/325353371.db2.gz UZMZNNNYYNQVPY-SECBINFHSA-N 0 0 239.746 3.949 20 0 BHADRN CC[C@@H](Cc1ccccc1)Nc1cccc(F)n1 ZINC000134304855 591914814 /nfs/dbraw/zinc/91/48/14/591914814.db2.gz PIGNZZLEQRNRNL-ZDUSSCGKSA-N 0 0 244.313 3.654 20 0 BHADRN CC[C@H](Cc1ccccc1)Nc1cccc(F)n1 ZINC000134304876 591914376 /nfs/dbraw/zinc/91/43/76/591914376.db2.gz PIGNZZLEQRNRNL-CYBMUJFWSA-N 0 0 244.313 3.654 20 0 BHADRN CCCn1cc(N[C@@H](C)c2ccsc2)cn1 ZINC000134305696 591914366 /nfs/dbraw/zinc/91/43/66/591914366.db2.gz VFOCQNRNQMVMRT-JTQLQIEISA-N 0 0 235.356 3.528 20 0 BHADRN CCCn1cc(N[C@H](C)c2ccsc2)cn1 ZINC000134305718 591914415 /nfs/dbraw/zinc/91/44/15/591914415.db2.gz VFOCQNRNQMVMRT-SNVBAGLBSA-N 0 0 235.356 3.528 20 0 BHADRN CC[C@H](Nc1ccc(SC)cn1)C(C)C ZINC000134308222 364397953 /nfs/dbraw/zinc/39/79/53/364397953.db2.gz GQKWRORBJIWOEL-NSHDSACASA-N 0 0 224.373 3.650 20 0 BHADRN CC[C@@H](Nc1ccc(SC)cn1)C(C)C ZINC000134308245 364398159 /nfs/dbraw/zinc/39/81/59/364398159.db2.gz GQKWRORBJIWOEL-LLVKDONJSA-N 0 0 224.373 3.650 20 0 BHADRN CSc1ccc(N[C@@H](C)c2ccco2)nc1 ZINC000134308323 358786635 /nfs/dbraw/zinc/78/66/35/358786635.db2.gz OANXVURWNRRJNU-VIFPVBQESA-N 0 0 234.324 3.570 20 0 BHADRN CSc1ccc(N[C@H](C)c2ccco2)nc1 ZINC000134308346 134707636 /nfs/dbraw/zinc/70/76/36/134707636.db2.gz OANXVURWNRRJNU-SECBINFHSA-N 0 0 234.324 3.570 20 0 BHADRN CC[C@@H]1CCC[C@@H]1Nc1ccc(SC)cn1 ZINC000134308677 325353552 /nfs/dbraw/zinc/35/35/52/325353552.db2.gz UTLZCGCZAXMNLO-PWSUYJOCSA-N 0 0 236.384 3.794 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1ccc(SC)cn1 ZINC000134308701 325353656 /nfs/dbraw/zinc/35/36/56/325353656.db2.gz UTLZCGCZAXMNLO-JQWIXIFHSA-N 0 0 236.384 3.794 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1ccc(SC)cn1 ZINC000134308727 325353620 /nfs/dbraw/zinc/35/36/20/325353620.db2.gz UTLZCGCZAXMNLO-ZYHUDNBSSA-N 0 0 236.384 3.794 20 0 BHADRN CC[C@H]1CCC[C@H]1Nc1ccc(SC)cn1 ZINC000134308749 325353809 /nfs/dbraw/zinc/35/38/09/325353809.db2.gz UTLZCGCZAXMNLO-CMPLNLGQSA-N 0 0 236.384 3.794 20 0 BHADRN CSc1ccc(N[C@@H](C)C2CCCC2)nc1 ZINC000134309269 325353811 /nfs/dbraw/zinc/35/38/11/325353811.db2.gz DAKMUXNZBQUADU-JTQLQIEISA-N 0 0 236.384 3.794 20 0 BHADRN CSc1ccc(N[C@H](C)C2CCCC2)nc1 ZINC000134309291 325353458 /nfs/dbraw/zinc/35/34/58/325353458.db2.gz DAKMUXNZBQUADU-SNVBAGLBSA-N 0 0 236.384 3.794 20 0 BHADRN CSc1ccc(N[C@@H](C)c2ccoc2)nc1 ZINC000134309363 325353784 /nfs/dbraw/zinc/35/37/84/325353784.db2.gz DQZLSYUAWDINQM-VIFPVBQESA-N 0 0 234.324 3.570 20 0 BHADRN CSc1ccc(N[C@H](C)c2ccoc2)nc1 ZINC000134309383 325353706 /nfs/dbraw/zinc/35/37/06/325353706.db2.gz DQZLSYUAWDINQM-SECBINFHSA-N 0 0 234.324 3.570 20 0 BHADRN CSc1ccc(N[C@@H](C)C(C)(C)C)nc1 ZINC000134309772 325353522 /nfs/dbraw/zinc/35/35/22/325353522.db2.gz OQRGDTUSNXEQER-VIFPVBQESA-N 0 0 224.373 3.650 20 0 BHADRN CSc1ccc(N[C@H](C)C(C)(C)C)nc1 ZINC000134309789 325353650 /nfs/dbraw/zinc/35/36/50/325353650.db2.gz OQRGDTUSNXEQER-SECBINFHSA-N 0 0 224.373 3.650 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc(SC)cn1 ZINC000134309899 364398634 /nfs/dbraw/zinc/39/86/34/364398634.db2.gz FVIQFCOXXUAUCQ-NXEZZACHSA-N 0 0 224.373 3.650 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc(SC)cn1 ZINC000134309919 364399481 /nfs/dbraw/zinc/39/94/81/364399481.db2.gz FVIQFCOXXUAUCQ-VHSXEESVSA-N 0 0 224.373 3.650 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc(SC)cn1 ZINC000134309944 364399607 /nfs/dbraw/zinc/39/96/07/364399607.db2.gz FVIQFCOXXUAUCQ-ZJUUUORDSA-N 0 0 224.373 3.650 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc(SC)cn1 ZINC000134309962 364399919 /nfs/dbraw/zinc/39/99/19/364399919.db2.gz FVIQFCOXXUAUCQ-UWVGGRQHSA-N 0 0 224.373 3.650 20 0 BHADRN Cc1ccc(N[C@@H](C)CSC(C)(C)C)cn1 ZINC000134314179 591915761 /nfs/dbraw/zinc/91/57/61/591915761.db2.gz KYSBIRQYKYQWLF-NSHDSACASA-N 0 0 238.400 3.722 20 0 BHADRN Cc1ccc(N[C@H](C)CSC(C)(C)C)cn1 ZINC000134314199 591915919 /nfs/dbraw/zinc/91/59/19/591915919.db2.gz KYSBIRQYKYQWLF-LLVKDONJSA-N 0 0 238.400 3.722 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1ccc(C)nc1 ZINC000134314599 325353432 /nfs/dbraw/zinc/35/34/32/325353432.db2.gz MIKKPPQROPCGRC-ZDUSSCGKSA-N 0 0 218.344 3.937 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1ccc(C)nc1 ZINC000134314613 325353545 /nfs/dbraw/zinc/35/35/45/325353545.db2.gz MIKKPPQROPCGRC-CYBMUJFWSA-N 0 0 218.344 3.937 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000134315188 325353805 /nfs/dbraw/zinc/35/38/05/325353805.db2.gz ASXDXLJYJNOQPB-IUODEOHRSA-N 0 0 242.322 3.543 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000134315212 325353490 /nfs/dbraw/zinc/35/34/90/325353490.db2.gz ASXDXLJYJNOQPB-DOMZBBRYSA-N 0 0 242.322 3.543 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000134315231 325353803 /nfs/dbraw/zinc/35/38/03/325353803.db2.gz ASXDXLJYJNOQPB-SWLSCSKDSA-N 0 0 242.322 3.543 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000134315256 325353798 /nfs/dbraw/zinc/35/37/98/325353798.db2.gz ASXDXLJYJNOQPB-WFASDCNBSA-N 0 0 242.322 3.543 20 0 BHADRN C[C@H](Nc1ccc(Cl)cc1)C1CCOCC1 ZINC000134315648 325353560 /nfs/dbraw/zinc/35/35/60/325353560.db2.gz UQABCCWSLYAJTA-JTQLQIEISA-N 0 0 239.746 3.567 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)C1CCOCC1 ZINC000134315664 325353780 /nfs/dbraw/zinc/35/37/80/325353780.db2.gz UQABCCWSLYAJTA-SNVBAGLBSA-N 0 0 239.746 3.567 20 0 BHADRN CC[C@H](Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000134315694 325353639 /nfs/dbraw/zinc/35/36/39/325353639.db2.gz DLWCZEOQPFJPPX-MFKMUULPSA-N 0 0 239.746 3.567 20 0 BHADRN CC[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000134315719 325353804 /nfs/dbraw/zinc/35/38/04/325353804.db2.gz DLWCZEOQPFJPPX-ZWNOBZJWSA-N 0 0 239.746 3.567 20 0 BHADRN CC[C@H](Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000134315742 325353626 /nfs/dbraw/zinc/35/36/26/325353626.db2.gz DLWCZEOQPFJPPX-GWCFXTLKSA-N 0 0 239.746 3.567 20 0 BHADRN CC[C@@H](Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000134315761 325353786 /nfs/dbraw/zinc/35/37/86/325353786.db2.gz DLWCZEOQPFJPPX-GXFFZTMASA-N 0 0 239.746 3.567 20 0 BHADRN Cc1nc2ccc(N[C@@H](C)C(C)C)cc2o1 ZINC000134317721 325353500 /nfs/dbraw/zinc/35/35/00/325353500.db2.gz SMNQZVSKMOTLOD-VIFPVBQESA-N 0 0 218.300 3.593 20 0 BHADRN Cc1nc2ccc(N[C@H](C)C(C)C)cc2o1 ZINC000134317743 325353648 /nfs/dbraw/zinc/35/36/48/325353648.db2.gz SMNQZVSKMOTLOD-SECBINFHSA-N 0 0 218.300 3.593 20 0 BHADRN COc1c(Cl)cccc1N[C@H](C)C(C)C ZINC000134319745 491163053 /nfs/dbraw/zinc/16/30/53/491163053.db2.gz PQWYDOHXDZFVDV-SECBINFHSA-N 0 0 227.735 3.805 20 0 BHADRN COc1c(Cl)cccc1N[C@@H](C)C(C)C ZINC000134319767 491163025 /nfs/dbraw/zinc/16/30/25/491163025.db2.gz PQWYDOHXDZFVDV-VIFPVBQESA-N 0 0 227.735 3.805 20 0 BHADRN CCOCc1cccc(N[C@@H](C)C(C)C)c1 ZINC000134320269 325354078 /nfs/dbraw/zinc/35/40/78/325354078.db2.gz WYMRSVOIEVUFCX-LBPRGKRZSA-N 0 0 221.344 3.680 20 0 BHADRN CCOCc1cccc(N[C@H](C)C(C)C)c1 ZINC000134320289 325354165 /nfs/dbraw/zinc/35/41/65/325354165.db2.gz WYMRSVOIEVUFCX-GFCCVEGCSA-N 0 0 221.344 3.680 20 0 BHADRN CCc1ccc(N[C@@H](C)C2CC2)cc1F ZINC000134324293 325353977 /nfs/dbraw/zinc/35/39/77/325353977.db2.gz QHSOSJMDJBKWNP-VIFPVBQESA-N 0 0 207.292 3.599 20 0 BHADRN CCc1ccc(N[C@H](C)C2CC2)cc1F ZINC000134324317 325354176 /nfs/dbraw/zinc/35/41/76/325354176.db2.gz QHSOSJMDJBKWNP-SECBINFHSA-N 0 0 207.292 3.599 20 0 BHADRN Cc1cscc1N[C@@H](C)c1ccco1 ZINC000134324753 386406142 /nfs/dbraw/zinc/40/61/42/386406142.db2.gz YZYXBDCHISVYPW-VIFPVBQESA-N 0 0 207.298 3.823 20 0 BHADRN Cc1cscc1N[C@H](C)c1ccco1 ZINC000134324778 384348165 /nfs/dbraw/zinc/34/81/65/384348165.db2.gz YZYXBDCHISVYPW-SECBINFHSA-N 0 0 207.298 3.823 20 0 BHADRN Cc1cscc1N[C@@H](C)c1cnc(C)s1 ZINC000134325369 491163010 /nfs/dbraw/zinc/16/30/10/491163010.db2.gz UHJLBFQSNIDKDA-QMMMGPOBSA-N 0 0 238.381 3.995 20 0 BHADRN Cc1cscc1N[C@H](C)c1cnc(C)s1 ZINC000134325391 491163050 /nfs/dbraw/zinc/16/30/50/491163050.db2.gz UHJLBFQSNIDKDA-MRVPVSSYSA-N 0 0 238.381 3.995 20 0 BHADRN CCO[C@@H]1C[C@H](Nc2cscc2C)C1(C)C ZINC000134325848 325353936 /nfs/dbraw/zinc/35/39/36/325353936.db2.gz NAOIUHTYIWZXCK-NWDGAFQWSA-N 0 0 239.384 3.672 20 0 BHADRN CCO[C@H]1C[C@H](Nc2cscc2C)C1(C)C ZINC000134325866 325354188 /nfs/dbraw/zinc/35/41/88/325354188.db2.gz NAOIUHTYIWZXCK-RYUDHWBXSA-N 0 0 239.384 3.672 20 0 BHADRN CCO[C@@H]1C[C@@H](Nc2cscc2C)C1(C)C ZINC000134325885 323198198 /nfs/dbraw/zinc/19/81/98/323198198.db2.gz NAOIUHTYIWZXCK-VXGBXAGGSA-N 0 0 239.384 3.672 20 0 BHADRN CCO[C@H]1C[C@@H](Nc2cscc2C)C1(C)C ZINC000134325905 323023309 /nfs/dbraw/zinc/02/33/09/323023309.db2.gz NAOIUHTYIWZXCK-NEPJUHHUSA-N 0 0 239.384 3.672 20 0 BHADRN Cc1cscc1N[C@H](C)c1cnccc1C ZINC000134326036 384348108 /nfs/dbraw/zinc/34/81/08/384348108.db2.gz IPIXJXXQGWRZMX-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cscc1N[C@@H](C)c1cnccc1C ZINC000134326051 384350054 /nfs/dbraw/zinc/35/00/54/384350054.db2.gz IPIXJXXQGWRZMX-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cscc1N[C@@H](C)c1ccccn1 ZINC000134326148 179808825 /nfs/dbraw/zinc/80/88/25/179808825.db2.gz ODZXABPEMSODQH-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1cscc1N[C@H](C)c1ccccn1 ZINC000134326170 388476472 /nfs/dbraw/zinc/47/64/72/388476472.db2.gz ODZXABPEMSODQH-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN Cc1cscc1N[C@@H](C)c1nccs1 ZINC000134326437 386406575 /nfs/dbraw/zinc/40/65/75/386406575.db2.gz XFFJYPCLANKHLS-QMMMGPOBSA-N 0 0 224.354 3.686 20 0 BHADRN Cc1cscc1N[C@H](C)c1nccs1 ZINC000134326456 386405261 /nfs/dbraw/zinc/40/52/61/386405261.db2.gz XFFJYPCLANKHLS-MRVPVSSYSA-N 0 0 224.354 3.686 20 0 BHADRN Cc1cscc1N[C@@H](C)c1ccoc1 ZINC000134326888 325354154 /nfs/dbraw/zinc/35/41/54/325354154.db2.gz GAMWRVWARQXYHI-VIFPVBQESA-N 0 0 207.298 3.823 20 0 BHADRN Cc1cscc1N[C@H](C)c1ccoc1 ZINC000134326913 325354067 /nfs/dbraw/zinc/35/40/67/325354067.db2.gz GAMWRVWARQXYHI-SECBINFHSA-N 0 0 207.298 3.823 20 0 BHADRN Cc1cscc1N[C@@H](C)c1cscn1 ZINC000134327251 179808595 /nfs/dbraw/zinc/80/85/95/179808595.db2.gz LUKWIAGSHUWYPY-QMMMGPOBSA-N 0 0 224.354 3.686 20 0 BHADRN Cc1cscc1N[C@H](C)c1cscn1 ZINC000134327274 386843268 /nfs/dbraw/zinc/84/32/68/386843268.db2.gz LUKWIAGSHUWYPY-MRVPVSSYSA-N 0 0 224.354 3.686 20 0 BHADRN Cc1cscc1N[C@@H](C)c1cccnc1 ZINC000134327726 388475926 /nfs/dbraw/zinc/47/59/26/388475926.db2.gz JYCCCNNIUIACGU-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1cscc1N[C@H](C)c1cccnc1 ZINC000134327747 388475929 /nfs/dbraw/zinc/47/59/29/388475929.db2.gz JYCCCNNIUIACGU-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN Cc1cscc1N[C@@H](C)c1cncc(F)c1 ZINC000134328378 384349644 /nfs/dbraw/zinc/34/96/44/384349644.db2.gz LHQNYOHBUXIWCE-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cscc1N[C@H](C)c1cncc(F)c1 ZINC000134328400 179809006 /nfs/dbraw/zinc/80/90/06/179809006.db2.gz LHQNYOHBUXIWCE-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cscc1N[C@@H](C)c1ccc(F)cn1 ZINC000134328671 384349269 /nfs/dbraw/zinc/34/92/69/384349269.db2.gz HASZKNBYQOLMTQ-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cscc1N[C@H](C)c1ccc(F)cn1 ZINC000134328694 384348609 /nfs/dbraw/zinc/34/86/09/384348609.db2.gz HASZKNBYQOLMTQ-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cscc1N[C@@H](C)c1ccncc1 ZINC000134329802 388475931 /nfs/dbraw/zinc/47/59/31/388475931.db2.gz LUDVRFNMCUSLEE-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1cscc1N[C@H](C)c1ccncc1 ZINC000134329822 388476152 /nfs/dbraw/zinc/47/61/52/388476152.db2.gz LUDVRFNMCUSLEE-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN Cc1cscc1N[C@@H](C)c1cncs1 ZINC000134330361 386407151 /nfs/dbraw/zinc/40/71/51/386407151.db2.gz SFBBGDKNNXZIOR-QMMMGPOBSA-N 0 0 224.354 3.686 20 0 BHADRN Cc1cscc1N[C@H](C)c1cncs1 ZINC000134330384 386406798 /nfs/dbraw/zinc/40/67/98/386406798.db2.gz SFBBGDKNNXZIOR-MRVPVSSYSA-N 0 0 224.354 3.686 20 0 BHADRN Cc1ncccc1N[C@@H](C)CSC(C)(C)C ZINC000134336741 591919908 /nfs/dbraw/zinc/91/99/08/591919908.db2.gz KTEIUFGYOKPDLJ-JTQLQIEISA-N 0 0 238.400 3.722 20 0 BHADRN Cc1ncccc1N[C@H](C)CSC(C)(C)C ZINC000134336763 591919320 /nfs/dbraw/zinc/91/93/20/591919320.db2.gz KTEIUFGYOKPDLJ-SNVBAGLBSA-N 0 0 238.400 3.722 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1cccnc1C ZINC000134337101 325354533 /nfs/dbraw/zinc/35/45/33/325354533.db2.gz GGDMYBFRZUQPMA-LBPRGKRZSA-N 0 0 218.344 3.937 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1cccnc1C ZINC000134337123 325354308 /nfs/dbraw/zinc/35/43/08/325354308.db2.gz GGDMYBFRZUQPMA-GFCCVEGCSA-N 0 0 218.344 3.937 20 0 BHADRN Cc1cncc(N[C@@H](C)CSC(C)(C)C)c1 ZINC000134340459 591919415 /nfs/dbraw/zinc/91/94/15/591919415.db2.gz ZKBHSAUCKKBKPU-NSHDSACASA-N 0 0 238.400 3.722 20 0 BHADRN Cc1cncc(N[C@H](C)CSC(C)(C)C)c1 ZINC000134340476 591920033 /nfs/dbraw/zinc/92/00/33/591920033.db2.gz ZKBHSAUCKKBKPU-LLVKDONJSA-N 0 0 238.400 3.722 20 0 BHADRN Cc1cncc(N[C@@H](C)CCC(C)C)c1 ZINC000134341553 325354536 /nfs/dbraw/zinc/35/45/36/325354536.db2.gz CKJDEWAZGRLMJZ-LBPRGKRZSA-N 0 0 206.333 3.627 20 0 BHADRN Cc1cncc(N[C@H](C)CCC(C)C)c1 ZINC000134341576 325354299 /nfs/dbraw/zinc/35/42/99/325354299.db2.gz CKJDEWAZGRLMJZ-GFCCVEGCSA-N 0 0 206.333 3.627 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1cncc(C)c1 ZINC000134341818 323199662 /nfs/dbraw/zinc/19/96/62/323199662.db2.gz FNZORADPSQEBAQ-ZDUSSCGKSA-N 0 0 218.344 3.937 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1cncc(C)c1 ZINC000134341842 325354529 /nfs/dbraw/zinc/35/45/29/325354529.db2.gz FNZORADPSQEBAQ-CYBMUJFWSA-N 0 0 218.344 3.937 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cc(F)ccc1OC ZINC000134355113 325354998 /nfs/dbraw/zinc/35/49/98/325354998.db2.gz HHVCFJDKSHKMBT-NXEZZACHSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cc(F)ccc1OC ZINC000134355133 325354801 /nfs/dbraw/zinc/35/48/01/325354801.db2.gz HHVCFJDKSHKMBT-VHSXEESVSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cc(F)ccc1OC ZINC000134355151 325354707 /nfs/dbraw/zinc/35/47/07/325354707.db2.gz HHVCFJDKSHKMBT-ZJUUUORDSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cc(F)ccc1OC ZINC000134355174 325354929 /nfs/dbraw/zinc/35/49/29/325354929.db2.gz HHVCFJDKSHKMBT-UWVGGRQHSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@@H](C)Nc1cc(C)cc2cccnc21 ZINC000134355588 325354864 /nfs/dbraw/zinc/35/48/64/325354864.db2.gz OPRDORULGBZEEL-LLVKDONJSA-N 0 0 214.312 3.754 20 0 BHADRN CC[C@H](C)Nc1cc(C)cc2cccnc21 ZINC000134355611 325354685 /nfs/dbraw/zinc/35/46/85/325354685.db2.gz OPRDORULGBZEEL-NSHDSACASA-N 0 0 214.312 3.754 20 0 BHADRN CCC(CC)CNC(=O)CCC1CCCC1 ZINC000134356196 325354866 /nfs/dbraw/zinc/35/48/66/325354866.db2.gz ZDQZYXTZWZFLFE-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC(CC)CNC(=O)CCC1CCCCC1 ZINC000134357222 325354917 /nfs/dbraw/zinc/35/49/17/325354917.db2.gz RIBGCOXUFQBFKH-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC(CC)CNC(=O)c1cc2ccccc2o1 ZINC000134358559 325354991 /nfs/dbraw/zinc/35/49/91/325354991.db2.gz FOXUJRLPOPSTDE-UHFFFAOYSA-N 0 0 245.322 3.599 20 0 BHADRN CCC(CC)CNC(=O)CC1CCCCC1 ZINC000134359278 325355199 /nfs/dbraw/zinc/35/51/99/325355199.db2.gz DKTULDXKDWQQFD-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCSCc1ccnc(N[C@@H](C)C2CC2)c1 ZINC000134359920 325355300 /nfs/dbraw/zinc/35/53/00/325355300.db2.gz PGMXAWKKXIJVOI-JTQLQIEISA-N 0 0 236.384 3.545 20 0 BHADRN CCSCc1ccnc(N[C@H](C)C2CC2)c1 ZINC000134359943 325355145 /nfs/dbraw/zinc/35/51/45/325355145.db2.gz PGMXAWKKXIJVOI-SNVBAGLBSA-N 0 0 236.384 3.545 20 0 BHADRN CCSCc1ccnc(N[C@@H](C)C(C)C)c1 ZINC000134360089 358787379 /nfs/dbraw/zinc/78/73/79/358787379.db2.gz CTHNKDQFRXGFHG-NSHDSACASA-N 0 0 238.400 3.791 20 0 BHADRN CCSCc1ccnc(N[C@H](C)C(C)C)c1 ZINC000134360111 358787772 /nfs/dbraw/zinc/78/77/72/358787772.db2.gz CTHNKDQFRXGFHG-LLVKDONJSA-N 0 0 238.400 3.791 20 0 BHADRN CCC[C@@H](C)[C@@H](CC)Nc1cnn(CC)c1 ZINC000134360624 325355327 /nfs/dbraw/zinc/35/53/27/325355327.db2.gz DNQRCTBOCZOSIJ-DGCLKSJQSA-N 0 0 223.364 3.530 20 0 BHADRN CCC[C@H](C)[C@@H](CC)Nc1cnn(CC)c1 ZINC000134360647 325355268 /nfs/dbraw/zinc/35/52/68/325355268.db2.gz DNQRCTBOCZOSIJ-WCQYABFASA-N 0 0 223.364 3.530 20 0 BHADRN CCC[C@@H](C)[C@H](CC)Nc1cnn(CC)c1 ZINC000134360667 325355128 /nfs/dbraw/zinc/35/51/28/325355128.db2.gz DNQRCTBOCZOSIJ-YPMHNXCESA-N 0 0 223.364 3.530 20 0 BHADRN CCC[C@H](C)[C@H](CC)Nc1cnn(CC)c1 ZINC000134360687 325355227 /nfs/dbraw/zinc/35/52/27/325355227.db2.gz DNQRCTBOCZOSIJ-AAEUAGOBSA-N 0 0 223.364 3.530 20 0 BHADRN CCC(CC)CNC(=O)c1cc(C)sc1C ZINC000134363267 372200396 /nfs/dbraw/zinc/20/03/96/372200396.db2.gz XUCVTMRMEGULRB-UHFFFAOYSA-N 0 0 239.384 3.531 20 0 BHADRN CCC(CC)CNC(=O)[C@@H](CC)c1ccccc1 ZINC000134368419 325355652 /nfs/dbraw/zinc/35/56/52/325355652.db2.gz JTQLOYXGFCMLAB-HNNXBMFYSA-N 0 0 247.382 3.733 20 0 BHADRN CCC(CC)CNC(=O)[C@H](CC)c1ccccc1 ZINC000134368443 325355773 /nfs/dbraw/zinc/35/57/73/325355773.db2.gz JTQLOYXGFCMLAB-OAHLLOKOSA-N 0 0 247.382 3.733 20 0 BHADRN CCC(CC)CNC(=O)C(C)(C)c1ccccc1 ZINC000134368524 325355739 /nfs/dbraw/zinc/35/57/39/325355739.db2.gz HDRCCWFNAWNGCD-UHFFFAOYSA-N 0 0 247.382 3.517 20 0 BHADRN CCC(CC)CNC(=O)c1cc(C)c(C)s1 ZINC000134368918 325355629 /nfs/dbraw/zinc/35/56/29/325355629.db2.gz MTABAJFTINWTBB-UHFFFAOYSA-N 0 0 239.384 3.531 20 0 BHADRN C[C@H](Nc1ccc(F)c(F)c1)C(C)(C)C ZINC000134369335 325356019 /nfs/dbraw/zinc/35/60/19/325356019.db2.gz RVSLLWXUKHRKCU-QMMMGPOBSA-N 0 0 213.271 3.811 20 0 BHADRN C[C@@H](Nc1ccc(F)c(F)c1)C(C)(C)C ZINC000134369356 325355928 /nfs/dbraw/zinc/35/59/28/325355928.db2.gz RVSLLWXUKHRKCU-MRVPVSSYSA-N 0 0 213.271 3.811 20 0 BHADRN CC(C)[C@H](Nc1ccc(F)c(F)c1)C1CC1 ZINC000134369385 323023632 /nfs/dbraw/zinc/02/36/32/323023632.db2.gz RAZNTWMWMDRSOW-ZDUSSCGKSA-N 0 0 225.282 3.811 20 0 BHADRN CC(C)[C@@H](Nc1ccc(F)c(F)c1)C1CC1 ZINC000134369409 325356062 /nfs/dbraw/zinc/35/60/62/325356062.db2.gz RAZNTWMWMDRSOW-CYBMUJFWSA-N 0 0 225.282 3.811 20 0 BHADRN CCc1cc(C)c(C(=O)Nc2ccc(F)cc2)o1 ZINC000134369479 358788789 /nfs/dbraw/zinc/78/87/89/358788789.db2.gz ULWUDVQTKLDYCJ-UHFFFAOYSA-N 0 0 247.269 3.542 20 0 BHADRN CCCCCCC(=O)NCC(CC)CC ZINC000134369714 591923268 /nfs/dbraw/zinc/92/32/68/591923268.db2.gz WBDMOFVAEFQHEF-UHFFFAOYSA-N 0 0 213.365 3.509 20 0 BHADRN CCCC[C@@H](CC)C(=O)NCC(CC)CC ZINC000134372752 325356136 /nfs/dbraw/zinc/35/61/36/325356136.db2.gz VAXLOICBQBFFAA-CYBMUJFWSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC[C@H](CC)C(=O)NCC(CC)CC ZINC000134372779 325356200 /nfs/dbraw/zinc/35/62/00/325356200.db2.gz VAXLOICBQBFFAA-ZDUSSCGKSA-N 0 0 227.392 3.755 20 0 BHADRN CCC(CC)CNC(=O)CCCc1ccccc1 ZINC000134372969 325356118 /nfs/dbraw/zinc/35/61/18/325356118.db2.gz XLGHDTFPRIGFNK-UHFFFAOYSA-N 0 0 247.382 3.562 20 0 BHADRN CCCCCCC(=O)N(C)[C@@H](C)CCSC ZINC000134373945 591923020 /nfs/dbraw/zinc/92/30/20/591923020.db2.gz YGLRYCPXHHUFQJ-LBPRGKRZSA-N 0 0 245.432 3.557 20 0 BHADRN CCCCCCC(=O)N(C)[C@H](C)CCSC ZINC000134373965 591923632 /nfs/dbraw/zinc/92/36/32/591923632.db2.gz YGLRYCPXHHUFQJ-GFCCVEGCSA-N 0 0 245.432 3.557 20 0 BHADRN CCC(CC)CNC(=O)C1CCCCCC1 ZINC000134374459 325356087 /nfs/dbraw/zinc/35/60/87/325356087.db2.gz VKDACTJTNSKBOA-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC(CC)CNc1cccc(C(F)(F)F)n1 ZINC000134375274 325356101 /nfs/dbraw/zinc/35/61/01/325356101.db2.gz PGOZWGFJKXCSOJ-UHFFFAOYSA-N 0 0 246.276 3.949 20 0 BHADRN CCC(CC)CNc1ncccc1C(F)(F)F ZINC000134375499 325355923 /nfs/dbraw/zinc/35/59/23/325355923.db2.gz ZJFQYZMBQWGTKH-UHFFFAOYSA-N 0 0 246.276 3.949 20 0 BHADRN CC(C)[C@@H](C)Nc1cncc2ccccc21 ZINC000134375891 343194276 /nfs/dbraw/zinc/19/42/76/343194276.db2.gz BIYDFBPKHJTOKM-LLVKDONJSA-N 0 0 214.312 3.691 20 0 BHADRN CC(C)[C@H](C)Nc1cncc2ccccc21 ZINC000134375916 343194620 /nfs/dbraw/zinc/19/46/20/343194620.db2.gz BIYDFBPKHJTOKM-NSHDSACASA-N 0 0 214.312 3.691 20 0 BHADRN CCn1c2ccccc2nc1SCCCF ZINC000134383094 323201960 /nfs/dbraw/zinc/20/19/60/323201960.db2.gz IKSLPSMVLGOVPR-UHFFFAOYSA-N 0 0 238.331 3.508 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccco2)c1F ZINC000134391507 325357064 /nfs/dbraw/zinc/35/70/64/325357064.db2.gz FBVHOQBWMQCIIQ-JTQLQIEISA-N 0 0 219.259 3.900 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccco2)c1F ZINC000134391527 325356939 /nfs/dbraw/zinc/35/69/39/325356939.db2.gz FBVHOQBWMQCIIQ-SNVBAGLBSA-N 0 0 219.259 3.900 20 0 BHADRN Cc1cccc(N[C@@H](C)c2nccs2)c1F ZINC000134391966 179153525 /nfs/dbraw/zinc/15/35/25/179153525.db2.gz IGYBNVSVEQSIKR-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cccc(N[C@H](C)c2nccs2)c1F ZINC000134391989 179157174 /nfs/dbraw/zinc/15/71/74/179157174.db2.gz IGYBNVSVEQSIKR-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccoc2)c1F ZINC000134392017 325357067 /nfs/dbraw/zinc/35/70/67/325357067.db2.gz YKRINJFQPFKIQJ-JTQLQIEISA-N 0 0 219.259 3.900 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccoc2)c1F ZINC000134392041 325357049 /nfs/dbraw/zinc/35/70/49/325357049.db2.gz YKRINJFQPFKIQJ-SNVBAGLBSA-N 0 0 219.259 3.900 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cscn2)c1F ZINC000134392069 179153481 /nfs/dbraw/zinc/15/34/81/179153481.db2.gz DAHKDUHHCHPGPG-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cccc(N[C@H](C)c2cscn2)c1F ZINC000134392089 179157897 /nfs/dbraw/zinc/15/78/97/179157897.db2.gz DAHKDUHHCHPGPG-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN CC[C@H](Nc1cccc(C)c1F)C1CC1 ZINC000134392237 325356944 /nfs/dbraw/zinc/35/69/44/325356944.db2.gz YKBFVZROSXERJP-NSHDSACASA-N 0 0 207.292 3.735 20 0 BHADRN CC[C@@H](Nc1cccc(C)c1F)C1CC1 ZINC000134392256 325356861 /nfs/dbraw/zinc/35/68/61/325356861.db2.gz YKBFVZROSXERJP-LLVKDONJSA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cccc(NC(C2CC2)C2CC2)c1F ZINC000134392807 325356885 /nfs/dbraw/zinc/35/68/85/325356885.db2.gz AKVCWWUKNQKLGI-UHFFFAOYSA-N 0 0 219.303 3.735 20 0 BHADRN CCN(CC)C(=O)Nc1cccc(C(C)C)c1 ZINC000134393927 384350834 /nfs/dbraw/zinc/35/08/34/384350834.db2.gz PLUMARJKNJAIOC-UHFFFAOYSA-N 0 0 234.343 3.684 20 0 BHADRN CC(C)N(C)C(=O)Nc1ccc2ccccc2c1 ZINC000134433113 187985427 /nfs/dbraw/zinc/98/54/27/187985427.db2.gz SAPGHIZJRLLVBQ-UHFFFAOYSA-N 0 0 242.322 3.712 20 0 BHADRN CCc1ccc(CNc2ccc(Cl)cn2)o1 ZINC000134434354 325358608 /nfs/dbraw/zinc/35/86/08/325358608.db2.gz LBVOALAEJLQKCY-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN CCCCc1ccc(NC(=O)N(C)C(C)C)cc1 ZINC000134441749 325358812 /nfs/dbraw/zinc/35/88/12/325358812.db2.gz IECMHQJITBCFAV-UHFFFAOYSA-N 0 0 248.370 3.901 20 0 BHADRN Cc1ccoc1CNc1cnc(Cl)c(C)c1 ZINC000134442874 591928126 /nfs/dbraw/zinc/92/81/26/591928126.db2.gz VLNBHZRHXIBUJD-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1ccc2c(c1)[C@H](Nc1cccc(F)n1)CC2 ZINC000134445512 591928067 /nfs/dbraw/zinc/92/80/67/591928067.db2.gz HVOVFTHZEWXKHZ-CYBMUJFWSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccc2c(c1)[C@@H](Nc1cccc(F)n1)CC2 ZINC000134445535 591928133 /nfs/dbraw/zinc/92/81/33/591928133.db2.gz HVOVFTHZEWXKHZ-ZDUSSCGKSA-N 0 0 242.297 3.629 20 0 BHADRN O=C(Nc1cccc2ccccc21)NC1CCC1 ZINC000134452070 182372943 /nfs/dbraw/zinc/37/29/43/182372943.db2.gz CUSOJSVXXISZLT-UHFFFAOYSA-N 0 0 240.306 3.514 20 0 BHADRN CCCCc1ccc(NC(=O)NC2CCC2)cc1 ZINC000134457653 325359759 /nfs/dbraw/zinc/35/97/59/325359759.db2.gz OTPGEBSCDBXYFW-UHFFFAOYSA-N 0 0 246.354 3.703 20 0 BHADRN CCC[C@H](C(=O)NC[C@H]1CC=CCC1)C(C)C ZINC000134471699 325360275 /nfs/dbraw/zinc/36/02/75/325360275.db2.gz ZQNKXLNUDPSHJP-KBPBESRZSA-N 0 0 237.387 3.531 20 0 BHADRN CCC[C@@H](C(=O)NC[C@H]1CC=CCC1)C(C)C ZINC000134471723 325360327 /nfs/dbraw/zinc/36/03/27/325360327.db2.gz ZQNKXLNUDPSHJP-UONOGXRCSA-N 0 0 237.387 3.531 20 0 BHADRN CCC[C@H](C(=O)NC[C@@H]1CC=CCC1)C(C)C ZINC000134471745 325360155 /nfs/dbraw/zinc/36/01/55/325360155.db2.gz ZQNKXLNUDPSHJP-KGLIPLIRSA-N 0 0 237.387 3.531 20 0 BHADRN CCC[C@@H](C(=O)NC[C@@H]1CC=CCC1)C(C)C ZINC000134471762 325360150 /nfs/dbraw/zinc/36/01/50/325360150.db2.gz ZQNKXLNUDPSHJP-ZIAGYGMSSA-N 0 0 237.387 3.531 20 0 BHADRN CC1(CNC(=S)Nc2ccccc2)CCCC1 ZINC000134474926 591929382 /nfs/dbraw/zinc/92/93/82/591929382.db2.gz IHLZBORFKVNLPC-UHFFFAOYSA-N 0 0 248.395 3.553 20 0 BHADRN CCc1cccc(CC)c1NC(=O)N(C)C(C)C ZINC000134476200 384359830 /nfs/dbraw/zinc/35/98/30/384359830.db2.gz IFZBPHQNHFMKQA-UHFFFAOYSA-N 0 0 248.370 3.684 20 0 BHADRN C[C@H](Nc1ccccc1Cl)C1CCOCC1 ZINC000134487014 325360666 /nfs/dbraw/zinc/36/06/66/325360666.db2.gz XWOBEROCGJNDQA-JTQLQIEISA-N 0 0 239.746 3.567 20 0 BHADRN C[C@@H](Nc1ccccc1Cl)C1CCOCC1 ZINC000134487032 323024575 /nfs/dbraw/zinc/02/45/75/323024575.db2.gz XWOBEROCGJNDQA-SNVBAGLBSA-N 0 0 239.746 3.567 20 0 BHADRN CCC[C@@H](CC)Nc1ccc(N(C)C)cc1 ZINC000134487453 591931292 /nfs/dbraw/zinc/93/12/92/591931292.db2.gz TZBHYJXELSIEBP-GFCCVEGCSA-N 0 0 220.360 3.743 20 0 BHADRN CCC[C@H](CC)Nc1ccc(N(C)C)cc1 ZINC000134487474 591931454 /nfs/dbraw/zinc/93/14/54/591931454.db2.gz TZBHYJXELSIEBP-LBPRGKRZSA-N 0 0 220.360 3.743 20 0 BHADRN C[C@H](Nc1ccc(N(C)C)cc1)C(C)(C)C ZINC000134487504 591932044 /nfs/dbraw/zinc/93/20/44/591932044.db2.gz IBDUOXBRPHRMSG-NSHDSACASA-N 0 0 220.360 3.599 20 0 BHADRN C[C@@H](Nc1ccc(N(C)C)cc1)C(C)(C)C ZINC000134487519 591931778 /nfs/dbraw/zinc/93/17/78/591931778.db2.gz IBDUOXBRPHRMSG-LLVKDONJSA-N 0 0 220.360 3.599 20 0 BHADRN Cc1cc(F)ccc1-c1nc2cc(F)ccc2[nH]1 ZINC000134490880 325361045 /nfs/dbraw/zinc/36/10/45/325361045.db2.gz UPVUBBHXZWHNCY-UHFFFAOYSA-N 0 0 244.244 3.817 20 0 BHADRN C[C@H](Nc1cc(F)cc(Cl)c1)C1CC1 ZINC000134491045 325361148 /nfs/dbraw/zinc/36/11/48/325361148.db2.gz KULYQJIEXGFJFI-ZETCQYMHSA-N 0 0 213.683 3.690 20 0 BHADRN C[C@@H](Nc1cc(F)cc(Cl)c1)C1CC1 ZINC000134491071 325361079 /nfs/dbraw/zinc/36/10/79/325361079.db2.gz KULYQJIEXGFJFI-SSDOTTSWSA-N 0 0 213.683 3.690 20 0 BHADRN CC[C@@H](C)Nc1cc(F)cc(Cl)c1 ZINC000134491360 325361121 /nfs/dbraw/zinc/36/11/21/325361121.db2.gz RMGXNMBGADQIJD-SSDOTTSWSA-N 0 0 201.672 3.690 20 0 BHADRN CC[C@H](C)Nc1cc(F)cc(Cl)c1 ZINC000134491387 325360963 /nfs/dbraw/zinc/36/09/63/325360963.db2.gz RMGXNMBGADQIJD-ZETCQYMHSA-N 0 0 201.672 3.690 20 0 BHADRN COC[C@@H](Nc1cc(F)cc(Cl)c1)C(C)C ZINC000134491980 325360942 /nfs/dbraw/zinc/36/09/42/325360942.db2.gz CKEBAYZARZRFEN-GFCCVEGCSA-N 0 0 245.725 3.562 20 0 BHADRN COC[C@H](Nc1cc(F)cc(Cl)c1)C(C)C ZINC000134492002 325361030 /nfs/dbraw/zinc/36/10/30/325361030.db2.gz CKEBAYZARZRFEN-LBPRGKRZSA-N 0 0 245.725 3.562 20 0 BHADRN Cc1cc(N[C@@H](C)C(C)C)ccc1N(C)C ZINC000134493233 591931755 /nfs/dbraw/zinc/93/17/55/591931755.db2.gz XOWGGLXAHKXMDW-LBPRGKRZSA-N 0 0 220.360 3.517 20 0 BHADRN Cc1cc(N[C@H](C)C(C)C)ccc1N(C)C ZINC000134493254 591931224 /nfs/dbraw/zinc/93/12/24/591931224.db2.gz XOWGGLXAHKXMDW-GFCCVEGCSA-N 0 0 220.360 3.517 20 0 BHADRN C[C@H](Nc1ccc2ncsc2c1)C1CC1 ZINC000134493369 325361113 /nfs/dbraw/zinc/36/11/13/325361113.db2.gz MIIYOBALHMBTNU-QMMMGPOBSA-N 0 0 218.325 3.507 20 0 BHADRN C[C@@H](Nc1ccc2ncsc2c1)C1CC1 ZINC000134493387 325361042 /nfs/dbraw/zinc/36/10/42/325361042.db2.gz MIIYOBALHMBTNU-MRVPVSSYSA-N 0 0 218.325 3.507 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc2ncsc2c1 ZINC000134493569 325361587 /nfs/dbraw/zinc/36/15/87/325361587.db2.gz YXRAQDUAMBGDQH-SECBINFHSA-N 0 0 220.341 3.753 20 0 BHADRN CC(C)[C@H](C)Nc1ccc2ncsc2c1 ZINC000134493590 325361640 /nfs/dbraw/zinc/36/16/40/325361640.db2.gz YXRAQDUAMBGDQH-VIFPVBQESA-N 0 0 220.341 3.753 20 0 BHADRN CC[C@H](Nc1ccc2ncsc2c1)C1CC1 ZINC000134493634 538112712 /nfs/dbraw/zinc/11/27/12/538112712.db2.gz BQSBUKNZBYVTSQ-NSHDSACASA-N 0 0 232.352 3.897 20 0 BHADRN CC[C@@H](Nc1ccc2ncsc2c1)C1CC1 ZINC000134493656 538112727 /nfs/dbraw/zinc/11/27/27/538112727.db2.gz BQSBUKNZBYVTSQ-LLVKDONJSA-N 0 0 232.352 3.897 20 0 BHADRN COC[C@H](C)Nc1cc(Cl)ccc1SC ZINC000134496909 325361479 /nfs/dbraw/zinc/36/14/79/325361479.db2.gz UGUIZKRDIBGHPP-QMMMGPOBSA-N 0 0 245.775 3.509 20 0 BHADRN COC[C@@H](C)Nc1cc(Cl)ccc1SC ZINC000134496927 325361594 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ZINC000135153486 384418034 /nfs/dbraw/zinc/41/80/34/384418034.db2.gz QUCZRURISYRWNL-CYBMUJFWSA-N 0 0 229.323 3.747 20 0 BHADRN CC(C)c1ccc(N(C)Cc2nccs2)cc1 ZINC000135155202 591992839 /nfs/dbraw/zinc/99/28/39/591992839.db2.gz FNDMEONGMWSJJB-UHFFFAOYSA-N 0 0 246.379 3.903 20 0 BHADRN COc1cccc(Cl)c1CNc1ccccc1 ZINC000135156093 364430084 /nfs/dbraw/zinc/43/00/84/364430084.db2.gz YSAIXFSRJVRFPO-UHFFFAOYSA-N 0 0 247.725 3.961 20 0 BHADRN Cc1ccoc1CNc1ccc2c(c1)CCC2 ZINC000135156916 358823022 /nfs/dbraw/zinc/82/30/22/358823022.db2.gz FHZQQLBUNQULSC-UHFFFAOYSA-N 0 0 227.307 3.689 20 0 BHADRN Cc1ccoc1CNc1ccc2oc(C)nc2c1 ZINC000135157100 358823236 /nfs/dbraw/zinc/82/32/36/358823236.db2.gz WLWRJHXRKKFDSH-UHFFFAOYSA-N 0 0 242.278 3.650 20 0 BHADRN Cc1cc([C@H](C)NCc2occc2C)c(C)o1 ZINC000135166176 178252000 /nfs/dbraw/zinc/25/20/00/178252000.db2.gz YZYUWJLVLQKADX-NSHDSACASA-N 0 0 233.311 3.649 20 0 BHADRN Cc1cc([C@@H](C)NCc2occc2C)c(C)o1 ZINC000135166195 178229402 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DWEDNLAEACEFET-STQMWFEESA-N 0 0 246.354 3.708 20 0 BHADRN Cc1ccc(C)c(NC(=O)N2[C@H](C)CC[C@H]2C)c1 ZINC000135264567 384395958 /nfs/dbraw/zinc/39/59/58/384395958.db2.gz DWEDNLAEACEFET-CHWSQXEVSA-N 0 0 246.354 3.708 20 0 BHADRN Cc1cccc(NC(=O)N2[C@H](C)CC[C@@H]2C)c1C ZINC000135267323 384405499 /nfs/dbraw/zinc/40/54/99/384405499.db2.gz PYYULVVKDUQHAN-TXEJJXNPSA-N 0 0 246.354 3.708 20 0 BHADRN Cc1cccc(NC(=O)N2[C@@H](C)CC[C@@H]2C)c1C ZINC000135267345 384405461 /nfs/dbraw/zinc/40/54/61/384405461.db2.gz PYYULVVKDUQHAN-RYUDHWBXSA-N 0 0 246.354 3.708 20 0 BHADRN Cc1cccc(NC(=O)N2[C@H](C)CC[C@H]2C)c1C ZINC000135267368 384405524 /nfs/dbraw/zinc/40/55/24/384405524.db2.gz PYYULVVKDUQHAN-VXGBXAGGSA-N 0 0 246.354 3.708 20 0 BHADRN Cc1ccc(NC(=O)N2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC000135268379 325404336 /nfs/dbraw/zinc/40/43/36/325404336.db2.gz TWAMRFYYYGUEMR-BETUJISGSA-N 0 0 246.354 3.708 20 0 BHADRN Cc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2C)c(C)c1 ZINC000135268396 325404210 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/nfs/dbraw/zinc/41/27/41/325412741.db2.gz CWHNLYXRMZPOKY-UHFFFAOYSA-N 0 0 240.350 3.955 20 0 BHADRN Cc1ccncc1CNc1cnc2ccccc2c1 ZINC000135441748 364441239 /nfs/dbraw/zinc/44/12/39/364441239.db2.gz HTNRGHWUCSUWBB-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1cc(C)c(NCc2cnccc2C)c(C)c1 ZINC000135451855 358838331 /nfs/dbraw/zinc/83/83/31/358838331.db2.gz FTTOTAWZCUPHDT-UHFFFAOYSA-N 0 0 240.350 3.927 20 0 BHADRN Cc1ccc([C@@H](C)[NH2+]Cc2cnccc2C)cc1 ZINC000135452056 384445290 /nfs/dbraw/zinc/44/52/90/384445290.db2.gz GLKDFLLLFCVJNV-CQSZACIVSA-N 0 0 240.350 3.549 20 0 BHADRN Cc1ccc([C@H](C)[NH2+]Cc2cnccc2C)cc1 ZINC000135452068 384444809 /nfs/dbraw/zinc/44/48/09/384444809.db2.gz GLKDFLLLFCVJNV-AWEZNQCLSA-N 0 0 240.350 3.549 20 0 BHADRN Cc1ccncc1CNc1ccc2ncccc2c1 ZINC000135459339 364441315 /nfs/dbraw/zinc/44/13/15/364441315.db2.gz LFNUPALGOHCAJB-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccncc1CNc1cccc2ccncc21 ZINC000135466736 325413463 /nfs/dbraw/zinc/41/34/63/325413463.db2.gz BQSSCYWVLUSMEF-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1cc(F)ccc1-c1nc2ccccc2[nH]1 ZINC000135520188 325416740 /nfs/dbraw/zinc/41/67/40/325416740.db2.gz VKXNYTVZNUXQJY-UHFFFAOYSA-N 0 0 226.254 3.677 20 0 BHADRN Cc1cc(F)ccc1-c1nc2c(cccc2F)[nH]1 ZINC000135520374 388499589 /nfs/dbraw/zinc/49/95/89/388499589.db2.gz VRTGNTANMXUZDO-UHFFFAOYSA-N 0 0 244.244 3.817 20 0 BHADRN COCCCCNc1ccc(C(C)(C)C)cc1 ZINC000135533217 325416962 /nfs/dbraw/zinc/41/69/62/325416962.db2.gz MSIGCMYUXMJORS-UHFFFAOYSA-N 0 0 235.371 3.823 20 0 BHADRN COCCCCOc1cc(C(C)C)ccc1C ZINC000135533694 325417174 /nfs/dbraw/zinc/41/71/74/325417174.db2.gz OPMVNXRGBJMWSS-UHFFFAOYSA-N 0 0 236.355 3.924 20 0 BHADRN Cc1ccccc1[C@@H](C)SC1=NCCS1 ZINC000135539865 179323092 /nfs/dbraw/zinc/32/30/92/179323092.db2.gz QVWZAEUZCGMVML-SNVBAGLBSA-N 0 0 237.393 3.892 20 0 BHADRN Cc1ccccc1[C@H](C)SC1=NCCS1 ZINC000135539879 179340430 /nfs/dbraw/zinc/34/04/30/179340430.db2.gz QVWZAEUZCGMVML-JTQLQIEISA-N 0 0 237.393 3.892 20 0 BHADRN FCCCSc1ccc2ccccc2n1 ZINC000135559124 325417533 /nfs/dbraw/zinc/41/75/33/325417533.db2.gz CSGSTFUTHFOFCF-UHFFFAOYSA-N 0 0 221.300 3.687 20 0 BHADRN CCCOc1cccc(NCc2occc2C)c1 ZINC000135560988 388500310 /nfs/dbraw/zinc/50/03/10/388500310.db2.gz IVCUZMSLERMSMD-UHFFFAOYSA-N 0 0 245.322 3.989 20 0 BHADRN Cc1sc2ncnc(NC3CC(C)C3)c2c1C ZINC000135567238 134750674 /nfs/dbraw/zinc/75/06/74/134750674.db2.gz GROACMCVAJJITF-UHFFFAOYSA-N 0 0 247.367 3.519 20 0 BHADRN FCCCSc1nc2ccccc2s1 ZINC000135573029 582828574 /nfs/dbraw/zinc/82/85/74/582828574.db2.gz VIQYYRQIBOVADX-UHFFFAOYSA-N 0 0 227.329 3.748 20 0 BHADRN CC(C)(C)NC(=O)Nc1cccc(C(F)F)c1 ZINC000135629323 388503035 /nfs/dbraw/zinc/50/30/35/388503035.db2.gz MFNUXPGBMPHARL-UHFFFAOYSA-N 0 0 242.269 3.544 20 0 BHADRN c1ccc2nc(N[C@@H]3CCCSC3)ccc2c1 ZINC000135657715 386535938 /nfs/dbraw/zinc/53/59/38/386535938.db2.gz ZTOPEGMXMCVQSE-GFCCVEGCSA-N 0 0 244.363 3.542 20 0 BHADRN c1ccc2nc(N[C@H]3CCCSC3)ccc2c1 ZINC000135657752 386535371 /nfs/dbraw/zinc/53/53/71/386535371.db2.gz ZTOPEGMXMCVQSE-LBPRGKRZSA-N 0 0 244.363 3.542 20 0 BHADRN Cc1cnc(CSc2ccc(F)cc2)s1 ZINC000135665264 592030651 /nfs/dbraw/zinc/03/06/51/592030651.db2.gz ATDZGUMEWJRHRK-UHFFFAOYSA-N 0 0 239.340 3.883 20 0 BHADRN Cc1cnc(CSc2ccccc2F)s1 ZINC000135665305 592030163 /nfs/dbraw/zinc/03/01/63/592030163.db2.gz LWTTTWVJKLDWRV-UHFFFAOYSA-N 0 0 239.340 3.883 20 0 BHADRN Cc1cnc(CSc2cccc(F)c2)s1 ZINC000135666177 592030287 /nfs/dbraw/zinc/03/02/87/592030287.db2.gz IOAYXWXPRNJCSD-UHFFFAOYSA-N 0 0 239.340 3.883 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(F)cc1C ZINC000135666752 134753931 /nfs/dbraw/zinc/75/39/31/134753931.db2.gz MYDFXOVPOCYYQR-WCQYABFASA-N 0 0 249.329 3.537 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(F)cc1C ZINC000135666789 134754042 /nfs/dbraw/zinc/75/40/42/134754042.db2.gz MYDFXOVPOCYYQR-AAEUAGOBSA-N 0 0 249.329 3.537 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(F)cc1C ZINC000135666822 134753817 /nfs/dbraw/zinc/75/38/17/134753817.db2.gz MYDFXOVPOCYYQR-DGCLKSJQSA-N 0 0 249.329 3.537 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(F)cc1C ZINC000135666854 358847562 /nfs/dbraw/zinc/84/75/62/358847562.db2.gz MYDFXOVPOCYYQR-YPMHNXCESA-N 0 0 249.329 3.537 20 0 BHADRN CCCCCC[C@@H](C)NC(=S)NCCCC ZINC000135739467 711660207 /nfs/dbraw/zinc/66/02/07/711660207.db2.gz UXHWEEWJCCSFAU-GFCCVEGCSA-N 0 0 244.448 3.610 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000135752756 345453544 /nfs/dbraw/zinc/45/35/44/345453544.db2.gz BSJFWSMKEACQPT-NSHDSACASA-N 0 0 227.348 3.576 20 0 BHADRN CCC(=O)c1cccc(NCc2ccccc2)c1 ZINC000135764195 325426189 /nfs/dbraw/zinc/42/61/89/325426189.db2.gz OECXAPKZCFOLPV-UHFFFAOYSA-N 0 0 239.318 3.891 20 0 BHADRN Fc1cccc(N[C@@H](c2ccccc2)C2CC2)n1 ZINC000135769593 181001590 /nfs/dbraw/zinc/00/15/90/181001590.db2.gz UVDRGTPFMNZNPN-HNNXBMFYSA-N 0 0 242.297 3.784 20 0 BHADRN Fc1cccc(N[C@H](c2ccccc2)C2CC2)n1 ZINC000135769625 181001803 /nfs/dbraw/zinc/00/18/03/181001803.db2.gz UVDRGTPFMNZNPN-OAHLLOKOSA-N 0 0 242.297 3.784 20 0 BHADRN CSCCOc1ccc(C(C)C)cc1 ZINC000135783110 325426581 /nfs/dbraw/zinc/42/65/81/325426581.db2.gz MWLYZJYTBOFVRS-UHFFFAOYSA-N 0 0 210.342 3.552 20 0 BHADRN Cc1ncccc1NCc1cncc2ccccc21 ZINC000135784244 592054755 /nfs/dbraw/zinc/05/47/55/592054755.db2.gz DLJUILPVJFEQEO-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccncc1NCc1cncc2ccccc21 ZINC000135784334 592054732 /nfs/dbraw/zinc/05/47/32/592054732.db2.gz IQMIHMZWMDFMJG-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN O=C(CC1CCCCCC1)N1CCCCCC1 ZINC000135798266 325427169 /nfs/dbraw/zinc/42/71/69/325427169.db2.gz LWKITRVASMUHRW-UHFFFAOYSA-N 0 0 237.387 3.750 20 0 BHADRN O=C(CC1CCCCCC1)NC1CCCCC1 ZINC000135798411 325427024 /nfs/dbraw/zinc/42/70/24/325427024.db2.gz YTVUQWNEJMPXNG-UHFFFAOYSA-N 0 0 237.387 3.796 20 0 BHADRN O=C(CC1CCCCCC1)Nc1ccccc1 ZINC000135798451 325427058 /nfs/dbraw/zinc/42/70/58/325427058.db2.gz RQLNSIHCVMKZHZ-UHFFFAOYSA-N 0 0 231.339 3.986 20 0 BHADRN CC1(C)CCC[C@@H]1NC(=S)Nc1ccccc1 ZINC000135800898 592058670 /nfs/dbraw/zinc/05/86/70/592058670.db2.gz UMRZWICSJHMPRR-LBPRGKRZSA-N 0 0 248.395 3.552 20 0 BHADRN CC1(C)CCC[C@H]1NC(=S)Nc1ccccc1 ZINC000135800931 592058651 /nfs/dbraw/zinc/05/86/51/592058651.db2.gz UMRZWICSJHMPRR-GFCCVEGCSA-N 0 0 248.395 3.552 20 0 BHADRN CCOc1ccc(N[C@@H](C)c2ccco2)cc1F ZINC000135801988 592058296 /nfs/dbraw/zinc/05/82/96/592058296.db2.gz NKEPMKHGZZZZIY-JTQLQIEISA-N 0 0 249.285 3.991 20 0 BHADRN CCOc1ccc(N[C@H](C)c2ccco2)cc1F ZINC000135802022 592058697 /nfs/dbraw/zinc/05/86/97/592058697.db2.gz NKEPMKHGZZZZIY-SNVBAGLBSA-N 0 0 249.285 3.991 20 0 BHADRN CCOc1ccc(N[C@@H](C)c2ccoc2)cc1F ZINC000135803654 592058786 /nfs/dbraw/zinc/05/87/86/592058786.db2.gz XPYJTBNBPXUDII-JTQLQIEISA-N 0 0 249.285 3.991 20 0 BHADRN CCOc1ccc(N[C@H](C)c2ccoc2)cc1F ZINC000135803703 592058597 /nfs/dbraw/zinc/05/85/97/592058597.db2.gz XPYJTBNBPXUDII-SNVBAGLBSA-N 0 0 249.285 3.991 20 0 BHADRN CCOc1ccc(N[C@@H](CC)C2CC2)cc1F ZINC000135804389 592058647 /nfs/dbraw/zinc/05/86/47/592058647.db2.gz BAWBLMZBFGPECK-ZDUSSCGKSA-N 0 0 237.318 3.825 20 0 BHADRN CCOc1ccc(N[C@H](CC)C2CC2)cc1F ZINC000135804426 592058718 /nfs/dbraw/zinc/05/87/18/592058718.db2.gz BAWBLMZBFGPECK-CYBMUJFWSA-N 0 0 237.318 3.825 20 0 BHADRN CCOc1ccc(NC(C2CC2)C2CC2)cc1F ZINC000135805919 592058466 /nfs/dbraw/zinc/05/84/66/592058466.db2.gz FMDCMEQEDUCSAD-UHFFFAOYSA-N 0 0 249.329 3.825 20 0 BHADRN C[C@@H](CNc1cc(C(F)(F)F)ccn1)C1CC1 ZINC000135814095 538117133 /nfs/dbraw/zinc/11/71/33/538117133.db2.gz ZMCCKHZYQYHSMH-QMMMGPOBSA-N 0 0 244.260 3.558 20 0 BHADRN C[C@H](CNc1cc(C(F)(F)F)ccn1)C1CC1 ZINC000135814136 538117123 /nfs/dbraw/zinc/11/71/23/538117123.db2.gz ZMCCKHZYQYHSMH-MRVPVSSYSA-N 0 0 244.260 3.558 20 0 BHADRN FC(F)(F)c1ccnc(NCCCC2CC2)c1 ZINC000135816739 388509343 /nfs/dbraw/zinc/50/93/43/388509343.db2.gz AGWUYQFRTQAMSJ-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN O=C(CC1CCCCCC1)Nc1ccc(O)cc1 ZINC000135831644 325428285 /nfs/dbraw/zinc/42/82/85/325428285.db2.gz PYGYYQKIAVLCFP-UHFFFAOYSA-N 0 0 247.338 3.691 20 0 BHADRN C[C@@H](OC(=O)C1CCC1)c1ccccc1Cl ZINC000135855857 592065211 /nfs/dbraw/zinc/06/52/11/592065211.db2.gz NFSQPPZJBWMNAX-SECBINFHSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1ccccc1C(=O)O[C@@H](C)c1ccccc1 ZINC000135893974 592077172 /nfs/dbraw/zinc/07/71/72/592077172.db2.gz DRDLXWWHURBCTN-ZDUSSCGKSA-N 0 0 240.302 3.913 20 0 BHADRN Cc1ccc(C(=O)O[C@@H](C)c2ccccc2)cc1 ZINC000135894042 592074584 /nfs/dbraw/zinc/07/45/84/592074584.db2.gz XXCJWPNCMOJHQG-ZDUSSCGKSA-N 0 0 240.302 3.913 20 0 BHADRN CC(C)c1cnc(N2CCCCCC2)s1 ZINC000135903436 388514424 /nfs/dbraw/zinc/51/44/24/388514424.db2.gz CXLRIMPSBDUDFL-UHFFFAOYSA-N 0 0 224.373 3.647 20 0 BHADRN CCCCCC(=O)Nc1cnc(Cl)cc1C ZINC000135911830 388514366 /nfs/dbraw/zinc/51/43/66/388514366.db2.gz ZPRKEPIARUFPBM-UHFFFAOYSA-N 0 0 240.734 3.562 20 0 BHADRN CC(C)C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000135914883 384470566 /nfs/dbraw/zinc/47/05/66/384470566.db2.gz MHMRUDIITJISGI-LLVKDONJSA-N 0 0 249.379 3.560 20 0 BHADRN CC(C)C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000135914918 384469232 /nfs/dbraw/zinc/46/92/32/384469232.db2.gz MHMRUDIITJISGI-NSHDSACASA-N 0 0 249.379 3.560 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)c1ccccc1 ZINC000135940842 711669326 /nfs/dbraw/zinc/66/93/26/711669326.db2.gz XUFMSNMYVZEWKS-ZDUSSCGKSA-N 0 0 240.302 3.913 20 0 BHADRN CC(=O)c1ccc(NCCCC(C)C)cc1 ZINC000135943388 325434171 /nfs/dbraw/zinc/43/41/71/325434171.db2.gz GYSFYEFVMGUXIW-UHFFFAOYSA-N 0 0 219.328 3.737 20 0 BHADRN CCC[C@@H](C)N(C)C(=S)Nc1ccccc1 ZINC000135980401 711673094 /nfs/dbraw/zinc/67/30/94/711673094.db2.gz MHKBQVQTASAFKI-LLVKDONJSA-N 0 0 236.384 3.504 20 0 BHADRN CCC[C@H](C)N(C)C(=S)Nc1ccccc1 ZINC000135980435 711673244 /nfs/dbraw/zinc/67/32/44/711673244.db2.gz MHKBQVQTASAFKI-NSHDSACASA-N 0 0 236.384 3.504 20 0 BHADRN CC(C)(C)CCNc1ncnc2sccc21 ZINC000135982728 134760469 /nfs/dbraw/zinc/76/04/69/134760469.db2.gz INXRAMZCRUJJNG-UHFFFAOYSA-N 0 0 235.356 3.539 20 0 BHADRN CC(C)(C)CCNc1ncnc2ccsc21 ZINC000135982979 358858480 /nfs/dbraw/zinc/85/84/80/358858480.db2.gz DEPWLWMVUSNNKT-UHFFFAOYSA-N 0 0 235.356 3.539 20 0 BHADRN CC(C)(C)CCNc1nc2ccccc2o1 ZINC000135983130 388517907 /nfs/dbraw/zinc/51/79/07/388517907.db2.gz XMQGGTUGYIBLAO-UHFFFAOYSA-N 0 0 218.300 3.676 20 0 BHADRN CCC(C)(C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000135983607 388518089 /nfs/dbraw/zinc/51/80/89/388518089.db2.gz GRNAOWDFCLENGK-UHFFFAOYSA-N 0 0 240.416 3.719 20 0 BHADRN CC(C)c1csc(Cc2cccc(F)c2)n1 ZINC000135991013 325436389 /nfs/dbraw/zinc/43/63/89/325436389.db2.gz XODGJRHBIRSXAP-UHFFFAOYSA-N 0 0 235.327 3.996 20 0 BHADRN CCCc1csc(Cc2cccc(F)c2)n1 ZINC000135991305 325436335 /nfs/dbraw/zinc/43/63/35/325436335.db2.gz AGBLTNXRDISMGE-UHFFFAOYSA-N 0 0 235.327 3.826 20 0 BHADRN Fc1cccc(Cc2nc(C3CC3)cs2)c1 ZINC000135991363 323030760 /nfs/dbraw/zinc/03/07/60/323030760.db2.gz XOGVUDODRRPSLQ-UHFFFAOYSA-N 0 0 233.311 3.750 20 0 BHADRN Cc1cc(-c2nc3cc[nH]cc-3n2)ccc1Cl ZINC000135992503 323030690 /nfs/dbraw/zinc/03/06/90/323030690.db2.gz PZTMKKSEIVOYCD-UHFFFAOYSA-N 0 0 243.697 3.587 20 0 BHADRN CCC[C@H](C(=O)O[C@@H](C)c1cccnc1)C(C)C ZINC000136021634 592090640 /nfs/dbraw/zinc/09/06/40/592090640.db2.gz JAGVYPAWAIEWLO-JSGCOSHPSA-N 0 0 249.354 3.758 20 0 BHADRN CCC[C@@H](C(=O)O[C@@H](C)c1cccnc1)C(C)C ZINC000136021669 592090772 /nfs/dbraw/zinc/09/07/72/592090772.db2.gz JAGVYPAWAIEWLO-GXTWGEPZSA-N 0 0 249.354 3.758 20 0 BHADRN CCC[C@H](C(=O)O[C@H](C)c1cccnc1)C(C)C ZINC000136021697 592090708 /nfs/dbraw/zinc/09/07/08/592090708.db2.gz JAGVYPAWAIEWLO-OCCSQVGLSA-N 0 0 249.354 3.758 20 0 BHADRN CCC[C@@H](C(=O)O[C@H](C)c1cccnc1)C(C)C ZINC000136021733 592090690 /nfs/dbraw/zinc/09/06/90/592090690.db2.gz JAGVYPAWAIEWLO-TZMCWYRMSA-N 0 0 249.354 3.758 20 0 BHADRN CCC[C@H](C(=O)OCc1cccc(C)n1)C(C)C ZINC000136035891 592091262 /nfs/dbraw/zinc/09/12/62/592091262.db2.gz GDKSXLKXVRMWIJ-AWEZNQCLSA-N 0 0 249.354 3.506 20 0 BHADRN CCC[C@@H](C(=O)OCc1cccc(C)n1)C(C)C ZINC000136035925 592091241 /nfs/dbraw/zinc/09/12/41/592091241.db2.gz GDKSXLKXVRMWIJ-CQSZACIVSA-N 0 0 249.354 3.506 20 0 BHADRN CCc1ccc(CC)c(NC(=O)NC(C)(C)C)c1 ZINC000136077536 388520421 /nfs/dbraw/zinc/52/04/21/388520421.db2.gz CNOGZLAGRXQNEG-UHFFFAOYSA-N 0 0 248.370 3.731 20 0 BHADRN CC(=O)c1ccc(NCc2ccsc2)cc1 ZINC000136087228 711684221 /nfs/dbraw/zinc/68/42/21/711684221.db2.gz IKJNAEPIUPIZCZ-UHFFFAOYSA-N 0 0 231.320 3.563 20 0 BHADRN CC(C)c1ccc(C(=O)OCC(F)(F)F)cc1 ZINC000136097783 592093482 /nfs/dbraw/zinc/09/34/82/592093482.db2.gz WLEAAZVOXIHYIL-UHFFFAOYSA-N 0 0 246.228 3.529 20 0 BHADRN Cc1cccc(NC(=O)NC(C)(C)C)c1Cl ZINC000136102078 179133947 /nfs/dbraw/zinc/13/39/47/179133947.db2.gz LAMFOQCRVRWAOZ-UHFFFAOYSA-N 0 0 240.734 3.568 20 0 BHADRN CC(C)(C)c1csc(-c2ccccn2)n1 ZINC000136117142 219966462 /nfs/dbraw/zinc/96/64/62/219966462.db2.gz HMRUYTNNQQOPEC-UHFFFAOYSA-N 0 0 218.325 3.503 20 0 BHADRN CCSCCCOc1ccc(Cl)cc1 ZINC000136126248 345876419 /nfs/dbraw/zinc/87/64/19/345876419.db2.gz NHIHCOCQPZMOGP-UHFFFAOYSA-N 0 0 230.760 3.862 20 0 BHADRN O=C(OC1CCCCC1)C1CCC(F)(F)CC1 ZINC000136172198 592099812 /nfs/dbraw/zinc/09/98/12/592099812.db2.gz RJQDITZYPZSURI-UHFFFAOYSA-N 0 0 246.297 3.688 20 0 BHADRN C[C@@H](CNc1nccc2sccc21)C1CC1 ZINC000136190600 345486115 /nfs/dbraw/zinc/48/61/15/345486115.db2.gz KMAMTYULFDGQMC-VIFPVBQESA-N 0 0 232.352 3.754 20 0 BHADRN C[C@H](CNc1nccc2sccc21)C1CC1 ZINC000136190644 345956706 /nfs/dbraw/zinc/95/67/06/345956706.db2.gz KMAMTYULFDGQMC-SECBINFHSA-N 0 0 232.352 3.754 20 0 BHADRN C[C@@H](CNc1nc2ccccc2s1)C1CC1 ZINC000136192672 345957339 /nfs/dbraw/zinc/95/73/39/345957339.db2.gz LWTKHYSUGSDPCO-VIFPVBQESA-N 0 0 232.352 3.754 20 0 BHADRN C[C@H](CNc1nc2ccccc2s1)C1CC1 ZINC000136192710 345957681 /nfs/dbraw/zinc/95/76/81/345957681.db2.gz LWTKHYSUGSDPCO-SECBINFHSA-N 0 0 232.352 3.754 20 0 BHADRN C[C@@H](CNc1ncc(Cl)cc1Cl)C1CC1 ZINC000136193130 345957769 /nfs/dbraw/zinc/95/77/69/345957769.db2.gz YFXUFLHZHYDLPV-ZETCQYMHSA-N 0 0 245.153 3.846 20 0 BHADRN C[C@H](CNc1ncc(Cl)cc1Cl)C1CC1 ZINC000136193158 345957619 /nfs/dbraw/zinc/95/76/19/345957619.db2.gz YFXUFLHZHYDLPV-SSDOTTSWSA-N 0 0 245.153 3.846 20 0 BHADRN CCC[C@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000136206663 345961654 /nfs/dbraw/zinc/96/16/54/345961654.db2.gz HQGQIUZIVXPAEY-JTQLQIEISA-N 0 0 240.416 3.719 20 0 BHADRN OCCCc1cccc(NCC2CCCCC2)c1 ZINC000136220325 388526648 /nfs/dbraw/zinc/52/66/48/388526648.db2.gz MGFGEAWHCPUINQ-UHFFFAOYSA-N 0 0 247.382 3.604 20 0 BHADRN OCCCc1cccc(NC2CCCCCC2)c1 ZINC000136222203 325446680 /nfs/dbraw/zinc/44/66/80/325446680.db2.gz WRAIJHHNWIYPEF-UHFFFAOYSA-N 0 0 247.382 3.746 20 0 BHADRN CC[C@@H](C)NC(=O)c1ccccc1C(C)(C)C ZINC000136223648 388526946 /nfs/dbraw/zinc/52/69/46/388526946.db2.gz HYTZSKUIOAVCPR-LLVKDONJSA-N 0 0 233.355 3.512 20 0 BHADRN CC[C@H](C)NC(=O)c1ccccc1C(C)(C)C ZINC000136223674 388527497 /nfs/dbraw/zinc/52/74/97/388527497.db2.gz HYTZSKUIOAVCPR-NSHDSACASA-N 0 0 233.355 3.512 20 0 BHADRN CC1CCC(Nc2cccc(CCCO)c2)CC1 ZINC000136225438 388527420 /nfs/dbraw/zinc/52/74/20/388527420.db2.gz FTGDOEJGZQGQQE-UHFFFAOYSA-N 0 0 247.382 3.602 20 0 BHADRN CN(CCCF)c1ccc2ccccc2c1 ZINC000136228621 592103026 /nfs/dbraw/zinc/10/30/26/592103026.db2.gz GTPRBCMDLYRIIW-UHFFFAOYSA-N 0 0 217.287 3.636 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2cccc(CCCO)c2)C1 ZINC000136252711 325447940 /nfs/dbraw/zinc/44/79/40/325447940.db2.gz XEPGLJFPMBDHBJ-HIFRSBDPSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@H]1CCC[C@H](Nc2cccc(CCCO)c2)C1 ZINC000136252742 388528217 /nfs/dbraw/zinc/52/82/17/388528217.db2.gz XEPGLJFPMBDHBJ-ZFWWWQNUSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2cccc(CCCO)c2)C1 ZINC000136252767 388528042 /nfs/dbraw/zinc/52/80/42/388528042.db2.gz XEPGLJFPMBDHBJ-UKRRQHHQSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2cccc(CCCO)c2)C1 ZINC000136252805 325447959 /nfs/dbraw/zinc/44/79/59/325447959.db2.gz XEPGLJFPMBDHBJ-DZGCQCFKSA-N 0 0 247.382 3.602 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1cccc(CCCO)c1 ZINC000136254160 325447989 /nfs/dbraw/zinc/44/79/89/325447989.db2.gz LZYAITIQAHHHQA-HNNXBMFYSA-N 0 0 247.382 3.602 20 0 BHADRN CC1(C)CCC[C@H]1Nc1cccc(CCCO)c1 ZINC000136254207 387398675 /nfs/dbraw/zinc/39/86/75/387398675.db2.gz LZYAITIQAHHHQA-OAHLLOKOSA-N 0 0 247.382 3.602 20 0 BHADRN CCCC(CCC)Nc1cccc(CCCO)c1 ZINC000136254503 388528198 /nfs/dbraw/zinc/52/81/98/388528198.db2.gz NIBGQYPIWPVQSK-UHFFFAOYSA-N 0 0 249.398 3.992 20 0 BHADRN CCCCC[C@@H](C)Nc1cccc(CCCO)c1 ZINC000136255042 592103931 /nfs/dbraw/zinc/10/39/31/592103931.db2.gz ZTQKVXHLWFZAQO-CQSZACIVSA-N 0 0 249.398 3.992 20 0 BHADRN CCCCC[C@H](C)Nc1cccc(CCCO)c1 ZINC000136255082 592104191 /nfs/dbraw/zinc/10/41/91/592104191.db2.gz ZTQKVXHLWFZAQO-AWEZNQCLSA-N 0 0 249.398 3.992 20 0 BHADRN CCCCCN(C(=S)NCCCC)C(C)C ZINC000136258626 711647388 /nfs/dbraw/zinc/64/73/88/711647388.db2.gz YKZZEYPOSOAEFC-UHFFFAOYSA-N 0 0 244.448 3.562 20 0 BHADRN CCCC[C@@H](CC)Nc1cccc(CCCO)c1 ZINC000136260270 388527745 /nfs/dbraw/zinc/52/77/45/388527745.db2.gz QJMNZVRODQRPLJ-OAHLLOKOSA-N 0 0 249.398 3.992 20 0 BHADRN CCCC[C@H](CC)Nc1cccc(CCCO)c1 ZINC000136260309 325448164 /nfs/dbraw/zinc/44/81/64/325448164.db2.gz QJMNZVRODQRPLJ-HNNXBMFYSA-N 0 0 249.398 3.992 20 0 BHADRN C[C@H](Nc1cccc(CCCO)c1)C1CCCC1 ZINC000136261400 388529422 /nfs/dbraw/zinc/52/94/22/388529422.db2.gz BPXVJZOUXTWHSA-ZDUSSCGKSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@@H](Nc1cccc(CCCO)c1)C1CCCC1 ZINC000136261438 388529610 /nfs/dbraw/zinc/52/96/10/388529610.db2.gz BPXVJZOUXTWHSA-CYBMUJFWSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Nc1cccc(CCCO)c1 ZINC000136262125 388529301 /nfs/dbraw/zinc/52/93/01/388529301.db2.gz FEARPWQVSWYRQS-CJNGLKHVSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@H]1CCCC[C@@H]1Nc1cccc(CCCO)c1 ZINC000136262166 388529024 /nfs/dbraw/zinc/52/90/24/388529024.db2.gz FEARPWQVSWYRQS-BBRMVZONSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@@H]1CCCC[C@H]1Nc1cccc(CCCO)c1 ZINC000136262204 388528897 /nfs/dbraw/zinc/52/88/97/388528897.db2.gz FEARPWQVSWYRQS-CZUORRHYSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@H]1CCCC[C@H]1Nc1cccc(CCCO)c1 ZINC000136262248 388529640 /nfs/dbraw/zinc/52/96/40/388529640.db2.gz FEARPWQVSWYRQS-XJKSGUPXSA-N 0 0 247.382 3.602 20 0 BHADRN CC(C)CC[C@@H](C)Nc1cccc(CCCO)c1 ZINC000136264615 388529137 /nfs/dbraw/zinc/52/91/37/388529137.db2.gz LHIRYAPXQUGRIO-CQSZACIVSA-N 0 0 249.398 3.848 20 0 BHADRN CC(C)CC[C@H](C)Nc1cccc(CCCO)c1 ZINC000136264661 388529312 /nfs/dbraw/zinc/52/93/12/388529312.db2.gz LHIRYAPXQUGRIO-AWEZNQCLSA-N 0 0 249.398 3.848 20 0 BHADRN CCSCCCOc1ccccc1C ZINC000136288905 388529353 /nfs/dbraw/zinc/52/93/53/388529353.db2.gz IHLFIUASHNCKIX-UHFFFAOYSA-N 0 0 210.342 3.517 20 0 BHADRN CCSCCCOc1cccc(Cl)c1 ZINC000136288953 388529375 /nfs/dbraw/zinc/52/93/75/388529375.db2.gz XLWZTSKONXCBRU-UHFFFAOYSA-N 0 0 230.760 3.862 20 0 BHADRN CCC(=O)O[C@H](C)c1ccc2ccccc2c1 ZINC000136290784 711695736 /nfs/dbraw/zinc/69/57/36/711695736.db2.gz RJJVAXWZSXXGEN-LLVKDONJSA-N 0 0 228.291 3.854 20 0 BHADRN CCC[C@@H](CC)NC(=S)Nc1ccccc1 ZINC000136295989 592105348 /nfs/dbraw/zinc/10/53/48/592105348.db2.gz BIQAOEIHJWIRTL-LLVKDONJSA-N 0 0 236.384 3.552 20 0 BHADRN CCC[C@H](CC)NC(=S)Nc1ccccc1 ZINC000136296032 592104845 /nfs/dbraw/zinc/10/48/45/592104845.db2.gz BIQAOEIHJWIRTL-NSHDSACASA-N 0 0 236.384 3.552 20 0 BHADRN CCCCCC(=O)OCc1ccc(C)cc1 ZINC000136314388 585015735 /nfs/dbraw/zinc/01/57/35/585015735.db2.gz WVJPMMIQKARWPK-UHFFFAOYSA-N 0 0 220.312 3.619 20 0 BHADRN CC(C)(C)c1noc(C2CCC(F)(F)CC2)n1 ZINC000136328206 325450054 /nfs/dbraw/zinc/45/00/54/325450054.db2.gz ZKIQLIVMKGVGLL-UHFFFAOYSA-N 0 0 244.285 3.660 20 0 BHADRN CC(C)(C)c1ccccc1C(=O)NC1CCCC1 ZINC000136369562 388532081 /nfs/dbraw/zinc/53/20/81/388532081.db2.gz GCBFPWDQJZGJBH-UHFFFAOYSA-N 0 0 245.366 3.657 20 0 BHADRN CCC(CC)NC(=O)CCc1cc(C)cc(C)c1 ZINC000136374539 325452335 /nfs/dbraw/zinc/45/23/35/325452335.db2.gz DKUAPVXEKFPBAS-UHFFFAOYSA-N 0 0 247.382 3.541 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1cccc(Cl)n1 ZINC000136390793 592109752 /nfs/dbraw/zinc/10/97/52/592109752.db2.gz LKKXSFFBQPBJEQ-VHSXEESVSA-N 0 0 224.735 3.502 20 0 BHADRN CC(C)Cc1noc(C2CCC(F)(F)CC2)n1 ZINC000136390821 345813093 /nfs/dbraw/zinc/81/30/93/345813093.db2.gz BOWINHKKMDKEAT-UHFFFAOYSA-N 0 0 244.285 3.561 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1cccc(Cl)n1 ZINC000136390826 592109750 /nfs/dbraw/zinc/10/97/50/592109750.db2.gz LKKXSFFBQPBJEQ-UWVGGRQHSA-N 0 0 224.735 3.502 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1cccc(Cl)n1 ZINC000136390862 592110101 /nfs/dbraw/zinc/11/01/01/592110101.db2.gz LKKXSFFBQPBJEQ-NXEZZACHSA-N 0 0 224.735 3.502 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1cccc(Cl)n1 ZINC000136390910 592109523 /nfs/dbraw/zinc/10/95/23/592109523.db2.gz LKKXSFFBQPBJEQ-ZJUUUORDSA-N 0 0 224.735 3.502 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1nc(Cl)cs1 ZINC000136391114 346206897 /nfs/dbraw/zinc/20/68/97/346206897.db2.gz ZJQDXUMRIWMTTR-JGVFFNPUSA-N 0 0 230.764 3.564 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1nc(Cl)cs1 ZINC000136391157 345509065 /nfs/dbraw/zinc/50/90/65/345509065.db2.gz ZJQDXUMRIWMTTR-YUMQZZPRSA-N 0 0 230.764 3.564 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1nc(Cl)cs1 ZINC000136391201 345508840 /nfs/dbraw/zinc/50/88/40/345508840.db2.gz ZJQDXUMRIWMTTR-HTQZYQBOSA-N 0 0 230.764 3.564 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1nc(Cl)cs1 ZINC000136391239 346206962 /nfs/dbraw/zinc/20/69/62/346206962.db2.gz ZJQDXUMRIWMTTR-SFYZADRCSA-N 0 0 230.764 3.564 20 0 BHADRN c1ccc2c(c1)ccnc2N[C@@H]1CCCSC1 ZINC000136443887 346219461 /nfs/dbraw/zinc/21/94/61/346219461.db2.gz XUGBLFHBKKVXMA-GFCCVEGCSA-N 0 0 244.363 3.542 20 0 BHADRN c1ccc2c(c1)ccnc2N[C@H]1CCCSC1 ZINC000136443932 346219556 /nfs/dbraw/zinc/21/95/56/346219556.db2.gz XUGBLFHBKKVXMA-LBPRGKRZSA-N 0 0 244.363 3.542 20 0 BHADRN CCCCCNC(=O)CC[C@@H](C)c1ccccc1 ZINC000136450400 325454975 /nfs/dbraw/zinc/45/49/75/325454975.db2.gz CUKVYLRTTOHACY-CQSZACIVSA-N 0 0 247.382 3.877 20 0 BHADRN CCCCCNC(=O)CC[C@H](C)c1ccccc1 ZINC000136450437 325454815 /nfs/dbraw/zinc/45/48/15/325454815.db2.gz CUKVYLRTTOHACY-AWEZNQCLSA-N 0 0 247.382 3.877 20 0 BHADRN C/C(=C/c1ccc(Cl)cc1)c1nc(C)no1 ZINC000136464254 325455228 /nfs/dbraw/zinc/45/52/28/325455228.db2.gz VFTFAFHPUVKWGB-FPLPWBNLSA-N 0 0 234.686 3.592 20 0 BHADRN CC(C)CCNC(=O)CC[C@@H](C)c1ccccc1 ZINC000136474771 325457196 /nfs/dbraw/zinc/45/71/96/325457196.db2.gz RHKPAAJBISQFDY-CQSZACIVSA-N 0 0 247.382 3.733 20 0 BHADRN CC(C)CCNC(=O)CC[C@H](C)c1ccccc1 ZINC000136474813 388538723 /nfs/dbraw/zinc/53/87/23/388538723.db2.gz RHKPAAJBISQFDY-AWEZNQCLSA-N 0 0 247.382 3.733 20 0 BHADRN CC(C)CCc1csc([C@@H]2CCCO2)n1 ZINC000136480132 388538487 /nfs/dbraw/zinc/53/84/87/388538487.db2.gz SHSCKHYZTKWAAW-NSHDSACASA-N 0 0 225.357 3.583 20 0 BHADRN CC(C)CCc1csc([C@H]2CCCO2)n1 ZINC000136480166 325457715 /nfs/dbraw/zinc/45/77/15/325457715.db2.gz SHSCKHYZTKWAAW-LLVKDONJSA-N 0 0 225.357 3.583 20 0 BHADRN Fc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1 ZINC000136480384 384496205 /nfs/dbraw/zinc/49/62/05/384496205.db2.gz RYYJZNOHVKAYMP-LBPRGKRZSA-N 0 0 249.310 3.801 20 0 BHADRN Fc1ccc(-c2csc([C@H]3CCCO3)n2)cc1 ZINC000136480424 384495860 /nfs/dbraw/zinc/49/58/60/384495860.db2.gz RYYJZNOHVKAYMP-GFCCVEGCSA-N 0 0 249.310 3.801 20 0 BHADRN Fc1ccccc1-c1csc([C@@H]2CCCO2)n1 ZINC000136480845 181009657 /nfs/dbraw/zinc/00/96/57/181009657.db2.gz NSCGYWPMVLFJGW-LBPRGKRZSA-N 0 0 249.310 3.801 20 0 BHADRN Fc1ccccc1-c1csc([C@H]2CCCO2)n1 ZINC000136480890 181009604 /nfs/dbraw/zinc/00/96/04/181009604.db2.gz NSCGYWPMVLFJGW-GFCCVEGCSA-N 0 0 249.310 3.801 20 0 BHADRN Cc1ccccc1-c1csc([C@@H]2CCCO2)n1 ZINC000136488014 592139827 /nfs/dbraw/zinc/13/98/27/592139827.db2.gz WAQYFKXZPLBIQX-ZDUSSCGKSA-N 0 0 245.347 3.970 20 0 BHADRN Cc1ccccc1-c1csc([C@H]2CCCO2)n1 ZINC000136488045 592139963 /nfs/dbraw/zinc/13/99/63/592139963.db2.gz WAQYFKXZPLBIQX-CYBMUJFWSA-N 0 0 245.347 3.970 20 0 BHADRN Cc1nc([C@@H]2CCCO2)sc1-c1ccccc1 ZINC000136488920 325457719 /nfs/dbraw/zinc/45/77/19/325457719.db2.gz HPWDRGNBZGDYMW-LBPRGKRZSA-N 0 0 245.347 3.970 20 0 BHADRN Cc1nc([C@H]2CCCO2)sc1-c1ccccc1 ZINC000136488955 388538145 /nfs/dbraw/zinc/53/81/45/388538145.db2.gz HPWDRGNBZGDYMW-GFCCVEGCSA-N 0 0 245.347 3.970 20 0 BHADRN Cc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1 ZINC000136489411 388538409 /nfs/dbraw/zinc/53/84/09/388538409.db2.gz DGWHYHXLGJXUIL-ZDUSSCGKSA-N 0 0 245.347 3.970 20 0 BHADRN Cc1ccc(-c2csc([C@H]3CCCO3)n2)cc1 ZINC000136489451 388538690 /nfs/dbraw/zinc/53/86/90/388538690.db2.gz DGWHYHXLGJXUIL-CYBMUJFWSA-N 0 0 245.347 3.970 20 0 BHADRN C[C@@H](CCC(=O)NC1CCCC1)c1ccccc1 ZINC000136511645 398342475 /nfs/dbraw/zinc/34/24/75/398342475.db2.gz XSEDGSRFOMUOKR-ZDUSSCGKSA-N 0 0 245.366 3.629 20 0 BHADRN C[C@H](CCC(=O)NC1CCCC1)c1ccccc1 ZINC000136511687 398342507 /nfs/dbraw/zinc/34/25/07/398342507.db2.gz XSEDGSRFOMUOKR-CYBMUJFWSA-N 0 0 245.366 3.629 20 0 BHADRN Cc1ncccc1CSc1ccccc1 ZINC000136521451 491060341 /nfs/dbraw/zinc/06/03/41/491060341.db2.gz KKDDTKJFBPVUHX-UHFFFAOYSA-N 0 0 215.321 3.682 20 0 BHADRN CCC(C)(C)NC(=O)CC[C@@H](C)c1ccccc1 ZINC000136530111 325459019 /nfs/dbraw/zinc/45/90/19/325459019.db2.gz FWQABAUXKXGCSS-CYBMUJFWSA-N 0 0 247.382 3.875 20 0 BHADRN CCC(C)(C)NC(=O)CC[C@H](C)c1ccccc1 ZINC000136530157 325459184 /nfs/dbraw/zinc/45/91/84/325459184.db2.gz FWQABAUXKXGCSS-ZDUSSCGKSA-N 0 0 247.382 3.875 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccccc1 ZINC000136533039 364472544 /nfs/dbraw/zinc/47/25/44/364472544.db2.gz DJECEKPWCPDKPF-JSGCOSHPSA-N 0 0 245.366 3.690 20 0 BHADRN Cc1cc(C(=O)N2CCC[C@@H]2CC(C)C)oc1C ZINC000136555219 325459957 /nfs/dbraw/zinc/45/99/57/325459957.db2.gz NIXVWFMGHVLFKP-CYBMUJFWSA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C(=O)N2CCC[C@H]2CC(C)C)oc1C ZINC000136555261 325460012 /nfs/dbraw/zinc/46/00/12/325460012.db2.gz NIXVWFMGHVLFKP-ZDUSSCGKSA-N 0 0 249.354 3.547 20 0 BHADRN C[C@H](NCC(F)F)c1ccc2ccccc2c1 ZINC000136568873 491061067 /nfs/dbraw/zinc/06/10/67/491061067.db2.gz STSLHHVSJZPKOI-JTQLQIEISA-N 0 0 235.277 3.756 20 0 BHADRN C[C@@H](NCC(F)F)c1ccc2ccccc2c1 ZINC000136568914 491061071 /nfs/dbraw/zinc/06/10/71/491061071.db2.gz STSLHHVSJZPKOI-SNVBAGLBSA-N 0 0 235.277 3.756 20 0 BHADRN Cc1c2ccccc2oc1[C@@H](C)NCC(F)F ZINC000136569296 491061069 /nfs/dbraw/zinc/06/10/69/491061069.db2.gz MFLJUGIBRIYEFT-SECBINFHSA-N 0 0 239.265 3.657 20 0 BHADRN Cc1c2ccccc2oc1[C@H](C)NCC(F)F ZINC000136569335 491061065 /nfs/dbraw/zinc/06/10/65/491061065.db2.gz MFLJUGIBRIYEFT-VIFPVBQESA-N 0 0 239.265 3.657 20 0 BHADRN CC(C)Cc1ccc([C@H](C)NCC(F)F)cc1 ZINC000136573457 491061210 /nfs/dbraw/zinc/06/12/10/491061210.db2.gz VVZABSLKCGDNLT-NSHDSACASA-N 0 0 241.325 3.801 20 0 BHADRN FC(F)CN[C@H]1CCCC[C@H]1c1ccccc1 ZINC000136575854 388541140 /nfs/dbraw/zinc/54/11/40/388541140.db2.gz MHMFAGOYEBPEOA-STQMWFEESA-N 0 0 239.309 3.568 20 0 BHADRN FC(F)CN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000136575906 388540362 /nfs/dbraw/zinc/54/03/62/388540362.db2.gz MHMFAGOYEBPEOA-OLZOCXBDSA-N 0 0 239.309 3.568 20 0 BHADRN FC(F)CN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000136575945 388540366 /nfs/dbraw/zinc/54/03/66/388540366.db2.gz MHMFAGOYEBPEOA-QWHCGFSZSA-N 0 0 239.309 3.568 20 0 BHADRN FC(F)CN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000136576000 387580676 /nfs/dbraw/zinc/58/06/76/387580676.db2.gz MHMFAGOYEBPEOA-CHWSQXEVSA-N 0 0 239.309 3.568 20 0 BHADRN C[C@H](NCC(F)F)c1cccc2ccccc21 ZINC000136578651 491061223 /nfs/dbraw/zinc/06/12/23/491061223.db2.gz TZUZAHASXVAMFK-JTQLQIEISA-N 0 0 235.277 3.756 20 0 BHADRN C[C@@H](NCC(F)F)c1cccc2ccccc21 ZINC000136578689 491061214 /nfs/dbraw/zinc/06/12/14/491061214.db2.gz TZUZAHASXVAMFK-SNVBAGLBSA-N 0 0 235.277 3.756 20 0 BHADRN C[C@@H](CC(C)(C)c1ccccc1)NCC(F)F ZINC000136581556 388542104 /nfs/dbraw/zinc/54/21/04/388542104.db2.gz RWSXCTNQJFPGOJ-NSHDSACASA-N 0 0 241.325 3.598 20 0 BHADRN C[C@H](CC(C)(C)c1ccccc1)NCC(F)F ZINC000136581595 388541956 /nfs/dbraw/zinc/54/19/56/388541956.db2.gz RWSXCTNQJFPGOJ-LLVKDONJSA-N 0 0 241.325 3.598 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)C(C)C ZINC000136746445 592150254 /nfs/dbraw/zinc/15/02/54/592150254.db2.gz SRZQEVJPTLIAFN-GFCCVEGCSA-N 0 0 220.312 3.564 20 0 BHADRN C[C@H](NC(=O)c1ccccc1C(C)(C)C)C1CC1 ZINC000136854912 388550759 /nfs/dbraw/zinc/55/07/59/388550759.db2.gz DXCIJPCJBNHBHZ-NSHDSACASA-N 0 0 245.366 3.512 20 0 BHADRN C[C@@H](NC(=O)c1ccccc1C(C)(C)C)C1CC1 ZINC000136854958 325471025 /nfs/dbraw/zinc/47/10/25/325471025.db2.gz DXCIJPCJBNHBHZ-LLVKDONJSA-N 0 0 245.366 3.512 20 0 BHADRN CC(C)(C)c1cccc(Oc2cc(F)ncn2)c1 ZINC000136877184 592151849 /nfs/dbraw/zinc/15/18/49/592151849.db2.gz NVQXQCBIHWLHHO-UHFFFAOYSA-N 0 0 246.285 3.706 20 0 BHADRN Cc1ccc(C(C)C)cc1Oc1cc(F)ncn1 ZINC000136877617 632560353 /nfs/dbraw/zinc/56/03/53/632560353.db2.gz GQJFVOMTSSMIPM-UHFFFAOYSA-N 0 0 246.285 3.840 20 0 BHADRN CCCCOc1ccc(C(F)(F)F)cc1 ZINC000137018725 345829964 /nfs/dbraw/zinc/82/99/64/345829964.db2.gz BRQXOVNAOBQYQB-UHFFFAOYSA-N 0 0 218.218 3.884 20 0 BHADRN CCc1ccccc1NC(=O)NC(C)(C)CC ZINC000137036275 388554875 /nfs/dbraw/zinc/55/48/75/388554875.db2.gz BCKVBGCQUBLMJT-UHFFFAOYSA-N 0 0 234.343 3.559 20 0 BHADRN OCCSC(c1ccccc1)c1ccccc1 ZINC000137102476 345579435 /nfs/dbraw/zinc/57/94/35/345579435.db2.gz YBUBKZYKDXHLFJ-UHFFFAOYSA-N 0 0 244.359 3.502 20 0 BHADRN CCCCN(C)C(=O)CC[C@@H](C)c1ccccc1 ZINC000137159931 323870012 /nfs/dbraw/zinc/87/00/12/323870012.db2.gz QWIWEBVDNKZVND-CQSZACIVSA-N 0 0 247.382 3.829 20 0 BHADRN CCCCN(C)C(=O)CC[C@H](C)c1ccccc1 ZINC000137159974 388558781 /nfs/dbraw/zinc/55/87/81/388558781.db2.gz QWIWEBVDNKZVND-AWEZNQCLSA-N 0 0 247.382 3.829 20 0 BHADRN CCC(C)(C)NC(=O)CCc1cc(C)cc(C)c1 ZINC000137186034 325480614 /nfs/dbraw/zinc/48/06/14/325480614.db2.gz BBYIHEKGMVOFDZ-UHFFFAOYSA-N 0 0 247.382 3.541 20 0 BHADRN CCC[C@H](C(=O)N1CCC(CC)CC1)C(C)C ZINC000137205521 388558263 /nfs/dbraw/zinc/55/82/63/388558263.db2.gz BKEVJAZNJUZGHL-AWEZNQCLSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H](C(=O)N1CCC(CC)CC1)C(C)C ZINC000137205537 325480354 /nfs/dbraw/zinc/48/03/54/325480354.db2.gz BKEVJAZNJUZGHL-CQSZACIVSA-N 0 0 239.403 3.707 20 0 BHADRN O=[N+]([O-])c1ccccc1Nc1cccc(Cl)c1 ZINC000137284527 368389766 /nfs/dbraw/zinc/38/97/66/368389766.db2.gz RBBJOAWFOLCPHN-UHFFFAOYSA-N 0 0 248.669 3.992 20 0 BHADRN FCCCSc1nc2cc(Cl)ccc2o1 ZINC000137349252 325482935 /nfs/dbraw/zinc/48/29/35/325482935.db2.gz UHUFIUUWPYONSS-UHFFFAOYSA-N 0 0 245.706 3.933 20 0 BHADRN CCOC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000137380565 345843997 /nfs/dbraw/zinc/84/39/97/345843997.db2.gz KBRPYSHKVAEAEL-LSDHHAIUSA-N 0 0 240.302 3.506 20 0 BHADRN FC(F)COc1ccccc1-c1ccccc1 ZINC000137482611 491096802 /nfs/dbraw/zinc/09/68/02/491096802.db2.gz ZAUXZSBSHBOILW-UHFFFAOYSA-N 0 0 234.245 3.998 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1ccc(O)cc1 ZINC000137522363 592192249 /nfs/dbraw/zinc/19/22/49/592192249.db2.gz LKJRNLZXRHODOC-GFCCVEGCSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1ccc(O)cc1 ZINC000137522405 585015936 /nfs/dbraw/zinc/01/59/36/585015936.db2.gz LKJRNLZXRHODOC-LBPRGKRZSA-N 0 0 249.354 3.937 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)Cn2cccn2)cc1 ZINC000137640308 388565075 /nfs/dbraw/zinc/56/50/75/388565075.db2.gz OHQRFCSAGAVENJ-ZDUSSCGKSA-N 0 0 243.354 3.507 20 0 BHADRN CC(C)c1ccc(N[C@H](C)Cn2cccn2)cc1 ZINC000137640402 388564711 /nfs/dbraw/zinc/56/47/11/388564711.db2.gz OHQRFCSAGAVENJ-CYBMUJFWSA-N 0 0 243.354 3.507 20 0 BHADRN CC(C)c1cccc(N[C@@H](C)Cn2cccn2)c1 ZINC000137644058 325487467 /nfs/dbraw/zinc/48/74/67/325487467.db2.gz VYLKSMZJCNDFEJ-ZDUSSCGKSA-N 0 0 243.354 3.507 20 0 BHADRN CC(C)c1cccc(N[C@H](C)Cn2cccn2)c1 ZINC000137644142 325487358 /nfs/dbraw/zinc/48/73/58/325487358.db2.gz VYLKSMZJCNDFEJ-CYBMUJFWSA-N 0 0 243.354 3.507 20 0 BHADRN Cc1ccc(CN2CCc3ccccc32)s1 ZINC000137708878 345691661 /nfs/dbraw/zinc/69/16/61/345691661.db2.gz ZPANNLXYAAUIJV-UHFFFAOYSA-N 0 0 229.348 3.619 20 0 BHADRN CCN(C(=O)CC[C@@H](C)c1ccccc1)C(C)C ZINC000137762865 169634008 /nfs/dbraw/zinc/63/40/08/169634008.db2.gz MBHXKBLLVJACSI-CQSZACIVSA-N 0 0 247.382 3.827 20 0 BHADRN CCN(C(=O)CC[C@H](C)c1ccccc1)C(C)C ZINC000137762948 384546381 /nfs/dbraw/zinc/54/63/81/384546381.db2.gz MBHXKBLLVJACSI-AWEZNQCLSA-N 0 0 247.382 3.827 20 0 BHADRN Cc1ccccc1[C@@H](C)N(C)Cc1nccs1 ZINC000137804881 179317201 /nfs/dbraw/zinc/31/72/01/179317201.db2.gz JSXCRXIVBNZNAV-GFCCVEGCSA-N 0 0 246.379 3.645 20 0 BHADRN Cc1ccccc1[C@H](C)N(C)Cc1nccs1 ZINC000137804971 179334746 /nfs/dbraw/zinc/33/47/46/179334746.db2.gz JSXCRXIVBNZNAV-LBPRGKRZSA-N 0 0 246.379 3.645 20 0 BHADRN CN(CCCc1ccccc1)c1ccccc1 ZINC000138035246 491111766 /nfs/dbraw/zinc/11/17/66/491111766.db2.gz YKQKCIGYNCURGF-UHFFFAOYSA-N 0 0 225.335 3.756 20 0 BHADRN c1c(C2CCCCC2)nnn1C1CCCCC1 ZINC000138116136 488206674 /nfs/dbraw/zinc/20/66/74/488206674.db2.gz XFWUEFKZSHNZKQ-UHFFFAOYSA-N 0 0 233.359 3.831 20 0 BHADRN CC[C@H](Nc1ccc(OC)cc1)c1ccncc1 ZINC000138139863 592238860 /nfs/dbraw/zinc/23/88/60/592238860.db2.gz AGZVTUFBKZSLLN-HNNXBMFYSA-N 0 0 242.322 3.653 20 0 BHADRN CC[C@@H](Nc1ccc(OC)cc1)c1ccncc1 ZINC000138139979 585015812 /nfs/dbraw/zinc/01/58/12/585015812.db2.gz AGZVTUFBKZSLLN-OAHLLOKOSA-N 0 0 242.322 3.653 20 0 BHADRN Cc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1C ZINC000138255040 345693608 /nfs/dbraw/zinc/69/36/08/345693608.db2.gz QYSIFKHVQXWJPT-UHFFFAOYSA-N 0 0 248.713 3.537 20 0 BHADRN Cc1cccc(N(C)C(=O)OC(C)(C)C)c1C ZINC000138303880 645889076 /nfs/dbraw/zinc/88/90/76/645889076.db2.gz BWZHRAMJKAYGFX-UHFFFAOYSA-N 0 0 235.327 3.675 20 0 BHADRN Cc1cc(C)cc(NC(=O)c2cc(Cl)c[nH]2)c1 ZINC000138330345 358903772 /nfs/dbraw/zinc/90/37/72/358903772.db2.gz HFJJUXSUTMCBPT-UHFFFAOYSA-N 0 0 248.713 3.537 20 0 BHADRN c1csc(-c2noc(C3CCCCC3)n2)c1 ZINC000138366063 345694448 /nfs/dbraw/zinc/69/44/48/345694448.db2.gz IQTOGTPORVCSDC-UHFFFAOYSA-N 0 0 234.324 3.846 20 0 BHADRN CCCCC(=O)O[C@@H](C)CCc1ccccc1 ZINC000138402256 711796407 /nfs/dbraw/zinc/79/64/07/711796407.db2.gz HSOYIOMYZYVOED-ZDUSSCGKSA-N 0 0 234.339 3.741 20 0 BHADRN CSCc1ccc(Cl)cc1Cl ZINC000138606471 345695146 /nfs/dbraw/zinc/69/51/46/345695146.db2.gz GURSJEKDEDOYNT-UHFFFAOYSA-N 0 0 207.125 3.856 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)C[C@@H](C)C2CC2)c1 ZINC000138672815 711808317 /nfs/dbraw/zinc/80/83/17/711808317.db2.gz IPDPNOPLZQQEDF-CYBMUJFWSA-N 0 0 245.366 3.702 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000138679641 711809403 /nfs/dbraw/zinc/80/94/03/711809403.db2.gz XNXCPCWMJGQWFF-BJMVGYQFSA-N 0 0 237.730 3.943 20 0 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ZINC000151651094 355735691 /nfs/dbraw/zinc/73/56/91/355735691.db2.gz TZBLKPIRPGEGGB-CYBMUJFWSA-N 0 0 247.382 3.609 20 0 BHADRN CC(C)c1ccc(-c2nc(C(C)(C)C)no2)cn1 ZINC000151656341 167580298 /nfs/dbraw/zinc/58/02/98/167580298.db2.gz RVFDSRNOKHLYAO-UHFFFAOYSA-N 0 0 245.326 3.553 20 0 BHADRN Cc1ccccc1-c1noc([C@@H]2CC2(C)C)n1 ZINC000151685896 384702143 /nfs/dbraw/zinc/70/21/43/384702143.db2.gz YBHGXLVSKXWWQT-NSHDSACASA-N 0 0 228.295 3.559 20 0 BHADRN Cc1ccccc1-c1noc([C@H]2CC2(C)C)n1 ZINC000151685969 384702500 /nfs/dbraw/zinc/70/25/00/384702500.db2.gz YBHGXLVSKXWWQT-LLVKDONJSA-N 0 0 228.295 3.559 20 0 BHADRN CN(C(=O)C1=CCCC1)C1CCCCCCC1 ZINC000151687028 641456130 /nfs/dbraw/zinc/45/61/30/641456130.db2.gz WLXOYFUVDLUJNN-UHFFFAOYSA-N 0 0 235.371 3.668 20 0 BHADRN C[C@@H]1CCC[C@H](C)N1C(=O)CCC(C)(C)C ZINC000151694242 384705994 /nfs/dbraw/zinc/70/59/94/384705994.db2.gz HMOBWHNAGDCPSP-TXEJJXNPSA-N 0 0 225.376 3.602 20 0 BHADRN C[C@H]1CCC[C@H](C)N1C(=O)CCC(C)(C)C ZINC000151694299 384704398 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/nfs/dbraw/zinc/33/26/47/188332647.db2.gz GPKJLYQEETVBGR-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN CCC1(C(=O)N(C)C2CCCCC2)CCCC1 ZINC000151733076 323025537 /nfs/dbraw/zinc/02/55/37/323025537.db2.gz UOWSRLVGTVGRDM-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CC(C)(C)CCC(=O)N(C1CC1)C1CCCC1 ZINC000151746386 356293569 /nfs/dbraw/zinc/29/35/69/356293569.db2.gz OKTRIXLOHKIREV-UHFFFAOYSA-N 0 0 237.387 3.746 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)CCC(C)(C)C)C1 ZINC000151780313 345434357 /nfs/dbraw/zinc/43/43/57/345434357.db2.gz YJXQGLNQNGKABF-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H]1CCC[C@H](NC(=O)CCC(C)(C)C)C1 ZINC000151780386 345434331 /nfs/dbraw/zinc/43/43/31/345434331.db2.gz YJXQGLNQNGKABF-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)CCC(C)(C)C)C1 ZINC000151780452 345434411 /nfs/dbraw/zinc/43/44/11/345434411.db2.gz YJXQGLNQNGKABF-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H]1CCC[C@@H](NC(=O)CCC(C)(C)C)C1 ZINC000151780532 345434315 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3.994 20 0 BHADRN CCc1ccccc1C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000151916873 385140731 /nfs/dbraw/zinc/14/07/31/385140731.db2.gz QXBZXEVWAZZTHY-LBPRGKRZSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccccc1C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000151916943 385141893 /nfs/dbraw/zinc/14/18/93/385141893.db2.gz QXBZXEVWAZZTHY-GFCCVEGCSA-N 0 0 245.366 3.510 20 0 BHADRN CC(C)[C@@H](C)N(C(=O)CCC(C)(C)C)C1CC1 ZINC000151922061 356660831 /nfs/dbraw/zinc/66/08/31/356660831.db2.gz YWIRWFGUYSPKLD-GFCCVEGCSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)[C@H](C)N(C(=O)CCC(C)(C)C)C1CC1 ZINC000151922135 356660817 /nfs/dbraw/zinc/66/08/17/356660817.db2.gz YWIRWFGUYSPKLD-LBPRGKRZSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)C[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000151922257 323033833 /nfs/dbraw/zinc/03/38/33/323033833.db2.gz SVNWYUDRVNGOFU-GJZGRUSLSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)C[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000151922313 323033825 /nfs/dbraw/zinc/03/38/25/323033825.db2.gz SVNWYUDRVNGOFU-LSDHHAIUSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)C[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000151922399 323033810 /nfs/dbraw/zinc/03/38/10/323033810.db2.gz SVNWYUDRVNGOFU-CABCVRRESA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)C[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000151922468 323033854 /nfs/dbraw/zinc/03/38/54/323033854.db2.gz SVNWYUDRVNGOFU-HUUCEWRRSA-N 0 0 249.398 3.627 20 0 BHADRN CC(=O)Nc1ccc(C)cc1NCC1CCCC1 ZINC000151923090 188332187 /nfs/dbraw/zinc/33/21/87/188332187.db2.gz ADILQOFHBHFETL-UHFFFAOYSA-N 0 0 246.354 3.556 20 0 BHADRN CCC(C)(C)C(=O)N1CCC[C@H](CC(C)C)C1 ZINC000151927350 323043947 /nfs/dbraw/zinc/04/39/47/323043947.db2.gz ITXARDCZNQHICX-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(C)(C)C(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000151927438 323033938 /nfs/dbraw/zinc/03/39/38/323033938.db2.gz ITXARDCZNQHICX-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000151962883 356665435 /nfs/dbraw/zinc/66/54/35/356665435.db2.gz OLBUTBLUBXJWTQ-OCCSQVGLSA-N 0 0 247.382 3.603 20 0 BHADRN CC[C@H](C)CN(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000151962961 356665498 /nfs/dbraw/zinc/66/54/98/356665498.db2.gz OLBUTBLUBXJWTQ-JSGCOSHPSA-N 0 0 247.382 3.603 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC000151963041 356665397 /nfs/dbraw/zinc/66/53/97/356665397.db2.gz OLBUTBLUBXJWTQ-TZMCWYRMSA-N 0 0 247.382 3.603 20 0 BHADRN CC[C@H](C)CN(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC000151963114 356665380 /nfs/dbraw/zinc/66/53/80/356665380.db2.gz OLBUTBLUBXJWTQ-GXTWGEPZSA-N 0 0 247.382 3.603 20 0 BHADRN c1csc(Sc2ncnc3c2CCCC3)c1 ZINC000151985992 538072283 /nfs/dbraw/zinc/07/22/83/538072283.db2.gz BDGRXTWJBOSXNS-UHFFFAOYSA-N 0 0 248.376 3.568 20 0 BHADRN CCN(C(=O)c1cc(C)c(C)o1)C1CCCCC1 ZINC000151999419 541445794 /nfs/dbraw/zinc/44/57/94/541445794.db2.gz LVNNQXCAMWARSX-UHFFFAOYSA-N 0 0 249.354 3.691 20 0 BHADRN CC(C)C[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000152004110 323095323 /nfs/dbraw/zinc/09/53/23/323095323.db2.gz YFRILJJUUFXFKC-GJZGRUSLSA-N 0 0 249.398 3.627 20 0 BHADRN 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/nfs/dbraw/zinc/32/36/39/179323639.db2.gz ICRWOYQYKHTDKI-LLVKDONJSA-N 0 0 232.352 3.582 20 0 BHADRN Cc1ccccc1[C@H](C)Sc1nccn1C ZINC000154170079 179340240 /nfs/dbraw/zinc/34/02/40/179340240.db2.gz ICRWOYQYKHTDKI-NSHDSACASA-N 0 0 232.352 3.582 20 0 BHADRN CC[C@H](C(=O)O[C@H]1C=CCC1)c1ccc(F)cc1 ZINC000154172765 641975759 /nfs/dbraw/zinc/97/57/59/641975759.db2.gz KPAVFPGJTIRKRW-KBPBESRZSA-N 0 0 248.297 3.581 20 0 BHADRN CC[C@@H](C(=O)O[C@H]1C=CCC1)c1ccc(F)cc1 ZINC000154172866 641974998 /nfs/dbraw/zinc/97/49/98/641974998.db2.gz KPAVFPGJTIRKRW-UONOGXRCSA-N 0 0 248.297 3.581 20 0 BHADRN CC[C@H](C(=O)O[C@@H]1C=CCC1)c1ccc(F)cc1 ZINC000154172975 641975275 /nfs/dbraw/zinc/97/52/75/641975275.db2.gz KPAVFPGJTIRKRW-KGLIPLIRSA-N 0 0 248.297 3.581 20 0 BHADRN CC[C@@H](C(=O)O[C@@H]1C=CCC1)c1ccc(F)cc1 ZINC000154173087 641975932 /nfs/dbraw/zinc/97/59/32/641975932.db2.gz KPAVFPGJTIRKRW-ZIAGYGMSSA-N 0 0 248.297 3.581 20 0 BHADRN CCC[C@H](C(=O)O[C@@H](C#N)C(C)(C)C)C(C)C ZINC000154173353 641974977 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ZIONLOGSIOXSPG-QMMMGPOBSA-N 0 0 228.744 3.657 20 0 BHADRN CC(=O)[C@H](C)CSc1ccccc1Cl ZINC000154217073 326136169 /nfs/dbraw/zinc/13/61/69/326136169.db2.gz ZIONLOGSIOXSPG-MRVPVSSYSA-N 0 0 228.744 3.657 20 0 BHADRN CN(CCC1CC1)C(=O)CCCC1CCCC1 ZINC000154223527 326136036 /nfs/dbraw/zinc/13/60/36/326136036.db2.gz JPEVBYMLPKSSPI-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1cscc1NC(=O)CC1CCCCC1 ZINC000154224610 179806775 /nfs/dbraw/zinc/80/67/75/179806775.db2.gz GRCYFRUYIDWZEB-UHFFFAOYSA-N 0 0 237.368 3.965 20 0 BHADRN Cc1cscc1NC(=O)Cc1ccccc1C ZINC000154228306 326136191 /nfs/dbraw/zinc/13/61/91/326136191.db2.gz JJZKUCHOKMPSCC-UHFFFAOYSA-N 0 0 245.347 3.546 20 0 BHADRN Cc1cscc1NC(=O)/C=C/c1ccccc1 ZINC000154229625 326136162 /nfs/dbraw/zinc/13/61/62/326136162.db2.gz CAYBAMXACPGOHS-BQYQJAHWSA-N 0 0 243.331 3.708 20 0 BHADRN Cc1cscc1NC(=O)CC1CCCC1 ZINC000154230685 385311168 /nfs/dbraw/zinc/31/11/68/385311168.db2.gz LVHDWYVVGBONBI-UHFFFAOYSA-N 0 0 223.341 3.575 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccccc2F)cn1 ZINC000154230997 345021913 /nfs/dbraw/zinc/02/19/13/345021913.db2.gz VOXLUAUKJVAIOY-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccccc2F)cn1 ZINC000154231118 345021940 /nfs/dbraw/zinc/02/19/40/345021940.db2.gz VOXLUAUKJVAIOY-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN COc1cccc([C@H](C)Nc2ccc(C)nc2)c1 ZINC000154231226 175294370 /nfs/dbraw/zinc/29/43/70/175294370.db2.gz RIBMQMJDSHUZNM-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1cccc([C@@H](C)Nc2ccc(C)nc2)c1 ZINC000154231331 175287908 /nfs/dbraw/zinc/28/79/08/175287908.db2.gz RIBMQMJDSHUZNM-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1ccc(N[C@@H](c2ccccc2)C2CC2)cn1 ZINC000154232842 345021883 /nfs/dbraw/zinc/02/18/83/345021883.db2.gz LNWLNJFIKCYWJS-INIZCTEOSA-N 0 0 238.334 3.953 20 0 BHADRN Cc1ccc(N[C@H](c2ccccc2)C2CC2)cn1 ZINC000154232953 345021889 /nfs/dbraw/zinc/02/18/89/345021889.db2.gz LNWLNJFIKCYWJS-MRXNPFEDSA-N 0 0 238.334 3.953 20 0 BHADRN CC[C@H](Nc1ccc(C)nc1)c1ccccc1 ZINC000154233674 345021950 /nfs/dbraw/zinc/02/19/50/345021950.db2.gz BNFMKNKTGADEJP-HNNXBMFYSA-N 0 0 226.323 3.953 20 0 BHADRN CC[C@@H](Nc1ccc(C)nc1)c1ccccc1 ZINC000154233779 345021893 /nfs/dbraw/zinc/02/18/93/345021893.db2.gz BNFMKNKTGADEJP-OAHLLOKOSA-N 0 0 226.323 3.953 20 0 BHADRN COc1ccccc1[C@H](C)Nc1ccc(C)nc1 ZINC000154233912 175352342 /nfs/dbraw/zinc/35/23/42/175352342.db2.gz GNZGDXTVIZBXOB-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccccc1[C@@H](C)Nc1ccc(C)nc1 ZINC000154234014 175346157 /nfs/dbraw/zinc/34/61/57/175346157.db2.gz GNZGDXTVIZBXOB-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccccc2C)cn1 ZINC000154234365 345021881 /nfs/dbraw/zinc/02/18/81/345021881.db2.gz ZVMXNGULOIAEKV-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccccc2C)cn1 ZINC000154234478 345021921 /nfs/dbraw/zinc/02/19/21/345021921.db2.gz ZVMXNGULOIAEKV-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN CCC(=CC(=O)Nc1cscc1C)CC ZINC000154238381 641990643 /nfs/dbraw/zinc/99/06/43/641990643.db2.gz WPFDHDLMVMBDCJ-UHFFFAOYSA-N 0 0 223.341 3.741 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2F)cn1 ZINC000154243613 488077684 /nfs/dbraw/zinc/07/76/84/488077684.db2.gz BBAXBLHNXXRXMM-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccc(F)cc2F)cn1 ZINC000154243724 488077743 /nfs/dbraw/zinc/07/77/43/488077743.db2.gz BBAXBLHNXXRXMM-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cccc(F)c2)cn1 ZINC000154244104 488077608 /nfs/dbraw/zinc/07/76/08/488077608.db2.gz VHKZUOQZCFUSLL-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(N[C@H](C)c2cccc(F)c2)cn1 ZINC000154244211 398338621 /nfs/dbraw/zinc/33/86/21/398338621.db2.gz VHKZUOQZCFUSLL-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc([C@@H](C)Nc2ccc(C)nc2)c1 ZINC000154245983 398338598 /nfs/dbraw/zinc/33/85/98/398338598.db2.gz WVUGHCXZRVWEBR-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1cccc([C@H](C)Nc2ccc(C)nc2)c1 ZINC000154246088 398338619 /nfs/dbraw/zinc/33/86/19/398338619.db2.gz WVUGHCXZRVWEBR-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(NCc2cccc3cnccc32)cn1 ZINC000154246657 537915977 /nfs/dbraw/zinc/91/59/77/537915977.db2.gz JURJPWRABQVMSN-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccsc1[C@@H](C)Nc1ccc(C)nc1 ZINC000154246822 385311030 /nfs/dbraw/zinc/31/10/30/385311030.db2.gz GDJKCIRISDQNLK-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccccc2)cn1 ZINC000154249202 384597293 /nfs/dbraw/zinc/59/72/93/384597293.db2.gz INSQFSHZPKIMRF-LBPRGKRZSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccccc2)cn1 ZINC000154249310 384596525 /nfs/dbraw/zinc/59/65/25/384596525.db2.gz INSQFSHZPKIMRF-GFCCVEGCSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000154250319 384597640 /nfs/dbraw/zinc/59/76/40/384597640.db2.gz WUAJZMFUKYWFFQ-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000154250434 384598205 /nfs/dbraw/zinc/59/82/05/384598205.db2.gz WUAJZMFUKYWFFQ-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cc(F)ccc2F)cn1 ZINC000154250770 345020634 /nfs/dbraw/zinc/02/06/34/345020634.db2.gz WOOMMGKAUJQLMA-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)c2cc(F)ccc2F)cn1 ZINC000154250881 134665178 /nfs/dbraw/zinc/66/51/78/134665178.db2.gz WOOMMGKAUJQLMA-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CC(C)c1ncc(-c2nc3ccccc3[nH]2)s1 ZINC000154251210 326137161 /nfs/dbraw/zinc/13/71/61/326137161.db2.gz ODYRQOBHBNGUEI-UHFFFAOYSA-N 0 0 243.335 3.810 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2)cn1 ZINC000154257416 345022430 /nfs/dbraw/zinc/02/24/30/345022430.db2.gz AFEVFZYGARZPOZ-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccc(F)cc2)cn1 ZINC000154257535 345022790 /nfs/dbraw/zinc/02/27/90/345022790.db2.gz AFEVFZYGARZPOZ-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cc(F)cc(F)c2)cn1 ZINC000154259454 345022787 /nfs/dbraw/zinc/02/27/87/345022787.db2.gz LNQCQAWFYIZBRY-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)c2cc(F)cc(F)c2)cn1 ZINC000154259537 345022797 /nfs/dbraw/zinc/02/27/97/345022797.db2.gz LNQCQAWFYIZBRY-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc([C@@H](C)Nc2ccc(C)nc2)cc1 ZINC000154259859 134666931 /nfs/dbraw/zinc/66/69/31/134666931.db2.gz GBXFLZVOLYJXHX-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc([C@H](C)Nc2ccc(C)nc2)cc1 ZINC000154259938 345022592 /nfs/dbraw/zinc/02/25/92/345022592.db2.gz GBXFLZVOLYJXHX-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN COc1ccc([C@H](C)Nc2ccc(C)nc2)cc1 ZINC000154260291 175190308 /nfs/dbraw/zinc/19/03/08/175190308.db2.gz OZIWIOLTDFMMKM-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc([C@@H](C)Nc2ccc(C)nc2)cc1 ZINC000154260389 175177645 /nfs/dbraw/zinc/17/76/45/175177645.db2.gz OZIWIOLTDFMMKM-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1ccc(N[C@@H]2CCCc3sccc32)cn1 ZINC000154262792 345022558 /nfs/dbraw/zinc/02/25/58/345022558.db2.gz GASOXKMBYWSCCP-CYBMUJFWSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1ccc(N[C@H]2CCCc3sccc32)cn1 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/nfs/dbraw/zinc/31/14/81/326311481.db2.gz OSIRHIXUUULYGM-CQSZACIVSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C)CCc1csc(-c2ccccn2)n1 ZINC000158202012 326311485 /nfs/dbraw/zinc/31/14/85/326311485.db2.gz UJNCEHZGMOOMKY-UHFFFAOYSA-N 0 0 232.352 3.794 20 0 BHADRN CC(C)CCc1csc(-c2ccncc2)n1 ZINC000158202445 326311191 /nfs/dbraw/zinc/31/11/91/326311191.db2.gz RKUXQWPMJYLROR-UHFFFAOYSA-N 0 0 232.352 3.794 20 0 BHADRN O=C(CC1CCCCCC1)N[C@H]1C=CCCC1 ZINC000158204184 326311471 /nfs/dbraw/zinc/31/14/71/326311471.db2.gz ZBWXFHGPYFRUJX-AWEZNQCLSA-N 0 0 235.371 3.572 20 0 BHADRN O=C(CC1CCCCCC1)N[C@@H]1C=CCCC1 ZINC000158204329 326311199 /nfs/dbraw/zinc/31/11/99/326311199.db2.gz ZBWXFHGPYFRUJX-CQSZACIVSA-N 0 0 235.371 3.572 20 0 BHADRN CCO[C@@H](C)c1nc(CCC(C)C)cs1 ZINC000158207364 326311876 /nfs/dbraw/zinc/31/18/76/326311876.db2.gz VMKHPCOSPZVUEL-JTQLQIEISA-N 0 0 227.373 3.829 20 0 BHADRN CCO[C@H](C)c1nc(CCC(C)C)cs1 ZINC000158207507 326311761 /nfs/dbraw/zinc/31/17/61/326311761.db2.gz VMKHPCOSPZVUEL-SNVBAGLBSA-N 0 0 227.373 3.829 20 0 BHADRN CNc1cccc(CSC(C)C)c1C ZINC000158214347 387939543 /nfs/dbraw/zinc/93/95/43/387939543.db2.gz HIMGGEFGLRQQMP-UHFFFAOYSA-N 0 0 209.358 3.678 20 0 BHADRN CNc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000158217327 385366783 /nfs/dbraw/zinc/36/67/83/385366783.db2.gz HQKGUEIZMABMOJ-UHFFFAOYSA-N 0 0 228.295 3.532 20 0 BHADRN Cc1cccnc1NC(=O)C1CCC(C)(C)CC1 ZINC000158221332 179388398 /nfs/dbraw/zinc/38/83/98/179388398.db2.gz LPJCJEZQKYRBLT-UHFFFAOYSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(C)ccc1C ZINC000158237824 326312618 /nfs/dbraw/zinc/31/26/18/326312618.db2.gz DXRYHPYLUZFTGO-IUODEOHRSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C)ccc1C ZINC000158237972 326312551 /nfs/dbraw/zinc/31/25/51/326312551.db2.gz DXRYHPYLUZFTGO-DOMZBBRYSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1cc(C)ccc1C ZINC000158238116 326312548 /nfs/dbraw/zinc/31/25/48/326312548.db2.gz DXRYHPYLUZFTGO-SWLSCSKDSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(C)ccc1C ZINC000158238254 326312625 /nfs/dbraw/zinc/31/26/25/326312625.db2.gz DXRYHPYLUZFTGO-WFASDCNBSA-N 0 0 231.339 3.678 20 0 BHADRN CC(C)CC1(C(=O)Nc2cccc(O)c2)CCC1 ZINC000158238652 384212232 /nfs/dbraw/zinc/21/22/32/384212232.db2.gz JBSKGHORZJGCQN-UHFFFAOYSA-N 0 0 247.338 3.547 20 0 BHADRN O=C(CC1CCCCCC1)Nc1cccc(O)c1 ZINC000158238711 387942339 /nfs/dbraw/zinc/94/23/39/387942339.db2.gz VRRVINPSVUTONJ-UHFFFAOYSA-N 0 0 247.338 3.691 20 0 BHADRN CC[C@H](Nc1cccc(C)n1)c1c(C)noc1C ZINC000158239091 345312584 /nfs/dbraw/zinc/31/25/84/345312584.db2.gz LHRUYRPKFUDMEU-LBPRGKRZSA-N 0 0 245.326 3.558 20 0 BHADRN CC[C@@H](Nc1cccc(C)n1)c1c(C)noc1C ZINC000158239240 345312224 /nfs/dbraw/zinc/31/22/24/345312224.db2.gz LHRUYRPKFUDMEU-GFCCVEGCSA-N 0 0 245.326 3.558 20 0 BHADRN CC(C)=C(F)c1nc(C2CCCCC2)no1 ZINC000158243997 326312925 /nfs/dbraw/zinc/31/29/25/326312925.db2.gz REEKGEQOPRFMJB-UHFFFAOYSA-N 0 0 224.279 3.838 20 0 BHADRN CCOCc1ccc(NC[C@H](C)CC)cc1 ZINC000158257481 387943369 /nfs/dbraw/zinc/94/33/69/387943369.db2.gz QYICKOSPNQLZAF-GFCCVEGCSA-N 0 0 221.344 3.681 20 0 BHADRN Cc1cnc(CN(C)c2ccc(C(C)C)cc2)o1 ZINC000158257484 384213413 /nfs/dbraw/zinc/21/34/13/384213413.db2.gz SFBSQPLTYHOSSJ-UHFFFAOYSA-N 0 0 244.338 3.743 20 0 BHADRN CCOCc1ccc(NC[C@@H](C)CC)cc1 ZINC000158257619 387943622 /nfs/dbraw/zinc/94/36/22/387943622.db2.gz QYICKOSPNQLZAF-LBPRGKRZSA-N 0 0 221.344 3.681 20 0 BHADRN CNc1cccc(COc2ccccc2)c1C ZINC000158275102 326314810 /nfs/dbraw/zinc/31/48/10/326314810.db2.gz CQBDVHCZRGKINP-UHFFFAOYSA-N 0 0 227.307 3.616 20 0 BHADRN Cc1cc(F)c(C(=O)Nc2ccccc2)cc1F ZINC000158276110 585024309 /nfs/dbraw/zinc/02/43/09/585024309.db2.gz MAEWCFMENLHBLA-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN CSCCCCC(=O)OCC1(C)CCCC1 ZINC000158278020 640826781 /nfs/dbraw/zinc/82/67/81/640826781.db2.gz XFJCLENGSJBRCT-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000158284377 326314697 /nfs/dbraw/zinc/31/46/97/326314697.db2.gz ZJBKRFHPDGQWJR-IUODEOHRSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000158284505 326314759 /nfs/dbraw/zinc/31/47/59/326314759.db2.gz ZJBKRFHPDGQWJR-DOMZBBRYSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1cccc(C)c1C ZINC000158284652 326314757 /nfs/dbraw/zinc/31/47/57/326314757.db2.gz ZJBKRFHPDGQWJR-SWLSCSKDSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc(C)c1C ZINC000158284794 323072632 /nfs/dbraw/zinc/07/26/32/323072632.db2.gz ZJBKRFHPDGQWJR-WFASDCNBSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000158285246 326314684 /nfs/dbraw/zinc/31/46/84/326314684.db2.gz KGQXKAFMHQDKEG-IUODEOHRSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000158285384 326314790 /nfs/dbraw/zinc/31/47/90/326314790.db2.gz KGQXKAFMHQDKEG-DOMZBBRYSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C)cc1C ZINC000158285527 326314800 /nfs/dbraw/zinc/31/48/00/326314800.db2.gz KGQXKAFMHQDKEG-SWLSCSKDSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C)cc1C ZINC000158285664 326314713 /nfs/dbraw/zinc/31/47/13/326314713.db2.gz KGQXKAFMHQDKEG-WFASDCNBSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1Cl ZINC000158289346 326314848 /nfs/dbraw/zinc/31/48/48/326314848.db2.gz IEUYZKOTDJWVIN-NOZJJQNGSA-N 0 0 237.730 3.715 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1Cl ZINC000158289489 326314744 /nfs/dbraw/zinc/31/47/44/326314744.db2.gz IEUYZKOTDJWVIN-RNCFNFMXSA-N 0 0 237.730 3.715 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccccc1Cl ZINC000158289630 326314372 /nfs/dbraw/zinc/31/43/72/326314372.db2.gz IEUYZKOTDJWVIN-TVQRCGJNSA-N 0 0 237.730 3.715 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1Cl ZINC000158289774 326314733 /nfs/dbraw/zinc/31/47/33/326314733.db2.gz IEUYZKOTDJWVIN-ZANVPECISA-N 0 0 237.730 3.715 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000158291332 326314785 /nfs/dbraw/zinc/31/47/85/326314785.db2.gz MEABPFYOKUEHBL-CZUORRHYSA-N 0 0 245.366 3.987 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000158291477 326314748 /nfs/dbraw/zinc/31/47/48/326314748.db2.gz MEABPFYOKUEHBL-CJNGLKHVSA-N 0 0 245.366 3.987 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000158291619 326314710 /nfs/dbraw/zinc/31/47/10/326314710.db2.gz MEABPFYOKUEHBL-XJKSGUPXSA-N 0 0 245.366 3.987 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000158291777 326314735 /nfs/dbraw/zinc/31/47/35/326314735.db2.gz MEABPFYOKUEHBL-BBRMVZONSA-N 0 0 245.366 3.987 20 0 BHADRN CCCCCOc1ccc2[nH]ccc2c1 ZINC000158293298 385905626 /nfs/dbraw/zinc/90/56/26/385905626.db2.gz JXEZHEAZNQIYBP-UHFFFAOYSA-N 0 0 203.285 3.737 20 0 BHADRN CCc1cccc(C)c1NC(=O)[C@@H]1C[C@@]1(C)CC ZINC000158300053 326315350 /nfs/dbraw/zinc/31/53/50/326315350.db2.gz UEHPSMNNLKTXGJ-XJKSGUPXSA-N 0 0 245.366 3.932 20 0 BHADRN CCc1cccc(C)c1NC(=O)[C@H]1C[C@@]1(C)CC ZINC000158300199 326315309 /nfs/dbraw/zinc/31/53/09/326315309.db2.gz UEHPSMNNLKTXGJ-CZUORRHYSA-N 0 0 245.366 3.932 20 0 BHADRN CCc1cccc(C)c1NC(=O)[C@@H]1C[C@]1(C)CC ZINC000158300338 326315106 /nfs/dbraw/zinc/31/51/06/326315106.db2.gz UEHPSMNNLKTXGJ-BBRMVZONSA-N 0 0 245.366 3.932 20 0 BHADRN CCc1cccc(C)c1NC(=O)[C@H]1C[C@]1(C)CC ZINC000158300498 326315340 /nfs/dbraw/zinc/31/53/40/326315340.db2.gz UEHPSMNNLKTXGJ-CJNGLKHVSA-N 0 0 245.366 3.932 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc(SC)c1 ZINC000158301096 326315335 /nfs/dbraw/zinc/31/53/35/326315335.db2.gz XYCCQSJPNIILIN-TZMCWYRMSA-N 0 0 249.379 3.783 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(SC)c1 ZINC000158301245 326315102 /nfs/dbraw/zinc/31/51/02/326315102.db2.gz XYCCQSJPNIILIN-OCCSQVGLSA-N 0 0 249.379 3.783 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1cccc(SC)c1 ZINC000158301394 326315094 /nfs/dbraw/zinc/31/50/94/326315094.db2.gz XYCCQSJPNIILIN-GXTWGEPZSA-N 0 0 249.379 3.783 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc(SC)c1 ZINC000158301537 326315261 /nfs/dbraw/zinc/31/52/61/326315261.db2.gz XYCCQSJPNIILIN-JSGCOSHPSA-N 0 0 249.379 3.783 20 0 BHADRN CNc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000158304819 326315238 /nfs/dbraw/zinc/31/52/38/326315238.db2.gz WAOUUHNYJQTPKT-UHFFFAOYSA-N 0 0 237.224 3.813 20 0 BHADRN CC1(C(=O)Nc2cc(F)cc(Cl)c2)CCC1 ZINC000158317899 345322325 /nfs/dbraw/zinc/32/23/25/345322325.db2.gz DVLKLEVXYXPJLX-UHFFFAOYSA-N 0 0 241.693 3.608 20 0 BHADRN CC(C)=C(F)c1nc(-c2cccc(F)c2)no1 ZINC000158325208 326315801 /nfs/dbraw/zinc/31/58/01/326315801.db2.gz DGZDAKMULGPPSH-UHFFFAOYSA-N 0 0 236.221 3.596 20 0 BHADRN CC(C)=C(F)c1nc(-c2ccccc2C)no1 ZINC000158333862 326315701 /nfs/dbraw/zinc/31/57/01/326315701.db2.gz KGVJLCNAUHGSQP-UHFFFAOYSA-N 0 0 232.258 3.765 20 0 BHADRN O=C(C=C1CCC1)Nc1cc(F)cc(Cl)c1 ZINC000158336234 631871153 /nfs/dbraw/zinc/87/11/53/631871153.db2.gz PVSROOTWGRYULX-UHFFFAOYSA-N 0 0 239.677 3.528 20 0 BHADRN O=C(Nc1ccsc1)Nc1ccccc1F ZINC000158337507 326315773 /nfs/dbraw/zinc/31/57/73/326315773.db2.gz QPNNAQAJAAFYTI-UHFFFAOYSA-N 0 0 236.271 3.531 20 0 BHADRN CC(C)c1cccc(NC(=O)C2(C)CC2)c1 ZINC000158341487 326315693 /nfs/dbraw/zinc/31/56/93/326315693.db2.gz IXRPVPNJGGTTHN-UHFFFAOYSA-N 0 0 217.312 3.549 20 0 BHADRN CC(C)c1cccc(NC(=O)C2=CCCC2)c1 ZINC000158341956 384434967 /nfs/dbraw/zinc/43/49/67/384434967.db2.gz FJCPYDRBYDRKJW-UHFFFAOYSA-N 0 0 229.323 3.859 20 0 BHADRN CC(C)=C(F)c1nc(CCc2ccccc2)no1 ZINC000158342076 326315635 /nfs/dbraw/zinc/31/56/35/326315635.db2.gz AWPUIHYALCMOHF-UHFFFAOYSA-N 0 0 246.285 3.575 20 0 BHADRN c1ccc2oc(NC[C@@H]3CCCCS3)nc2c1 ZINC000158343612 133501846 /nfs/dbraw/zinc/50/18/46/133501846.db2.gz KMJMSNQTUOQIQL-JTQLQIEISA-N 0 0 248.351 3.525 20 0 BHADRN c1ccc2oc(NC[C@H]3CCCCS3)nc2c1 ZINC000158343765 133501977 /nfs/dbraw/zinc/50/19/77/133501977.db2.gz KMJMSNQTUOQIQL-SNVBAGLBSA-N 0 0 248.351 3.525 20 0 BHADRN CC/C=C(/C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000158344041 641631615 /nfs/dbraw/zinc/63/16/15/641631615.db2.gz JIJBQQRAUUPQDP-YWEYNIOJSA-N 0 0 241.693 3.774 20 0 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387985951 /nfs/dbraw/zinc/98/59/51/387985951.db2.gz WIVZVGHTHQOBKR-LBPRGKRZSA-N 0 0 242.746 3.516 20 0 BHADRN CC(C)CC[C@@H](O)COc1ccc(Cl)cc1 ZINC000159122200 387985432 /nfs/dbraw/zinc/98/54/32/387985432.db2.gz WIVZVGHTHQOBKR-GFCCVEGCSA-N 0 0 242.746 3.516 20 0 BHADRN CC(C)CC[C@H](O)COc1cccc(Cl)c1 ZINC000159122642 201663763 /nfs/dbraw/zinc/66/37/63/201663763.db2.gz ZXBYUJOVCQCDJZ-LBPRGKRZSA-N 0 0 242.746 3.516 20 0 BHADRN CC(C)CC[C@@H](O)COc1cccc(Cl)c1 ZINC000159122751 201663980 /nfs/dbraw/zinc/66/39/80/201663980.db2.gz ZXBYUJOVCQCDJZ-GFCCVEGCSA-N 0 0 242.746 3.516 20 0 BHADRN CCC(C)(CC)C(=O)N1CCCC(C)(C)CC1 ZINC000159126097 538874509 /nfs/dbraw/zinc/87/45/09/538874509.db2.gz FTRXQKIRLPDPGU-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCCCC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000159133548 632951499 /nfs/dbraw/zinc/95/14/99/632951499.db2.gz LNBIKMUGGXPURU-KBPBESRZSA-N 0 0 237.387 3.748 20 0 BHADRN CCC(C)(CC)C(=O)N1CCC(C(C)C)CC1 ZINC000159137375 538874710 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AHSBACJEEDXCIA-RISCZKNCSA-N 0 0 219.328 3.686 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1ccc(OC)cc1 ZINC000162817364 633040729 /nfs/dbraw/zinc/04/07/29/633040729.db2.gz AHSBACJEEDXCIA-FZMZJTMJSA-N 0 0 219.328 3.686 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1ccc(OC)cc1 ZINC000162817478 633040393 /nfs/dbraw/zinc/04/03/93/633040393.db2.gz AHSBACJEEDXCIA-BXUZGUMPSA-N 0 0 219.328 3.686 20 0 BHADRN CC[C@H]1CCC[C@H]1Nc1ccc(OC)cc1 ZINC000162817614 634569256 /nfs/dbraw/zinc/56/92/56/634569256.db2.gz AHSBACJEEDXCIA-SMDDNHRTSA-N 0 0 219.328 3.686 20 0 BHADRN C[C@@H](CC1CCC1)Nc1cccc(F)c1 ZINC000162819740 538925136 /nfs/dbraw/zinc/92/51/36/538925136.db2.gz ZBTJKJRSIOWOQV-JTQLQIEISA-N 0 0 207.292 3.816 20 0 BHADRN C[C@H](CC1CCC1)Nc1cccc(F)c1 ZINC000162819875 538925190 /nfs/dbraw/zinc/92/51/90/538925190.db2.gz ZBTJKJRSIOWOQV-SNVBAGLBSA-N 0 0 207.292 3.816 20 0 BHADRN CC(C)C[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC000162825087 360633838 /nfs/dbraw/zinc/63/38/38/360633838.db2.gz HAJFAXHHZGFZSJ-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)C[C@H]1CCCCN1C(=O)CCC1CC1 ZINC000162825223 360634106 /nfs/dbraw/zinc/63/41/06/360634106.db2.gz HAJFAXHHZGFZSJ-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CCOC[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000162825950 202075047 /nfs/dbraw/zinc/07/50/47/202075047.db2.gz HGRZYZJWMOGPMV-GFCCVEGCSA-N 0 0 221.344 3.647 20 0 BHADRN CCOC[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000162826079 387892185 /nfs/dbraw/zinc/89/21/85/387892185.db2.gz HGRZYZJWMOGPMV-LBPRGKRZSA-N 0 0 221.344 3.647 20 0 BHADRN CO[C@H](C)[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000162826213 384693091 /nfs/dbraw/zinc/69/30/91/384693091.db2.gz WSJAOWCBJSFJPC-NWDGAFQWSA-N 0 0 221.344 3.645 20 0 BHADRN CO[C@H](C)[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000162826324 202074777 /nfs/dbraw/zinc/07/47/77/202074777.db2.gz WSJAOWCBJSFJPC-VXGBXAGGSA-N 0 0 221.344 3.645 20 0 BHADRN CO[C@@H](C)[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000162826456 202074751 /nfs/dbraw/zinc/07/47/51/202074751.db2.gz WSJAOWCBJSFJPC-RYUDHWBXSA-N 0 0 221.344 3.645 20 0 BHADRN CO[C@@H](C)[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000162826587 229626627 /nfs/dbraw/zinc/62/66/27/229626627.db2.gz WSJAOWCBJSFJPC-NEPJUHHUSA-N 0 0 221.344 3.645 20 0 BHADRN Cc1cc(C)cc(N[C@@H](C)CC2CC2)c1 ZINC000162830728 202077603 /nfs/dbraw/zinc/07/76/03/202077603.db2.gz ZKTGUHHJXVYPJX-LBPRGKRZSA-N 0 0 203.329 3.904 20 0 BHADRN Cc1cc(C)cc(N[C@H](C)CC2CC2)c1 ZINC000162830855 202076936 /nfs/dbraw/zinc/07/69/36/202076936.db2.gz ZKTGUHHJXVYPJX-GFCCVEGCSA-N 0 0 203.329 3.904 20 0 BHADRN CCc1ccc(N[C@@H](C)CC2CC2)cc1 ZINC000162832832 202078916 /nfs/dbraw/zinc/07/89/16/202078916.db2.gz ITENPFMAEDCENL-NSHDSACASA-N 0 0 203.329 3.850 20 0 BHADRN CCc1ccc(N[C@H](C)CC2CC2)cc1 ZINC000162832957 202078020 /nfs/dbraw/zinc/07/80/20/202078020.db2.gz ITENPFMAEDCENL-LLVKDONJSA-N 0 0 203.329 3.850 20 0 BHADRN CCc1ccc(N[C@@H](C)c2cscn2)cc1 ZINC000162833340 384692395 /nfs/dbraw/zinc/69/23/95/384692395.db2.gz GMBYVOKQKAXEGF-JTQLQIEISA-N 0 0 232.352 3.879 20 0 BHADRN CCc1ccc(N[C@H](C)c2cscn2)cc1 ZINC000162833483 384692176 /nfs/dbraw/zinc/69/21/76/384692176.db2.gz GMBYVOKQKAXEGF-SNVBAGLBSA-N 0 0 232.352 3.879 20 0 BHADRN Cc1ccc(N[C@@H](C)CC2CC2)cc1F ZINC000162834917 202078773 /nfs/dbraw/zinc/07/87/73/202078773.db2.gz KNXUPMYBHSQAFP-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc(N[C@H](C)CC2CC2)cc1F ZINC000162835054 202078547 /nfs/dbraw/zinc/07/85/47/202078547.db2.gz KNXUPMYBHSQAFP-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN C[C@H](Nc1ccc(Cl)cn1)C(C)(C)C ZINC000162835180 371864402 /nfs/dbraw/zinc/86/44/02/371864402.db2.gz TYUFHKLQVLMLDD-QMMMGPOBSA-N 0 0 212.724 3.582 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cscn2)cc1F ZINC000162835444 384696837 /nfs/dbraw/zinc/69/68/37/384696837.db2.gz AQZOWHXQOJLSDP-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(N[C@H](C)c2cscn2)cc1F ZINC000162835578 350441446 /nfs/dbraw/zinc/44/14/46/350441446.db2.gz AQZOWHXQOJLSDP-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cncs2)cc1F ZINC000162836656 350441570 /nfs/dbraw/zinc/44/15/70/350441570.db2.gz YNQWFZSCJGXFKT-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(N[C@H](C)c2cncs2)cc1F ZINC000162836775 350441635 /nfs/dbraw/zinc/44/16/35/350441635.db2.gz YNQWFZSCJGXFKT-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN COc1ccc(N[C@@H](C)CC2CC2)cc1Cl ZINC000162836897 635141676 /nfs/dbraw/zinc/14/16/76/635141676.db2.gz RYCVLTVWTSFKTO-VIFPVBQESA-N 0 0 239.746 3.949 20 0 BHADRN COc1ccc(N[C@H](C)CC2CC2)cc1Cl ZINC000162837039 633040254 /nfs/dbraw/zinc/04/02/54/633040254.db2.gz RYCVLTVWTSFKTO-SECBINFHSA-N 0 0 239.746 3.949 20 0 BHADRN C[C@@H](Nc1nc(Cl)cs1)C(C)(C)C ZINC000162837797 371864766 /nfs/dbraw/zinc/86/47/66/371864766.db2.gz JDEQJYBEPROYLW-ZCFIWIBFSA-N 0 0 218.753 3.643 20 0 BHADRN CCc1cccc(N[C@@H](C)CC2CC2)c1 ZINC000162837884 202078229 /nfs/dbraw/zinc/07/82/29/202078229.db2.gz ZEQQOMSNYOEOMS-NSHDSACASA-N 0 0 203.329 3.850 20 0 BHADRN CCc1cccc(N[C@H](C)CC2CC2)c1 ZINC000162838006 386339708 /nfs/dbraw/zinc/33/97/08/386339708.db2.gz ZEQQOMSNYOEOMS-LLVKDONJSA-N 0 0 203.329 3.850 20 0 BHADRN CCc1cccc(N[C@@H](C)c2cscn2)c1 ZINC000162838401 384697571 /nfs/dbraw/zinc/69/75/71/384697571.db2.gz XOYODVPMUNQBCU-JTQLQIEISA-N 0 0 232.352 3.879 20 0 BHADRN CCc1cccc(N[C@H](C)c2cscn2)c1 ZINC000162838510 384697037 /nfs/dbraw/zinc/69/70/37/384697037.db2.gz XOYODVPMUNQBCU-SNVBAGLBSA-N 0 0 232.352 3.879 20 0 BHADRN CC1CCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000162840281 346540196 /nfs/dbraw/zinc/54/01/96/346540196.db2.gz YIVRRGFVTMSINR-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCOC[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000162842359 202081085 /nfs/dbraw/zinc/08/10/85/202081085.db2.gz AQXJTADRXDRPAV-GFCCVEGCSA-N 0 0 221.344 3.647 20 0 BHADRN CCOC[C@H](C)Nc1cccc(C(C)C)c1 ZINC000162842443 202081547 /nfs/dbraw/zinc/08/15/47/202081547.db2.gz AQXJTADRXDRPAV-LBPRGKRZSA-N 0 0 221.344 3.647 20 0 BHADRN CO[C@H](C)[C@H](C)Nc1cccc(C(C)C)c1 ZINC000162842571 202081018 /nfs/dbraw/zinc/08/10/18/202081018.db2.gz FVSLHFYCQGOURF-NWDGAFQWSA-N 0 0 221.344 3.645 20 0 BHADRN CO[C@H](C)[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000162842697 202081428 /nfs/dbraw/zinc/08/14/28/202081428.db2.gz FVSLHFYCQGOURF-VXGBXAGGSA-N 0 0 221.344 3.645 20 0 BHADRN CO[C@@H](C)[C@H](C)Nc1cccc(C(C)C)c1 ZINC000162842823 202081046 /nfs/dbraw/zinc/08/10/46/202081046.db2.gz FVSLHFYCQGOURF-RYUDHWBXSA-N 0 0 221.344 3.645 20 0 BHADRN CO[C@@H](C)[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000162842935 202081505 /nfs/dbraw/zinc/08/15/05/202081505.db2.gz FVSLHFYCQGOURF-NEPJUHHUSA-N 0 0 221.344 3.645 20 0 BHADRN c1ccc(NC[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000162843212 202080946 /nfs/dbraw/zinc/08/09/46/202080946.db2.gz CVHWKMRAARNJIJ-ZBFHGGJFSA-N 0 0 223.319 3.902 20 0 BHADRN c1ccc(NC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000162843327 202080990 /nfs/dbraw/zinc/08/09/90/202080990.db2.gz CVHWKMRAARNJIJ-GDBMZVCRSA-N 0 0 223.319 3.902 20 0 BHADRN c1ccc(NC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000162843444 202081173 /nfs/dbraw/zinc/08/11/73/202081173.db2.gz CVHWKMRAARNJIJ-HOCLYGCPSA-N 0 0 223.319 3.902 20 0 BHADRN c1ccc(NC[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000162843572 202081794 /nfs/dbraw/zinc/08/17/94/202081794.db2.gz CVHWKMRAARNJIJ-GOEBONIOSA-N 0 0 223.319 3.902 20 0 BHADRN CCOc1cccc(N[C@@H](C)CC2CC2)c1 ZINC000162848162 388253659 /nfs/dbraw/zinc/25/36/59/388253659.db2.gz AHHRMXOEYCOWEY-NSHDSACASA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cccc(N[C@H](C)CC2CC2)c1 ZINC000162848273 388253330 /nfs/dbraw/zinc/25/33/30/388253330.db2.gz AHHRMXOEYCOWEY-LLVKDONJSA-N 0 0 219.328 3.686 20 0 BHADRN CCC1(C(=O)N[C@@H]2CCC(C)(C)C2)CCCC1 ZINC000162848901 388253567 /nfs/dbraw/zinc/25/35/67/388253567.db2.gz YTNPPAKFZLWVCB-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(C(=O)N[C@H]2CCC(C)(C)C2)CCCC1 ZINC000162849007 529007561 /nfs/dbraw/zinc/00/75/61/529007561.db2.gz YTNPPAKFZLWVCB-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN COc1cc(NCc2ccsc2)ccc1F ZINC000162859692 350442684 /nfs/dbraw/zinc/44/26/84/350442684.db2.gz RECPPZKGJSGUJZ-UHFFFAOYSA-N 0 0 237.299 3.508 20 0 BHADRN CCCC[C@@H](CC)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000162862250 202085123 /nfs/dbraw/zinc/08/51/23/202085123.db2.gz WNXRZJNOHPOVJX-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000162862368 202084134 /nfs/dbraw/zinc/08/41/34/202084134.db2.gz WNXRZJNOHPOVJX-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@@H](CC)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000162862484 202084941 /nfs/dbraw/zinc/08/49/41/202084941.db2.gz WNXRZJNOHPOVJX-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000162862600 202083943 /nfs/dbraw/zinc/08/39/43/202083943.db2.gz WNXRZJNOHPOVJX-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H](CC1CC1)Nc1cccc(Cl)c1 ZINC000162869987 202086479 /nfs/dbraw/zinc/08/64/79/202086479.db2.gz WFPBKQXECYEPAE-VIFPVBQESA-N 0 0 209.720 3.941 20 0 BHADRN C[C@H](CC1CC1)Nc1cccc(Cl)c1 ZINC000162870104 202085994 /nfs/dbraw/zinc/08/59/94/202085994.db2.gz WFPBKQXECYEPAE-SECBINFHSA-N 0 0 209.720 3.941 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)c1cscn1 ZINC000162870505 361368700 /nfs/dbraw/zinc/36/87/00/361368700.db2.gz RTJVALOSQYOWCF-QMMMGPOBSA-N 0 0 238.743 3.970 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)c1cscn1 ZINC000162870620 361368728 /nfs/dbraw/zinc/36/87/28/361368728.db2.gz RTJVALOSQYOWCF-MRVPVSSYSA-N 0 0 238.743 3.970 20 0 BHADRN CCCC[C@@H](C)Nc1ccc(F)c(OC)c1 ZINC000162871184 202085802 /nfs/dbraw/zinc/08/58/02/202085802.db2.gz PDUWZLBVAGNTBE-SNVBAGLBSA-N 0 0 225.307 3.825 20 0 BHADRN CCCC[C@H](C)Nc1ccc(F)c(OC)c1 ZINC000162871292 202086819 /nfs/dbraw/zinc/08/68/19/202086819.db2.gz PDUWZLBVAGNTBE-JTQLQIEISA-N 0 0 225.307 3.825 20 0 BHADRN COc1cc(NC2CCCCC2)ccc1F ZINC000162872120 533025025 /nfs/dbraw/zinc/02/50/25/533025025.db2.gz RPYAMXLWDGJWCP-UHFFFAOYSA-N 0 0 223.291 3.579 20 0 BHADRN C[C@H](Nc1cccc(Cl)n1)C(C)(C)C ZINC000162875256 371873026 /nfs/dbraw/zinc/87/30/26/371873026.db2.gz LYDNHPXVJZMXCV-QMMMGPOBSA-N 0 0 212.724 3.582 20 0 BHADRN Cc1ccoc1C(=O)N1CCCC[C@@H]1CC(C)C ZINC000162881294 324130969 /nfs/dbraw/zinc/13/09/69/324130969.db2.gz CQAZEUCUVRITPG-CYBMUJFWSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1ccoc1C(=O)N1CCCC[C@H]1CC(C)C 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BHADRN Cc1ccc2nc(-c3cc4ccccc4o3)[nH]c2n1 ZINC000162947986 388254894 /nfs/dbraw/zinc/25/48/94/388254894.db2.gz PCQNPYGXCPMSQT-UHFFFAOYSA-N 0 0 249.273 3.680 20 0 BHADRN Cc1cc(N[C@@H](C)CC2CC2)ccc1F ZINC000162950137 202115042 /nfs/dbraw/zinc/11/50/42/202115042.db2.gz RAQHAMJXQFOIGO-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cc(N[C@H](C)CC2CC2)ccc1F ZINC000162950246 202113318 /nfs/dbraw/zinc/11/33/18/202113318.db2.gz RAQHAMJXQFOIGO-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc2nc(-c3ccc(C)c(C)c3)[nH]c2n1 ZINC000162950489 202112715 /nfs/dbraw/zinc/11/27/15/202112715.db2.gz QGTXFVKGVKQTLT-UHFFFAOYSA-N 0 0 237.306 3.550 20 0 BHADRN Cc1cc(N[C@@H](C)c2cscn2)ccc1F ZINC000162950582 178179931 /nfs/dbraw/zinc/17/99/31/178179931.db2.gz BWXZHJKCSWEQCQ-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(N[C@H](C)c2cscn2)ccc1F ZINC000162950666 178188005 /nfs/dbraw/zinc/18/80/05/178188005.db2.gz BWXZHJKCSWEQCQ-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN C[C@@H](CC1CC1)Nc1ccc(F)c(F)c1 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20 0 BHADRN Cc1ccc(F)c(N[C@H](C)c2cncs2)c1 ZINC000162966989 350487493 /nfs/dbraw/zinc/48/74/93/350487493.db2.gz BNWSPAVGLVQVEO-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc2nc(-c3coc4ccccc34)[nH]c2n1 ZINC000162967841 411319324 /nfs/dbraw/zinc/31/93/24/411319324.db2.gz YGNCTMVVDIIPCO-UHFFFAOYSA-N 0 0 249.273 3.680 20 0 BHADRN Fc1ccc2[nH]c(-c3cccs3)nc2c1F ZINC000162972086 202126023 /nfs/dbraw/zinc/12/60/23/202126023.db2.gz KXYKEVCWTFNKIB-UHFFFAOYSA-N 0 0 236.246 3.570 20 0 BHADRN CCC(CC)SCc1nccs1 ZINC000162975147 168396598 /nfs/dbraw/zinc/39/65/98/168396598.db2.gz ZFJIARUPDBHIKZ-UHFFFAOYSA-N 0 0 201.360 3.565 20 0 BHADRN Fc1ccc2[nH]c(-c3ccsc3)nc2c1F ZINC000162976199 350488181 /nfs/dbraw/zinc/48/81/81/350488181.db2.gz GFOXGKVQRXQSBD-UHFFFAOYSA-N 0 0 236.246 3.570 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)CC1CC1 ZINC000162988845 202130005 /nfs/dbraw/zinc/13/00/05/202130005.db2.gz QRMXUGFVIHZQKR-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)CC1CC1 ZINC000162988974 202130565 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20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)c2cscn2)c1 ZINC000163025395 350494951 /nfs/dbraw/zinc/49/49/51/350494951.db2.gz AAVVXNUVYPWIJT-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)c2cscn2)c1 ZINC000163025500 350494864 /nfs/dbraw/zinc/49/48/64/350494864.db2.gz AAVVXNUVYPWIJT-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN C[C@@H](CC1CC1)Nc1ccccc1Cl ZINC000163028380 202146411 /nfs/dbraw/zinc/14/64/11/202146411.db2.gz IFQPMIXFIUJZAV-VIFPVBQESA-N 0 0 209.720 3.941 20 0 BHADRN C[C@H](CC1CC1)Nc1ccccc1Cl ZINC000163028495 202147188 /nfs/dbraw/zinc/14/71/88/202147188.db2.gz IFQPMIXFIUJZAV-SECBINFHSA-N 0 0 209.720 3.941 20 0 BHADRN COc1ccc(Cl)cc1N[C@@H](C)CC1CC1 ZINC000163032554 202147435 /nfs/dbraw/zinc/14/74/35/202147435.db2.gz JDTXWNLIZBGHFK-VIFPVBQESA-N 0 0 239.746 3.949 20 0 BHADRN COc1ccc(Cl)cc1N[C@H](C)CC1CC1 ZINC000163032674 202146712 /nfs/dbraw/zinc/14/67/12/202146712.db2.gz JDTXWNLIZBGHFK-SECBINFHSA-N 0 0 239.746 3.949 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCCC[C@@H]1CC(C)C ZINC000163033192 325722002 /nfs/dbraw/zinc/72/20/02/325722002.db2.gz KZSHFYYGHVNGMR-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N1CCCC[C@@H]1CC(C)C ZINC000163033297 388816882 /nfs/dbraw/zinc/81/68/82/388816882.db2.gz KZSHFYYGHVNGMR-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCCC[C@H]1CC(C)C ZINC000163033412 388816691 /nfs/dbraw/zinc/81/66/91/388816691.db2.gz KZSHFYYGHVNGMR-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N1CCCC[C@H]1CC(C)C ZINC000163033513 325722298 /nfs/dbraw/zinc/72/22/98/325722298.db2.gz KZSHFYYGHVNGMR-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)CC1CC1 ZINC000163037764 202149511 /nfs/dbraw/zinc/14/95/11/202149511.db2.gz LHWYUVJEBACJPZ-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)CC1CC1 ZINC000163037867 202149473 /nfs/dbraw/zinc/14/94/73/202149473.db2.gz LHWYUVJEBACJPZ-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)c1cscn1 ZINC000163038251 384724015 /nfs/dbraw/zinc/72/40/15/384724015.db2.gz HMURSENIPCYBOM-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)c1cscn1 ZINC000163038344 384723498 /nfs/dbraw/zinc/72/34/98/384723498.db2.gz HMURSENIPCYBOM-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN COc1ccc(C)cc1N[C@@H](C)CC1CC1 ZINC000163039465 202147777 /nfs/dbraw/zinc/14/77/77/202147777.db2.gz XOVOYEHJCUVIFW-NSHDSACASA-N 0 0 219.328 3.604 20 0 BHADRN COc1ccc(C)cc1N[C@H](C)CC1CC1 ZINC000163039569 388020133 /nfs/dbraw/zinc/02/01/33/388020133.db2.gz XOVOYEHJCUVIFW-LLVKDONJSA-N 0 0 219.328 3.604 20 0 BHADRN CCCCN(C)C(=O)c1cc(Cl)ccc1C ZINC000163040748 384723121 /nfs/dbraw/zinc/72/31/21/384723121.db2.gz ZEBHGFRWBWCCSM-UHFFFAOYSA-N 0 0 239.746 3.521 20 0 BHADRN CCCCN(C)C(=O)CC1(C)CCCCC1 ZINC000163041025 323076795 /nfs/dbraw/zinc/07/67/95/323076795.db2.gz VLZXTAVPVFIVGT-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)CC2CC2)c1 ZINC000163046460 202154569 /nfs/dbraw/zinc/15/45/69/202154569.db2.gz WJDILXQSOWRICJ-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)CC2CC2)c1 ZINC000163046560 202153392 /nfs/dbraw/zinc/15/33/92/202153392.db2.gz WJDILXQSOWRICJ-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)c2cscn2)c1 ZINC000163046913 178079914 /nfs/dbraw/zinc/07/99/14/178079914.db2.gz WFKBVKPJVXPYBT-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)c2cscn2)c1 ZINC000163046978 178078975 /nfs/dbraw/zinc/07/89/75/178078975.db2.gz WFKBVKPJVXPYBT-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN COc1ccc(N[C@@H](C)CC2CC2)c(C)c1 ZINC000163048029 633046607 /nfs/dbraw/zinc/04/66/07/633046607.db2.gz RAAQEBMAMLXXHM-NSHDSACASA-N 0 0 219.328 3.604 20 0 BHADRN COc1ccc(N[C@H](C)CC2CC2)c(C)c1 ZINC000163048127 633046285 /nfs/dbraw/zinc/04/62/85/633046285.db2.gz RAAQEBMAMLXXHM-LLVKDONJSA-N 0 0 219.328 3.604 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)CC1CC1 ZINC000163048881 202153705 /nfs/dbraw/zinc/15/37/05/202153705.db2.gz WWNRAKHCVNSRMM-VIFPVBQESA-N 0 0 207.292 3.735 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)CC1CC1 ZINC000163049000 202152843 /nfs/dbraw/zinc/15/28/43/202152843.db2.gz WWNRAKHCVNSRMM-SECBINFHSA-N 0 0 207.292 3.735 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)c1cscn1 ZINC000163049367 384726936 /nfs/dbraw/zinc/72/69/36/384726936.db2.gz WUFORMVENGYMHM-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)c1cscn1 ZINC000163049472 384725389 /nfs/dbraw/zinc/72/53/89/384725389.db2.gz WUFORMVENGYMHM-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN COc1cc(C)ccc1N[C@@H](C)CC1CC1 ZINC000163052387 202159614 /nfs/dbraw/zinc/15/96/14/202159614.db2.gz RPSGTTTZEBHYRE-NSHDSACASA-N 0 0 219.328 3.604 20 0 BHADRN COc1cc(C)ccc1N[C@H](C)CC1CC1 ZINC000163052494 202160670 /nfs/dbraw/zinc/16/06/70/202160670.db2.gz RPSGTTTZEBHYRE-LLVKDONJSA-N 0 0 219.328 3.604 20 0 BHADRN Cc1cc(C)cc(NC(=O)C(C2CC2)C2CC2)c1 ZINC000163061248 325741971 /nfs/dbraw/zinc/74/19/71/325741971.db2.gz OUEMPWOPFDIAEW-UHFFFAOYSA-N 0 0 243.350 3.678 20 0 BHADRN COc1ccc(Cl)c(N[C@@H](C)CC2CC2)c1 ZINC000163061493 202161196 /nfs/dbraw/zinc/16/11/96/202161196.db2.gz RRWZRHFAOIDGRJ-VIFPVBQESA-N 0 0 239.746 3.949 20 0 BHADRN COc1ccc(Cl)c(N[C@H](C)CC2CC2)c1 ZINC000163061611 202167781 /nfs/dbraw/zinc/16/77/81/202167781.db2.gz RRWZRHFAOIDGRJ-SECBINFHSA-N 0 0 239.746 3.949 20 0 BHADRN CCOC[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000163066439 388256076 /nfs/dbraw/zinc/25/60/76/388256076.db2.gz MLOAOMIXRRKTHW-MRVPVSSYSA-N 0 0 248.153 3.830 20 0 BHADRN CCOC[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000163066524 388256140 /nfs/dbraw/zinc/25/61/40/388256140.db2.gz MLOAOMIXRRKTHW-QMMMGPOBSA-N 0 0 248.153 3.830 20 0 BHADRN CO[C@H](C)[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000163067292 205591713 /nfs/dbraw/zinc/59/17/13/205591713.db2.gz MOCZQGRPLBNXAC-JGVFFNPUSA-N 0 0 248.153 3.829 20 0 BHADRN CO[C@H](C)[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000163067398 388256429 /nfs/dbraw/zinc/25/64/29/388256429.db2.gz MOCZQGRPLBNXAC-HTQZYQBOSA-N 0 0 248.153 3.829 20 0 BHADRN CO[C@@H](C)[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000163067514 386490391 /nfs/dbraw/zinc/49/03/91/386490391.db2.gz MOCZQGRPLBNXAC-YUMQZZPRSA-N 0 0 248.153 3.829 20 0 BHADRN Cc1ccc(F)cc1NC(=O)C(C1CC1)C1CC1 ZINC000163067570 384730712 /nfs/dbraw/zinc/73/07/12/384730712.db2.gz SFZYRHKYAOSOHC-UHFFFAOYSA-N 0 0 247.313 3.509 20 0 BHADRN CO[C@@H](C)[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000163067630 224889121 /nfs/dbraw/zinc/88/91/21/224889121.db2.gz MOCZQGRPLBNXAC-SFYZADRCSA-N 0 0 248.153 3.829 20 0 BHADRN CCc1ccc(NC(=O)C(C2CC2)C2CC2)cc1 ZINC000163072980 388850647 /nfs/dbraw/zinc/85/06/47/388850647.db2.gz VSYVGAUBHQKFHA-UHFFFAOYSA-N 0 0 243.350 3.624 20 0 BHADRN O=C(NC1CCCCCCC1)C(C1CC1)C1CC1 ZINC000163078849 635358272 /nfs/dbraw/zinc/35/82/72/635358272.db2.gz WDYCAPSHSKPAKW-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN Cc1ccc(NC(=O)C(C2CC2)C2CC2)cc1F ZINC000163096740 325776473 /nfs/dbraw/zinc/77/64/73/325776473.db2.gz UWPDSRBSQVCIMS-UHFFFAOYSA-N 0 0 247.313 3.509 20 0 BHADRN CCSCCOc1cc(Cl)ccc1C ZINC000163102493 386496017 /nfs/dbraw/zinc/49/60/17/386496017.db2.gz YWQGSVXOXNYATF-UHFFFAOYSA-N 0 0 230.760 3.780 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C(C1CC1)C1CC1 ZINC000163112287 634237844 /nfs/dbraw/zinc/23/78/44/634237844.db2.gz UUCJOPDYBDJIHX-LLVKDONJSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)C(C1CC1)C1CC1 ZINC000163112412 634237785 /nfs/dbraw/zinc/23/77/85/634237785.db2.gz UUCJOPDYBDJIHX-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN CCOC1CC(Nc2cc(Cl)ccc2C)C1 ZINC000163117158 202190375 /nfs/dbraw/zinc/19/03/75/202190375.db2.gz ZWEXZTOZNRQCIC-UHFFFAOYSA-N 0 0 239.746 3.628 20 0 BHADRN Fc1ccc(Cl)c(NCc2nccs2)c1 ZINC000163136151 325915222 /nfs/dbraw/zinc/91/52/22/325915222.db2.gz WAVOGSFCLWQXJY-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN Cc1cccc(F)c1NCCc1cccs1 ZINC000163145274 635953986 /nfs/dbraw/zinc/95/39/86/635953986.db2.gz CNFNOJKUJJFOER-UHFFFAOYSA-N 0 0 235.327 3.850 20 0 BHADRN Cc1ccc(NC(=O)C(C2CC2)C2CC2)c(F)c1 ZINC000163149432 178720280 /nfs/dbraw/zinc/72/02/80/178720280.db2.gz PTOSYMCKJRSJLT-UHFFFAOYSA-N 0 0 247.313 3.509 20 0 BHADRN c1cc2cc(OCC3CCCC3)ccc2[nH]1 ZINC000163159989 202230334 /nfs/dbraw/zinc/23/03/34/202230334.db2.gz SOBBSJOQOGZJRH-UHFFFAOYSA-N 0 0 215.296 3.737 20 0 BHADRN CC[C@@H](C)COc1ccc2[nH]ccc2c1 ZINC000163161552 202230652 /nfs/dbraw/zinc/23/06/52/202230652.db2.gz LZUCPVTZDCAYBS-SNVBAGLBSA-N 0 0 203.285 3.593 20 0 BHADRN CC[C@H](C)COc1ccc2[nH]ccc2c1 ZINC000163161711 202236485 /nfs/dbraw/zinc/23/64/85/202236485.db2.gz LZUCPVTZDCAYBS-JTQLQIEISA-N 0 0 203.285 3.593 20 0 BHADRN Cc1ncc(COc2ccc3[nH]ccc3c2)s1 ZINC000163162610 350507544 /nfs/dbraw/zinc/50/75/44/350507544.db2.gz RMVPARMCBWEXCS-UHFFFAOYSA-N 0 0 244.319 3.512 20 0 BHADRN Cc1nc(COc2ccc3[nH]ccc3c2)cs1 ZINC000163164626 134978257 /nfs/dbraw/zinc/97/82/57/134978257.db2.gz FXKYTILCTQWYJS-UHFFFAOYSA-N 0 0 244.319 3.512 20 0 BHADRN Cc1ccc(Cl)c(NCc2nccs2)c1 ZINC000163193361 326071257 /nfs/dbraw/zinc/07/12/57/326071257.db2.gz PNTCIENUKTUREW-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CCc1cccc(NC(=O)C(C2CC2)C2CC2)c1 ZINC000163199035 326076390 /nfs/dbraw/zinc/07/63/90/326076390.db2.gz BQEJCPBFHLHBNN-UHFFFAOYSA-N 0 0 243.350 3.624 20 0 BHADRN CCCC[C@@H](CC)Cn1cnc(C)c1C ZINC000163203234 202265688 /nfs/dbraw/zinc/26/56/88/202265688.db2.gz QPRKKUYAYQRBHV-CYBMUJFWSA-N 0 0 208.349 3.716 20 0 BHADRN CCCC[C@H](CC)Cn1cnc(C)c1C ZINC000163203355 202266907 /nfs/dbraw/zinc/26/69/07/202266907.db2.gz QPRKKUYAYQRBHV-ZDUSSCGKSA-N 0 0 208.349 3.716 20 0 BHADRN CCOC1CC(Nc2ccc(C)c(Cl)c2)C1 ZINC000163208608 202265546 /nfs/dbraw/zinc/26/55/46/202265546.db2.gz UZSCJATURIYISH-UHFFFAOYSA-N 0 0 239.746 3.628 20 0 BHADRN CCC(C)(C)NC(=O)CC1(C)CCCCC1 ZINC000163208682 326096093 /nfs/dbraw/zinc/09/60/93/326096093.db2.gz UYGGOZYZQJMAHJ-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CCC(C)(C)NC(=O)c1cc(Cl)ccc1C ZINC000163208811 326096409 /nfs/dbraw/zinc/09/64/09/326096409.db2.gz RPCIZDIOFXSMSC-UHFFFAOYSA-N 0 0 239.746 3.567 20 0 BHADRN Cc1ccc(F)c(NC(=O)C(C2CC2)C2CC2)c1 ZINC000163248696 205593310 /nfs/dbraw/zinc/59/33/10/205593310.db2.gz MJPKYBHUQCEQNV-UHFFFAOYSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1ccc([C@@H](C)NCc2cc(C)oc2C)o1 ZINC000163249565 636310443 /nfs/dbraw/zinc/31/04/43/636310443.db2.gz WNYCLWKPKOMTMQ-LLVKDONJSA-N 0 0 233.311 3.649 20 0 BHADRN Cc1ccc([C@H](C)NCc2cc(C)oc2C)o1 ZINC000163249625 636309705 /nfs/dbraw/zinc/30/97/05/636309705.db2.gz WNYCLWKPKOMTMQ-NSHDSACASA-N 0 0 233.311 3.649 20 0 BHADRN OCc1ccc(CSc2ccc(F)cc2)cc1 ZINC000163265341 350513213 /nfs/dbraw/zinc/51/32/13/350513213.db2.gz ZSKDJNFZKCWXBS-UHFFFAOYSA-N 0 0 248.322 3.610 20 0 BHADRN C[C@@H]1CCCCN1C(=O)CC1(C)CCCCC1 ZINC000163265781 326276753 /nfs/dbraw/zinc/27/67/53/326276753.db2.gz UGAWGSJOALMLAK-CYBMUJFWSA-N 0 0 237.387 3.748 20 0 BHADRN C[C@H]1CCCCN1C(=O)CC1(C)CCCCC1 ZINC000163265900 326276991 /nfs/dbraw/zinc/27/69/91/326276991.db2.gz UGAWGSJOALMLAK-ZDUSSCGKSA-N 0 0 237.387 3.748 20 0 BHADRN OCc1ccc(CSc2ccccc2F)cc1 ZINC000163265984 350513311 /nfs/dbraw/zinc/51/33/11/350513311.db2.gz AWVWEZXZXLPPPG-UHFFFAOYSA-N 0 0 248.322 3.610 20 0 BHADRN Cc1ccc(SCc2ccc(CO)cc2)cc1 ZINC000163270720 202334732 /nfs/dbraw/zinc/33/47/32/202334732.db2.gz PNFAVALSBIBGOE-UHFFFAOYSA-N 0 0 244.359 3.780 20 0 BHADRN c1ccc(NCc2cccc3c2NCCC3)cc1 ZINC000163271739 636353153 /nfs/dbraw/zinc/35/31/53/636353153.db2.gz MYKHWUADTWBEKT-UHFFFAOYSA-N 0 0 238.334 3.657 20 0 BHADRN Cc1ccccc1SCc1ccc(CO)cc1 ZINC000163274997 202339599 /nfs/dbraw/zinc/33/95/99/202339599.db2.gz LXWDELMFAXEWBE-UHFFFAOYSA-N 0 0 244.359 3.780 20 0 BHADRN Cc1cccc(SCc2ccc(CO)cc2)c1 ZINC000163275372 202340575 /nfs/dbraw/zinc/34/05/75/202340575.db2.gz WLVRHTKZARGAKQ-UHFFFAOYSA-N 0 0 244.359 3.780 20 0 BHADRN OCc1ccc(CSc2cccc(F)c2)cc1 ZINC000163279610 134981734 /nfs/dbraw/zinc/98/17/34/134981734.db2.gz FXEODFUXAPEXDZ-UHFFFAOYSA-N 0 0 248.322 3.610 20 0 BHADRN Cc1cscc1NC(=O)Nc1ccccc1 ZINC000163281042 326321141 /nfs/dbraw/zinc/32/11/41/326321141.db2.gz GKBWSPYRQGECRW-UHFFFAOYSA-N 0 0 232.308 3.701 20 0 BHADRN CCOc1ccc(NCc2cc(C)oc2C)cc1 ZINC000163283652 636370961 /nfs/dbraw/zinc/37/09/61/636370961.db2.gz OXOWHKGUEDXOOU-UHFFFAOYSA-N 0 0 245.322 3.907 20 0 BHADRN COC[C@@H](C)CNc1cc(Cl)cc(Cl)c1 ZINC000163296023 323043539 /nfs/dbraw/zinc/04/35/39/323043539.db2.gz AISPFRDBNUAKBI-QMMMGPOBSA-N 0 0 248.153 3.688 20 0 BHADRN COC[C@H](C)CNc1cc(Cl)cc(Cl)c1 ZINC000163296137 323043689 /nfs/dbraw/zinc/04/36/89/323043689.db2.gz AISPFRDBNUAKBI-MRVPVSSYSA-N 0 0 248.153 3.688 20 0 BHADRN COC[C@@H](C)CNc1ccc(Cl)c(Cl)c1 ZINC000163296296 323043564 /nfs/dbraw/zinc/04/35/64/323043564.db2.gz IJWKSPTZGCEQMQ-QMMMGPOBSA-N 0 0 248.153 3.688 20 0 BHADRN COC[C@H](C)CNc1ccc(Cl)c(Cl)c1 ZINC000163296412 323044966 /nfs/dbraw/zinc/04/49/66/323044966.db2.gz IJWKSPTZGCEQMQ-MRVPVSSYSA-N 0 0 248.153 3.688 20 0 BHADRN CCC1(C(=O)O[C@@H](C)c2cccnc2)CCCC1 ZINC000163311622 636438875 /nfs/dbraw/zinc/43/88/75/636438875.db2.gz GBUIBBKMHNYYDS-LBPRGKRZSA-N 0 0 247.338 3.656 20 0 BHADRN CCC1(C(=O)O[C@H](C)c2cccnc2)CCCC1 ZINC000163311752 636438879 /nfs/dbraw/zinc/43/88/79/636438879.db2.gz GBUIBBKMHNYYDS-GFCCVEGCSA-N 0 0 247.338 3.656 20 0 BHADRN Cc1ccccc1C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000163314717 326400297 /nfs/dbraw/zinc/40/02/97/326400297.db2.gz YZXPPOWRWPTISN-STQMWFEESA-N 0 0 245.366 3.503 20 0 BHADRN Cc1ccccc1C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000163314819 385066490 /nfs/dbraw/zinc/06/64/90/385066490.db2.gz YZXPPOWRWPTISN-OLZOCXBDSA-N 0 0 245.366 3.503 20 0 BHADRN Cc1ccccc1C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000163314907 383888416 /nfs/dbraw/zinc/88/84/16/383888416.db2.gz YZXPPOWRWPTISN-QWHCGFSZSA-N 0 0 245.366 3.503 20 0 BHADRN Cc1ccccc1C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000163315011 326400293 /nfs/dbraw/zinc/40/02/93/326400293.db2.gz YZXPPOWRWPTISN-CHWSQXEVSA-N 0 0 245.366 3.503 20 0 BHADRN Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)C(C)C ZINC000163345475 636515282 /nfs/dbraw/zinc/51/52/82/636515282.db2.gz QZVIMOFXSQTRAI-KPKJPENVSA-N 0 0 247.725 3.781 20 0 BHADRN CNc1ccc(Oc2ccccc2)cc1OC ZINC000163345671 388261812 /nfs/dbraw/zinc/26/18/12/388261812.db2.gz LVSQYQCEMUDIRX-UHFFFAOYSA-N 0 0 229.279 3.529 20 0 BHADRN Cc1ccccc1[C@H](C)S[C@@H]1CCO[C@@H]1C ZINC000163358356 326400569 /nfs/dbraw/zinc/40/05/69/326400569.db2.gz GKRLCOVFDFOSIA-MBNYWOFBSA-N 0 0 236.380 3.967 20 0 BHADRN Cc1ccccc1[C@H](C)S[C@H]1CCO[C@@H]1C ZINC000163358598 323067895 /nfs/dbraw/zinc/06/78/95/323067895.db2.gz GKRLCOVFDFOSIA-DYEKYZERSA-N 0 0 236.380 3.967 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)C2(C)CC2)c1 ZINC000163360551 644161681 /nfs/dbraw/zinc/16/16/81/644161681.db2.gz PSABFEQCVBTGQJ-SNVBAGLBSA-N 0 0 236.286 3.538 20 0 BHADRN Cc1cc(Cl)ccc1/C=C/c1ccncn1 ZINC000163365517 323076906 /nfs/dbraw/zinc/07/69/06/323076906.db2.gz GYBKLRLBQYDLJT-HWKANZROSA-N 0 0 230.698 3.609 20 0 BHADRN C[C@@H]1C[C@H](C)CCN(C(=O)CCC(C)(C)C)C1 ZINC000163372008 388361092 /nfs/dbraw/zinc/36/10/92/388361092.db2.gz DWYPCTZNDLCRDV-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H]1CCN(C(=O)CCC(C)(C)C)C[C@H](C)C1 ZINC000163372116 388361106 /nfs/dbraw/zinc/36/11/06/388361106.db2.gz DWYPCTZNDLCRDV-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H]1CCN(C(=O)CCC(C)(C)C)C[C@@H](C)C1 ZINC000163372262 326400968 /nfs/dbraw/zinc/40/09/68/326400968.db2.gz DWYPCTZNDLCRDV-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H]1CCN(C(=O)CCC(C)(C)C)C[C@@H](C)C1 ZINC000163372376 388360893 /nfs/dbraw/zinc/36/08/93/388360893.db2.gz DWYPCTZNDLCRDV-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H](S[C@@H]1CCO[C@@H]1C)c1cccc(F)c1 ZINC000163377147 388360505 /nfs/dbraw/zinc/36/05/05/388360505.db2.gz ATZGWQFBVPAAAC-GBIKHYSHSA-N 0 0 240.343 3.797 20 0 BHADRN C[C@H](S[C@@H]1CCO[C@H]1C)c1cccc(F)c1 ZINC000163377275 388361326 /nfs/dbraw/zinc/36/13/26/388361326.db2.gz ATZGWQFBVPAAAC-OUJBWJOFSA-N 0 0 240.343 3.797 20 0 BHADRN C[C@H](S[C@H]1CCO[C@@H]1C)c1cccc(F)c1 ZINC000163377455 388360879 /nfs/dbraw/zinc/36/08/79/388360879.db2.gz ATZGWQFBVPAAAC-NRUUGDAUSA-N 0 0 240.343 3.797 20 0 BHADRN c1c2ccccc2oc1CSc1ncccn1 ZINC000163377483 345737837 /nfs/dbraw/zinc/73/78/37/345737837.db2.gz ZHVXSGABQLDILK-UHFFFAOYSA-N 0 0 242.303 3.515 20 0 BHADRN C[C@H](S[C@H]1CCO[C@H]1C)c1cccc(F)c1 ZINC000163377576 388360499 /nfs/dbraw/zinc/36/04/99/388360499.db2.gz ATZGWQFBVPAAAC-KWBADKCTSA-N 0 0 240.343 3.797 20 0 BHADRN CCOc1ccccc1[C@@H](C)[NH2+]C1CC(C)C1 ZINC000163380356 388273413 /nfs/dbraw/zinc/27/34/13/388273413.db2.gz GIMGQKKCABMRKR-OTTFEQOBSA-N 0 0 233.355 3.534 20 0 BHADRN CCOc1ccccc1[C@H](C)[NH2+]C1CC(C)C1 ZINC000163380488 388272759 /nfs/dbraw/zinc/27/27/59/388272759.db2.gz GIMGQKKCABMRKR-CPCZMJQVSA-N 0 0 233.355 3.534 20 0 BHADRN C[C@H](S[C@@H]1CCO[C@@H]1C)c1ccccc1F ZINC000163385487 323002765 /nfs/dbraw/zinc/00/27/65/323002765.db2.gz QXLQHHPDHDLFJN-GBIKHYSHSA-N 0 0 240.343 3.797 20 0 BHADRN C[C@H](S[C@@H]1CCO[C@H]1C)c1ccccc1F ZINC000163385607 323076876 /nfs/dbraw/zinc/07/68/76/323076876.db2.gz QXLQHHPDHDLFJN-OUJBWJOFSA-N 0 0 240.343 3.797 20 0 BHADRN C[C@H](S[C@H]1CCO[C@@H]1C)c1ccccc1F ZINC000163385731 323002692 /nfs/dbraw/zinc/00/26/92/323002692.db2.gz QXLQHHPDHDLFJN-NRUUGDAUSA-N 0 0 240.343 3.797 20 0 BHADRN C[C@H](S[C@H]1CCO[C@H]1C)c1ccccc1F ZINC000163385862 388361895 /nfs/dbraw/zinc/36/18/95/388361895.db2.gz QXLQHHPDHDLFJN-KWBADKCTSA-N 0 0 240.343 3.797 20 0 BHADRN Cc1cc(F)ccc1NC(=O)C(C1CC1)C1CC1 ZINC000163410480 178088092 /nfs/dbraw/zinc/08/80/92/178088092.db2.gz LUDOOUDAUNDETH-UHFFFAOYSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1ccc(NC(=O)Nc2ccsc2)s1 ZINC000163412703 388283706 /nfs/dbraw/zinc/28/37/06/388283706.db2.gz NOADZNUYDVVWNW-UHFFFAOYSA-N 0 0 238.337 3.762 20 0 BHADRN C[C@H](OC(=O)C1=CCCC1)c1cccc(F)c1 ZINC000163439108 636721573 /nfs/dbraw/zinc/72/15/73/636721573.db2.gz QTMDUBBGCNLSPI-JTQLQIEISA-N 0 0 234.270 3.540 20 0 BHADRN CCCC(=O)O[C@@H](C)c1cc(C)ccc1F ZINC000163454269 636740196 /nfs/dbraw/zinc/74/01/96/636740196.db2.gz SJGICJCVYQCLFG-JTQLQIEISA-N 0 0 224.275 3.538 20 0 BHADRN CCCC(=O)O[C@H](C)c1cc(C)ccc1F ZINC000163454398 636739722 /nfs/dbraw/zinc/73/97/22/636739722.db2.gz SJGICJCVYQCLFG-SNVBAGLBSA-N 0 0 224.275 3.538 20 0 BHADRN CC[C@H](NCc1ccco1)c1ccccc1F ZINC000163454433 384807352 /nfs/dbraw/zinc/80/73/52/384807352.db2.gz OSBBYAVZUAYAMZ-AWEZNQCLSA-N 0 0 233.286 3.660 20 0 BHADRN CC[C@@H](NCc1ccco1)c1ccccc1F ZINC000163454549 346560853 /nfs/dbraw/zinc/56/08/53/346560853.db2.gz OSBBYAVZUAYAMZ-CQSZACIVSA-N 0 0 233.286 3.660 20 0 BHADRN Cc1ncccc1N[C@@H](C)CCCC(F)(F)F ZINC000163454752 388294189 /nfs/dbraw/zinc/29/41/89/388294189.db2.gz ZPHDQBZNCVUKGM-VIFPVBQESA-N 0 0 246.276 3.923 20 0 BHADRN Cc1ncccc1N[C@H](C)CCCC(F)(F)F ZINC000163454862 388294182 /nfs/dbraw/zinc/29/41/82/388294182.db2.gz ZPHDQBZNCVUKGM-SECBINFHSA-N 0 0 246.276 3.923 20 0 BHADRN C[C@H]1OCC[C@H]1SCCCCC(F)(F)F ZINC000163470166 326402198 /nfs/dbraw/zinc/40/21/98/326402198.db2.gz XHBLNEGVUVFASK-RKDXNWHRSA-N 0 0 242.306 3.630 20 0 BHADRN C[C@@H]1OCC[C@H]1SCCCCC(F)(F)F ZINC000163470341 326402339 /nfs/dbraw/zinc/40/23/39/326402339.db2.gz XHBLNEGVUVFASK-DTWKUNHWSA-N 0 0 242.306 3.630 20 0 BHADRN C[C@H]1OCC[C@@H]1SCCCCC(F)(F)F ZINC000163470443 323055061 /nfs/dbraw/zinc/05/50/61/323055061.db2.gz XHBLNEGVUVFASK-BDAKNGLRSA-N 0 0 242.306 3.630 20 0 BHADRN C[C@@H]1OCC[C@@H]1SCCCCC(F)(F)F ZINC000163470573 326402289 /nfs/dbraw/zinc/40/22/89/326402289.db2.gz XHBLNEGVUVFASK-IUCAKERBSA-N 0 0 242.306 3.630 20 0 BHADRN CC(C)CSCCCS[C@@H]1CCO[C@@H]1C ZINC000163471121 326402282 /nfs/dbraw/zinc/40/22/82/326402282.db2.gz JANRTDCFAVPING-VXGBXAGGSA-N 0 0 248.457 3.676 20 0 BHADRN CC(C)CSCCCS[C@@H]1CCO[C@H]1C ZINC000163471190 326402216 /nfs/dbraw/zinc/40/22/16/326402216.db2.gz JANRTDCFAVPING-NWDGAFQWSA-N 0 0 248.457 3.676 20 0 BHADRN CC(C)CSCCCS[C@H]1CCO[C@@H]1C ZINC000163471272 388362804 /nfs/dbraw/zinc/36/28/04/388362804.db2.gz JANRTDCFAVPING-NEPJUHHUSA-N 0 0 248.457 3.676 20 0 BHADRN CC(C)CSCCCS[C@H]1CCO[C@H]1C ZINC000163471351 388362916 /nfs/dbraw/zinc/36/29/16/388362916.db2.gz JANRTDCFAVPING-RYUDHWBXSA-N 0 0 248.457 3.676 20 0 BHADRN Cc1ccc(N[C@@H](C)CCCC(F)(F)F)cn1 ZINC000163473156 388299437 /nfs/dbraw/zinc/29/94/37/388299437.db2.gz DDVJVPFOYUQPPB-JTQLQIEISA-N 0 0 246.276 3.923 20 0 BHADRN Cc1ccc(N[C@H](C)CCCC(F)(F)F)cn1 ZINC000163473230 202487056 /nfs/dbraw/zinc/48/70/56/202487056.db2.gz DDVJVPFOYUQPPB-SNVBAGLBSA-N 0 0 246.276 3.923 20 0 BHADRN Cc1ccncc1NC(=O)C(C)(C)C1CCCC1 ZINC000163476417 179490910 /nfs/dbraw/zinc/49/09/10/179490910.db2.gz HNSKFEDPFXRNIP-UHFFFAOYSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1cc(C[NH2+][C@@H]2CCCc3occc32)c(C)o1 ZINC000163493595 633057813 /nfs/dbraw/zinc/05/78/13/633057813.db2.gz ZDHIJIDZHUAHJP-CQSZACIVSA-N 0 0 245.322 3.657 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccccc1 ZINC000163516800 388364231 /nfs/dbraw/zinc/36/42/31/388364231.db2.gz LLQZJIAXCKLGRQ-DZGCQCFKSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@H]1CCCCN1C(=O)[C@@H](C)c1ccccc1 ZINC000163516914 388363825 /nfs/dbraw/zinc/36/38/25/388363825.db2.gz LLQZJIAXCKLGRQ-ZFWWWQNUSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@H](C)c1ccccc1 ZINC000163517021 388364153 /nfs/dbraw/zinc/36/41/53/388364153.db2.gz LLQZJIAXCKLGRQ-UKRRQHHQSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@H]1CCCCN1C(=O)[C@H](C)c1ccccc1 ZINC000163517116 388364750 /nfs/dbraw/zinc/36/47/50/388364750.db2.gz LLQZJIAXCKLGRQ-HIFRSBDPSA-N 0 0 245.366 3.581 20 0 BHADRN CCCC(CCC)C(=O)Nc1ncc(C)s1 ZINC000163524402 326401964 /nfs/dbraw/zinc/40/19/64/326401964.db2.gz QJTXSBZFTBVERC-UHFFFAOYSA-N 0 0 240.372 3.606 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)C2CC=CC2)c1 ZINC000163524648 636889796 /nfs/dbraw/zinc/88/97/96/636889796.db2.gz SYKASTFBPJFBGL-LLVKDONJSA-N 0 0 248.297 3.705 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)C2CC=CC2)c1 ZINC000163524760 636889174 /nfs/dbraw/zinc/88/91/74/636889174.db2.gz SYKASTFBPJFBGL-NSHDSACASA-N 0 0 248.297 3.705 20 0 BHADRN C[C@H](S[C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000163535431 177028527 /nfs/dbraw/zinc/02/85/27/177028527.db2.gz CZDIAQKPGFXUQZ-NTZNESFSSA-N 0 0 222.353 3.658 20 0 BHADRN C[C@H](S[C@@H]1CCO[C@H]1C)c1ccccc1 ZINC000163535534 177028258 /nfs/dbraw/zinc/02/82/58/177028258.db2.gz CZDIAQKPGFXUQZ-GMXVVIOVSA-N 0 0 222.353 3.658 20 0 BHADRN C[C@H](S[C@H]1CCO[C@@H]1C)c1ccccc1 ZINC000163535636 177029355 /nfs/dbraw/zinc/02/93/55/177029355.db2.gz CZDIAQKPGFXUQZ-MDZLAQPJSA-N 0 0 222.353 3.658 20 0 BHADRN C[C@H](S[C@H]1CCO[C@H]1C)c1ccccc1 ZINC000163535740 177029035 /nfs/dbraw/zinc/02/90/35/177029035.db2.gz CZDIAQKPGFXUQZ-GVXVVHGQSA-N 0 0 222.353 3.658 20 0 BHADRN C[C@H]1OCC[C@H]1SCCCc1ccccc1 ZINC000163536277 372009445 /nfs/dbraw/zinc/00/94/45/372009445.db2.gz FHOFENXVSVWXSP-TZMCWYRMSA-N 0 0 236.380 3.530 20 0 BHADRN C[C@@H]1OCC[C@H]1SCCCc1ccccc1 ZINC000163536363 372009362 /nfs/dbraw/zinc/00/93/62/372009362.db2.gz FHOFENXVSVWXSP-GXTWGEPZSA-N 0 0 236.380 3.530 20 0 BHADRN C[C@H]1OCC[C@@H]1SCCCc1ccccc1 ZINC000163536462 372009437 /nfs/dbraw/zinc/00/94/37/372009437.db2.gz FHOFENXVSVWXSP-OCCSQVGLSA-N 0 0 236.380 3.530 20 0 BHADRN C[C@@H]1OCC[C@@H]1SCCCc1ccccc1 ZINC000163536563 372009488 /nfs/dbraw/zinc/00/94/88/372009488.db2.gz FHOFENXVSVWXSP-JSGCOSHPSA-N 0 0 236.380 3.530 20 0 BHADRN Cc1cc(C(=O)Nc2c(C)cccc2C)oc1C ZINC000163547786 388363956 /nfs/dbraw/zinc/36/39/56/388363956.db2.gz GLRYDDHYDSOMMM-UHFFFAOYSA-N 0 0 243.306 3.766 20 0 BHADRN C[C@H](C(=O)NC1CCCCCC1)c1ccccc1 ZINC000163570139 326403595 /nfs/dbraw/zinc/40/35/95/326403595.db2.gz DGFFETGLXOHDPE-ZDUSSCGKSA-N 0 0 245.366 3.629 20 0 BHADRN C[C@@H](C(=O)NC1CCCCCC1)c1ccccc1 ZINC000163570254 326403717 /nfs/dbraw/zinc/40/37/17/326403717.db2.gz DGFFETGLXOHDPE-CYBMUJFWSA-N 0 0 245.366 3.629 20 0 BHADRN Clc1cncnc1NC1CCCCCCC1 ZINC000163576048 386172859 /nfs/dbraw/zinc/17/28/59/386172859.db2.gz JQYISSRYQABTNE-UHFFFAOYSA-N 0 0 239.750 3.655 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)C2CCC2)c1 ZINC000163588227 633060506 /nfs/dbraw/zinc/06/05/06/633060506.db2.gz YAYVFJFJLLQULV-SNVBAGLBSA-N 0 0 236.286 3.538 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)C2CCC2)c1 ZINC000163588333 639231313 /nfs/dbraw/zinc/23/13/13/639231313.db2.gz YAYVFJFJLLQULV-JTQLQIEISA-N 0 0 236.286 3.538 20 0 BHADRN Clc1cncnc1NCCC1CCCCC1 ZINC000163588567 202554463 /nfs/dbraw/zinc/55/44/63/202554463.db2.gz KHGCKDHQYLFYEM-UHFFFAOYSA-N 0 0 239.750 3.512 20 0 BHADRN CCCCC[C@@H](C)Nc1ncncc1Cl ZINC000163596471 387787522 /nfs/dbraw/zinc/78/75/22/387787522.db2.gz BSMKGMOQYNZQMQ-SECBINFHSA-N 0 0 227.739 3.511 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000163596509 350531103 /nfs/dbraw/zinc/53/11/03/350531103.db2.gz KFXZOXGAAATGPB-VHDGCEQUSA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC[C@H](C)Nc1ncncc1Cl ZINC000163596564 168744327 /nfs/dbraw/zinc/74/43/27/168744327.db2.gz BSMKGMOQYNZQMQ-VIFPVBQESA-N 0 0 227.739 3.511 20 0 BHADRN C[C@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000163596625 350531284 /nfs/dbraw/zinc/53/12/84/350531284.db2.gz KFXZOXGAAATGPB-AEGPPILISA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000163596748 136278471 /nfs/dbraw/zinc/27/84/71/136278471.db2.gz KFXZOXGAAATGPB-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000163596867 136278423 /nfs/dbraw/zinc/27/84/23/136278423.db2.gz KFXZOXGAAATGPB-NWANDNLSSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1Nc1ncncc1Cl ZINC000163596943 136278464 /nfs/dbraw/zinc/27/84/64/136278464.db2.gz NUUIQHANFNSRDE-KOLCDFICSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@H]1CCCC[C@@H]1Nc1ncncc1Cl ZINC000163597068 136278397 /nfs/dbraw/zinc/27/83/97/136278397.db2.gz NUUIQHANFNSRDE-ONGXEEELSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@@H]1CCCC[C@H]1Nc1ncncc1Cl ZINC000163597163 535819376 /nfs/dbraw/zinc/81/93/76/535819376.db2.gz NUUIQHANFNSRDE-MWLCHTKSSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@H]1CCCC[C@H]1Nc1ncncc1Cl ZINC000163597278 136278409 /nfs/dbraw/zinc/27/84/09/136278409.db2.gz NUUIQHANFNSRDE-GXSJLCMTSA-N 0 0 239.750 3.511 20 0 BHADRN C[C@H](Nc1ncncc1Cl)C1CCCCC1 ZINC000163608717 386179157 /nfs/dbraw/zinc/17/91/57/386179157.db2.gz ZGLYNPKRRRIDJG-VIFPVBQESA-N 0 0 239.750 3.511 20 0 BHADRN C[C@@H](Nc1ncncc1Cl)C1CCCCC1 ZINC000163608866 386178890 /nfs/dbraw/zinc/17/88/90/386178890.db2.gz ZGLYNPKRRRIDJG-SECBINFHSA-N 0 0 239.750 3.511 20 0 BHADRN CC1(C)CCC(Nc2ncncc2Cl)CC1 ZINC000163618540 167892811 /nfs/dbraw/zinc/89/28/11/167892811.db2.gz WEOKBQSCQMVWRJ-UHFFFAOYSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@@H]1CCC[C@H](Nc2ncncc2Cl)C1 ZINC000163623133 353358918 /nfs/dbraw/zinc/35/89/18/353358918.db2.gz SOGBQYNEMBCLSW-ZJUUUORDSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@H]1CCC[C@H](Nc2ncncc2Cl)C1 ZINC000163623213 384835373 /nfs/dbraw/zinc/83/53/73/384835373.db2.gz SOGBQYNEMBCLSW-UWVGGRQHSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@@H]1CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000163623296 353359014 /nfs/dbraw/zinc/35/90/14/353359014.db2.gz SOGBQYNEMBCLSW-NXEZZACHSA-N 0 0 239.750 3.511 20 0 BHADRN CC[C@H]1CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000163623378 386179317 /nfs/dbraw/zinc/17/93/17/386179317.db2.gz SOGBQYNEMBCLSW-VHSXEESVSA-N 0 0 239.750 3.511 20 0 BHADRN CCc1ccccc1NC(=O)C(C1CC1)C1CC1 ZINC000163630100 188335750 /nfs/dbraw/zinc/33/57/50/188335750.db2.gz IVPHICKYLBCREM-UHFFFAOYSA-N 0 0 243.350 3.624 20 0 BHADRN CC1(C)CCCC[C@@H]1Nc1ncncc1Cl ZINC000163632790 386180699 /nfs/dbraw/zinc/18/06/99/386180699.db2.gz CJSBJFAXEPTCPC-JTQLQIEISA-N 0 0 239.750 3.511 20 0 BHADRN CC1(C)CCCC[C@H]1Nc1ncncc1Cl ZINC000163632930 167894748 /nfs/dbraw/zinc/89/47/48/167894748.db2.gz CJSBJFAXEPTCPC-SNVBAGLBSA-N 0 0 239.750 3.511 20 0 BHADRN CC1(C)CCC[C@H](Nc2ncncc2Cl)C1 ZINC000163636738 135024160 /nfs/dbraw/zinc/02/41/60/135024160.db2.gz PTQFTHUGWJFUHH-VIFPVBQESA-N 0 0 239.750 3.511 20 0 BHADRN CC1(C)CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000163636866 535299971 /nfs/dbraw/zinc/29/99/71/535299971.db2.gz PTQFTHUGWJFUHH-SECBINFHSA-N 0 0 239.750 3.511 20 0 BHADRN C[C@H](S[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1 ZINC000163648541 388365164 /nfs/dbraw/zinc/36/51/64/388365164.db2.gz FJICGCLHZUCLSN-GBIKHYSHSA-N 0 0 240.343 3.797 20 0 BHADRN C[C@H](S[C@@H]1CCO[C@H]1C)c1ccc(F)cc1 ZINC000163648629 388365818 /nfs/dbraw/zinc/36/58/18/388365818.db2.gz FJICGCLHZUCLSN-OUJBWJOFSA-N 0 0 240.343 3.797 20 0 BHADRN C[C@H](S[C@H]1CCO[C@@H]1C)c1ccc(F)cc1 ZINC000163648706 326404418 /nfs/dbraw/zinc/40/44/18/326404418.db2.gz FJICGCLHZUCLSN-NRUUGDAUSA-N 0 0 240.343 3.797 20 0 BHADRN C[C@H](S[C@H]1CCO[C@H]1C)c1ccc(F)cc1 ZINC000163648818 388365506 /nfs/dbraw/zinc/36/55/06/388365506.db2.gz FJICGCLHZUCLSN-KWBADKCTSA-N 0 0 240.343 3.797 20 0 BHADRN CC(C)(C)c1csc(CC(F)(F)F)n1 ZINC000163657888 398324731 /nfs/dbraw/zinc/32/47/31/398324731.db2.gz DDYRUGGOKFXIAP-UHFFFAOYSA-N 0 0 223.263 3.545 20 0 BHADRN C[C@H](NCC(F)F)c1cc2ccccc2s1 ZINC000163658980 538113126 /nfs/dbraw/zinc/11/31/26/538113126.db2.gz INLOGSPBGLSLDJ-QMMMGPOBSA-N 0 0 241.306 3.817 20 0 BHADRN C[C@@H](NCC(F)F)c1cc2ccccc2s1 ZINC000163659076 538930263 /nfs/dbraw/zinc/93/02/63/538930263.db2.gz INLOGSPBGLSLDJ-MRVPVSSYSA-N 0 0 241.306 3.817 20 0 BHADRN Oc1cccc(S[C@H]2C=CCCC2)c1 ZINC000163670130 202610545 /nfs/dbraw/zinc/61/05/45/202610545.db2.gz PPUCOAYIDITCNH-NSHDSACASA-N 0 0 206.310 3.593 20 0 BHADRN Oc1cccc(S[C@@H]2C=CCCC2)c1 ZINC000163670251 202610420 /nfs/dbraw/zinc/61/04/20/202610420.db2.gz PPUCOAYIDITCNH-LLVKDONJSA-N 0 0 206.310 3.593 20 0 BHADRN CC(C)CSCc1nc(C2CC2)cs1 ZINC000163672240 135044057 /nfs/dbraw/zinc/04/40/57/135044057.db2.gz URMJNYBJJVITRB-UHFFFAOYSA-N 0 0 227.398 3.910 20 0 BHADRN CCCSCc1nc(C2CC2)cs1 ZINC000163672594 353359356 /nfs/dbraw/zinc/35/93/56/353359356.db2.gz YVTKBQSZGBEPKP-UHFFFAOYSA-N 0 0 213.371 3.664 20 0 BHADRN CC(C)SCc1nc(C2CC2)cs1 ZINC000163672846 135044175 /nfs/dbraw/zinc/04/41/75/135044175.db2.gz PZFAGEISHBUZFH-UHFFFAOYSA-N 0 0 213.371 3.662 20 0 BHADRN C[C@@H]1OCC[C@H]1SC/C=C/c1ccccc1 ZINC000163678444 388366962 /nfs/dbraw/zinc/36/69/62/388366962.db2.gz BGSBMNPTYINQLV-BZDIYLISSA-N 0 0 234.364 3.610 20 0 BHADRN C[C@@H]1OCC[C@@H]1SC/C=C/c1ccccc1 ZINC000163678708 388366752 /nfs/dbraw/zinc/36/67/52/388366752.db2.gz BGSBMNPTYINQLV-PDCFVHEKSA-N 0 0 234.364 3.610 20 0 BHADRN C[C@H]1OCC[C@H]1SCc1ccc(Cl)cc1 ZINC000163682588 388366525 /nfs/dbraw/zinc/36/65/25/388366525.db2.gz 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236.380 3.967 20 0 BHADRN Cc1cccc([C@H](C)S[C@H]2CCO[C@@H]2C)c1 ZINC000163687087 388366192 /nfs/dbraw/zinc/36/61/92/388366192.db2.gz TVZRPYMQSMYJGE-DYEKYZERSA-N 0 0 236.380 3.967 20 0 BHADRN COc1ccccc1NCc1cc(C)oc1C ZINC000163694943 640409352 /nfs/dbraw/zinc/40/93/52/640409352.db2.gz VZZBNKFUKDHRRC-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN CC(C)c1ccc(NC(=O)Cc2ccoc2)cc1 ZINC000163703433 350757760 /nfs/dbraw/zinc/75/77/60/350757760.db2.gz TYFHEOOERKDHFV-UHFFFAOYSA-N 0 0 243.306 3.584 20 0 BHADRN COc1cc(F)ccc1NCc1cc(C)oc1C ZINC000163705203 640411651 /nfs/dbraw/zinc/41/16/51/640411651.db2.gz JKVFGMUYXOVNIL-UHFFFAOYSA-N 0 0 249.285 3.656 20 0 BHADRN CCCCCCOc1ccc(F)cc1F ZINC000163712060 637388885 /nfs/dbraw/zinc/38/88/85/637388885.db2.gz KUVOLDLAVJAYEJ-UHFFFAOYSA-N 0 0 214.255 3.924 20 0 BHADRN COc1cccc(NCc2cc(C)oc2C)c1 ZINC000163716931 640407265 /nfs/dbraw/zinc/40/72/65/640407265.db2.gz MALNZGIBHWKRAD-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN COc1ccc(NCc2cc(C)oc2C)cc1 ZINC000163717965 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207.317 3.543 20 0 BHADRN C[C@@H]1CCCCCN1c1nc(Cl)cs1 ZINC000165196881 346645506 /nfs/dbraw/zinc/64/55/06/346645506.db2.gz QVORIBZPSKQBNY-MRVPVSSYSA-N 0 0 230.764 3.565 20 0 BHADRN C[C@H]1CCCCCN1c1nc(Cl)cs1 ZINC000165197001 342881451 /nfs/dbraw/zinc/88/14/51/342881451.db2.gz QVORIBZPSKQBNY-QMMMGPOBSA-N 0 0 230.764 3.565 20 0 BHADRN COc1ccc(NCCCC(C)C)cc1F ZINC000165201039 640545339 /nfs/dbraw/zinc/54/53/39/640545339.db2.gz HNEPGMKUNNRVNO-UHFFFAOYSA-N 0 0 225.307 3.682 20 0 BHADRN Clc1csc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000165202964 640548993 /nfs/dbraw/zinc/54/89/93/640548993.db2.gz OZSJHDNNYSKEHF-BDAKNGLRSA-N 0 0 242.775 3.565 20 0 BHADRN Clc1csc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000165203079 633088018 /nfs/dbraw/zinc/08/80/18/633088018.db2.gz OZSJHDNNYSKEHF-IUCAKERBSA-N 0 0 242.775 3.565 20 0 BHADRN CC(C)c1csc(NCc2ccccc2)n1 ZINC000165214392 203382282 /nfs/dbraw/zinc/38/22/82/203382282.db2.gz RMABDGBSMXOKFX-UHFFFAOYSA-N 0 0 232.352 3.879 20 0 BHADRN COCc1cccc(NCCCC(C)C)c1 ZINC000165218063 203382702 /nfs/dbraw/zinc/38/27/02/203382702.db2.gz BYWAZVZNUKJBCR-UHFFFAOYSA-N 0 0 221.344 3.681 20 0 BHADRN COCc1ccccc1NCCCC(C)C ZINC000165218191 203382942 /nfs/dbraw/zinc/38/29/42/203382942.db2.gz CUILKJRDCQRCIC-UHFFFAOYSA-N 0 0 221.344 3.681 20 0 BHADRN CCC(O)(CC)COc1cccc2ccccc21 ZINC000165219497 205620646 /nfs/dbraw/zinc/62/06/46/205620646.db2.gz VURGYTXJDUSGKS-UHFFFAOYSA-N 0 0 244.334 3.770 20 0 BHADRN CCC(O)(CC)COc1ccc2ccccc2c1 ZINC000165219991 203382869 /nfs/dbraw/zinc/38/28/69/203382869.db2.gz KVZWWANXJMARLU-UHFFFAOYSA-N 0 0 244.334 3.770 20 0 BHADRN CCC(O)(CC)COc1ccccc1C(C)C ZINC000165222218 203383184 /nfs/dbraw/zinc/38/31/84/203383184.db2.gz CBJCDQJVMIDGNE-UHFFFAOYSA-N 0 0 236.355 3.740 20 0 BHADRN CCC(O)(CC)COc1cc(C)cc(C)c1C ZINC000165223633 385087705 /nfs/dbraw/zinc/08/77/05/385087705.db2.gz UTBOHNDAXBWLNN-UHFFFAOYSA-N 0 0 236.355 3.542 20 0 BHADRN CCC(O)(CC)COc1ccc(C(C)C)cc1 ZINC000165223887 203382994 /nfs/dbraw/zinc/38/29/94/203382994.db2.gz VKZDSAMBECQXOW-UHFFFAOYSA-N 0 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ZINC000165274902 385095397 /nfs/dbraw/zinc/09/53/97/385095397.db2.gz SQRLEJINJXABKN-SNVBAGLBSA-N 0 0 248.351 3.715 20 0 BHADRN C[C@@H](CC1CCC1)Nc1ccc2c(c1)CCO2 ZINC000165286343 640553184 /nfs/dbraw/zinc/55/31/84/640553184.db2.gz RBOSMUQEQIFWFB-NSHDSACASA-N 0 0 231.339 3.612 20 0 BHADRN C[C@H](CC1CCC1)Nc1ccc2c(c1)CCO2 ZINC000165286464 640552871 /nfs/dbraw/zinc/55/28/71/640552871.db2.gz RBOSMUQEQIFWFB-LLVKDONJSA-N 0 0 231.339 3.612 20 0 BHADRN CC[C@@H]1CCC[C@@H]1Nc1ccc2c(c1)CCO2 ZINC000165286593 640553181 /nfs/dbraw/zinc/55/31/81/640553181.db2.gz CBZYVAWOSBCWOZ-RISCZKNCSA-N 0 0 231.339 3.612 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1ccc2c(c1)CCO2 ZINC000165286709 640553018 /nfs/dbraw/zinc/55/30/18/640553018.db2.gz CBZYVAWOSBCWOZ-FZMZJTMJSA-N 0 0 231.339 3.612 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1ccc2c(c1)CCO2 ZINC000165286831 640552539 /nfs/dbraw/zinc/55/25/39/640552539.db2.gz CBZYVAWOSBCWOZ-BXUZGUMPSA-N 0 0 231.339 3.612 20 0 BHADRN CC[C@H]1CCC[C@H]1Nc1ccc2c(c1)CCO2 ZINC000165286953 640553361 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CZFKIARLJQJDQG-UHFFFAOYSA-N 0 0 219.328 3.760 20 0 BHADRN CCOc1cc(F)ccc1N[C@@H](C)CC1CC1 ZINC000165337439 203383007 /nfs/dbraw/zinc/38/30/07/203383007.db2.gz WWKNWTAJVRWJJW-JTQLQIEISA-N 0 0 237.318 3.825 20 0 BHADRN CCOc1cc(F)ccc1N[C@H](C)CC1CC1 ZINC000165337546 203382470 /nfs/dbraw/zinc/38/24/70/203382470.db2.gz WWKNWTAJVRWJJW-SNVBAGLBSA-N 0 0 237.318 3.825 20 0 BHADRN CC(C)CCCOc1cccc2c1CCC2=O ZINC000165354915 203383363 /nfs/dbraw/zinc/38/33/63/203383363.db2.gz LIAZPNLJFFLOJH-UHFFFAOYSA-N 0 0 232.323 3.631 20 0 BHADRN CC(=O)Cc1ccc(OCCCC(C)C)cc1 ZINC000165355446 203383818 /nfs/dbraw/zinc/38/38/18/203383818.db2.gz LAPLZPUPRUVCOO-UHFFFAOYSA-N 0 0 234.339 3.633 20 0 BHADRN Cc1cc2c(ccnc2NC(C2CC2)C2CC2)o1 ZINC000165369183 133653959 /nfs/dbraw/zinc/65/39/59/133653959.db2.gz ZUKLIUOKTJTCHP-UHFFFAOYSA-N 0 0 242.322 3.737 20 0 BHADRN Cc1cccc(NCCc2cccc(F)c2F)c1 ZINC000165381676 345720415 /nfs/dbraw/zinc/72/04/15/345720415.db2.gz SRYACONYKVICOP-UHFFFAOYSA-N 0 0 247.288 3.928 20 0 BHADRN 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ZINC000165957228 385211159 /nfs/dbraw/zinc/21/11/59/385211159.db2.gz MUIHIVNMRLQUPZ-INIZCTEOSA-N 0 0 241.334 3.755 20 0 BHADRN CCc1ccccc1C(=O)Nc1ccc(C)cc1 ZINC000166041355 203387902 /nfs/dbraw/zinc/38/79/02/203387902.db2.gz TXYVLLNIHMRYSA-UHFFFAOYSA-N 0 0 239.318 3.810 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)C(C)C ZINC000166088537 640613757 /nfs/dbraw/zinc/61/37/57/640613757.db2.gz BWPDWQCDWWTXAC-LLVKDONJSA-N 0 0 200.322 3.545 20 0 BHADRN CCCCCC[C@H](C)OC(=O)C(C)C ZINC000166088649 640613728 /nfs/dbraw/zinc/61/37/28/640613728.db2.gz BWPDWQCDWWTXAC-NSHDSACASA-N 0 0 200.322 3.545 20 0 BHADRN Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C)cc1 ZINC000166103642 346665625 /nfs/dbraw/zinc/66/56/25/346665625.db2.gz LSVNDZZLHQIFLO-ZFWWWQNUSA-N 0 0 245.366 3.551 20 0 BHADRN Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2C)cc1 ZINC000166103767 361848685 /nfs/dbraw/zinc/84/86/85/361848685.db2.gz LSVNDZZLHQIFLO-DZGCQCFKSA-N 0 0 245.366 3.551 20 0 BHADRN Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C)cc1 ZINC000166103876 345721579 /nfs/dbraw/zinc/72/15/79/345721579.db2.gz LSVNDZZLHQIFLO-HIFRSBDPSA-N 0 0 245.366 3.551 20 0 BHADRN Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2C)cc1 ZINC000166103996 361847961 /nfs/dbraw/zinc/84/79/61/361847961.db2.gz LSVNDZZLHQIFLO-UKRRQHHQSA-N 0 0 245.366 3.551 20 0 BHADRN CC[C@@H](O)c1cccc(-c2cccc(OC)c2)c1 ZINC000166104312 640612280 /nfs/dbraw/zinc/61/22/80/640612280.db2.gz WZTGGWITOBIQMM-MRXNPFEDSA-N 0 0 242.318 3.806 20 0 BHADRN CC[C@H](O)c1cccc(-c2cccc(OC)c2)c1 ZINC000166104433 640611936 /nfs/dbraw/zinc/61/19/36/640611936.db2.gz WZTGGWITOBIQMM-INIZCTEOSA-N 0 0 242.318 3.806 20 0 BHADRN Cc1ccc(C(=O)NC[C@@H]2CCCC2(C)C)cc1 ZINC000166119328 345721001 /nfs/dbraw/zinc/72/10/01/345721001.db2.gz WVHYIQYMJPBXSL-AWEZNQCLSA-N 0 0 245.366 3.551 20 0 BHADRN Cc1ccc(C(=O)NC[C@H]2CCCC2(C)C)cc1 ZINC000166119445 346665276 /nfs/dbraw/zinc/66/52/76/346665276.db2.gz WVHYIQYMJPBXSL-CQSZACIVSA-N 0 0 245.366 3.551 20 0 BHADRN CCCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000166220760 203388505 /nfs/dbraw/zinc/38/85/05/203388505.db2.gz JTHNGKFBTIAROC-JTQLQIEISA-N 0 0 241.762 3.799 20 0 BHADRN CCCC[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000166220883 203387382 /nfs/dbraw/zinc/38/73/82/203387382.db2.gz JTHNGKFBTIAROC-SNVBAGLBSA-N 0 0 241.762 3.799 20 0 BHADRN OCc1ccc(CSC2CCCCC2)cc1 ZINC000166237005 203387168 /nfs/dbraw/zinc/38/71/68/203387168.db2.gz DPAXBNAADPLSCD-UHFFFAOYSA-N 0 0 236.380 3.745 20 0 BHADRN OCc1ccc(CSc2cccs2)cc1 ZINC000166237942 203388337 /nfs/dbraw/zinc/38/83/37/203388337.db2.gz MHVFQQSTVLTFOV-UHFFFAOYSA-N 0 0 236.361 3.533 20 0 BHADRN CCc1ccc([C@@H](C)[NH2+]CCC(C)C)o1 ZINC000166272725 203387469 /nfs/dbraw/zinc/38/74/69/203387469.db2.gz YADTUGMMLUJISQ-LLVKDONJSA-N 0 0 209.333 3.539 20 0 BHADRN CCc1ccc([C@H](C)[NH2+]CCC(C)C)o1 ZINC000166272832 203388253 /nfs/dbraw/zinc/38/82/53/203388253.db2.gz YADTUGMMLUJISQ-NSHDSACASA-N 0 0 209.333 3.539 20 0 BHADRN CC(C)c1nc(Cc2ccccc2)cs1 ZINC000166276732 203387036 /nfs/dbraw/zinc/38/70/36/203387036.db2.gz SWRKZQXAWOUXJO-UHFFFAOYSA-N 0 0 217.337 3.857 20 0 BHADRN OCc1ccc(CSCC2CCCC2)cc1 ZINC000166278169 203388501 /nfs/dbraw/zinc/38/85/01/203388501.db2.gz UBDATLOMWQIIQU-UHFFFAOYSA-N 0 0 236.380 3.602 20 0 BHADRN Clc1cc(NC[C@H]2CC=CCC2)ccn1 ZINC000166310433 136343199 /nfs/dbraw/zinc/34/31/99/136343199.db2.gz JPVNXIMYGKXMCK-JTQLQIEISA-N 0 0 222.719 3.503 20 0 BHADRN Clc1cc(NC[C@@H]2CC=CCC2)ccn1 ZINC000166310560 136343153 /nfs/dbraw/zinc/34/31/53/136343153.db2.gz JPVNXIMYGKXMCK-SNVBAGLBSA-N 0 0 222.719 3.503 20 0 BHADRN Clc1ccc(CNc2ccnc(Cl)c2)o1 ZINC000166312633 640628648 /nfs/dbraw/zinc/62/86/48/640628648.db2.gz ROQGFKHHJUOAHX-UHFFFAOYSA-N 0 0 243.093 3.594 20 0 BHADRN Cc1cccc(CNc2ccnc(Cl)c2)c1 ZINC000166313452 136345118 /nfs/dbraw/zinc/34/51/18/136345118.db2.gz GWQDLMNUFZTQAC-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN CC(C)(C)CCNc1ccnc(Cl)c1 ZINC000166314509 344854309 /nfs/dbraw/zinc/85/43/09/344854309.db2.gz OACKKYPLTHGZIF-UHFFFAOYSA-N 0 0 212.724 3.583 20 0 BHADRN Cc1ccc(CNc2ccnc(Cl)c2)s1 ZINC000166315023 136346376 /nfs/dbraw/zinc/34/63/76/136346376.db2.gz XJEWYWQUORNWIK-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1n[nH]c(C)c1-c1ccc(C)cc1Cl ZINC000166315344 643588420 /nfs/dbraw/zinc/58/84/20/643588420.db2.gz BPIYTZSKHQNUQB-UHFFFAOYSA-N 0 0 220.703 3.655 20 0 BHADRN CC(C)CCCOc1ccc(Cl)nc1 ZINC000166326325 640629532 /nfs/dbraw/zinc/62/95/32/640629532.db2.gz RBXFVWHVANUKNC-UHFFFAOYSA-N 0 0 213.708 3.550 20 0 BHADRN O=c1c2ccsc2ccn1CC1CCCCC1 ZINC000166441197 229173318 /nfs/dbraw/zinc/17/33/18/229173318.db2.gz ZZUDLIKHFKSWLW-UHFFFAOYSA-N 0 0 247.363 3.643 20 0 BHADRN CC[C@H](Nc1cnn(CC)c1)c1cccc(F)c1 ZINC000166453730 385243209 /nfs/dbraw/zinc/24/32/09/385243209.db2.gz IBIUIRPYBZGRBY-AWEZNQCLSA-N 0 0 247.317 3.605 20 0 BHADRN CC[C@@H](Nc1cnn(CC)c1)c1cccc(F)c1 ZINC000166453845 346676918 /nfs/dbraw/zinc/67/69/18/346676918.db2.gz IBIUIRPYBZGRBY-CQSZACIVSA-N 0 0 247.317 3.605 20 0 BHADRN CC(C)(C)[C@@H]1CCN(c2nc(Cl)cs2)C1 ZINC000166484041 355532887 /nfs/dbraw/zinc/53/28/87/355532887.db2.gz ABPMCVGTJMRBGG-MRVPVSSYSA-N 0 0 244.791 3.669 20 0 BHADRN CC(C)(C)[C@H]1CCN(c2nc(Cl)cs2)C1 ZINC000166484140 355532841 /nfs/dbraw/zinc/53/28/41/355532841.db2.gz ABPMCVGTJMRBGG-QMMMGPOBSA-N 0 0 244.791 3.669 20 0 BHADRN CC(C)(C)[C@@H]1CCN(c2cccc(Cl)n2)C1 ZINC000166484264 636129422 /nfs/dbraw/zinc/12/94/22/636129422.db2.gz UXXBNYJPQGKRAM-SNVBAGLBSA-N 0 0 238.762 3.607 20 0 BHADRN CC(C)(C)[C@H]1CCN(c2cccc(Cl)n2)C1 ZINC000166484390 711794291 /nfs/dbraw/zinc/79/42/91/711794291.db2.gz UXXBNYJPQGKRAM-JTQLQIEISA-N 0 0 238.762 3.607 20 0 BHADRN O=C(Nc1ccc(C2CC2)cc1)c1ccccc1 ZINC000166503582 538726712 /nfs/dbraw/zinc/72/67/12/538726712.db2.gz LMAXFNOREWIWHA-UHFFFAOYSA-N 0 0 237.302 3.816 20 0 BHADRN CCCCCCOC(=O)c1ccc(C(C)=O)cc1 ZINC000166544605 640648196 /nfs/dbraw/zinc/64/81/96/640648196.db2.gz CBMJNPQQIPFUNG-UHFFFAOYSA-N 0 0 248.322 3.626 20 0 BHADRN Cc1cccc(NCCc2ccccc2F)c1 ZINC000166573594 346682287 /nfs/dbraw/zinc/68/22/87/346682287.db2.gz ZNUQIAKOEGVIFJ-UHFFFAOYSA-N 0 0 229.298 3.789 20 0 BHADRN CCc1ccc(-c2c(OC)cccc2OC)cc1 ZINC000166606923 488097976 /nfs/dbraw/zinc/09/79/76/488097976.db2.gz REIVFGWCESVEGT-UHFFFAOYSA-N 0 0 242.318 3.933 20 0 BHADRN CC(C)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000166641215 385267457 /nfs/dbraw/zinc/26/74/57/385267457.db2.gz DGHXBQCPOQMDEZ-UHFFFAOYSA-N 0 0 246.354 3.587 20 0 BHADRN O=C(OC/C=C\c1ccccc1)[C@H]1CC=CCC1 ZINC000166673403 640662198 /nfs/dbraw/zinc/66/21/98/640662198.db2.gz YZGCMWBSLIDSGT-XMELGKRDSA-N 0 0 242.318 3.599 20 0 BHADRN O=C(OC/C=C/c1ccccc1)[C@H]1CC=CCC1 ZINC000166673506 640659923 /nfs/dbraw/zinc/65/99/23/640659923.db2.gz YZGCMWBSLIDSGT-VSGCLNPGSA-N 0 0 242.318 3.599 20 0 BHADRN O=C(OC/C=C\c1ccccc1)[C@@H]1CC=CCC1 ZINC000166673606 643590655 /nfs/dbraw/zinc/59/06/55/643590655.db2.gz YZGCMWBSLIDSGT-YYRKOSNBSA-N 0 0 242.318 3.599 20 0 BHADRN C[C@@H](CCCC(F)(F)F)Nc1nccs1 ZINC000166685446 711827331 /nfs/dbraw/zinc/82/73/31/711827331.db2.gz HYNQHGYCVDEVLE-ZETCQYMHSA-N 0 0 238.278 3.676 20 0 BHADRN C[C@H](CCCC(F)(F)F)Nc1nccs1 ZINC000166685556 711827326 /nfs/dbraw/zinc/82/73/26/711827326.db2.gz HYNQHGYCVDEVLE-SSDOTTSWSA-N 0 0 238.278 3.676 20 0 BHADRN CC(C)=CC(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000166712692 711827612 /nfs/dbraw/zinc/82/76/12/711827612.db2.gz MPQGLLAMRQFZGJ-UHFFFAOYSA-N 0 0 232.323 3.856 20 0 BHADRN CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000166846572 491081482 /nfs/dbraw/zinc/08/14/82/491081482.db2.gz FTESQUMWSVNPDZ-MXWKQRLJSA-N 0 0 240.778 3.820 20 0 BHADRN CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000166846768 491081475 /nfs/dbraw/zinc/08/14/75/491081475.db2.gz FTESQUMWSVNPDZ-VWYCJHECSA-N 0 0 240.778 3.820 20 0 BHADRN CCCCCCN(C#N)c1ccccc1 ZINC000166865936 643597726 /nfs/dbraw/zinc/59/77/26/643597726.db2.gz WYKVQLMFMBXRLQ-UHFFFAOYSA-N 0 0 202.301 3.554 20 0 BHADRN CC[C@@H](F)CNc1cccc(C(F)(F)F)c1 ZINC000166903711 345722210 /nfs/dbraw/zinc/72/22/10/345722210.db2.gz NLRJUKBKGHAYAT-SECBINFHSA-N 0 0 235.224 3.865 20 0 BHADRN CC[C@H](F)CNc1cccc(C(F)(F)F)c1 ZINC000166903841 361859410 /nfs/dbraw/zinc/85/94/10/361859410.db2.gz NLRJUKBKGHAYAT-VIFPVBQESA-N 0 0 235.224 3.865 20 0 BHADRN CC(C)(C)CCCC(=O)Nc1ccccc1 ZINC000166906368 345722190 /nfs/dbraw/zinc/72/21/90/345722190.db2.gz CNKFUFMFHIZCHY-UHFFFAOYSA-N 0 0 219.328 3.842 20 0 BHADRN CCC/C=C/C(=O)N(CCCC)CCCC ZINC000166934574 633123187 /nfs/dbraw/zinc/12/31/87/633123187.db2.gz VLHPZTFZTMBOGI-ZHACJKMWSA-N 0 0 225.376 3.772 20 0 BHADRN Cc1cccc([C@H](C)N[C@@H](C)c2cscn2)c1 ZINC000166950757 388435376 /nfs/dbraw/zinc/43/53/76/388435376.db2.gz PXAISMYNQFGQHL-RYUDHWBXSA-N 0 0 246.379 3.863 20 0 BHADRN Cc1cccc([C@H](C)N[C@H](C)c2cscn2)c1 ZINC000166950865 388434960 /nfs/dbraw/zinc/43/49/60/388434960.db2.gz PXAISMYNQFGQHL-NWDGAFQWSA-N 0 0 246.379 3.863 20 0 BHADRN CCCCOC(=O)[C@@H]1CCCc2sccc21 ZINC000167014814 633123139 /nfs/dbraw/zinc/12/31/39/633123139.db2.gz CFIDMMKFKTUIEE-LLVKDONJSA-N 0 0 238.352 3.511 20 0 BHADRN C[C@@H](CC1CCC1)Nc1cccc(CCCO)c1 ZINC000167062327 538099824 /nfs/dbraw/zinc/09/98/24/538099824.db2.gz AUCSGFABNULOLY-ZDUSSCGKSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@H](CC1CCC1)Nc1cccc(CCCO)c1 ZINC000167062434 538940060 /nfs/dbraw/zinc/94/00/60/538940060.db2.gz AUCSGFABNULOLY-CYBMUJFWSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@@H]1CCC[C@@H]1Nc1cccc(CCCO)c1 ZINC000167064025 388438176 /nfs/dbraw/zinc/43/81/76/388438176.db2.gz OWQAXFNBACKWMG-ZBFHGGJFSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1cccc(CCCO)c1 ZINC000167064114 388438328 /nfs/dbraw/zinc/43/83/28/388438328.db2.gz OWQAXFNBACKWMG-HOCLYGCPSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1cccc(CCCO)c1 ZINC000167064157 326438970 /nfs/dbraw/zinc/43/89/70/326438970.db2.gz OWQAXFNBACKWMG-GDBMZVCRSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@H]1CCC[C@H]1Nc1cccc(CCCO)c1 ZINC000167064254 388438469 /nfs/dbraw/zinc/43/84/69/388438469.db2.gz OWQAXFNBACKWMG-GOEBONIOSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccc2ccccc2c1 ZINC000167117236 633125944 /nfs/dbraw/zinc/12/59/44/633125944.db2.gz CCTCWPTZTLIMAD-BXUZGUMPSA-N 0 0 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3.879 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)[C@H](C)C(C)C ZINC000171881279 365251340 /nfs/dbraw/zinc/25/13/40/365251340.db2.gz MVGQNMDJAHSVKF-SECBINFHSA-N 0 0 239.746 3.879 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000171881322 365251473 /nfs/dbraw/zinc/25/14/73/365251473.db2.gz IWEXNOGMOGBKLT-SECBINFHSA-N 0 0 248.351 3.527 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000171881323 365251368 /nfs/dbraw/zinc/25/13/68/365251368.db2.gz IWEXNOGMOGBKLT-VIFPVBQESA-N 0 0 248.351 3.527 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)C(C)C)c(Cl)c1 ZINC000171881342 365252105 /nfs/dbraw/zinc/25/21/05/365252105.db2.gz KZCCNACUAYNKQB-JTQLQIEISA-N 0 0 239.746 3.879 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)C(C)C)c(Cl)c1 ZINC000171881343 365251320 /nfs/dbraw/zinc/25/13/20/365251320.db2.gz KZCCNACUAYNKQB-SNVBAGLBSA-N 0 0 239.746 3.879 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000171881482 167353934 /nfs/dbraw/zinc/35/39/34/167353934.db2.gz FIYTWJLGJIBXQH-MRVPVSSYSA-N 0 0 243.709 3.710 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000171881483 385528627 /nfs/dbraw/zinc/52/86/27/385528627.db2.gz FIYTWJLGJIBXQH-QMMMGPOBSA-N 0 0 243.709 3.710 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H](C)C(C)C)c1 ZINC000171881515 345093904 /nfs/dbraw/zinc/09/39/04/345093904.db2.gz XQIBIQYSJIRISP-LBPRGKRZSA-N 0 0 219.328 3.534 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@H](C)C(C)C)c1 ZINC000171881516 345093832 /nfs/dbraw/zinc/09/38/32/345093832.db2.gz XQIBIQYSJIRISP-GFCCVEGCSA-N 0 0 219.328 3.534 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000171881521 365250988 /nfs/dbraw/zinc/25/09/88/365250988.db2.gz LZPGVQQBQAYSRJ-MRVPVSSYSA-N 0 0 243.709 3.710 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000171881522 365251882 /nfs/dbraw/zinc/25/18/82/365251882.db2.gz LZPGVQQBQAYSRJ-QMMMGPOBSA-N 0 0 243.709 3.710 20 0 BHADRN CC(C)[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000171881548 641019823 /nfs/dbraw/zinc/01/98/23/641019823.db2.gz NYQDAEICJKGABC-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)[C@H](C)C(=O)NC1CCCCCCC1 ZINC000171881550 641020205 /nfs/dbraw/zinc/02/02/05/641020205.db2.gz NYQDAEICJKGABC-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CSc1ccccc1NC(=O)[C@H](C)C(C)C ZINC000171881600 385528537 /nfs/dbraw/zinc/52/85/37/385528537.db2.gz WEYFQXGSXRJEIM-SNVBAGLBSA-N 0 0 237.368 3.639 20 0 BHADRN CSc1ccccc1NC(=O)[C@@H](C)C(C)C ZINC000171881601 385528462 /nfs/dbraw/zinc/52/84/62/385528462.db2.gz WEYFQXGSXRJEIM-JTQLQIEISA-N 0 0 237.368 3.639 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)C(C)C ZINC000171881765 365251171 /nfs/dbraw/zinc/25/11/71/365251171.db2.gz KCXUYKSRSYACGO-JTQLQIEISA-N 0 0 239.746 3.879 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)C(C)C ZINC000171881767 365251464 /nfs/dbraw/zinc/25/14/64/365251464.db2.gz KCXUYKSRSYACGO-SNVBAGLBSA-N 0 0 239.746 3.879 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H](C)C(C)C ZINC000171881774 179042508 /nfs/dbraw/zinc/04/25/08/179042508.db2.gz YFPWZXOXDMEMSS-LBPRGKRZSA-N 0 0 219.328 3.534 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H](C)C(C)C ZINC000171881775 179041966 /nfs/dbraw/zinc/04/19/66/179041966.db2.gz YFPWZXOXDMEMSS-GFCCVEGCSA-N 0 0 219.328 3.534 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)Nc1ccccc1C ZINC000171885303 170695338 /nfs/dbraw/zinc/69/53/38/170695338.db2.gz OPLKBNJFQPOHEE-LLVKDONJSA-N 0 0 234.343 3.505 20 0 BHADRN CC[C@H](C)CN(C)C(=O)Nc1ccccc1C ZINC000171885304 171270251 /nfs/dbraw/zinc/27/02/51/171270251.db2.gz OPLKBNJFQPOHEE-NSHDSACASA-N 0 0 234.343 3.505 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)Nc1ccc(C)cc1C ZINC000171885353 385529072 /nfs/dbraw/zinc/52/90/72/385529072.db2.gz LNIONVCCIRMUOP-LLVKDONJSA-N 0 0 248.370 3.813 20 0 BHADRN CC[C@H](C)CN(C)C(=O)Nc1ccc(C)cc1C ZINC000171885354 171270255 /nfs/dbraw/zinc/27/02/55/171270255.db2.gz LNIONVCCIRMUOP-NSHDSACASA-N 0 0 248.370 3.813 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)Nc1ccc(C)c(C)c1 ZINC000171885376 365251216 /nfs/dbraw/zinc/25/12/16/365251216.db2.gz HFUWAFJGXQPTJA-LLVKDONJSA-N 0 0 248.370 3.813 20 0 BHADRN CC[C@H](C)CN(C)C(=O)Nc1ccc(C)c(C)c1 ZINC000171885378 365252110 /nfs/dbraw/zinc/25/21/10/365252110.db2.gz HFUWAFJGXQPTJA-NSHDSACASA-N 0 0 248.370 3.813 20 0 BHADRN CC(C)c1noc(CSc2cccs2)n1 ZINC000171910008 385530574 /nfs/dbraw/zinc/53/05/74/385530574.db2.gz YVWMRKVYBQAWSD-UHFFFAOYSA-N 0 0 240.353 3.547 20 0 BHADRN CCCN(Cc1ccccc1)C(=O)[C@@H](C)C(C)C ZINC000171910328 365254597 /nfs/dbraw/zinc/25/45/97/365254597.db2.gz PYCCTUAWKINODX-AWEZNQCLSA-N 0 0 247.382 3.717 20 0 BHADRN CCCN(Cc1ccccc1)C(=O)[C@H](C)C(C)C ZINC000171910330 365253804 /nfs/dbraw/zinc/25/38/04/365253804.db2.gz PYCCTUAWKINODX-CQSZACIVSA-N 0 0 247.382 3.717 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1cccc(Cl)c1F ZINC000171910895 365254477 /nfs/dbraw/zinc/25/44/77/365254477.db2.gz ZTQVYUMNSUZSSY-MRVPVSSYSA-N 0 0 243.709 3.710 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1cccc(Cl)c1F ZINC000171910897 365254378 /nfs/dbraw/zinc/25/43/78/365254378.db2.gz ZTQVYUMNSUZSSY-QMMMGPOBSA-N 0 0 243.709 3.710 20 0 BHADRN CCCOc1ccccc1NC(=O)[C@@H](C)C(C)C ZINC000171910906 169327496 /nfs/dbraw/zinc/32/74/96/169327496.db2.gz RJVWXXORQKJIEZ-LBPRGKRZSA-N 0 0 249.354 3.706 20 0 BHADRN CCCOc1ccccc1NC(=O)[C@H](C)C(C)C ZINC000171910908 169327627 /nfs/dbraw/zinc/32/76/27/169327627.db2.gz RJVWXXORQKJIEZ-GFCCVEGCSA-N 0 0 249.354 3.706 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000171911493 365254288 /nfs/dbraw/zinc/25/42/88/365254288.db2.gz BDYRLOJJIPEQML-MRVPVSSYSA-N 0 0 243.709 3.710 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000171911496 365253869 /nfs/dbraw/zinc/25/38/69/365253869.db2.gz BDYRLOJJIPEQML-QMMMGPOBSA-N 0 0 243.709 3.710 20 0 BHADRN CSc1ccc(OC(=O)[C@H](C)C(C)C)cc1 ZINC000171911777 641024289 /nfs/dbraw/zinc/02/42/89/641024289.db2.gz DWNONVOWWFQWEP-SNVBAGLBSA-N 0 0 238.352 3.606 20 0 BHADRN CSc1ccc(OC(=O)[C@@H](C)C(C)C)cc1 ZINC000171911780 641024407 /nfs/dbraw/zinc/02/44/07/641024407.db2.gz DWNONVOWWFQWEP-JTQLQIEISA-N 0 0 238.352 3.606 20 0 BHADRN CC[C@@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000171913047 365254557 /nfs/dbraw/zinc/25/45/57/365254557.db2.gz UBTWCDNWGWDRIF-KBPBESRZSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@H](CNC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000171913051 365253839 /nfs/dbraw/zinc/25/38/39/365253839.db2.gz UBTWCDNWGWDRIF-UONOGXRCSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC000171913054 365253854 /nfs/dbraw/zinc/25/38/54/365253854.db2.gz UBTWCDNWGWDRIF-KGLIPLIRSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@H](CNC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC000171913058 365254582 /nfs/dbraw/zinc/25/45/82/365254582.db2.gz UBTWCDNWGWDRIF-ZIAGYGMSSA-N 0 0 247.382 3.589 20 0 BHADRN CSc1ccc(NC(=O)[C@H](C)C(C)C)cc1 ZINC000171914385 385530360 /nfs/dbraw/zinc/53/03/60/385530360.db2.gz ZFJHQTJILNTRQG-SNVBAGLBSA-N 0 0 237.368 3.639 20 0 BHADRN CSc1ccc(NC(=O)[C@@H](C)C(C)C)cc1 ZINC000171914389 187304282 /nfs/dbraw/zinc/30/42/82/187304282.db2.gz ZFJHQTJILNTRQG-JTQLQIEISA-N 0 0 237.368 3.639 20 0 BHADRN CC(C)[C@@H](C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000171915801 167351989 /nfs/dbraw/zinc/35/19/89/167351989.db2.gz MZOCSYDRDCTMNU-DOMZBBRYSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@H](C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000171915803 187992768 /nfs/dbraw/zinc/99/27/68/187992768.db2.gz MZOCSYDRDCTMNU-WFASDCNBSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@@H](C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000171915805 167352706 /nfs/dbraw/zinc/35/27/06/167352706.db2.gz MZOCSYDRDCTMNU-IUODEOHRSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@H](C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000171915808 385532570 /nfs/dbraw/zinc/53/25/70/385532570.db2.gz MZOCSYDRDCTMNU-SWLSCSKDSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000171916336 365254143 /nfs/dbraw/zinc/25/41/43/365254143.db2.gz CGOZREMGACGQRW-CQSZACIVSA-N 0 0 247.382 3.716 20 0 BHADRN CC(C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000171916337 365254089 /nfs/dbraw/zinc/25/40/89/365254089.db2.gz CGOZREMGACGQRW-AWEZNQCLSA-N 0 0 247.382 3.716 20 0 BHADRN CC(C)[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C ZINC000171917234 365255377 /nfs/dbraw/zinc/25/53/77/365255377.db2.gz UMLIHNCTFUANLS-LLVKDONJSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)[C@H](C)C(=O)NC(C)(C)CC(C)(C)C ZINC000171917236 365255331 /nfs/dbraw/zinc/25/53/31/365255331.db2.gz UMLIHNCTFUANLS-NSHDSACASA-N 0 0 227.392 3.610 20 0 BHADRN CCN(C(=O)[C@@H](C)C(C)C)c1ccccc1C ZINC000171917853 365255528 /nfs/dbraw/zinc/25/55/28/365255528.db2.gz LCPBIDGBGYXNPN-ZDUSSCGKSA-N 0 0 233.355 3.640 20 0 BHADRN CCN(C(=O)[C@H](C)C(C)C)c1ccccc1C ZINC000171917854 365255588 /nfs/dbraw/zinc/25/55/88/365255588.db2.gz LCPBIDGBGYXNPN-CYBMUJFWSA-N 0 0 233.355 3.640 20 0 BHADRN Cc1ccc([C@@H](C)N(C)C(=O)[C@@H](C)C(C)C)cc1 ZINC000171919128 365255479 /nfs/dbraw/zinc/25/54/79/365255479.db2.gz COUMYCQHJZSBBZ-UONOGXRCSA-N 0 0 247.382 3.807 20 0 BHADRN Cc1ccc([C@H](C)N(C)C(=O)[C@@H](C)C(C)C)cc1 ZINC000171919130 365255539 /nfs/dbraw/zinc/25/55/39/365255539.db2.gz COUMYCQHJZSBBZ-KBPBESRZSA-N 0 0 247.382 3.807 20 0 BHADRN Cc1ccc([C@@H](C)N(C)C(=O)[C@H](C)C(C)C)cc1 ZINC000171919131 365255445 /nfs/dbraw/zinc/25/54/45/365255445.db2.gz COUMYCQHJZSBBZ-ZIAGYGMSSA-N 0 0 247.382 3.807 20 0 BHADRN Cc1ccc([C@H](C)N(C)C(=O)[C@H](C)C(C)C)cc1 ZINC000171919134 365255435 /nfs/dbraw/zinc/25/54/35/365255435.db2.gz COUMYCQHJZSBBZ-KGLIPLIRSA-N 0 0 247.382 3.807 20 0 BHADRN CCN(Cc1ccccc1C)C(=O)[C@@H](C)C(C)C ZINC000171919257 365255203 /nfs/dbraw/zinc/25/52/03/365255203.db2.gz HCOSBAJBZRUZJI-AWEZNQCLSA-N 0 0 247.382 3.636 20 0 BHADRN CCN(Cc1ccccc1C)C(=O)[C@H](C)C(C)C ZINC000171919260 365255776 /nfs/dbraw/zinc/25/57/76/365255776.db2.gz HCOSBAJBZRUZJI-CQSZACIVSA-N 0 0 247.382 3.636 20 0 BHADRN CCN(C(=O)[C@@H](C)C(C)C)c1ccc(C)cc1C ZINC000171919343 641023681 /nfs/dbraw/zinc/02/36/81/641023681.db2.gz GZAMKHRYOURTNQ-AWEZNQCLSA-N 0 0 247.382 3.948 20 0 BHADRN CCN(C(=O)[C@H](C)C(C)C)c1ccc(C)cc1C ZINC000171919345 641024440 /nfs/dbraw/zinc/02/44/40/641024440.db2.gz GZAMKHRYOURTNQ-CQSZACIVSA-N 0 0 247.382 3.948 20 0 BHADRN CCN(C(=O)[C@@H](C)C(C)C)c1cc(C)ccc1C ZINC000171919392 365255497 /nfs/dbraw/zinc/25/54/97/365255497.db2.gz FVEJDRCPXFWYJG-AWEZNQCLSA-N 0 0 247.382 3.948 20 0 BHADRN CCN(C(=O)[C@H](C)C(C)C)c1cc(C)ccc1C ZINC000171919394 365253249 /nfs/dbraw/zinc/25/32/49/365253249.db2.gz FVEJDRCPXFWYJG-CQSZACIVSA-N 0 0 247.382 3.948 20 0 BHADRN CCCCCN(C(=O)[C@@H](C)C(C)C)C(C)C ZINC000171920312 365255661 /nfs/dbraw/zinc/25/56/61/365255661.db2.gz XROGOAIXWQGQQO-ZDUSSCGKSA-N 0 0 227.392 3.706 20 0 BHADRN CCCCCN(C(=O)[C@H](C)C(C)C)C(C)C ZINC000171920317 365255411 /nfs/dbraw/zinc/25/54/11/365255411.db2.gz XROGOAIXWQGQQO-CYBMUJFWSA-N 0 0 227.392 3.706 20 0 BHADRN COc1c(C)ccc(NC(=O)[C@@H](C)C(C)C)c1C ZINC000171920661 365255424 /nfs/dbraw/zinc/25/54/24/365255424.db2.gz MSTROWCBKNJNAQ-NSHDSACASA-N 0 0 249.354 3.543 20 0 BHADRN COc1c(C)ccc(NC(=O)[C@H](C)C(C)C)c1C ZINC000171920664 365255266 /nfs/dbraw/zinc/25/52/66/365255266.db2.gz MSTROWCBKNJNAQ-LLVKDONJSA-N 0 0 249.354 3.543 20 0 BHADRN CCCc1ccccc1NC(=O)[C@@H](C)C(C)C ZINC000171921134 365256774 /nfs/dbraw/zinc/25/67/74/365256774.db2.gz OYWODGZAJRIYNR-LBPRGKRZSA-N 0 0 233.355 3.870 20 0 BHADRN CCCc1ccccc1NC(=O)[C@H](C)C(C)C ZINC000171921138 365256592 /nfs/dbraw/zinc/25/65/92/365256592.db2.gz OYWODGZAJRIYNR-GFCCVEGCSA-N 0 0 233.355 3.870 20 0 BHADRN CC(C)Oc1ccccc1NC(=O)[C@H](C)C(C)C ZINC000171922747 187304742 /nfs/dbraw/zinc/30/47/42/187304742.db2.gz KDRKRENOERVGDZ-GFCCVEGCSA-N 0 0 249.354 3.704 20 0 BHADRN CC(C)Oc1ccccc1NC(=O)[C@@H](C)C(C)C ZINC000171922749 188162407 /nfs/dbraw/zinc/16/24/07/188162407.db2.gz KDRKRENOERVGDZ-LBPRGKRZSA-N 0 0 249.354 3.704 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1ccc2ncsc2c1 ZINC000171922991 365256494 /nfs/dbraw/zinc/25/64/94/365256494.db2.gz RPMKLLTWXXOTQY-SECBINFHSA-N 0 0 248.351 3.527 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1ccc2ncsc2c1 ZINC000171922995 365257221 /nfs/dbraw/zinc/25/72/21/365257221.db2.gz RPMKLLTWXXOTQY-VIFPVBQESA-N 0 0 248.351 3.527 20 0 BHADRN CC(C)Oc1ccc(NC(=O)[C@H](C)C(C)C)cc1 ZINC000171924459 365256379 /nfs/dbraw/zinc/25/63/79/365256379.db2.gz UIYYSOPMJFDJGL-GFCCVEGCSA-N 0 0 249.354 3.704 20 0 BHADRN CC(C)Oc1ccc(NC(=O)[C@@H](C)C(C)C)cc1 ZINC000171924462 365257297 /nfs/dbraw/zinc/25/72/97/365257297.db2.gz UIYYSOPMJFDJGL-LBPRGKRZSA-N 0 0 249.354 3.704 20 0 BHADRN Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)s1 ZINC000171924791 385533936 /nfs/dbraw/zinc/53/39/36/385533936.db2.gz TZDYJRCMIYOXIB-LBPRGKRZSA-N 0 0 246.379 3.645 20 0 BHADRN Cc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)s1 ZINC000171924796 385533681 /nfs/dbraw/zinc/53/36/81/385533681.db2.gz TZDYJRCMIYOXIB-GFCCVEGCSA-N 0 0 246.379 3.645 20 0 BHADRN CCOc1cc(C)ccc1NC(=O)[C@@H](C)C(C)C ZINC000171926599 365256813 /nfs/dbraw/zinc/25/68/13/365256813.db2.gz HBSYCHLHLCEHJC-LBPRGKRZSA-N 0 0 249.354 3.624 20 0 BHADRN CCOc1cc(C)ccc1NC(=O)[C@H](C)C(C)C ZINC000171926603 365257282 /nfs/dbraw/zinc/25/72/82/365257282.db2.gz HBSYCHLHLCEHJC-GFCCVEGCSA-N 0 0 249.354 3.624 20 0 BHADRN CC(C)[C@@H](C)C(=O)N(c1ccccc1)C(C)C ZINC000171926885 365256406 /nfs/dbraw/zinc/25/64/06/365256406.db2.gz DJBRCOAMLUHQFQ-CYBMUJFWSA-N 0 0 233.355 3.720 20 0 BHADRN CC(C)[C@H](C)C(=O)N(c1ccccc1)C(C)C ZINC000171926889 365256636 /nfs/dbraw/zinc/25/66/36/365256636.db2.gz DJBRCOAMLUHQFQ-ZDUSSCGKSA-N 0 0 233.355 3.720 20 0 BHADRN CCOc1ccc(NC(=O)[C@@H](C)C(C)C)c(C)c1 ZINC000171927341 385534232 /nfs/dbraw/zinc/53/42/32/385534232.db2.gz FFIYAWDUDKFATI-LBPRGKRZSA-N 0 0 249.354 3.624 20 0 BHADRN CCOc1ccc(NC(=O)[C@H](C)C(C)C)c(C)c1 ZINC000171927345 385534076 /nfs/dbraw/zinc/53/40/76/385534076.db2.gz FFIYAWDUDKFATI-GFCCVEGCSA-N 0 0 249.354 3.624 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)C(C)C)c(C)c1 ZINC000171927553 385533971 /nfs/dbraw/zinc/53/39/71/385533971.db2.gz PJXCQMQHATXSKJ-ZDUSSCGKSA-N 0 0 233.355 3.558 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)C(C)C)c(C)c1 ZINC000171927556 385534475 /nfs/dbraw/zinc/53/44/75/385534475.db2.gz PJXCQMQHATXSKJ-CYBMUJFWSA-N 0 0 233.355 3.558 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@@H](C)C(C)C)c1 ZINC000171927629 178479177 /nfs/dbraw/zinc/47/91/77/178479177.db2.gz UTZYEHIJPNFEAN-ZDUSSCGKSA-N 0 0 233.355 3.558 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@H](C)C(C)C)c1 ZINC000171927632 178478677 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365260105 /nfs/dbraw/zinc/26/01/05/365260105.db2.gz VBROJVQVNMKCSI-AVGNSLFASA-N 0 0 239.403 3.704 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1C ZINC000171941688 169349597 /nfs/dbraw/zinc/34/95/97/169349597.db2.gz NGIMRGQJZWHYKN-OLZOCXBDSA-N 0 0 245.366 3.569 20 0 BHADRN CCC[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1C ZINC000171941691 385535744 /nfs/dbraw/zinc/53/57/44/385535744.db2.gz NGIMRGQJZWHYKN-STQMWFEESA-N 0 0 245.366 3.569 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCc2ccccc2[C@H]1C ZINC000171941693 169349066 /nfs/dbraw/zinc/34/90/66/169349066.db2.gz NGIMRGQJZWHYKN-CHWSQXEVSA-N 0 0 245.366 3.569 20 0 BHADRN CCC[C@H](C)C(=O)N1CCc2ccccc2[C@H]1C ZINC000171941697 169470934 /nfs/dbraw/zinc/47/09/34/169470934.db2.gz NGIMRGQJZWHYKN-QWHCGFSZSA-N 0 0 245.366 3.569 20 0 BHADRN CCCCC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000171947613 365259561 /nfs/dbraw/zinc/25/95/61/365259561.db2.gz OSQBWKOBHSZJPT-UHFFFAOYSA-N 0 0 247.338 3.604 20 0 BHADRN CC(C)[C@@H](C)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000171959938 167348668 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RAYVETDJUDUISO-UHFFFAOYSA-N 0 0 247.319 3.562 20 0 BHADRN COc1cccc(CSc2ccc(F)cc2)n1 ZINC000171989506 134264004 /nfs/dbraw/zinc/26/40/04/134264004.db2.gz DOKHBDINWFWZIX-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN COc1cccc(CSc2ccccc2F)n1 ZINC000171989544 134263948 /nfs/dbraw/zinc/26/39/48/134263948.db2.gz MSZJHKUETVKQTQ-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN COc1cccc(CSCc2ccccc2)n1 ZINC000171989702 365265770 /nfs/dbraw/zinc/26/57/70/365265770.db2.gz XSTWNXXGZBDNOP-UHFFFAOYSA-N 0 0 245.347 3.524 20 0 BHADRN CC[C@@H](C)N(Cc1ccccc1)CC(F)F ZINC000171990079 365265845 /nfs/dbraw/zinc/26/58/45/365265845.db2.gz KROCXHHJOBZHOB-LLVKDONJSA-N 0 0 227.298 3.552 20 0 BHADRN CC[C@H](C)N(Cc1ccccc1)CC(F)F ZINC000171990081 365266635 /nfs/dbraw/zinc/26/66/35/365266635.db2.gz KROCXHHJOBZHOB-NSHDSACASA-N 0 0 227.298 3.552 20 0 BHADRN C[C@@H](c1cc2ccccc2o1)N(C)CC(F)F ZINC000171990412 372846887 /nfs/dbraw/zinc/84/68/87/372846887.db2.gz UEJZQWDEZZYDAC-VIFPVBQESA-N 0 0 239.265 3.691 20 0 BHADRN C[C@H](c1cc2ccccc2o1)N(C)CC(F)F ZINC000171990414 372847529 /nfs/dbraw/zinc/84/75/29/372847529.db2.gz UEJZQWDEZZYDAC-SECBINFHSA-N 0 0 239.265 3.691 20 0 BHADRN FC(F)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000171990464 372847352 /nfs/dbraw/zinc/84/73/52/372847352.db2.gz JBRVZUGJXWAKOT-NSHDSACASA-N 0 0 245.700 3.742 20 0 BHADRN FC(F)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000171990466 344270944 /nfs/dbraw/zinc/27/09/44/344270944.db2.gz JBRVZUGJXWAKOT-LLVKDONJSA-N 0 0 245.700 3.742 20 0 BHADRN C[C@@H](C1CC1)N(Cc1ccccc1)CC(F)F ZINC000171990559 372847301 /nfs/dbraw/zinc/84/73/01/372847301.db2.gz RTPCCFJZZFBAOQ-NSHDSACASA-N 0 0 239.309 3.552 20 0 BHADRN C[C@H](C1CC1)N(Cc1ccccc1)CC(F)F ZINC000171990561 372847059 /nfs/dbraw/zinc/84/70/59/372847059.db2.gz RTPCCFJZZFBAOQ-LLVKDONJSA-N 0 0 239.309 3.552 20 0 BHADRN CC(C)(C)[C@H](NCC(F)F)c1ccc(F)cc1 ZINC000171990969 372847649 /nfs/dbraw/zinc/84/76/49/372847649.db2.gz BEWCAECZUCFPJV-GFCCVEGCSA-N 0 0 245.288 3.768 20 0 BHADRN CC(C)(C)[C@@H](NCC(F)F)c1ccc(F)cc1 ZINC000171990972 372846907 /nfs/dbraw/zinc/84/69/07/372846907.db2.gz BEWCAECZUCFPJV-LBPRGKRZSA-N 0 0 245.288 3.768 20 0 BHADRN CN(CCc1cccc2ccccc21)CC(F)F ZINC000171991784 344275169 /nfs/dbraw/zinc/27/51/69/344275169.db2.gz ZOQUEYMLXZHSOT-UHFFFAOYSA-N 0 0 249.304 3.579 20 0 BHADRN Fc1ccc([C@H](NCC(F)F)C2CCC2)cc1 ZINC000171992168 344275690 /nfs/dbraw/zinc/27/56/90/344275690.db2.gz YFKYSRXRDNMZPK-CYBMUJFWSA-N 0 0 243.272 3.522 20 0 BHADRN Fc1ccc([C@@H](NCC(F)F)C2CCC2)cc1 ZINC000171992171 372849007 /nfs/dbraw/zinc/84/90/07/372849007.db2.gz YFKYSRXRDNMZPK-ZDUSSCGKSA-N 0 0 243.272 3.522 20 0 BHADRN FC(F)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000171992208 346087783 /nfs/dbraw/zinc/08/77/83/346087783.db2.gz URUAGDOJXNIIOC-UHFFFAOYSA-N 0 0 245.700 3.574 20 0 BHADRN Cc1ncn(Cc2ccc3ccccc3c2)c1C ZINC000171993487 365265731 /nfs/dbraw/zinc/26/57/31/365265731.db2.gz LMHDYJHQKGOMTC-UHFFFAOYSA-N 0 0 236.318 3.701 20 0 BHADRN CCC[C@@H](C)CC(=O)NC/C=C/c1ccccc1 ZINC000171993948 365267746 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3.652 20 0 BHADRN C[C@H](NC(=O)CC1CCCCC1)C1CCCC1 ZINC000172105353 385334894 /nfs/dbraw/zinc/33/48/94/385334894.db2.gz AWHNQGRMULNGCL-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H](NC(=O)CC1CCCCC1)C1CCCC1 ZINC000172105361 385335341 /nfs/dbraw/zinc/33/53/41/385335341.db2.gz AWHNQGRMULNGCL-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1ccc(C(=O)N[C@@H](C)C2CCCC2)c(C)c1 ZINC000172105609 385335365 /nfs/dbraw/zinc/33/53/65/385335365.db2.gz QTTXTGNLYAULPK-ZDUSSCGKSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(C(=O)N[C@H](C)C2CCCC2)c(C)c1 ZINC000172105616 385378499 /nfs/dbraw/zinc/37/84/99/385378499.db2.gz QTTXTGNLYAULPK-CYBMUJFWSA-N 0 0 245.366 3.612 20 0 BHADRN COc1cc(C)ccc1NC(=O)/C=C\C(C)(C)C ZINC000172111326 641039022 /nfs/dbraw/zinc/03/90/22/641039022.db2.gz VYVGSUYNGPFKPW-HJWRWDBZSA-N 0 0 247.338 3.544 20 0 BHADRN CC(C)[C@H](C)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000172120818 365295653 /nfs/dbraw/zinc/29/56/53/365295653.db2.gz DRPQPYPRBHBASD-UONOGXRCSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)[C@H](C)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000172120823 365295585 /nfs/dbraw/zinc/29/55/85/365295585.db2.gz DRPQPYPRBHBASD-KBPBESRZSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)[C@@H](C)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000172120830 365294913 /nfs/dbraw/zinc/29/49/13/365294913.db2.gz DRPQPYPRBHBASD-ZIAGYGMSSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)[C@@H](C)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000172120833 365295620 /nfs/dbraw/zinc/29/56/20/365295620.db2.gz DRPQPYPRBHBASD-KGLIPLIRSA-N 0 0 239.403 3.563 20 0 BHADRN c1coc(CNc2ccc(OCC3CC3)cc2)c1 ZINC000172121192 385550131 /nfs/dbraw/zinc/55/01/31/385550131.db2.gz KEPUIZZKOHKLJI-UHFFFAOYSA-N 0 0 243.306 3.681 20 0 BHADRN CCCN(C(=O)[C@@H](C)CC1CCCC1)C1CC1 ZINC000172128049 365294687 /nfs/dbraw/zinc/29/46/87/365294687.db2.gz XZNAJOQGEFQVPK-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCN(C(=O)[C@H](C)CC1CCCC1)C1CC1 ZINC000172128055 365295507 /nfs/dbraw/zinc/29/55/07/365295507.db2.gz XZNAJOQGEFQVPK-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN c1cc(CSC2=NCCS2)cc2c1CCC2 ZINC000172128113 641038726 /nfs/dbraw/zinc/03/87/26/641038726.db2.gz IUSPBUXGIVMIQI-UHFFFAOYSA-N 0 0 249.404 3.511 20 0 BHADRN C[C@@H](CC1CCCCC1)C(=O)NCc1ccoc1 ZINC000172134349 365294697 /nfs/dbraw/zinc/29/46/97/365294697.db2.gz LTMRBBSZGWJPOP-LBPRGKRZSA-N 0 0 249.354 3.502 20 0 BHADRN C[C@H](CC1CCCCC1)C(=O)NCc1ccoc1 ZINC000172134355 365295737 /nfs/dbraw/zinc/29/57/37/365295737.db2.gz LTMRBBSZGWJPOP-GFCCVEGCSA-N 0 0 249.354 3.502 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)NCc1ccoc1 ZINC000172134360 365294705 /nfs/dbraw/zinc/29/47/05/365294705.db2.gz JLTCUHXELQBRCR-AWEZNQCLSA-N 0 0 249.354 3.502 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)NCc1ccoc1 ZINC000172134365 365295450 /nfs/dbraw/zinc/29/54/50/365295450.db2.gz JLTCUHXELQBRCR-CQSZACIVSA-N 0 0 249.354 3.502 20 0 BHADRN CCc1ccc(CSC2=NCCS2)cc1 ZINC000172157280 171814385 /nfs/dbraw/zinc/81/43/85/171814385.db2.gz GYPNTGQLBPHLET-UHFFFAOYSA-N 0 0 237.393 3.585 20 0 BHADRN CC(C)n1ccc(CSc2cccs2)n1 ZINC000172159786 167764896 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BHADRN C[C@H](SCc1ccon1)c1ccc(F)cc1 ZINC000172214990 365301594 /nfs/dbraw/zinc/30/15/94/365301594.db2.gz ZDGSBLAPFXBFTQ-VIFPVBQESA-N 0 0 237.299 3.808 20 0 BHADRN C[C@@H](SCc1ccon1)c1ccc(F)cc1 ZINC000172214995 365301497 /nfs/dbraw/zinc/30/14/97/365301497.db2.gz ZDGSBLAPFXBFTQ-SECBINFHSA-N 0 0 237.299 3.808 20 0 BHADRN CCCCCSCc1ccn(C(C)C)n1 ZINC000172214996 372910532 /nfs/dbraw/zinc/91/05/32/372910532.db2.gz YIBRAUNJMKLNOU-UHFFFAOYSA-N 0 0 226.389 3.887 20 0 BHADRN CC(C)n1ccc(CSc2ccccc2)n1 ZINC000172216691 384546583 /nfs/dbraw/zinc/54/65/83/384546583.db2.gz VXABFCZNQJBMMN-UHFFFAOYSA-N 0 0 232.352 3.756 20 0 BHADRN CC(C)n1ccc(CSCc2ccccc2)n1 ZINC000172216858 365301671 /nfs/dbraw/zinc/30/16/71/365301671.db2.gz GHRDTQPXRGYMFG-UHFFFAOYSA-N 0 0 246.379 3.897 20 0 BHADRN CC(C)n1ccc(CSC2CCCC2)n1 ZINC000172216896 384548537 /nfs/dbraw/zinc/54/85/37/384548537.db2.gz XTFIHMSMKPAMSC-UHFFFAOYSA-N 0 0 224.373 3.640 20 0 BHADRN CCC(CC)NC(=O)C[C@@H](C)c1ccccc1C ZINC000172216929 372910230 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/nfs/dbraw/zinc/03/10/75/373031075.db2.gz KRAZSDJJTDDDDB-STQMWFEESA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CCCN(C(=O)C2CCCCCC2)[C@@H]1C ZINC000172646696 398240431 /nfs/dbraw/zinc/24/04/31/398240431.db2.gz CCTQHVOMMUGJBP-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1[C@@H](C)CCCN1C(=O)C1CCCCCC1 ZINC000172646699 398240560 /nfs/dbraw/zinc/24/05/60/398240560.db2.gz CCTQHVOMMUGJBP-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCN(C(=O)C2CCCCCC2)[C@H]1C ZINC000172646703 398240626 /nfs/dbraw/zinc/24/06/26/398240626.db2.gz CCTQHVOMMUGJBP-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCN(C(=O)C2CCCCCC2)[C@H]1C ZINC000172646705 398240382 /nfs/dbraw/zinc/24/03/82/398240382.db2.gz CCTQHVOMMUGJBP-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCN(C(=O)CC2CCCCC2)[C@@H]1C ZINC000172649031 398240915 /nfs/dbraw/zinc/24/09/15/398240915.db2.gz GIVWBGSYZOZFLZ-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1[C@@H](C)CCCN1C(=O)CC1CCCCC1 ZINC000172649086 398240875 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ZINC000172966973 528973528 /nfs/dbraw/zinc/97/35/28/528973528.db2.gz HKILHTQMUINQKI-VIFPVBQESA-N 0 0 242.388 3.645 20 0 BHADRN Cc1noc(C)c1CS[C@@H](C)C(C)C ZINC000172967833 384642074 /nfs/dbraw/zinc/64/20/74/384642074.db2.gz AFDMKWINLPKYSN-JTQLQIEISA-N 0 0 213.346 3.569 20 0 BHADRN Cc1noc(C)c1CS[C@H](C)C(C)C ZINC000172967837 384641795 /nfs/dbraw/zinc/64/17/95/384641795.db2.gz AFDMKWINLPKYSN-SNVBAGLBSA-N 0 0 213.346 3.569 20 0 BHADRN Cc1ncc(CS[C@@H](C)C(C)C)s1 ZINC000172968198 180163072 /nfs/dbraw/zinc/16/30/72/180163072.db2.gz OKFXQWPPQZBFRT-QMMMGPOBSA-N 0 0 215.387 3.729 20 0 BHADRN Cc1ncc(CS[C@H](C)C(C)C)s1 ZINC000172968205 180162608 /nfs/dbraw/zinc/16/26/08/180162608.db2.gz OKFXQWPPQZBFRT-MRVPVSSYSA-N 0 0 215.387 3.729 20 0 BHADRN CC(C)[C@@H](C)SCc1nccn1C(F)F ZINC000172968759 167386704 /nfs/dbraw/zinc/38/67/04/167386704.db2.gz XCEHEXFGJBADNJ-MRVPVSSYSA-N 0 0 234.315 3.556 20 0 BHADRN CC(C)[C@H](C)SCc1nccn1C(F)F ZINC000172968765 187305041 /nfs/dbraw/zinc/30/50/41/187305041.db2.gz XCEHEXFGJBADNJ-QMMMGPOBSA-N 0 0 234.315 3.556 20 0 BHADRN CC(C)Cc1noc(CS[C@@H](C)C(C)C)n1 ZINC000172969860 134271598 /nfs/dbraw/zinc/27/15/98/134271598.db2.gz WNXAOUWKXUYVAU-JTQLQIEISA-N 0 0 242.388 3.546 20 0 BHADRN CC(C)Cc1noc(CS[C@H](C)C(C)C)n1 ZINC000172969866 134271472 /nfs/dbraw/zinc/27/14/72/134271472.db2.gz WNXAOUWKXUYVAU-SNVBAGLBSA-N 0 0 242.388 3.546 20 0 BHADRN Cc1nc(CS[C@@H](C)C(C)C)cs1 ZINC000172970134 385534224 /nfs/dbraw/zinc/53/42/24/385534224.db2.gz ABKWBJBPXFVCSA-QMMMGPOBSA-N 0 0 215.387 3.729 20 0 BHADRN Cc1nc(CS[C@H](C)C(C)C)cs1 ZINC000172970142 385535179 /nfs/dbraw/zinc/53/51/79/385535179.db2.gz ABKWBJBPXFVCSA-MRVPVSSYSA-N 0 0 215.387 3.729 20 0 BHADRN CC(C)[C@@H](C)SCc1ccn(C(C)C)n1 ZINC000172970486 134271509 /nfs/dbraw/zinc/27/15/09/134271509.db2.gz NUOGSXQCYDNCTB-LLVKDONJSA-N 0 0 226.389 3.742 20 0 BHADRN CC(C)[C@H](C)SCc1ccn(C(C)C)n1 ZINC000172970494 134271628 /nfs/dbraw/zinc/27/16/28/134271628.db2.gz NUOGSXQCYDNCTB-NSHDSACASA-N 0 0 226.389 3.742 20 0 BHADRN CC(C)[C@@H](C)S[C@@H](C)c1nc(C2CC2)no1 ZINC000172972086 134271568 /nfs/dbraw/zinc/27/15/68/134271568.db2.gz KEAWLXIGNMLCRA-BDAKNGLRSA-N 0 0 240.372 3.786 20 0 BHADRN CC(C)[C@H](C)S[C@@H](C)c1nc(C2CC2)no1 ZINC000172972091 134271569 /nfs/dbraw/zinc/27/15/69/134271569.db2.gz KEAWLXIGNMLCRA-IUCAKERBSA-N 0 0 240.372 3.786 20 0 BHADRN CC(C)[C@@H](C)S[C@H](C)c1nc(C2CC2)no1 ZINC000172972097 134271529 /nfs/dbraw/zinc/27/15/29/134271529.db2.gz KEAWLXIGNMLCRA-RKDXNWHRSA-N 0 0 240.372 3.786 20 0 BHADRN CC(C)[C@H](C)S[C@H](C)c1nc(C2CC2)no1 ZINC000172972102 134271587 /nfs/dbraw/zinc/27/15/87/134271587.db2.gz KEAWLXIGNMLCRA-DTWKUNHWSA-N 0 0 240.372 3.786 20 0 BHADRN CCCCc1noc(CS[C@@H](C)C(C)C)n1 ZINC000172972124 529060826 /nfs/dbraw/zinc/06/08/26/529060826.db2.gz ONOOACVYZCKXAB-JTQLQIEISA-N 0 0 242.388 3.690 20 0 BHADRN CCCCc1noc(CS[C@H](C)C(C)C)n1 ZINC000172972129 529060786 /nfs/dbraw/zinc/06/07/86/529060786.db2.gz ONOOACVYZCKXAB-SNVBAGLBSA-N 0 0 242.388 3.690 20 0 BHADRN CC(C)[C@@H](C)SCc1nc(C(C)(C)C)no1 ZINC000172972342 384641073 /nfs/dbraw/zinc/64/10/73/384641073.db2.gz WTPUKOGOFBMTIW-SECBINFHSA-N 0 0 242.388 3.645 20 0 BHADRN CC(C)[C@H](C)SCc1nc(C(C)(C)C)no1 ZINC000172972349 528973294 /nfs/dbraw/zinc/97/32/94/528973294.db2.gz WTPUKOGOFBMTIW-VIFPVBQESA-N 0 0 242.388 3.645 20 0 BHADRN C[C@@H](CO)S[C@@H](C)c1ccccc1Cl ZINC000172979313 384642489 /nfs/dbraw/zinc/64/24/89/384642489.db2.gz VYBBRYBFQBYCGC-IUCAKERBSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@H](CO)S[C@@H](C)c1ccccc1Cl ZINC000172979318 177028270 /nfs/dbraw/zinc/02/82/70/177028270.db2.gz VYBBRYBFQBYCGC-BDAKNGLRSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](S[C@@H](C)CO)c1ccccc1Cl ZINC000172979322 175759876 /nfs/dbraw/zinc/75/98/76/175759876.db2.gz VYBBRYBFQBYCGC-DTWKUNHWSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@H](CO)S[C@H](C)c1ccccc1Cl ZINC000172979327 384641412 /nfs/dbraw/zinc/64/14/12/384641412.db2.gz VYBBRYBFQBYCGC-RKDXNWHRSA-N 0 0 230.760 3.515 20 0 BHADRN CCCCCC[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000172979489 641138310 /nfs/dbraw/zinc/13/83/10/641138310.db2.gz UXLNLQLLGKDLFJ-SNVBAGLBSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCCC[C@H](C)C(=O)Nc1cc(C)on1 ZINC000172979496 641137670 /nfs/dbraw/zinc/13/76/70/641137670.db2.gz UXLNLQLLGKDLFJ-JTQLQIEISA-N 0 0 238.331 3.528 20 0 BHADRN CN(CCC1CCCCC1)C(=O)CC1CCC1 ZINC000172979750 529877151 /nfs/dbraw/zinc/87/71/51/529877151.db2.gz YXPOQQQXJCZKDW-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCC[C@@H](C)C(=O)Nc1ccncc1 ZINC000172979798 641137706 /nfs/dbraw/zinc/13/77/06/641137706.db2.gz QAAQKGAJDLFVSF-GFCCVEGCSA-N 0 0 234.343 3.627 20 0 BHADRN CCCCCC[C@H](C)C(=O)Nc1ccncc1 ZINC000172979803 641137564 /nfs/dbraw/zinc/13/75/64/641137564.db2.gz QAAQKGAJDLFVSF-LBPRGKRZSA-N 0 0 234.343 3.627 20 0 BHADRN O=C(CC1CCC1)Nc1cccc(C(F)F)c1 ZINC000172980305 397832976 /nfs/dbraw/zinc/83/29/76/397832976.db2.gz QMMYDTFOLXAONK-UHFFFAOYSA-N 0 0 239.265 3.753 20 0 BHADRN CC[C@H](S[C@@H](C)CO)c1ccc(Cl)cc1 ZINC000172984283 529176874 /nfs/dbraw/zinc/17/68/74/529176874.db2.gz NHSNJSXZALFMDJ-CABZTGNLSA-N 0 0 244.787 3.905 20 0 BHADRN CC[C@@H](S[C@@H](C)CO)c1ccc(Cl)cc1 ZINC000172984288 529253431 /nfs/dbraw/zinc/25/34/31/529253431.db2.gz NHSNJSXZALFMDJ-JOYOIKCWSA-N 0 0 244.787 3.905 20 0 BHADRN CC[C@H](S[C@H](C)CO)c1ccc(Cl)cc1 ZINC000172984291 529176411 /nfs/dbraw/zinc/17/64/11/529176411.db2.gz NHSNJSXZALFMDJ-SKDRFNHKSA-N 0 0 244.787 3.905 20 0 BHADRN CC[C@@H](S[C@H](C)CO)c1ccc(Cl)cc1 ZINC000172984296 529253168 /nfs/dbraw/zinc/25/31/68/529253168.db2.gz NHSNJSXZALFMDJ-BXKDBHETSA-N 0 0 244.787 3.905 20 0 BHADRN CSc1cccc(N(C)C(=O)CC2CCC2)c1 ZINC000172984397 134271906 /nfs/dbraw/zinc/27/19/06/134271906.db2.gz FHBBVFZCKMHAKH-UHFFFAOYSA-N 0 0 249.379 3.562 20 0 BHADRN CC[C@H](S[C@@H](C)CO)c1ccc(F)cc1F ZINC000172985777 134271980 /nfs/dbraw/zinc/27/19/80/134271980.db2.gz JDGAIHAYZLNYKF-UFBFGSQYSA-N 0 0 246.322 3.530 20 0 BHADRN CC[C@@H](S[C@@H](C)CO)c1ccc(F)cc1F ZINC000172985782 134271914 /nfs/dbraw/zinc/27/19/14/134271914.db2.gz JDGAIHAYZLNYKF-QPUJVOFHSA-N 0 0 246.322 3.530 20 0 BHADRN CC[C@H](S[C@H](C)CO)c1ccc(F)cc1F ZINC000172985786 134271660 /nfs/dbraw/zinc/27/16/60/134271660.db2.gz JDGAIHAYZLNYKF-PELKAZGASA-N 0 0 246.322 3.530 20 0 BHADRN CC[C@@H](S[C@H](C)CO)c1ccc(F)cc1F ZINC000172985790 134271932 /nfs/dbraw/zinc/27/19/32/134271932.db2.gz JDGAIHAYZLNYKF-PRHODGIISA-N 0 0 246.322 3.530 20 0 BHADRN C[C@@H](CO)S[C@@H](C)c1cccc(Cl)c1 ZINC000172986780 175759801 /nfs/dbraw/zinc/75/98/01/175759801.db2.gz NYQCJIITZMQRGG-IUCAKERBSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@H](CO)S[C@@H](C)c1cccc(Cl)c1 ZINC000172986788 177028326 /nfs/dbraw/zinc/02/83/26/177028326.db2.gz NYQCJIITZMQRGG-BDAKNGLRSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](S[C@@H](C)CO)c1cccc(Cl)c1 ZINC000172986793 384645724 /nfs/dbraw/zinc/64/57/24/384645724.db2.gz NYQCJIITZMQRGG-DTWKUNHWSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@H](CO)S[C@H](C)c1cccc(Cl)c1 ZINC000172986796 384643484 /nfs/dbraw/zinc/64/34/84/384643484.db2.gz NYQCJIITZMQRGG-RKDXNWHRSA-N 0 0 230.760 3.515 20 0 BHADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H]1C=CCC1 ZINC000172989165 527877083 /nfs/dbraw/zinc/87/70/83/527877083.db2.gz CUMALKRXEDZMCD-QLFBSQMISA-N 0 0 249.398 3.770 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)C[C@H]1C=CCC1 ZINC000172989177 527874843 /nfs/dbraw/zinc/87/48/43/527874843.db2.gz CUMALKRXEDZMCD-SOUVJXGZSA-N 0 0 249.398 3.770 20 0 BHADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)CC(C)(C)C ZINC000172989423 527876953 /nfs/dbraw/zinc/87/69/53/527876953.db2.gz HHSTZYXIRDKZLS-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H]1[C@H](C)CCCN1C(=O)CC(C)(C)C ZINC000172989429 528444777 /nfs/dbraw/zinc/44/47/77/528444777.db2.gz HHSTZYXIRDKZLS-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)CC(C)(C)C ZINC000172989434 527875248 /nfs/dbraw/zinc/87/52/48/527875248.db2.gz HHSTZYXIRDKZLS-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H]1[C@@H](C)CCCN1C(=O)CC(C)(C)C ZINC000172989443 528440761 /nfs/dbraw/zinc/44/07/61/528440761.db2.gz HHSTZYXIRDKZLS-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CCCC1 ZINC000172990475 527876874 /nfs/dbraw/zinc/87/68/74/527876874.db2.gz VBOFSEQCLUUZSW-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H]1[C@H](C)CCCN1C(=O)C1CCCC1 ZINC000172990482 528445162 /nfs/dbraw/zinc/44/51/62/528445162.db2.gz VBOFSEQCLUUZSW-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)C1CCCC1 ZINC000172990485 527875056 /nfs/dbraw/zinc/87/50/56/527875056.db2.gz VBOFSEQCLUUZSW-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H]1[C@@H](C)CCCN1C(=O)C1CCCC1 ZINC000172990491 528440735 /nfs/dbraw/zinc/44/07/35/528440735.db2.gz VBOFSEQCLUUZSW-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CCC ZINC000172992532 527994350 /nfs/dbraw/zinc/99/43/50/527994350.db2.gz QZEZRKFCXQQQHL-HZSPNIEDSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1CCC ZINC000172992536 527994288 /nfs/dbraw/zinc/99/42/88/527994288.db2.gz QZEZRKFCXQQQHL-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1CCC ZINC000172992543 527995029 /nfs/dbraw/zinc/99/50/29/527995029.db2.gz QZEZRKFCXQQQHL-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1CCC ZINC000172992548 527994036 /nfs/dbraw/zinc/99/40/36/527994036.db2.gz QZEZRKFCXQQQHL-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)CC1CCC1 ZINC000172992619 527875821 /nfs/dbraw/zinc/87/58/21/527875821.db2.gz XZZSJSJOVGDHSY-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H]1[C@H](C)CCCN1C(=O)CC1CCC1 ZINC000172992626 528444631 /nfs/dbraw/zinc/44/46/31/528444631.db2.gz XZZSJSJOVGDHSY-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)CC1CCC1 ZINC000172992633 527874076 /nfs/dbraw/zinc/87/40/76/527874076.db2.gz XZZSJSJOVGDHSY-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H]1[C@@H](C)CCCN1C(=O)CC1CCC1 ZINC000172992637 528441934 /nfs/dbraw/zinc/44/19/34/528441934.db2.gz XZZSJSJOVGDHSY-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)C(C)C ZINC000172993853 527878453 /nfs/dbraw/zinc/87/84/53/527878453.db2.gz ONGOWTMQVIVIJU-HZSPNIEDSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](C)C(C)C ZINC000172993866 527875129 /nfs/dbraw/zinc/87/51/29/527875129.db2.gz ONGOWTMQVIVIJU-MELADBBJSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCC(=O)N1CCC[C@H](C)[C@@H]1CCC ZINC000172996782 528081803 /nfs/dbraw/zinc/08/18/03/528081803.db2.gz WSHSDLSLEPCZJV-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCC ZINC000172996788 528081776 /nfs/dbraw/zinc/08/17/76/528081776.db2.gz WSHSDLSLEPCZJV-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC(=O)N1CCC[C@H](C)[C@H]1CCC ZINC000172996792 528081828 /nfs/dbraw/zinc/08/18/28/528081828.db2.gz WSHSDLSLEPCZJV-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC(=O)N1CCC[C@@H](C)[C@H]1CCC ZINC000172996796 528080732 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/nfs/dbraw/zinc/14/14/91/641141491.db2.gz IREUFWWNWWAMPP-CYBMUJFWSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCCCC1 ZINC000173003162 641140072 /nfs/dbraw/zinc/14/00/72/641140072.db2.gz IREUFWWNWWAMPP-ZDUSSCGKSA-N 0 0 225.376 3.605 20 0 BHADRN O=C(CCCC1CCCC1)N1CCCCCC1 ZINC000173004469 229336662 /nfs/dbraw/zinc/33/66/62/229336662.db2.gz IXHYMPNLILNESA-UHFFFAOYSA-N 0 0 237.387 3.750 20 0 BHADRN CC[C@@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000173005984 529372096 /nfs/dbraw/zinc/37/20/96/529372096.db2.gz FZNBHNHHYWRQSS-LLVKDONJSA-N 0 0 245.322 3.578 20 0 BHADRN CC[C@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000173005992 529177327 /nfs/dbraw/zinc/17/73/27/529177327.db2.gz FZNBHNHHYWRQSS-NSHDSACASA-N 0 0 245.322 3.578 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@@H](C)CC ZINC000173006068 641140303 /nfs/dbraw/zinc/14/03/03/641140303.db2.gz OHZMBCPFURJCLH-NEPJUHHUSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H](C)CC ZINC000173006072 641140077 /nfs/dbraw/zinc/14/00/77/641140077.db2.gz 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535473301 /nfs/dbraw/zinc/47/33/01/535473301.db2.gz OOXNBIZZMUNRLS-UHFFFAOYSA-N 0 0 245.322 3.532 20 0 BHADRN Cc1cc(F)cc(C(=O)Nc2ccccc2F)c1 ZINC000173024670 134272249 /nfs/dbraw/zinc/27/22/49/134272249.db2.gz SLXKHBJYPGMSEH-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)CC1CCC1 ZINC000173025085 134272277 /nfs/dbraw/zinc/27/22/77/134272277.db2.gz TUUVBUBKOFIIDU-UHFFFAOYSA-N 0 0 237.730 3.777 20 0 BHADRN CSCc1ccc(NC(=O)CC2CCC2)cc1 ZINC000173025508 384647865 /nfs/dbraw/zinc/64/78/65/384647865.db2.gz LOSWWIBWXDOLPA-UHFFFAOYSA-N 0 0 249.379 3.678 20 0 BHADRN CCCCNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000173025653 528547990 /nfs/dbraw/zinc/54/79/90/528547990.db2.gz GDHRESLNQLTYQR-UHFFFAOYSA-N 0 0 245.322 3.580 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N(C)c1cccnc1 ZINC000173026495 384648922 /nfs/dbraw/zinc/64/89/22/384648922.db2.gz GUEPSXCYTDBFBH-CYBMUJFWSA-N 0 0 248.370 3.651 20 0 BHADRN CCCCCC[C@H](C)C(=O)N(C)c1cccnc1 ZINC000173026502 384648936 /nfs/dbraw/zinc/64/89/36/384648936.db2.gz 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ZINC000173086922 172887761 /nfs/dbraw/zinc/88/77/61/172887761.db2.gz SIUPQPGJUAYPHE-UHFFFAOYSA-N 0 0 249.354 3.599 20 0 BHADRN O=C(CC1CCC1)N1CCC[C@H]1c1cccs1 ZINC000173097329 181893355 /nfs/dbraw/zinc/89/33/55/181893355.db2.gz IZAMGNHAGAOYOE-LBPRGKRZSA-N 0 0 249.379 3.602 20 0 BHADRN O=C(CC1CCC1)N1CCC[C@@H]1c1cccs1 ZINC000173097333 384652822 /nfs/dbraw/zinc/65/28/22/384652822.db2.gz IZAMGNHAGAOYOE-GFCCVEGCSA-N 0 0 249.379 3.602 20 0 BHADRN CCCC(=O)Nc1cc(C)c(C)c2ncccc12 ZINC000173117910 527956105 /nfs/dbraw/zinc/95/61/05/527956105.db2.gz OXKNIHQGHCPCFZ-UHFFFAOYSA-N 0 0 242.322 3.590 20 0 BHADRN C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C ZINC000173121118 533508408 /nfs/dbraw/zinc/50/84/08/533508408.db2.gz MRQGOKGCPIISPU-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H]1C ZINC000173121126 533508492 /nfs/dbraw/zinc/50/84/92/533508492.db2.gz MRQGOKGCPIISPU-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C ZINC000173121132 533774840 /nfs/dbraw/zinc/77/48/40/533774840.db2.gz MRQGOKGCPIISPU-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]1C ZINC000173121137 533774962 /nfs/dbraw/zinc/77/49/62/533774962.db2.gz MRQGOKGCPIISPU-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN O=C(CC1CCC1)Nc1cccc(Cl)c1F ZINC000173121648 187992676 /nfs/dbraw/zinc/99/26/76/187992676.db2.gz RLICIFFAOJMMNL-UHFFFAOYSA-N 0 0 241.693 3.608 20 0 BHADRN CCCCCC[C@@](C)(CCC)C(=O)N1CCC1 ZINC000173128045 641149229 /nfs/dbraw/zinc/14/92/29/641149229.db2.gz VROLRKQCDZPJAO-OAHLLOKOSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCCC[C@](C)(CCC)C(=O)N1CCC1 ZINC000173128052 641148502 /nfs/dbraw/zinc/14/85/02/641148502.db2.gz VROLRKQCDZPJAO-HNNXBMFYSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1C ZINC000173128348 641148458 /nfs/dbraw/zinc/14/84/58/641148458.db2.gz PXEODPIDWADJPN-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1C ZINC000173128354 641147909 /nfs/dbraw/zinc/14/79/09/641147909.db2.gz PXEODPIDWADJPN-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC[C@H]1C ZINC000173128360 641148960 /nfs/dbraw/zinc/14/89/60/641148960.db2.gz PXEODPIDWADJPN-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC[C@H]1C ZINC000173128365 641147340 /nfs/dbraw/zinc/14/73/40/641147340.db2.gz PXEODPIDWADJPN-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN C[C@@H]1CCCN1C(=O)CCCC1CCCCC1 ZINC000173129185 533708649 /nfs/dbraw/zinc/70/86/49/533708649.db2.gz URQUSWOAFORGQW-CYBMUJFWSA-N 0 0 237.387 3.748 20 0 BHADRN C[C@H]1CCCN1C(=O)CCCC1CCCCC1 ZINC000173129192 229339902 /nfs/dbraw/zinc/33/99/02/229339902.db2.gz URQUSWOAFORGQW-ZDUSSCGKSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1cc(C)on1 ZINC000173129760 641147614 /nfs/dbraw/zinc/14/76/14/641147614.db2.gz OIVNEBMPLDYROT-SNVBAGLBSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1cc(C)on1 ZINC000173129769 641148218 /nfs/dbraw/zinc/14/82/18/641148218.db2.gz OIVNEBMPLDYROT-JTQLQIEISA-N 0 0 238.331 3.528 20 0 BHADRN Cc1ccc(OC(=O)CCC(F)(F)F)c(C)c1 ZINC000173139608 384657181 /nfs/dbraw/zinc/65/71/81/384657181.db2.gz IRXMUQGIPCPVQS-UHFFFAOYSA-N 0 0 246.228 3.551 20 0 BHADRN CC[C@@H](c1ccccc1)[S@@](=O)c1ccccc1 ZINC000173140358 134273782 /nfs/dbraw/zinc/27/37/82/134273782.db2.gz STLDRWRAQWGFKQ-RDJZCZTQSA-N 0 0 244.359 3.946 20 0 BHADRN CC[C@H](c1ccccc1)[S@@](=O)c1ccccc1 ZINC000173140368 134274013 /nfs/dbraw/zinc/27/40/13/134274013.db2.gz STLDRWRAQWGFKQ-WBVHZDCISA-N 0 0 244.359 3.946 20 0 BHADRN CC[C@@H](c1ccccc1)[S@](=O)c1ccccc1 ZINC000173140373 134273794 /nfs/dbraw/zinc/27/37/94/134273794.db2.gz STLDRWRAQWGFKQ-DOTOQJQBSA-N 0 0 244.359 3.946 20 0 BHADRN CC[C@H](c1ccccc1)[S@](=O)c1ccccc1 ZINC000173140384 134274095 /nfs/dbraw/zinc/27/40/95/134274095.db2.gz STLDRWRAQWGFKQ-NVXWUHKLSA-N 0 0 244.359 3.946 20 0 BHADRN Cc1cccc([C@@H](C)[S@@](=O)c2ccccc2)c1 ZINC000173140565 134273910 /nfs/dbraw/zinc/27/39/10/134273910.db2.gz JBVLQUVOQINVQR-CXAGYDPISA-N 0 0 244.359 3.864 20 0 BHADRN Cc1cccc([C@H](C)[S@@](=O)c2ccccc2)c1 ZINC000173140574 134274043 /nfs/dbraw/zinc/27/40/43/134274043.db2.gz JBVLQUVOQINVQR-SUMWQHHRSA-N 0 0 244.359 3.864 20 0 BHADRN Cc1cccc([C@@H](C)[S@](=O)c2ccccc2)c1 ZINC000173140585 134273921 /nfs/dbraw/zinc/27/39/21/134273921.db2.gz JBVLQUVOQINVQR-DYVFJYSZSA-N 0 0 244.359 3.864 20 0 BHADRN Cc1cccc([C@H](C)[S@](=O)c2ccccc2)c1 ZINC000173140594 134274028 /nfs/dbraw/zinc/27/40/28/134274028.db2.gz JBVLQUVOQINVQR-GUYCJALGSA-N 0 0 244.359 3.864 20 0 BHADRN C[C@H](CC(=O)N1CCC[C@H]1C)C1CCCCC1 ZINC000173142426 229340113 /nfs/dbraw/zinc/34/01/13/229340113.db2.gz YMBKNDUWVYBQFV-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H](CC(=O)N1CCC[C@@H]1C)C1CCCCC1 ZINC000173142431 533630520 /nfs/dbraw/zinc/63/05/20/533630520.db2.gz YMBKNDUWVYBQFV-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](CC(=O)N1CCC[C@H]1C)C1CCCCC1 ZINC000173142437 533416207 /nfs/dbraw/zinc/41/62/07/533416207.db2.gz YMBKNDUWVYBQFV-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](CC(=O)N1CCC[C@@H]1C)C1CCCCC1 ZINC000173142443 533415004 /nfs/dbraw/zinc/41/50/04/533415004.db2.gz YMBKNDUWVYBQFV-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](c1ccccc1)[S@@](=O)C1CCCC1 ZINC000173143311 346867299 /nfs/dbraw/zinc/86/72/99/346867299.db2.gz DXYXYQAMATZYSK-HOCLYGCPSA-N 0 0 236.380 3.829 20 0 BHADRN CC[C@H](c1ccccc1)[S@@](=O)C1CCCC1 ZINC000173143318 384657509 /nfs/dbraw/zinc/65/75/09/384657509.db2.gz DXYXYQAMATZYSK-ZBFHGGJFSA-N 0 0 236.380 3.829 20 0 BHADRN CC[C@@H](c1ccccc1)[S@](=O)C1CCCC1 ZINC000173143328 346867679 /nfs/dbraw/zinc/86/76/79/346867679.db2.gz DXYXYQAMATZYSK-GOEBONIOSA-N 0 0 236.380 3.829 20 0 BHADRN CC[C@H](c1ccccc1)[S@](=O)C1CCCC1 ZINC000173143337 384656308 /nfs/dbraw/zinc/65/63/08/384656308.db2.gz DXYXYQAMATZYSK-GDBMZVCRSA-N 0 0 236.380 3.829 20 0 BHADRN Cc1cccc([C@@H](C)[S@@](=O)C2CCCC2)c1 ZINC000173143518 384657796 /nfs/dbraw/zinc/65/77/96/384657796.db2.gz ITWIVVBPROHUNB-MLGOLLRUSA-N 0 0 236.380 3.747 20 0 BHADRN Cc1cccc([C@H](C)[S@@](=O)C2CCCC2)c1 ZINC000173143527 188163584 /nfs/dbraw/zinc/16/35/84/188163584.db2.gz ITWIVVBPROHUNB-BLLLJJGKSA-N 0 0 236.380 3.747 20 0 BHADRN Cc1cccc([C@@H](C)[S@](=O)C2CCCC2)c1 ZINC000173143535 384658063 /nfs/dbraw/zinc/65/80/63/384658063.db2.gz ITWIVVBPROHUNB-WBMJQRKESA-N 0 0 236.380 3.747 20 0 BHADRN Cc1cccc([C@H](C)[S@](=O)C2CCCC2)c1 ZINC000173143544 188339258 /nfs/dbraw/zinc/33/92/58/188339258.db2.gz ITWIVVBPROHUNB-LRDDRELGSA-N 0 0 236.380 3.747 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1C ZINC000173144060 641147853 /nfs/dbraw/zinc/14/78/53/641147853.db2.gz KWQRBHMOCCMGBT-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CCC[C@@H]1C ZINC000173144067 641148093 /nfs/dbraw/zinc/14/80/93/641148093.db2.gz KWQRBHMOCCMGBT-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CCC[C@H]1C ZINC000173144074 641148250 /nfs/dbraw/zinc/14/82/50/641148250.db2.gz KWQRBHMOCCMGBT-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CCC[C@H]1C ZINC000173144083 641148082 /nfs/dbraw/zinc/14/80/82/641148082.db2.gz KWQRBHMOCCMGBT-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1cc(Cl)ccc1NC(=O)CC1CCC1 ZINC000173145279 134272549 /nfs/dbraw/zinc/27/25/49/134272549.db2.gz LAJLHTZOVDMWFV-UHFFFAOYSA-N 0 0 237.730 3.777 20 0 BHADRN CC[C@@H](CC(=O)N1CCC[C@@H]1C)c1ccccc1 ZINC000173151579 384660487 /nfs/dbraw/zinc/66/04/87/384660487.db2.gz SGVKAQJTJVUJCG-KBPBESRZSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@H](CC(=O)N1CCC[C@@H]1C)c1ccccc1 ZINC000173151590 384660385 /nfs/dbraw/zinc/66/03/85/384660385.db2.gz SGVKAQJTJVUJCG-UONOGXRCSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@@H](CC(=O)N1CCC[C@H]1C)c1ccccc1 ZINC000173151596 384661463 /nfs/dbraw/zinc/66/14/63/384661463.db2.gz SGVKAQJTJVUJCG-KGLIPLIRSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@H](CC(=O)N1CCC[C@H]1C)c1ccccc1 ZINC000173151605 384658818 /nfs/dbraw/zinc/65/88/18/384658818.db2.gz SGVKAQJTJVUJCG-ZIAGYGMSSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H]1C ZINC000173161602 529461381 /nfs/dbraw/zinc/46/13/81/529461381.db2.gz WUXMDAYOBXQQBP-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N1CCC[C@@H]1C ZINC000173161613 529319745 /nfs/dbraw/zinc/31/97/45/529319745.db2.gz WUXMDAYOBXQQBP-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C ZINC000173161622 529461268 /nfs/dbraw/zinc/46/12/68/529461268.db2.gz WUXMDAYOBXQQBP-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N1CCC[C@H]1C ZINC000173161633 529319653 /nfs/dbraw/zinc/31/96/53/529319653.db2.gz WUXMDAYOBXQQBP-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CCC(CC)[S@@](=O)CCCc1ccccc1 ZINC000173163375 168409445 /nfs/dbraw/zinc/40/94/45/168409445.db2.gz KBNZOQIPEBIQRA-INIZCTEOSA-N 0 0 238.396 3.557 20 0 BHADRN CCC(CC)[S@](=O)CCCc1ccccc1 ZINC000173163388 168410001 /nfs/dbraw/zinc/41/00/01/168410001.db2.gz KBNZOQIPEBIQRA-MRXNPFEDSA-N 0 0 238.396 3.557 20 0 BHADRN CCC(CC)[S@@](=O)[C@@H](C)c1cccc(C)c1 ZINC000173163518 384660458 /nfs/dbraw/zinc/66/04/58/384660458.db2.gz TUOZCRRWFZCUKS-LRDDRELGSA-N 0 0 238.396 3.993 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@@H]1C)c1ccccc1 ZINC000173163526 527973097 /nfs/dbraw/zinc/97/30/97/527973097.db2.gz IOXFTXFNLDEYEQ-ZFWWWQNUSA-N 0 0 245.366 3.581 20 0 BHADRN CCC(CC)[S@](=O)[C@@H](C)c1cccc(C)c1 ZINC000173163530 384660339 /nfs/dbraw/zinc/66/03/39/384660339.db2.gz TUOZCRRWFZCUKS-BLLLJJGKSA-N 0 0 238.396 3.993 20 0 BHADRN CCC[C@@H](C(=O)N1CCC[C@@H]1C)c1ccccc1 ZINC000173163534 528838778 /nfs/dbraw/zinc/83/87/78/528838778.db2.gz IOXFTXFNLDEYEQ-DZGCQCFKSA-N 0 0 245.366 3.581 20 0 BHADRN CCC(CC)[S@@](=O)[C@H](C)c1cccc(C)c1 ZINC000173163539 384659882 /nfs/dbraw/zinc/65/98/82/384659882.db2.gz TUOZCRRWFZCUKS-WBMJQRKESA-N 0 0 238.396 3.993 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@H]1C)c1ccccc1 ZINC000173163547 527973619 /nfs/dbraw/zinc/97/36/19/527973619.db2.gz IOXFTXFNLDEYEQ-HIFRSBDPSA-N 0 0 245.366 3.581 20 0 BHADRN CCC(CC)[S@](=O)[C@H](C)c1cccc(C)c1 ZINC000173163548 168410614 /nfs/dbraw/zinc/41/06/14/168410614.db2.gz TUOZCRRWFZCUKS-MLGOLLRUSA-N 0 0 238.396 3.993 20 0 BHADRN CCC[C@@H](C(=O)N1CCC[C@H]1C)c1ccccc1 ZINC000173163555 528838038 /nfs/dbraw/zinc/83/80/38/528838038.db2.gz IOXFTXFNLDEYEQ-UKRRQHHQSA-N 0 0 245.366 3.581 20 0 BHADRN C[C@@H]1CCCN1C(=O)c1csc2ccccc12 ZINC000173166331 176107302 /nfs/dbraw/zinc/10/73/02/176107302.db2.gz KLAGSQMVSGIBKF-SNVBAGLBSA-N 0 0 245.347 3.526 20 0 BHADRN C[C@H]1CCCN1C(=O)c1csc2ccccc12 ZINC000173166341 177109157 /nfs/dbraw/zinc/10/91/57/177109157.db2.gz KLAGSQMVSGIBKF-JTQLQIEISA-N 0 0 245.347 3.526 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1CCC[C@@H]1C ZINC000173171844 641148044 /nfs/dbraw/zinc/14/80/44/641148044.db2.gz YMOYHUYQMMPESD-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1CCC[C@@H]1C ZINC000173171852 641148820 /nfs/dbraw/zinc/14/88/20/641148820.db2.gz YMOYHUYQMMPESD-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1CCC[C@H]1C ZINC000173171864 641148934 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ZINC000173759971 205548338 /nfs/dbraw/zinc/54/83/38/205548338.db2.gz QFXAAHGXBNBPOI-UHFFFAOYSA-N 0 0 225.357 3.797 20 0 BHADRN O=C(CCC1CCCC1)N1CCC2(CCCC2)C1 ZINC000173763540 134275292 /nfs/dbraw/zinc/27/52/92/134275292.db2.gz LNHDSFJKRSPKJL-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN Cc1cccc([C@@H](C)SC[C@@H]2CCCO2)c1 ZINC000173764844 534759106 /nfs/dbraw/zinc/75/91/06/534759106.db2.gz XBVQCFBTHUZYAV-OCCSQVGLSA-N 0 0 236.380 3.968 20 0 BHADRN Cc1cccc([C@H](C)SC[C@@H]2CCCO2)c1 ZINC000173764857 229359872 /nfs/dbraw/zinc/35/98/72/229359872.db2.gz XBVQCFBTHUZYAV-JSGCOSHPSA-N 0 0 236.380 3.968 20 0 BHADRN Cc1cccc([C@@H](C)SC[C@H]2CCCO2)c1 ZINC000173764870 384266690 /nfs/dbraw/zinc/26/66/90/384266690.db2.gz XBVQCFBTHUZYAV-TZMCWYRMSA-N 0 0 236.380 3.968 20 0 BHADRN Cc1cccc([C@H](C)SC[C@H]2CCCO2)c1 ZINC000173764886 205548899 /nfs/dbraw/zinc/54/88/99/205548899.db2.gz XBVQCFBTHUZYAV-GXTWGEPZSA-N 0 0 236.380 3.968 20 0 BHADRN C[C@@H](c1ccco1)N(C(=O)CC1CCC1)C1CC1 ZINC000173765957 176030119 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UDARSASIELXMDB-SNVBAGLBSA-N 0 0 248.351 3.681 20 0 BHADRN Cc1nc(CS[C@@H](C)c2cccc(C)c2)no1 ZINC000173776147 187993091 /nfs/dbraw/zinc/99/30/91/187993091.db2.gz UDARSASIELXMDB-JTQLQIEISA-N 0 0 248.351 3.681 20 0 BHADRN CC(C)c1noc([C@@H](C)SCC2CCC2)n1 ZINC000173783920 205542928 /nfs/dbraw/zinc/54/29/28/205542928.db2.gz ZYWZDQHEJIUVIC-SECBINFHSA-N 0 0 240.372 3.787 20 0 BHADRN CC(C)c1noc([C@H](C)SCC2CCC2)n1 ZINC000173783932 384260154 /nfs/dbraw/zinc/26/01/54/384260154.db2.gz ZYWZDQHEJIUVIC-VIFPVBQESA-N 0 0 240.372 3.787 20 0 BHADRN COC[C@H](C)SCc1csc(C(C)C)n1 ZINC000173785935 384720820 /nfs/dbraw/zinc/72/08/20/384720820.db2.gz HABDXRDUNDJHFB-VIFPVBQESA-N 0 0 245.413 3.535 20 0 BHADRN COC[C@@H](C)SCc1csc(C(C)C)n1 ZINC000173785949 205546244 /nfs/dbraw/zinc/54/62/44/205546244.db2.gz HABDXRDUNDJHFB-SECBINFHSA-N 0 0 245.413 3.535 20 0 BHADRN CCSCc1cc(C)nc2ccccc12 ZINC000173786426 134277710 /nfs/dbraw/zinc/27/77/10/134277710.db2.gz HRWHOHOAVORWMC-UHFFFAOYSA-N 0 0 217.337 3.796 20 0 BHADRN CC(C)[C@H](C(=O)NCC(C)(C)C)c1ccccc1 ZINC000173786547 528915774 /nfs/dbraw/zinc/91/57/74/528915774.db2.gz IOQNYGTXGQMSGG-AWEZNQCLSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)[C@@H](C(=O)NCC(C)(C)C)c1ccccc1 ZINC000173786557 528359222 /nfs/dbraw/zinc/35/92/22/528359222.db2.gz IOQNYGTXGQMSGG-CQSZACIVSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)(C)CNC(=O)CCCC1CCCC1 ZINC000173786755 527686636 /nfs/dbraw/zinc/68/66/36/527686636.db2.gz SXLCCZQKWYKBAA-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCSCc1ncc(-c2ccccc2F)o1 ZINC000173786963 384721231 /nfs/dbraw/zinc/72/12/31/384721231.db2.gz BCRBUABQQDMULY-UHFFFAOYSA-N 0 0 237.299 3.734 20 0 BHADRN C[C@H](SCC1CCC1)c1nc(C2CC2)no1 ZINC000173790791 384262946 /nfs/dbraw/zinc/26/29/46/384262946.db2.gz GJTHXASTPSELKH-QMMMGPOBSA-N 0 0 238.356 3.541 20 0 BHADRN C[C@@H](SCC1CCC1)c1nc(C2CC2)no1 ZINC000173790806 384262829 /nfs/dbraw/zinc/26/28/29/384262829.db2.gz GJTHXASTPSELKH-MRVPVSSYSA-N 0 0 238.356 3.541 20 0 BHADRN COC[C@H](C)S[C@@H](C)CCc1ccccc1 ZINC000173791565 205546648 /nfs/dbraw/zinc/54/66/48/205546648.db2.gz LTWOKDBSRBQSGM-STQMWFEESA-N 0 0 238.396 3.776 20 0 BHADRN COC[C@H](C)S[C@H](C)CCc1ccccc1 ZINC000173791578 384263471 /nfs/dbraw/zinc/26/34/71/384263471.db2.gz LTWOKDBSRBQSGM-OLZOCXBDSA-N 0 0 238.396 3.776 20 0 BHADRN COC[C@@H](C)S[C@@H](C)CCc1ccccc1 ZINC000173791590 384262601 /nfs/dbraw/zinc/26/26/01/384262601.db2.gz LTWOKDBSRBQSGM-QWHCGFSZSA-N 0 0 238.396 3.776 20 0 BHADRN COC[C@@H](C)S[C@H](C)CCc1ccccc1 ZINC000173791601 205545905 /nfs/dbraw/zinc/54/59/05/205545905.db2.gz LTWOKDBSRBQSGM-CHWSQXEVSA-N 0 0 238.396 3.776 20 0 BHADRN COC[C@H](C)S[C@@H](C)c1cccc(F)c1 ZINC000173792295 384720116 /nfs/dbraw/zinc/72/01/16/384720116.db2.gz CQXJCTNWAWCLDJ-UWVGGRQHSA-N 0 0 228.332 3.655 20 0 BHADRN COC[C@@H](C)S[C@@H](C)c1cccc(F)c1 ZINC000173792312 174464002 /nfs/dbraw/zinc/46/40/02/174464002.db2.gz CQXJCTNWAWCLDJ-ZJUUUORDSA-N 0 0 228.332 3.655 20 0 BHADRN COC[C@H](C)S[C@H](C)c1cccc(F)c1 ZINC000173792325 384720239 /nfs/dbraw/zinc/72/02/39/384720239.db2.gz CQXJCTNWAWCLDJ-VHSXEESVSA-N 0 0 228.332 3.655 20 0 BHADRN COC[C@@H](C)S[C@H](C)c1cccc(F)c1 ZINC000173792336 384721185 /nfs/dbraw/zinc/72/11/85/384721185.db2.gz CQXJCTNWAWCLDJ-NXEZZACHSA-N 0 0 228.332 3.655 20 0 BHADRN COC[C@H](C)S[C@@H](C)c1cc(F)ccc1F ZINC000173792979 384263805 /nfs/dbraw/zinc/26/38/05/384263805.db2.gz RJGNQYPHTBCJQI-IUCAKERBSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@@H](C)S[C@@H](C)c1cc(F)ccc1F ZINC000173792994 384262704 /nfs/dbraw/zinc/26/27/04/384262704.db2.gz RJGNQYPHTBCJQI-BDAKNGLRSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@H](C)S[C@H](C)c1cc(F)ccc1F ZINC000173793002 384261578 /nfs/dbraw/zinc/26/15/78/384261578.db2.gz RJGNQYPHTBCJQI-DTWKUNHWSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@@H](C)S[C@H](C)c1cc(F)ccc1F ZINC000173793012 384263875 /nfs/dbraw/zinc/26/38/75/384263875.db2.gz RJGNQYPHTBCJQI-RKDXNWHRSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@H](C)S[C@@H](C)c1ccc(F)c(F)c1 ZINC000173795461 205543885 /nfs/dbraw/zinc/54/38/85/205543885.db2.gz FZAREJXBYLBGIO-IUCAKERBSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@@H](C)S[C@@H](C)c1ccc(F)c(F)c1 ZINC000173795473 384263340 /nfs/dbraw/zinc/26/33/40/384263340.db2.gz FZAREJXBYLBGIO-BDAKNGLRSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@H](C)S[C@H](C)c1ccc(F)c(F)c1 ZINC000173795484 205686971 /nfs/dbraw/zinc/68/69/71/205686971.db2.gz FZAREJXBYLBGIO-DTWKUNHWSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@@H](C)S[C@H](C)c1ccc(F)c(F)c1 ZINC000173795498 384722568 /nfs/dbraw/zinc/72/25/68/384722568.db2.gz FZAREJXBYLBGIO-RKDXNWHRSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@H](C)S[C@@H](C)c1ccc(F)cc1F ZINC000173795660 205543745 /nfs/dbraw/zinc/54/37/45/205543745.db2.gz LINLDLCBWCIZFS-IUCAKERBSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@@H](C)S[C@@H](C)c1ccc(F)cc1F ZINC000173795668 384263725 /nfs/dbraw/zinc/26/37/25/384263725.db2.gz LINLDLCBWCIZFS-BDAKNGLRSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@H](C)S[C@H](C)c1ccc(F)cc1F ZINC000173795680 384262799 /nfs/dbraw/zinc/26/27/99/384262799.db2.gz LINLDLCBWCIZFS-DTWKUNHWSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@@H](C)S[C@H](C)c1ccc(F)cc1F ZINC000173795691 384263523 /nfs/dbraw/zinc/26/35/23/384263523.db2.gz LINLDLCBWCIZFS-RKDXNWHRSA-N 0 0 246.322 3.794 20 0 BHADRN COC[C@H](C)SCc1cc(C)sc1C ZINC000173800101 384269131 /nfs/dbraw/zinc/26/91/31/384269131.db2.gz SYSVLQRHUYZPSG-VIFPVBQESA-N 0 0 230.398 3.633 20 0 BHADRN COC[C@@H](C)SCc1cc(C)sc1C ZINC000173800166 384268645 /nfs/dbraw/zinc/26/86/45/384268645.db2.gz SYSVLQRHUYZPSG-SECBINFHSA-N 0 0 230.398 3.633 20 0 BHADRN CCOc1ccccc1OCCSC(C)C ZINC000173805911 384722794 /nfs/dbraw/zinc/72/27/94/384722794.db2.gz PYUSEKWLWHTPTJ-UHFFFAOYSA-N 0 0 240.368 3.606 20 0 BHADRN c1coc(-c2cc(CSCC3CCC3)no2)c1 ZINC000173807547 384269260 /nfs/dbraw/zinc/26/92/60/384269260.db2.gz AZFUWXWNJASKCK-UHFFFAOYSA-N 0 0 249.335 3.968 20 0 BHADRN CC[C@H](S[C@@H](C)COC)c1ccccc1 ZINC000173807828 529176831 /nfs/dbraw/zinc/17/68/31/529176831.db2.gz JYVAMORCVREHEK-AAEUAGOBSA-N 0 0 224.369 3.906 20 0 BHADRN CC[C@@H](S[C@@H](C)COC)c1ccccc1 ZINC000173807837 529253369 /nfs/dbraw/zinc/25/33/69/529253369.db2.gz JYVAMORCVREHEK-WCQYABFASA-N 0 0 224.369 3.906 20 0 BHADRN CC[C@H](S[C@H](C)COC)c1ccccc1 ZINC000173807851 529176809 /nfs/dbraw/zinc/17/68/09/529176809.db2.gz JYVAMORCVREHEK-YPMHNXCESA-N 0 0 224.369 3.906 20 0 BHADRN CC[C@@H](S[C@H](C)COC)c1ccccc1 ZINC000173807862 529253487 /nfs/dbraw/zinc/25/34/87/529253487.db2.gz JYVAMORCVREHEK-DGCLKSJQSA-N 0 0 224.369 3.906 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NCc1ccoc1 ZINC000173812727 641205218 /nfs/dbraw/zinc/20/52/18/641205218.db2.gz VKYYLJLLORLUHL-GFCCVEGCSA-N 0 0 237.343 3.502 20 0 BHADRN CCCCC[C@H](C)CC(=O)NCc1ccoc1 ZINC000173812740 641206292 /nfs/dbraw/zinc/20/62/92/641206292.db2.gz VKYYLJLLORLUHL-LBPRGKRZSA-N 0 0 237.343 3.502 20 0 BHADRN C/C=C/CSCCC(=O)Nc1ccccc1C ZINC000173815665 187304998 /nfs/dbraw/zinc/30/49/98/187304998.db2.gz CIHSSHFDZATMHW-ONEGZZNKSA-N 0 0 249.379 3.633 20 0 BHADRN Cc1cccc([C@@H](C)SCc2ccon2)c1 ZINC000173835144 188163521 /nfs/dbraw/zinc/16/35/21/188163521.db2.gz KDOXWEMTOOUUML-LLVKDONJSA-N 0 0 233.336 3.977 20 0 BHADRN Cc1cccc([C@H](C)SCc2ccon2)c1 ZINC000173835159 188163264 /nfs/dbraw/zinc/16/32/64/188163264.db2.gz KDOXWEMTOOUUML-NSHDSACASA-N 0 0 233.336 3.977 20 0 BHADRN Clc1ccc(CSCC2CCC2)cn1 ZINC000173855771 633727213 /nfs/dbraw/zinc/72/72/13/633727213.db2.gz QBELSRGXHXQPAI-UHFFFAOYSA-N 0 0 227.760 3.768 20 0 BHADRN O=C(CCSCC1CCC1)Nc1ccccc1 ZINC000173857703 384729262 /nfs/dbraw/zinc/72/92/62/384729262.db2.gz XSZYMYXHFSNUSS-UHFFFAOYSA-N 0 0 249.379 3.549 20 0 BHADRN C[C@H](SCC1CCC1)C(=O)Nc1ccccc1 ZINC000173858560 177027304 /nfs/dbraw/zinc/02/73/04/177027304.db2.gz KNTVNILLCGCWQS-NSHDSACASA-N 0 0 249.379 3.547 20 0 BHADRN C[C@@H](SCC1CCC1)C(=O)Nc1ccccc1 ZINC000173858572 176008270 /nfs/dbraw/zinc/00/82/70/176008270.db2.gz KNTVNILLCGCWQS-LLVKDONJSA-N 0 0 249.379 3.547 20 0 BHADRN COC[C@H](C)S[C@H](C)c1cccc(C)c1 ZINC000173872960 384274860 /nfs/dbraw/zinc/27/48/60/384274860.db2.gz AWAIXODQMZEVPG-NWDGAFQWSA-N 0 0 224.369 3.824 20 0 BHADRN COC[C@H](C)S[C@@H](C)c1cccc(C)c1 ZINC000173872974 384275500 /nfs/dbraw/zinc/27/55/00/384275500.db2.gz AWAIXODQMZEVPG-RYUDHWBXSA-N 0 0 224.369 3.824 20 0 BHADRN COC[C@@H](C)S[C@H](C)c1cccc(C)c1 ZINC000173872986 224534074 /nfs/dbraw/zinc/53/40/74/224534074.db2.gz AWAIXODQMZEVPG-VXGBXAGGSA-N 0 0 224.369 3.824 20 0 BHADRN COC[C@@H](C)S[C@@H](C)c1cccc(C)c1 ZINC000173872996 224532587 /nfs/dbraw/zinc/53/25/87/224532587.db2.gz AWAIXODQMZEVPG-NEPJUHHUSA-N 0 0 224.369 3.824 20 0 BHADRN CCOCCS[C@@H](C)c1cccc(C)c1 ZINC000173873012 343695735 /nfs/dbraw/zinc/69/57/35/343695735.db2.gz QFTSIIQFKUKDDH-LBPRGKRZSA-N 0 0 224.369 3.826 20 0 BHADRN CCOCCS[C@H](C)c1cccc(C)c1 ZINC000173873023 365451545 /nfs/dbraw/zinc/45/15/45/365451545.db2.gz QFTSIIQFKUKDDH-GFCCVEGCSA-N 0 0 224.369 3.826 20 0 BHADRN COC[C@H](C)Sc1cc(C)nc2ccccc21 ZINC000173879609 397834185 /nfs/dbraw/zinc/83/41/85/397834185.db2.gz PWJNTTICKUTBJD-NSHDSACASA-N 0 0 247.363 3.670 20 0 BHADRN COC[C@@H](C)Sc1cc(C)nc2ccccc21 ZINC000173879618 397834219 /nfs/dbraw/zinc/83/42/19/397834219.db2.gz PWJNTTICKUTBJD-LLVKDONJSA-N 0 0 247.363 3.670 20 0 BHADRN CC1CCC(N(C(=O)CC2CCC2)C2CC2)CC1 ZINC000173882031 134278330 /nfs/dbraw/zinc/27/83/30/134278330.db2.gz LBUKQEIMEPNCHQ-UHFFFAOYSA-N 0 0 249.398 3.746 20 0 BHADRN COC[C@H](C)SCc1cccc2cccnc21 ZINC000173887517 384733743 /nfs/dbraw/zinc/73/37/43/384733743.db2.gz QBLXATLFFGUHOP-NSHDSACASA-N 0 0 247.363 3.503 20 0 BHADRN COC[C@@H](C)SCc1cccc2cccnc21 ZINC000173887531 384732539 /nfs/dbraw/zinc/73/25/39/384732539.db2.gz QBLXATLFFGUHOP-LLVKDONJSA-N 0 0 247.363 3.503 20 0 BHADRN COC[C@H](C)SCc1ccc2ccccc2n1 ZINC000173889751 384732832 /nfs/dbraw/zinc/73/28/32/384732832.db2.gz DZHNJUIJFXQWRF-NSHDSACASA-N 0 0 247.363 3.503 20 0 BHADRN COC[C@@H](C)SCc1ccc2ccccc2n1 ZINC000173889765 384732328 /nfs/dbraw/zinc/73/23/28/384732328.db2.gz DZHNJUIJFXQWRF-LLVKDONJSA-N 0 0 247.363 3.503 20 0 BHADRN Cc1ccc(C)c(OC(=O)CCC(F)(F)F)c1 ZINC000173922967 178486993 /nfs/dbraw/zinc/48/69/93/178486993.db2.gz VMCBWKPLFXEQOH-UHFFFAOYSA-N 0 0 246.228 3.551 20 0 BHADRN Cc1ccc(OC(=O)CCC(F)(F)F)cc1C ZINC000173923181 384736977 /nfs/dbraw/zinc/73/69/77/384736977.db2.gz LOSURGMCUPGJMX-UHFFFAOYSA-N 0 0 246.228 3.551 20 0 BHADRN Cc1cc(C)cc(OC(=O)CCC(F)(F)F)c1 ZINC000173923372 641214201 /nfs/dbraw/zinc/21/42/01/641214201.db2.gz BRDLBCRXXOLSFR-UHFFFAOYSA-N 0 0 246.228 3.551 20 0 BHADRN CC[C@H](SC[C@@H](C)CO)c1ccc(F)cc1 ZINC000173926732 529176149 /nfs/dbraw/zinc/17/61/49/529176149.db2.gz SPJXXLFUFADJFB-GWCFXTLKSA-N 0 0 242.359 3.638 20 0 BHADRN CC[C@@H](SC[C@@H](C)CO)c1ccc(F)cc1 ZINC000173926743 529253455 /nfs/dbraw/zinc/25/34/55/529253455.db2.gz SPJXXLFUFADJFB-GXFFZTMASA-N 0 0 242.359 3.638 20 0 BHADRN CC[C@H](SC[C@H](C)CO)c1ccc(F)cc1 ZINC000173926758 529175953 /nfs/dbraw/zinc/17/59/53/529175953.db2.gz SPJXXLFUFADJFB-MFKMUULPSA-N 0 0 242.359 3.638 20 0 BHADRN CC[C@@H](SC[C@H](C)CO)c1ccc(F)cc1 ZINC000173926770 529253447 /nfs/dbraw/zinc/25/34/47/529253447.db2.gz SPJXXLFUFADJFB-ZWNOBZJWSA-N 0 0 242.359 3.638 20 0 BHADRN Cc1cccc(OC(=O)CCC(F)(F)F)c1C ZINC000173926777 179162589 /nfs/dbraw/zinc/16/25/89/179162589.db2.gz WEBHNDONEQPSIN-UHFFFAOYSA-N 0 0 246.228 3.551 20 0 BHADRN C[C@@H](CO)CS[C@@H](C)c1ccccc1Cl ZINC000173928199 534112972 /nfs/dbraw/zinc/11/29/72/534112972.db2.gz ZWKOTEXNUBJCCR-UWVGGRQHSA-N 0 0 244.787 3.763 20 0 BHADRN C[C@H](CO)CS[C@@H](C)c1ccccc1Cl ZINC000173928211 229368222 /nfs/dbraw/zinc/36/82/22/229368222.db2.gz ZWKOTEXNUBJCCR-ZJUUUORDSA-N 0 0 244.787 3.763 20 0 BHADRN C[C@@H](SC[C@@H](C)CO)c1ccccc1Cl ZINC000173928224 229367905 /nfs/dbraw/zinc/36/79/05/229367905.db2.gz ZWKOTEXNUBJCCR-VHSXEESVSA-N 0 0 244.787 3.763 20 0 BHADRN C[C@H](CO)CS[C@H](C)c1ccccc1Cl ZINC000173928236 229368877 /nfs/dbraw/zinc/36/88/77/229368877.db2.gz ZWKOTEXNUBJCCR-NXEZZACHSA-N 0 0 244.787 3.763 20 0 BHADRN C[C@@H](CO)CSCc1ccc2ccccc2c1 ZINC000173933350 384735025 /nfs/dbraw/zinc/73/50/25/384735025.db2.gz YXEVIEMNLYGCFT-LBPRGKRZSA-N 0 0 246.375 3.701 20 0 BHADRN C[C@H](CO)CSCc1ccc2ccccc2c1 ZINC000173933361 229369950 /nfs/dbraw/zinc/36/99/50/229369950.db2.gz YXEVIEMNLYGCFT-GFCCVEGCSA-N 0 0 246.375 3.701 20 0 BHADRN C[C@@H](CO)CS[C@@H](C)c1cccc(Cl)c1 ZINC000173934535 534113512 /nfs/dbraw/zinc/11/35/12/534113512.db2.gz GBUBJDREMAVUOH-UWVGGRQHSA-N 0 0 244.787 3.763 20 0 BHADRN C[C@H](CO)CS[C@@H](C)c1cccc(Cl)c1 ZINC000173934548 229370458 /nfs/dbraw/zinc/37/04/58/229370458.db2.gz GBUBJDREMAVUOH-ZJUUUORDSA-N 0 0 244.787 3.763 20 0 BHADRN C[C@@H](SC[C@@H](C)CO)c1cccc(Cl)c1 ZINC000173934555 229370646 /nfs/dbraw/zinc/37/06/46/229370646.db2.gz GBUBJDREMAVUOH-VHSXEESVSA-N 0 0 244.787 3.763 20 0 BHADRN C[C@H](CO)CS[C@H](C)c1cccc(Cl)c1 ZINC000173934567 229370671 /nfs/dbraw/zinc/37/06/71/229370671.db2.gz GBUBJDREMAVUOH-NXEZZACHSA-N 0 0 244.787 3.763 20 0 BHADRN CC(C)CCSc1nnc(C2CC2)s1 ZINC000173942340 527798245 /nfs/dbraw/zinc/79/82/45/527798245.db2.gz POWZYFPIGWQWLL-UHFFFAOYSA-N 0 0 228.386 3.554 20 0 BHADRN C(Sc1nnc(C2CC2)s1)C1CCCC1 ZINC000173943068 365458090 /nfs/dbraw/zinc/45/80/90/365458090.db2.gz FMBCKPUBTMGGAJ-UHFFFAOYSA-N 0 0 240.397 3.698 20 0 BHADRN CCCCCSc1nnc(C2CC2)s1 ZINC000173944780 528251721 /nfs/dbraw/zinc/25/17/21/528251721.db2.gz UAXBKDKWFUGYSO-UHFFFAOYSA-N 0 0 228.386 3.698 20 0 BHADRN C[C@@H]1CN(C(=O)CC(C)(C)C)[C@@H]1c1ccccc1 ZINC000173960216 176244639 /nfs/dbraw/zinc/24/46/39/176244639.db2.gz OBUBNFLPQMEWJY-DOMZBBRYSA-N 0 0 245.366 3.642 20 0 BHADRN C[C@H]1CN(C(=O)CC(C)(C)C)[C@@H]1c1ccccc1 ZINC000173960228 177214171 /nfs/dbraw/zinc/21/41/71/177214171.db2.gz OBUBNFLPQMEWJY-WFASDCNBSA-N 0 0 245.366 3.642 20 0 BHADRN C[C@@H]1CN(C(=O)CC(C)(C)C)[C@H]1c1ccccc1 ZINC000173960244 176244118 /nfs/dbraw/zinc/24/41/18/176244118.db2.gz OBUBNFLPQMEWJY-IUODEOHRSA-N 0 0 245.366 3.642 20 0 BHADRN C[C@H]1CN(C(=O)CC(C)(C)C)[C@H]1c1ccccc1 ZINC000173960257 177214213 /nfs/dbraw/zinc/21/42/13/177214213.db2.gz OBUBNFLPQMEWJY-SWLSCSKDSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccccc1 ZINC000173967229 529334664 /nfs/dbraw/zinc/33/46/64/529334664.db2.gz NGXGLMWGOBWCHK-VXGBXAGGSA-N 0 0 234.343 3.633 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccccc1 ZINC000173967245 529678099 /nfs/dbraw/zinc/67/80/99/529678099.db2.gz NGXGLMWGOBWCHK-NWDGAFQWSA-N 0 0 234.343 3.633 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccccc1 ZINC000173967261 529336882 /nfs/dbraw/zinc/33/68/82/529336882.db2.gz NGXGLMWGOBWCHK-NEPJUHHUSA-N 0 0 234.343 3.633 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)Nc1ccccc1 ZINC000173967270 529682785 /nfs/dbraw/zinc/68/27/85/529682785.db2.gz NGXGLMWGOBWCHK-RYUDHWBXSA-N 0 0 234.343 3.633 20 0 BHADRN CC(C)CCC[C@@H](C)N(CCC(C)C)C(N)=O ZINC000173979703 527705097 /nfs/dbraw/zinc/70/50/97/527705097.db2.gz PEXUSDCUGDOBKP-CYBMUJFWSA-N 0 0 242.407 3.628 20 0 BHADRN C[C@H](OC(=O)CC1CCC1)c1ccccc1F ZINC000173982748 641226008 /nfs/dbraw/zinc/22/60/08/641226008.db2.gz XCBPERKBKNXJBL-JTQLQIEISA-N 0 0 236.286 3.620 20 0 BHADRN C[C@@H](OC(=O)CC1CCC1)c1ccccc1F ZINC000173982763 641225907 /nfs/dbraw/zinc/22/59/07/641225907.db2.gz XCBPERKBKNXJBL-SNVBAGLBSA-N 0 0 236.286 3.620 20 0 BHADRN CCC[C@@H](C)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000173985781 169349070 /nfs/dbraw/zinc/34/90/70/169349070.db2.gz LPZXTZMYEWNVDJ-VNHYZAJKSA-N 0 0 245.366 3.642 20 0 BHADRN CCC[C@H](C)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000173985792 384743564 /nfs/dbraw/zinc/74/35/64/384743564.db2.gz LPZXTZMYEWNVDJ-KCQAQPDRSA-N 0 0 245.366 3.642 20 0 BHADRN CCC[C@@H](C)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000173985802 169349085 /nfs/dbraw/zinc/34/90/85/169349085.db2.gz LPZXTZMYEWNVDJ-UMVBOHGHSA-N 0 0 245.366 3.642 20 0 BHADRN CCC[C@H](C)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000173985811 169470663 /nfs/dbraw/zinc/47/06/63/169470663.db2.gz LPZXTZMYEWNVDJ-GZBFAFLISA-N 0 0 245.366 3.642 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC2(C1)CCCCC2 ZINC000173994106 641222181 /nfs/dbraw/zinc/22/21/81/641222181.db2.gz KIHOLFGZFZCCIM-NTUHNPAUSA-N 0 0 235.371 3.526 20 0 BHADRN CCC(C)(C)C(=O)N1CCC2(C1)CCCCC2 ZINC000173999082 134280083 /nfs/dbraw/zinc/28/00/83/134280083.db2.gz UCHBZHZLBVEFGM-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC(C)CCC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000173999250 384741758 /nfs/dbraw/zinc/74/17/58/384741758.db2.gz IYBZZEQEWSRBHE-CJNGLKHVSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)CCC(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000173999259 384742279 /nfs/dbraw/zinc/74/22/79/384742279.db2.gz IYBZZEQEWSRBHE-BBRMVZONSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)CCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000173999272 166790301 /nfs/dbraw/zinc/79/03/01/166790301.db2.gz IYBZZEQEWSRBHE-CZUORRHYSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)CCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000173999284 384741990 /nfs/dbraw/zinc/74/19/90/384741990.db2.gz IYBZZEQEWSRBHE-XJKSGUPXSA-N 0 0 245.366 3.642 20 0 BHADRN O=C(c1ccsc1)N1CCC2(C1)CCCCC2 ZINC000174000453 384742417 /nfs/dbraw/zinc/74/24/17/384742417.db2.gz QXGLQLKGGRVGGT-UHFFFAOYSA-N 0 0 249.379 3.545 20 0 BHADRN O=C(C[C@H]1C=CCC1)N1CCC2(C1)CCCCC2 ZINC000174000528 134280208 /nfs/dbraw/zinc/28/02/08/134280208.db2.gz FOZKBGDGGQZQAB-AWEZNQCLSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(C[C@@H]1C=CCC1)N1CCC2(C1)CCCCC2 ZINC000174000539 134279819 /nfs/dbraw/zinc/27/98/19/134279819.db2.gz FOZKBGDGGQZQAB-CQSZACIVSA-N 0 0 247.382 3.526 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCC2(C1)CCCCC2 ZINC000174001075 134280106 /nfs/dbraw/zinc/28/01/06/134280106.db2.gz MHMKGZDJMGOANB-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@H](C)C(=O)N1CCC2(C1)CCCCC2 ZINC000174001086 535586698 /nfs/dbraw/zinc/58/66/98/535586698.db2.gz MHMKGZDJMGOANB-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@]1(C)CCCN(C(=O)Nc2ccccc2)C1 ZINC000174002620 384742256 /nfs/dbraw/zinc/74/22/56/384742256.db2.gz HOAITRJSRLXMJZ-OAHLLOKOSA-N 0 0 246.354 3.731 20 0 BHADRN CC[C@@]1(C)CCCN(C(=O)Nc2ccccc2)C1 ZINC000174002633 171199828 /nfs/dbraw/zinc/19/98/28/171199828.db2.gz HOAITRJSRLXMJZ-HNNXBMFYSA-N 0 0 246.354 3.731 20 0 BHADRN O=C(CC1CCCC1)N1CCC2(C1)CCCCC2 ZINC000174003233 229373225 /nfs/dbraw/zinc/37/32/25/229373225.db2.gz AOUMXZZXQMWZIV-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN CC(C)(C)CC(=O)N1CCC2(C1)CCCCC2 ZINC000174003264 134280250 /nfs/dbraw/zinc/28/02/50/134280250.db2.gz MKAMEQKOWAYQSU-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC(C)CCC(=O)N1CCC2(C1)CCCCC2 ZINC000174005552 134280662 /nfs/dbraw/zinc/28/06/62/134280662.db2.gz WKQRGPOQZOMERH-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCC(=O)N1CCC2(C1)CCCCC2 ZINC000174006054 528101348 /nfs/dbraw/zinc/10/13/48/528101348.db2.gz RAHVMWNOQQPKJF-UHFFFAOYSA-N 0 0 237.387 3.750 20 0 BHADRN O=C(c1cccs1)N1CCC2(C1)CCCCC2 ZINC000174006185 397834747 /nfs/dbraw/zinc/83/47/47/397834747.db2.gz GHRSPKKFGIYCRT-UHFFFAOYSA-N 0 0 249.379 3.545 20 0 BHADRN CCC(CC)C(=O)N1CCC2(C1)CCCCC2 ZINC000174006269 535002622 /nfs/dbraw/zinc/00/26/22/535002622.db2.gz WDCWPSFDVANROK-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN O=C(C1CCCCC1)N1CCC2(C1)CCCCC2 ZINC000174008662 134280515 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/nfs/dbraw/zinc/96/27/15/534962715.db2.gz UOCXSMIAJPSKSN-CJNGLKHVSA-N 0 0 245.366 3.786 20 0 BHADRN Cc1cnc(COc2cccc3ccccc32)o1 ZINC000174064323 134278977 /nfs/dbraw/zinc/27/89/77/134278977.db2.gz XZLOYIKZOALXPQ-UHFFFAOYSA-N 0 0 239.274 3.715 20 0 BHADRN Cc1cnc(COc2ccc3ccccc3c2)o1 ZINC000174064562 229376606 /nfs/dbraw/zinc/37/66/06/229376606.db2.gz TWDVICZDIOHPAH-UHFFFAOYSA-N 0 0 239.274 3.715 20 0 BHADRN Cc1cnc(COc2ccc(Cl)cc2C)o1 ZINC000174066703 179616093 /nfs/dbraw/zinc/61/60/93/179616093.db2.gz MQICIEWZOWVDEY-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN Cc1cnc(COc2cc(C(C)C)ccc2C)o1 ZINC000174073470 229375661 /nfs/dbraw/zinc/37/56/61/229375661.db2.gz YMYAQDAMUIGRJK-UHFFFAOYSA-N 0 0 245.322 3.994 20 0 BHADRN CSCCCOc1cccc2ccc(C)nc21 ZINC000174089107 134278988 /nfs/dbraw/zinc/27/89/88/134278988.db2.gz MKSPYQRWGQYEHO-UHFFFAOYSA-N 0 0 247.363 3.675 20 0 BHADRN CCCOc1ccccc1OCCCSC ZINC000174091723 134278900 /nfs/dbraw/zinc/27/89/00/134278900.db2.gz XGHGXWWKIQMYIE-UHFFFAOYSA-N 0 0 240.368 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CCCCCC(=O)Oc1cccc2[nH]ccc21 ZINC000174717145 641413865 /nfs/dbraw/zinc/41/38/65/641413865.db2.gz LJXDWSQGBIJJRV-UHFFFAOYSA-N 0 0 231.295 3.654 20 0 BHADRN CC(C)(C)/C=C/C(=O)Oc1cccc2[nH]ccc21 ZINC000174717341 641413832 /nfs/dbraw/zinc/41/38/32/641413832.db2.gz OIOVYZYGHVWKRE-VQHVLOKHSA-N 0 0 243.306 3.676 20 0 BHADRN CC(C)CCC(=O)Oc1cccc2[nH]ccc21 ZINC000174722368 641415459 /nfs/dbraw/zinc/41/54/59/641415459.db2.gz ITIWZKYVKMZIFX-UHFFFAOYSA-N 0 0 231.295 3.510 20 0 BHADRN O=C(Oc1cccc2[nH]ccc21)C1CCCCC1 ZINC000174722597 641423774 /nfs/dbraw/zinc/42/37/74/641423774.db2.gz HWBZKWKWSJTNCV-UHFFFAOYSA-N 0 0 243.306 3.654 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1cccc2[nH]ccc21 ZINC000174722666 641424099 /nfs/dbraw/zinc/42/40/99/641424099.db2.gz LELHJGLPQIEIGH-SNVBAGLBSA-N 0 0 231.295 3.510 20 0 BHADRN CCC[C@H](C)C(=O)Oc1cccc2[nH]ccc21 ZINC000174722678 641424143 /nfs/dbraw/zinc/42/41/43/641424143.db2.gz LELHJGLPQIEIGH-JTQLQIEISA-N 0 0 231.295 3.510 20 0 BHADRN O=C(CC1CCCC1)Oc1cccc2[nH]ccc21 ZINC000174722814 641424179 /nfs/dbraw/zinc/42/41/79/641424179.db2.gz XYEGDXLABVOXRC-UHFFFAOYSA-N 0 0 243.306 3.654 20 0 BHADRN CC(C)(C)CC(=O)Oc1cccc2[nH]ccc21 ZINC000174727642 641427959 /nfs/dbraw/zinc/42/79/59/641427959.db2.gz NXMHVKIGJQZCTM-UHFFFAOYSA-N 0 0 231.295 3.510 20 0 BHADRN CCC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000174808196 365514481 /nfs/dbraw/zinc/51/44/81/365514481.db2.gz MVYFHVVXAGVGID-SNVBAGLBSA-N 0 0 216.284 3.640 20 0 BHADRN CCC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000174808202 365515663 /nfs/dbraw/zinc/51/56/63/365515663.db2.gz MVYFHVVXAGVGID-JTQLQIEISA-N 0 0 216.284 3.640 20 0 BHADRN CCC[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000174812287 169374350 /nfs/dbraw/zinc/37/43/50/169374350.db2.gz BKXRNCIPUZBBEP-SNVBAGLBSA-N 0 0 246.310 3.649 20 0 BHADRN CCC[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000174812294 384842174 /nfs/dbraw/zinc/84/21/74/384842174.db2.gz BKXRNCIPUZBBEP-JTQLQIEISA-N 0 0 246.310 3.649 20 0 BHADRN CCC[C@@H](C)c1nc(-c2cccs2)no1 ZINC000174813763 361989124 /nfs/dbraw/zinc/98/91/24/361989124.db2.gz YYZFELWLZNMJRH-MRVPVSSYSA-N 0 0 222.313 3.702 20 0 BHADRN CCC[C@H](C)c1nc(-c2cccs2)no1 ZINC000174813771 361989225 /nfs/dbraw/zinc/98/92/25/361989225.db2.gz YYZFELWLZNMJRH-QMMMGPOBSA-N 0 0 222.313 3.702 20 0 BHADRN CCC[C@@H](C)c1nc(-c2ccsc2)no1 ZINC000174816993 384366844 /nfs/dbraw/zinc/36/68/44/384366844.db2.gz MQRIUGBAYDTSLO-MRVPVSSYSA-N 0 0 222.313 3.702 20 0 BHADRN CCC[C@H](C)c1nc(-c2ccsc2)no1 ZINC000174817003 384367284 /nfs/dbraw/zinc/36/72/84/384367284.db2.gz MQRIUGBAYDTSLO-QMMMGPOBSA-N 0 0 222.313 3.702 20 0 BHADRN CCC[C@@H](C)c1nc(COc2ccccc2)no1 ZINC000174818043 169375766 /nfs/dbraw/zinc/37/57/66/169375766.db2.gz JGSDAGCKDCDFMZ-LLVKDONJSA-N 0 0 246.310 3.552 20 0 BHADRN CCC[C@H](C)c1nc(COc2ccccc2)no1 ZINC000174818052 384843723 /nfs/dbraw/zinc/84/37/23/384843723.db2.gz JGSDAGCKDCDFMZ-NSHDSACASA-N 0 0 246.310 3.552 20 0 BHADRN CCCc1ccccc1NC(=O)N(C)C1CCC1 ZINC000174819272 384840806 /nfs/dbraw/zinc/84/08/06/384840806.db2.gz ACQAXGFVNHYJGW-UHFFFAOYSA-N 0 0 246.354 3.655 20 0 BHADRN CCCc1ccccc1NC(=O)N1CCC[C@@H]1C ZINC000174819398 384843132 /nfs/dbraw/zinc/84/31/32/384843132.db2.gz QZUPKDNAAQVMGI-LBPRGKRZSA-N 0 0 246.354 3.655 20 0 BHADRN CCCc1ccccc1NC(=O)N1CCC[C@H]1C ZINC000174819409 384843765 /nfs/dbraw/zinc/84/37/65/384843765.db2.gz QZUPKDNAAQVMGI-GFCCVEGCSA-N 0 0 246.354 3.655 20 0 BHADRN CCCc1ccccc1NC(=O)NCCC1CC1 ZINC000174819869 528644741 /nfs/dbraw/zinc/64/47/41/528644741.db2.gz UTBZDBGCGIRYIY-UHFFFAOYSA-N 0 0 246.354 3.561 20 0 BHADRN CCC[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000174820096 361988920 /nfs/dbraw/zinc/98/89/20/361988920.db2.gz RVIGJBGVAYCZKE-LLVKDONJSA-N 0 0 230.311 3.564 20 0 BHADRN CCC[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000174820104 361989373 /nfs/dbraw/zinc/98/93/73/361989373.db2.gz RVIGJBGVAYCZKE-NSHDSACASA-N 0 0 230.311 3.564 20 0 BHADRN CCC[C@@H](C)c1nc(C2CCCC2)no1 ZINC000174826376 535332398 /nfs/dbraw/zinc/33/23/98/535332398.db2.gz QVKVHCBBBORPOD-SECBINFHSA-N 0 0 208.305 3.631 20 0 BHADRN CCC[C@H](C)c1nc(C2CCCC2)no1 ZINC000174826382 134284786 /nfs/dbraw/zinc/28/47/86/134284786.db2.gz QVKVHCBBBORPOD-VIFPVBQESA-N 0 0 208.305 3.631 20 0 BHADRN CCC[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000174828256 365514585 /nfs/dbraw/zinc/51/45/85/365514585.db2.gz FMJFBIGDNLRGEI-SNVBAGLBSA-N 0 0 246.310 3.649 20 0 BHADRN CCC[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000174828267 365514497 /nfs/dbraw/zinc/51/44/97/365514497.db2.gz FMJFBIGDNLRGEI-JTQLQIEISA-N 0 0 246.310 3.649 20 0 BHADRN Clc1ccccc1-c1noc(CC2CCC2)n1 ZINC000174845070 374269759 /nfs/dbraw/zinc/26/97/59/374269759.db2.gz DASAYADAANWDSH-UHFFFAOYSA-N 0 0 248.713 3.733 20 0 BHADRN CCC[C@@H](C)c1nc(CCc2ccccc2)no1 ZINC000174849008 374269341 /nfs/dbraw/zinc/26/93/41/374269341.db2.gz MRHGMPYIQKHBPT-GFCCVEGCSA-N 0 0 244.338 3.758 20 0 BHADRN CCC[C@H](C)c1nc(CCc2ccccc2)no1 ZINC000174849019 374269288 /nfs/dbraw/zinc/26/92/88/374269288.db2.gz MRHGMPYIQKHBPT-LBPRGKRZSA-N 0 0 244.338 3.758 20 0 BHADRN CC/C=C(\C)c1nc(-c2cccc(OC)c2)no1 ZINC000174857245 374269563 /nfs/dbraw/zinc/26/95/63/374269563.db2.gz XYALAROGEQVZPI-UXBLZVDNSA-N 0 0 244.294 3.559 20 0 BHADRN CCC[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174860158 374270489 /nfs/dbraw/zinc/27/04/89/374270489.db2.gz KLYMVLQNHPYZHM-SNVBAGLBSA-N 0 0 246.310 3.649 20 0 BHADRN CCC[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174860169 374269800 /nfs/dbraw/zinc/26/98/00/374269800.db2.gz KLYMVLQNHPYZHM-JTQLQIEISA-N 0 0 246.310 3.649 20 0 BHADRN Cc1cc2cc(C(=O)c3ccc[nH]3)oc2cc1C ZINC000174893387 205563258 /nfs/dbraw/zinc/56/32/58/205563258.db2.gz SNANVGNLDBWDGS-UHFFFAOYSA-N 0 0 239.274 3.609 20 0 BHADRN CCC1(NC(=O)CCCC(C)(C)C)CCC1 ZINC000174909456 527775294 /nfs/dbraw/zinc/77/52/94/527775294.db2.gz UVAYERSAFWEUBI-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CCC1(NC(=O)C[C@@H](C)c2ccccc2)CCC1 ZINC000174911540 384850209 /nfs/dbraw/zinc/85/02/09/384850209.db2.gz IREQVMPXCWIWGK-CYBMUJFWSA-N 0 0 245.366 3.629 20 0 BHADRN CCC1(NC(=O)C[C@H](C)c2ccccc2)CCC1 ZINC000174911558 384849633 /nfs/dbraw/zinc/84/96/33/384849633.db2.gz IREQVMPXCWIWGK-ZDUSSCGKSA-N 0 0 245.366 3.629 20 0 BHADRN CCC(CC)NC(=O)C/C=C/c1ccccc1F ZINC000174918006 528791246 /nfs/dbraw/zinc/79/12/46/528791246.db2.gz BHHCMUBACOBJFZ-VQHVLOKHSA-N 0 0 249.329 3.534 20 0 BHADRN CC1CCN(C(=O)CC2CCCCCC2)CC1 ZINC000174922285 384375627 /nfs/dbraw/zinc/37/56/27/384375627.db2.gz DCNHLOIGCDBLDO-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@@H](CC(=O)NC1(CC)CCC1)C(C)C ZINC000174928717 529450000 /nfs/dbraw/zinc/45/00/00/529450000.db2.gz GRBDGWUOAWECTG-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](CC(=O)NC1(CC)CCC1)C(C)C ZINC000174928739 529304043 /nfs/dbraw/zinc/30/40/43/529304043.db2.gz GRBDGWUOAWECTG-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CC1(C)CCC[C@@H]1NC(=O)CC1=CCCCC1 ZINC000174934474 205561466 /nfs/dbraw/zinc/56/14/66/205561466.db2.gz POEQLDYOFSNODW-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN CC1(C)CCC[C@H]1NC(=O)CC1=CCCCC1 ZINC000174934494 384382482 /nfs/dbraw/zinc/38/24/82/384382482.db2.gz POEQLDYOFSNODW-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C)Nc1ccccc1N1CCCCCC1 ZINC000174939936 365521955 /nfs/dbraw/zinc/52/19/55/365521955.db2.gz DRRIIGOQOXFIMX-UHFFFAOYSA-N 0 0 232.371 3.887 20 0 BHADRN Cc1cccc(NC(=O)CC2=CCCCC2)c1O ZINC000174943998 538948952 /nfs/dbraw/zinc/94/89/52/538948952.db2.gz ASHWHOGNTDPIDC-UHFFFAOYSA-N 0 0 245.322 3.530 20 0 BHADRN Cc1cccc(NC(=O)CCC2CCCC2)c1O ZINC000174947720 538949412 /nfs/dbraw/zinc/94/94/12/538949412.db2.gz GZKRABKPRKJICQ-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CCCC(=O)Nc1cccc(NC(C)C)c1C ZINC000174952200 384853857 /nfs/dbraw/zinc/85/38/57/384853857.db2.gz HYJGPHDSNSTCFY-UHFFFAOYSA-N 0 0 234.343 3.554 20 0 BHADRN CCCCNc1cc(Cl)ccc1NC(C)=O ZINC000174954534 384378559 /nfs/dbraw/zinc/37/85/59/384378559.db2.gz GUNDBIZFEPCALR-UHFFFAOYSA-N 0 0 240.734 3.510 20 0 BHADRN CCCCNc1cc(NC(C)=O)ccc1Cl ZINC000174957461 384377708 /nfs/dbraw/zinc/37/77/08/384377708.db2.gz VEFZRGKGCJVZEZ-UHFFFAOYSA-N 0 0 240.734 3.510 20 0 BHADRN Cc1cccc(NC(=O)C2CCCCCC2)c1O ZINC000174958021 538949012 /nfs/dbraw/zinc/94/90/12/538949012.db2.gz XYGODJMPWSRSTG-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@@H]1CCCC1(C)C ZINC000174968588 384381604 /nfs/dbraw/zinc/38/16/04/384381604.db2.gz YAJHYBIOZVEDQH-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCCC1(C)C ZINC000174968607 384381154 /nfs/dbraw/zinc/38/11/54/384381154.db2.gz YAJHYBIOZVEDQH-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H]1CCCC1(C)C ZINC000174968623 384382057 /nfs/dbraw/zinc/38/20/57/384382057.db2.gz YAJHYBIOZVEDQH-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCCC1(C)C ZINC000174968639 205561788 /nfs/dbraw/zinc/56/17/88/205561788.db2.gz YAJHYBIOZVEDQH-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000174971843 384379939 /nfs/dbraw/zinc/37/99/39/384379939.db2.gz USQVCOQVGDGXOW-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000174971872 205563301 /nfs/dbraw/zinc/56/33/01/205563301.db2.gz USQVCOQVGDGXOW-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCCC(=O)Nc1cccc(C)c1O ZINC000174984458 642649147 /nfs/dbraw/zinc/64/91/47/642649147.db2.gz IDPOOKHFLHCAML-UHFFFAOYSA-N 0 0 235.327 3.610 20 0 BHADRN Cc1cccc(NC(=O)CC2CCCCC2)c1O ZINC000174987042 538949680 /nfs/dbraw/zinc/94/96/80/538949680.db2.gz DYWHJKWFOYNJIX-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CCCC2(C)C)c1C ZINC000174990374 384389105 /nfs/dbraw/zinc/38/91/05/384389105.db2.gz HLLYPMDIXWFCMQ-CQSZACIVSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(C(=O)N[C@H]2CCCC2(C)C)c1C ZINC000174990395 384388036 /nfs/dbraw/zinc/38/80/36/384388036.db2.gz HLLYPMDIXWFCMQ-AWEZNQCLSA-N 0 0 245.366 3.612 20 0 BHADRN CN(Cc1ccco1)C(=O)CC1CCCCCC1 ZINC000175004950 384385930 /nfs/dbraw/zinc/38/59/30/384385930.db2.gz DSXDZAYVZUJZNL-UHFFFAOYSA-N 0 0 249.354 3.599 20 0 BHADRN Cc1[nH]ccc1C(=O)Nc1cccc(C(C)C)c1 ZINC000175019572 384859228 /nfs/dbraw/zinc/85/92/28/384859228.db2.gz UVKXSWAGUOUHEI-UHFFFAOYSA-N 0 0 242.322 3.699 20 0 BHADRN CCCc1ccc(NC(=O)c2cc[nH]c2C)cc1 ZINC000175019957 642648119 /nfs/dbraw/zinc/64/81/19/642648119.db2.gz FMQDQIBIAPRMPC-UHFFFAOYSA-N 0 0 242.322 3.528 20 0 BHADRN Cc1cccc(C)c1OC(=O)CCC(F)(F)F ZINC000175031964 179045514 /nfs/dbraw/zinc/04/55/14/179045514.db2.gz OXDZYQIWRWFPQF-UHFFFAOYSA-N 0 0 246.228 3.551 20 0 BHADRN Cc1cccc(C)c1NC(=O)CCC(F)(F)F ZINC000175043501 384863276 /nfs/dbraw/zinc/86/32/76/384863276.db2.gz MVGFPBFMCMUETF-UHFFFAOYSA-N 0 0 245.244 3.584 20 0 BHADRN Cc1cccc([C@@H](C)N(C)Cc2nccs2)c1 ZINC000175047702 179178976 /nfs/dbraw/zinc/17/89/76/179178976.db2.gz MLRBJZNHWRTTML-GFCCVEGCSA-N 0 0 246.379 3.645 20 0 BHADRN Cc1ccc(C)c(NC(=O)N2CC[C@H](C)[C@@H]2C)c1 ZINC000175048047 134284240 /nfs/dbraw/zinc/28/42/40/134284240.db2.gz JAPLFQZBSYPPGB-AAEUAGOBSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(C)c(NC(=O)N2CC[C@@H](C)[C@@H]2C)c1 ZINC000175048065 134284213 /nfs/dbraw/zinc/28/42/13/134284213.db2.gz JAPLFQZBSYPPGB-YPMHNXCESA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(C)c(NC(=O)N2CC[C@H](C)[C@H]2C)c1 ZINC000175048080 134284556 /nfs/dbraw/zinc/28/45/56/134284556.db2.gz JAPLFQZBSYPPGB-WCQYABFASA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(C)c(NC(=O)N2CC[C@@H](C)[C@H]2C)c1 ZINC000175048101 134284553 /nfs/dbraw/zinc/28/45/53/134284553.db2.gz JAPLFQZBSYPPGB-DGCLKSJQSA-N 0 0 246.354 3.566 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)Nc1ccccc1C ZINC000175051763 170701107 /nfs/dbraw/zinc/70/11/07/170701107.db2.gz QPVZJDJCWULDTG-GFCCVEGCSA-N 0 0 248.370 3.895 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)Nc1ccccc1C ZINC000175051776 171276909 /nfs/dbraw/zinc/27/69/09/171276909.db2.gz QPVZJDJCWULDTG-LBPRGKRZSA-N 0 0 248.370 3.895 20 0 BHADRN Cc1cccc(NC(=O)N2CC[C@H](C)[C@@H]2C)c1C ZINC000175053707 179132490 /nfs/dbraw/zinc/13/24/90/179132490.db2.gz NHOYGCIVJWOWLC-AAEUAGOBSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1cccc(NC(=O)N2CC[C@@H](C)[C@@H]2C)c1C ZINC000175053723 179132757 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388435481 /nfs/dbraw/zinc/43/54/81/388435481.db2.gz AHNSWARMVGYBGP-DGCLKSJQSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H]2C)cc1C ZINC000175054682 384862751 /nfs/dbraw/zinc/86/27/51/384862751.db2.gz YEULWZWEJBYUKH-AAEUAGOBSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H]2C)cc1C ZINC000175054699 384863796 /nfs/dbraw/zinc/86/37/96/384863796.db2.gz YEULWZWEJBYUKH-YPMHNXCESA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@H](C)[C@H]2C)cc1C ZINC000175054715 384862246 /nfs/dbraw/zinc/86/22/46/384862246.db2.gz YEULWZWEJBYUKH-WCQYABFASA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H]2C)cc1C ZINC000175054730 384863745 /nfs/dbraw/zinc/86/37/45/384863745.db2.gz YEULWZWEJBYUKH-DGCLKSJQSA-N 0 0 246.354 3.566 20 0 BHADRN CN(CCC1CCCCC1)Cc1nccs1 ZINC000175064988 536322863 /nfs/dbraw/zinc/32/28/63/536322863.db2.gz ARSIXOPGRRKJIN-UHFFFAOYSA-N 0 0 238.400 3.545 20 0 BHADRN O=C(CC1CCC1)Oc1ccc(Cl)cc1F ZINC000175070014 642650363 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Cc1cc(C)c(C(=O)Nc2c(C)cccc2C)o1 ZINC000175254452 384884866 /nfs/dbraw/zinc/88/48/66/384884866.db2.gz KYGYFYRUEUXDJH-UHFFFAOYSA-N 0 0 243.306 3.766 20 0 BHADRN Cc1cscc1C(=O)Nc1c(C)cccc1C ZINC000175254568 365540407 /nfs/dbraw/zinc/54/04/07/365540407.db2.gz PVEQJRDJNOYAAJ-UHFFFAOYSA-N 0 0 245.347 3.926 20 0 BHADRN Cc1cccc(C)c1NC(=O)CCC1CCC1 ZINC000175254618 388427339 /nfs/dbraw/zinc/42/73/39/388427339.db2.gz YHMRFDWZGSXGGP-UHFFFAOYSA-N 0 0 231.339 3.822 20 0 BHADRN CCOc1ccccc1OC(=O)CCC1CCC1 ZINC000175256411 643069738 /nfs/dbraw/zinc/06/97/38/643069738.db2.gz JSJCBDMTYBCJDI-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN CCCn1ccc2ccc(NC(=O)C(C)C)cc21 ZINC000175256555 384886109 /nfs/dbraw/zinc/88/61/09/384886109.db2.gz GHWBPZNLFUXKNC-UHFFFAOYSA-N 0 0 244.338 3.646 20 0 BHADRN CN(C(=O)CC1CCCCCC1)C1CCCC1 ZINC000175269438 229411282 /nfs/dbraw/zinc/41/12/82/229411282.db2.gz PZQIKKMQBFXEBX-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CCc1ccccc1NC(=O)c1oc(C)cc1C ZINC000175276149 384885501 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248.370 3.895 20 0 BHADRN CCN(C(=O)c1oc(C)cc1C)c1ccccc1 ZINC000175370243 384902721 /nfs/dbraw/zinc/90/27/21/384902721.db2.gz IFCFAHPQRZNPSH-UHFFFAOYSA-N 0 0 243.306 3.563 20 0 BHADRN CCN(C(=O)c1cscc1C)c1ccccc1 ZINC000175370348 384901755 /nfs/dbraw/zinc/90/17/55/384901755.db2.gz DAPQIIMRUFCIBI-UHFFFAOYSA-N 0 0 245.347 3.723 20 0 BHADRN CCN(C(=O)CCC1CCC1)c1ccccc1 ZINC000175370398 384902448 /nfs/dbraw/zinc/90/24/48/384902448.db2.gz RKYBNGBVZJBWBZ-UHFFFAOYSA-N 0 0 231.339 3.620 20 0 BHADRN C[C@@H](c1ccccc1)N(C)C(=O)CCC1CCC1 ZINC000175376263 176018807 /nfs/dbraw/zinc/01/88/07/176018807.db2.gz RRPHIXXOMREUGV-ZDUSSCGKSA-N 0 0 245.366 3.786 20 0 BHADRN C[C@H](c1ccccc1)N(C)C(=O)CCC1CCC1 ZINC000175376282 177037463 /nfs/dbraw/zinc/03/74/63/177037463.db2.gz RRPHIXXOMREUGV-CYBMUJFWSA-N 0 0 245.366 3.786 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)C2CCC(C)CC2)o1 ZINC000175382153 384902392 /nfs/dbraw/zinc/90/23/92/384902392.db2.gz IIBLDISTRUDGCE-UHFFFAOYSA-N 0 0 249.354 3.547 20 0 BHADRN CC1CCC(N(C)C(=O)CCC2CCC2)CC1 ZINC000175382306 134285600 /nfs/dbraw/zinc/28/56/00/134285600.db2.gz MXOYMPOVZQZVQK-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)[C@@H](C)C(=O)N(CC1CC1)c1ccccc1 ZINC000175382579 323075630 /nfs/dbraw/zinc/07/56/30/323075630.db2.gz RFOTYNVHQOUWSK-CYBMUJFWSA-N 0 0 245.366 3.722 20 0 BHADRN CC(C)[C@H](C)C(=O)N(CC1CC1)c1ccccc1 ZINC000175382591 323075642 /nfs/dbraw/zinc/07/56/42/323075642.db2.gz RFOTYNVHQOUWSK-ZDUSSCGKSA-N 0 0 245.366 3.722 20 0 BHADRN CCN(C(=O)CCC1CCC1)c1ccc(F)cc1 ZINC000175385170 134285650 /nfs/dbraw/zinc/28/56/50/134285650.db2.gz AFVHDQNQJBFUIQ-UHFFFAOYSA-N 0 0 249.329 3.759 20 0 BHADRN O=C(C1CCCC1)N(CC1CC1)c1ccccc1 ZINC000175387796 323075671 /nfs/dbraw/zinc/07/56/71/323075671.db2.gz DJLIVOLVIMOQRW-UHFFFAOYSA-N 0 0 243.350 3.620 20 0 BHADRN CCCC(=O)N(CC1CCC1)c1ccccc1 ZINC000175392682 384433834 /nfs/dbraw/zinc/43/38/34/384433834.db2.gz BXCUVXTYWUMKLX-UHFFFAOYSA-N 0 0 231.339 3.620 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1CCCC(C)(C)C1 ZINC000175406834 527673148 /nfs/dbraw/zinc/67/31/48/527673148.db2.gz NHAWZZGUXIETAW-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)c1ccccc1 ZINC000175408680 642680932 /nfs/dbraw/zinc/68/09/32/642680932.db2.gz RBOQKFPNBWKZQW-VXGBXAGGSA-N 0 0 249.354 3.703 20 0 BHADRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)c1ccccc1 ZINC000175408697 642681303 /nfs/dbraw/zinc/68/13/03/642681303.db2.gz RBOQKFPNBWKZQW-NWDGAFQWSA-N 0 0 249.354 3.703 20 0 BHADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)c1ccccc1 ZINC000175408715 642679582 /nfs/dbraw/zinc/67/95/82/642679582.db2.gz RBOQKFPNBWKZQW-NEPJUHHUSA-N 0 0 249.354 3.703 20 0 BHADRN C[C@H](c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000175408732 642680574 /nfs/dbraw/zinc/68/05/74/642680574.db2.gz RBOQKFPNBWKZQW-RYUDHWBXSA-N 0 0 249.354 3.703 20 0 BHADRN CSc1ccc(NC(=O)CCC2CCC2)cc1 ZINC000175409560 134285781 /nfs/dbraw/zinc/28/57/81/134285781.db2.gz GJKUKJDPZLNMKP-UHFFFAOYSA-N 0 0 249.379 3.927 20 0 BHADRN CCCc1ccccc1NC(=O)c1cc[nH]c1C ZINC000175435336 384910341 /nfs/dbraw/zinc/91/03/41/384910341.db2.gz JANNBCCYJINCLO-UHFFFAOYSA-N 0 0 242.322 3.528 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)C2CCCCCC2)o1 ZINC000175435374 177838913 /nfs/dbraw/zinc/83/89/13/177838913.db2.gz UXTVKRJNASGMIH-UHFFFAOYSA-N 0 0 249.354 3.691 20 0 BHADRN CN(C(=O)CCC1CCC1)C1CCCCCC1 ZINC000175435506 388431775 /nfs/dbraw/zinc/43/17/75/388431775.db2.gz AAECOWVPFCVSQO-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CCCC[C@H](CC)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000175441070 388431907 /nfs/dbraw/zinc/43/19/07/388431907.db2.gz WNGLKESDEGZHMC-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](CC)C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000175441112 388431458 /nfs/dbraw/zinc/43/14/58/388431458.db2.gz WNGLKESDEGZHMC-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCN(C(=O)c1oc(C)cc1C)C1CCCCC1 ZINC000175450197 169663133 /nfs/dbraw/zinc/66/31/33/169663133.db2.gz REIBIUJCDMQRRW-UHFFFAOYSA-N 0 0 249.354 3.691 20 0 BHADRN CCN(C(=O)CCC1CCC1)C1CCCCC1 ZINC000175450359 528938186 /nfs/dbraw/zinc/93/81/86/528938186.db2.gz YZRXZFFCYXUZOR-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCCC(C)(C)C(=O)N1CCC(C)(C)C1 ZINC000175450665 642685182 /nfs/dbraw/zinc/68/51/82/642685182.db2.gz PFNQVIFAUQUVTB-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCN(C(=O)CCC1CCC1)c1ccccc1C ZINC000175476336 134287198 /nfs/dbraw/zinc/28/71/98/134287198.db2.gz IYVHOXUOXNZYLW-UHFFFAOYSA-N 0 0 245.366 3.928 20 0 BHADRN Cc1cc(C)c(C(=O)N(C(C)C)C2CCCC2)o1 ZINC000175483911 384917366 /nfs/dbraw/zinc/91/73/66/384917366.db2.gz ZIRQNUBMJOLVNE-UHFFFAOYSA-N 0 0 249.354 3.690 20 0 BHADRN CC(C)N(C(=O)CCC1CCC1)C1CCCC1 ZINC000175484044 388432876 /nfs/dbraw/zinc/43/28/76/388432876.db2.gz BBTHIYLOTANSBK-UHFFFAOYSA-N 0 0 237.387 3.746 20 0 BHADRN Cc1cc(C)c(C(=O)NCCCC2CCCC2)o1 ZINC000175486708 134287174 /nfs/dbraw/zinc/28/71/74/134287174.db2.gz LHDUKLNHOKHCOE-UHFFFAOYSA-N 0 0 249.354 3.597 20 0 BHADRN Cc1cscc1C(=O)N(C1CC1)C1CCCC1 ZINC000175490692 365558132 /nfs/dbraw/zinc/55/81/32/365558132.db2.gz HWUVFTDEGHUJSU-UHFFFAOYSA-N 0 0 249.379 3.604 20 0 BHADRN O=C(CCC1CCC1)N(C1CC1)C1CCCC1 ZINC000175490732 365558624 /nfs/dbraw/zinc/55/86/24/365558624.db2.gz MHPYBGWZMYANNW-UHFFFAOYSA-N 0 0 235.371 3.500 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)o1 ZINC000175493564 177841973 /nfs/dbraw/zinc/84/19/73/177841973.db2.gz UTTZCIUOHXTVAL-GXFFZTMASA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)o1 ZINC000175493579 177840445 /nfs/dbraw/zinc/84/04/45/177840445.db2.gz UTTZCIUOHXTVAL-GWCFXTLKSA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2C)o1 ZINC000175493598 384916749 /nfs/dbraw/zinc/91/67/49/384916749.db2.gz UTTZCIUOHXTVAL-ZWNOBZJWSA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2C)o1 ZINC000175493611 177841902 /nfs/dbraw/zinc/84/19/02/177841902.db2.gz UTTZCIUOHXTVAL-MFKMUULPSA-N 0 0 249.354 3.547 20 0 BHADRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCC1CCC1 ZINC000175493963 134287368 /nfs/dbraw/zinc/28/73/68/134287368.db2.gz DOTMHWRMTHBWOI-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@@H]1N(C)C(=O)CCC1CCC1 ZINC000175493975 134287059 /nfs/dbraw/zinc/28/70/59/134287059.db2.gz DOTMHWRMTHBWOI-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1N(C)C(=O)CCC1CCC1 ZINC000175493996 134287157 /nfs/dbraw/zinc/28/71/57/134287157.db2.gz DOTMHWRMTHBWOI-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@H]1N(C)C(=O)CCC1CCC1 ZINC000175494013 134287374 /nfs/dbraw/zinc/28/73/74/134287374.db2.gz DOTMHWRMTHBWOI-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)CCC2CCC2)cc1 ZINC000175497094 134287473 /nfs/dbraw/zinc/28/74/73/134287473.db2.gz PVTRXRGJCSSKRO-CYBMUJFWSA-N 0 0 245.366 3.753 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)CCC2CCC2)cc1 ZINC000175497111 134287602 /nfs/dbraw/zinc/28/76/02/134287602.db2.gz PVTRXRGJCSSKRO-ZDUSSCGKSA-N 0 0 245.366 3.753 20 0 BHADRN C/C=C(\C)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000175497292 642688030 /nfs/dbraw/zinc/68/80/30/642688030.db2.gz YEDJNQNFNQPIEA-WUXMJOGZSA-N 0 0 245.366 3.567 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)o1 ZINC000175503035 384915912 /nfs/dbraw/zinc/91/59/12/384915912.db2.gz AFSFIRAUSCMXSC-GXFFZTMASA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)[C@H]2CCC[C@H](C)C2)o1 ZINC000175503049 384916175 /nfs/dbraw/zinc/91/61/75/384916175.db2.gz AFSFIRAUSCMXSC-GWCFXTLKSA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000175503068 177841953 /nfs/dbraw/zinc/84/19/53/177841953.db2.gz AFSFIRAUSCMXSC-ZWNOBZJWSA-N 0 0 249.354 3.547 20 0 BHADRN Cc1cc(C)c(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)o1 ZINC000175503084 384917430 /nfs/dbraw/zinc/91/74/30/384917430.db2.gz AFSFIRAUSCMXSC-MFKMUULPSA-N 0 0 249.354 3.547 20 0 BHADRN C[C@@H]1CCC[C@H](N(C)C(=O)CCC2CCC2)C1 ZINC000175503399 134287480 /nfs/dbraw/zinc/28/74/80/134287480.db2.gz CPXMEUDDWPSSEU-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@H](N(C)C(=O)CCC2CCC2)C1 ZINC000175503415 134287678 /nfs/dbraw/zinc/28/76/78/134287678.db2.gz CPXMEUDDWPSSEU-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](N(C)C(=O)CCC2CCC2)C1 ZINC000175503431 134287478 /nfs/dbraw/zinc/28/74/78/134287478.db2.gz CPXMEUDDWPSSEU-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@@H](N(C)C(=O)CCC2CCC2)C1 ZINC000175503447 134287448 /nfs/dbraw/zinc/28/74/48/134287448.db2.gz CPXMEUDDWPSSEU-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CO[C@@H](C)c1nc(-c2ccc(F)cc2)cs1 ZINC000175503866 365559642 /nfs/dbraw/zinc/55/96/42/365559642.db2.gz MONVNPPFGJDHLS-QMMMGPOBSA-N 0 0 237.299 3.657 20 0 BHADRN CO[C@H](C)c1nc(-c2ccc(F)cc2)cs1 ZINC000175503884 365559992 /nfs/dbraw/zinc/55/99/92/365559992.db2.gz MONVNPPFGJDHLS-MRVPVSSYSA-N 0 0 237.299 3.657 20 0 BHADRN CO[C@H](C)c1nc(-c2ccccc2)c(C)s1 ZINC000175503960 365559402 /nfs/dbraw/zinc/55/94/02/365559402.db2.gz IBRVZOVUQGFAEV-SECBINFHSA-N 0 0 233.336 3.826 20 0 BHADRN CO[C@@H](C)c1nc(-c2ccccc2)c(C)s1 ZINC000175503979 365559633 /nfs/dbraw/zinc/55/96/33/365559633.db2.gz IBRVZOVUQGFAEV-VIFPVBQESA-N 0 0 233.336 3.826 20 0 BHADRN CO[C@H](C)c1nc(-c2ccccc2C)cs1 ZINC000175504784 642688694 /nfs/dbraw/zinc/68/86/94/642688694.db2.gz PPIZTSPPVVCYFZ-SNVBAGLBSA-N 0 0 233.336 3.826 20 0 BHADRN CO[C@@H](C)c1nc(-c2ccccc2C)cs1 ZINC000175504801 642688627 /nfs/dbraw/zinc/68/86/27/642688627.db2.gz PPIZTSPPVVCYFZ-JTQLQIEISA-N 0 0 233.336 3.826 20 0 BHADRN CO[C@H](C)c1nc(-c2ccc(C)s2)cs1 ZINC000175505665 384443623 /nfs/dbraw/zinc/44/36/23/384443623.db2.gz FJAGPYQDAPRREW-MRVPVSSYSA-N 0 0 239.365 3.887 20 0 BHADRN CO[C@@H](C)c1nc(-c2ccc(C)s2)cs1 ZINC000175505682 384443061 /nfs/dbraw/zinc/44/30/61/384443061.db2.gz FJAGPYQDAPRREW-QMMMGPOBSA-N 0 0 239.365 3.887 20 0 BHADRN COc1ccccc1-c1csc([C@H](C)OC)n1 ZINC000175506600 205572656 /nfs/dbraw/zinc/57/26/56/205572656.db2.gz DZWJTZVQAFRPBH-VIFPVBQESA-N 0 0 249.335 3.526 20 0 BHADRN COc1ccccc1-c1csc([C@@H](C)OC)n1 ZINC000175506619 384443527 /nfs/dbraw/zinc/44/35/27/384443527.db2.gz DZWJTZVQAFRPBH-SECBINFHSA-N 0 0 249.335 3.526 20 0 BHADRN CO[C@@H](C)c1nc(C2CCCCC2)cs1 ZINC000175507177 365560254 /nfs/dbraw/zinc/56/02/54/365560254.db2.gz LVNATZDUAXFNER-VIFPVBQESA-N 0 0 225.357 3.898 20 0 BHADRN CO[C@H](C)c1nc(C2CCCCC2)cs1 ZINC000175507199 365559680 /nfs/dbraw/zinc/55/96/80/365559680.db2.gz LVNATZDUAXFNER-SECBINFHSA-N 0 0 225.357 3.898 20 0 BHADRN CCN(C(=O)CCC1CCC1)c1cccc(F)c1 ZINC000175509083 134287554 /nfs/dbraw/zinc/28/75/54/134287554.db2.gz HGOAMGOUQKURBD-UHFFFAOYSA-N 0 0 249.329 3.759 20 0 BHADRN CCCCC[C@@H](C)NC(=O)N(C(C)C)C1CC1 ZINC000175519720 642691479 /nfs/dbraw/zinc/69/14/79/642691479.db2.gz HANJHTKTWRDQOR-GFCCVEGCSA-N 0 0 240.391 3.538 20 0 BHADRN CCCCC[C@H](C)NC(=O)N(C(C)C)C1CC1 ZINC000175519735 642692555 /nfs/dbraw/zinc/69/25/55/642692555.db2.gz HANJHTKTWRDQOR-LBPRGKRZSA-N 0 0 240.391 3.538 20 0 BHADRN Cc1ccc(NC(=O)C(C)(C)CC(C)C)c(O)c1 ZINC000175521528 365560275 /nfs/dbraw/zinc/56/02/75/365560275.db2.gz OJBFNNZGJLIGED-UHFFFAOYSA-N 0 0 249.354 3.711 20 0 BHADRN Cc1cscc1C(=O)N(CC(C)C)C(C)C ZINC000175525610 384921122 /nfs/dbraw/zinc/92/11/22/384921122.db2.gz IWVAEEUEERAWGY-UHFFFAOYSA-N 0 0 239.384 3.563 20 0 BHADRN Cc1cc(C)c(C(=O)N([C@@H](C)C(C)C)C2CC2)o1 ZINC000175537876 538117172 /nfs/dbraw/zinc/11/71/72/538117172.db2.gz YZTXIVZWQJXUQB-LBPRGKRZSA-N 0 0 249.354 3.546 20 0 BHADRN Cc1cc(C)c(C(=O)N([C@H](C)C(C)C)C2CC2)o1 ZINC000175537893 538117207 /nfs/dbraw/zinc/11/72/07/538117207.db2.gz YZTXIVZWQJXUQB-GFCCVEGCSA-N 0 0 249.354 3.546 20 0 BHADRN CC(C)[C@@H](C)N(C(=O)CCC1CCC1)C1CC1 ZINC000175538134 134287696 /nfs/dbraw/zinc/28/76/96/134287696.db2.gz WAFDQCKHXRCANV-GFCCVEGCSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)[C@H](C)N(C(=O)CCC1CCC1)C1CC1 ZINC000175538150 134287703 /nfs/dbraw/zinc/28/77/03/134287703.db2.gz WAFDQCKHXRCANV-LBPRGKRZSA-N 0 0 237.387 3.602 20 0 BHADRN Cc1cccnc1NC(=O)CC1CCCCCC1 ZINC000175562247 397773622 /nfs/dbraw/zinc/77/36/22/397773622.db2.gz NVDWJMBCVXEFPT-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN C[C@H](N(C)C(=O)CCC1CCCC1)C1(C)CC1 ZINC000175565456 384453106 /nfs/dbraw/zinc/45/31/06/384453106.db2.gz OJLFFZDOOYFDHI-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](N(C)C(=O)CCC1CCCC1)C1(C)CC1 ZINC000175565475 384453412 /nfs/dbraw/zinc/45/34/12/384453412.db2.gz OJLFFZDOOYFDHI-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H](N(C)C(=O)CC1CCCCC1)C1(C)CC1 ZINC000175566303 384453449 /nfs/dbraw/zinc/45/34/49/384453449.db2.gz QNHNLCCROSDCHO-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](N(C)C(=O)CC1CCCCC1)C1(C)CC1 ZINC000175566322 384453119 /nfs/dbraw/zinc/45/31/19/384453119.db2.gz QNHNLCCROSDCHO-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc1 ZINC000175575898 384927019 /nfs/dbraw/zinc/92/70/19/384927019.db2.gz GGBKPKXALBYZIP-LBPRGKRZSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)cc1 ZINC000175575915 171784455 /nfs/dbraw/zinc/78/44/55/171784455.db2.gz GGBKPKXALBYZIP-GFCCVEGCSA-N 0 0 245.366 3.510 20 0 BHADRN Cc1ccc(C)c(C(=O)N(C)[C@@H](C)C2(C)CC2)c1 ZINC000175586523 384458257 /nfs/dbraw/zinc/45/82/57/384458257.db2.gz IXDXRXSBBJMGLS-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1ccc(C)c(C(=O)N(C)[C@H](C)C2(C)CC2)c1 ZINC000175586540 384457944 /nfs/dbraw/zinc/45/79/44/384457944.db2.gz IXDXRXSBBJMGLS-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c(C)c1 ZINC000175586753 178380009 /nfs/dbraw/zinc/38/00/09/178380009.db2.gz FZQHSDLSFRCKRL-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)c(C)c1 ZINC000175586773 178381592 /nfs/dbraw/zinc/38/15/92/178381592.db2.gz FZQHSDLSFRCKRL-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN C[C@@H]1CN(C(=O)CCC2CCC2)c2ccccc21 ZINC000175587692 134287875 /nfs/dbraw/zinc/28/78/75/134287875.db2.gz CEIVLBDYCJYIGH-GFCCVEGCSA-N 0 0 243.350 3.717 20 0 BHADRN C[C@H]1CN(C(=O)CCC2CCC2)c2ccccc21 ZINC000175587713 134288125 /nfs/dbraw/zinc/28/81/25/134288125.db2.gz CEIVLBDYCJYIGH-LBPRGKRZSA-N 0 0 243.350 3.717 20 0 BHADRN CCCCCCC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000175591302 642702682 /nfs/dbraw/zinc/70/26/82/642702682.db2.gz WALQWVXJLGGTQP-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCCC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000175591322 642701895 /nfs/dbraw/zinc/70/18/95/642701895.db2.gz WALQWVXJLGGTQP-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN C[C@H](N(C)C(=O)CCCC(C)(C)C)C1(C)CC1 ZINC000175594668 205574758 /nfs/dbraw/zinc/57/47/58/205574758.db2.gz QIDHFGUUDRSXGW-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](N(C)C(=O)CCCC(C)(C)C)C1(C)CC1 ZINC000175594684 384461379 /nfs/dbraw/zinc/46/13/79/384461379.db2.gz QIDHFGUUDRSXGW-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(C)(C)NC(=O)Nc1cc(C)ccc1C ZINC000175604188 168293615 /nfs/dbraw/zinc/29/36/15/168293615.db2.gz RUBNXMTXBCMNOJ-UHFFFAOYSA-N 0 0 234.343 3.614 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000175605566 384464143 /nfs/dbraw/zinc/46/41/43/384464143.db2.gz CNLDEIQGMZFPOL-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)CC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000175605580 384464126 /nfs/dbraw/zinc/46/41/26/384464126.db2.gz CNLDEIQGMZFPOL-STQMWFEESA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000175605597 384464134 /nfs/dbraw/zinc/46/41/34/384464134.db2.gz CNLDEIQGMZFPOL-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)CC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000175605613 384463505 /nfs/dbraw/zinc/46/35/05/384463505.db2.gz CNLDEIQGMZFPOL-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN Cc1cccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c1C ZINC000175608748 179005691 /nfs/dbraw/zinc/00/56/91/179005691.db2.gz KYGGINVFKLERGO-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C(=O)N(C)[C@H](C)C2(C)CC2)c1C ZINC000175608764 179005101 /nfs/dbraw/zinc/00/51/01/179005101.db2.gz KYGGINVFKLERGO-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN CCC(C)(C)NC(=O)Nc1cccc(C)c1C ZINC000175609431 168294039 /nfs/dbraw/zinc/29/40/39/168294039.db2.gz LMDZNXSLYKPGSP-UHFFFAOYSA-N 0 0 234.343 3.614 20 0 BHADRN CCC(C)(C)NC(=O)Nc1ccc(C)cc1C ZINC000175610020 168294003 /nfs/dbraw/zinc/29/40/03/168294003.db2.gz XQFWRXNIYSJHFN-UHFFFAOYSA-N 0 0 234.343 3.614 20 0 BHADRN CCC(C)(C)NC(=O)Nc1c(C)cc(C)cc1C ZINC000175613216 168294431 /nfs/dbraw/zinc/29/44/31/168294431.db2.gz RMJJFNASMJLMMG-UHFFFAOYSA-N 0 0 248.370 3.922 20 0 BHADRN CCc1cccc(C)c1NC(=O)NC(C)(C)CC ZINC000175615662 384463297 /nfs/dbraw/zinc/46/32/97/384463297.db2.gz PRAISAAYJCCTJX-UHFFFAOYSA-N 0 0 248.370 3.868 20 0 BHADRN C[C@H](N(C)C(=O)CC1=CCCCC1)C1(C)CC1 ZINC000175616576 205575135 /nfs/dbraw/zinc/57/51/35/205575135.db2.gz WXBYDMOFPHGTAQ-LBPRGKRZSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H](N(C)C(=O)CC1=CCCCC1)C1(C)CC1 ZINC000175616592 205574976 /nfs/dbraw/zinc/57/49/76/205574976.db2.gz WXBYDMOFPHGTAQ-GFCCVEGCSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@@H](CC(=O)N(C)[C@@H](C)C1(C)CC1)C(C)C ZINC000175627881 384937801 /nfs/dbraw/zinc/93/78/01/384937801.db2.gz CSASLGAXIWRTCT-STQMWFEESA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(=O)N(C)[C@@H](C)C1(C)CC1)C(C)C ZINC000175627896 384936097 /nfs/dbraw/zinc/93/60/97/384936097.db2.gz CSASLGAXIWRTCT-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H](CC(=O)N(C)[C@H](C)C1(C)CC1)C(C)C ZINC000175627908 384460362 /nfs/dbraw/zinc/46/03/62/384460362.db2.gz CSASLGAXIWRTCT-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(=O)N(C)[C@H](C)C1(C)CC1)C(C)C ZINC000175627926 384461789 /nfs/dbraw/zinc/46/17/89/384461789.db2.gz CSASLGAXIWRTCT-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc1C ZINC000175630759 178379687 /nfs/dbraw/zinc/37/96/87/178379687.db2.gz GNPBHHNJYCLALI-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)cc1C ZINC000175630772 178381249 /nfs/dbraw/zinc/38/12/49/178381249.db2.gz GNPBHHNJYCLALI-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN C[C@H](N(C)C(=O)C1CCCCCC1)C1(C)CC1 ZINC000175638042 384473267 /nfs/dbraw/zinc/47/32/67/384473267.db2.gz IMTYOPSWWNFANL-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](N(C)C(=O)C1CCCCCC1)C1(C)CC1 ZINC000175638062 384473807 /nfs/dbraw/zinc/47/38/07/384473807.db2.gz IMTYOPSWWNFANL-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCc1cccc(NC(=O)NC(C)(C)CC)c1 ZINC000175640901 388435406 /nfs/dbraw/zinc/43/54/06/388435406.db2.gz GYDSSWBWHSDRNH-UHFFFAOYSA-N 0 0 234.343 3.559 20 0 BHADRN Cc1cc(C)cc(C(=O)N(C)[C@@H](C)C2(C)CC2)c1 ZINC000175641268 384935296 /nfs/dbraw/zinc/93/52/96/384935296.db2.gz GKXXLTZTKMETBL-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cc(C)cc(C(=O)N(C)[C@H](C)C2(C)CC2)c1 ZINC000175641287 384937198 /nfs/dbraw/zinc/93/71/98/384937198.db2.gz GKXXLTZTKMETBL-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN CCC(C)(C)NC(=O)Nc1c(C)cccc1C ZINC000175645104 168293543 /nfs/dbraw/zinc/29/35/43/168293543.db2.gz FQUHRAXRTDJIJV-UHFFFAOYSA-N 0 0 234.343 3.614 20 0 BHADRN CCOc1cccc(NC(=O)CCC2CCC2)c1 ZINC000175656101 535468779 /nfs/dbraw/zinc/46/87/79/535468779.db2.gz JSNYVLMFYKHCJX-UHFFFAOYSA-N 0 0 247.338 3.604 20 0 BHADRN COc1cc(C)ccc1NC(=O)CCC1CCC1 ZINC000175660847 536658570 /nfs/dbraw/zinc/65/85/70/536658570.db2.gz FFDCTDSXVNUYGU-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN Cc1ccc(N(C)C(=O)CCC2CCC2)c(C)c1 ZINC000175664189 642710751 /nfs/dbraw/zinc/71/07/51/642710751.db2.gz ROHQVLNXMWIWBY-UHFFFAOYSA-N 0 0 245.366 3.847 20 0 BHADRN CCCCCNC(=O)C/C=C/c1cccc(F)c1 ZINC000175670830 388436816 /nfs/dbraw/zinc/43/68/16/388436816.db2.gz FGNOXKFRDDOHFU-SOFGYWHQSA-N 0 0 249.329 3.535 20 0 BHADRN CCCc1ccccc1NC(=O)NC(C)(C)CC ZINC000175692092 388437667 /nfs/dbraw/zinc/43/76/67/388437667.db2.gz RRBRPOMPCOPBTI-UHFFFAOYSA-N 0 0 248.370 3.949 20 0 BHADRN CC(C)OCc1ccc(NCc2cc[nH]c2)cc1 ZINC000175701301 167272452 /nfs/dbraw/zinc/27/24/52/167272452.db2.gz VMMMJTAQLMHCNV-UHFFFAOYSA-N 0 0 244.338 3.552 20 0 BHADRN CC(C)OCc1cccc(NCc2cc[nH]c2)c1 ZINC000175701669 134286671 /nfs/dbraw/zinc/28/66/71/134286671.db2.gz SNDIJXCQBPICEG-UHFFFAOYSA-N 0 0 244.338 3.552 20 0 BHADRN CCC(CC)NC(=O)C/C=C/c1cccc(F)c1 ZINC000175706021 388438855 /nfs/dbraw/zinc/43/88/55/388438855.db2.gz GYNKAMJUVWBIPX-SOFGYWHQSA-N 0 0 249.329 3.534 20 0 BHADRN CCN(C(=O)CC1CCCCCC1)C(C)C ZINC000175715585 384476194 /nfs/dbraw/zinc/47/61/94/384476194.db2.gz ICYMHQBMEMYIIQ-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1[nH]ccc1C(=O)Nc1c(C)cc(C)cc1C ZINC000175728414 384951355 /nfs/dbraw/zinc/95/13/55/384951355.db2.gz SITNPYMORBXDTH-UHFFFAOYSA-N 0 0 242.322 3.501 20 0 BHADRN Cc1ccccc1CCCSc1ncccn1 ZINC000175739142 384479516 /nfs/dbraw/zinc/47/95/16/384479516.db2.gz AAMFTFWXDGCKEE-UHFFFAOYSA-N 0 0 244.363 3.510 20 0 BHADRN Cc1cc(CN(C#N)c2ccccc2)c(C)s1 ZINC000175749172 388439572 /nfs/dbraw/zinc/43/95/72/388439572.db2.gz ZRQQGNHKMKWKBV-UHFFFAOYSA-N 0 0 242.347 3.853 20 0 BHADRN Cc1ccc(NC(=O)NC2CCCCC2)s1 ZINC000175761655 365592499 /nfs/dbraw/zinc/59/24/99/365592499.db2.gz SBQCDLCYJSPHBL-UHFFFAOYSA-N 0 0 238.356 3.511 20 0 BHADRN Cc1ccc(NC(=O)NCCCC(C)C)s1 ZINC000175776006 365593783 /nfs/dbraw/zinc/59/37/83/365593783.db2.gz PMDQIDQXRRWTDK-UHFFFAOYSA-N 0 0 240.372 3.614 20 0 BHADRN CCN(CC(C)C)C(=O)Nc1ccc(C)s1 ZINC000175777353 365595569 /nfs/dbraw/zinc/59/55/69/365595569.db2.gz YAYFKDDOOCLMKK-UHFFFAOYSA-N 0 0 240.372 3.566 20 0 BHADRN CC(C)(C)CNC(=O)CC1CCCCCC1 ZINC000175788636 323080917 /nfs/dbraw/zinc/08/09/17/323080917.db2.gz QENWXLUEMIJISX-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN C/C=C(\C)C(=O)Nc1c(C)cc(C)cc1C ZINC000175810976 188253266 /nfs/dbraw/zinc/25/32/66/188253266.db2.gz HKPCMXNOIUWKPV-UXBLZVDNSA-N 0 0 217.312 3.517 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000175811053 643646559 /nfs/dbraw/zinc/64/65/59/643646559.db2.gz WTIYYFNKLGHSHD-XBXARRHUSA-N 0 0 223.703 3.553 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc2ccccc21 ZINC000175811073 643424625 /nfs/dbraw/zinc/42/46/25/643424625.db2.gz CJDBCBVTDURMOU-QDEBKDIKSA-N 0 0 225.291 3.745 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000175811149 643424299 /nfs/dbraw/zinc/42/42/99/643424299.db2.gz QCPWRRZLQWGBJO-FPYGCLRLSA-N 0 0 243.228 3.610 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(Cl)cc1C ZINC000175811286 188164519 /nfs/dbraw/zinc/16/45/19/188164519.db2.gz BKRBJPQUBGDSMZ-XBXARRHUSA-N 0 0 223.703 3.553 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc(Cl)c1C ZINC000175811307 384962302 /nfs/dbraw/zinc/96/23/02/384962302.db2.gz GRGVVWBURSWUOM-XBXARRHUSA-N 0 0 223.703 3.553 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000175811332 643426193 /nfs/dbraw/zinc/42/61/93/643426193.db2.gz KGOQXIKAURWSBE-XVNBXDOJSA-N 0 0 244.121 3.898 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(C)cc1Cl ZINC000175811443 384963552 /nfs/dbraw/zinc/96/35/52/384963552.db2.gz AXVRTJYGURVWSJ-RUDMXATFSA-N 0 0 223.703 3.553 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccccc1C(C)C ZINC000175811762 384962258 /nfs/dbraw/zinc/96/22/58/384962258.db2.gz IQUCIPPHLUIIEL-VZUCSPMQSA-N 0 0 217.312 3.715 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc(Cl)c1Cl ZINC000175812043 643426400 /nfs/dbraw/zinc/42/64/00/643426400.db2.gz IPBYARBFZMWMRS-XVNBXDOJSA-N 0 0 244.121 3.898 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000175812269 643645838 /nfs/dbraw/zinc/64/58/38/643645838.db2.gz FICBXQGJACVKSL-FPYGCLRLSA-N 0 0 243.228 3.610 20 0 BHADRN C/C=C(\C)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000175812470 711477021 /nfs/dbraw/zinc/47/70/21/711477021.db2.gz FSFAQRRNIWQJFV-RUDMXATFSA-N 0 0 246.335 3.509 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000175812568 711477102 /nfs/dbraw/zinc/47/71/02/711477102.db2.gz KEKNAQHSHVCTAQ-LFYBBSHMSA-N 0 0 247.338 3.626 20 0 BHADRN C/C=C(\C)C(=O)Nc1c(CC)cccc1CC ZINC000175813063 187306185 /nfs/dbraw/zinc/30/61/85/187306185.db2.gz PSYKAQWKSMIIHW-VZUCSPMQSA-N 0 0 231.339 3.716 20 0 BHADRN C/C=C(\C)C(=O)Nc1cc(Cl)ccc1C ZINC000175813306 188340474 /nfs/dbraw/zinc/34/04/74/188340474.db2.gz HQJZCEANNCIDRH-XBXARRHUSA-N 0 0 223.703 3.553 20 0 BHADRN C/C=C(\C)C(=O)Oc1cc(C)ccc1Cl ZINC000175814646 643449062 /nfs/dbraw/zinc/44/90/62/643449062.db2.gz VLFSPOYAHJURHV-RUDMXATFSA-N 0 0 224.687 3.520 20 0 BHADRN C/C=C(\C)C(=O)Nc1nc2c(cccc2C)s1 ZINC000175815097 643666605 /nfs/dbraw/zinc/66/66/05/643666605.db2.gz UFUUOWFKXFVKOL-XBXARRHUSA-N 0 0 246.335 3.509 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc(C(C)C)c1 ZINC000175817575 643454926 /nfs/dbraw/zinc/45/49/26/643454926.db2.gz ISRMUKYCXDQBDH-VZUCSPMQSA-N 0 0 217.312 3.715 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000175818844 187306387 /nfs/dbraw/zinc/30/63/87/187306387.db2.gz ACMFMBUDBSPEBU-INJWIWPUSA-N 0 0 243.306 3.576 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000175818861 187305959 /nfs/dbraw/zinc/30/59/59/187305959.db2.gz ACMFMBUDBSPEBU-LLMHMKPQSA-N 0 0 243.306 3.576 20 0 BHADRN CCC[C@@H](CC)NC(=O)Nc1ccc(C)s1 ZINC000175821167 384495287 /nfs/dbraw/zinc/49/52/87/384495287.db2.gz LYMAKQQBBMRLJR-SNVBAGLBSA-N 0 0 240.372 3.757 20 0 BHADRN CCC[C@H](CC)NC(=O)Nc1ccc(C)s1 ZINC000175821184 384497972 /nfs/dbraw/zinc/49/79/72/384497972.db2.gz LYMAKQQBBMRLJR-JTQLQIEISA-N 0 0 240.372 3.757 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000175823728 643467517 /nfs/dbraw/zinc/46/75/17/643467517.db2.gz HVYNKNFXCGDYOT-CYIWUNGXSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000175823743 643468127 /nfs/dbraw/zinc/46/81/27/643468127.db2.gz 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CCCC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 ZINC000176675320 388457185 /nfs/dbraw/zinc/45/71/85/388457185.db2.gz PBQYCBGYUMFIRU-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(=O)N[C@H](C)[C@@H](C)C1CCCCC1 ZINC000176675337 388457612 /nfs/dbraw/zinc/45/76/12/388457612.db2.gz PBQYCBGYUMFIRU-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(=O)N[C@@H](C)[C@H](C)C1CCCCC1 ZINC000176675352 388457523 /nfs/dbraw/zinc/45/75/23/388457523.db2.gz PBQYCBGYUMFIRU-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(=O)N[C@H](C)[C@H](C)C1CCCCC1 ZINC000176675367 527948331 /nfs/dbraw/zinc/94/83/31/527948331.db2.gz PBQYCBGYUMFIRU-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](NC(=O)C1CCC1)[C@@H](C)C1CCCCC1 ZINC000176678550 229453360 /nfs/dbraw/zinc/45/33/60/229453360.db2.gz DUBHAQOHXOMMSI-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)C1CCC1)[C@H](C)C1CCCCC1 ZINC000176678563 388457637 /nfs/dbraw/zinc/45/76/37/388457637.db2.gz DUBHAQOHXOMMSI-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)C1CCC1)[C@@H](C)C1CCCCC1 ZINC000176678579 388457511 /nfs/dbraw/zinc/45/75/11/388457511.db2.gz DUBHAQOHXOMMSI-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]([C@H](C)NC(=O)C1CCC1)C1CCCCC1 ZINC000176678592 534034203 /nfs/dbraw/zinc/03/42/03/534034203.db2.gz DUBHAQOHXOMMSI-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)c1ccco1)[C@@H](C)C1CCCCC1 ZINC000176681529 388457556 /nfs/dbraw/zinc/45/75/56/388457556.db2.gz JZGPWWNSOORECG-VXGBXAGGSA-N 0 0 249.354 3.614 20 0 BHADRN C[C@@H](NC(=O)c1ccco1)[C@H](C)C1CCCCC1 ZINC000176681550 533304444 /nfs/dbraw/zinc/30/44/44/533304444.db2.gz JZGPWWNSOORECG-NWDGAFQWSA-N 0 0 249.354 3.614 20 0 BHADRN C[C@H](NC(=O)c1ccco1)[C@@H](C)C1CCCCC1 ZINC000176681566 533763101 /nfs/dbraw/zinc/76/31/01/533763101.db2.gz JZGPWWNSOORECG-NEPJUHHUSA-N 0 0 249.354 3.614 20 0 BHADRN C[C@@H]([C@H](C)NC(=O)c1ccco1)C1CCCCC1 ZINC000176681583 388457355 /nfs/dbraw/zinc/45/73/55/388457355.db2.gz JZGPWWNSOORECG-RYUDHWBXSA-N 0 0 249.354 3.614 20 0 BHADRN CC(C(=O)Nc1cccc(F)c1C)=C1CCCC1 ZINC000176684013 631906822 /nfs/dbraw/zinc/90/68/22/631906822.db2.gz AMUINAVDCRIFEJ-UHFFFAOYSA-N 0 0 247.313 3.963 20 0 BHADRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C1CCCC1 ZINC000176686335 388457299 /nfs/dbraw/zinc/45/72/99/388457299.db2.gz RCPWBBJUVKVDIH-YPMHNXCESA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C1CCCC1 ZINC000176686372 229454352 /nfs/dbraw/zinc/45/43/52/229454352.db2.gz RCPWBBJUVKVDIH-AAEUAGOBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C1CCCC1 ZINC000176686399 229454952 /nfs/dbraw/zinc/45/49/52/229454952.db2.gz RCPWBBJUVKVDIH-DGCLKSJQSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)C1CCCC1 ZINC000176686433 388457417 /nfs/dbraw/zinc/45/74/17/388457417.db2.gz RCPWBBJUVKVDIH-WCQYABFASA-N 0 0 237.387 3.508 20 0 BHADRN Cc1occc1C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000176687540 134293803 /nfs/dbraw/zinc/29/38/03/134293803.db2.gz HVUGFOHIODOVMW-GXFFZTMASA-N 0 0 249.354 3.533 20 0 BHADRN Cc1occc1C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000176687558 134293566 /nfs/dbraw/zinc/29/35/66/134293566.db2.gz HVUGFOHIODOVMW-GWCFXTLKSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1occc1C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000176687571 134293671 /nfs/dbraw/zinc/29/36/71/134293671.db2.gz HVUGFOHIODOVMW-ZWNOBZJWSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1occc1C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000176687587 134293635 /nfs/dbraw/zinc/29/36/35/134293635.db2.gz HVUGFOHIODOVMW-MFKMUULPSA-N 0 0 249.354 3.533 20 0 BHADRN CCCc1ccccc1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176691028 384729004 /nfs/dbraw/zinc/72/90/04/384729004.db2.gz QYFVHYFMLXPAQN-ZIAGYGMSSA-N 0 0 243.350 3.624 20 0 BHADRN CCCc1ccccc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176691036 384729420 /nfs/dbraw/zinc/72/94/20/384729420.db2.gz QYFVHYFMLXPAQN-KGLIPLIRSA-N 0 0 243.350 3.624 20 0 BHADRN CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000176691050 205591905 /nfs/dbraw/zinc/59/19/05/205591905.db2.gz QYFVHYFMLXPAQN-UONOGXRCSA-N 0 0 243.350 3.624 20 0 BHADRN CCCc1ccccc1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000176691059 384730664 /nfs/dbraw/zinc/73/06/64/384730664.db2.gz QYFVHYFMLXPAQN-KBPBESRZSA-N 0 0 243.350 3.624 20 0 BHADRN C[C@@H](NC(=O)C1CC=CC1)[C@@H](C)C1CCCCC1 ZINC000176695994 388458015 /nfs/dbraw/zinc/45/80/15/388458015.db2.gz VWBPPPOUGDPJRR-CHWSQXEVSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@@H](NC(=O)C1CC=CC1)[C@H](C)C1CCCCC1 ZINC000176696011 388458000 /nfs/dbraw/zinc/45/80/00/388458000.db2.gz VWBPPPOUGDPJRR-QWHCGFSZSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H](NC(=O)C1CC=CC1)[C@@H](C)C1CCCCC1 ZINC000176696020 388458242 /nfs/dbraw/zinc/45/82/42/388458242.db2.gz VWBPPPOUGDPJRR-OLZOCXBDSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@@H]([C@H](C)NC(=O)C1CC=CC1)C1CCCCC1 ZINC000176696034 388458212 /nfs/dbraw/zinc/45/82/12/388458212.db2.gz VWBPPPOUGDPJRR-STQMWFEESA-N 0 0 249.398 3.674 20 0 BHADRN CCCC(=O)N1c2ccccc2S[C@H](C)[C@@H]1C ZINC000176699554 384749642 /nfs/dbraw/zinc/74/96/42/384749642.db2.gz HTZNQNALSBNCTD-WDEREUQCSA-N 0 0 249.379 3.702 20 0 BHADRN CCCC(=O)N1c2ccccc2S[C@@H](C)[C@@H]1C ZINC000176699572 205595037 /nfs/dbraw/zinc/59/50/37/205595037.db2.gz HTZNQNALSBNCTD-QWRGUYRKSA-N 0 0 249.379 3.702 20 0 BHADRN CCCC(=O)N1c2ccccc2S[C@H](C)[C@H]1C ZINC000176699588 205593642 /nfs/dbraw/zinc/59/36/42/205593642.db2.gz HTZNQNALSBNCTD-GHMZBOCLSA-N 0 0 249.379 3.702 20 0 BHADRN CCCC(=O)N1c2ccccc2S[C@@H](C)[C@H]1C ZINC000176699601 384750223 /nfs/dbraw/zinc/75/02/23/384750223.db2.gz HTZNQNALSBNCTD-MNOVXSKESA-N 0 0 249.379 3.702 20 0 BHADRN CC(C)C(=O)N1c2ccccc2S[C@@H](C)[C@H]1C ZINC000176702650 384754504 /nfs/dbraw/zinc/75/45/04/384754504.db2.gz NFTQPEMOYOFVTB-MNOVXSKESA-N 0 0 249.379 3.558 20 0 BHADRN CC(C)C(=O)N1c2ccccc2S[C@@H](C)[C@@H]1C ZINC000176702664 385142566 /nfs/dbraw/zinc/14/25/66/385142566.db2.gz NFTQPEMOYOFVTB-QWRGUYRKSA-N 0 0 249.379 3.558 20 0 BHADRN CC(C)C(=O)N1c2ccccc2S[C@H](C)[C@H]1C ZINC000176702681 205594387 /nfs/dbraw/zinc/59/43/87/205594387.db2.gz NFTQPEMOYOFVTB-GHMZBOCLSA-N 0 0 249.379 3.558 20 0 BHADRN CC(C)C(=O)N1c2ccccc2S[C@H](C)[C@@H]1C ZINC000176702699 384753069 /nfs/dbraw/zinc/75/30/69/384753069.db2.gz NFTQPEMOYOFVTB-WDEREUQCSA-N 0 0 249.379 3.558 20 0 BHADRN CCC1(C(=O)N2C[C@H](C)c3ccccc32)CCC1 ZINC000176733116 384753522 /nfs/dbraw/zinc/75/35/22/384753522.db2.gz RRWAUBDEOGLQDQ-LBPRGKRZSA-N 0 0 243.350 3.717 20 0 BHADRN CCC1(C(=O)N2C[C@@H](C)c3ccccc32)CCC1 ZINC000176733129 384754599 /nfs/dbraw/zinc/75/45/99/384754599.db2.gz RRWAUBDEOGLQDQ-GFCCVEGCSA-N 0 0 243.350 3.717 20 0 BHADRN CC(=O)CS[C@@H]1CCCCc2ccccc21 ZINC000176734588 365895567 /nfs/dbraw/zinc/89/55/67/365895567.db2.gz LUWRIACQQLAACT-CQSZACIVSA-N 0 0 234.364 3.776 20 0 BHADRN CC(=O)CS[C@H]1CCCCc2ccccc21 ZINC000176734602 365895313 /nfs/dbraw/zinc/89/53/13/365895313.db2.gz LUWRIACQQLAACT-AWEZNQCLSA-N 0 0 234.364 3.776 20 0 BHADRN CC(=O)CS[C@@H](C)c1ccccc1Cl ZINC000176735305 365894822 /nfs/dbraw/zinc/89/48/22/365894822.db2.gz GKPFJKPLQDSWNA-VIFPVBQESA-N 0 0 228.744 3.723 20 0 BHADRN CC(=O)CS[C@H](C)c1ccccc1Cl ZINC000176735320 365895111 /nfs/dbraw/zinc/89/51/11/365895111.db2.gz GKPFJKPLQDSWNA-SECBINFHSA-N 0 0 228.744 3.723 20 0 BHADRN CC[C@H](SCC(C)=O)c1ccc(F)cc1F ZINC000176739855 365896604 /nfs/dbraw/zinc/89/66/04/365896604.db2.gz MWGVEFSFAKKHHY-LBPRGKRZSA-N 0 0 244.306 3.738 20 0 BHADRN CC[C@@H](SCC(C)=O)c1ccc(F)cc1F ZINC000176739872 365895993 /nfs/dbraw/zinc/89/59/93/365895993.db2.gz MWGVEFSFAKKHHY-GFCCVEGCSA-N 0 0 244.306 3.738 20 0 BHADRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC1CCC1 ZINC000176740305 388459995 /nfs/dbraw/zinc/45/99/95/388459995.db2.gz UUWVYDDKFBFMJU-SNPRPXQTSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCC1CCC1 ZINC000176740334 388460054 /nfs/dbraw/zinc/46/00/54/388460054.db2.gz UUWVYDDKFBFMJU-YUELXQCFSA-N 0 0 249.398 3.746 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](C)c1cc(F)ccc1F ZINC000176744469 632014331 /nfs/dbraw/zinc/01/43/31/632014331.db2.gz WRGZPRKGIXPVTO-SGDMMICCSA-N 0 0 240.249 3.535 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)c1cc(F)ccc1F ZINC000176744484 632014646 /nfs/dbraw/zinc/01/46/46/632014646.db2.gz WRGZPRKGIXPVTO-VGANXODHSA-N 0 0 240.249 3.535 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 ZINC000176744503 632014682 /nfs/dbraw/zinc/01/46/82/632014682.db2.gz SAORBXLUMWHEDU-SGDMMICCSA-N 0 0 240.249 3.535 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)c1ccc(F)c(F)c1 ZINC000176744518 632014865 /nfs/dbraw/zinc/01/48/65/632014865.db2.gz SAORBXLUMWHEDU-VGANXODHSA-N 0 0 240.249 3.535 20 0 BHADRN Clc1cnccc1N1CCCCCCC1 ZINC000176745146 632015403 /nfs/dbraw/zinc/01/54/03/632015403.db2.gz ZDAXTDDKAPABCH-UHFFFAOYSA-N 0 0 224.735 3.506 20 0 BHADRN CC(=O)CSCCCc1ccc(Cl)cc1 ZINC000176750193 365898030 /nfs/dbraw/zinc/89/80/30/365898030.db2.gz CLGLNYBQYZQJBN-UHFFFAOYSA-N 0 0 242.771 3.595 20 0 BHADRN CC(C)COC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000176752668 632025606 /nfs/dbraw/zinc/02/56/06/632025606.db2.gz SKRVRKBQCBXZFV-QMMMGPOBSA-N 0 0 246.759 3.704 20 0 BHADRN CC(C)COC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000176752682 632045151 /nfs/dbraw/zinc/04/51/51/632045151.db2.gz SKRVRKBQCBXZFV-MRVPVSSYSA-N 0 0 246.759 3.704 20 0 BHADRN CC[C@@H](C)OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000176753169 632045718 /nfs/dbraw/zinc/04/57/18/632045718.db2.gz URODBRPMGCEYMC-SFYZADRCSA-N 0 0 246.759 3.847 20 0 BHADRN CC[C@H](C)OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000176753182 632044635 /nfs/dbraw/zinc/04/46/35/632044635.db2.gz URODBRPMGCEYMC-YUMQZZPRSA-N 0 0 246.759 3.847 20 0 BHADRN CC[C@@H]1CCCN(C(=O)CCC2CCC2)CC1 ZINC000176753194 388460059 /nfs/dbraw/zinc/46/00/59/388460059.db2.gz QRVSDUPNTFXCEL-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@@H](C)OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000176753196 632044353 /nfs/dbraw/zinc/04/43/53/632044353.db2.gz URODBRPMGCEYMC-HTQZYQBOSA-N 0 0 246.759 3.847 20 0 BHADRN CC[C@H]1CCCN(C(=O)CCC2CCC2)CC1 ZINC000176753208 388460003 /nfs/dbraw/zinc/46/00/03/388460003.db2.gz QRVSDUPNTFXCEL-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@H](C)OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000176753209 632045531 /nfs/dbraw/zinc/04/55/31/632045531.db2.gz URODBRPMGCEYMC-JGVFFNPUSA-N 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/nfs/dbraw/zinc/47/72/21/388477221.db2.gz TULFKFFDJPVXBM-KGLIPLIRSA-N 0 0 247.382 3.875 20 0 BHADRN CCCCCC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000177217513 388477793 /nfs/dbraw/zinc/47/77/93/388477793.db2.gz TULFKFFDJPVXBM-ZIAGYGMSSA-N 0 0 247.382 3.875 20 0 BHADRN CCCCCC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000177217525 528109440 /nfs/dbraw/zinc/10/94/40/528109440.db2.gz TULFKFFDJPVXBM-KBPBESRZSA-N 0 0 247.382 3.875 20 0 BHADRN CCCCCC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000177217540 388477856 /nfs/dbraw/zinc/47/78/56/388477856.db2.gz TULFKFFDJPVXBM-UONOGXRCSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000177217704 388477877 /nfs/dbraw/zinc/47/78/77/388477877.db2.gz RMIYZCFVCPTMHK-MJBXVCDLSA-N 0 0 247.382 3.731 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000177217728 528021180 /nfs/dbraw/zinc/02/11/80/528021180.db2.gz RMIYZCFVCPTMHK-BFHYXJOUSA-N 0 0 247.382 3.731 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000177223250 168266516 /nfs/dbraw/zinc/26/65/16/168266516.db2.gz UODINEKERURXKD-OLZOCXBDSA-N 0 0 247.382 3.731 20 0 BHADRN CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000177223268 168268011 /nfs/dbraw/zinc/26/80/11/168268011.db2.gz UODINEKERURXKD-CHWSQXEVSA-N 0 0 247.382 3.731 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000177223278 168266799 /nfs/dbraw/zinc/26/67/99/168266799.db2.gz UODINEKERURXKD-STQMWFEESA-N 0 0 247.382 3.731 20 0 BHADRN CCC(C)(C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000177223294 168267524 /nfs/dbraw/zinc/26/75/24/168267524.db2.gz UODINEKERURXKD-QWHCGFSZSA-N 0 0 247.382 3.731 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1Cc2ccccc2C1 ZINC000177237743 385204466 /nfs/dbraw/zinc/20/44/66/385204466.db2.gz HNNMDRTVQIOWPN-UHFFFAOYSA-N 0 0 245.366 3.601 20 0 BHADRN CC(C)OCc1ccc(N[C@@H](C)C2CC2)cc1 ZINC000177249615 167271820 /nfs/dbraw/zinc/27/18/20/167271820.db2.gz SGIPDWHSSCPEDR-LBPRGKRZSA-N 0 0 233.355 3.822 20 0 BHADRN CC(C)OCc1ccc(N[C@H](C)C2CC2)cc1 ZINC000177249633 167271191 /nfs/dbraw/zinc/27/11/91/167271191.db2.gz SGIPDWHSSCPEDR-GFCCVEGCSA-N 0 0 233.355 3.822 20 0 BHADRN CCCCCC(C)(C)C(=O)NCc1ccoc1 ZINC000177251721 633822921 /nfs/dbraw/zinc/82/29/21/633822921.db2.gz INRXGMCUTYHWKP-UHFFFAOYSA-N 0 0 237.343 3.502 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)C(C)(C)CC(C)C ZINC000177252811 365989285 /nfs/dbraw/zinc/98/92/85/365989285.db2.gz BXTRIKHHUPJVHO-GFCCVEGCSA-N 0 0 227.392 3.563 20 0 BHADRN CC[C@H](C)CN(C)C(=O)C(C)(C)CC(C)C ZINC000177252827 365989000 /nfs/dbraw/zinc/98/90/00/365989000.db2.gz BXTRIKHHUPJVHO-LBPRGKRZSA-N 0 0 227.392 3.563 20 0 BHADRN CC(C)OCc1cccc(N[C@@H](C)C2CC2)c1 ZINC000177253196 365989427 /nfs/dbraw/zinc/98/94/27/365989427.db2.gz ZOKNTMWRTRNAPN-LBPRGKRZSA-N 0 0 233.355 3.822 20 0 BHADRN CC(C)OCc1cccc(N[C@H](C)C2CC2)c1 ZINC000177253209 365989612 /nfs/dbraw/zinc/98/96/12/365989612.db2.gz ZOKNTMWRTRNAPN-GFCCVEGCSA-N 0 0 233.355 3.822 20 0 BHADRN C[C@H](Nc1cccc(COCC2CC2)c1)C1CC1 ZINC000177255600 365989648 /nfs/dbraw/zinc/98/96/48/365989648.db2.gz QYFJBKMUIUYOGQ-LBPRGKRZSA-N 0 0 245.366 3.824 20 0 BHADRN C[C@@H](Nc1cccc(COCC2CC2)c1)C1CC1 ZINC000177255618 365989636 /nfs/dbraw/zinc/98/96/36/365989636.db2.gz QYFJBKMUIUYOGQ-GFCCVEGCSA-N 0 0 245.366 3.824 20 0 BHADRN CCCCC(=O)N[C@H](CCC)CCCC ZINC000177273817 528090618 /nfs/dbraw/zinc/09/06/18/528090618.db2.gz OWRSHLUVUIHKNA-GFCCVEGCSA-N 0 0 213.365 3.652 20 0 BHADRN CCCCC(=O)N[C@@H](CCC)CCCC ZINC000177273831 388480028 /nfs/dbraw/zinc/48/00/28/388480028.db2.gz OWRSHLUVUIHKNA-LBPRGKRZSA-N 0 0 213.365 3.652 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)[C@H]1CC=CCC1 ZINC000177274854 388479745 /nfs/dbraw/zinc/47/97/45/388479745.db2.gz OHWOIPKEVLOHLK-UONOGXRCSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@H]1CC=CCC1 ZINC000177274867 388479579 /nfs/dbraw/zinc/47/95/79/388479579.db2.gz OHWOIPKEVLOHLK-KBPBESRZSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)[C@@H]1CC=CCC1 ZINC000177274883 388479903 /nfs/dbraw/zinc/47/99/03/388479903.db2.gz OHWOIPKEVLOHLK-ZIAGYGMSSA-N 0 0 237.387 3.818 20 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ZINC000177286037 384749103 /nfs/dbraw/zinc/74/91/03/384749103.db2.gz XAYFMRIZJHRVFS-NWDGAFQWSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)C(C)(C)CC(C)C ZINC000177286049 388479701 /nfs/dbraw/zinc/47/97/01/388479701.db2.gz XAYFMRIZJHRVFS-NEPJUHHUSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C(C)(C)CC(C)C ZINC000177286065 388479289 /nfs/dbraw/zinc/47/92/89/388479289.db2.gz XAYFMRIZJHRVFS-RYUDHWBXSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)Cc1csc(-c2ccco2)n1 ZINC000177287623 346595074 /nfs/dbraw/zinc/59/50/74/346595074.db2.gz UWXTWLWDWRQHEF-UHFFFAOYSA-N 0 0 207.298 3.602 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)[C@@H](C)C1CC1 ZINC000177287626 346926088 /nfs/dbraw/zinc/92/60/88/346926088.db2.gz CUACCYBSBJMHDS-WCQYABFASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@@H](C)C1CC1 ZINC000177287639 388479587 /nfs/dbraw/zinc/47/95/87/388479587.db2.gz CUACCYBSBJMHDS-AAEUAGOBSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)[C@H](C)C1CC1 ZINC000177287655 528793076 /nfs/dbraw/zinc/79/30/76/528793076.db2.gz CUACCYBSBJMHDS-DGCLKSJQSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@H](C)C1CC1 ZINC000177287670 388479624 /nfs/dbraw/zinc/47/96/24/388479624.db2.gz CUACCYBSBJMHDS-YPMHNXCESA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)Cc1csc(-c2ccoc2)n1 ZINC000177287988 346594895 /nfs/dbraw/zinc/59/48/95/346594895.db2.gz NZORSOCWMXMUTM-UHFFFAOYSA-N 0 0 207.298 3.602 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)[C@@H](C)CC ZINC000177288639 388479965 /nfs/dbraw/zinc/47/99/65/388479965.db2.gz AKTAQKHQXQJXIV-NWDGAFQWSA-N 0 0 213.365 3.508 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@@H](C)CC ZINC000177288652 388479485 /nfs/dbraw/zinc/47/94/85/388479485.db2.gz AKTAQKHQXQJXIV-RYUDHWBXSA-N 0 0 213.365 3.508 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)[C@H](C)CC ZINC000177288667 528793082 /nfs/dbraw/zinc/79/30/82/528793082.db2.gz AKTAQKHQXQJXIV-VXGBXAGGSA-N 0 0 213.365 3.508 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@H](C)CC ZINC000177288680 528925808 /nfs/dbraw/zinc/92/58/08/528925808.db2.gz AKTAQKHQXQJXIV-NEPJUHHUSA-N 0 0 213.365 3.508 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)CC1CCC1 ZINC000177289996 388479601 /nfs/dbraw/zinc/47/96/01/388479601.db2.gz JZMFRKVHURMPAM-CYBMUJFWSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC[C@H](CCC)NC(=O)CC1CCC1 ZINC000177290007 528921348 /nfs/dbraw/zinc/92/13/48/528921348.db2.gz JZMFRKVHURMPAM-ZDUSSCGKSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)CCCSC ZINC000177291087 388479655 /nfs/dbraw/zinc/47/96/55/388479655.db2.gz XGJXVNYWUUGJBD-GFCCVEGCSA-N 0 0 245.432 3.605 20 0 BHADRN CCCC[C@H](CCC)NC(=O)CCCSC ZINC000177291107 528921682 /nfs/dbraw/zinc/92/16/82/528921682.db2.gz XGJXVNYWUUGJBD-LBPRGKRZSA-N 0 0 245.432 3.605 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)C1CCCC1 ZINC000177294671 528789382 /nfs/dbraw/zinc/78/93/82/528789382.db2.gz ASSOPIQECIDKNC-CYBMUJFWSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C1CCCC1 ZINC000177294683 388479490 /nfs/dbraw/zinc/47/94/90/388479490.db2.gz ASSOPIQECIDKNC-ZDUSSCGKSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)c1ccoc1C ZINC000177295322 388479678 /nfs/dbraw/zinc/47/96/78/388479678.db2.gz VDRYZPZQKWLQCM-GFCCVEGCSA-N 0 0 237.343 3.677 20 0 BHADRN CCCC[C@H](CCC)NC(=O)c1ccoc1C ZINC000177295338 388479558 /nfs/dbraw/zinc/47/95/58/388479558.db2.gz VDRYZPZQKWLQCM-LBPRGKRZSA-N 0 0 237.343 3.677 20 0 BHADRN CCCC[C@@H](CCC)CNC(=O)C1CCC1 ZINC000177299004 384950479 /nfs/dbraw/zinc/95/04/79/384950479.db2.gz JYFZHEVONYLZIV-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC[C@H](CCC)CNC(=O)C1CCC1 ZINC000177299021 384949124 /nfs/dbraw/zinc/94/91/24/384949124.db2.gz JYFZHEVONYLZIV-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000177299291 384948306 /nfs/dbraw/zinc/94/83/06/384948306.db2.gz FTHVDXLCUOUWMS-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000177299306 384949742 /nfs/dbraw/zinc/94/97/42/384949742.db2.gz FTHVDXLCUOUWMS-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000177299319 384948224 /nfs/dbraw/zinc/94/82/24/384948224.db2.gz FTHVDXLCUOUWMS-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000177299337 527673566 /nfs/dbraw/zinc/67/35/66/527673566.db2.gz FTHVDXLCUOUWMS-STQMWFEESA-N 0 0 239.403 3.706 20 0 BHADRN CCCCCC(C)(C)C(=O)N(C)C1CCC1 ZINC000177309568 632804790 /nfs/dbraw/zinc/80/47/90/632804790.db2.gz LXCRJHHUTLMTBM-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC(C)(C)C(=O)NCCC1CC1 ZINC000177312679 643431034 /nfs/dbraw/zinc/43/10/34/643431034.db2.gz MZNZGXVXKMWZMH-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC1(c2nc(-c3ccccc3)no2)CCC1 ZINC000177312870 365992484 /nfs/dbraw/zinc/99/24/84/365992484.db2.gz RXOKQGCGQBSXKH-UHFFFAOYSA-N 0 0 228.295 3.568 20 0 BHADRN CCC1(c2nc(-c3ccsc3)no2)CCC1 ZINC000177315415 384961847 /nfs/dbraw/zinc/96/18/47/384961847.db2.gz LOUSIXUGYHAJSI-UHFFFAOYSA-N 0 0 234.324 3.630 20 0 BHADRN CCC1(c2nc(C3CCCC3)no2)CCC1 ZINC000177317056 134299542 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385212950 /nfs/dbraw/zinc/21/29/50/385212950.db2.gz TYQKUMXXQGRRJA-LBPRGKRZSA-N 0 0 245.366 3.558 20 0 BHADRN CCc1ccccc1C(=O)N[C@H](C)C1CCCC1 ZINC000178216570 385213161 /nfs/dbraw/zinc/21/31/61/385213161.db2.gz TYQKUMXXQGRRJA-GFCCVEGCSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(CNc2ccc3c(c2)CCCO3)o1 ZINC000178218862 385212772 /nfs/dbraw/zinc/21/27/72/385212772.db2.gz NQAWPNBEGSOCPS-UHFFFAOYSA-N 0 0 243.306 3.525 20 0 BHADRN CSCCc1ccc(NCc2cc[nH]c2)cc1 ZINC000178221151 385346368 /nfs/dbraw/zinc/34/63/68/385346368.db2.gz SIBFEPIILYWHPP-UHFFFAOYSA-N 0 0 246.379 3.532 20 0 BHADRN CC(=O)CCCC(=O)Nc1ccc(C(C)C)cc1 ZINC000178221153 188342990 /nfs/dbraw/zinc/34/29/90/188342990.db2.gz AVJPPCOQABJBDD-UHFFFAOYSA-N 0 0 247.338 3.508 20 0 BHADRN C/C=C(\C)C(=O)Oc1ccc(C)cc1Cl ZINC000178225889 631428771 /nfs/dbraw/zinc/42/87/71/631428771.db2.gz BJRUDRTVXYRQOV-RUDMXATFSA-N 0 0 224.687 3.520 20 0 BHADRN CCc1ccccc1C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000178227764 205632775 /nfs/dbraw/zinc/63/27/75/205632775.db2.gz CYOBAZXSDQBJNM-STQMWFEESA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccccc1C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000178227778 385210583 /nfs/dbraw/zinc/21/05/83/385210583.db2.gz CYOBAZXSDQBJNM-OLZOCXBDSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccccc1C(=O)N1CCC[C@H](C)[C@H]1C ZINC000178227791 385211538 /nfs/dbraw/zinc/21/15/38/385211538.db2.gz CYOBAZXSDQBJNM-QWHCGFSZSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccccc1C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000178227803 205633000 /nfs/dbraw/zinc/63/30/00/205633000.db2.gz CYOBAZXSDQBJNM-CHWSQXEVSA-N 0 0 245.366 3.510 20 0 BHADRN CCSc1cccc(NCc2cccn2C)c1 ZINC000178234527 170656110 /nfs/dbraw/zinc/65/61/10/170656110.db2.gz QUGKIMJMCQLWBL-UHFFFAOYSA-N 0 0 246.379 3.749 20 0 BHADRN CCSc1cccc(NCC2=CCCOC2)c1 ZINC000178234767 385345303 /nfs/dbraw/zinc/34/53/03/385345303.db2.gz QHHSLGAXXVYYAU-UHFFFAOYSA-N 0 0 249.379 3.557 20 0 BHADRN CCCCCNc1cccc(NC(C)=O)c1C ZINC000178247506 134305343 /nfs/dbraw/zinc/30/53/43/134305343.db2.gz KDDNEXFDSNWHFY-UHFFFAOYSA-N 0 0 234.343 3.556 20 0 BHADRN CCC(=O)c1cccc(NC(=O)[C@@H](C)C(C)C)c1 ZINC000178248864 168259172 /nfs/dbraw/zinc/25/91/72/168259172.db2.gz XDOYIPXTGLPRNL-NSHDSACASA-N 0 0 247.338 3.510 20 0 BHADRN CCC(=O)c1cccc(NC(=O)[C@H](C)C(C)C)c1 ZINC000178248874 168258360 /nfs/dbraw/zinc/25/83/60/168258360.db2.gz XDOYIPXTGLPRNL-LLVKDONJSA-N 0 0 247.338 3.510 20 0 BHADRN Cc1ccccc1[C@@H](C)Sc1ncc[nH]1 ZINC000178253691 388497325 /nfs/dbraw/zinc/49/73/25/388497325.db2.gz WDRSWNDZFPVZSK-SNVBAGLBSA-N 0 0 218.325 3.571 20 0 BHADRN Cc1ccccc1[C@H](C)Sc1ncc[nH]1 ZINC000178253706 388496969 /nfs/dbraw/zinc/49/69/69/388496969.db2.gz WDRSWNDZFPVZSK-JTQLQIEISA-N 0 0 218.325 3.571 20 0 BHADRN O=C(CC1=CCCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178270456 385223579 /nfs/dbraw/zinc/22/35/79/385223579.db2.gz HQUXUZWXUYQHCZ-GASCZTMLSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(CC1=CCCCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178270470 385222330 /nfs/dbraw/zinc/22/23/30/385222330.db2.gz HQUXUZWXUYQHCZ-HUUCEWRRSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(CC1=CCCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178270480 385222974 /nfs/dbraw/zinc/22/29/74/385222974.db2.gz HQUXUZWXUYQHCZ-GJZGRUSLSA-N 0 0 247.382 3.526 20 0 BHADRN CCCCCCC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178281139 633182984 /nfs/dbraw/zinc/18/29/84/633182984.db2.gz IZOMTZOYUDZNSY-OKILXGFUSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCCC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178281152 633185004 /nfs/dbraw/zinc/18/50/04/633185004.db2.gz IZOMTZOYUDZNSY-ZIAGYGMSSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCCC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178281169 631457282 /nfs/dbraw/zinc/45/72/82/631457282.db2.gz IZOMTZOYUDZNSY-KBPBESRZSA-N 0 0 237.387 3.605 20 0 BHADRN O=C(CC1CCCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178281564 397799697 /nfs/dbraw/zinc/79/96/97/397799697.db2.gz MOBLRQQOEXCEOK-GASCZTMLSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(CC1CCCCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178281579 397799852 /nfs/dbraw/zinc/79/98/52/397799852.db2.gz MOBLRQQOEXCEOK-HUUCEWRRSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(CC1CCCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178281593 397799604 /nfs/dbraw/zinc/79/96/04/397799604.db2.gz MOBLRQQOEXCEOK-GJZGRUSLSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(C1CCCCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178300571 385223221 /nfs/dbraw/zinc/22/32/21/385223221.db2.gz ASDMKNGHMZBBQY-GASCZTMLSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(C1CCCCCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178300590 385223274 /nfs/dbraw/zinc/22/32/74/385223274.db2.gz ASDMKNGHMZBBQY-HUUCEWRRSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(C1CCCCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178300605 219865149 /nfs/dbraw/zinc/86/51/49/219865149.db2.gz ASDMKNGHMZBBQY-GJZGRUSLSA-N 0 0 249.398 3.605 20 0 BHADRN CN(CC1CC1)[C@@H](c1ccccc1)C(F)(F)F ZINC000178316149 388498263 /nfs/dbraw/zinc/49/82/63/388498263.db2.gz PUJYNPAKFYIRJO-LBPRGKRZSA-N 0 0 243.272 3.632 20 0 BHADRN CN(CC1CC1)[C@H](c1ccccc1)C(F)(F)F ZINC000178316167 388498413 /nfs/dbraw/zinc/49/84/13/388498413.db2.gz PUJYNPAKFYIRJO-GFCCVEGCSA-N 0 0 243.272 3.632 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)[C@@H](C)C(C)C)c1 ZINC000178323300 229526520 /nfs/dbraw/zinc/52/65/20/229526520.db2.gz WCPADPKEPIHDNA-JTQLQIEISA-N 0 0 239.746 3.879 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)[C@H](C)C(C)C)c1 ZINC000178323312 388498215 /nfs/dbraw/zinc/49/82/15/388498215.db2.gz WCPADPKEPIHDNA-SNVBAGLBSA-N 0 0 239.746 3.879 20 0 BHADRN C/C(=C\C(=O)Nc1cc(C)ccc1Cl)C1CC1 ZINC000178324183 385354713 /nfs/dbraw/zinc/35/47/13/385354713.db2.gz HXSAIQUJGXIFFP-CSKARUKUSA-N 0 0 249.741 3.943 20 0 BHADRN CCC1(NC(=O)Nc2ccc(C)s2)CCC1 ZINC000178333563 134308954 /nfs/dbraw/zinc/30/89/54/134308954.db2.gz LBWMVFXIYZNOHQ-UHFFFAOYSA-N 0 0 238.356 3.511 20 0 BHADRN CCc1cc(C)c(C(=O)Nc2ccc(C)cc2)o1 ZINC000178333620 388498582 /nfs/dbraw/zinc/49/85/82/388498582.db2.gz QKMSXRHTEGNGHG-UHFFFAOYSA-N 0 0 243.306 3.711 20 0 BHADRN CO[C@H](C)c1cccc(NCCC(C)C)c1 ZINC000178358900 385231748 /nfs/dbraw/zinc/23/17/48/385231748.db2.gz OIHRIVTTXHRSON-GFCCVEGCSA-N 0 0 221.344 3.852 20 0 BHADRN CO[C@@H](C)c1cccc(NCCC(C)C)c1 ZINC000178358910 385232534 /nfs/dbraw/zinc/23/25/34/385232534.db2.gz OIHRIVTTXHRSON-LBPRGKRZSA-N 0 0 221.344 3.852 20 0 BHADRN CCCCCNc1cccc([C@@H](C)OC)c1 ZINC000178359613 385233447 /nfs/dbraw/zinc/23/34/47/385233447.db2.gz QEHADSNYWWCCSV-GFCCVEGCSA-N 0 0 221.344 3.996 20 0 BHADRN CCCCCNc1cccc([C@H](C)OC)c1 ZINC000178359629 205633479 /nfs/dbraw/zinc/63/34/79/205633479.db2.gz QEHADSNYWWCCSV-LBPRGKRZSA-N 0 0 221.344 3.996 20 0 BHADRN CC/C=C(\C)C(=O)Nc1cccc(C(=O)CC)c1 ZINC000178363005 385361978 /nfs/dbraw/zinc/36/19/78/385361978.db2.gz HJGFBCSXXPVBQQ-YRNVUSSQSA-N 0 0 245.322 3.574 20 0 BHADRN CC(C)[C@@H](C)N(C(=O)Nc1ccccc1)C1CC1 ZINC000178363850 167362538 /nfs/dbraw/zinc/36/25/38/167362538.db2.gz PWGLNTDWXYMWPM-GFCCVEGCSA-N 0 0 246.354 3.727 20 0 BHADRN CC(C)[C@H](C)N(C(=O)Nc1ccccc1)C1CC1 ZINC000178363866 188166075 /nfs/dbraw/zinc/16/60/75/188166075.db2.gz PWGLNTDWXYMWPM-LBPRGKRZSA-N 0 0 246.354 3.727 20 0 BHADRN CCCCCCNc1cc(C)ccc1NC(C)=O ZINC000178364512 634020685 /nfs/dbraw/zinc/02/06/85/634020685.db2.gz CULCYAGYKAKDMN-UHFFFAOYSA-N 0 0 248.370 3.946 20 0 BHADRN CCCCCNc1cc(C)ccc1NC(C)=O ZINC000178365029 385360964 /nfs/dbraw/zinc/36/09/64/385360964.db2.gz REPMYUJEIJZMIY-UHFFFAOYSA-N 0 0 234.343 3.556 20 0 BHADRN C[C@H](C(=O)Nc1cccc2ccccc21)C1CC1 ZINC000178369392 388499790 /nfs/dbraw/zinc/49/97/90/388499790.db2.gz DBFWFYXWRKNQCZ-NSHDSACASA-N 0 0 239.318 3.824 20 0 BHADRN C[C@@H](C(=O)Nc1cccc2ccccc21)C1CC1 ZINC000178369409 388499780 /nfs/dbraw/zinc/49/97/80/388499780.db2.gz DBFWFYXWRKNQCZ-LLVKDONJSA-N 0 0 239.318 3.824 20 0 BHADRN C[C@H](C(=O)Nc1ccc2ccccc2c1)C1CC1 ZINC000178369436 631525607 /nfs/dbraw/zinc/52/56/07/631525607.db2.gz TXICXBBPQIXOBV-NSHDSACASA-N 0 0 239.318 3.824 20 0 BHADRN C[C@@H](C(=O)Nc1ccc2ccccc2c1)C1CC1 ZINC000178369453 634028873 /nfs/dbraw/zinc/02/88/73/634028873.db2.gz TXICXBBPQIXOBV-LLVKDONJSA-N 0 0 239.318 3.824 20 0 BHADRN C[C@H](C(=O)Oc1cccc2ccccc21)C1CC1 ZINC000178370185 634029857 /nfs/dbraw/zinc/02/98/57/634029857.db2.gz DLQYMGWVSJFCJI-NSHDSACASA-N 0 0 240.302 3.791 20 0 BHADRN C[C@@H](C(=O)Oc1cccc2ccccc21)C1CC1 ZINC000178370198 634030851 /nfs/dbraw/zinc/03/08/51/634030851.db2.gz DLQYMGWVSJFCJI-LLVKDONJSA-N 0 0 240.302 3.791 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)C2CC2)c(Cl)c1 ZINC000178371025 385361316 /nfs/dbraw/zinc/36/13/16/385361316.db2.gz HEMJUTQALYOFER-VIFPVBQESA-N 0 0 237.730 3.633 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)C2CC2)c(Cl)c1 ZINC000178371037 385361036 /nfs/dbraw/zinc/36/10/36/385361036.db2.gz HEMJUTQALYOFER-SECBINFHSA-N 0 0 237.730 3.633 20 0 BHADRN C[C@H](C(=O)Oc1ccc2ccccc2c1)C1CC1 ZINC000178371051 634032667 /nfs/dbraw/zinc/03/26/67/634032667.db2.gz WUGKHPSAARMISL-NSHDSACASA-N 0 0 240.302 3.791 20 0 BHADRN C[C@@H](C(=O)Oc1ccc2ccccc2c1)C1CC1 ZINC000178371065 634033672 /nfs/dbraw/zinc/03/36/72/634033672.db2.gz WUGKHPSAARMISL-LLVKDONJSA-N 0 0 240.302 3.791 20 0 BHADRN CCc1cccc(CC)c1NC(=O)[C@@H](C)C1CC1 ZINC000178374470 188166586 /nfs/dbraw/zinc/16/65/86/188166586.db2.gz JWRNCMGYCTVSTD-NSHDSACASA-N 0 0 245.366 3.796 20 0 BHADRN CCc1cccc(CC)c1NC(=O)[C@H](C)C1CC1 ZINC000178374485 188342873 /nfs/dbraw/zinc/34/28/73/188342873.db2.gz JWRNCMGYCTVSTD-LLVKDONJSA-N 0 0 245.366 3.796 20 0 BHADRN CCCCN(C(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC000178379578 388499272 /nfs/dbraw/zinc/49/92/72/388499272.db2.gz FQRVXUVHGGSZGC-ZDUSSCGKSA-N 0 0 245.366 3.866 20 0 BHADRN CCCCN(C(=O)[C@H](C)C1CC1)c1ccccc1 ZINC000178379589 388499713 /nfs/dbraw/zinc/49/97/13/388499713.db2.gz FQRVXUVHGGSZGC-CYBMUJFWSA-N 0 0 245.366 3.866 20 0 BHADRN CC(C)c1ccccc1OC(=O)[C@@H](C)C1CC1 ZINC000178380046 631530943 /nfs/dbraw/zinc/53/09/43/631530943.db2.gz NMFXLEJEUBWJID-NSHDSACASA-N 0 0 232.323 3.762 20 0 BHADRN CC(C)c1ccccc1OC(=O)[C@H](C)C1CC1 ZINC000178380062 634209987 /nfs/dbraw/zinc/20/99/87/634209987.db2.gz NMFXLEJEUBWJID-LLVKDONJSA-N 0 0 232.323 3.762 20 0 BHADRN COc1ccc(C)cc1CSCCCF ZINC000178387485 134309120 /nfs/dbraw/zinc/30/91/20/134309120.db2.gz SGEZLLPIJKEZGI-UHFFFAOYSA-N 0 0 228.332 3.596 20 0 BHADRN FCCCSCc1nc2ccccc2s1 ZINC000178388147 397846369 /nfs/dbraw/zinc/84/63/69/397846369.db2.gz PCEYSWGEGWDBIN-UHFFFAOYSA-N 0 0 241.356 3.889 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@@H](C)C2CC2)c1 ZINC000178389043 388499534 /nfs/dbraw/zinc/49/95/34/388499534.db2.gz WQXNITRLSFOSCI-NSHDSACASA-N 0 0 231.339 3.795 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@H](C)C2CC2)c1 ZINC000178389058 388499703 /nfs/dbraw/zinc/49/97/03/388499703.db2.gz WQXNITRLSFOSCI-LLVKDONJSA-N 0 0 231.339 3.795 20 0 BHADRN CCCc1ccc(NC(=O)[C@@H](C)C2CC2)cc1 ZINC000178389136 711710735 /nfs/dbraw/zinc/71/07/35/711710735.db2.gz WQXJEDJLPDUINS-NSHDSACASA-N 0 0 231.339 3.624 20 0 BHADRN CC[C@H](NC(=O)[C@@H](C)C1CC1)c1ccc(C)cc1 ZINC000178389470 134309041 /nfs/dbraw/zinc/30/90/41/134309041.db2.gz LKUSHLMSCIQNRG-WFASDCNBSA-N 0 0 245.366 3.608 20 0 BHADRN CC[C@@H](NC(=O)[C@@H](C)C1CC1)c1ccc(C)cc1 ZINC000178389487 535797456 /nfs/dbraw/zinc/79/74/56/535797456.db2.gz LKUSHLMSCIQNRG-SWLSCSKDSA-N 0 0 245.366 3.608 20 0 BHADRN CC[C@H](NC(=O)[C@H](C)C1CC1)c1ccc(C)cc1 ZINC000178389500 535838639 /nfs/dbraw/zinc/83/86/39/535838639.db2.gz LKUSHLMSCIQNRG-DOMZBBRYSA-N 0 0 245.366 3.608 20 0 BHADRN CC[C@@H](NC(=O)[C@H](C)C1CC1)c1ccc(C)cc1 ZINC000178389514 535798522 /nfs/dbraw/zinc/79/85/22/535798522.db2.gz LKUSHLMSCIQNRG-IUODEOHRSA-N 0 0 245.366 3.608 20 0 BHADRN CCC[C@H](NC(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC000178392175 134309182 /nfs/dbraw/zinc/30/91/82/134309182.db2.gz IOGDIHSFUVYTFG-WFASDCNBSA-N 0 0 245.366 3.690 20 0 BHADRN CCC[C@@H](NC(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC000178392190 134309313 /nfs/dbraw/zinc/30/93/13/134309313.db2.gz IOGDIHSFUVYTFG-SWLSCSKDSA-N 0 0 245.366 3.690 20 0 BHADRN CCC[C@H](NC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC000178392201 134309305 /nfs/dbraw/zinc/30/93/05/134309305.db2.gz IOGDIHSFUVYTFG-DOMZBBRYSA-N 0 0 245.366 3.690 20 0 BHADRN CCC[C@@H](NC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC000178392213 134309280 /nfs/dbraw/zinc/30/92/80/134309280.db2.gz IOGDIHSFUVYTFG-IUODEOHRSA-N 0 0 245.366 3.690 20 0 BHADRN FCCCS[C@@H]1CCc2ccc(F)cc21 ZINC000178398309 134309137 /nfs/dbraw/zinc/30/91/37/134309137.db2.gz JVGRPVPFEDOQPP-GFCCVEGCSA-N 0 0 228.307 3.906 20 0 BHADRN FCCCS[C@H]1CCc2ccc(F)cc21 ZINC000178398326 134309058 /nfs/dbraw/zinc/30/90/58/134309058.db2.gz JVGRPVPFEDOQPP-LBPRGKRZSA-N 0 0 228.307 3.906 20 0 BHADRN Cc1ccccc1[C@@H](C)SCCn1cccn1 ZINC000178399195 134309419 /nfs/dbraw/zinc/30/94/19/134309419.db2.gz FQWHBMCSXIUDFD-CYBMUJFWSA-N 0 0 246.379 3.686 20 0 BHADRN Cc1ccccc1[C@H](C)SCCn1cccn1 ZINC000178399206 134309393 /nfs/dbraw/zinc/30/93/93/134309393.db2.gz FQWHBMCSXIUDFD-ZDUSSCGKSA-N 0 0 246.379 3.686 20 0 BHADRN Cc1ccnc(-c2ccc(NCC(C)C)cc2)n1 ZINC000178400747 229528514 /nfs/dbraw/zinc/52/85/14/229528514.db2.gz BBFAFWWEGBMUEQ-UHFFFAOYSA-N 0 0 241.338 3.520 20 0 BHADRN C[C@H](C(=O)OCc1cc2ccccc2o1)C1CC1 ZINC000178400970 711713863 /nfs/dbraw/zinc/71/38/63/711713863.db2.gz RTTIRQKOIGYXGN-JTQLQIEISA-N 0 0 244.290 3.522 20 0 BHADRN C[C@@H](C(=O)OCc1cc2ccccc2o1)C1CC1 ZINC000178400983 711714091 /nfs/dbraw/zinc/71/40/91/711714091.db2.gz RTTIRQKOIGYXGN-SNVBAGLBSA-N 0 0 244.290 3.522 20 0 BHADRN CCC[C@@H](C)Sc1nnc(SCC)s1 ZINC000178415348 528901506 /nfs/dbraw/zinc/90/15/06/528901506.db2.gz ZZULDMZCBLIIDG-SSDOTTSWSA-N 0 0 248.442 3.931 20 0 BHADRN CCC[C@H](C)Sc1nnc(SCC)s1 ZINC000178415357 388499878 /nfs/dbraw/zinc/49/98/78/388499878.db2.gz ZZULDMZCBLIIDG-ZETCQYMHSA-N 0 0 248.442 3.931 20 0 BHADRN C[C@H](C(=O)N(C1CC1)C1CCC(C)CC1)C1CC1 ZINC000178416914 134310159 /nfs/dbraw/zinc/31/01/59/134310159.db2.gz GEXRYWKXZMJVII-LXVYMNJGSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H](C(=O)N(C1CC1)C1CCC(C)CC1)C1CC1 ZINC000178416924 134310154 /nfs/dbraw/zinc/31/01/54/134310154.db2.gz GEXRYWKXZMJVII-MBHSVXNSSA-N 0 0 249.398 3.602 20 0 BHADRN Cc1ccc([C@@H](C)N(C)C(=O)[C@@H](C)C2CC2)cc1 ZINC000178417488 385369308 /nfs/dbraw/zinc/36/93/08/385369308.db2.gz AYKGDTFAPPJBTP-QWHCGFSZSA-N 0 0 245.366 3.561 20 0 BHADRN Cc1ccc([C@H](C)N(C)C(=O)[C@@H](C)C2CC2)cc1 ZINC000178417501 385368211 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KYOLLKNXANQPIC-MRVPVSSYSA-N 0 0 239.265 3.609 20 0 BHADRN CCOc1ccccc1CN[C@@H](C)c1ccoc1 ZINC000178467711 366127779 /nfs/dbraw/zinc/12/77/79/366127779.db2.gz VPLABBSYNGWIFL-LBPRGKRZSA-N 0 0 245.322 3.529 20 0 BHADRN CCOc1ccccc1CN[C@H](C)c1ccoc1 ZINC000178467722 366126964 /nfs/dbraw/zinc/12/69/64/366126964.db2.gz VPLABBSYNGWIFL-GFCCVEGCSA-N 0 0 245.322 3.529 20 0 BHADRN C[C@H](C(=O)N1CCC2(CCCCC2)CC1)C1CC1 ZINC000178468588 134307126 /nfs/dbraw/zinc/30/71/26/134307126.db2.gz ZPHLQRHAQLZEBY-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H](C(=O)N1CCC2(CCCCC2)CC1)C1CC1 ZINC000178468597 134307124 /nfs/dbraw/zinc/30/71/24/134307124.db2.gz ZPHLQRHAQLZEBY-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000178468959 134307239 /nfs/dbraw/zinc/30/72/39/134307239.db2.gz AIXZSFWWLVPQFM-SNVBAGLBSA-N 0 0 237.368 3.926 20 0 BHADRN CCC[C@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000178468970 134307035 /nfs/dbraw/zinc/30/70/35/134307035.db2.gz AIXZSFWWLVPQFM-JTQLQIEISA-N 0 0 237.368 3.926 20 0 BHADRN CSCc1ccc(NC(=O)[C@@H](C)C2CC2)cc1 ZINC000178472014 175531582 /nfs/dbraw/zinc/53/15/82/175531582.db2.gz MPCJFFQQIZOXHZ-JTQLQIEISA-N 0 0 249.379 3.534 20 0 BHADRN CSCc1ccc(NC(=O)[C@H](C)C2CC2)cc1 ZINC000178472027 385377041 /nfs/dbraw/zinc/37/70/41/385377041.db2.gz MPCJFFQQIZOXHZ-SNVBAGLBSA-N 0 0 249.379 3.534 20 0 BHADRN C[C@H](C(=O)N(CC1CC1)C1CCCCC1)C1CC1 ZINC000178472688 388500469 /nfs/dbraw/zinc/50/04/69/388500469.db2.gz NDCVMWDXMHBSGP-LBPRGKRZSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H](C(=O)N(CC1CC1)C1CCCCC1)C1CC1 ZINC000178472700 388500570 /nfs/dbraw/zinc/50/05/70/388500570.db2.gz NDCVMWDXMHBSGP-GFCCVEGCSA-N 0 0 249.398 3.604 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)C1CC1 ZINC000178473241 388500546 /nfs/dbraw/zinc/50/05/46/388500546.db2.gz ARNUVPNJYQSUSM-YUTCNCBUSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC000178473270 388500794 /nfs/dbraw/zinc/50/07/94/388500794.db2.gz ARNUVPNJYQSUSM-IACUBPJLSA-N 0 0 237.387 3.508 20 0 BHADRN CCc1ccccc1C(=O)N1CCC[C@H](C)CC1 ZINC000178480391 205635468 /nfs/dbraw/zinc/63/54/68/205635468.db2.gz CZKBDZVWMFDQKD-ZDUSSCGKSA-N 0 0 245.366 3.511 20 0 BHADRN CCc1ccccc1C(=O)N1CCC[C@@H](C)CC1 ZINC000178480399 385288614 /nfs/dbraw/zinc/28/86/14/385288614.db2.gz CZKBDZVWMFDQKD-CYBMUJFWSA-N 0 0 245.366 3.511 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](C)C2CC2)c1 ZINC000178481142 388500325 /nfs/dbraw/zinc/50/03/25/388500325.db2.gz QRGHMEZRONASJA-QWHCGFSZSA-N 0 0 245.366 3.527 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)[C@@H](C)C2CC2)c1 ZINC000178481155 229527688 /nfs/dbraw/zinc/52/76/88/229527688.db2.gz QRGHMEZRONASJA-STQMWFEESA-N 0 0 245.366 3.527 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)[C@H](C)C2CC2)c1 ZINC000178481170 229528521 /nfs/dbraw/zinc/52/85/21/229528521.db2.gz QRGHMEZRONASJA-CHWSQXEVSA-N 0 0 245.366 3.527 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)[C@H](C)C2CC2)c1 ZINC000178481179 388500665 /nfs/dbraw/zinc/50/06/65/388500665.db2.gz QRGHMEZRONASJA-OLZOCXBDSA-N 0 0 245.366 3.527 20 0 BHADRN CCSc1cccc(NC(=O)[C@@H](C)C2CC2)c1 ZINC000178495272 529256796 /nfs/dbraw/zinc/25/67/96/529256796.db2.gz DYPKOZZIDCEHBO-JTQLQIEISA-N 0 0 249.379 3.783 20 0 BHADRN CCSc1cccc(NC(=O)[C@H](C)C2CC2)c1 ZINC000178495287 388500860 /nfs/dbraw/zinc/50/08/60/388500860.db2.gz DYPKOZZIDCEHBO-SNVBAGLBSA-N 0 0 249.379 3.783 20 0 BHADRN Cc1cccc([C@@H](C)NC(=O)[C@@H](C)C2CC2)c1C ZINC000178497957 179180780 /nfs/dbraw/zinc/18/07/80/179180780.db2.gz YJAXTWYDZMRNQL-QWHCGFSZSA-N 0 0 245.366 3.527 20 0 BHADRN Cc1cccc([C@H](C)NC(=O)[C@@H](C)C2CC2)c1C ZINC000178497968 179194824 /nfs/dbraw/zinc/19/48/24/179194824.db2.gz YJAXTWYDZMRNQL-STQMWFEESA-N 0 0 245.366 3.527 20 0 BHADRN Cc1cccc([C@@H](C)NC(=O)[C@H](C)C2CC2)c1C ZINC000178497983 179180752 /nfs/dbraw/zinc/18/07/52/179180752.db2.gz YJAXTWYDZMRNQL-CHWSQXEVSA-N 0 0 245.366 3.527 20 0 BHADRN Cc1cccc([C@H](C)NC(=O)[C@H](C)C2CC2)c1C ZINC000178497993 179194557 /nfs/dbraw/zinc/19/45/57/179194557.db2.gz YJAXTWYDZMRNQL-OLZOCXBDSA-N 0 0 245.366 3.527 20 0 BHADRN CCC[C@@H](C)Sc1nnc(C(C)(C)C)o1 ZINC000178503828 388500919 /nfs/dbraw/zinc/50/09/19/388500919.db2.gz UXSQJVBNYXKWEU-MRVPVSSYSA-N 0 0 228.361 3.648 20 0 BHADRN CCC[C@H](C)Sc1nnc(C(C)(C)C)o1 ZINC000178503841 388500378 /nfs/dbraw/zinc/50/03/78/388500378.db2.gz UXSQJVBNYXKWEU-QMMMGPOBSA-N 0 0 228.361 3.648 20 0 BHADRN CCC[C@@H](C)Sc1nnc(OC(C)C)s1 ZINC000178505835 528902002 /nfs/dbraw/zinc/90/20/02/528902002.db2.gz PRCCAVXMGIVFSZ-MRVPVSSYSA-N 0 0 246.401 3.606 20 0 BHADRN CCC[C@H](C)Sc1nnc(OC(C)C)s1 ZINC000178505846 388500915 /nfs/dbraw/zinc/50/09/15/388500915.db2.gz PRCCAVXMGIVFSZ-QMMMGPOBSA-N 0 0 246.401 3.606 20 0 BHADRN C[C@@H]1CCN(Cc2ccncc2)c2ccccc21 ZINC000178507463 134307744 /nfs/dbraw/zinc/30/77/44/134307744.db2.gz KYLNVJIWRYAWKE-CYBMUJFWSA-N 0 0 238.334 3.595 20 0 BHADRN C[C@H]1CCN(Cc2ccncc2)c2ccccc21 ZINC000178507474 134307554 /nfs/dbraw/zinc/30/75/54/134307554.db2.gz KYLNVJIWRYAWKE-ZDUSSCGKSA-N 0 0 238.334 3.595 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](C)C2CC2)c(Cl)c1 ZINC000178509862 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Cc1cscc1-c1nc(-c2ccsc2)no1 ZINC000178627633 388502485 /nfs/dbraw/zinc/50/24/85/388502485.db2.gz JTPQTSNIXBLBHD-UHFFFAOYSA-N 0 0 248.332 3.835 20 0 BHADRN Cc1cc(C)c(-c2nc(-c3ccsc3)no2)o1 ZINC000178627728 388502618 /nfs/dbraw/zinc/50/26/18/388502618.db2.gz ZPZCGJVRRCUNSQ-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN c1cc(-c2noc(CCC3CCC3)n2)cs1 ZINC000178627751 388503315 /nfs/dbraw/zinc/50/33/15/388503315.db2.gz HUPRKHHLHIPQRX-UHFFFAOYSA-N 0 0 234.324 3.531 20 0 BHADRN Cc1cscc1-c1nc(C2CCCC2)no1 ZINC000178629456 134312075 /nfs/dbraw/zinc/31/20/75/134312075.db2.gz HYWBZRFONWZUDK-UHFFFAOYSA-N 0 0 234.324 3.764 20 0 BHADRN Cc1cc(C)c(-c2nc(C3CCCC3)no2)o1 ZINC000178629522 538953404 /nfs/dbraw/zinc/95/34/04/538953404.db2.gz BUVIHTPVMUWLAP-UHFFFAOYSA-N 0 0 232.283 3.604 20 0 BHADRN C[C@@H](CCC(=O)NCC(C)(C)C)c1ccccc1 ZINC000178630366 385306611 /nfs/dbraw/zinc/30/66/11/385306611.db2.gz JPHDSEWANFYINZ-ZDUSSCGKSA-N 0 0 247.382 3.733 20 0 BHADRN C[C@H](CCC(=O)NCC(C)(C)C)c1ccccc1 ZINC000178630378 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239.403 3.706 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H](C)C(C)C ZINC000178809697 259364328 /nfs/dbraw/zinc/36/43/28/259364328.db2.gz XHEPDICTFTXCGD-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)[C@H](C)C(C)C ZINC000178809706 259364423 /nfs/dbraw/zinc/36/44/23/259364423.db2.gz XHEPDICTFTXCGD-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN CCCC(CCC)C(=O)N(C)C1CCCC1 ZINC000178811711 388505990 /nfs/dbraw/zinc/50/59/90/388505990.db2.gz NVFSMSPJMVHQAQ-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CC1(CC(=O)N[C@H]2CC=CCC2)CCCCC1 ZINC000178816343 388506581 /nfs/dbraw/zinc/50/65/81/388506581.db2.gz GJEMRTDXOMWSHF-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN CC1(CC(=O)N[C@@H]2CC=CCC2)CCCCC1 ZINC000178816358 388506328 /nfs/dbraw/zinc/50/63/28/388506328.db2.gz GJEMRTDXOMWSHF-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN Cc1cc(CS[C@@H]2CCO[C@@H]2C)c(C)s1 ZINC000178835230 366169546 /nfs/dbraw/zinc/16/95/46/366169546.db2.gz LVFGTKDXXOYRCR-BXKDBHETSA-N 0 0 242.409 3.776 20 0 BHADRN Cc1cc(CS[C@H]2CCO[C@@H]2C)c(C)s1 ZINC000178835237 366169840 /nfs/dbraw/zinc/16/98/40/366169840.db2.gz LVFGTKDXXOYRCR-SKDRFNHKSA-N 0 0 242.409 3.776 20 0 BHADRN Cc1cc(CS[C@@H]2CCO[C@H]2C)c(C)s1 ZINC000178835247 366169687 /nfs/dbraw/zinc/16/96/87/366169687.db2.gz LVFGTKDXXOYRCR-JOYOIKCWSA-N 0 0 242.409 3.776 20 0 BHADRN Cc1cc(CS[C@H]2CCO[C@H]2C)c(C)s1 ZINC000178835254 366169853 /nfs/dbraw/zinc/16/98/53/366169853.db2.gz LVFGTKDXXOYRCR-CABZTGNLSA-N 0 0 242.409 3.776 20 0 BHADRN C[C@H]1OCC[C@H]1SCc1cccc(Cl)c1 ZINC000178843042 366169511 /nfs/dbraw/zinc/16/95/11/366169511.db2.gz WERKTPNEKSIDJC-BXKDBHETSA-N 0 0 242.771 3.751 20 0 BHADRN C[C@@H]1OCC[C@H]1SCc1cccc(Cl)c1 ZINC000178843053 366169885 /nfs/dbraw/zinc/16/98/85/366169885.db2.gz WERKTPNEKSIDJC-JOYOIKCWSA-N 0 0 242.771 3.751 20 0 BHADRN C[C@H]1OCC[C@@H]1SCc1cccc(Cl)c1 ZINC000178843061 366169866 /nfs/dbraw/zinc/16/98/66/366169866.db2.gz WERKTPNEKSIDJC-SKDRFNHKSA-N 0 0 242.771 3.751 20 0 BHADRN C[C@@H]1OCC[C@@H]1SCc1cccc(Cl)c1 ZINC000178843074 366169781 /nfs/dbraw/zinc/16/97/81/366169781.db2.gz WERKTPNEKSIDJC-CABZTGNLSA-N 0 0 242.771 3.751 20 0 BHADRN CCCCCNC(=O)C/C=C/c1ccccc1F ZINC000178843997 205644303 /nfs/dbraw/zinc/64/43/03/205644303.db2.gz RLCNAKHVISQUIE-VQHVLOKHSA-N 0 0 249.329 3.535 20 0 BHADRN C[C@@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC000178851011 385338774 /nfs/dbraw/zinc/33/87/74/385338774.db2.gz DCHYDGRKBWFTGV-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC000178851019 385338010 /nfs/dbraw/zinc/33/80/10/385338010.db2.gz DCHYDGRKBWFTGV-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1[nH]ccc1C(=O)Nc1ccc(C)cc1Cl ZINC000178857523 366172097 /nfs/dbraw/zinc/17/20/97/366172097.db2.gz REWUQIRCNURROK-UHFFFAOYSA-N 0 0 248.713 3.537 20 0 BHADRN Cc1ccccc1NCc1cnc(Cl)s1 ZINC000178858906 635749618 /nfs/dbraw/zinc/74/96/18/635749618.db2.gz JSWQLSAEJMPFTB-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1[nH]ccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000178859017 397849230 /nfs/dbraw/zinc/84/92/30/397849230.db2.gz QLJDYEPAPYLVDC-UHFFFAOYSA-N 0 0 242.322 3.699 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000178863574 366170677 /nfs/dbraw/zinc/17/06/77/366170677.db2.gz KTCVATJNKVVCPR-GFCCVEGCSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000178863584 346968126 /nfs/dbraw/zinc/96/81/26/346968126.db2.gz KTCVATJNKVVCPR-LBPRGKRZSA-N 0 0 237.387 3.602 20 0 BHADRN CC1(C)CCCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000178865011 366173063 /nfs/dbraw/zinc/17/30/63/366173063.db2.gz GAQNUYKIXPLFKH-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CC1(C)CCCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000178865024 366173706 /nfs/dbraw/zinc/17/37/06/366173706.db2.gz GAQNUYKIXPLFKH-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCCN(C(=O)[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000178870321 366173521 /nfs/dbraw/zinc/17/35/21/366173521.db2.gz YNOWBDIQLNBIBB-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCCN(C(=O)[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000178870332 366173383 /nfs/dbraw/zinc/17/33/83/366173383.db2.gz YNOWBDIQLNBIBB-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccncc1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000178876849 385423004 /nfs/dbraw/zinc/42/30/04/385423004.db2.gz FTGBUDTUCOACCB-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1ccncc1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000178876858 385422484 /nfs/dbraw/zinc/42/24/84/385422484.db2.gz FTGBUDTUCOACCB-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN c1cc(CSC2CCOCC2)cc2c1CCC2 ZINC000178878741 366174095 /nfs/dbraw/zinc/17/40/95/366174095.db2.gz RJVJYXQPOVBOJO-UHFFFAOYSA-N 0 0 248.391 3.588 20 0 BHADRN c1nc2cc(NCC3CCC3)ccc2s1 ZINC000178880936 205645270 /nfs/dbraw/zinc/64/52/70/205645270.db2.gz PMINZFYKRILHEZ-UHFFFAOYSA-N 0 0 218.325 3.508 20 0 BHADRN Cc1cc(CSC2CCOCC2)c(C)s1 ZINC000178881816 178051246 /nfs/dbraw/zinc/05/12/46/178051246.db2.gz PHYHUWDDSHPWQD-UHFFFAOYSA-N 0 0 242.409 3.777 20 0 BHADRN CCc1ccc(CSC2CCOCC2)cc1 ZINC000178881885 366175144 /nfs/dbraw/zinc/17/51/44/366175144.db2.gz YAVSQORIZQFZHX-UHFFFAOYSA-N 0 0 236.380 3.661 20 0 BHADRN Cc1cnccc1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000178893496 385424981 /nfs/dbraw/zinc/42/49/81/385424981.db2.gz YUDBSWIEMHTIAN-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1cnccc1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000178893508 179709895 /nfs/dbraw/zinc/70/98/95/179709895.db2.gz YUDBSWIEMHTIAN-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN c1ccc(-c2noc(C(C3CC3)C3CC3)n2)cc1 ZINC000178926155 388507541 /nfs/dbraw/zinc/50/75/41/388507541.db2.gz XKVJMXYQFDRBII-UHFFFAOYSA-N 0 0 240.306 3.640 20 0 BHADRN C1CC1C(c1nc(C2CCCC2)no1)C1CC1 ZINC000178926398 388507219 /nfs/dbraw/zinc/50/72/19/388507219.db2.gz DQIWWHBFILXIMS-UHFFFAOYSA-N 0 0 232.327 3.631 20 0 BHADRN CCCC(CCC)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000178931075 388507392 /nfs/dbraw/zinc/50/73/92/388507392.db2.gz HDDCMNCLYOQFCX-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCCC(CCC)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000178931088 527992808 /nfs/dbraw/zinc/99/28/08/527992808.db2.gz HDDCMNCLYOQFCX-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC(CCC)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000178931105 527993283 /nfs/dbraw/zinc/99/32/83/527993283.db2.gz HDDCMNCLYOQFCX-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC(CCC)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000178931119 388507078 /nfs/dbraw/zinc/50/70/78/388507078.db2.gz HDDCMNCLYOQFCX-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN C/C=C(\C)C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000178948528 385429800 /nfs/dbraw/zinc/42/98/00/385429800.db2.gz PFJKWWUESFZZJI-UXBLZVDNSA-N 0 0 247.338 3.729 20 0 BHADRN Fc1ccc2c(c1)[C@H](Sc1ncc[nH]1)CCC2 ZINC000178950302 534505399 /nfs/dbraw/zinc/50/53/99/534505399.db2.gz OPORKMWQDOVYPZ-GFCCVEGCSA-N 0 0 248.326 3.719 20 0 BHADRN Fc1ccc2c(c1)[C@@H](Sc1ncc[nH]1)CCC2 ZINC000178950317 534501700 /nfs/dbraw/zinc/50/17/00/534501700.db2.gz OPORKMWQDOVYPZ-LBPRGKRZSA-N 0 0 248.326 3.719 20 0 BHADRN CC1(C)CCC[C@H](C(=O)Nc2ccccc2O)C1 ZINC000178952237 366189591 /nfs/dbraw/zinc/18/95/91/366189591.db2.gz VBNJMENZIYDIBV-NSHDSACASA-N 0 0 247.338 3.547 20 0 BHADRN CC1(C)CCC[C@@H](C(=O)Nc2ccccc2O)C1 ZINC000178952243 366189307 /nfs/dbraw/zinc/18/93/07/366189307.db2.gz VBNJMENZIYDIBV-LLVKDONJSA-N 0 0 247.338 3.547 20 0 BHADRN C[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)C1CC1 ZINC000178975762 385352479 /nfs/dbraw/zinc/35/24/79/385352479.db2.gz SIJFTCDEQBUNIC-AAEUAGOBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)C1CC1 ZINC000178975772 385354206 /nfs/dbraw/zinc/35/42/06/385354206.db2.gz SIJFTCDEQBUNIC-YPMHNXCESA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)C1CC1 ZINC000178975785 385354032 /nfs/dbraw/zinc/35/40/32/385354032.db2.gz SIJFTCDEQBUNIC-WCQYABFASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)C1CC1 ZINC000178975800 205645240 /nfs/dbraw/zinc/64/52/40/205645240.db2.gz SIJFTCDEQBUNIC-DGCLKSJQSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)CC1CCC(C)(C)CC1)C1CC1 ZINC000178976072 385354261 /nfs/dbraw/zinc/35/42/61/385354261.db2.gz YDAPBNVZYHKBAR-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)CC1CCC(C)(C)CC1)C1CC1 ZINC000178976079 205644849 /nfs/dbraw/zinc/64/48/49/205644849.db2.gz YDAPBNVZYHKBAR-LLVKDONJSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(NC(=O)[C@@H]2CCCC(C)(C)C2)CCC1 ZINC000178987173 366198078 /nfs/dbraw/zinc/19/80/78/366198078.db2.gz UJATVJNHAJFOPD-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)[C@H]2CCCC(C)(C)C2)CCC1 ZINC000178987182 366198738 /nfs/dbraw/zinc/19/87/38/366198738.db2.gz UJATVJNHAJFOPD-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC(CC)NC(=O)c1cccc(C)c1Cl ZINC000178996924 168385430 /nfs/dbraw/zinc/38/54/30/168385430.db2.gz DCUCSTTZMSCDBQ-UHFFFAOYSA-N 0 0 239.746 3.567 20 0 BHADRN CC[C@H](SC)c1nc(-c2ccccc2)no1 ZINC000179001466 385432678 /nfs/dbraw/zinc/43/26/78/385432678.db2.gz SYJAZTWMAATMEH-JTQLQIEISA-N 0 0 234.324 3.551 20 0 BHADRN CC[C@@H](SC)c1nc(-c2ccccc2)no1 ZINC000179001476 170949259 /nfs/dbraw/zinc/94/92/59/170949259.db2.gz SYJAZTWMAATMEH-SNVBAGLBSA-N 0 0 234.324 3.551 20 0 BHADRN CC[C@H](SC)c1nc(C2CCCC2)no1 ZINC000179002138 134314251 /nfs/dbraw/zinc/31/42/51/134314251.db2.gz UUXWHCGQJQCYLA-VIFPVBQESA-N 0 0 226.345 3.541 20 0 BHADRN CC[C@@H](SC)c1nc(C2CCCC2)no1 ZINC000179002146 134314255 /nfs/dbraw/zinc/31/42/55/134314255.db2.gz UUXWHCGQJQCYLA-SECBINFHSA-N 0 0 226.345 3.541 20 0 BHADRN CC[C@H](SC)c1nc(-c2ccc(C)cc2)no1 ZINC000179002822 385354491 /nfs/dbraw/zinc/35/44/91/385354491.db2.gz AOOUEVOXNXVQKF-NSHDSACASA-N 0 0 248.351 3.859 20 0 BHADRN CC[C@@H](SC)c1nc(-c2ccc(C)cc2)no1 ZINC000179002834 385354324 /nfs/dbraw/zinc/35/43/24/385354324.db2.gz AOOUEVOXNXVQKF-LLVKDONJSA-N 0 0 248.351 3.859 20 0 BHADRN Cc1ccccc1CSCc1nccs1 ZINC000179010832 179287714 /nfs/dbraw/zinc/28/77/14/179287714.db2.gz TYZFMLFPPHEDIX-UHFFFAOYSA-N 0 0 235.377 3.885 20 0 BHADRN Cc1cccc(CSCc2nccs2)c1 ZINC000179010856 385356226 /nfs/dbraw/zinc/35/62/26/385356226.db2.gz PSZQBVHDCHVDHV-UHFFFAOYSA-N 0 0 235.377 3.885 20 0 BHADRN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000179015386 366199603 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CCCCC[C@@H](CC)C(=O)Nc1ccncc1 ZINC000179601468 642728259 /nfs/dbraw/zinc/72/82/59/642728259.db2.gz FOEXAASIZYJRFR-GFCCVEGCSA-N 0 0 234.343 3.627 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1ccncc1 ZINC000179601479 642729589 /nfs/dbraw/zinc/72/95/89/642729589.db2.gz FOEXAASIZYJRFR-LBPRGKRZSA-N 0 0 234.343 3.627 20 0 BHADRN Cc1ccccc1NC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000179602052 385477986 /nfs/dbraw/zinc/47/79/86/385477986.db2.gz FILGFPYIMLYLMS-WCQYABFASA-N 0 0 246.354 3.505 20 0 BHADRN Cc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000179602064 385478406 /nfs/dbraw/zinc/47/84/06/385478406.db2.gz FILGFPYIMLYLMS-DGCLKSJQSA-N 0 0 246.354 3.505 20 0 BHADRN Cc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000179602075 385478507 /nfs/dbraw/zinc/47/85/07/385478507.db2.gz FILGFPYIMLYLMS-AAEUAGOBSA-N 0 0 246.354 3.505 20 0 BHADRN Cc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000179602084 385478087 /nfs/dbraw/zinc/47/80/87/385478087.db2.gz FILGFPYIMLYLMS-YPMHNXCESA-N 0 0 246.354 3.505 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ccccn2)cc1F ZINC000179602983 366274911 /nfs/dbraw/zinc/27/49/11/366274911.db2.gz JZYBKECEKHHSMD-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccc(N[C@H](C)c2ccccn2)cc1F ZINC000179602998 366275410 /nfs/dbraw/zinc/27/54/10/366275410.db2.gz JZYBKECEKHHSMD-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)cc1 ZINC000179603550 385478447 /nfs/dbraw/zinc/47/84/47/385478447.db2.gz KSUDDYBEJXDIBR-QWHCGFSZSA-N 0 0 246.354 3.505 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000179603558 385477976 /nfs/dbraw/zinc/47/79/76/385477976.db2.gz KSUDDYBEJXDIBR-CHWSQXEVSA-N 0 0 246.354 3.505 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000179603572 385477428 /nfs/dbraw/zinc/47/74/28/385477428.db2.gz KSUDDYBEJXDIBR-STQMWFEESA-N 0 0 246.354 3.505 20 0 BHADRN Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000179603586 385477659 /nfs/dbraw/zinc/47/76/59/385477659.db2.gz KSUDDYBEJXDIBR-OLZOCXBDSA-N 0 0 246.354 3.505 20 0 BHADRN CCC1(C(=O)Nc2cc(C)ccc2O)CCCC1 ZINC000179609603 366275024 /nfs/dbraw/zinc/27/50/24/366275024.db2.gz GTTFFZPTYFTFPI-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1nccs1 ZINC000179615783 633860181 /nfs/dbraw/zinc/86/01/81/633860181.db2.gz TVRQQXRNDDZQAI-SNVBAGLBSA-N 0 0 240.372 3.688 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1nccs1 ZINC000179615799 642732945 /nfs/dbraw/zinc/73/29/45/642732945.db2.gz TVRQQXRNDDZQAI-JTQLQIEISA-N 0 0 240.372 3.688 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@H](C)CC1)C(C)C ZINC000179650156 384323302 /nfs/dbraw/zinc/32/33/02/384323302.db2.gz CAELNSIXFLREGL-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H](C(=O)N1CCC[C@H](C)CC1)C(C)C ZINC000179650166 256517325 /nfs/dbraw/zinc/51/73/25/256517325.db2.gz CAELNSIXFLREGL-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@@H](C)CC1)C(C)C ZINC000179650173 384322955 /nfs/dbraw/zinc/32/29/55/384322955.db2.gz CAELNSIXFLREGL-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H](C(=O)N1CCC[C@@H](C)CC1)C(C)C ZINC000179650186 384321825 /nfs/dbraw/zinc/32/18/25/384321825.db2.gz CAELNSIXFLREGL-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2ccco2)o1 ZINC000179670407 384325987 /nfs/dbraw/zinc/32/59/87/384325987.db2.gz RVOISRIYIYGQSW-RISCZKNCSA-N 0 0 245.322 3.628 20 0 BHADRN C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2ccco2)o1 ZINC000179670418 384324726 /nfs/dbraw/zinc/32/47/26/384324726.db2.gz RVOISRIYIYGQSW-FZMZJTMJSA-N 0 0 245.322 3.628 20 0 BHADRN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2ccco2)o1 ZINC000179670425 384324844 /nfs/dbraw/zinc/32/48/44/384324844.db2.gz RVOISRIYIYGQSW-BXUZGUMPSA-N 0 0 245.322 3.628 20 0 BHADRN C[C@H]1C[C@H]1c1ccc(CN(C)Cc2ccco2)o1 ZINC000179670434 384325724 /nfs/dbraw/zinc/32/57/24/384325724.db2.gz RVOISRIYIYGQSW-SMDDNHRTSA-N 0 0 245.322 3.628 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C)C(C)C ZINC000179683002 322819873 /nfs/dbraw/zinc/81/98/73/322819873.db2.gz LHGBTAWFKIJOJD-IHRRRGAJSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C)C(C)C ZINC000179683022 322819792 /nfs/dbraw/zinc/81/97/92/322819792.db2.gz LHGBTAWFKIJOJD-RDBSUJKOSA-N 0 0 239.403 3.706 20 0 BHADRN Fc1cccc(C2([NH2+][C@@H]3C=CCCC3)CC2)c1 ZINC000179704186 344707372 /nfs/dbraw/zinc/70/73/72/344707372.db2.gz JCJJBKDBBLXAEG-CQSZACIVSA-N 0 0 231.314 3.513 20 0 BHADRN Cc1scc(C(=O)NCCCC(C)C)c1C ZINC000179727771 346995117 /nfs/dbraw/zinc/99/51/17/346995117.db2.gz NWXDIUNUGWJWKJ-UHFFFAOYSA-N 0 0 239.384 3.531 20 0 BHADRN Cc1cnc(COc2ccccc2Cl)s1 ZINC000179729660 642742101 /nfs/dbraw/zinc/74/21/01/642742101.db2.gz RNHLETOPLCNEBQ-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN Cc1cnc(COc2ccc(Cl)cc2)s1 ZINC000179729683 642742238 /nfs/dbraw/zinc/74/22/38/642742238.db2.gz RZCJDAVXCZZAMM-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN Cc1cnc(COc2cccc(Cl)c2)s1 ZINC000179729834 642742086 /nfs/dbraw/zinc/74/20/86/642742086.db2.gz OJJYIHNTPJWXLM-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN Cc1cnc(COc2cc(C)ccc2C)s1 ZINC000179731267 642742456 /nfs/dbraw/zinc/74/24/56/642742456.db2.gz BHKWZLWQWUZTSE-UHFFFAOYSA-N 0 0 233.336 3.647 20 0 BHADRN Cc1cnc(COc2cc(C)cc(C)c2)s1 ZINC000179731281 642741641 /nfs/dbraw/zinc/74/16/41/642741641.db2.gz CAXLBKVYPYDTLL-UHFFFAOYSA-N 0 0 233.336 3.647 20 0 BHADRN Cc1cnc(CSCc2ccccc2)s1 ZINC000179731702 642742148 /nfs/dbraw/zinc/74/21/48/642742148.db2.gz FSNGTNDURABSEG-UHFFFAOYSA-N 0 0 235.377 3.885 20 0 BHADRN CC(C)N(C)C(=O)[C@@H](C)CCCc1ccccc1 ZINC000179738650 188344206 /nfs/dbraw/zinc/34/42/06/188344206.db2.gz JSMYMCOAQDPLPL-AWEZNQCLSA-N 0 0 247.382 3.512 20 0 BHADRN CC(C)N(C)C(=O)[C@H](C)CCCc1ccccc1 ZINC000179738663 188343880 /nfs/dbraw/zinc/34/38/80/188343880.db2.gz JSMYMCOAQDPLPL-CQSZACIVSA-N 0 0 247.382 3.512 20 0 BHADRN Cc1ccc2c(c1)[C@H](NC(=O)C(C)(C)C)CCC2 ZINC000179750430 134323724 /nfs/dbraw/zinc/32/37/24/134323724.db2.gz RVONDBZELVCXRC-CQSZACIVSA-N 0 0 245.366 3.535 20 0 BHADRN Cc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)C)CCC2 ZINC000179750445 134324052 /nfs/dbraw/zinc/32/40/52/134324052.db2.gz RVONDBZELVCXRC-AWEZNQCLSA-N 0 0 245.366 3.535 20 0 BHADRN CC[C@@H](C)C(=O)N[C@@H]1CCCc2ccc(C)cc21 ZINC000179752939 535463244 /nfs/dbraw/zinc/46/32/44/535463244.db2.gz NBDOQSCZXMVISH-IUODEOHRSA-N 0 0 245.366 3.535 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H]1CCCc2ccc(C)cc21 ZINC000179752955 134323868 /nfs/dbraw/zinc/32/38/68/134323868.db2.gz NBDOQSCZXMVISH-SWLSCSKDSA-N 0 0 245.366 3.535 20 0 BHADRN CC[C@@H](C)C(=O)N[C@H]1CCCc2ccc(C)cc21 ZINC000179752969 134323237 /nfs/dbraw/zinc/32/32/37/134323237.db2.gz NBDOQSCZXMVISH-DOMZBBRYSA-N 0 0 245.366 3.535 20 0 BHADRN CC[C@H](C)C(=O)N[C@H]1CCCc2ccc(C)cc21 ZINC000179752981 134323716 /nfs/dbraw/zinc/32/37/16/134323716.db2.gz NBDOQSCZXMVISH-WFASDCNBSA-N 0 0 245.366 3.535 20 0 BHADRN CCCC(=CC(=O)N(C)Cc1ccco1)CCC ZINC000179756219 632758872 /nfs/dbraw/zinc/75/88/72/632758872.db2.gz FSJUBGWQKZWABQ-UHFFFAOYSA-N 0 0 249.354 3.765 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cncc(F)c2)c(F)c1 ZINC000179769114 385381565 /nfs/dbraw/zinc/38/15/65/385381565.db2.gz KDWVERZLVAXVQQ-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)c2cncc(F)c2)c(F)c1 ZINC000179769128 205652917 /nfs/dbraw/zinc/65/29/17/205652917.db2.gz KDWVERZLVAXVQQ-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)c2cncc(F)c2)c1 ZINC000179772519 385381939 /nfs/dbraw/zinc/38/19/39/385381939.db2.gz CTFPSZYTJSENIY-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)c2cncc(F)c2)c1 ZINC000179772532 385381870 /nfs/dbraw/zinc/38/18/70/385381870.db2.gz CTFPSZYTJSENIY-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CCC1(C(=O)Nc2cccc(C)c2O)CCCC1 ZINC000179776884 538956198 /nfs/dbraw/zinc/95/61/98/538956198.db2.gz YEPRSJWPSOEJNM-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCC1CCC1 ZINC000179782721 642744966 /nfs/dbraw/zinc/74/49/66/642744966.db2.gz VVCPOHWFNAWJEX-CYBMUJFWSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCC1CCC1 ZINC000179782734 642744335 /nfs/dbraw/zinc/74/43/35/642744335.db2.gz VVCPOHWFNAWJEX-ZDUSSCGKSA-N 0 0 225.376 3.509 20 0 BHADRN CC(C)n1cc(C[N@H+](C)C2CCCCCC2)cn1 ZINC000179793906 384355910 /nfs/dbraw/zinc/35/59/10/384355910.db2.gz UTBJETSPSGFYHV-UHFFFAOYSA-N 0 0 249.402 3.619 20 0 BHADRN COc1ccc(OC(C)C)c(N[C@@H](C)C2CC2)c1 ZINC000179794829 366309800 /nfs/dbraw/zinc/30/98/00/366309800.db2.gz YAZWAHKMQYVHEZ-NSHDSACASA-N 0 0 249.354 3.693 20 0 BHADRN COc1ccc(OC(C)C)c(N[C@H](C)C2CC2)c1 ZINC000179794847 366309250 /nfs/dbraw/zinc/30/92/50/366309250.db2.gz YAZWAHKMQYVHEZ-LLVKDONJSA-N 0 0 249.354 3.693 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1ncccc1C ZINC000179826989 642749654 /nfs/dbraw/zinc/74/96/54/642749654.db2.gz XFFIYCURPQWWSW-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1ncccc1C ZINC000179827003 633872586 /nfs/dbraw/zinc/87/25/86/633872586.db2.gz XFFIYCURPQWWSW-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@@H]2CCOC2)cc1CC ZINC000179839660 366321469 /nfs/dbraw/zinc/32/14/69/366321469.db2.gz GHGARGJOGAUJEN-SWLSCSKDSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1ccc(N[C@H](C)[C@@H]2CCOC2)cc1CC ZINC000179839673 366321435 /nfs/dbraw/zinc/32/14/35/366321435.db2.gz GHGARGJOGAUJEN-IUODEOHRSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@H]2CCOC2)cc1CC ZINC000179839685 366321964 /nfs/dbraw/zinc/32/19/64/366321964.db2.gz GHGARGJOGAUJEN-WFASDCNBSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1ccc(N[C@H](C)[C@H]2CCOC2)cc1CC ZINC000179839695 366322148 /nfs/dbraw/zinc/32/21/48/366322148.db2.gz GHGARGJOGAUJEN-DOMZBBRYSA-N 0 0 247.382 3.648 20 0 BHADRN Cc1ccoc1C(=O)NCC1(C)CCCCCC1 ZINC000179849266 366323639 /nfs/dbraw/zinc/32/36/39/366323639.db2.gz XJZSBBGDEHOJEA-UHFFFAOYSA-N 0 0 249.354 3.678 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1csc(C)c1C ZINC000179851977 535643850 /nfs/dbraw/zinc/64/38/50/535643850.db2.gz HLHDYCXJMANLJO-PSASIEDQSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1csc(C)c1C ZINC000179851989 134324552 /nfs/dbraw/zinc/32/45/52/134324552.db2.gz HLHDYCXJMANLJO-WCBMZHEXSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1csc(C)c1C ZINC000179852005 134324393 /nfs/dbraw/zinc/32/43/93/134324393.db2.gz HLHDYCXJMANLJO-SCZZXKLOSA-N 0 0 239.384 3.529 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1csc(C)c1C ZINC000179852018 535941387 /nfs/dbraw/zinc/94/13/87/535941387.db2.gz HLHDYCXJMANLJO-WPRPVWTQSA-N 0 0 239.384 3.529 20 0 BHADRN Cc1occc1C(=O)NCC1(C)CCCCCC1 ZINC000179852610 366323173 /nfs/dbraw/zinc/32/31/73/366323173.db2.gz ODUTWYAXQFRUED-UHFFFAOYSA-N 0 0 249.354 3.678 20 0 BHADRN Cc1cc([C@@H](C)Nc2cnn(C)c2C)c(C)s1 ZINC000179860122 366323963 /nfs/dbraw/zinc/32/39/63/366323963.db2.gz OSGHFZWEJLNFRZ-SECBINFHSA-N 0 0 249.383 3.580 20 0 BHADRN Cc1cc([C@H](C)Nc2cnn(C)c2C)c(C)s1 ZINC000179860139 366324064 /nfs/dbraw/zinc/32/40/64/366324064.db2.gz OSGHFZWEJLNFRZ-VIFPVBQESA-N 0 0 249.383 3.580 20 0 BHADRN Cc1c(N[C@@H](C)c2ccc(Cl)cc2)cnn1C ZINC000179861390 366324613 /nfs/dbraw/zinc/32/46/13/366324613.db2.gz PWPBULKMCGUYTH-VIFPVBQESA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(N[C@H](C)c2ccc(Cl)cc2)cnn1C ZINC000179861402 366325048 /nfs/dbraw/zinc/32/50/48/366325048.db2.gz PWPBULKMCGUYTH-SECBINFHSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cccc(F)c1NC(=O)C1CCCCC1 ZINC000179865524 179108980 /nfs/dbraw/zinc/10/89/80/179108980.db2.gz MWUTWWTYFXBHLT-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1c(C)cccc1F ZINC000179865664 169352379 /nfs/dbraw/zinc/35/23/79/169352379.db2.gz AFTFLWODZZTOMT-SNVBAGLBSA-N 0 0 223.291 3.509 20 0 BHADRN CCC[C@H](C)C(=O)Nc1c(C)cccc1F ZINC000179865677 385496230 /nfs/dbraw/zinc/49/62/30/385496230.db2.gz AFTFLWODZZTOMT-JTQLQIEISA-N 0 0 223.291 3.509 20 0 BHADRN Cc1c(N[C@H](C)c2ccc(C)c(C)c2)cnn1C ZINC000179867168 347000941 /nfs/dbraw/zinc/00/09/41/347000941.db2.gz SAJBHBKPWYOTKN-GFCCVEGCSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1c(N[C@@H](C)c2ccc(C)c(C)c2)cnn1C ZINC000179867184 366325547 /nfs/dbraw/zinc/32/55/47/366325547.db2.gz SAJBHBKPWYOTKN-LBPRGKRZSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1c(N[C@@H](c2ccccc2)C(C)C)cnn1C ZINC000179867349 366326377 /nfs/dbraw/zinc/32/63/77/366326377.db2.gz NZMGOLRJDYRRHE-OAHLLOKOSA-N 0 0 243.354 3.538 20 0 BHADRN Cc1c(N[C@H](c2ccccc2)C(C)C)cnn1C ZINC000179867369 366326424 /nfs/dbraw/zinc/32/64/24/366326424.db2.gz NZMGOLRJDYRRHE-HNNXBMFYSA-N 0 0 243.354 3.538 20 0 BHADRN Cc1cccc(F)c1NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000179869089 179109663 /nfs/dbraw/zinc/10/96/63/179109663.db2.gz MMUSJPGEXZQHFJ-QYJAPNMZSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1c(N[C@@H](C)c2ccccc2Cl)cnn1C ZINC000179869287 366325666 /nfs/dbraw/zinc/32/56/66/366325666.db2.gz SZPPMFQVHUWYGU-VIFPVBQESA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(N[C@H](C)c2ccccc2Cl)cnn1C ZINC000179869302 366326388 /nfs/dbraw/zinc/32/63/88/366326388.db2.gz SZPPMFQVHUWYGU-SECBINFHSA-N 0 0 249.745 3.555 20 0 BHADRN CCC(CC)CC(=O)Nc1c(C)cccc1F ZINC000179869334 366327369 /nfs/dbraw/zinc/32/73/69/366327369.db2.gz WEWNZQICHFQVQV-UHFFFAOYSA-N 0 0 237.318 3.899 20 0 BHADRN CC[C@H](Nc1cnn(C)c1C)c1ccc(C)cc1 ZINC000179869909 347001045 /nfs/dbraw/zinc/00/10/45/347001045.db2.gz JXTMQOOAKYTIQV-AWEZNQCLSA-N 0 0 243.354 3.600 20 0 BHADRN CC[C@@H](Nc1cnn(C)c1C)c1ccc(C)cc1 ZINC000179869919 347000986 /nfs/dbraw/zinc/00/09/86/347000986.db2.gz JXTMQOOAKYTIQV-CQSZACIVSA-N 0 0 243.354 3.600 20 0 BHADRN CCc1ccc([C@@H](C)Nc2cnn(C)c2C)s1 ZINC000179869936 366327724 /nfs/dbraw/zinc/32/77/24/366327724.db2.gz GSVASSNKRZQCET-SECBINFHSA-N 0 0 249.383 3.526 20 0 BHADRN CCc1ccc([C@H](C)Nc2cnn(C)c2C)s1 ZINC000179869951 366327391 /nfs/dbraw/zinc/32/73/91/366327391.db2.gz GSVASSNKRZQCET-VIFPVBQESA-N 0 0 249.383 3.526 20 0 BHADRN CCC[C@H](Nc1cnn(C)c1C)c1ccccc1 ZINC000179871268 366328008 /nfs/dbraw/zinc/32/80/08/366328008.db2.gz IQHHMPYAPRELOM-AWEZNQCLSA-N 0 0 243.354 3.682 20 0 BHADRN CCC[C@@H](Nc1cnn(C)c1C)c1ccccc1 ZINC000179871284 366327015 /nfs/dbraw/zinc/32/70/15/366327015.db2.gz IQHHMPYAPRELOM-CQSZACIVSA-N 0 0 243.354 3.682 20 0 BHADRN Cc1cccc(F)c1NC(=O)CC1CCCC1 ZINC000179871600 179109686 /nfs/dbraw/zinc/10/96/86/179109686.db2.gz FUXHDIPONCRYAC-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN Cc1cccc(C(=O)Nc2c(C)cccc2F)c1 ZINC000179871628 366326992 /nfs/dbraw/zinc/32/69/92/366326992.db2.gz CYWANAKHNUVLQI-UHFFFAOYSA-N 0 0 243.281 3.695 20 0 BHADRN CCC(=CC(=O)Nc1c(C)cccc1F)CC ZINC000179872072 168195489 /nfs/dbraw/zinc/19/54/89/168195489.db2.gz SOLLSFSLHYFSOW-UHFFFAOYSA-N 0 0 235.302 3.819 20 0 BHADRN Cc1cccc(F)c1NC(=O)CC1=CCCCC1 ZINC000179872199 179109612 /nfs/dbraw/zinc/10/96/12/179109612.db2.gz QXNXCURTXBQSEQ-UHFFFAOYSA-N 0 0 247.313 3.963 20 0 BHADRN Cc1c(N[C@H](C)c2ccc(C)cc2C)cnn1C ZINC000179872812 366327348 /nfs/dbraw/zinc/32/73/48/366327348.db2.gz SVFARDDEKKQNKQ-GFCCVEGCSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1c(N[C@@H](C)c2ccc(C)cc2C)cnn1C ZINC000179872826 366327954 /nfs/dbraw/zinc/32/79/54/366327954.db2.gz SVFARDDEKKQNKQ-LBPRGKRZSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1c(N[C@@H](C)c2cccc(Cl)c2)cnn1C ZINC000179873153 366327111 /nfs/dbraw/zinc/32/71/11/366327111.db2.gz YELSJCMKSXQONO-VIFPVBQESA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(N[C@H](C)c2cccc(Cl)c2)cnn1C ZINC000179873166 366327812 /nfs/dbraw/zinc/32/78/12/366327812.db2.gz YELSJCMKSXQONO-SECBINFHSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(N[C@H](C)c2cc(C)cc(C)c2)cnn1C ZINC000179873304 366327591 /nfs/dbraw/zinc/32/75/91/366327591.db2.gz PVBSGEGJEUSTNL-GFCCVEGCSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1c(N[C@@H](C)c2cc(C)cc(C)c2)cnn1C ZINC000179873320 366327235 /nfs/dbraw/zinc/32/72/35/366327235.db2.gz PVBSGEGJEUSTNL-LBPRGKRZSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1c(N[C@H](C)c2cccc(C)c2C)cnn1C ZINC000179874100 366327332 /nfs/dbraw/zinc/32/73/32/366327332.db2.gz WDEQTDOCAYQMFG-GFCCVEGCSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1c(N[C@@H](C)c2cccc(C)c2C)cnn1C ZINC000179874115 366328032 /nfs/dbraw/zinc/32/80/32/366328032.db2.gz WDEQTDOCAYQMFG-LBPRGKRZSA-N 0 0 243.354 3.518 20 0 BHADRN OCc1cccc(NCCCC2CCCC2)c1 ZINC000179876374 366329477 /nfs/dbraw/zinc/32/94/77/366329477.db2.gz ADFGTJGJJBMFBK-UHFFFAOYSA-N 0 0 233.355 3.561 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1csc(C)c1C ZINC000179880091 366329509 /nfs/dbraw/zinc/32/95/09/366329509.db2.gz HIYWLIWIWVDNOX-LLVKDONJSA-N 0 0 239.384 3.673 20 0 BHADRN CCC[C@H](CC)NC(=O)c1csc(C)c1C ZINC000179880108 366329463 /nfs/dbraw/zinc/32/94/63/366329463.db2.gz HIYWLIWIWVDNOX-NSHDSACASA-N 0 0 239.384 3.673 20 0 BHADRN Cc1cnc(COc2c(C)cccc2C)s1 ZINC000179883500 642752048 /nfs/dbraw/zinc/75/20/48/642752048.db2.gz MBHPOMLPHCYEPJ-UHFFFAOYSA-N 0 0 233.336 3.647 20 0 BHADRN Cc1cnc(COc2ccc(C)c(C)c2)s1 ZINC000179883870 642752321 /nfs/dbraw/zinc/75/23/21/642752321.db2.gz LASWGJRAMBGRAL-UHFFFAOYSA-N 0 0 233.336 3.647 20 0 BHADRN CCc1ccc(OCc2ncc(C)s2)cc1 ZINC000179884131 642752506 /nfs/dbraw/zinc/75/25/06/642752506.db2.gz GKQCHGGPLHPAGE-UHFFFAOYSA-N 0 0 233.336 3.593 20 0 BHADRN CCc1cccc(OCc2ncc(C)s2)c1 ZINC000179885361 632803040 /nfs/dbraw/zinc/80/30/40/632803040.db2.gz NHZINXVDOXGRPK-UHFFFAOYSA-N 0 0 233.336 3.593 20 0 BHADRN Cc1cnc(COc2ccc3c(c2)CCC3)s1 ZINC000179885400 642752074 /nfs/dbraw/zinc/75/20/74/642752074.db2.gz KDRWERVOFOQOIC-UHFFFAOYSA-N 0 0 245.347 3.519 20 0 BHADRN Cc1ccc(SCOC(=O)C(C)(C)C)cc1 ZINC000179887528 633874672 /nfs/dbraw/zinc/87/46/72/633874672.db2.gz UHXSPWSGMZPCLH-UHFFFAOYSA-N 0 0 238.352 3.634 20 0 BHADRN Cc1cccc(F)c1NC(=O)CCC(C)C ZINC000179887968 179109578 /nfs/dbraw/zinc/10/95/78/179109578.db2.gz YJCCSOZGDIAMQQ-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CCCCCC(=O)Nc1c(C)cccc1F ZINC000179888090 385497611 /nfs/dbraw/zinc/49/76/11/385497611.db2.gz IQCQFVSYLOEZOA-UHFFFAOYSA-N 0 0 223.291 3.653 20 0 BHADRN CCCCCCC(=O)Nc1ncccc1Cl ZINC000179889624 168646230 /nfs/dbraw/zinc/64/62/30/168646230.db2.gz RZZMJTIIDXOWPY-UHFFFAOYSA-N 0 0 240.734 3.644 20 0 BHADRN Cc1cccc(SCOC(=O)C(C)(C)C)c1 ZINC000179891415 632803674 /nfs/dbraw/zinc/80/36/74/632803674.db2.gz ZIQBJAYICRRWEF-UHFFFAOYSA-N 0 0 238.352 3.634 20 0 BHADRN Cc1cc(C)c(C(=O)Nc2c(C)cccc2F)o1 ZINC000179896657 366330893 /nfs/dbraw/zinc/33/08/93/366330893.db2.gz PXVZBWVESNXCEM-UHFFFAOYSA-N 0 0 247.269 3.596 20 0 BHADRN CCC(CC)NC(=O)c1cccn1C1CCCC1 ZINC000179899203 134324662 /nfs/dbraw/zinc/32/46/62/134324662.db2.gz PCALAOVTNVYOOD-UHFFFAOYSA-N 0 0 248.370 3.522 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1c(C)cccc1F ZINC000179903698 169356887 /nfs/dbraw/zinc/35/68/87/169356887.db2.gz BOQGOCDODHCPDZ-SNVBAGLBSA-N 0 0 237.318 3.899 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1c(C)cccc1F ZINC000179903716 169479513 /nfs/dbraw/zinc/47/95/13/169479513.db2.gz BOQGOCDODHCPDZ-JTQLQIEISA-N 0 0 237.318 3.899 20 0 BHADRN CCCC(C)(C)NC(=O)c1csc(C)c1C ZINC000179905268 411371528 /nfs/dbraw/zinc/37/15/28/411371528.db2.gz QVGTULNTYZKLJA-UHFFFAOYSA-N 0 0 239.384 3.673 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000179907318 398246295 /nfs/dbraw/zinc/24/62/95/398246295.db2.gz IMVAULOXCRGRSO-CMPLNLGQSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000179907336 398246167 /nfs/dbraw/zinc/24/61/67/398246167.db2.gz IMVAULOXCRGRSO-JQWIXIFHSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000179907355 398246079 /nfs/dbraw/zinc/24/60/79/398246079.db2.gz IMVAULOXCRGRSO-ZYHUDNBSSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000179907367 398246110 /nfs/dbraw/zinc/24/61/10/398246110.db2.gz IMVAULOXCRGRSO-PWSUYJOCSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(F)c1NC(=O)C[C@@H](C)C(C)C ZINC000179908106 179110134 /nfs/dbraw/zinc/11/01/34/179110134.db2.gz BLRLKVCIUCVRBR-LLVKDONJSA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cccc(F)c1NC(=O)C[C@H](C)C(C)C ZINC000179908121 179109555 /nfs/dbraw/zinc/10/95/55/179109555.db2.gz BLRLKVCIUCVRBR-NSHDSACASA-N 0 0 237.318 3.755 20 0 BHADRN CCC(CC)CNC(=O)c1csc(C)c1C ZINC000179908686 538956639 /nfs/dbraw/zinc/95/66/39/538956639.db2.gz CTSRWCFGHJMRMZ-UHFFFAOYSA-N 0 0 239.384 3.531 20 0 BHADRN Cc1ccc(C(=O)Nc2c(C)cccc2F)cc1 ZINC000179911433 366333555 /nfs/dbraw/zinc/33/35/55/366333555.db2.gz NBOYKULYCCYVLS-UHFFFAOYSA-N 0 0 243.281 3.695 20 0 BHADRN Cc1cccc(F)c1NC(=O)c1cccc(F)c1 ZINC000179911595 366333985 /nfs/dbraw/zinc/33/39/85/366333985.db2.gz ADTVZPOVLIWZBD-UHFFFAOYSA-N 0 0 247.244 3.526 20 0 BHADRN Cc1ccccc1C(=O)Nc1c(C)cccc1F ZINC000179917668 366335094 /nfs/dbraw/zinc/33/50/94/366335094.db2.gz OAPPSSJBKVVHSQ-UHFFFAOYSA-N 0 0 243.281 3.695 20 0 BHADRN Cc1cc(C(=O)Nc2c(C)cccc2F)c(C)o1 ZINC000179917895 366335173 /nfs/dbraw/zinc/33/51/73/366335173.db2.gz PSDJBOOVLNMDQE-UHFFFAOYSA-N 0 0 247.269 3.596 20 0 BHADRN Cc1nnc(-c2cccc(N[C@@H](C)C(C)C)c2)o1 ZINC000179924154 180395892 /nfs/dbraw/zinc/39/58/92/180395892.db2.gz KCBDVSZFEIAISF-JTQLQIEISA-N 0 0 245.326 3.501 20 0 BHADRN Cc1nnc(-c2cccc(N[C@H](C)C(C)C)c2)o1 ZINC000179924169 180395820 /nfs/dbraw/zinc/39/58/20/180395820.db2.gz KCBDVSZFEIAISF-SNVBAGLBSA-N 0 0 245.326 3.501 20 0 BHADRN Cc1ccsc1C(=O)Nc1c(C)cccc1F ZINC000179924193 366334903 /nfs/dbraw/zinc/33/49/03/366334903.db2.gz TXAYNXWMVFGDHW-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN Cc1cccc(F)c1NC(=O)/C=C/C(C)(C)C ZINC000179925089 179109769 /nfs/dbraw/zinc/10/97/69/179109769.db2.gz WQENEQPSXFWRDH-CMDGGOBGSA-N 0 0 235.302 3.675 20 0 BHADRN Cc1cccc(F)c1NC(=O)C1C(C)(C)C1(C)C ZINC000179925690 366334863 /nfs/dbraw/zinc/33/48/63/366334863.db2.gz LARMFATXEUHOQQ-UHFFFAOYSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccccn2)c1F ZINC000179929266 366334891 /nfs/dbraw/zinc/33/48/91/366334891.db2.gz FBGNQNRBYMULGF-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccccn2)c1F ZINC000179929279 366334857 /nfs/dbraw/zinc/33/48/57/366334857.db2.gz FBGNQNRBYMULGF-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cccnc2)c1F ZINC000179930047 366336820 /nfs/dbraw/zinc/33/68/20/366336820.db2.gz XLCYPAAHQHGRNZ-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc(N[C@H](C)c2cccnc2)c1F ZINC000179930064 366336958 /nfs/dbraw/zinc/33/69/58/366336958.db2.gz XLCYPAAHQHGRNZ-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cncc(F)c2)c1F ZINC000179930387 385384765 /nfs/dbraw/zinc/38/47/65/385384765.db2.gz MZWSTGWTABJMCG-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cccc(N[C@H](C)c2cncc(F)c2)c1F ZINC000179930515 385384947 /nfs/dbraw/zinc/38/49/47/385384947.db2.gz MZWSTGWTABJMCG-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccncc2)c1F ZINC000179931359 366336952 /nfs/dbraw/zinc/33/69/52/366336952.db2.gz ZBYUMGUSIVCPQI-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccncc2)c1F ZINC000179931373 366336936 /nfs/dbraw/zinc/33/69/36/366336936.db2.gz ZBYUMGUSIVCPQI-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN CCn1cc([C@@H](C)Nc2cccc(C)c2F)cn1 ZINC000179932420 172194216 /nfs/dbraw/zinc/19/42/16/172194216.db2.gz DXYHCTQMMWWQNU-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1cc([C@H](C)Nc2cccc(C)c2F)cn1 ZINC000179932433 172199158 /nfs/dbraw/zinc/19/91/58/172199158.db2.gz DXYHCTQMMWWQNU-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCc1ccccc1NCc1ncc(C)s1 ZINC000179943839 385385588 /nfs/dbraw/zinc/38/55/88/385385588.db2.gz YZRHQSWBDHSZPH-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN Cc1cnc(CNc2c(C)cc(C)cc2C)s1 ZINC000179946109 385385710 /nfs/dbraw/zinc/38/57/10/385385710.db2.gz GXHONWDYLLNTGR-UHFFFAOYSA-N 0 0 246.379 3.989 20 0 BHADRN CC(C)[C@@H](C)C(=O)Oc1c(F)cccc1Cl ZINC000179946192 642757897 /nfs/dbraw/zinc/75/78/97/642757897.db2.gz QYCJRJDABKHBQE-MRVPVSSYSA-N 0 0 244.693 3.677 20 0 BHADRN CC(C)[C@H](C)C(=O)Oc1c(F)cccc1Cl ZINC000179946210 642756459 /nfs/dbraw/zinc/75/64/59/642756459.db2.gz QYCJRJDABKHBQE-QMMMGPOBSA-N 0 0 244.693 3.677 20 0 BHADRN CCc1ccc(NCc2ncc(C)s2)cc1 ZINC000179946674 205657188 /nfs/dbraw/zinc/65/71/88/205657188.db2.gz BRZOCJHKTJHSHE-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCc1cccc(C)c1NCc1ncc(C)s1 ZINC000179949427 642757626 /nfs/dbraw/zinc/75/76/26/642757626.db2.gz JQKLPKNFYVBQAH-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCc1ccoc1 ZINC000179987118 642759410 /nfs/dbraw/zinc/75/94/10/642759410.db2.gz SQRVNLAGNANUKD-CYBMUJFWSA-N 0 0 237.343 3.502 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCc1ccoc1 ZINC000179987127 642759567 /nfs/dbraw/zinc/75/95/67/642759567.db2.gz SQRVNLAGNANUKD-ZDUSSCGKSA-N 0 0 237.343 3.502 20 0 BHADRN Cc1cnc(CSCCC(C)C)s1 ZINC000179987828 642760823 /nfs/dbraw/zinc/76/08/23/642760823.db2.gz BXRQXDGAUZHFRL-UHFFFAOYSA-N 0 0 215.387 3.731 20 0 BHADRN Cc1scc(C(=O)N[C@@H](C)CC(C)C)c1C ZINC000179989682 134325432 /nfs/dbraw/zinc/32/54/32/134325432.db2.gz OEPBDTYDTGJNKX-VIFPVBQESA-N 0 0 239.384 3.529 20 0 BHADRN Cc1scc(C(=O)N[C@H](C)CC(C)C)c1C ZINC000179989699 134325350 /nfs/dbraw/zinc/32/53/50/134325350.db2.gz OEPBDTYDTGJNKX-SECBINFHSA-N 0 0 239.384 3.529 20 0 BHADRN COCCCCCSCc1ncc(C)s1 ZINC000179991153 642763021 /nfs/dbraw/zinc/76/30/21/642763021.db2.gz OCMXAEODEATDTL-UHFFFAOYSA-N 0 0 245.413 3.501 20 0 BHADRN Cc1scc(C(=O)NCCC2=CCCC2)c1C ZINC000179991164 385502387 /nfs/dbraw/zinc/50/23/87/385502387.db2.gz PWLNBMOZPQTMIS-UHFFFAOYSA-N 0 0 249.379 3.595 20 0 BHADRN CCCCCSCc1ncc(C)s1 ZINC000179991237 633148060 /nfs/dbraw/zinc/14/80/60/633148060.db2.gz KJQUBCPSRNUZAO-UHFFFAOYSA-N 0 0 215.387 3.875 20 0 BHADRN Cc1cnc(CSCCc2ccccc2)s1 ZINC000179994919 633876080 /nfs/dbraw/zinc/87/60/80/633876080.db2.gz TYOMTPCOFUXKKZ-UHFFFAOYSA-N 0 0 249.404 3.927 20 0 BHADRN CC(C)c1cnc(NCc2ccccc2)s1 ZINC000179998942 385382599 /nfs/dbraw/zinc/38/25/99/385382599.db2.gz FPKGKGDEDUPAFU-UHFFFAOYSA-N 0 0 232.352 3.879 20 0 BHADRN CC(C)c1cnc(NCc2cccs2)s1 ZINC000180001560 385382815 /nfs/dbraw/zinc/38/28/15/385382815.db2.gz WVOXBAXNRCTPOK-UHFFFAOYSA-N 0 0 238.381 3.940 20 0 BHADRN Cc1coc(-c2cccc(N[C@@H](C)C3CC3)c2)n1 ZINC000180003476 134325916 /nfs/dbraw/zinc/32/59/16/134325916.db2.gz LLNOAYYEHMMPPK-NSHDSACASA-N 0 0 242.322 3.860 20 0 BHADRN Cc1coc(-c2cccc(N[C@H](C)C3CC3)c2)n1 ZINC000180003484 134325668 /nfs/dbraw/zinc/32/56/68/134325668.db2.gz LLNOAYYEHMMPPK-LLVKDONJSA-N 0 0 242.322 3.860 20 0 BHADRN C[C@H](Nc1cccc(OCCF)c1)C1CCC1 ZINC000180003921 366353215 /nfs/dbraw/zinc/35/32/15/366353215.db2.gz GFOXTTIKGJABGS-NSHDSACASA-N 0 0 237.318 3.635 20 0 BHADRN C[C@@H](Nc1cccc(OCCF)c1)C1CCC1 ZINC000180003932 366353078 /nfs/dbraw/zinc/35/30/78/366353078.db2.gz GFOXTTIKGJABGS-LLVKDONJSA-N 0 0 237.318 3.635 20 0 BHADRN Cc1ccc(N[C@@H](C)C2CC2)cc1-c1ncco1 ZINC000180004624 385501797 /nfs/dbraw/zinc/50/17/97/385501797.db2.gz LUVUYBZFOSENQB-NSHDSACASA-N 0 0 242.322 3.860 20 0 BHADRN Cc1ccc(N[C@H](C)C2CC2)cc1-c1ncco1 ZINC000180004638 385502371 /nfs/dbraw/zinc/50/23/71/385502371.db2.gz LUVUYBZFOSENQB-LLVKDONJSA-N 0 0 242.322 3.860 20 0 BHADRN CC[C@H](NCC(F)F)C(C)(C)c1ccccc1 ZINC000180006595 541507037 /nfs/dbraw/zinc/50/70/37/541507037.db2.gz ZVRZYBANCAPLRX-LBPRGKRZSA-N 0 0 241.325 3.598 20 0 BHADRN CC[C@@H](NCC(F)F)C(C)(C)c1ccccc1 ZINC000180006612 541506155 /nfs/dbraw/zinc/50/61/55/541506155.db2.gz ZVRZYBANCAPLRX-GFCCVEGCSA-N 0 0 241.325 3.598 20 0 BHADRN COc1c(F)cc(N[C@@H](C)C2CCC2)cc1F ZINC000180007064 642762436 /nfs/dbraw/zinc/76/24/36/642762436.db2.gz CAISIFKKUMHBMC-QMMMGPOBSA-N 0 0 241.281 3.574 20 0 BHADRN COc1c(F)cc(N[C@H](C)C2CCC2)cc1F ZINC000180007077 633877165 /nfs/dbraw/zinc/87/71/65/633877165.db2.gz CAISIFKKUMHBMC-MRVPVSSYSA-N 0 0 241.281 3.574 20 0 BHADRN CC(C)c1cnc(NCc2ccsc2)s1 ZINC000180017513 385382774 /nfs/dbraw/zinc/38/27/74/385382774.db2.gz XHWCSOBBYUJINO-UHFFFAOYSA-N 0 0 238.381 3.940 20 0 BHADRN O=C(Nc1ccccc1)N[C@@H]1CC12CCCCC2 ZINC000180031384 366358320 /nfs/dbraw/zinc/35/83/20/366358320.db2.gz DGZSCCMWPUDMJV-CYBMUJFWSA-N 0 0 244.338 3.531 20 0 BHADRN O=C(Nc1ccccc1)N[C@H]1CC12CCCCC2 ZINC000180031398 366357855 /nfs/dbraw/zinc/35/78/55/366357855.db2.gz DGZSCCMWPUDMJV-ZDUSSCGKSA-N 0 0 244.338 3.531 20 0 BHADRN FC(F)COc1cccc(Cl)c1Cl ZINC000180032126 541506959 /nfs/dbraw/zinc/50/69/59/541506959.db2.gz DMVPNSXLEURSIG-UHFFFAOYSA-N 0 0 227.037 3.637 20 0 BHADRN CCC(CC)SCc1ccc(CO)cc1 ZINC000180043608 256519193 /nfs/dbraw/zinc/51/91/93/256519193.db2.gz GJWGILUMVCHVQC-UHFFFAOYSA-N 0 0 224.369 3.601 20 0 BHADRN C[C@H](C(=O)NCC1(C)CCCCCC1)C1CC1 ZINC000180045856 366364171 /nfs/dbraw/zinc/36/41/71/366364171.db2.gz WSKQYYNZNDNVIH-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H](C(=O)NCC1(C)CCCCCC1)C1CC1 ZINC000180045870 366364370 /nfs/dbraw/zinc/36/43/70/366364370.db2.gz WSKQYYNZNDNVIH-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CC(C)(C)C(=O)NCC1(C)CCCCCC1 ZINC000180047982 366364675 /nfs/dbraw/zinc/36/46/75/366364675.db2.gz BIYCIHXXLALCAO-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN C[C@H](Nc1ccc(F)cc1OC(F)F)C1CC1 ZINC000180057032 366366352 /nfs/dbraw/zinc/36/63/52/366366352.db2.gz WYTXAMIMFGKHCB-ZETCQYMHSA-N 0 0 245.244 3.638 20 0 BHADRN C[C@@H](Nc1ccc(F)cc1OC(F)F)C1CC1 ZINC000180057045 366366555 /nfs/dbraw/zinc/36/65/55/366366555.db2.gz WYTXAMIMFGKHCB-SSDOTTSWSA-N 0 0 245.244 3.638 20 0 BHADRN CC(C)(C)OCCOc1c(F)cccc1Cl ZINC000180066730 347011111 /nfs/dbraw/zinc/01/11/11/347011111.db2.gz UQDDLTVDYFAXHG-UHFFFAOYSA-N 0 0 246.709 3.673 20 0 BHADRN CCCC(C)(C)NC(=O)Cc1c(C)cccc1C ZINC000180068981 366367756 /nfs/dbraw/zinc/36/77/56/366367756.db2.gz XRZNBVNQWVCVHE-UHFFFAOYSA-N 0 0 247.382 3.541 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(C)c1cccc(C)c1 ZINC000180072613 384435281 /nfs/dbraw/zinc/43/52/81/384435281.db2.gz NSEXLSSOOQQSDM-CHWSQXEVSA-N 0 0 233.355 3.640 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)c1cccc(C)c1 ZINC000180072629 384435291 /nfs/dbraw/zinc/43/52/91/384435291.db2.gz NSEXLSSOOQQSDM-QWHCGFSZSA-N 0 0 233.355 3.640 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(C)c1cccc(C)c1 ZINC000180072643 384435175 /nfs/dbraw/zinc/43/51/75/384435175.db2.gz NSEXLSSOOQQSDM-OLZOCXBDSA-N 0 0 233.355 3.640 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)c1cccc(C)c1 ZINC000180072658 384434907 /nfs/dbraw/zinc/43/49/07/384434907.db2.gz NSEXLSSOOQQSDM-STQMWFEESA-N 0 0 233.355 3.640 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000180074058 385505850 /nfs/dbraw/zinc/50/58/50/385505850.db2.gz WKAVVQZXTWEEBL-ZYHUDNBSSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000180074073 171360747 /nfs/dbraw/zinc/36/07/47/171360747.db2.gz WKAVVQZXTWEEBL-CMPLNLGQSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000180074090 170787933 /nfs/dbraw/zinc/78/79/33/170787933.db2.gz WKAVVQZXTWEEBL-PWSUYJOCSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000180074110 171385657 /nfs/dbraw/zinc/38/56/57/171385657.db2.gz WKAVVQZXTWEEBL-JQWIXIFHSA-N 0 0 249.354 3.624 20 0 BHADRN COCCC[C@H](C)Nc1ccc(C)cc1Cl ZINC000180085558 385387563 /nfs/dbraw/zinc/38/75/63/385387563.db2.gz IDPPQHGUBLDDMC-NSHDSACASA-N 0 0 241.762 3.875 20 0 BHADRN COCCC[C@@H](C)Nc1ccc(C)cc1Cl ZINC000180085572 385387540 /nfs/dbraw/zinc/38/75/40/385387540.db2.gz IDPPQHGUBLDDMC-LLVKDONJSA-N 0 0 241.762 3.875 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)c2nccn2C)c1 ZINC000180086334 366373589 /nfs/dbraw/zinc/37/35/89/366373589.db2.gz GJMLPQZMLGFZNP-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)c2nccn2C)c1 ZINC000180086351 366373385 /nfs/dbraw/zinc/37/33/85/366373385.db2.gz GJMLPQZMLGFZNP-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN COCCC[C@H](C)Nc1cc(C)ccc1Cl ZINC000180086697 385387314 /nfs/dbraw/zinc/38/73/14/385387314.db2.gz NQSYWRXWXFYUIX-NSHDSACASA-N 0 0 241.762 3.875 20 0 BHADRN COCCC[C@@H](C)Nc1cc(C)ccc1Cl ZINC000180086719 385387057 /nfs/dbraw/zinc/38/70/57/385387057.db2.gz NQSYWRXWXFYUIX-LLVKDONJSA-N 0 0 241.762 3.875 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)c2cnccn2)c1 ZINC000180086831 366372921 /nfs/dbraw/zinc/37/29/21/366372921.db2.gz KGZDFNQWABRICT-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)c2cnccn2)c1 ZINC000180086848 366372844 /nfs/dbraw/zinc/37/28/44/366372844.db2.gz KGZDFNQWABRICT-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)c2cnn(C)c2)c1 ZINC000180086993 397855947 /nfs/dbraw/zinc/85/59/47/397855947.db2.gz XHZXBYRGYQKKMF-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)c2cnn(C)c2)c1 ZINC000180087009 397855510 /nfs/dbraw/zinc/85/55/10/397855510.db2.gz XHZXBYRGYQKKMF-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CCCN(C)C(=O)[C@@H](C)CCCc1ccccc1 ZINC000180088628 366372883 /nfs/dbraw/zinc/37/28/83/366372883.db2.gz JWYZULBEXNZFEY-AWEZNQCLSA-N 0 0 247.382 3.514 20 0 BHADRN CCCN(C)C(=O)[C@H](C)CCCc1ccccc1 ZINC000180088643 366373026 /nfs/dbraw/zinc/37/30/26/366373026.db2.gz JWYZULBEXNZFEY-CQSZACIVSA-N 0 0 247.382 3.514 20 0 BHADRN Cc1cc(CSCCCC(C)C)no1 ZINC000180092364 366373208 /nfs/dbraw/zinc/37/32/08/366373208.db2.gz OPLIWMQJDHOFGB-UHFFFAOYSA-N 0 0 213.346 3.652 20 0 BHADRN CC(C)CCCSCc1nccn1C(F)F ZINC000180092767 366373488 /nfs/dbraw/zinc/37/34/88/366373488.db2.gz NDBUPHBTRBKMNR-UHFFFAOYSA-N 0 0 248.342 3.948 20 0 BHADRN Cc1cccc(N[C@@H](C)c2nccn2C)c1Cl ZINC000180093615 347014131 /nfs/dbraw/zinc/01/41/31/347014131.db2.gz VFWDKYFVJQMYSJ-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cccc(N[C@H](C)c2nccn2C)c1Cl ZINC000180093625 366373360 /nfs/dbraw/zinc/37/33/60/366373360.db2.gz VFWDKYFVJQMYSJ-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC(C)CCCSCc1noc(C(C)C)n1 ZINC000180093951 366374585 /nfs/dbraw/zinc/37/45/85/366374585.db2.gz MDAIDDARVXGETM-UHFFFAOYSA-N 0 0 242.388 3.862 20 0 BHADRN COCCC[C@H](C)Nc1cccc(C)c1Cl ZINC000180094121 366374574 /nfs/dbraw/zinc/37/45/74/366374574.db2.gz BXQWKDIDZVPTKH-NSHDSACASA-N 0 0 241.762 3.875 20 0 BHADRN COCCC[C@@H](C)Nc1cccc(C)c1Cl ZINC000180094142 346743732 /nfs/dbraw/zinc/74/37/32/346743732.db2.gz BXQWKDIDZVPTKH-LLVKDONJSA-N 0 0 241.762 3.875 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cnccn2)c1Cl ZINC000180094257 344722580 /nfs/dbraw/zinc/72/25/80/344722580.db2.gz SHILJXDTSJLTRG-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1cccc(N[C@H](C)c2cnccn2)c1Cl ZINC000180094274 366374202 /nfs/dbraw/zinc/37/42/02/366374202.db2.gz SHILJXDTSJLTRG-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN CC(C)CCCSCc1nnc(C(C)C)o1 ZINC000180094353 366374882 /nfs/dbraw/zinc/37/48/82/366374882.db2.gz RKEGXPLJRVAYCR-UHFFFAOYSA-N 0 0 242.388 3.862 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cnn(C)c2)c1Cl ZINC000180094434 179153260 /nfs/dbraw/zinc/15/32/60/179153260.db2.gz RAFOUEXESYNIAG-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cccc(N[C@H](C)c2cnn(C)c2)c1Cl ZINC000180094450 179157892 /nfs/dbraw/zinc/15/78/92/179157892.db2.gz RAFOUEXESYNIAG-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cnc(CSCCCC(C)C)o1 ZINC000180094606 179616168 /nfs/dbraw/zinc/61/61/68/179616168.db2.gz GEUKUXGTYKZETE-UHFFFAOYSA-N 0 0 213.346 3.652 20 0 BHADRN CC(C)CCCSCc1nc(C(C)C)no1 ZINC000180097757 366374609 /nfs/dbraw/zinc/37/46/09/366374609.db2.gz WSSGKGQKXHRSGV-UHFFFAOYSA-N 0 0 242.388 3.862 20 0 BHADRN CCc1noc([C@@H](C)SCCCC(C)C)n1 ZINC000180097788 366374338 /nfs/dbraw/zinc/37/43/38/366374338.db2.gz YNICFAIGLXXTHO-SNVBAGLBSA-N 0 0 242.388 3.862 20 0 BHADRN CCc1noc([C@H](C)SCCCC(C)C)n1 ZINC000180097810 366375147 /nfs/dbraw/zinc/37/51/47/366375147.db2.gz YNICFAIGLXXTHO-JTQLQIEISA-N 0 0 242.388 3.862 20 0 BHADRN CC(C)CCCSCc1noc(C2CC2)n1 ZINC000180098687 347013617 /nfs/dbraw/zinc/01/36/17/347013617.db2.gz VIWBXTGCCVBWDM-UHFFFAOYSA-N 0 0 240.372 3.616 20 0 BHADRN Cc1noc(C)c1CSCCCC(C)C ZINC000180100800 366376295 /nfs/dbraw/zinc/37/62/95/366376295.db2.gz VJWGXDIRTGSQEA-UHFFFAOYSA-N 0 0 227.373 3.961 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000180105189 384442949 /nfs/dbraw/zinc/44/29/49/384442949.db2.gz USSGKAPPUXNRPB-UPJWGTAASA-N 0 0 233.355 3.546 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000180105209 384442076 /nfs/dbraw/zinc/44/20/76/384442076.db2.gz USSGKAPPUXNRPB-XQQFMLRXSA-N 0 0 233.355 3.546 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000180105227 384441516 /nfs/dbraw/zinc/44/15/16/384441516.db2.gz USSGKAPPUXNRPB-AGIUHOORSA-N 0 0 233.355 3.546 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000180105244 384443126 /nfs/dbraw/zinc/44/31/26/384443126.db2.gz USSGKAPPUXNRPB-AVGNSLFASA-N 0 0 233.355 3.546 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000180105528 384442924 /nfs/dbraw/zinc/44/29/24/384442924.db2.gz USSGKAPPUXNRPB-JHJVBQTASA-N 0 0 233.355 3.546 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000180105544 384441588 /nfs/dbraw/zinc/44/15/88/384441588.db2.gz USSGKAPPUXNRPB-YNEHKIRRSA-N 0 0 233.355 3.546 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000180105561 384441642 /nfs/dbraw/zinc/44/16/42/384441642.db2.gz USSGKAPPUXNRPB-FRRDWIJNSA-N 0 0 233.355 3.546 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000180105581 384441631 /nfs/dbraw/zinc/44/16/31/384441631.db2.gz USSGKAPPUXNRPB-RWMBFGLXSA-N 0 0 233.355 3.546 20 0 BHADRN Cc1nc(CSCCCC(C)C)oc1C ZINC000180105992 366376566 /nfs/dbraw/zinc/37/65/66/366376566.db2.gz DHNCZKNBMLYUGX-UHFFFAOYSA-N 0 0 227.373 3.961 20 0 BHADRN CC(C)CCCSCc1nccs1 ZINC000180108188 385387509 /nfs/dbraw/zinc/38/75/09/385387509.db2.gz TUYQRYRCWQDHQM-UHFFFAOYSA-N 0 0 215.387 3.813 20 0 BHADRN CCCCC[C@@H](CC)C(=O)OCC(C)(C)C#N ZINC000180115155 711886184 /nfs/dbraw/zinc/88/61/84/711886184.db2.gz ACQNXMLFENUHQR-GFCCVEGCSA-N 0 0 239.359 3.686 20 0 BHADRN CCCCC[C@H](CC)C(=O)OCC(C)(C)C#N ZINC000180115179 711886272 /nfs/dbraw/zinc/88/62/72/711886272.db2.gz ACQNXMLFENUHQR-LBPRGKRZSA-N 0 0 239.359 3.686 20 0 BHADRN CCCC(=CC(=O)N(C)c1cccnc1)CCC ZINC000180120801 632926012 /nfs/dbraw/zinc/92/60/12/632926012.db2.gz PYRMWJIILHYHTJ-UHFFFAOYSA-N 0 0 246.354 3.571 20 0 BHADRN CC(C)CCCSCc1ncc(Cl)n1C ZINC000180127484 633880880 /nfs/dbraw/zinc/88/08/80/633880880.db2.gz JELSXIYTGWDCTB-UHFFFAOYSA-N 0 0 246.807 3.743 20 0 BHADRN Cc1nnc([C@@H](C)SCCCC(C)C)o1 ZINC000180129688 366380905 /nfs/dbraw/zinc/38/09/05/366380905.db2.gz ZVTUHUXLNZFXHF-SECBINFHSA-N 0 0 228.361 3.608 20 0 BHADRN Cc1nnc([C@H](C)SCCCC(C)C)o1 ZINC000180129706 366381190 /nfs/dbraw/zinc/38/11/90/366381190.db2.gz ZVTUHUXLNZFXHF-VIFPVBQESA-N 0 0 228.361 3.608 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Oc1cccc(F)c1F ZINC000180132615 642772969 /nfs/dbraw/zinc/77/29/69/642772969.db2.gz HIHPZAKTABPEOY-RKDXNWHRSA-N 0 0 242.265 3.552 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Oc1cccc(F)c1F ZINC000180132634 642773151 /nfs/dbraw/zinc/77/31/51/642773151.db2.gz HIHPZAKTABPEOY-DTWKUNHWSA-N 0 0 242.265 3.552 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Oc1cccc(F)c1F ZINC000180132652 633881183 /nfs/dbraw/zinc/88/11/83/633881183.db2.gz HIHPZAKTABPEOY-BDAKNGLRSA-N 0 0 242.265 3.552 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Oc1cccc(F)c1F ZINC000180132667 633880926 /nfs/dbraw/zinc/88/09/26/633880926.db2.gz HIHPZAKTABPEOY-IUCAKERBSA-N 0 0 242.265 3.552 20 0 BHADRN CCCCC(=O)Nc1cncc(Cl)c1Cl ZINC000180138602 534956364 /nfs/dbraw/zinc/95/63/64/534956364.db2.gz CJDPZLOLZHHMLY-UHFFFAOYSA-N 0 0 247.125 3.517 20 0 BHADRN CC(C)CCCSCCCc1cn[nH]c1 ZINC000180138853 366382207 /nfs/dbraw/zinc/38/22/07/366382207.db2.gz NZJTYLGHLJFRGC-UHFFFAOYSA-N 0 0 226.389 3.512 20 0 BHADRN CCC(C)(CC)NC(=O)c1csc(C)c1C ZINC000180158795 366385718 /nfs/dbraw/zinc/38/57/18/366385718.db2.gz CJBNKJVTODNCJD-UHFFFAOYSA-N 0 0 239.384 3.673 20 0 BHADRN CCCCCC[C@@H](C)C(=O)OCC(C)(C)C#N ZINC000180183443 642778093 /nfs/dbraw/zinc/77/80/93/642778093.db2.gz LLRUFMCXUKXOHS-GFCCVEGCSA-N 0 0 239.359 3.686 20 0 BHADRN CCCCCC[C@H](C)C(=O)OCC(C)(C)C#N ZINC000180183460 642777153 /nfs/dbraw/zinc/77/71/53/642777153.db2.gz LLRUFMCXUKXOHS-LBPRGKRZSA-N 0 0 239.359 3.686 20 0 BHADRN CCC(CC)C(=O)OCc1sccc1C ZINC000180189472 642776674 /nfs/dbraw/zinc/77/66/74/642776674.db2.gz PZEVUHLBKCHAQO-UHFFFAOYSA-N 0 0 226.341 3.536 20 0 BHADRN Cc1scc(C(=O)Nc2ccsc2)c1C ZINC000180192103 366392851 /nfs/dbraw/zinc/39/28/51/366392851.db2.gz RXULQOVNVNJKJA-UHFFFAOYSA-N 0 0 237.349 3.679 20 0 BHADRN CC(C)N(C(=O)C1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000180194281 259306808 /nfs/dbraw/zinc/30/68/08/259306808.db2.gz MEXDQNITYGXSLH-STQMWFEESA-N 0 0 239.403 3.704 20 0 BHADRN CC(C)N(C(=O)C1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000180194297 259306928 /nfs/dbraw/zinc/30/69/28/259306928.db2.gz MEXDQNITYGXSLH-CHWSQXEVSA-N 0 0 239.403 3.704 20 0 BHADRN CC1(C(=O)N2CCCCCC2)CCCCCC1 ZINC000180198422 259307094 /nfs/dbraw/zinc/30/70/94/259307094.db2.gz JXPCCKFBELYDAL-UHFFFAOYSA-N 0 0 237.387 3.750 20 0 BHADRN CCCCC(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000180211616 366395755 /nfs/dbraw/zinc/39/57/55/366395755.db2.gz DQVFAWNANIDTCB-UHFFFAOYSA-N 0 0 243.709 3.632 20 0 BHADRN Cc1ccsc1COC(=O)CC(C)(C)C ZINC000180214801 633881959 /nfs/dbraw/zinc/88/19/59/633881959.db2.gz DIJGLPFIARKODJ-UHFFFAOYSA-N 0 0 226.341 3.536 20 0 BHADRN CCC(CC)NC(=O)C1(C)CCCCCC1 ZINC000180228286 259307109 /nfs/dbraw/zinc/30/71/09/259307109.db2.gz HJAWVLIBJJOKAF-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN C[C@@H]1CCCCN1C(=O)C1(C)CCCCCC1 ZINC000180254607 259306862 /nfs/dbraw/zinc/30/68/62/259306862.db2.gz VYUXUXQKLNYQDS-CYBMUJFWSA-N 0 0 237.387 3.748 20 0 BHADRN C[C@H]1CCCCN1C(=O)C1(C)CCCCCC1 ZINC000180254626 259306803 /nfs/dbraw/zinc/30/68/03/259306803.db2.gz VYUXUXQKLNYQDS-ZDUSSCGKSA-N 0 0 237.387 3.748 20 0 BHADRN CC[C@@H](C)CNc1ccc(-c2ncco2)cc1 ZINC000180258471 366404261 /nfs/dbraw/zinc/40/42/61/366404261.db2.gz NBXNOZOVWDMLAK-LLVKDONJSA-N 0 0 230.311 3.800 20 0 BHADRN CC[C@H](C)CNc1ccc(-c2ncco2)cc1 ZINC000180258488 347021128 /nfs/dbraw/zinc/02/11/28/347021128.db2.gz NBXNOZOVWDMLAK-NSHDSACASA-N 0 0 230.311 3.800 20 0 BHADRN Cc1ccc(F)cc1CN(CC(F)F)C(C)C ZINC000180281607 384453005 /nfs/dbraw/zinc/45/30/05/384453005.db2.gz QIZOVIILFAOASM-UHFFFAOYSA-N 0 0 245.288 3.610 20 0 BHADRN CCCC[C@H](CC)C(=O)OCc1ncccc1C ZINC000180295059 633007402 /nfs/dbraw/zinc/00/74/02/633007402.db2.gz GOIIGKAMVUJPJN-ZDUSSCGKSA-N 0 0 249.354 3.650 20 0 BHADRN CC[C@H](OC(=O)CC(F)(F)F)c1ccccc1 ZINC000180300207 385517563 /nfs/dbraw/zinc/51/75/63/385517563.db2.gz BTPMXOKXPVQVIR-JTQLQIEISA-N 0 0 246.228 3.633 20 0 BHADRN CC[C@@H](OC(=O)CC(F)(F)F)c1ccccc1 ZINC000180300394 347022073 /nfs/dbraw/zinc/02/20/73/347022073.db2.gz BTPMXOKXPVQVIR-SNVBAGLBSA-N 0 0 246.228 3.633 20 0 BHADRN CCC(=O)O[C@@H](C)c1sc(C(C)C)nc1C ZINC000180309559 642784600 /nfs/dbraw/zinc/78/46/00/642784600.db2.gz RFIQGQSOHQXZJA-VIFPVBQESA-N 0 0 241.356 3.589 20 0 BHADRN CCC(=O)O[C@H](C)c1sc(C(C)C)nc1C ZINC000180309577 642785070 /nfs/dbraw/zinc/78/50/70/642785070.db2.gz RFIQGQSOHQXZJA-SECBINFHSA-N 0 0 241.356 3.589 20 0 BHADRN CCC(=O)N1c2ccccc2[C@H](C)CC1(C)C ZINC000180313610 384456729 /nfs/dbraw/zinc/45/67/29/384456729.db2.gz FOLAIGZPQIBWGG-LLVKDONJSA-N 0 0 231.339 3.715 20 0 BHADRN CCC(=O)N1c2ccccc2[C@@H](C)CC1(C)C ZINC000180313628 384455695 /nfs/dbraw/zinc/45/56/95/384455695.db2.gz FOLAIGZPQIBWGG-NSHDSACASA-N 0 0 231.339 3.715 20 0 BHADRN CN(Cc1ccco1)C(=O)C1(C)CCCCCC1 ZINC000180314063 385518211 /nfs/dbraw/zinc/51/82/11/385518211.db2.gz HZQKXGDGBKEQKN-UHFFFAOYSA-N 0 0 249.354 3.599 20 0 BHADRN Cc1cccnc1COC(=O)C[C@@H](C)CC(C)C ZINC000180320281 633013329 /nfs/dbraw/zinc/01/33/29/633013329.db2.gz PUGUKVUNAFRHIM-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1cccnc1COC(=O)C[C@H](C)CC(C)C ZINC000180320290 633013529 /nfs/dbraw/zinc/01/35/29/633013529.db2.gz PUGUKVUNAFRHIM-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1cccnc1COC(=O)CCCC(C)(C)C ZINC000180322661 633012185 /nfs/dbraw/zinc/01/21/85/633012185.db2.gz CQYIPHAMNGKEJI-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN C[C@@H]1CC(C)(C)N(C(=O)C2CC2)c2ccccc21 ZINC000180322975 384457445 /nfs/dbraw/zinc/45/74/45/384457445.db2.gz AWEQEIRZEBWZBD-LLVKDONJSA-N 0 0 243.350 3.715 20 0 BHADRN C[C@H]1CC(C)(C)N(C(=O)C2CC2)c2ccccc21 ZINC000180322987 384455221 /nfs/dbraw/zinc/45/52/21/384455221.db2.gz AWEQEIRZEBWZBD-NSHDSACASA-N 0 0 243.350 3.715 20 0 BHADRN CC[C@@H](CC(=O)OCc1ncccc1C)C(C)C ZINC000180323487 642785348 /nfs/dbraw/zinc/78/53/48/642785348.db2.gz FROXSMFFHUKIQT-ZDUSSCGKSA-N 0 0 249.354 3.506 20 0 BHADRN CC[C@H](CC(=O)OCc1ncccc1C)C(C)C ZINC000180323506 642784120 /nfs/dbraw/zinc/78/41/20/642784120.db2.gz FROXSMFFHUKIQT-CYBMUJFWSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1cccnc1CSCc1ccccc1F ZINC000180329581 347023770 /nfs/dbraw/zinc/02/37/70/347023770.db2.gz ADOVEMMLGSZWDD-UHFFFAOYSA-N 0 0 247.338 3.963 20 0 BHADRN Fc1ccccc1CSCc1ccccn1 ZINC000180329601 366422579 /nfs/dbraw/zinc/42/25/79/366422579.db2.gz RHWWLQMTXVUHAA-UHFFFAOYSA-N 0 0 233.311 3.654 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000180329854 384455623 /nfs/dbraw/zinc/45/56/23/384455623.db2.gz XCHYDXBIYNCHNI-BFHYXJOUSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000180329882 384455067 /nfs/dbraw/zinc/45/50/67/384455067.db2.gz XCHYDXBIYNCHNI-MELADBBJSA-N 0 0 239.403 3.563 20 0 BHADRN Cc1cccnc1CSCc1ccc(F)cc1 ZINC000180329923 366424082 /nfs/dbraw/zinc/42/40/82/366424082.db2.gz GSVLYGASSDXCIP-UHFFFAOYSA-N 0 0 247.338 3.963 20 0 BHADRN Cc1ccc(CSCc2ccccn2)cc1 ZINC000180330074 366424264 /nfs/dbraw/zinc/42/42/64/366424264.db2.gz ZCZPAAKIEGYCEM-UHFFFAOYSA-N 0 0 229.348 3.823 20 0 BHADRN Cc1cccnc1CSCc1cccc(F)c1 ZINC000180331867 366423898 /nfs/dbraw/zinc/42/38/98/366423898.db2.gz LNROINDCVCPYMX-UHFFFAOYSA-N 0 0 247.338 3.963 20 0 BHADRN C/C=C(\C)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180334693 642784814 /nfs/dbraw/zinc/78/48/14/642784814.db2.gz BYIDEJILIQYASO-ZZXKWVIFSA-N 0 0 245.656 3.523 20 0 BHADRN Cc1cccc(CSCc2ccccn2)c1 ZINC000180336146 366425869 /nfs/dbraw/zinc/42/58/69/366425869.db2.gz UHVIWKMFZOLTCF-UHFFFAOYSA-N 0 0 229.348 3.823 20 0 BHADRN CCCCC(=O)Nc1c(F)cc(Cl)cc1F ZINC000180341639 385520162 /nfs/dbraw/zinc/52/01/62/385520162.db2.gz WHLCODODNJFXRJ-UHFFFAOYSA-N 0 0 247.672 3.747 20 0 BHADRN CC(C)=CC(=O)Nc1c(F)cc(Cl)cc1F ZINC000180343583 633885510 /nfs/dbraw/zinc/88/55/10/633885510.db2.gz NEDZPACOZMKYCO-UHFFFAOYSA-N 0 0 245.656 3.523 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCCC1(C)C ZINC000180345209 642788083 /nfs/dbraw/zinc/78/80/83/642788083.db2.gz AMIJUCVQEUYAOJ-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCCC1(C)C ZINC000180345221 633886523 /nfs/dbraw/zinc/88/65/23/633886523.db2.gz AMIJUCVQEUYAOJ-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN Cc1cccnc1COC(=O)C(C)(C)CC(C)C ZINC000180346567 642786915 /nfs/dbraw/zinc/78/69/15/642786915.db2.gz RJKGMNKFVPTPSL-UHFFFAOYSA-N 0 0 249.354 3.506 20 0 BHADRN CCCC(CCC)C(=O)OCc1ncccc1C ZINC000180365469 642789410 /nfs/dbraw/zinc/78/94/10/642789410.db2.gz VLIVEORHNJZWNW-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN CC[C@@H](C)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180366263 385519934 /nfs/dbraw/zinc/51/99/34/385519934.db2.gz FPYPMCOLVDEIRF-ZCFIWIBFSA-N 0 0 247.672 3.603 20 0 BHADRN CC[C@H](C)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180366283 171254580 /nfs/dbraw/zinc/25/45/80/171254580.db2.gz FPYPMCOLVDEIRF-LURJTMIESA-N 0 0 247.672 3.603 20 0 BHADRN CC(C)(C)C[C@H](NCc1ccco1)C(F)(F)F ZINC000180366419 259307497 /nfs/dbraw/zinc/30/74/97/259307497.db2.gz QUTCCDTVTISEDR-JTQLQIEISA-N 0 0 249.276 3.736 20 0 BHADRN CC(C)(C)C[C@@H](NCc1ccco1)C(F)(F)F ZINC000180366434 259307632 /nfs/dbraw/zinc/30/76/32/259307632.db2.gz QUTCCDTVTISEDR-SNVBAGLBSA-N 0 0 249.276 3.736 20 0 BHADRN CCSCc1ncc(Cl)cc1Cl ZINC000180366972 353388304 /nfs/dbraw/zinc/38/83/04/353388304.db2.gz HIDTVGYWYIKMLH-UHFFFAOYSA-N 0 0 222.140 3.642 20 0 BHADRN Cc1cccnc1CSCCC(C)C ZINC000180367266 366436020 /nfs/dbraw/zinc/43/60/20/366436020.db2.gz POPATLAGQPZVJL-UHFFFAOYSA-N 0 0 209.358 3.669 20 0 BHADRN COCCC[C@H](C)Nc1cccc(Cl)c1 ZINC000180372116 174265029 /nfs/dbraw/zinc/26/50/29/174265029.db2.gz ODLXWYFORMFFSC-JTQLQIEISA-N 0 0 227.735 3.567 20 0 BHADRN COCCC[C@@H](C)Nc1cccc(Cl)c1 ZINC000180372131 174261952 /nfs/dbraw/zinc/26/19/52/174261952.db2.gz ODLXWYFORMFFSC-SNVBAGLBSA-N 0 0 227.735 3.567 20 0 BHADRN CCc1cc(NCc2cccn2C)ccc1C ZINC000180372164 385389772 /nfs/dbraw/zinc/38/97/72/385389772.db2.gz PZEFSCJJGNLJKS-UHFFFAOYSA-N 0 0 228.339 3.508 20 0 BHADRN CC[C@H](Nc1cccc(Cl)c1)c1nccn1C ZINC000180372172 385519990 /nfs/dbraw/zinc/51/99/90/385519990.db2.gz SSYFVSYQWKSVEU-LBPRGKRZSA-N 0 0 249.745 3.637 20 0 BHADRN CC[C@@H](Nc1cccc(Cl)c1)c1nccn1C ZINC000180372192 347025307 /nfs/dbraw/zinc/02/53/07/347025307.db2.gz SSYFVSYQWKSVEU-GFCCVEGCSA-N 0 0 249.745 3.637 20 0 BHADRN CCC[C@H](C(=O)OCc1ncccc1C)C(C)C ZINC000180372673 633017648 /nfs/dbraw/zinc/01/76/48/633017648.db2.gz LOMSSIIEYYNBTI-ZDUSSCGKSA-N 0 0 249.354 3.506 20 0 BHADRN CCC[C@@H](C(=O)OCc1ncccc1C)C(C)C ZINC000180372690 633017755 /nfs/dbraw/zinc/01/77/55/633017755.db2.gz LOMSSIIEYYNBTI-CYBMUJFWSA-N 0 0 249.354 3.506 20 0 BHADRN CC1(C(=O)NC(C2CC2)C2CC2)CCCCCC1 ZINC000180374245 259307623 /nfs/dbraw/zinc/30/76/23/259307623.db2.gz VZWOFKVPKPBCTF-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN C/C(=C/c1ccccc1Cl)c1cnccn1 ZINC000180380702 533393485 /nfs/dbraw/zinc/39/34/85/533393485.db2.gz CJLURNREAOHEKV-NTMALXAHSA-N 0 0 230.698 3.691 20 0 BHADRN C/C(=C/c1cc(C)cc(C)c1)c1cnccn1 ZINC000180380931 259307313 /nfs/dbraw/zinc/30/73/13/259307313.db2.gz VROJGURQKVJHLM-LCYFTJDESA-N 0 0 224.307 3.654 20 0 BHADRN C/C(=C/c1ccc(C)c(C)c1)c1cnccn1 ZINC000180381121 259307247 /nfs/dbraw/zinc/30/72/47/259307247.db2.gz NYFWJDBIBUBIOQ-LCYFTJDESA-N 0 0 224.307 3.654 20 0 BHADRN CCc1ccc(/C=C(\C)c2cnccn2)cc1 ZINC000180381287 259307432 /nfs/dbraw/zinc/30/74/32/259307432.db2.gz HVESWSMGTQXSSB-ZRDIBKRKSA-N 0 0 224.307 3.600 20 0 BHADRN C/C(=C\C(C)=C/c1ccccc1)c1cnccn1 ZINC000180381742 259307316 /nfs/dbraw/zinc/30/73/16/259307316.db2.gz OVBAAAZJTMCION-FPNMECNXSA-N 0 0 236.318 3.983 20 0 BHADRN C/C(=C/c1cccc(Cl)c1)c1cnccn1 ZINC000180381793 259307441 /nfs/dbraw/zinc/30/74/41/259307441.db2.gz HARHRLXEZNDIBN-YFHOEESVSA-N 0 0 230.698 3.691 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1cnccc1C ZINC000180409390 642792470 /nfs/dbraw/zinc/79/24/70/642792470.db2.gz BWNNMEYSAPNMAO-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1cnccc1C ZINC000180409407 642792085 /nfs/dbraw/zinc/79/20/85/642792085.db2.gz BWNNMEYSAPNMAO-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN Cc1cccnc1CSCCc1ccccc1 ZINC000180411152 366448619 /nfs/dbraw/zinc/44/86/19/366448619.db2.gz OQBPEHMBKLSOPN-UHFFFAOYSA-N 0 0 243.375 3.866 20 0 BHADRN c1ccc(CCSCc2ccccn2)cc1 ZINC000180411200 366448660 /nfs/dbraw/zinc/44/86/60/366448660.db2.gz KZVYIIXVDQMLGI-UHFFFAOYSA-N 0 0 229.348 3.558 20 0 BHADRN Cc1cnc(C[N@@H+](C)C2CCCCCC2)s1 ZINC000180412137 134327068 /nfs/dbraw/zinc/32/70/68/134327068.db2.gz MEKXIHGUDYYKCA-UHFFFAOYSA-N 0 0 238.400 3.606 20 0 BHADRN Cc1cnc(CN(C)[C@@H](C)c2ccccc2)s1 ZINC000180417201 385521646 /nfs/dbraw/zinc/52/16/46/385521646.db2.gz KZDHJTNEOUKQBL-LBPRGKRZSA-N 0 0 246.379 3.645 20 0 BHADRN Cc1cnc(CN(C)[C@H](C)c2ccccc2)s1 ZINC000180417221 385521429 /nfs/dbraw/zinc/52/14/29/385521429.db2.gz KZDHJTNEOUKQBL-GFCCVEGCSA-N 0 0 246.379 3.645 20 0 BHADRN CC[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000180419981 134327074 /nfs/dbraw/zinc/32/70/74/134327074.db2.gz OXXQQOMSEWZHGZ-UHFFFAOYSA-N 0 0 231.295 3.524 20 0 BHADRN C[N@H+](Cc1ccc(Oc2ccccc2)o1)C1CC1 ZINC000180421169 134327122 /nfs/dbraw/zinc/32/71/22/134327122.db2.gz WQZPJJUROJDJLB-UHFFFAOYSA-N 0 0 243.306 3.666 20 0 BHADRN Cc1ccccc1CSCCCn1ccnc1 ZINC000180427371 179287816 /nfs/dbraw/zinc/28/78/16/179287816.db2.gz STOPPBNIZIYXAI-UHFFFAOYSA-N 0 0 246.379 3.515 20 0 BHADRN c1ccc(CSCC2CCCC2)nc1 ZINC000180427419 183407367 /nfs/dbraw/zinc/40/73/67/183407367.db2.gz ITQSWAYMSFDFJW-UHFFFAOYSA-N 0 0 207.342 3.505 20 0 BHADRN CC(C)(C)C(=O)OCSC1CCCCC1 ZINC000180428417 633888670 /nfs/dbraw/zinc/88/86/70/633888670.db2.gz BZCIDIZPWHABBI-UHFFFAOYSA-N 0 0 230.373 3.599 20 0 BHADRN CCCCN(C)C(=O)C1(C)CCCCCC1 ZINC000180428899 384467612 /nfs/dbraw/zinc/46/76/12/384467612.db2.gz WRDITWBEFTYOCK-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN Cc1ccc(SCCCn2ccnc2)cc1C ZINC000180430617 134327026 /nfs/dbraw/zinc/32/70/26/134327026.db2.gz YEAGFQJESVGZJW-UHFFFAOYSA-N 0 0 246.379 3.682 20 0 BHADRN Cc1ccc(C)c(SCCCn2ccnc2)c1 ZINC000180430825 134327129 /nfs/dbraw/zinc/32/71/29/134327129.db2.gz VLXARJGPVBHFST-UHFFFAOYSA-N 0 0 246.379 3.682 20 0 BHADRN Cc1ccc(SCCCn2ccnc2)c(C)c1 ZINC000180430854 134327183 /nfs/dbraw/zinc/32/71/83/134327183.db2.gz QZTQCVKCNCRLHP-UHFFFAOYSA-N 0 0 246.379 3.682 20 0 BHADRN FC(F)COc1c(Cl)cccc1Cl ZINC000180430878 538066341 /nfs/dbraw/zinc/06/63/41/538066341.db2.gz RWBMKTOHGFQJLP-UHFFFAOYSA-N 0 0 227.037 3.637 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@@H](C)[C@@H](C)CC)C1 ZINC000180431619 256520109 /nfs/dbraw/zinc/52/01/09/256520109.db2.gz POLIRVDNKKOQAH-MELADBBJSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@H](C)[C@@H](C)CC)C1 ZINC000180431657 384466117 /nfs/dbraw/zinc/46/61/17/384466117.db2.gz POLIRVDNKKOQAH-BFHYXJOUSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)C[N@H+](CC)Cc1ncc(C)s1 ZINC000180431925 347028595 /nfs/dbraw/zinc/02/85/95/347028595.db2.gz RVKLOGSSUFHKLK-UHFFFAOYSA-N 0 0 240.416 3.710 20 0 BHADRN Cc1cnc(CN2C[C@H](C)c3ccccc32)s1 ZINC000180433257 134326937 /nfs/dbraw/zinc/32/69/37/134326937.db2.gz KFPDFMZCFKRPSK-JTQLQIEISA-N 0 0 244.363 3.575 20 0 BHADRN Cc1cnc(CN2C[C@@H](C)c3ccccc32)s1 ZINC000180433279 134327245 /nfs/dbraw/zinc/32/72/45/134327245.db2.gz KFPDFMZCFKRPSK-SNVBAGLBSA-N 0 0 244.363 3.575 20 0 BHADRN CC[N@H+](Cc1ncc(C)s1)C1CCCCC1 ZINC000180433498 347028379 /nfs/dbraw/zinc/02/83/79/347028379.db2.gz NXPBAVYBMZCOGI-UHFFFAOYSA-N 0 0 238.400 3.606 20 0 BHADRN CC(=O)Nc1ccccc1NCC1CCCCC1 ZINC000180436417 385523785 /nfs/dbraw/zinc/52/37/85/385523785.db2.gz VJVBQLMSYYTICU-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CC(=O)CSCC1CCC(C)(C)CC1 ZINC000180438063 366454433 /nfs/dbraw/zinc/45/44/33/366454433.db2.gz FVXHHWBSSBTOKU-UHFFFAOYSA-N 0 0 214.374 3.525 20 0 BHADRN Cc1cnc(CN(C)c2ccc(C)cc2C)s1 ZINC000180442059 633026122 /nfs/dbraw/zinc/02/61/22/633026122.db2.gz NNFCYYGBKITGSD-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN CC[C@@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C ZINC000180442417 384468139 /nfs/dbraw/zinc/46/81/39/384468139.db2.gz KDKQARPZOJYXAE-CYBMUJFWSA-N 0 0 247.382 3.860 20 0 BHADRN CC[C@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C ZINC000180442435 256520420 /nfs/dbraw/zinc/52/04/20/256520420.db2.gz KDKQARPZOJYXAE-ZDUSSCGKSA-N 0 0 247.382 3.860 20 0 BHADRN Cc1cnc(CN(C)c2cc(C)ccc2C)s1 ZINC000180442551 134327606 /nfs/dbraw/zinc/32/76/06/134327606.db2.gz HRXZNXFSOQOREB-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN Cc1cnc(CN(C)c2cccc(C)c2C)s1 ZINC000180442579 134327837 /nfs/dbraw/zinc/32/78/37/134327837.db2.gz FKZPSGBGRKELBQ-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN Cc1cnc(CN(C)c2cc(C)cc(C)c2)s1 ZINC000180442621 134327739 /nfs/dbraw/zinc/32/77/39/134327739.db2.gz IYDXSOQOAONVFP-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN Cc1cccnc1CSCC1CCCC1 ZINC000180464705 366457188 /nfs/dbraw/zinc/45/71/88/366457188.db2.gz ZWOSGPBYXJNIFS-UHFFFAOYSA-N 0 0 221.369 3.813 20 0 BHADRN CN(C(=O)C1(C)CCCCCC1)C1CCCC1 ZINC000180471099 384466257 /nfs/dbraw/zinc/46/62/57/384466257.db2.gz HUGOHLAQJKKDCJ-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CCCC(=O)Nc1cc(CC)nc2ccccc21 ZINC000180472254 384467861 /nfs/dbraw/zinc/46/78/61/384467861.db2.gz HTAABKHDVHNHPX-UHFFFAOYSA-N 0 0 242.322 3.536 20 0 BHADRN C[C@@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC000180480943 384469904 /nfs/dbraw/zinc/46/99/04/384469904.db2.gz DVXQBCARVVHPEB-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC000180480962 384468999 /nfs/dbraw/zinc/46/89/99/384468999.db2.gz DVXQBCARVVHPEB-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CC1CCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000180486632 256520054 /nfs/dbraw/zinc/52/00/54/256520054.db2.gz DJRHMRUAWFKUAH-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@@H](C)N(C(=O)C[C@H]1C=CCC1)[C@@H](C)CC ZINC000180510498 384469870 /nfs/dbraw/zinc/46/98/70/384469870.db2.gz ATUPMYDCNKITET-MJBXVCDLSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@H](C)N(C(=O)C[C@H]1C=CCC1)[C@@H](C)CC ZINC000180510521 256520112 /nfs/dbraw/zinc/52/01/12/256520112.db2.gz ATUPMYDCNKITET-IHRRRGAJSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@@H](C)N(C(=O)c1ccsc1)[C@@H](C)CC ZINC000180511182 171300976 /nfs/dbraw/zinc/30/09/76/171300976.db2.gz RKTURJADPIVZGW-PHIMTYICSA-N 0 0 239.384 3.787 20 0 BHADRN CC[C@H](C)N(C(=O)c1ccsc1)[C@@H](C)CC ZINC000180511199 171301419 /nfs/dbraw/zinc/30/14/19/171301419.db2.gz RKTURJADPIVZGW-QWRGUYRKSA-N 0 0 239.384 3.787 20 0 BHADRN CC[C@@H](C)N(C(=O)c1ccsc1)[C@H](C)CC ZINC000180511214 385527632 /nfs/dbraw/zinc/52/76/32/385527632.db2.gz RKTURJADPIVZGW-GHMZBOCLSA-N 0 0 239.384 3.787 20 0 BHADRN CC[C@@H](C)N(C(=O)c1occc1C)[C@@H](C)CC ZINC000180511605 171300855 /nfs/dbraw/zinc/30/08/55/171300855.db2.gz CVDCTDWLKQKWGM-TXEJJXNPSA-N 0 0 237.343 3.627 20 0 BHADRN CC[C@H](C)N(C(=O)c1occc1C)[C@@H](C)CC ZINC000180511621 171300762 /nfs/dbraw/zinc/30/07/62/171300762.db2.gz CVDCTDWLKQKWGM-RYUDHWBXSA-N 0 0 237.343 3.627 20 0 BHADRN CC[C@@H](C)N(C(=O)c1occc1C)[C@H](C)CC ZINC000180511637 385527197 /nfs/dbraw/zinc/52/71/97/385527197.db2.gz CVDCTDWLKQKWGM-VXGBXAGGSA-N 0 0 237.343 3.627 20 0 BHADRN C/C=C/C=C/C(=O)N([C@H](C)CC)[C@@H](C)CC ZINC000180513579 633893730 /nfs/dbraw/zinc/89/37/30/633893730.db2.gz HZATWZTWUATJHE-CTVOYEQUSA-N 0 0 223.360 3.544 20 0 BHADRN C/C=C/C=C/C(=O)N([C@H](C)CC)[C@H](C)CC ZINC000180513613 642801182 /nfs/dbraw/zinc/80/11/82/642801182.db2.gz HZATWZTWUATJHE-AWJLYMMWSA-N 0 0 223.360 3.544 20 0 BHADRN CCCCC[S@@](=O)Cc1cc(C)sc1C ZINC000180519177 385526900 /nfs/dbraw/zinc/52/69/00/385526900.db2.gz NZQNAYUDVYMULH-OAHLLOKOSA-N 0 0 244.425 3.804 20 0 BHADRN CCCCC[S@](=O)Cc1cc(C)sc1C ZINC000180519319 385527949 /nfs/dbraw/zinc/52/79/49/385527949.db2.gz NZQNAYUDVYMULH-HNNXBMFYSA-N 0 0 244.425 3.804 20 0 BHADRN CCCCC[S@@](=O)[C@@H](C)c1ccccc1 ZINC000180519630 385527783 /nfs/dbraw/zinc/52/77/83/385527783.db2.gz VTJUNCDXZOTPCI-SWLSCSKDSA-N 0 0 224.369 3.687 20 0 BHADRN CCCCC[S@](=O)[C@@H](C)c1ccccc1 ZINC000180519647 385527265 /nfs/dbraw/zinc/52/72/65/385527265.db2.gz VTJUNCDXZOTPCI-WFASDCNBSA-N 0 0 224.369 3.687 20 0 BHADRN CCCCC[S@@](=O)[C@H](C)c1ccccc1 ZINC000180519664 385527577 /nfs/dbraw/zinc/52/75/77/385527577.db2.gz VTJUNCDXZOTPCI-IUODEOHRSA-N 0 0 224.369 3.687 20 0 BHADRN CCCCC[S@](=O)[C@H](C)c1ccccc1 ZINC000180519682 168747397 /nfs/dbraw/zinc/74/73/97/168747397.db2.gz VTJUNCDXZOTPCI-DOMZBBRYSA-N 0 0 224.369 3.687 20 0 BHADRN CC[C@@H](C)N(C(=O)[C@H]1CC=CCC1)[C@@H](C)CC ZINC000180520261 384472598 /nfs/dbraw/zinc/47/25/98/384472598.db2.gz WZBZMTNLXSPTHZ-MJBXVCDLSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@H](C)N(C(=O)[C@H]1CC=CCC1)[C@@H](C)CC ZINC000180520282 256520891 /nfs/dbraw/zinc/52/08/91/256520891.db2.gz WZBZMTNLXSPTHZ-IHRRRGAJSA-N 0 0 237.387 3.768 20 0 BHADRN CCCCC[S@@](=O)Cc1cc(C)ccc1C ZINC000180521656 385526654 /nfs/dbraw/zinc/52/66/54/385526654.db2.gz YOOOJRWIIRCKHJ-MRXNPFEDSA-N 0 0 238.396 3.742 20 0 BHADRN CCCCC[S@](=O)Cc1cc(C)ccc1C ZINC000180521677 385527628 /nfs/dbraw/zinc/52/76/28/385527628.db2.gz YOOOJRWIIRCKHJ-INIZCTEOSA-N 0 0 238.396 3.742 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1ccncc1C ZINC000180527603 711888388 /nfs/dbraw/zinc/88/83/88/711888388.db2.gz WKVGUULQDJGUPE-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1ccncc1C ZINC000180527619 711888541 /nfs/dbraw/zinc/88/85/41/711888541.db2.gz WKVGUULQDJGUPE-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[S@@](=O)[C@@H](C)c1ccccc1F ZINC000180542903 366500046 /nfs/dbraw/zinc/50/00/46/366500046.db2.gz QASAPHLSGZUVOA-MEDUHNTESA-N 0 0 242.359 3.826 20 0 BHADRN CCCCC[S@](=O)[C@@H](C)c1ccccc1F ZINC000180542924 366500059 /nfs/dbraw/zinc/50/00/59/366500059.db2.gz QASAPHLSGZUVOA-ZBEGNZNMSA-N 0 0 242.359 3.826 20 0 BHADRN CCCCC[S@@](=O)[C@H](C)c1ccccc1F ZINC000180542938 366500028 /nfs/dbraw/zinc/50/00/28/366500028.db2.gz QASAPHLSGZUVOA-BDJLRTHQSA-N 0 0 242.359 3.826 20 0 BHADRN CCCCC[S@](=O)[C@H](C)c1ccccc1F ZINC000180542958 366500020 /nfs/dbraw/zinc/50/00/20/366500020.db2.gz QASAPHLSGZUVOA-BZNIZROVSA-N 0 0 242.359 3.826 20 0 BHADRN CCCCC[S@@](=O)Cc1ccc(Cl)cc1 ZINC000180543631 385529191 /nfs/dbraw/zinc/52/91/91/385529191.db2.gz TXONYFWFDAQBBN-OAHLLOKOSA-N 0 0 244.787 3.779 20 0 BHADRN CCCCC[S@](=O)Cc1ccc(Cl)cc1 ZINC000180543649 385529101 /nfs/dbraw/zinc/52/91/01/385529101.db2.gz TXONYFWFDAQBBN-HNNXBMFYSA-N 0 0 244.787 3.779 20 0 BHADRN CCCCC[S@@](=O)Cc1cccc(Cl)c1 ZINC000180543674 385529689 /nfs/dbraw/zinc/52/96/89/385529689.db2.gz QAGWFKPZZIFCPM-OAHLLOKOSA-N 0 0 244.787 3.779 20 0 BHADRN CCCCC[S@](=O)Cc1cccc(Cl)c1 ZINC000180543687 385529332 /nfs/dbraw/zinc/52/93/32/385529332.db2.gz QAGWFKPZZIFCPM-HNNXBMFYSA-N 0 0 244.787 3.779 20 0 BHADRN CCCCC[S@@](=O)Cc1cc(C)cc(C)c1 ZINC000180547695 366504340 /nfs/dbraw/zinc/50/43/40/366504340.db2.gz RZJMOZWVTIDLSF-MRXNPFEDSA-N 0 0 238.396 3.742 20 0 BHADRN CCCCC[S@](=O)Cc1cc(C)cc(C)c1 ZINC000180547714 366503639 /nfs/dbraw/zinc/50/36/39/366503639.db2.gz RZJMOZWVTIDLSF-INIZCTEOSA-N 0 0 238.396 3.742 20 0 BHADRN CCCCC[S@@](=O)CCCc1ccccc1 ZINC000180549282 385528984 /nfs/dbraw/zinc/52/89/84/385528984.db2.gz IIIJNTBLSFBTDS-MRXNPFEDSA-N 0 0 238.396 3.558 20 0 BHADRN CCCCC[S@](=O)CCCc1ccccc1 ZINC000180549296 385529201 /nfs/dbraw/zinc/52/92/01/385529201.db2.gz IIIJNTBLSFBTDS-INIZCTEOSA-N 0 0 238.396 3.558 20 0 BHADRN CCCCC[S@@](=O)[C@@H](C)c1cccc(C)c1 ZINC000180558456 385528427 /nfs/dbraw/zinc/52/84/27/385528427.db2.gz NSIBHXWJKMUEDR-XJKSGUPXSA-N 0 0 238.396 3.995 20 0 BHADRN CCCCC[S@](=O)[C@@H](C)c1cccc(C)c1 ZINC000180558469 385528764 /nfs/dbraw/zinc/52/87/64/385528764.db2.gz NSIBHXWJKMUEDR-BBRMVZONSA-N 0 0 238.396 3.995 20 0 BHADRN CCCCC[S@@](=O)[C@H](C)c1cccc(C)c1 ZINC000180558490 385528378 /nfs/dbraw/zinc/52/83/78/385528378.db2.gz NSIBHXWJKMUEDR-CZUORRHYSA-N 0 0 238.396 3.995 20 0 BHADRN CCCCC[S@](=O)[C@H](C)c1cccc(C)c1 ZINC000180558506 385529060 /nfs/dbraw/zinc/52/90/60/385529060.db2.gz NSIBHXWJKMUEDR-CJNGLKHVSA-N 0 0 238.396 3.995 20 0 BHADRN CCN(Cc1ncc(C)s1)c1ccccc1C ZINC000180559287 134329857 /nfs/dbraw/zinc/32/98/57/134329857.db2.gz BCPYXOSLLGSCKB-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CC(C)(C)CNC(=O)C1(C)CCCCCC1 ZINC000180563755 256520874 /nfs/dbraw/zinc/52/08/74/256520874.db2.gz RSRGRWDGGLXPGL-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000180604933 322827265 /nfs/dbraw/zinc/82/72/65/322827265.db2.gz ZPMFGNHHUBPMSB-YNEHKIRRSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000180604967 322827236 /nfs/dbraw/zinc/82/72/36/322827236.db2.gz ZPMFGNHHUBPMSB-RWMBFGLXSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)CN(CC(C)(C)C)C(=O)C1CCC1 ZINC000180609661 366521471 /nfs/dbraw/zinc/52/14/71/366521471.db2.gz NCGPLQBFLSKMPV-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H](CC)CC1 ZINC000180616008 322827235 /nfs/dbraw/zinc/82/72/35/322827235.db2.gz KOOWOIUNRKRSPM-MELADBBJSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@@H](CC)CC1 ZINC000180616042 322827317 /nfs/dbraw/zinc/82/73/17/322827317.db2.gz KOOWOIUNRKRSPM-BFHYXJOUSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCCSC[C@H](O)c1ccccc1F ZINC000180617515 633036895 /nfs/dbraw/zinc/03/68/95/633036895.db2.gz HJZXNTXWCQQTAB-ZDUSSCGKSA-N 0 0 242.359 3.783 20 0 BHADRN CCCCCSC[C@@H](O)c1ccccc1F ZINC000180617529 633037522 /nfs/dbraw/zinc/03/75/22/633037522.db2.gz HJZXNTXWCQQTAB-CYBMUJFWSA-N 0 0 242.359 3.783 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(C)c1F ZINC000180618178 384486901 /nfs/dbraw/zinc/48/69/01/384486901.db2.gz GOUYZHXQCXEQJE-MWLCHTKSSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(C)c1F ZINC000180618194 322827273 /nfs/dbraw/zinc/82/72/73/322827273.db2.gz GOUYZHXQCXEQJE-GXSJLCMTSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(C)c1F ZINC000180618213 384486888 /nfs/dbraw/zinc/48/68/88/384486888.db2.gz GOUYZHXQCXEQJE-KOLCDFICSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cccc(C)c1F ZINC000180618233 322827340 /nfs/dbraw/zinc/82/73/40/322827340.db2.gz GOUYZHXQCXEQJE-ONGXEEELSA-N 0 0 237.318 3.755 20 0 BHADRN CCCCCSC[C@H](O)c1ccc(F)cc1 ZINC000180618330 642802813 /nfs/dbraw/zinc/80/28/13/642802813.db2.gz MLIZSAFIJXOUCB-ZDUSSCGKSA-N 0 0 242.359 3.783 20 0 BHADRN CCCCCSC[C@@H](O)c1ccc(F)cc1 ZINC000180618350 633896475 /nfs/dbraw/zinc/89/64/75/633896475.db2.gz MLIZSAFIJXOUCB-CYBMUJFWSA-N 0 0 242.359 3.783 20 0 BHADRN CC(C)C(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000180618939 366522987 /nfs/dbraw/zinc/52/29/87/366522987.db2.gz WIWLYOPPNJRMOW-UHFFFAOYSA-N 0 0 227.392 3.563 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000180619227 322827237 /nfs/dbraw/zinc/82/72/37/322827237.db2.gz RRNWTJHTYMWEFP-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000180619266 384487238 /nfs/dbraw/zinc/48/72/38/384487238.db2.gz RRNWTJHTYMWEFP-MELADBBJSA-N 0 0 239.403 3.706 20 0 BHADRN CCCC(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000180622409 366523200 /nfs/dbraw/zinc/52/32/00/366523200.db2.gz GOADHGZTHQPTLI-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN CCSc1ccccc1OCc1ccccn1 ZINC000180626864 366525134 /nfs/dbraw/zinc/52/51/34/366525134.db2.gz HMGRRCNVPWONDA-UHFFFAOYSA-N 0 0 245.347 3.773 20 0 BHADRN CC(C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000180643360 384493413 /nfs/dbraw/zinc/49/34/13/384493413.db2.gz FJSXHRWCDMSGSG-HNNXBMFYSA-N 0 0 245.366 3.690 20 0 BHADRN CC(C)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000180643378 322827745 /nfs/dbraw/zinc/82/77/45/322827745.db2.gz FJSXHRWCDMSGSG-OAHLLOKOSA-N 0 0 245.366 3.690 20 0 BHADRN CCCC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000180647143 384492761 /nfs/dbraw/zinc/49/27/61/384492761.db2.gz YHFOTAZDZRNXMR-HNNXBMFYSA-N 0 0 245.366 3.834 20 0 BHADRN CCCC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000180647161 322828014 /nfs/dbraw/zinc/82/80/14/322828014.db2.gz YHFOTAZDZRNXMR-OAHLLOKOSA-N 0 0 245.366 3.834 20 0 BHADRN Cc1cscc1C(=O)N[C@@H]1CC12CCCCC2 ZINC000180654174 179802759 /nfs/dbraw/zinc/80/27/59/179802759.db2.gz FVHYAALNFCYYFM-GFCCVEGCSA-N 0 0 249.379 3.509 20 0 BHADRN Cc1cscc1C(=O)N[C@H]1CC12CCCCC2 ZINC000180654196 179804570 /nfs/dbraw/zinc/80/45/70/179804570.db2.gz FVHYAALNFCYYFM-LBPRGKRZSA-N 0 0 249.379 3.509 20 0 BHADRN Cc1ccsc1C(=O)N[C@@H]1CC12CCCCC2 ZINC000180661981 179537659 /nfs/dbraw/zinc/53/76/59/179537659.db2.gz XGRMQZUGUGTPMJ-LLVKDONJSA-N 0 0 249.379 3.509 20 0 BHADRN Cc1ccsc1C(=O)N[C@H]1CC12CCCCC2 ZINC000180662000 179540234 /nfs/dbraw/zinc/54/02/34/179540234.db2.gz XGRMQZUGUGTPMJ-NSHDSACASA-N 0 0 249.379 3.509 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC12CCCCC2)CC ZINC000180663414 633041196 /nfs/dbraw/zinc/04/11/96/633041196.db2.gz CTSKZQNSMOCUSG-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN CCC(=CC(=O)N[C@H]1CC12CCCCC2)CC ZINC000180663434 633041556 /nfs/dbraw/zinc/04/15/56/633041556.db2.gz CTSKZQNSMOCUSG-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN Cc1ccc(N(C)Cc2ccc(C#N)s2)cc1 ZINC000180664514 642805512 /nfs/dbraw/zinc/80/55/12/642805512.db2.gz RWBIXHJAPUPJTD-UHFFFAOYSA-N 0 0 242.347 3.565 20 0 BHADRN Cc1ccc(N(C)Cc2cc(C#N)cs2)cc1 ZINC000180665228 633898478 /nfs/dbraw/zinc/89/84/78/633898478.db2.gz OOGRXDOXVHPYDA-UHFFFAOYSA-N 0 0 242.347 3.565 20 0 BHADRN C[C@@H]1CCN(Cc2cncs2)c2ccccc21 ZINC000180672863 134330698 /nfs/dbraw/zinc/33/06/98/134330698.db2.gz BOJONPKVMQYOGR-LLVKDONJSA-N 0 0 244.363 3.657 20 0 BHADRN C[C@H]1CCN(Cc2cncs2)c2ccccc21 ZINC000180672878 134330433 /nfs/dbraw/zinc/33/04/33/134330433.db2.gz BOJONPKVMQYOGR-NSHDSACASA-N 0 0 244.363 3.657 20 0 BHADRN CNc1ccccc1Nc1ccc(F)cc1F ZINC000180674114 322828078 /nfs/dbraw/zinc/82/80/78/322828078.db2.gz CRDQHMSXKXAKEF-UHFFFAOYSA-N 0 0 234.249 3.750 20 0 BHADRN Cc1ncccc1CN1C[C@H](C)c2ccccc21 ZINC000180676761 134331115 /nfs/dbraw/zinc/33/11/15/134331115.db2.gz FCYIUZXQENABKB-LBPRGKRZSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1ncccc1CN1C[C@@H](C)c2ccccc21 ZINC000180676777 134330806 /nfs/dbraw/zinc/33/08/06/134330806.db2.gz FCYIUZXQENABKB-GFCCVEGCSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1ncsc1CN1C[C@H](C)c2ccccc21 ZINC000180677855 134330714 /nfs/dbraw/zinc/33/07/14/134330714.db2.gz XDYRBEVRIPSJSR-JTQLQIEISA-N 0 0 244.363 3.575 20 0 BHADRN Cc1ncsc1CN1C[C@@H](C)c2ccccc21 ZINC000180677880 134330899 /nfs/dbraw/zinc/33/08/99/134330899.db2.gz XDYRBEVRIPSJSR-SNVBAGLBSA-N 0 0 244.363 3.575 20 0 BHADRN CCCCCS(=O)(=O)CCCC1CCCC1 ZINC000180683110 366532850 /nfs/dbraw/zinc/53/28/50/366532850.db2.gz NNVOCAMHUDHLKV-UHFFFAOYSA-N 0 0 246.416 3.562 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CCCCC[C@H]1CC ZINC000180684362 384491511 /nfs/dbraw/zinc/49/15/11/384491511.db2.gz NLKZDGHQQDDTLG-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CCCCC[C@@H]1CC ZINC000180684381 384493543 /nfs/dbraw/zinc/49/35/43/384493543.db2.gz NLKZDGHQQDDTLG-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1CCCCC[C@H]1CC ZINC000180684394 384491396 /nfs/dbraw/zinc/49/13/96/384491396.db2.gz NLKZDGHQQDDTLG-BFHYXJOUSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1CCCCC[C@@H]1CC ZINC000180684411 322828027 /nfs/dbraw/zinc/82/80/27/322828027.db2.gz NLKZDGHQQDDTLG-MJBXVCDLSA-N 0 0 239.403 3.850 20 0 BHADRN O=C(CC1=CCCCC1)N[C@H]1CC12CCCCC2 ZINC000180693328 366534241 /nfs/dbraw/zinc/53/42/41/366534241.db2.gz MBNSFWDIIDRTDH-AWEZNQCLSA-N 0 0 247.382 3.716 20 0 BHADRN O=C(CC1=CCCCC1)N[C@@H]1CC12CCCCC2 ZINC000180693350 366533796 /nfs/dbraw/zinc/53/37/96/366533796.db2.gz MBNSFWDIIDRTDH-CQSZACIVSA-N 0 0 247.382 3.716 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CC23CCCCC3)s1 ZINC000180696724 134331057 /nfs/dbraw/zinc/33/10/57/134331057.db2.gz BUBWRVVLAPVYKB-GFCCVEGCSA-N 0 0 249.379 3.509 20 0 BHADRN Cc1ccc(C(=O)N[C@H]2CC23CCCCC3)s1 ZINC000180696741 134330765 /nfs/dbraw/zinc/33/07/65/134330765.db2.gz BUBWRVVLAPVYKB-LBPRGKRZSA-N 0 0 249.379 3.509 20 0 BHADRN Cc1ncsc1CN(C)c1cc(C)cc(C)c1 ZINC000180697503 259308385 /nfs/dbraw/zinc/30/83/85/259308385.db2.gz PKIHGYFIGPCQBO-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN COC[C@H](C)SCCCc1cccc(F)c1 ZINC000180709483 384494884 /nfs/dbraw/zinc/49/48/84/384494884.db2.gz ZOIFOIBWKCJJJR-NSHDSACASA-N 0 0 242.359 3.526 20 0 BHADRN COC[C@@H](C)SCCCc1cccc(F)c1 ZINC000180709495 384495774 /nfs/dbraw/zinc/49/57/74/384495774.db2.gz ZOIFOIBWKCJJJR-LLVKDONJSA-N 0 0 242.359 3.526 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)c1cccnc1 ZINC000180710130 385541817 /nfs/dbraw/zinc/54/18/17/385541817.db2.gz ALXHXJXIUHSMGS-CYBMUJFWSA-N 0 0 248.370 3.651 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)c1cccnc1 ZINC000180710149 385542808 /nfs/dbraw/zinc/54/28/08/385542808.db2.gz ALXHXJXIUHSMGS-ZDUSSCGKSA-N 0 0 248.370 3.651 20 0 BHADRN CO[C@H](C)CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000180715219 385541954 /nfs/dbraw/zinc/54/19/54/385541954.db2.gz VHXPCRQVEQVNMK-GFCCVEGCSA-N 0 0 249.354 3.564 20 0 BHADRN CO[C@@H](C)CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000180715242 385542283 /nfs/dbraw/zinc/54/22/83/385542283.db2.gz VHXPCRQVEQVNMK-LBPRGKRZSA-N 0 0 249.354 3.564 20 0 BHADRN CCOc1cccc([C@@H](C)[NH2+]CC=C(C)C)c1 ZINC000180715536 366536484 /nfs/dbraw/zinc/53/64/84/366536484.db2.gz RFNBOVIDBYJLNN-CYBMUJFWSA-N 0 0 233.355 3.702 20 0 BHADRN CCOc1cccc([C@H](C)[NH2+]CC=C(C)C)c1 ZINC000180715549 366537678 /nfs/dbraw/zinc/53/76/78/366537678.db2.gz RFNBOVIDBYJLNN-ZDUSSCGKSA-N 0 0 233.355 3.702 20 0 BHADRN Cc1ccncc1NC(=O)C1(C)CCCCCC1 ZINC000180715755 385542353 /nfs/dbraw/zinc/54/23/53/385542353.db2.gz SOULWKZVBQJDOP-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN CCCCCSCCc1scnc1C ZINC000180717319 259374853 /nfs/dbraw/zinc/37/48/53/259374853.db2.gz FSFJTLZDJPLCBV-UHFFFAOYSA-N 0 0 229.414 3.917 20 0 BHADRN CCCCCSCc1nc(C)c(C)o1 ZINC000180717471 385542375 /nfs/dbraw/zinc/54/23/75/385542375.db2.gz FHXVZHYFSKFOHZ-UHFFFAOYSA-N 0 0 213.346 3.715 20 0 BHADRN CO[C@H](C)CCC(=O)Nc1ccccc1C(C)C ZINC000180721487 174813023 /nfs/dbraw/zinc/81/30/23/174813023.db2.gz PNVHAXAWRLBZNM-GFCCVEGCSA-N 0 0 249.354 3.564 20 0 BHADRN CO[C@@H](C)CCC(=O)Nc1ccccc1C(C)C ZINC000180721502 385542323 /nfs/dbraw/zinc/54/23/23/385542323.db2.gz PNVHAXAWRLBZNM-LBPRGKRZSA-N 0 0 249.354 3.564 20 0 BHADRN CCCCCSCc1ncccc1C ZINC000180723577 366538792 /nfs/dbraw/zinc/53/87/92/366538792.db2.gz RSSIMUAGPPHDHY-UHFFFAOYSA-N 0 0 209.358 3.813 20 0 BHADRN CCCCCS[C@@H](C)OC(=O)OC(C)C ZINC000180729636 633049244 /nfs/dbraw/zinc/04/92/44/633049244.db2.gz RAEPSKDHTYPLKI-JTQLQIEISA-N 0 0 234.361 3.817 20 0 BHADRN CCCCCS[C@H](C)OC(=O)OC(C)C ZINC000180729654 633050070 /nfs/dbraw/zinc/05/00/70/633050070.db2.gz RAEPSKDHTYPLKI-SNVBAGLBSA-N 0 0 234.361 3.817 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000180735476 384495161 /nfs/dbraw/zinc/49/51/61/384495161.db2.gz CRODGXRQZQULPK-RFGFWPKPSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)Nc1ccon1 ZINC000180735596 633899629 /nfs/dbraw/zinc/89/96/29/633899629.db2.gz FSGUHNAZVAWXJO-LLVKDONJSA-N 0 0 238.331 3.610 20 0 BHADRN CCCCCC[C@H](CC)C(=O)Nc1ccon1 ZINC000180735610 642811197 /nfs/dbraw/zinc/81/11/97/642811197.db2.gz FSGUHNAZVAWXJO-NSHDSACASA-N 0 0 238.331 3.610 20 0 BHADRN Cc1cnccc1NC(=O)C1(C)CCCCCC1 ZINC000180742383 385544539 /nfs/dbraw/zinc/54/45/39/385544539.db2.gz QIINIFHYBQLGSK-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN CCc1cc(NC(=O)[C@@H](C)C2CC2)ccc1C ZINC000180745844 256521494 /nfs/dbraw/zinc/52/14/94/256521494.db2.gz IWFPPPXZQXKMJV-NSHDSACASA-N 0 0 231.339 3.542 20 0 BHADRN CCc1cc(NC(=O)[C@H](C)C2CC2)ccc1C ZINC000180745861 256521419 /nfs/dbraw/zinc/52/14/19/256521419.db2.gz IWFPPPXZQXKMJV-LLVKDONJSA-N 0 0 231.339 3.542 20 0 BHADRN CCc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000180747949 385396107 /nfs/dbraw/zinc/39/61/07/385396107.db2.gz LQLGJTDUSMBSMU-UHFFFAOYSA-N 0 0 219.328 3.542 20 0 BHADRN CCc1cc(NC(=O)C2=CCCC2)ccc1C ZINC000180751056 384496984 /nfs/dbraw/zinc/49/69/84/384496984.db2.gz HOWNYVZQXYMDMM-UHFFFAOYSA-N 0 0 229.323 3.606 20 0 BHADRN CCc1cc(NC(=O)C=C2CCC2)ccc1C ZINC000180752820 642811130 /nfs/dbraw/zinc/81/11/30/642811130.db2.gz LLLRLCHRWVSHBN-UHFFFAOYSA-N 0 0 229.323 3.606 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000180756475 384498530 /nfs/dbraw/zinc/49/85/30/384498530.db2.gz OKNGBDQNPVKEBA-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000180756493 256521597 /nfs/dbraw/zinc/52/15/97/256521597.db2.gz OKNGBDQNPVKEBA-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000180756515 256521377 /nfs/dbraw/zinc/52/13/77/256521377.db2.gz OKNGBDQNPVKEBA-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000180756533 256521606 /nfs/dbraw/zinc/52/16/06/256521606.db2.gz OKNGBDQNPVKEBA-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN CN(CC1CCC1)C(=O)C1(C)CCCCCC1 ZINC000180759633 384496998 /nfs/dbraw/zinc/49/69/98/384496998.db2.gz CLJNHJRPNFHHOD-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC(C)c1ccc(N(C)CC2=CCCOC2)cc1 ZINC000180771308 633899456 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ZINC000181117523 168630990 /nfs/dbraw/zinc/63/09/90/168630990.db2.gz PTWSYHJHYUYJNG-JTQLQIEISA-N 0 0 247.294 3.622 20 0 BHADRN CCCCC(=O)O[C@H](C)c1nc2ccccc2o1 ZINC000181117543 385563679 /nfs/dbraw/zinc/56/36/79/385563679.db2.gz PTWSYHJHYUYJNG-SNVBAGLBSA-N 0 0 247.294 3.622 20 0 BHADRN CO[C@@H](C)CS[C@@H](C)c1ccccc1 ZINC000181124902 536884129 /nfs/dbraw/zinc/88/41/29/536884129.db2.gz KCYHENVVBUZVSW-QWRGUYRKSA-N 0 0 210.342 3.516 20 0 BHADRN CO[C@H](C)CS[C@@H](C)c1ccccc1 ZINC000181124917 134336320 /nfs/dbraw/zinc/33/63/20/134336320.db2.gz KCYHENVVBUZVSW-MNOVXSKESA-N 0 0 210.342 3.516 20 0 BHADRN CO[C@@H](C)CS[C@H](C)c1ccccc1 ZINC000181124937 536884184 /nfs/dbraw/zinc/88/41/84/536884184.db2.gz KCYHENVVBUZVSW-WDEREUQCSA-N 0 0 210.342 3.516 20 0 BHADRN CO[C@H](C)CS[C@H](C)c1ccccc1 ZINC000181124956 134336078 /nfs/dbraw/zinc/33/60/78/134336078.db2.gz KCYHENVVBUZVSW-GHMZBOCLSA-N 0 0 210.342 3.516 20 0 BHADRN C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC(C)(C)C1 ZINC000181125638 176039219 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CO[C@@H](C)CS[C@H](C)c1ccc(F)c(F)c1 ZINC000181131655 536884043 /nfs/dbraw/zinc/88/40/43/536884043.db2.gz DRXJHMMLAKYQDT-DTWKUNHWSA-N 0 0 246.322 3.794 20 0 BHADRN CO[C@H](C)CS[C@H](C)c1ccc(F)c(F)c1 ZINC000181131674 134336614 /nfs/dbraw/zinc/33/66/14/134336614.db2.gz DRXJHMMLAKYQDT-RKDXNWHRSA-N 0 0 246.322 3.794 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC(C)(C)C1 ZINC000181133449 633911231 /nfs/dbraw/zinc/91/12/31/633911231.db2.gz UCKUUZRWTKJJEA-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC(C)(C)C1 ZINC000181133465 642842599 /nfs/dbraw/zinc/84/25/99/642842599.db2.gz UCKUUZRWTKJJEA-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000181134657 176039423 /nfs/dbraw/zinc/03/94/23/176039423.db2.gz LHLVNMCHWQRGND-UTUOFQBUSA-N 0 0 244.338 3.619 20 0 BHADRN CO[C@H](C)CS[C@H](C)c1cccc(C)c1 ZINC000181135892 366789611 /nfs/dbraw/zinc/78/96/11/366789611.db2.gz VFFQYZONPGZVGJ-VXGBXAGGSA-N 0 0 224.369 3.824 20 0 BHADRN CO[C@H](C)CS[C@@H](C)c1cccc(C)c1 ZINC000181135909 366788991 /nfs/dbraw/zinc/78/89/91/366788991.db2.gz VFFQYZONPGZVGJ-NEPJUHHUSA-N 0 0 224.369 3.824 20 0 BHADRN CO[C@@H](C)CS[C@H](C)c1cccc(C)c1 ZINC000181135929 366788984 /nfs/dbraw/zinc/78/89/84/366788984.db2.gz VFFQYZONPGZVGJ-NWDGAFQWSA-N 0 0 224.369 3.824 20 0 BHADRN CO[C@@H](C)CS[C@@H](C)c1cccc(C)c1 ZINC000181135944 366789570 /nfs/dbraw/zinc/78/95/70/366789570.db2.gz VFFQYZONPGZVGJ-RYUDHWBXSA-N 0 0 224.369 3.824 20 0 BHADRN CO[C@@H](C)CS[C@@H]1CCc2ccc(F)cc21 ZINC000181136127 536884072 /nfs/dbraw/zinc/88/40/72/536884072.db2.gz KLMBAAQIWSQLNK-TVQRCGJNSA-N 0 0 240.343 3.581 20 0 BHADRN CO[C@H](C)CS[C@@H]1CCc2ccc(F)cc21 ZINC000181136149 134336500 /nfs/dbraw/zinc/33/65/00/134336500.db2.gz KLMBAAQIWSQLNK-NOZJJQNGSA-N 0 0 240.343 3.581 20 0 BHADRN CO[C@@H](C)CS[C@H]1CCc2ccc(F)cc21 ZINC000181136167 536884049 /nfs/dbraw/zinc/88/40/49/536884049.db2.gz KLMBAAQIWSQLNK-ZANVPECISA-N 0 0 240.343 3.581 20 0 BHADRN CO[C@H](C)CS[C@H]1CCc2ccc(F)cc21 ZINC000181136180 134336480 /nfs/dbraw/zinc/33/64/80/134336480.db2.gz KLMBAAQIWSQLNK-RNCFNFMXSA-N 0 0 240.343 3.581 20 0 BHADRN CO[C@@H](C)CSCCCc1cccc(F)c1 ZINC000181136552 366789648 /nfs/dbraw/zinc/78/96/48/366789648.db2.gz QHUYTHLXPGLEDX-NSHDSACASA-N 0 0 242.359 3.526 20 0 BHADRN CO[C@H](C)CSCCCc1cccc(F)c1 ZINC000181136568 366789254 /nfs/dbraw/zinc/78/92/54/366789254.db2.gz QHUYTHLXPGLEDX-LLVKDONJSA-N 0 0 242.359 3.526 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC[C@@H]1C ZINC000181149796 633910815 /nfs/dbraw/zinc/91/08/15/633910815.db2.gz OQUQFCQINFJQOL-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC[C@@H]1C ZINC000181149809 642843014 /nfs/dbraw/zinc/84/30/14/642843014.db2.gz OQUQFCQINFJQOL-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC[C@H]1C ZINC000181149833 633911453 /nfs/dbraw/zinc/91/14/53/633911453.db2.gz OQUQFCQINFJQOL-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC[C@H]1C ZINC000181149846 642842976 /nfs/dbraw/zinc/84/29/76/642842976.db2.gz OQUQFCQINFJQOL-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CO[C@@H](C)CS[C@@H](C)c1ccc(F)cc1F ZINC000181156319 536883230 /nfs/dbraw/zinc/88/32/30/536883230.db2.gz DAQJDSNIZKKFAI-IUCAKERBSA-N 0 0 246.322 3.794 20 0 BHADRN CO[C@H](C)CS[C@@H](C)c1ccc(F)cc1F ZINC000181156339 134336642 /nfs/dbraw/zinc/33/66/42/134336642.db2.gz DAQJDSNIZKKFAI-BDAKNGLRSA-N 0 0 246.322 3.794 20 0 BHADRN CO[C@@H](C)CS[C@H](C)c1ccc(F)cc1F ZINC000181156360 536884007 /nfs/dbraw/zinc/88/40/07/536884007.db2.gz DAQJDSNIZKKFAI-DTWKUNHWSA-N 0 0 246.322 3.794 20 0 BHADRN CO[C@H](C)CS[C@H](C)c1ccc(F)cc1F ZINC000181156378 134336730 /nfs/dbraw/zinc/33/67/30/134336730.db2.gz DAQJDSNIZKKFAI-RKDXNWHRSA-N 0 0 246.322 3.794 20 0 BHADRN CO[C@H](C)CS[C@H](C)c1ccccc1C ZINC000181157249 366790685 /nfs/dbraw/zinc/79/06/85/366790685.db2.gz YEONXTNDSYEACL-VXGBXAGGSA-N 0 0 224.369 3.824 20 0 BHADRN CO[C@H](C)CS[C@@H](C)c1ccccc1C ZINC000181157268 366790762 /nfs/dbraw/zinc/79/07/62/366790762.db2.gz YEONXTNDSYEACL-NEPJUHHUSA-N 0 0 224.369 3.824 20 0 BHADRN CO[C@@H](C)CS[C@H](C)c1ccccc1C ZINC000181157289 366790771 /nfs/dbraw/zinc/79/07/71/366790771.db2.gz YEONXTNDSYEACL-NWDGAFQWSA-N 0 0 224.369 3.824 20 0 BHADRN CO[C@@H](C)CS[C@@H](C)c1ccccc1C ZINC000181157310 366790561 /nfs/dbraw/zinc/79/05/61/366790561.db2.gz YEONXTNDSYEACL-RYUDHWBXSA-N 0 0 224.369 3.824 20 0 BHADRN CO[C@H](C)CSCc1csc(C(C)C)n1 ZINC000181163035 134336863 /nfs/dbraw/zinc/33/68/63/134336863.db2.gz CDLYAMIPQVBEED-SECBINFHSA-N 0 0 245.413 3.535 20 0 BHADRN CO[C@@H](C)CSCc1csc(C(C)C)n1 ZINC000181163049 134336478 /nfs/dbraw/zinc/33/64/78/134336478.db2.gz CDLYAMIPQVBEED-VIFPVBQESA-N 0 0 245.413 3.535 20 0 BHADRN Cc1ccc(CNc2cccc(N(C)C)c2C)o1 ZINC000181163822 366791716 /nfs/dbraw/zinc/79/17/16/366791716.db2.gz GATIPMDDUGZFJO-UHFFFAOYSA-N 0 0 244.338 3.575 20 0 BHADRN CC(=O)c1ccc(NCCCC(C)(C)C)nc1 ZINC000181165815 366791878 /nfs/dbraw/zinc/79/18/78/366791878.db2.gz SVVAEPVARSVSMD-UHFFFAOYSA-N 0 0 234.343 3.522 20 0 BHADRN CO[C@H](C)CSCc1cc(C)sc1C ZINC000181167229 134916322 /nfs/dbraw/zinc/91/63/22/134916322.db2.gz IFELSLPXPRHNQV-MRVPVSSYSA-N 0 0 230.398 3.633 20 0 BHADRN CO[C@@H](C)CSCc1cc(C)sc1C ZINC000181167248 134336809 /nfs/dbraw/zinc/33/68/09/134336809.db2.gz IFELSLPXPRHNQV-QMMMGPOBSA-N 0 0 230.398 3.633 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000181169178 384464836 /nfs/dbraw/zinc/46/48/36/384464836.db2.gz SWFGMJPYTNEHDB-XUXIUFHCSA-N 0 0 239.403 3.563 20 0 BHADRN CO[C@@H](C)CSCc1ccc2ccccc2n1 ZINC000181171027 366791822 /nfs/dbraw/zinc/79/18/22/366791822.db2.gz PLSXHYBGMSCNQH-NSHDSACASA-N 0 0 247.363 3.503 20 0 BHADRN CO[C@H](C)CSCc1ccc2ccccc2n1 ZINC000181171050 366793456 /nfs/dbraw/zinc/79/34/56/366793456.db2.gz PLSXHYBGMSCNQH-LLVKDONJSA-N 0 0 247.363 3.503 20 0 BHADRN CO[C@@H](C)CSCCSc1ccccc1 ZINC000181171826 633911004 /nfs/dbraw/zinc/91/10/04/633911004.db2.gz PNUOWFGWPSMTSC-NSHDSACASA-N 0 0 242.409 3.547 20 0 BHADRN CO[C@H](C)CSCCSc1ccccc1 ZINC000181171844 642846222 /nfs/dbraw/zinc/84/62/22/642846222.db2.gz PNUOWFGWPSMTSC-LLVKDONJSA-N 0 0 242.409 3.547 20 0 BHADRN C[C@@H](c1nc2ccccc2o1)[N@H+](C)CCC1CC1 ZINC000181185952 176039323 /nfs/dbraw/zinc/03/93/23/176039323.db2.gz GSDZDWFXIQSDSK-NSHDSACASA-N 0 0 244.338 3.621 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000181195274 642847262 /nfs/dbraw/zinc/84/72/62/642847262.db2.gz REFGXLAMIDFFJQ-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000181195310 642847175 /nfs/dbraw/zinc/84/71/75/642847175.db2.gz REFGXLAMIDFFJQ-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN CC(=O)c1ccc(N[C@@H](C)C2CCCCC2)nc1 ZINC000181197092 134333898 /nfs/dbraw/zinc/33/38/98/134333898.db2.gz APKGXTDBICGUIB-NSHDSACASA-N 0 0 246.354 3.665 20 0 BHADRN CC(=O)c1ccc(N[C@H](C)C2CCCCC2)nc1 ZINC000181197117 134333940 /nfs/dbraw/zinc/33/39/40/134333940.db2.gz APKGXTDBICGUIB-LLVKDONJSA-N 0 0 246.354 3.665 20 0 BHADRN CC(=O)c1ccc(NCC2(CC(C)C)CC2)nc1 ZINC000181212502 534868389 /nfs/dbraw/zinc/86/83/89/534868389.db2.gz IEXDRVYKBDREKL-UHFFFAOYSA-N 0 0 246.354 3.522 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CC[C@H](CC)C1 ZINC000181251568 642854991 /nfs/dbraw/zinc/85/49/91/642854991.db2.gz SZTWTIAOUVOMAK-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC[C@H](CC)C1 ZINC000181251582 633912311 /nfs/dbraw/zinc/91/23/11/633912311.db2.gz SZTWTIAOUVOMAK-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CC[C@@H](CC)C1 ZINC000181251601 642855197 /nfs/dbraw/zinc/85/51/97/642855197.db2.gz SZTWTIAOUVOMAK-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC[C@@H](CC)C1 ZINC000181251615 642855464 /nfs/dbraw/zinc/85/54/64/642855464.db2.gz SZTWTIAOUVOMAK-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@@H](C)N(C)C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000181257058 642856615 /nfs/dbraw/zinc/85/66/15/642856615.db2.gz MDDVXCUOJCNSQB-YPDDLIOESA-N 0 0 245.366 3.655 20 0 BHADRN CC[C@H](C)N(C)C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000181257072 642855938 /nfs/dbraw/zinc/85/59/38/642855938.db2.gz MDDVXCUOJCNSQB-CMPYXILNSA-N 0 0 245.366 3.655 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000181268455 642856029 /nfs/dbraw/zinc/85/60/29/642856029.db2.gz VFJVABMSZMWTAO-HZSPNIEDSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000181268468 642856785 /nfs/dbraw/zinc/85/67/85/642856785.db2.gz VFJVABMSZMWTAO-MJBXVCDLSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000181268495 642856837 /nfs/dbraw/zinc/85/68/37/642856837.db2.gz VFJVABMSZMWTAO-IHRRRGAJSA-N 0 0 239.403 3.992 20 0 BHADRN C#CCCCCNC(=O)[C@H](CC)CCCCC ZINC000181270587 642856730 /nfs/dbraw/zinc/85/67/30/642856730.db2.gz SUXAEQZZHKLJTE-CQSZACIVSA-N 0 0 237.387 3.513 20 0 BHADRN C#CCCCCNC(=O)[C@@H](CC)CCCCC ZINC000181270605 642857504 /nfs/dbraw/zinc/85/75/04/642857504.db2.gz SUXAEQZZHKLJTE-AWEZNQCLSA-N 0 0 237.387 3.513 20 0 BHADRN Cc1occc1SCc1noc2c1CCCC2 ZINC000181277444 538960272 /nfs/dbraw/zinc/96/02/72/538960272.db2.gz ULAGKAIWVCXFNS-UHFFFAOYSA-N 0 0 249.335 3.747 20 0 BHADRN Cc1occc1SCc1ccc(Cl)nc1 ZINC000181281661 642859006 /nfs/dbraw/zinc/85/90/06/642859006.db2.gz HSDJTSJMDQIRSP-UHFFFAOYSA-N 0 0 239.727 3.929 20 0 BHADRN COc1cccc(CSc2ccoc2C)c1 ZINC000181282441 134334918 /nfs/dbraw/zinc/33/49/18/134334918.db2.gz GTITYLYEHILCOD-UHFFFAOYSA-N 0 0 234.320 3.889 20 0 BHADRN Cc1occc1SCc1cccc(Cl)n1 ZINC000181292116 633914553 /nfs/dbraw/zinc/91/45/53/633914553.db2.gz AGHPRCKLIQVYGZ-UHFFFAOYSA-N 0 0 239.727 3.929 20 0 BHADRN CCc1nc(CSc2ccoc2C)cs1 ZINC000181296567 347055047 /nfs/dbraw/zinc/05/50/47/347055047.db2.gz ZITNHBOYXFMPIC-UHFFFAOYSA-N 0 0 239.365 3.899 20 0 BHADRN CC(C(=O)N[C@@H]1CC12CCCCC2)=C1CCCC1 ZINC000181297215 633077490 /nfs/dbraw/zinc/07/74/90/633077490.db2.gz PHWGLIKUXRSTDJ-CQSZACIVSA-N 0 0 247.382 3.716 20 0 BHADRN CC(C(=O)N[C@H]1CC12CCCCC2)=C1CCCC1 ZINC000181297232 642861410 /nfs/dbraw/zinc/86/14/10/642861410.db2.gz PHWGLIKUXRSTDJ-AWEZNQCLSA-N 0 0 247.382 3.716 20 0 BHADRN c1ccc2nc(SC3CCOCC3)ccc2c1 ZINC000181301887 366801365 /nfs/dbraw/zinc/80/13/65/366801365.db2.gz UJYZFILAPCSODG-UHFFFAOYSA-N 0 0 245.347 3.506 20 0 BHADRN Clc1ccc(SC2CCOCC2)cc1 ZINC000181302030 134334955 /nfs/dbraw/zinc/33/49/55/134334955.db2.gz ABWMXXFQQBOLTI-UHFFFAOYSA-N 0 0 228.744 3.611 20 0 BHADRN Clc1ccccc1SC1CCOCC1 ZINC000181302264 134335327 /nfs/dbraw/zinc/33/53/27/134335327.db2.gz UZVDIERIZUUISI-UHFFFAOYSA-N 0 0 228.744 3.611 20 0 BHADRN CC(C)(C)c1csc(Nc2ccccn2)n1 ZINC000181302676 366801547 /nfs/dbraw/zinc/80/15/47/366801547.db2.gz JARSVJIFWCQHLV-UHFFFAOYSA-N 0 0 233.340 3.579 20 0 BHADRN c1sc(C2CC2)nc1Cc1ccccc1 ZINC000181303317 385406672 /nfs/dbraw/zinc/40/66/72/385406672.db2.gz OQCOJXPQHHTFOE-UHFFFAOYSA-N 0 0 215.321 3.611 20 0 BHADRN c1cc(-c2nc(Cc3ccccc3)cs2)co1 ZINC000181306434 366801486 /nfs/dbraw/zinc/80/14/86/366801486.db2.gz JGOXYHXQGVEOEO-UHFFFAOYSA-N 0 0 241.315 3.994 20 0 BHADRN CCO[C@@H](C)c1nc(Cc2ccccc2)cs1 ZINC000181307317 385570471 /nfs/dbraw/zinc/57/04/71/385570471.db2.gz WKSRDTCZFKNCCW-NSHDSACASA-N 0 0 247.363 3.831 20 0 BHADRN CCO[C@H](C)c1nc(Cc2ccccc2)cs1 ZINC000181307333 385570020 /nfs/dbraw/zinc/57/00/20/385570020.db2.gz WKSRDTCZFKNCCW-LLVKDONJSA-N 0 0 247.363 3.831 20 0 BHADRN Cc1ccc(SC2CCOCC2)cc1C ZINC000181307768 398314282 /nfs/dbraw/zinc/31/42/82/398314282.db2.gz RWPGDBOKROCUFF-UHFFFAOYSA-N 0 0 222.353 3.575 20 0 BHADRN Cc1ccc(C)c(SC2CCOCC2)c1 ZINC000181307976 398314190 /nfs/dbraw/zinc/31/41/90/398314190.db2.gz LLUQGAIIAJZUJD-UHFFFAOYSA-N 0 0 222.353 3.575 20 0 BHADRN Cc1ccc(SC2CCOCC2)c(C)c1 ZINC000181308004 398314087 /nfs/dbraw/zinc/31/40/87/398314087.db2.gz HKABLOVDXDMAQB-UHFFFAOYSA-N 0 0 222.353 3.575 20 0 BHADRN c1sc([C@@H]2CCCO2)nc1Cc1ccccc1 ZINC000181308027 385570467 /nfs/dbraw/zinc/57/04/67/385570467.db2.gz VUFYSFWUJLRJBS-ZDUSSCGKSA-N 0 0 245.347 3.585 20 0 BHADRN c1sc([C@H]2CCCO2)nc1Cc1ccccc1 ZINC000181308044 385570005 /nfs/dbraw/zinc/57/00/05/385570005.db2.gz VUFYSFWUJLRJBS-CYBMUJFWSA-N 0 0 245.347 3.585 20 0 BHADRN Cc1cc(-c2nccs2)nc2cc(F)ccc12 ZINC000181308925 366801914 /nfs/dbraw/zinc/80/19/14/366801914.db2.gz VBSWPBLCOMSJTC-UHFFFAOYSA-N 0 0 244.294 3.806 20 0 BHADRN Cc1cc(-c2ccncc2)nc2cc(F)ccc12 ZINC000181309261 366801343 /nfs/dbraw/zinc/80/13/43/366801343.db2.gz IGWMRSDOAJDWIL-UHFFFAOYSA-N 0 0 238.265 3.744 20 0 BHADRN COc1ccccc1-c1csc(CC2CC2)n1 ZINC000181309613 366801967 /nfs/dbraw/zinc/80/19/67/366801967.db2.gz LVNABNFIMIVWMC-UHFFFAOYSA-N 0 0 245.347 3.771 20 0 BHADRN Cc1cc(-c2cccnc2)nc2cc(F)ccc12 ZINC000181312544 366802744 /nfs/dbraw/zinc/80/27/44/366802744.db2.gz GWGZYFUEQDAAIS-UHFFFAOYSA-N 0 0 238.265 3.744 20 0 BHADRN CO[C@H]1CCCc2c(C)c3ccc(F)cc3nc21 ZINC000181313104 538960250 /nfs/dbraw/zinc/96/02/50/538960250.db2.gz MXUBGTXAKRQNHN-AWEZNQCLSA-N 0 0 245.297 3.706 20 0 BHADRN CO[C@@H]1CCCc2c(C)c3ccc(F)cc3nc21 ZINC000181313125 538960464 /nfs/dbraw/zinc/96/04/64/538960464.db2.gz MXUBGTXAKRQNHN-CQSZACIVSA-N 0 0 245.297 3.706 20 0 BHADRN Cc1cc(-c2ccc[nH]2)nc2cc(F)ccc12 ZINC000181316295 366802910 /nfs/dbraw/zinc/80/29/10/366802910.db2.gz ZGFQDYLRNZBTOE-UHFFFAOYSA-N 0 0 226.254 3.677 20 0 BHADRN Clc1cccc(SC2CCOCC2)c1 ZINC000181320059 134335483 /nfs/dbraw/zinc/33/54/83/134335483.db2.gz DHTRVFLRPIRRAT-UHFFFAOYSA-N 0 0 228.744 3.611 20 0 BHADRN FC(F)CN[C@H](CC1CCC1)c1ccccc1 ZINC000181345794 538960449 /nfs/dbraw/zinc/96/04/49/538960449.db2.gz ZZBZMPZAPMWDJL-CYBMUJFWSA-N 0 0 239.309 3.773 20 0 BHADRN FC(F)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000181345813 538960506 /nfs/dbraw/zinc/96/05/06/538960506.db2.gz ZZBZMPZAPMWDJL-ZDUSSCGKSA-N 0 0 239.309 3.773 20 0 BHADRN Cc1nscc1-c1nc(C2CCCCC2)no1 ZINC000181388878 385575429 /nfs/dbraw/zinc/57/54/29/385575429.db2.gz ACJHXVZBOJLQCA-UHFFFAOYSA-N 0 0 249.339 3.549 20 0 BHADRN CC(C)=CCOC(=O)C(C)(C)c1cccs1 ZINC000181454607 642873795 /nfs/dbraw/zinc/87/37/95/642873795.db2.gz PCUBPWFFOPZXHH-UHFFFAOYSA-N 0 0 238.352 3.535 20 0 BHADRN Cc1cc(NCc2cc(C)c(C)cc2C)no1 ZINC000181466153 366813366 /nfs/dbraw/zinc/81/33/66/366813366.db2.gz KMSBUGPQTLJFLZ-UHFFFAOYSA-N 0 0 230.311 3.520 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1nocc1C ZINC000181466786 633916333 /nfs/dbraw/zinc/91/63/33/633916333.db2.gz GADIFQWGUKNAKT-LLVKDONJSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1nocc1C ZINC000181466802 633916929 /nfs/dbraw/zinc/91/69/29/633916929.db2.gz GADIFQWGUKNAKT-NSHDSACASA-N 0 0 238.331 3.528 20 0 BHADRN Cc1cc(NCc2cc3ccccc3s2)no1 ZINC000181467526 366813046 /nfs/dbraw/zinc/81/30/46/366813046.db2.gz FSJIFIGFRYZRIH-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN CO[C@@H](C)COc1ccccc1-c1ccccc1 ZINC000181482526 366814335 /nfs/dbraw/zinc/81/43/35/366814335.db2.gz XXTOKRQBNHAUKE-ZDUSSCGKSA-N 0 0 242.318 3.767 20 0 BHADRN CO[C@H](C)COc1ccccc1-c1ccccc1 ZINC000181482544 366814106 /nfs/dbraw/zinc/81/41/06/366814106.db2.gz XXTOKRQBNHAUKE-CYBMUJFWSA-N 0 0 242.318 3.767 20 0 BHADRN c1ccc2c(c1)cccc2OCCOCC1CC1 ZINC000181483196 366814273 /nfs/dbraw/zinc/81/42/73/366814273.db2.gz INRKPSBVFDNMFJ-UHFFFAOYSA-N 0 0 242.318 3.645 20 0 BHADRN c1ccc2cc(OCCOCC3CC3)ccc2c1 ZINC000181483544 366813911 /nfs/dbraw/zinc/81/39/11/366813911.db2.gz UOYKKSZZTKJXRO-UHFFFAOYSA-N 0 0 242.318 3.645 20 0 BHADRN CCc1ccc(CNc2nc3ccccc3o2)o1 ZINC000181503952 347061659 /nfs/dbraw/zinc/06/16/59/347061659.db2.gz HSHOYQKENINSAF-UHFFFAOYSA-N 0 0 242.278 3.595 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC1(C)CCC1 ZINC000181517254 633919556 /nfs/dbraw/zinc/91/95/56/633919556.db2.gz ILNMXHITTRRLMH-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC1(C)CCC1 ZINC000181517274 642879395 /nfs/dbraw/zinc/87/93/95/642879395.db2.gz ILNMXHITTRRLMH-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN Cc1scc(C(=O)N(C(C)C)C(C)C)c1C ZINC000181530307 385582500 /nfs/dbraw/zinc/58/25/00/385582500.db2.gz HLNPVMQWGNLCFA-UHFFFAOYSA-N 0 0 239.384 3.624 20 0 BHADRN Fc1ccc(NCc2coc3ccccc23)nc1 ZINC000181571421 366827772 /nfs/dbraw/zinc/82/77/72/366827772.db2.gz CWTUMTWLZOEENF-UHFFFAOYSA-N 0 0 242.253 3.579 20 0 BHADRN 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385613870 /nfs/dbraw/zinc/61/38/70/385613870.db2.gz POKUIFWOMPZAKJ-JTQLQIEISA-N 0 0 247.367 3.781 20 0 BHADRN O=C1c2cccc3cccc(c23)N1C1CCCC1 ZINC000181863926 346772863 /nfs/dbraw/zinc/77/28/63/346772863.db2.gz GUQFWXDLCBMVNM-UHFFFAOYSA-N 0 0 237.302 3.743 20 0 BHADRN Cc1cc(F)ccc1CSc1ccccn1 ZINC000181863937 366851869 /nfs/dbraw/zinc/85/18/69/366851869.db2.gz ARNJOBCJUVDWHP-UHFFFAOYSA-N 0 0 233.311 3.821 20 0 BHADRN Cc1ccc(OCCSc2ccccc2)cn1 ZINC000181882997 366852642 /nfs/dbraw/zinc/85/26/42/366852642.db2.gz DMTKJGYJJXPVKB-UHFFFAOYSA-N 0 0 245.347 3.561 20 0 BHADRN CCSc1ccccc1OCCSC ZINC000181889677 366853193 /nfs/dbraw/zinc/85/31/93/366853193.db2.gz SGSHBRLAMWXULP-UHFFFAOYSA-N 0 0 228.382 3.540 20 0 BHADRN CCCCCC(=O)Nc1cccc(N(C)C)c1C ZINC000181894842 366854719 /nfs/dbraw/zinc/85/47/19/366854719.db2.gz VAAAQHGELGBRSM-UHFFFAOYSA-N 0 0 248.370 3.580 20 0 BHADRN CCCCN(C)Cc1ncc(Cl)cc1Cl ZINC000181939337 366855890 /nfs/dbraw/zinc/85/58/90/366855890.db2.gz IGOQWLLIHAMKFD-UHFFFAOYSA-N 0 0 247.169 3.620 20 0 BHADRN Fc1ccc(NCc2cc3ccccc3o2)nc1 ZINC000181941905 366855909 /nfs/dbraw/zinc/85/59/09/366855909.db2.gz XBMRYQZESJHZCE-UHFFFAOYSA-N 0 0 242.253 3.579 20 0 BHADRN COCCC[C@H](C)Nc1ccc(C)cc1C ZINC000181943552 174264884 /nfs/dbraw/zinc/26/48/84/174264884.db2.gz UCHLLFMXKSVSDQ-ZDUSSCGKSA-N 0 0 221.344 3.530 20 0 BHADRN COCCC[C@@H](C)Nc1ccc(C)cc1C ZINC000181943566 174261788 /nfs/dbraw/zinc/26/17/88/174261788.db2.gz UCHLLFMXKSVSDQ-CYBMUJFWSA-N 0 0 221.344 3.530 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)c1cncc(F)c1 ZINC000181947735 633168806 /nfs/dbraw/zinc/16/88/06/633168806.db2.gz IZRDEHIFZBTQPZ-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN C[C@H](Nc1ccccc1N1CCCC1)C1CCC1 ZINC000181949202 366855672 /nfs/dbraw/zinc/85/56/72/366855672.db2.gz ZHIHEMHPQHPZIZ-ZDUSSCGKSA-N 0 0 244.382 3.887 20 0 BHADRN C[C@@H](Nc1ccccc1N1CCCC1)C1CCC1 ZINC000181949221 366856073 /nfs/dbraw/zinc/85/60/73/366856073.db2.gz ZHIHEMHPQHPZIZ-CYBMUJFWSA-N 0 0 244.382 3.887 20 0 BHADRN CC(C)CN(C(=O)[C@H](C)c1ccccc1)C(C)C ZINC000181958510 385448369 /nfs/dbraw/zinc/44/83/69/385448369.db2.gz MQEBHNSEIWBGII-CQSZACIVSA-N 0 0 247.382 3.683 20 0 BHADRN CC(C)CN(C(=O)[C@@H](C)c1ccccc1)C(C)C ZINC000181958553 385448475 /nfs/dbraw/zinc/44/84/75/385448475.db2.gz MQEBHNSEIWBGII-AWEZNQCLSA-N 0 0 247.382 3.683 20 0 BHADRN CC(=O)c1ccccc1NCCc1cccs1 ZINC000181965939 635280219 /nfs/dbraw/zinc/28/02/19/635280219.db2.gz QRJLDCKYHGPXHB-UHFFFAOYSA-N 0 0 245.347 3.605 20 0 BHADRN COCCC[C@H](C)Nc1ccc(F)c(Cl)c1 ZINC000181971887 385425799 /nfs/dbraw/zinc/42/57/99/385425799.db2.gz MEEODXBMVCPESN-VIFPVBQESA-N 0 0 245.725 3.706 20 0 BHADRN COCCC[C@@H](C)Nc1ccc(F)c(Cl)c1 ZINC000181971907 385426071 /nfs/dbraw/zinc/42/60/71/385426071.db2.gz MEEODXBMVCPESN-SECBINFHSA-N 0 0 245.725 3.706 20 0 BHADRN COc1cc(N[C@@H](C)C(C)(C)C)cc(OC)c1 ZINC000181976742 385452742 /nfs/dbraw/zinc/45/27/42/385452742.db2.gz AUQRQHVWTLKELB-JTQLQIEISA-N 0 0 237.343 3.550 20 0 BHADRN COc1cc(N[C@H](C)C(C)(C)C)cc(OC)c1 ZINC000181976758 256606787 /nfs/dbraw/zinc/60/67/87/256606787.db2.gz AUQRQHVWTLKELB-SNVBAGLBSA-N 0 0 237.343 3.550 20 0 BHADRN CCc1cc(NC(=O)N(CC)C(C)C)ccc1C ZINC000181978072 385451737 /nfs/dbraw/zinc/45/17/37/385451737.db2.gz XIULKMBJSPGGOX-UHFFFAOYSA-N 0 0 248.370 3.820 20 0 BHADRN CCc1cc(NC(=O)N(C)[C@@H](C)CC)ccc1C ZINC000181979689 385451814 /nfs/dbraw/zinc/45/18/14/385451814.db2.gz BURYWDFAQREKKV-LBPRGKRZSA-N 0 0 248.370 3.820 20 0 BHADRN CCc1cc(NC(=O)N(C)[C@H](C)CC)ccc1C ZINC000181979708 385452234 /nfs/dbraw/zinc/45/22/34/385452234.db2.gz BURYWDFAQREKKV-GFCCVEGCSA-N 0 0 248.370 3.820 20 0 BHADRN CCc1cc(NC(=O)N(CC)C2CC2)ccc1C ZINC000181981974 385452107 /nfs/dbraw/zinc/45/21/07/385452107.db2.gz OIFPHLMKGWKSDM-UHFFFAOYSA-N 0 0 246.354 3.574 20 0 BHADRN Cc1cnc(SCc2ccc(F)cc2C)nc1 ZINC000181995451 385626254 /nfs/dbraw/zinc/62/62/54/385626254.db2.gz MRZFZVQTPNBPNH-UHFFFAOYSA-N 0 0 248.326 3.525 20 0 BHADRN C[C@H]([NH2+][C@H]1C=CCCC1)c1cccc(F)c1F ZINC000181999323 385626427 /nfs/dbraw/zinc/62/64/27/385626427.db2.gz XDBXNLYQQXFZMR-QWRGUYRKSA-N 0 0 237.293 3.724 20 0 BHADRN C[C@@H]([NH2+][C@H]1C=CCCC1)c1cccc(F)c1F ZINC000181999343 385627849 /nfs/dbraw/zinc/62/78/49/385627849.db2.gz XDBXNLYQQXFZMR-MNOVXSKESA-N 0 0 237.293 3.724 20 0 BHADRN CCc1cc(NC(=O)N2CCC[C@@H]2C)ccc1C ZINC000182000834 256606626 /nfs/dbraw/zinc/60/66/26/256606626.db2.gz YWHUCLDGHNTBDD-LBPRGKRZSA-N 0 0 246.354 3.574 20 0 BHADRN CCc1cc(NC(=O)N2CCC[C@H]2C)ccc1C ZINC000182000853 385451969 /nfs/dbraw/zinc/45/19/69/385451969.db2.gz YWHUCLDGHNTBDD-GFCCVEGCSA-N 0 0 246.354 3.574 20 0 BHADRN CCCCN(C)C(=O)Nc1ccc(C)c(CC)c1 ZINC000182004881 385452338 /nfs/dbraw/zinc/45/23/38/385452338.db2.gz FACOMWAPCOHHHX-UHFFFAOYSA-N 0 0 248.370 3.821 20 0 BHADRN Cc1cc(F)ccc1CSC[C@@H]1CCCO1 ZINC000182012491 385998597 /nfs/dbraw/zinc/99/85/97/385998597.db2.gz ZEYVBEXIYKANGG-ZDUSSCGKSA-N 0 0 240.343 3.546 20 0 BHADRN Cc1cc(F)ccc1CSC[C@H]1CCCO1 ZINC000182012510 366859001 /nfs/dbraw/zinc/85/90/01/366859001.db2.gz ZEYVBEXIYKANGG-CYBMUJFWSA-N 0 0 240.343 3.546 20 0 BHADRN COCCSCCCc1ccccc1Cl ZINC000182014855 366860537 /nfs/dbraw/zinc/86/05/37/366860537.db2.gz QCCPTKHQGVBNHT-UHFFFAOYSA-N 0 0 244.787 3.652 20 0 BHADRN CCc1cc(NC(=O)N(C)C2CCC2)ccc1C ZINC000182017872 385453854 /nfs/dbraw/zinc/45/38/54/385453854.db2.gz ZHXSJIVAHIVYKT-UHFFFAOYSA-N 0 0 246.354 3.574 20 0 BHADRN Cc1cc(F)ccc1CSCCOC(C)C ZINC000182032308 366860825 /nfs/dbraw/zinc/86/08/25/366860825.db2.gz WSLCIMLNAWFDIK-UHFFFAOYSA-N 0 0 242.359 3.792 20 0 BHADRN Cc1cc(F)ccc1CSCc1ccon1 ZINC000182039147 366861477 /nfs/dbraw/zinc/86/14/77/366861477.db2.gz RDQVDAVBNUXJHT-UHFFFAOYSA-N 0 0 237.299 3.556 20 0 BHADRN Cc1ccc(CCCSCc2ccon2)cc1 ZINC000182039210 366862363 /nfs/dbraw/zinc/86/23/63/366862363.db2.gz OLSDKDGXFWVFGT-UHFFFAOYSA-N 0 0 247.363 3.849 20 0 BHADRN CCc1ccc(NCc2cc[nH]c2)cc1CC ZINC000182044631 366861797 /nfs/dbraw/zinc/86/17/97/366861797.db2.gz GNYXJSUJUCWXQH-UHFFFAOYSA-N 0 0 228.339 3.752 20 0 BHADRN CCc1ccc(NCC2=CCCOC2)cc1CC ZINC000182044797 366862343 /nfs/dbraw/zinc/86/23/43/366862343.db2.gz FQFRPSXNISPLPI-UHFFFAOYSA-N 0 0 245.366 3.570 20 0 BHADRN Cc1cc(F)ccc1CSCc1ccccn1 ZINC000182061073 366863534 /nfs/dbraw/zinc/86/35/34/366863534.db2.gz SESLZWOJNZIBGN-UHFFFAOYSA-N 0 0 247.338 3.963 20 0 BHADRN CCN(Cc1ncc(Cl)cc1Cl)C(C)C ZINC000182068618 366865015 /nfs/dbraw/zinc/86/50/15/366865015.db2.gz WTNRHNABLBEHPL-UHFFFAOYSA-N 0 0 247.169 3.619 20 0 BHADRN CC(C)c1ccc([C@@H](C)S[C@@H](C)CO)cc1 ZINC000182069217 366865084 /nfs/dbraw/zinc/86/50/84/366865084.db2.gz ABHCXHTWNWBACO-NWDGAFQWSA-N 0 0 238.396 3.985 20 0 BHADRN CC(C)c1ccc([C@H](C)S[C@@H](C)CO)cc1 ZINC000182069237 366864721 /nfs/dbraw/zinc/86/47/21/366864721.db2.gz ABHCXHTWNWBACO-RYUDHWBXSA-N 0 0 238.396 3.985 20 0 BHADRN CC(C)c1ccc([C@@H](C)S[C@H](C)CO)cc1 ZINC000182069254 366864921 /nfs/dbraw/zinc/86/49/21/366864921.db2.gz ABHCXHTWNWBACO-VXGBXAGGSA-N 0 0 238.396 3.985 20 0 BHADRN CC(C)c1ccc([C@H](C)S[C@H](C)CO)cc1 ZINC000182069273 366864824 /nfs/dbraw/zinc/86/48/24/366864824.db2.gz ABHCXHTWNWBACO-NEPJUHHUSA-N 0 0 238.396 3.985 20 0 BHADRN CC(=O)CSCCCc1ccccc1Cl ZINC000182070239 366864326 /nfs/dbraw/zinc/86/43/26/366864326.db2.gz OVUGYACOBHVULZ-UHFFFAOYSA-N 0 0 242.771 3.595 20 0 BHADRN CC(C)c1ccc([C@@H](C)NCc2cocn2)cc1 ZINC000182071921 385428269 /nfs/dbraw/zinc/42/82/69/385428269.db2.gz KZCJNHQFDMPBTP-GFCCVEGCSA-N 0 0 244.338 3.649 20 0 BHADRN CC(C)c1ccc([C@H](C)NCc2cocn2)cc1 ZINC000182071940 385428942 /nfs/dbraw/zinc/42/89/42/385428942.db2.gz KZCJNHQFDMPBTP-LBPRGKRZSA-N 0 0 244.338 3.649 20 0 BHADRN Cc1cc(F)ccc1CN(C#N)c1ccccc1 ZINC000182077867 366865951 /nfs/dbraw/zinc/86/59/51/366865951.db2.gz OTJCPUVTZJTDGT-UHFFFAOYSA-N 0 0 240.281 3.622 20 0 BHADRN CSCCCCCCNc1cccc(F)n1 ZINC000182096712 642953815 /nfs/dbraw/zinc/95/38/15/642953815.db2.gz SYRZOVHABCUXCO-UHFFFAOYSA-N 0 0 242.363 3.556 20 0 BHADRN Cc1ncn(CCCc2ccccc2Cl)c1C ZINC000182100371 366865773 /nfs/dbraw/zinc/86/57/73/366865773.db2.gz PHZIXKMDLCYGDK-UHFFFAOYSA-N 0 0 248.757 3.786 20 0 BHADRN Cc1cc(F)ccc1CS[C@@H]1CCO[C@@H]1C ZINC000182102067 366866927 /nfs/dbraw/zinc/86/69/27/366866927.db2.gz XQLMQHRKNDDFBC-ZWNOBZJWSA-N 0 0 240.343 3.545 20 0 BHADRN Cc1cc(F)ccc1CS[C@H]1CCO[C@@H]1C ZINC000182102081 366861942 /nfs/dbraw/zinc/86/19/42/366861942.db2.gz XQLMQHRKNDDFBC-MFKMUULPSA-N 0 0 240.343 3.545 20 0 BHADRN Cc1cc(F)ccc1CS[C@@H]1CCO[C@H]1C ZINC000182102102 366867606 /nfs/dbraw/zinc/86/76/06/366867606.db2.gz XQLMQHRKNDDFBC-GXFFZTMASA-N 0 0 240.343 3.545 20 0 BHADRN Cc1cc(F)ccc1CS[C@H]1CCO[C@H]1C ZINC000182102120 366866874 /nfs/dbraw/zinc/86/68/74/366866874.db2.gz XQLMQHRKNDDFBC-GWCFXTLKSA-N 0 0 240.343 3.545 20 0 BHADRN Cc1cc(F)ccc1CSC1CCOCC1 ZINC000182103803 366866794 /nfs/dbraw/zinc/86/67/94/366866794.db2.gz HHRNHHYWWYZTNJ-UHFFFAOYSA-N 0 0 240.343 3.546 20 0 BHADRN CCSc1ccc([C@@H](C)NCC(F)F)cc1 ZINC000182129513 538962020 /nfs/dbraw/zinc/96/20/20/538962020.db2.gz KVWJSBULNYGNIN-SECBINFHSA-N 0 0 245.338 3.714 20 0 BHADRN CCSc1ccc([C@H](C)NCC(F)F)cc1 ZINC000182129536 538962009 /nfs/dbraw/zinc/96/20/09/538962009.db2.gz KVWJSBULNYGNIN-VIFPVBQESA-N 0 0 245.338 3.714 20 0 BHADRN CC1(C(=O)Nc2ccc(O)cc2)CCCCCC1 ZINC000182178970 259376299 /nfs/dbraw/zinc/37/62/99/259376299.db2.gz IPIWELCOFWJSFW-UHFFFAOYSA-N 0 0 247.338 3.691 20 0 BHADRN CCc1oc2ccccc2c1CNc1ccon1 ZINC000182192303 366874681 /nfs/dbraw/zinc/87/46/81/366874681.db2.gz ZCGGKIFLNPLUQQ-UHFFFAOYSA-N 0 0 242.278 3.595 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000182196371 259376749 /nfs/dbraw/zinc/37/67/49/259376749.db2.gz FAEXGALQVMSZRX-DGCLKSJQSA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000182196390 259376730 /nfs/dbraw/zinc/37/67/30/259376730.db2.gz FAEXGALQVMSZRX-WCQYABFASA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000182196407 259376714 /nfs/dbraw/zinc/37/67/14/259376714.db2.gz FAEXGALQVMSZRX-YPMHNXCESA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000182196426 259376746 /nfs/dbraw/zinc/37/67/46/259376746.db2.gz FAEXGALQVMSZRX-AAEUAGOBSA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000182199277 385642537 /nfs/dbraw/zinc/64/25/37/385642537.db2.gz BPVLOJNWMLMYGC-GHMZBOCLSA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000182199296 171360652 /nfs/dbraw/zinc/36/06/52/171360652.db2.gz BPVLOJNWMLMYGC-WDEREUQCSA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000182199314 170787892 /nfs/dbraw/zinc/78/78/92/170787892.db2.gz BPVLOJNWMLMYGC-MNOVXSKESA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000182199333 171385352 /nfs/dbraw/zinc/38/53/52/171385352.db2.gz BPVLOJNWMLMYGC-QWRGUYRKSA-N 0 0 247.338 3.510 20 0 BHADRN CCc1ccc(NC(=O)c2ccco2)cc1CC ZINC000182207335 366874828 /nfs/dbraw/zinc/87/48/28/366874828.db2.gz XHRHIDVVRQFPIZ-UHFFFAOYSA-N 0 0 243.306 3.657 20 0 BHADRN Cc1cccc(CCCSc2ncccn2)c1 ZINC000182208417 366874240 /nfs/dbraw/zinc/87/42/40/366874240.db2.gz YJTBUQZJWKTVCA-UHFFFAOYSA-N 0 0 244.363 3.510 20 0 BHADRN CCc1ccc(NC(=O)c2ccoc2)cc1CC ZINC000182209295 366874025 /nfs/dbraw/zinc/87/40/25/366874025.db2.gz YZVZDOMIRNZOOC-UHFFFAOYSA-N 0 0 243.306 3.657 20 0 BHADRN Cc1cc(/C=C(/C#N)C(=O)C(C)C)ccc1Cl ZINC000182209443 642973809 /nfs/dbraw/zinc/97/38/09/642973809.db2.gz CSQMFQNRFJNNHF-GHXNOFRVSA-N 0 0 247.725 3.781 20 0 BHADRN C[C@H](NC1(c2cccc(F)c2)CC1)c1ccco1 ZINC000182210007 366874882 /nfs/dbraw/zinc/87/48/82/366874882.db2.gz VEBMQNBPKIYGRG-NSHDSACASA-N 0 0 245.297 3.759 20 0 BHADRN C[C@@H](NC1(c2cccc(F)c2)CC1)c1ccco1 ZINC000182210035 366874582 /nfs/dbraw/zinc/87/45/82/366874582.db2.gz VEBMQNBPKIYGRG-LLVKDONJSA-N 0 0 245.297 3.759 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000182211714 384623066 /nfs/dbraw/zinc/62/30/66/384623066.db2.gz RRSHITDQDQBFEY-VXGBXAGGSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000182211734 384622304 /nfs/dbraw/zinc/62/23/04/384622304.db2.gz RRSHITDQDQBFEY-NWDGAFQWSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000182211753 384622059 /nfs/dbraw/zinc/62/20/59/384622059.db2.gz RRSHITDQDQBFEY-NEPJUHHUSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000182211777 384622600 /nfs/dbraw/zinc/62/26/00/384622600.db2.gz RRSHITDQDQBFEY-RYUDHWBXSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000182211990 385643875 /nfs/dbraw/zinc/64/38/75/385643875.db2.gz KJQDUGYBFPTASY-ZYHUDNBSSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000182212006 171360545 /nfs/dbraw/zinc/36/05/45/171360545.db2.gz KJQDUGYBFPTASY-CMPLNLGQSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000182212023 385644341 /nfs/dbraw/zinc/64/43/41/385644341.db2.gz KJQDUGYBFPTASY-PWSUYJOCSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000182212044 171385239 /nfs/dbraw/zinc/38/52/39/171385239.db2.gz KJQDUGYBFPTASY-JQWIXIFHSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000182213378 384623952 /nfs/dbraw/zinc/62/39/52/384623952.db2.gz PTBKJYGXACWUTL-ZWNOBZJWSA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000182213395 384617001 /nfs/dbraw/zinc/61/70/01/384617001.db2.gz PTBKJYGXACWUTL-GXFFZTMASA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000182213416 384616380 /nfs/dbraw/zinc/61/63/80/384616380.db2.gz PTBKJYGXACWUTL-MFKMUULPSA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000182213431 384615306 /nfs/dbraw/zinc/61/53/06/384615306.db2.gz PTBKJYGXACWUTL-GWCFXTLKSA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000182213745 384623535 /nfs/dbraw/zinc/62/35/35/384623535.db2.gz FHRONIFMPUXALX-DGCLKSJQSA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000182213765 384621300 /nfs/dbraw/zinc/62/13/00/384621300.db2.gz FHRONIFMPUXALX-WCQYABFASA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000182213783 384621759 /nfs/dbraw/zinc/62/17/59/384621759.db2.gz FHRONIFMPUXALX-YPMHNXCESA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000182213803 384623976 /nfs/dbraw/zinc/62/39/76/384623976.db2.gz FHRONIFMPUXALX-AAEUAGOBSA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000182215539 384678633 /nfs/dbraw/zinc/67/86/33/384678633.db2.gz AKRYJKZJAUPXNQ-NXEZZACHSA-N 0 0 239.746 3.961 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000182215557 384680648 /nfs/dbraw/zinc/68/06/48/384680648.db2.gz AKRYJKZJAUPXNQ-VHSXEESVSA-N 0 0 239.746 3.961 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000182215575 397871711 /nfs/dbraw/zinc/87/17/11/397871711.db2.gz AKRYJKZJAUPXNQ-ZJUUUORDSA-N 0 0 239.746 3.961 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000182215596 397871743 /nfs/dbraw/zinc/87/17/43/397871743.db2.gz AKRYJKZJAUPXNQ-UWVGGRQHSA-N 0 0 239.746 3.961 20 0 BHADRN CCCCC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182216670 259378076 /nfs/dbraw/zinc/37/80/76/259378076.db2.gz SZLPZFSAMBSLEQ-BLLLJJGKSA-N 0 0 245.366 3.535 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000182216993 259378147 /nfs/dbraw/zinc/37/81/47/259378147.db2.gz PHRKURRNCAAOMG-VXGBXAGGSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000182217010 259378207 /nfs/dbraw/zinc/37/82/07/259378207.db2.gz PHRKURRNCAAOMG-NWDGAFQWSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000182217026 259378120 /nfs/dbraw/zinc/37/81/20/259378120.db2.gz PHRKURRNCAAOMG-NEPJUHHUSA-N 0 0 219.328 3.616 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000182217046 259378017 /nfs/dbraw/zinc/37/80/17/259378017.db2.gz PHRKURRNCAAOMG-RYUDHWBXSA-N 0 0 219.328 3.616 20 0 BHADRN Cc1cc(NCc2c(C)cc(C)cc2C)no1 ZINC000182219350 366876050 /nfs/dbraw/zinc/87/60/50/366876050.db2.gz BYAANQDWLZPNGI-UHFFFAOYSA-N 0 0 230.311 3.520 20 0 BHADRN CCC(=O)Nc1ccc(N[C@@H](C)C2CCC2)cc1 ZINC000182222692 385433535 /nfs/dbraw/zinc/43/35/35/385433535.db2.gz BCTMSEWUTUISPT-NSHDSACASA-N 0 0 246.354 3.636 20 0 BHADRN CCC(=O)Nc1ccc(N[C@H](C)C2CCC2)cc1 ZINC000182222711 385434379 /nfs/dbraw/zinc/43/43/79/385434379.db2.gz BCTMSEWUTUISPT-LLVKDONJSA-N 0 0 246.354 3.636 20 0 BHADRN CCC(=O)Nc1ccc(N[C@@H](C)C(C)(C)C)cc1 ZINC000182226897 385646471 /nfs/dbraw/zinc/64/64/71/385646471.db2.gz UPGBLTMBFZERDH-NSHDSACASA-N 0 0 248.370 3.882 20 0 BHADRN CCC(=O)Nc1ccc(N[C@H](C)C(C)(C)C)cc1 ZINC000182226915 188168691 /nfs/dbraw/zinc/16/86/91/188168691.db2.gz UPGBLTMBFZERDH-LLVKDONJSA-N 0 0 248.370 3.882 20 0 BHADRN C[C@H](NC1(c2ccccc2F)CC1)c1ccco1 ZINC000182232238 385647850 /nfs/dbraw/zinc/64/78/50/385647850.db2.gz HIBODDOXRSMOMG-NSHDSACASA-N 0 0 245.297 3.759 20 0 BHADRN C[C@@H](NC1(c2ccccc2F)CC1)c1ccco1 ZINC000182232259 385646028 /nfs/dbraw/zinc/64/60/28/385646028.db2.gz HIBODDOXRSMOMG-LLVKDONJSA-N 0 0 245.297 3.759 20 0 BHADRN C[C@H](NC1(c2ccccc2F)CC1)c1ccoc1 ZINC000182235766 366877690 /nfs/dbraw/zinc/87/76/90/366877690.db2.gz UNGVSLIIHLKJPW-NSHDSACASA-N 0 0 245.297 3.759 20 0 BHADRN C[C@@H](NC1(c2ccccc2F)CC1)c1ccoc1 ZINC000182235787 366877344 /nfs/dbraw/zinc/87/73/44/366877344.db2.gz UNGVSLIIHLKJPW-LLVKDONJSA-N 0 0 245.297 3.759 20 0 BHADRN CC[C@H](Nc1cccc(N(C)C(C)=O)c1)C(C)C ZINC000182260576 171551716 /nfs/dbraw/zinc/55/17/16/171551716.db2.gz MIQHXUVBHXQMCC-HNNXBMFYSA-N 0 0 248.370 3.516 20 0 BHADRN CC[C@@H](Nc1cccc(N(C)C(C)=O)c1)C(C)C ZINC000182260593 347090228 /nfs/dbraw/zinc/09/02/28/347090228.db2.gz MIQHXUVBHXQMCC-OAHLLOKOSA-N 0 0 248.370 3.516 20 0 BHADRN CCOc1ccc(N[C@@H](C)C2CCC2)cc1OC ZINC000182265695 642985671 /nfs/dbraw/zinc/98/56/71/642985671.db2.gz PPTYKPGWAOXWQP-NSHDSACASA-N 0 0 249.354 3.694 20 0 BHADRN CCOc1ccc(N[C@H](C)C2CCC2)cc1OC ZINC000182265716 642985307 /nfs/dbraw/zinc/98/53/07/642985307.db2.gz PPTYKPGWAOXWQP-LLVKDONJSA-N 0 0 249.354 3.694 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000182277565 385651307 /nfs/dbraw/zinc/65/13/07/385651307.db2.gz LFNZRIJTTPKGRM-RKDXNWHRSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000182277583 171360778 /nfs/dbraw/zinc/36/07/78/171360778.db2.gz LFNZRIJTTPKGRM-DTWKUNHWSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000182277602 385651360 /nfs/dbraw/zinc/65/13/60/385651360.db2.gz LFNZRIJTTPKGRM-BDAKNGLRSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000182277619 171385123 /nfs/dbraw/zinc/38/51/23/171385123.db2.gz LFNZRIJTTPKGRM-IUCAKERBSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000182278043 385651703 /nfs/dbraw/zinc/65/17/03/385651703.db2.gz FAGHOTGISQXQGN-RKDXNWHRSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000182278064 171360794 /nfs/dbraw/zinc/36/07/94/171360794.db2.gz FAGHOTGISQXQGN-DTWKUNHWSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000182278085 385652265 /nfs/dbraw/zinc/65/22/65/385652265.db2.gz FAGHOTGISQXQGN-BDAKNGLRSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000182278104 171385661 /nfs/dbraw/zinc/38/56/61/171385661.db2.gz FAGHOTGISQXQGN-IUCAKERBSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@@H](C)CSc1nncc2ccccc21 ZINC000182279733 366880423 /nfs/dbraw/zinc/88/04/23/366880423.db2.gz WUAVZSOIEUSHFU-SNVBAGLBSA-N 0 0 232.352 3.768 20 0 BHADRN CC[C@H](C)CSc1nncc2ccccc21 ZINC000182279748 366881299 /nfs/dbraw/zinc/88/12/99/366881299.db2.gz WUAVZSOIEUSHFU-JTQLQIEISA-N 0 0 232.352 3.768 20 0 BHADRN Cc1cccc(C[S@@](=O)CCCC(C)C)c1 ZINC000182280435 188168042 /nfs/dbraw/zinc/16/80/42/188168042.db2.gz JKLRNPLZTDYIPM-INIZCTEOSA-N 0 0 238.396 3.680 20 0 BHADRN Cc1cccc(C[S@](=O)CCCC(C)C)c1 ZINC000182280452 191127360 /nfs/dbraw/zinc/12/73/60/191127360.db2.gz JKLRNPLZTDYIPM-MRXNPFEDSA-N 0 0 238.396 3.680 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000182280866 134343927 /nfs/dbraw/zinc/34/39/27/134343927.db2.gz SVKVCAQUSVFSGJ-GHMZBOCLSA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000182280886 134343879 /nfs/dbraw/zinc/34/38/79/134343879.db2.gz SVKVCAQUSVFSGJ-WDEREUQCSA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000182280907 134344212 /nfs/dbraw/zinc/34/42/12/134344212.db2.gz SVKVCAQUSVFSGJ-MNOVXSKESA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000182280920 134344001 /nfs/dbraw/zinc/34/40/01/134344001.db2.gz SVKVCAQUSVFSGJ-QWRGUYRKSA-N 0 0 247.338 3.510 20 0 BHADRN CC(C)CCC[S@@](=O)[C@@H](C)c1ccccc1 ZINC000182287623 385651628 /nfs/dbraw/zinc/65/16/28/385651628.db2.gz FRDCHZCZUMZASU-XJKSGUPXSA-N 0 0 238.396 3.933 20 0 BHADRN CC(C)CCC[S@](=O)[C@@H](C)c1ccccc1 ZINC000182287643 385651562 /nfs/dbraw/zinc/65/15/62/385651562.db2.gz FRDCHZCZUMZASU-BBRMVZONSA-N 0 0 238.396 3.933 20 0 BHADRN CC(C)CCC[S@@](=O)[C@H](C)c1ccccc1 ZINC000182287663 385651575 /nfs/dbraw/zinc/65/15/75/385651575.db2.gz FRDCHZCZUMZASU-CZUORRHYSA-N 0 0 238.396 3.933 20 0 BHADRN CC(C)CCC[S@](=O)[C@H](C)c1ccccc1 ZINC000182287684 385652629 /nfs/dbraw/zinc/65/26/29/385652629.db2.gz FRDCHZCZUMZASU-CJNGLKHVSA-N 0 0 238.396 3.933 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000182287882 170769597 /nfs/dbraw/zinc/76/95/97/170769597.db2.gz RPISOXFVDBNXEY-RKDXNWHRSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000182287901 171360538 /nfs/dbraw/zinc/36/05/38/171360538.db2.gz RPISOXFVDBNXEY-DTWKUNHWSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000182287917 385654188 /nfs/dbraw/zinc/65/41/88/385654188.db2.gz RPISOXFVDBNXEY-BDAKNGLRSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000182287936 171385679 /nfs/dbraw/zinc/38/56/79/171385679.db2.gz RPISOXFVDBNXEY-IUCAKERBSA-N 0 0 241.281 3.586 20 0 BHADRN Cc1cccc(NC(=O)C(C2CC2)C2CC2)c1F ZINC000182291968 179124944 /nfs/dbraw/zinc/12/49/44/179124944.db2.gz YDFQMGREIAIDHR-UHFFFAOYSA-N 0 0 247.313 3.509 20 0 BHADRN CCC(C)(C)C(=O)Nc1cccc(C)c1F ZINC000182295037 168268503 /nfs/dbraw/zinc/26/85/03/168268503.db2.gz GPSCFKCYAKYZPV-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000182297075 385644473 /nfs/dbraw/zinc/64/44/73/385644473.db2.gz PUEIRFJKVLWAEI-MWLCHTKSSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000182297094 385645289 /nfs/dbraw/zinc/64/52/89/385645289.db2.gz PUEIRFJKVLWAEI-GXSJLCMTSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000182297111 385648231 /nfs/dbraw/zinc/64/82/31/385648231.db2.gz PUEIRFJKVLWAEI-KOLCDFICSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000182297126 385650094 /nfs/dbraw/zinc/65/00/94/385650094.db2.gz PUEIRFJKVLWAEI-ONGXEEELSA-N 0 0 237.318 3.755 20 0 BHADRN CC(C)CCC[S@@](=O)Cc1ccccc1F ZINC000182300956 166824872 /nfs/dbraw/zinc/82/48/72/166824872.db2.gz GAKIWLCLWORFLI-MRXNPFEDSA-N 0 0 242.359 3.511 20 0 BHADRN CC(C)CCC[S@](=O)Cc1ccccc1F ZINC000182300977 385654877 /nfs/dbraw/zinc/65/48/77/385654877.db2.gz GAKIWLCLWORFLI-INIZCTEOSA-N 0 0 242.359 3.511 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000182301319 385653924 /nfs/dbraw/zinc/65/39/24/385653924.db2.gz HKXHXPXGBWFZAQ-VXGBXAGGSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000182301339 171360756 /nfs/dbraw/zinc/36/07/56/171360756.db2.gz HKXHXPXGBWFZAQ-NWDGAFQWSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000182301357 385654017 /nfs/dbraw/zinc/65/40/17/385654017.db2.gz HKXHXPXGBWFZAQ-NEPJUHHUSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000182301373 171385202 /nfs/dbraw/zinc/38/52/02/171385202.db2.gz HKXHXPXGBWFZAQ-RYUDHWBXSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000182302621 385701898 /nfs/dbraw/zinc/70/18/98/385701898.db2.gz LQMFPMCYMQLWMJ-ZIAGYGMSSA-N 0 0 247.382 3.717 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000182302642 385701594 /nfs/dbraw/zinc/70/15/94/385701594.db2.gz LQMFPMCYMQLWMJ-UONOGXRCSA-N 0 0 247.382 3.717 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000182302664 259376233 /nfs/dbraw/zinc/37/62/33/259376233.db2.gz LQMFPMCYMQLWMJ-KGLIPLIRSA-N 0 0 247.382 3.717 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000182302680 385704571 /nfs/dbraw/zinc/70/45/71/385704571.db2.gz LQMFPMCYMQLWMJ-KBPBESRZSA-N 0 0 247.382 3.717 20 0 BHADRN Cc1ccc(C[S@@](=O)CCCC(C)C)cc1 ZINC000182304096 385655197 /nfs/dbraw/zinc/65/51/97/385655197.db2.gz FASKASUARXQQPZ-INIZCTEOSA-N 0 0 238.396 3.680 20 0 BHADRN Cc1ccc(C[S@](=O)CCCC(C)C)cc1 ZINC000182304117 188168337 /nfs/dbraw/zinc/16/83/37/188168337.db2.gz FASKASUARXQQPZ-MRXNPFEDSA-N 0 0 238.396 3.680 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)NC1CCCCCC1 ZINC000182306701 385775766 /nfs/dbraw/zinc/77/57/66/385775766.db2.gz ZTCCLHVOVZRQBQ-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NC1CCCCCC1 ZINC000182306720 385774949 /nfs/dbraw/zinc/77/49/49/385774949.db2.gz ZTCCLHVOVZRQBQ-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NC1CCCCCC1 ZINC000182306738 385775904 /nfs/dbraw/zinc/77/59/04/385775904.db2.gz ZTCCLHVOVZRQBQ-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NC1CCCCCC1 ZINC000182306756 385776608 /nfs/dbraw/zinc/77/66/08/385776608.db2.gz ZTCCLHVOVZRQBQ-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCC[S@@](=O)Cc1ccc(F)cc1 ZINC000182307462 385654854 /nfs/dbraw/zinc/65/48/54/385654854.db2.gz XWRYRSBKILQSFE-MRXNPFEDSA-N 0 0 242.359 3.511 20 0 BHADRN CC(C)CCC[S@](=O)Cc1ccc(F)cc1 ZINC000182307478 385654413 /nfs/dbraw/zinc/65/44/13/385654413.db2.gz XWRYRSBKILQSFE-INIZCTEOSA-N 0 0 242.359 3.511 20 0 BHADRN Cc1cccc(NC(=O)C2[C@@H]3CCCC[C@H]23)c1F ZINC000182312518 179125990 /nfs/dbraw/zinc/12/59/90/179125990.db2.gz ZTLYKGRBQWHJQV-QYJAPNMZSA-N 0 0 247.313 3.509 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000182313394 350617191 /nfs/dbraw/zinc/61/71/91/350617191.db2.gz WPVBRWVRZCPSFI-CHWSQXEVSA-N 0 0 237.387 3.675 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000182313413 350615412 /nfs/dbraw/zinc/61/54/12/350615412.db2.gz WPVBRWVRZCPSFI-QWHCGFSZSA-N 0 0 237.387 3.675 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000182313435 350616064 /nfs/dbraw/zinc/61/60/64/350616064.db2.gz WPVBRWVRZCPSFI-OLZOCXBDSA-N 0 0 237.387 3.675 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000182313451 350616080 /nfs/dbraw/zinc/61/60/80/350616080.db2.gz WPVBRWVRZCPSFI-STQMWFEESA-N 0 0 237.387 3.675 20 0 BHADRN Cc1ccccc1C[S@@](=O)CCCC(C)C ZINC000182315319 179291712 /nfs/dbraw/zinc/29/17/12/179291712.db2.gz TUJXQKCPMKGSLK-INIZCTEOSA-N 0 0 238.396 3.680 20 0 BHADRN Cc1ccccc1C[S@](=O)CCCC(C)C ZINC000182315337 179293615 /nfs/dbraw/zinc/29/36/15/179293615.db2.gz TUJXQKCPMKGSLK-MRXNPFEDSA-N 0 0 238.396 3.680 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000182317315 385837411 /nfs/dbraw/zinc/83/74/11/385837411.db2.gz FATRTQNVDIZIEK-GHMZBOCLSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000182317334 385837488 /nfs/dbraw/zinc/83/74/88/385837488.db2.gz FATRTQNVDIZIEK-WDEREUQCSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000182317352 385837737 /nfs/dbraw/zinc/83/77/37/385837737.db2.gz FATRTQNVDIZIEK-MNOVXSKESA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000182317372 385837468 /nfs/dbraw/zinc/83/74/68/385837468.db2.gz FATRTQNVDIZIEK-QWRGUYRKSA-N 0 0 237.318 3.755 20 0 BHADRN CC(C)CCC[S@@](=O)Cc1cccc(F)c1 ZINC000182321756 385657920 /nfs/dbraw/zinc/65/79/20/385657920.db2.gz WGNDUPUKMRSNDN-MRXNPFEDSA-N 0 0 242.359 3.511 20 0 BHADRN CC(C)CCC[S@](=O)Cc1cccc(F)c1 ZINC000182321772 385655776 /nfs/dbraw/zinc/65/57/76/385655776.db2.gz WGNDUPUKMRSNDN-INIZCTEOSA-N 0 0 242.359 3.511 20 0 BHADRN Cc1cccc(NCc2nccn2C(C)C)c1F ZINC000182327699 179151728 /nfs/dbraw/zinc/15/17/28/179151728.db2.gz GEEYTKOXYRTUGE-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN CCC1(C(=O)Nc2cccc(C)c2F)CCC1 ZINC000182329118 366885613 /nfs/dbraw/zinc/88/56/13/366885613.db2.gz ZMMSMKLUDJHNLI-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN CCC(CC)C(=O)Nc1cccc(C)c1F ZINC000182329820 168341373 /nfs/dbraw/zinc/34/13/73/168341373.db2.gz WXYOKPGCFOVGHI-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CCOc1ccccc1NC(=O)[C@H](C)[C@H](C)CC ZINC000182331763 385658636 /nfs/dbraw/zinc/65/86/36/385658636.db2.gz WDUIDAJGROXYEI-VXGBXAGGSA-N 0 0 249.354 3.706 20 0 BHADRN CCOc1ccccc1NC(=O)[C@H](C)[C@@H](C)CC ZINC000182331779 385658468 /nfs/dbraw/zinc/65/84/68/385658468.db2.gz WDUIDAJGROXYEI-NWDGAFQWSA-N 0 0 249.354 3.706 20 0 BHADRN CCOc1ccccc1NC(=O)[C@@H](C)[C@H](C)CC ZINC000182331798 385659199 /nfs/dbraw/zinc/65/91/99/385659199.db2.gz WDUIDAJGROXYEI-NEPJUHHUSA-N 0 0 249.354 3.706 20 0 BHADRN CCOc1ccccc1NC(=O)[C@@H](C)[C@@H](C)CC ZINC000182331816 385659895 /nfs/dbraw/zinc/65/98/95/385659895.db2.gz WDUIDAJGROXYEI-RYUDHWBXSA-N 0 0 249.354 3.706 20 0 BHADRN Cc1cscc1C(=O)Nc1cccc(C)c1F ZINC000182336738 366887147 /nfs/dbraw/zinc/88/71/47/366887147.db2.gz FSUIRDNDTIXECC-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C)ccc1F ZINC000182346445 386011092 /nfs/dbraw/zinc/01/10/92/386011092.db2.gz UTILFSMPIQGEAM-GHMZBOCLSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C)ccc1F ZINC000182346465 386012082 /nfs/dbraw/zinc/01/20/82/386012082.db2.gz UTILFSMPIQGEAM-WDEREUQCSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C)ccc1F ZINC000182346481 386010716 /nfs/dbraw/zinc/01/07/16/386010716.db2.gz UTILFSMPIQGEAM-MNOVXSKESA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cc(C)ccc1F ZINC000182346497 386012179 /nfs/dbraw/zinc/01/21/79/386012179.db2.gz UTILFSMPIQGEAM-QWRGUYRKSA-N 0 0 237.318 3.755 20 0 BHADRN CC(C)c1noc(CSCC2CCCC2)n1 ZINC000182349843 366888428 /nfs/dbraw/zinc/88/84/28/366888428.db2.gz GUICGBJOUINLMO-UHFFFAOYSA-N 0 0 240.372 3.616 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000182352850 385661953 /nfs/dbraw/zinc/66/19/53/385661953.db2.gz PFZBCSUICCZDDA-ZWNOBZJWSA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000182352865 171360971 /nfs/dbraw/zinc/36/09/71/171360971.db2.gz PFZBCSUICCZDDA-GXFFZTMASA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000182352884 385660985 /nfs/dbraw/zinc/66/09/85/385660985.db2.gz PFZBCSUICCZDDA-MFKMUULPSA-N 0 0 233.355 3.924 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000182352903 171385494 /nfs/dbraw/zinc/38/54/94/171385494.db2.gz PFZBCSUICCZDDA-GWCFXTLKSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1nc(CSCC2CCCC2)cs1 ZINC000182353511 366890267 /nfs/dbraw/zinc/89/02/67/366890267.db2.gz BGERKDLNQXJAII-UHFFFAOYSA-N 0 0 227.398 3.875 20 0 BHADRN CC(C)c1nc(CSCC2CCCC2)no1 ZINC000182353992 366889508 /nfs/dbraw/zinc/88/95/08/366889508.db2.gz JMRSIUHVKGYXGE-UHFFFAOYSA-N 0 0 240.372 3.616 20 0 BHADRN Cc1ncc(CSCC2CCCC2)s1 ZINC000182354197 366889608 /nfs/dbraw/zinc/88/96/08/366889608.db2.gz CKWALZHDQGICNJ-UHFFFAOYSA-N 0 0 227.398 3.875 20 0 BHADRN CC(C)n1ccc(CSCC2CCCC2)n1 ZINC000182354639 366889936 /nfs/dbraw/zinc/88/99/36/366889936.db2.gz PPBHRAQVUMCEBA-UHFFFAOYSA-N 0 0 238.400 3.887 20 0 BHADRN FC(F)n1ccnc1CSCC1CCCC1 ZINC000182357216 385662506 /nfs/dbraw/zinc/66/25/06/385662506.db2.gz NMOBDBKVSGQKMD-UHFFFAOYSA-N 0 0 246.326 3.702 20 0 BHADRN Cc1csc(CSCC2CCCC2)n1 ZINC000182357730 366891506 /nfs/dbraw/zinc/89/15/06/366891506.db2.gz CDBNJZZKDZNVLA-UHFFFAOYSA-N 0 0 227.398 3.875 20 0 BHADRN c1csc(CSCC2CCCC2)n1 ZINC000182359336 385441836 /nfs/dbraw/zinc/44/18/36/385441836.db2.gz HTQOAOXTGUCFTA-UHFFFAOYSA-N 0 0 213.371 3.567 20 0 BHADRN Cc1cnc(CSCC2CCCC2)s1 ZINC000182360357 643001599 /nfs/dbraw/zinc/00/15/99/643001599.db2.gz IURBMBDZIJHDHZ-UHFFFAOYSA-N 0 0 227.398 3.875 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)c1ccccn1 ZINC000182361687 385662396 /nfs/dbraw/zinc/66/23/96/385662396.db2.gz CEDMRCFHZSDKOD-CYBMUJFWSA-N 0 0 248.370 3.651 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)c1ccccn1 ZINC000182361705 168744535 /nfs/dbraw/zinc/74/45/35/168744535.db2.gz CEDMRCFHZSDKOD-ZDUSSCGKSA-N 0 0 248.370 3.651 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000182369922 134344651 /nfs/dbraw/zinc/34/46/51/134344651.db2.gz CWNJLDSAYQDLNW-GHMZBOCLSA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000182369942 134344421 /nfs/dbraw/zinc/34/44/21/134344421.db2.gz CWNJLDSAYQDLNW-WDEREUQCSA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000182369959 134344723 /nfs/dbraw/zinc/34/47/23/134344723.db2.gz CWNJLDSAYQDLNW-MNOVXSKESA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000182369973 134344561 /nfs/dbraw/zinc/34/45/61/134344561.db2.gz CWNJLDSAYQDLNW-QWRGUYRKSA-N 0 0 247.338 3.510 20 0 BHADRN Fc1cccc(F)c1CSc1ccccn1 ZINC000182392660 134344960 /nfs/dbraw/zinc/34/49/60/134344960.db2.gz MRPPHDXBNDYUSA-UHFFFAOYSA-N 0 0 237.274 3.652 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H](C)[C@@H](C)CC ZINC000182404769 386171229 /nfs/dbraw/zinc/17/12/29/386171229.db2.gz CBDASCZOARFQKK-RYUDHWBXSA-N 0 0 233.355 3.870 20 0 BHADRN CCc1ccccc1NC(=O)[C@H](C)[C@@H](C)CC ZINC000182404786 259426633 /nfs/dbraw/zinc/42/66/33/259426633.db2.gz CBDASCZOARFQKK-NWDGAFQWSA-N 0 0 233.355 3.870 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H](C)[C@H](C)CC ZINC000182404803 386172179 /nfs/dbraw/zinc/17/21/79/386172179.db2.gz CBDASCZOARFQKK-NEPJUHHUSA-N 0 0 233.355 3.870 20 0 BHADRN CCc1ccccc1NC(=O)[C@H](C)[C@H](C)CC ZINC000182404821 386172315 /nfs/dbraw/zinc/17/23/15/386172315.db2.gz CBDASCZOARFQKK-VXGBXAGGSA-N 0 0 233.355 3.870 20 0 BHADRN CCc1cc(NCc2ncc(C)s2)ccc1C ZINC000182411555 366899653 /nfs/dbraw/zinc/89/96/53/366899653.db2.gz ASWQTZLLHKHPNA-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CCc1cc(NCc2nc(C)c(C)o2)ccc1C ZINC000182414295 385445359 /nfs/dbraw/zinc/44/53/59/385445359.db2.gz RMUZNSNQSAYKLP-UHFFFAOYSA-N 0 0 244.338 3.774 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(F)cc1C ZINC000182420346 386192587 /nfs/dbraw/zinc/19/25/87/386192587.db2.gz FOYLVNNYCANJMP-MWLCHTKSSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(F)cc1C ZINC000182420363 386193547 /nfs/dbraw/zinc/19/35/47/386193547.db2.gz FOYLVNNYCANJMP-GXSJLCMTSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(F)cc1C ZINC000182420383 386193024 /nfs/dbraw/zinc/19/30/24/386193024.db2.gz FOYLVNNYCANJMP-KOLCDFICSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(F)cc1C ZINC000182420400 386192869 /nfs/dbraw/zinc/19/28/69/386192869.db2.gz FOYLVNNYCANJMP-ONGXEEELSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000182450136 256513674 /nfs/dbraw/zinc/51/36/74/256513674.db2.gz HYNBYRJHGMGNHG-ZIAGYGMSSA-N 0 0 247.382 3.636 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000182450154 384279786 /nfs/dbraw/zinc/27/97/86/384279786.db2.gz HYNBYRJHGMGNHG-UONOGXRCSA-N 0 0 247.382 3.636 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000182450173 384279306 /nfs/dbraw/zinc/27/93/06/384279306.db2.gz HYNBYRJHGMGNHG-KGLIPLIRSA-N 0 0 247.382 3.636 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000182450192 256513399 /nfs/dbraw/zinc/51/33/99/256513399.db2.gz HYNBYRJHGMGNHG-KBPBESRZSA-N 0 0 247.382 3.636 20 0 BHADRN COCCC[C@H](C)Nc1cc(C)ccc1C ZINC000182478380 174264860 /nfs/dbraw/zinc/26/48/60/174264860.db2.gz SAZBZTJPAHIGAB-ZDUSSCGKSA-N 0 0 221.344 3.530 20 0 BHADRN COCCC[C@@H](C)Nc1cc(C)ccc1C ZINC000182478398 174261481 /nfs/dbraw/zinc/26/14/81/174261481.db2.gz SAZBZTJPAHIGAB-CYBMUJFWSA-N 0 0 221.344 3.530 20 0 BHADRN C[C@H](Nc1ccccc1OCC(F)F)C1CC1 ZINC000182488556 345934055 /nfs/dbraw/zinc/93/40/55/345934055.db2.gz BYMVUTQUYNYANS-VIFPVBQESA-N 0 0 241.281 3.541 20 0 BHADRN C[C@@H](Nc1ccccc1OCC(F)F)C1CC1 ZINC000182488579 345933624 /nfs/dbraw/zinc/93/36/24/345933624.db2.gz BYMVUTQUYNYANS-SECBINFHSA-N 0 0 241.281 3.541 20 0 BHADRN COCCC[C@H](C)Nc1cccc(Cl)c1C ZINC000182508366 205675675 /nfs/dbraw/zinc/67/56/75/205675675.db2.gz RZXWAGHVDDNSMU-JTQLQIEISA-N 0 0 241.762 3.875 20 0 BHADRN COCCC[C@@H](C)Nc1cccc(Cl)c1C ZINC000182508386 385453079 /nfs/dbraw/zinc/45/30/79/385453079.db2.gz RZXWAGHVDDNSMU-SNVBAGLBSA-N 0 0 241.762 3.875 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)c1cncc(F)c1 ZINC000182514868 205674510 /nfs/dbraw/zinc/67/45/10/205674510.db2.gz HQVSYUGXGDGSBM-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)c1cncc(F)c1 ZINC000182514889 205674573 /nfs/dbraw/zinc/67/45/73/205674573.db2.gz HQVSYUGXGDGSBM-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CCN(C(=O)N(C)[C@@H](C)c1ccccc1)C(C)C ZINC000182518535 385677528 /nfs/dbraw/zinc/67/75/28/385677528.db2.gz OQSKKMZHUWHEHZ-ZDUSSCGKSA-N 0 0 248.370 3.530 20 0 BHADRN CCN(C(=O)N(C)[C@H](C)c1ccccc1)C(C)C ZINC000182518551 385676571 /nfs/dbraw/zinc/67/65/71/385676571.db2.gz OQSKKMZHUWHEHZ-CYBMUJFWSA-N 0 0 248.370 3.530 20 0 BHADRN COc1ccccc1N[C@H](C)c1cnc(C)s1 ZINC000182526351 538963490 /nfs/dbraw/zinc/96/34/90/538963490.db2.gz CHPSQDRLKYEQRT-SECBINFHSA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccccc1N[C@@H](C)c1cnc(C)s1 ZINC000182526369 538963341 /nfs/dbraw/zinc/96/33/41/538963341.db2.gz CHPSQDRLKYEQRT-VIFPVBQESA-N 0 0 248.351 3.633 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Oc1c(F)cccc1F ZINC000182536430 711895183 /nfs/dbraw/zinc/89/51/83/711895183.db2.gz WSHDMDXIEBNCAR-RKDXNWHRSA-N 0 0 242.265 3.552 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Oc1c(F)cccc1F ZINC000182536450 711895246 /nfs/dbraw/zinc/89/52/46/711895246.db2.gz WSHDMDXIEBNCAR-DTWKUNHWSA-N 0 0 242.265 3.552 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Oc1c(F)cccc1F ZINC000182536469 711895256 /nfs/dbraw/zinc/89/52/56/711895256.db2.gz WSHDMDXIEBNCAR-BDAKNGLRSA-N 0 0 242.265 3.552 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Oc1c(F)cccc1F ZINC000182536486 711895191 /nfs/dbraw/zinc/89/51/91/711895191.db2.gz WSHDMDXIEBNCAR-IUCAKERBSA-N 0 0 242.265 3.552 20 0 BHADRN COCCC[C@H](C)Nc1cccc(C)c1C ZINC000182537155 174264915 /nfs/dbraw/zinc/26/49/15/174264915.db2.gz SXRPZJFCYUGJLG-LBPRGKRZSA-N 0 0 221.344 3.530 20 0 BHADRN COCCC[C@@H](C)Nc1cccc(C)c1C ZINC000182537174 174261450 /nfs/dbraw/zinc/26/14/50/174261450.db2.gz SXRPZJFCYUGJLG-GFCCVEGCSA-N 0 0 221.344 3.530 20 0 BHADRN COCCC[C@H](C)Nc1cc(Cl)ccc1C ZINC000182550957 385458557 /nfs/dbraw/zinc/45/85/57/385458557.db2.gz CUUISQDTDZTFHP-NSHDSACASA-N 0 0 241.762 3.875 20 0 BHADRN COCCC[C@@H](C)Nc1cc(Cl)ccc1C ZINC000182551064 206012095 /nfs/dbraw/zinc/01/20/95/206012095.db2.gz CUUISQDTDZTFHP-LLVKDONJSA-N 0 0 241.762 3.875 20 0 BHADRN CCc1ccccc1N[C@@H](C)c1cncc(F)c1 ZINC000182552503 171889523 /nfs/dbraw/zinc/88/95/23/171889523.db2.gz PKIYAGPYWYPUGC-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccccc1N[C@H](C)c1cncc(F)c1 ZINC000182552521 385682514 /nfs/dbraw/zinc/68/25/14/385682514.db2.gz PKIYAGPYWYPUGC-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000182565993 386682427 /nfs/dbraw/zinc/68/24/27/386682427.db2.gz XRSFNRUCIDETLJ-CHWSQXEVSA-N 0 0 233.355 3.722 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000182566011 386682958 /nfs/dbraw/zinc/68/29/58/386682958.db2.gz XRSFNRUCIDETLJ-QWHCGFSZSA-N 0 0 233.355 3.722 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000182566032 386681483 /nfs/dbraw/zinc/68/14/83/386681483.db2.gz XRSFNRUCIDETLJ-OLZOCXBDSA-N 0 0 233.355 3.722 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000182566054 386682390 /nfs/dbraw/zinc/68/23/90/386682390.db2.gz XRSFNRUCIDETLJ-STQMWFEESA-N 0 0 233.355 3.722 20 0 BHADRN CCCn1cc(N[C@@H](CC)c2ccccc2)cn1 ZINC000182579824 643030990 /nfs/dbraw/zinc/03/09/90/643030990.db2.gz VEBNQPBMSCAWMW-HNNXBMFYSA-N 0 0 243.354 3.856 20 0 BHADRN CCCn1cc(N[C@H](CC)c2ccccc2)cn1 ZINC000182579848 643030059 /nfs/dbraw/zinc/03/00/59/643030059.db2.gz VEBNQPBMSCAWMW-OAHLLOKOSA-N 0 0 243.354 3.856 20 0 BHADRN CCCn1cc(N[C@@H](CC)c2cccs2)cn1 ZINC000182580305 643029518 /nfs/dbraw/zinc/02/95/18/643029518.db2.gz JGWQXJYFXNHDPU-LBPRGKRZSA-N 0 0 249.383 3.918 20 0 BHADRN CCCn1cc(N[C@H](CC)c2cccs2)cn1 ZINC000182580325 643030317 /nfs/dbraw/zinc/03/03/17/643030317.db2.gz JGWQXJYFXNHDPU-GFCCVEGCSA-N 0 0 249.383 3.918 20 0 BHADRN CCCn1cc(N[C@@H](C)c2ccc(F)cc2)cn1 ZINC000182582160 643031876 /nfs/dbraw/zinc/03/18/76/643031876.db2.gz ANFUJYMBHWKBTM-NSHDSACASA-N 0 0 247.317 3.605 20 0 BHADRN CCCn1cc(N[C@H](C)c2ccc(F)cc2)cn1 ZINC000182582178 643032160 /nfs/dbraw/zinc/03/21/60/643032160.db2.gz ANFUJYMBHWKBTM-LLVKDONJSA-N 0 0 247.317 3.605 20 0 BHADRN CCCn1cc(N[C@@H](C)c2ccccc2C)cn1 ZINC000182582252 643032021 /nfs/dbraw/zinc/03/20/21/643032021.db2.gz HAFMCHXTYUYHCP-ZDUSSCGKSA-N 0 0 243.354 3.775 20 0 BHADRN CCCn1cc(N[C@H](C)c2ccccc2C)cn1 ZINC000182582278 643032322 /nfs/dbraw/zinc/03/23/22/643032322.db2.gz HAFMCHXTYUYHCP-CYBMUJFWSA-N 0 0 243.354 3.775 20 0 BHADRN CCCn1cc(N[C@@H](C)c2ccccc2F)cn1 ZINC000182583788 643040206 /nfs/dbraw/zinc/04/02/06/643040206.db2.gz WZLBJVFZYZMDQN-NSHDSACASA-N 0 0 247.317 3.605 20 0 BHADRN CCCn1cc(N[C@H](C)c2ccccc2F)cn1 ZINC000182583808 643039432 /nfs/dbraw/zinc/03/94/32/643039432.db2.gz WZLBJVFZYZMDQN-LLVKDONJSA-N 0 0 247.317 3.605 20 0 BHADRN CCCn1cc(N[C@@H](C)c2cccc(C)c2)cn1 ZINC000182583913 643040240 /nfs/dbraw/zinc/04/02/40/643040240.db2.gz GSDQHHUTSQKQFH-ZDUSSCGKSA-N 0 0 243.354 3.775 20 0 BHADRN CCCn1cc(N[C@H](C)c2cccc(C)c2)cn1 ZINC000182583933 643039559 /nfs/dbraw/zinc/03/95/59/643039559.db2.gz GSDQHHUTSQKQFH-CYBMUJFWSA-N 0 0 243.354 3.775 20 0 BHADRN CCCn1cc(N[C@@H](C)c2ccc(CC)o2)cn1 ZINC000182584618 633950777 /nfs/dbraw/zinc/95/07/77/633950777.db2.gz PXJCJFATNWGVKN-NSHDSACASA-N 0 0 247.342 3.622 20 0 BHADRN CCCn1cc(N[C@H](C)c2ccc(CC)o2)cn1 ZINC000182584632 643039612 /nfs/dbraw/zinc/03/96/12/643039612.db2.gz PXJCJFATNWGVKN-LLVKDONJSA-N 0 0 247.342 3.622 20 0 BHADRN CCCn1cc(N[C@@H](C)c2ccc(C)s2)cn1 ZINC000182585557 643039880 /nfs/dbraw/zinc/03/98/80/643039880.db2.gz UXSQSAOZDMENFV-NSHDSACASA-N 0 0 249.383 3.836 20 0 BHADRN CCCn1cc(N[C@H](C)c2ccc(C)s2)cn1 ZINC000182585579 643039540 /nfs/dbraw/zinc/03/95/40/643039540.db2.gz UXSQSAOZDMENFV-LLVKDONJSA-N 0 0 249.383 3.836 20 0 BHADRN CCCn1cc(N[C@@H](C)c2cccc(F)c2)cn1 ZINC000182585872 643039569 /nfs/dbraw/zinc/03/95/69/643039569.db2.gz UMXXNEDKKBRQGV-NSHDSACASA-N 0 0 247.317 3.605 20 0 BHADRN CCCn1cc(N[C@H](C)c2cccc(F)c2)cn1 ZINC000182585890 643040201 /nfs/dbraw/zinc/04/02/01/643040201.db2.gz UMXXNEDKKBRQGV-LLVKDONJSA-N 0 0 247.317 3.605 20 0 BHADRN CCCn1cc(N[C@@H](C)c2sccc2C)cn1 ZINC000182587915 643039253 /nfs/dbraw/zinc/03/92/53/643039253.db2.gz VHMSUNXDJJIZAA-NSHDSACASA-N 0 0 249.383 3.836 20 0 BHADRN CCCn1cc(N[C@H](C)c2sccc2C)cn1 ZINC000182587939 643039365 /nfs/dbraw/zinc/03/93/65/643039365.db2.gz VHMSUNXDJJIZAA-LLVKDONJSA-N 0 0 249.383 3.836 20 0 BHADRN CCCn1cc(N[C@@H](C)c2ccc(C)cc2)cn1 ZINC000182589323 643040134 /nfs/dbraw/zinc/04/01/34/643040134.db2.gz KTMMRGPAGGFFER-ZDUSSCGKSA-N 0 0 243.354 3.775 20 0 BHADRN CCCn1cc(N[C@H](C)c2ccc(C)cc2)cn1 ZINC000182589343 643040056 /nfs/dbraw/zinc/04/00/56/643040056.db2.gz KTMMRGPAGGFFER-CYBMUJFWSA-N 0 0 243.354 3.775 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000182595451 256679216 /nfs/dbraw/zinc/67/92/16/256679216.db2.gz XDSJLWAZTZNDEP-MJBXVCDLSA-N 0 0 247.382 3.888 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000182595491 386688250 /nfs/dbraw/zinc/68/82/50/386688250.db2.gz XDSJLWAZTZNDEP-IHRRRGAJSA-N 0 0 247.382 3.888 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(O)c1C ZINC000182620407 385688737 /nfs/dbraw/zinc/68/87/37/385688737.db2.gz WGDHKKXPPRLZLI-MWLCHTKSSA-N 0 0 249.354 3.630 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)c(O)c1C ZINC000182620432 171360879 /nfs/dbraw/zinc/36/08/79/171360879.db2.gz WGDHKKXPPRLZLI-GXSJLCMTSA-N 0 0 249.354 3.630 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)c(O)c1C ZINC000182620453 385688203 /nfs/dbraw/zinc/68/82/03/385688203.db2.gz WGDHKKXPPRLZLI-KOLCDFICSA-N 0 0 249.354 3.630 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)c(O)c1C ZINC000182620475 171385455 /nfs/dbraw/zinc/38/54/55/171385455.db2.gz WGDHKKXPPRLZLI-ONGXEEELSA-N 0 0 249.354 3.630 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2cc(F)cc(F)c2)c1 ZINC000182636862 366925677 /nfs/dbraw/zinc/92/56/77/366925677.db2.gz ZCYPWGNYWISBBA-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccnc(N[C@H](C)c2cc(F)cc(F)c2)c1 ZINC000182636881 366925517 /nfs/dbraw/zinc/92/55/17/366925517.db2.gz ZCYPWGNYWISBBA-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cccc([C@@H](C)Nc2cc(C)ccn2)c1 ZINC000182637364 366926069 /nfs/dbraw/zinc/92/60/69/366926069.db2.gz HCGHNBNBZOKNFE-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1cccc([C@H](C)Nc2cc(C)ccn2)c1 ZINC000182637380 366925933 /nfs/dbraw/zinc/92/59/33/366925933.db2.gz HCGHNBNBZOKNFE-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN CCc1ccc([C@@H](C)Nc2cc(C)ccn2)o1 ZINC000182637661 366926243 /nfs/dbraw/zinc/92/62/43/366926243.db2.gz AIHLAVXLXGRWJW-LLVKDONJSA-N 0 0 230.311 3.719 20 0 BHADRN CCc1ccc([C@H](C)Nc2cc(C)ccn2)o1 ZINC000182637676 366925838 /nfs/dbraw/zinc/92/58/38/366925838.db2.gz AIHLAVXLXGRWJW-NSHDSACASA-N 0 0 230.311 3.719 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2cccnc2Cl)c1 ZINC000182638957 633953054 /nfs/dbraw/zinc/95/30/54/633953054.db2.gz ZTZGNLCDLOYUKR-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccnc(N[C@H](C)c2cccnc2Cl)c1 ZINC000182638973 633952647 /nfs/dbraw/zinc/95/26/47/633952647.db2.gz ZTZGNLCDLOYUKR-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2cc(F)ccc2F)c1 ZINC000182639542 366925621 /nfs/dbraw/zinc/92/56/21/366925621.db2.gz FGTRIWMLXUAOHH-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccnc(N[C@H](C)c2cc(F)ccc2F)c1 ZINC000182639563 366926188 /nfs/dbraw/zinc/92/61/88/366926188.db2.gz FGTRIWMLXUAOHH-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cncc(F)c2)c1 ZINC000182649369 179153780 /nfs/dbraw/zinc/15/37/80/179153780.db2.gz APNFYOXKHPCNHQ-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc(N[C@H](C)c2cncc(F)c2)c1 ZINC000182649385 179157255 /nfs/dbraw/zinc/15/72/55/179157255.db2.gz APNFYOXKHPCNHQ-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000182651082 179153978 /nfs/dbraw/zinc/15/39/78/179153978.db2.gz CEVQOHFTFAQOEQ-ZDUSSCGKSA-N 0 0 243.354 3.946 20 0 BHADRN Cc1cccc(N[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000182651103 179157937 /nfs/dbraw/zinc/15/79/37/179157937.db2.gz CEVQOHFTFAQOEQ-CYBMUJFWSA-N 0 0 243.354 3.946 20 0 BHADRN COc1cccc(N[C@H](C)c2cnc(C)s2)c1 ZINC000182653712 538963697 /nfs/dbraw/zinc/96/36/97/538963697.db2.gz GEXPJTOMUDQHBC-SECBINFHSA-N 0 0 248.351 3.633 20 0 BHADRN COc1cccc(N[C@@H](C)c2cnc(C)s2)c1 ZINC000182653732 538963669 /nfs/dbraw/zinc/96/36/69/538963669.db2.gz GEXPJTOMUDQHBC-VIFPVBQESA-N 0 0 248.351 3.633 20 0 BHADRN CCCCC[C@@H](CC)C(=O)OCc1cccnc1 ZINC000182663562 643053007 /nfs/dbraw/zinc/05/30/07/643053007.db2.gz HXLOJGHBLWECTJ-CQSZACIVSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCC[C@H](CC)C(=O)OCc1cccnc1 ZINC000182663580 643052408 /nfs/dbraw/zinc/05/24/08/643052408.db2.gz HXLOJGHBLWECTJ-AWEZNQCLSA-N 0 0 249.354 3.731 20 0 BHADRN C[C@H](Nc1ccc(F)cc1)c1cncc(F)c1 ZINC000182665865 366929630 /nfs/dbraw/zinc/92/96/30/366929630.db2.gz WTMDLGORSLNMRL-VIFPVBQESA-N 0 0 234.249 3.533 20 0 BHADRN C[C@@H](Nc1ccc(F)cc1)c1cncc(F)c1 ZINC000182665882 366929080 /nfs/dbraw/zinc/92/90/80/366929080.db2.gz WTMDLGORSLNMRL-SECBINFHSA-N 0 0 234.249 3.533 20 0 BHADRN CC(C)n1cc([C@@H](C)Nc2ccc(F)cc2)cn1 ZINC000182667324 491056672 /nfs/dbraw/zinc/05/66/72/491056672.db2.gz QQDRWEZAULZSBW-LLVKDONJSA-N 0 0 247.317 3.776 20 0 BHADRN CC(C)n1cc([C@H](C)Nc2ccc(F)cc2)cn1 ZINC000182667348 491056703 /nfs/dbraw/zinc/05/67/03/491056703.db2.gz QQDRWEZAULZSBW-NSHDSACASA-N 0 0 247.317 3.776 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cncc(F)c2)cc1 ZINC000182670801 366929271 /nfs/dbraw/zinc/92/92/71/366929271.db2.gz QDRBHTIREWMFIP-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(N[C@H](C)c2cncc(F)c2)cc1 ZINC000182670819 366929115 /nfs/dbraw/zinc/92/91/15/366929115.db2.gz QDRBHTIREWMFIP-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cnn(C(C)C)c2)cc1 ZINC000182672591 397863314 /nfs/dbraw/zinc/86/33/14/397863314.db2.gz YYHCFKLEHWPSJP-ZDUSSCGKSA-N 0 0 243.354 3.946 20 0 BHADRN Cc1ccc(N[C@H](C)c2cnn(C(C)C)c2)cc1 ZINC000182672606 397862836 /nfs/dbraw/zinc/86/28/36/397862836.db2.gz YYHCFKLEHWPSJP-CYBMUJFWSA-N 0 0 243.354 3.946 20 0 BHADRN CCCC(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000182680173 386757076 /nfs/dbraw/zinc/75/70/76/386757076.db2.gz PMHWDEAEIVANPC-UHFFFAOYSA-N 0 0 248.713 3.627 20 0 BHADRN C[C@H](Nc1cccc(F)c1)c1cncc(F)c1 ZINC000182683030 366932221 /nfs/dbraw/zinc/93/22/21/366932221.db2.gz ABHSMPYLBADMAV-VIFPVBQESA-N 0 0 234.249 3.533 20 0 BHADRN C[C@@H](Nc1cccc(F)c1)c1cncc(F)c1 ZINC000182683052 366932422 /nfs/dbraw/zinc/93/24/22/366932422.db2.gz ABHSMPYLBADMAV-SECBINFHSA-N 0 0 234.249 3.533 20 0 BHADRN CC(C)n1cc([C@@H](C)Nc2cccc(F)c2)cn1 ZINC000182684163 167757497 /nfs/dbraw/zinc/75/74/97/167757497.db2.gz WZJPGWMWCBNESL-LLVKDONJSA-N 0 0 247.317 3.776 20 0 BHADRN CC(C)n1cc([C@H](C)Nc2cccc(F)c2)cn1 ZINC000182684179 385694996 /nfs/dbraw/zinc/69/49/96/385694996.db2.gz WZJPGWMWCBNESL-NSHDSACASA-N 0 0 247.317 3.776 20 0 BHADRN COCCC[C@H](C)Nc1cccc(SC)c1 ZINC000182686964 174265062 /nfs/dbraw/zinc/26/50/62/174265062.db2.gz JRQIZEWKIKCPDZ-NSHDSACASA-N 0 0 239.384 3.636 20 0 BHADRN COCCC[C@@H](C)Nc1cccc(SC)c1 ZINC000182686983 174261475 /nfs/dbraw/zinc/26/14/75/174261475.db2.gz JRQIZEWKIKCPDZ-LLVKDONJSA-N 0 0 239.384 3.636 20 0 BHADRN COCCC[C@H](C)Nc1ccc(C)c(Cl)c1 ZINC000182693777 346808710 /nfs/dbraw/zinc/80/87/10/346808710.db2.gz SQTNBKYJDKDZEL-NSHDSACASA-N 0 0 241.762 3.875 20 0 BHADRN COCCC[C@@H](C)Nc1ccc(C)c(Cl)c1 ZINC000182693791 346808639 /nfs/dbraw/zinc/80/86/39/346808639.db2.gz SQTNBKYJDKDZEL-LLVKDONJSA-N 0 0 241.762 3.875 20 0 BHADRN CCCCCCSc1nnc(C)c(C)c1C#N ZINC000182705840 633956189 /nfs/dbraw/zinc/95/61/89/633956189.db2.gz DPCCDNMKTOFLHY-UHFFFAOYSA-N 0 0 249.383 3.638 20 0 BHADRN Cc1ncc(-c2ccc(N[C@@H](C)C3CC3)cc2)o1 ZINC000182719265 180122215 /nfs/dbraw/zinc/12/22/15/180122215.db2.gz PZZFOYCFKPPHCL-JTQLQIEISA-N 0 0 242.322 3.860 20 0 BHADRN Cc1ncc(-c2ccc(N[C@H](C)C3CC3)cc2)o1 ZINC000182719282 180121701 /nfs/dbraw/zinc/12/17/01/180121701.db2.gz PZZFOYCFKPPHCL-SNVBAGLBSA-N 0 0 242.322 3.860 20 0 BHADRN CCc1ccc(NC(=O)N(CC)CC)cc1CC ZINC000182728594 366935296 /nfs/dbraw/zinc/93/52/96/366935296.db2.gz UNPAOILWBDWDHE-UHFFFAOYSA-N 0 0 248.370 3.685 20 0 BHADRN CCc1ccc(NC(=O)N(C)C(C)C)cc1CC ZINC000182729992 366936639 /nfs/dbraw/zinc/93/66/39/366936639.db2.gz QONRUBMCAONOTO-UHFFFAOYSA-N 0 0 248.370 3.684 20 0 BHADRN CCCC(CCC)SCN1CCCCC1=O ZINC000182745226 633956298 /nfs/dbraw/zinc/95/62/98/633956298.db2.gz SXEKJLXYVXYANK-UHFFFAOYSA-N 0 0 243.416 3.658 20 0 BHADRN COc1ccc(N[C@@H](C)C(C)(C)C)cc1OC ZINC000182748451 711896559 /nfs/dbraw/zinc/89/65/59/711896559.db2.gz OPPQGSJMRUTQMR-JTQLQIEISA-N 0 0 237.343 3.550 20 0 BHADRN COc1ccc(N[C@H](C)C(C)(C)C)cc1OC ZINC000182748475 711896688 /nfs/dbraw/zinc/89/66/88/711896688.db2.gz OPPQGSJMRUTQMR-SNVBAGLBSA-N 0 0 237.343 3.550 20 0 BHADRN CCCN(C)C(=O)Nc1ccc(CC)c(CC)c1 ZINC000182753853 366937867 /nfs/dbraw/zinc/93/78/67/366937867.db2.gz KJWNLHPBFCPDSK-UHFFFAOYSA-N 0 0 248.370 3.685 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)c2cncc(F)c2)c1 ZINC000182754729 385474761 /nfs/dbraw/zinc/47/47/61/385474761.db2.gz MCIBDXKFGIFOFI-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)c2cncc(F)c2)c1 ZINC000182754749 385475684 /nfs/dbraw/zinc/47/56/84/385475684.db2.gz MCIBDXKFGIFOFI-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN COCCC[C@H](C)Nc1cc(F)cc(Cl)c1 ZINC000182757393 205677638 /nfs/dbraw/zinc/67/76/38/205677638.db2.gz JGXRNSYIFMIYTD-VIFPVBQESA-N 0 0 245.725 3.706 20 0 BHADRN COCCC[C@@H](C)Nc1cc(F)cc(Cl)c1 ZINC000182757411 385476095 /nfs/dbraw/zinc/47/60/95/385476095.db2.gz JGXRNSYIFMIYTD-SECBINFHSA-N 0 0 245.725 3.706 20 0 BHADRN CCc1ccc(N[C@@H](C)c2cncc(F)c2)cc1 ZINC000182759967 385701171 /nfs/dbraw/zinc/70/11/71/385701171.db2.gz LHIYVJZYVCMJRQ-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccc(N[C@H](C)c2cncc(F)c2)cc1 ZINC000182759988 171822319 /nfs/dbraw/zinc/82/23/19/171822319.db2.gz LHIYVJZYVCMJRQ-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cncc(F)c2)cc1F ZINC000182763552 219867664 /nfs/dbraw/zinc/86/76/64/219867664.db2.gz MWJZAIUSWSEYFG-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)c2cncc(F)c2)cc1F ZINC000182763571 385475769 /nfs/dbraw/zinc/47/57/69/385475769.db2.gz MWJZAIUSWSEYFG-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN COC[C@H](C)SCCSc1ccccc1 ZINC000182770243 633957165 /nfs/dbraw/zinc/95/71/65/633957165.db2.gz UYLNXEYZSUDCDD-NSHDSACASA-N 0 0 242.409 3.547 20 0 BHADRN COC[C@@H](C)SCCSc1ccccc1 ZINC000182770263 633957841 /nfs/dbraw/zinc/95/78/41/633957841.db2.gz UYLNXEYZSUDCDD-LLVKDONJSA-N 0 0 242.409 3.547 20 0 BHADRN CCc1cccc(N[C@@H](C)c2cncc(F)c2)c1 ZINC000182770611 219867732 /nfs/dbraw/zinc/86/77/32/219867732.db2.gz BNLHANRATNGDOX-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN CCc1cccc(N[C@H](C)c2cncc(F)c2)c1 ZINC000182770627 385474852 /nfs/dbraw/zinc/47/48/52/385474852.db2.gz BNLHANRATNGDOX-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN CCc1cccc(N[C@@H](CC)c2nccn2C)c1 ZINC000182770862 385702062 /nfs/dbraw/zinc/70/20/62/385702062.db2.gz LDCPBWNTUGSSBG-AWEZNQCLSA-N 0 0 243.354 3.546 20 0 BHADRN CCc1cccc(N[C@H](CC)c2nccn2C)c1 ZINC000182770882 385703499 /nfs/dbraw/zinc/70/34/99/385703499.db2.gz LDCPBWNTUGSSBG-CQSZACIVSA-N 0 0 243.354 3.546 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)c1cncc(F)c1 ZINC000182773990 385476033 /nfs/dbraw/zinc/47/60/33/385476033.db2.gz JRRHPBGCAZMBDJ-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)c1cncc(F)c1 ZINC000182774008 385474787 /nfs/dbraw/zinc/47/47/87/385474787.db2.gz JRRHPBGCAZMBDJ-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CC(Cl)(Cl)c1nc(C2CCCCC2)no1 ZINC000182785391 633957250 /nfs/dbraw/zinc/95/72/50/633957250.db2.gz RLWWHWKDPGDUPK-UHFFFAOYSA-N 0 0 249.141 3.768 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)cc(C)nc1C ZINC000182787800 134348269 /nfs/dbraw/zinc/34/82/69/134348269.db2.gz YYHKOANRNNVMEO-BXKDBHETSA-N 0 0 248.370 3.628 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)cc(C)nc1C ZINC000182787819 536183751 /nfs/dbraw/zinc/18/37/51/536183751.db2.gz YYHKOANRNNVMEO-JOYOIKCWSA-N 0 0 248.370 3.628 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)cc(C)nc1C ZINC000182787838 134348207 /nfs/dbraw/zinc/34/82/07/134348207.db2.gz YYHKOANRNNVMEO-SKDRFNHKSA-N 0 0 248.370 3.628 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1c(C)cc(C)nc1C ZINC000182787852 134348122 /nfs/dbraw/zinc/34/81/22/134348122.db2.gz YYHKOANRNNVMEO-CABZTGNLSA-N 0 0 248.370 3.628 20 0 BHADRN CC(C)CSCCCn1ccnc1C(C)C ZINC000182791502 134348176 /nfs/dbraw/zinc/34/81/76/134348176.db2.gz RHZTUPSALIAOQF-UHFFFAOYSA-N 0 0 240.416 3.786 20 0 BHADRN Cc1ccc(CCn2ccnc2C(C)C)cc1 ZINC000182792031 134348085 /nfs/dbraw/zinc/34/80/85/134348085.db2.gz RWHUNCKJIAKATH-UHFFFAOYSA-N 0 0 228.339 3.558 20 0 BHADRN CCCc1ccc(N[C@@H](C)CCCOC)cc1 ZINC000182801193 643067992 /nfs/dbraw/zinc/06/79/92/643067992.db2.gz AFSGSNXSJZCQLT-ZDUSSCGKSA-N 0 0 235.371 3.866 20 0 BHADRN CCCc1ccc(N[C@H](C)CCCOC)cc1 ZINC000182801214 643068154 /nfs/dbraw/zinc/06/81/54/643068154.db2.gz AFSGSNXSJZCQLT-CYBMUJFWSA-N 0 0 235.371 3.866 20 0 BHADRN Cc1nc2cc(N[C@@H](C)C3CCC3)ccc2o1 ZINC000182805264 346814178 /nfs/dbraw/zinc/81/41/78/346814178.db2.gz DXDOMDOKYSYDAY-VIFPVBQESA-N 0 0 230.311 3.737 20 0 BHADRN Cc1nc2cc(N[C@H](C)C3CCC3)ccc2o1 ZINC000182805280 346814241 /nfs/dbraw/zinc/81/42/41/346814241.db2.gz DXDOMDOKYSYDAY-SECBINFHSA-N 0 0 230.311 3.737 20 0 BHADRN CC(C)c1nccn1C[C@@H](C)c1ccccc1 ZINC000182805383 388568002 /nfs/dbraw/zinc/56/80/02/388568002.db2.gz JJBBMCXJARUVGJ-CYBMUJFWSA-N 0 0 228.339 3.810 20 0 BHADRN CC(C)c1nccn1C[C@H](C)c1ccccc1 ZINC000182805404 388568156 /nfs/dbraw/zinc/56/81/56/388568156.db2.gz JJBBMCXJARUVGJ-ZDUSSCGKSA-N 0 0 228.339 3.810 20 0 BHADRN COCCC[C@H](C)Nc1ccc(SC)cc1 ZINC000182814800 174264641 /nfs/dbraw/zinc/26/46/41/174264641.db2.gz XNGTYHFCOCDIGU-NSHDSACASA-N 0 0 239.384 3.636 20 0 BHADRN COCCC[C@@H](C)Nc1ccc(SC)cc1 ZINC000182814817 174261942 /nfs/dbraw/zinc/26/19/42/174261942.db2.gz XNGTYHFCOCDIGU-LLVKDONJSA-N 0 0 239.384 3.636 20 0 BHADRN CC(C)OCCSCc1c(F)cccc1F ZINC000182827816 134345231 /nfs/dbraw/zinc/34/52/31/134345231.db2.gz PLUOLKHWRXEWHJ-UHFFFAOYSA-N 0 0 246.322 3.623 20 0 BHADRN C[C@H](Nc1cccc(-c2cnco2)c1)C1CCC1 ZINC000182830829 134345458 /nfs/dbraw/zinc/34/54/58/134345458.db2.gz QBULWVNORQAQLI-NSHDSACASA-N 0 0 242.322 3.942 20 0 BHADRN C[C@@H](Nc1cccc(-c2cnco2)c1)C1CCC1 ZINC000182830846 134345300 /nfs/dbraw/zinc/34/53/00/134345300.db2.gz QBULWVNORQAQLI-LLVKDONJSA-N 0 0 242.322 3.942 20 0 BHADRN CC(C)c1nccn1CCCc1cccc(F)c1 ZINC000182832861 256839850 /nfs/dbraw/zinc/83/98/50/256839850.db2.gz WGTXMJVFFXVXGC-UHFFFAOYSA-N 0 0 246.329 3.778 20 0 BHADRN COc1ccccc1CCCSCCCF ZINC000182840344 388567911 /nfs/dbraw/zinc/56/79/11/388567911.db2.gz LXTCJQGBAOSRJF-UHFFFAOYSA-N 0 0 242.359 3.721 20 0 BHADRN C[C@H](Nc1cc(F)ccc1OC(F)F)C1CC1 ZINC000182886614 366954529 /nfs/dbraw/zinc/95/45/29/366954529.db2.gz YYMCSWLBBHTHIG-ZETCQYMHSA-N 0 0 245.244 3.638 20 0 BHADRN C[C@@H](Nc1cc(F)ccc1OC(F)F)C1CC1 ZINC000182886639 347110508 /nfs/dbraw/zinc/11/05/08/347110508.db2.gz YYMCSWLBBHTHIG-SSDOTTSWSA-N 0 0 245.244 3.638 20 0 BHADRN C[C@H](Nc1ccc2nc(C3CC3)oc2c1)C1CC1 ZINC000182892352 398248189 /nfs/dbraw/zinc/24/81/89/398248189.db2.gz KSOABIXBEHGGKF-VIFPVBQESA-N 0 0 242.322 3.916 20 0 BHADRN C[C@@H](Nc1ccc2nc(C3CC3)oc2c1)C1CC1 ZINC000182892373 398248321 /nfs/dbraw/zinc/24/83/21/398248321.db2.gz KSOABIXBEHGGKF-SECBINFHSA-N 0 0 242.322 3.916 20 0 BHADRN CCOCCSCCSc1ccccc1 ZINC000182892839 633960821 /nfs/dbraw/zinc/96/08/21/633960821.db2.gz JVPRRICGHGMORM-UHFFFAOYSA-N 0 0 242.409 3.548 20 0 BHADRN CC[C@@H](C)Nc1ccc2nc(C3CC3)oc2c1 ZINC000182893848 398248350 /nfs/dbraw/zinc/24/83/50/398248350.db2.gz OZTQAPNABFNDGL-SECBINFHSA-N 0 0 230.311 3.916 20 0 BHADRN CC[C@H](C)Nc1ccc2nc(C3CC3)oc2c1 ZINC000182893871 398248213 /nfs/dbraw/zinc/24/82/13/398248213.db2.gz OZTQAPNABFNDGL-VIFPVBQESA-N 0 0 230.311 3.916 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000182894249 388568827 /nfs/dbraw/zinc/56/88/27/388568827.db2.gz LNWYCKGYNVBZBW-CHWSQXEVSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000182894265 256839754 /nfs/dbraw/zinc/83/97/54/256839754.db2.gz LNWYCKGYNVBZBW-QWHCGFSZSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000182894284 256839155 /nfs/dbraw/zinc/83/91/55/256839155.db2.gz LNWYCKGYNVBZBW-OLZOCXBDSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000182894304 388569034 /nfs/dbraw/zinc/56/90/34/388569034.db2.gz LNWYCKGYNVBZBW-STQMWFEESA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000182905233 366956565 /nfs/dbraw/zinc/95/65/65/366956565.db2.gz VGIUHZGXPFGLRJ-VXGBXAGGSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000182905253 366955576 /nfs/dbraw/zinc/95/55/76/366955576.db2.gz VGIUHZGXPFGLRJ-NWDGAFQWSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000182905270 366956587 /nfs/dbraw/zinc/95/65/87/366956587.db2.gz VGIUHZGXPFGLRJ-NEPJUHHUSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000182905284 366955859 /nfs/dbraw/zinc/95/58/59/366955859.db2.gz VGIUHZGXPFGLRJ-RYUDHWBXSA-N 0 0 237.387 3.602 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cccc(F)c2F)cn1 ZINC000182907680 385488774 /nfs/dbraw/zinc/48/87/74/385488774.db2.gz HMMLSXPSAFVUKV-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)c2cccc(F)c2F)cn1 ZINC000182907705 385488871 /nfs/dbraw/zinc/48/88/71/385488871.db2.gz HMMLSXPSAFVUKV-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CCc1ccc([C@@H](C)Nc2ccc(C)nc2)o1 ZINC000182908045 366955786 /nfs/dbraw/zinc/95/57/86/366955786.db2.gz BPPWDFLTNVBWTG-LLVKDONJSA-N 0 0 230.311 3.719 20 0 BHADRN CCc1ccc([C@H](C)Nc2ccc(C)nc2)o1 ZINC000182908063 366955797 /nfs/dbraw/zinc/95/57/97/366955797.db2.gz BPPWDFLTNVBWTG-NSHDSACASA-N 0 0 230.311 3.719 20 0 BHADRN Cc1ccc(N[C@@H]2CCc3ccc(F)cc32)cn1 ZINC000182908814 366955882 /nfs/dbraw/zinc/95/58/82/366955882.db2.gz FECVKZONSFKNEL-OAHLLOKOSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccc(N[C@H]2CCc3ccc(F)cc32)cn1 ZINC000182908832 366955565 /nfs/dbraw/zinc/95/55/65/366955565.db2.gz FECVKZONSFKNEL-HNNXBMFYSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cccnc2Cl)cn1 ZINC000182909745 643071038 /nfs/dbraw/zinc/07/10/38/643071038.db2.gz RWDLYRIMKNHLPS-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(N[C@H](C)c2cccnc2Cl)cn1 ZINC000182909763 643070883 /nfs/dbraw/zinc/07/08/83/643070883.db2.gz RWDLYRIMKNHLPS-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccc(Cl)nc2)cn1 ZINC000182910284 643071004 /nfs/dbraw/zinc/07/10/04/643071004.db2.gz RZEPAYBEFLMLAQ-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccc(Cl)nc2)cn1 ZINC000182910299 643070304 /nfs/dbraw/zinc/07/03/04/643070304.db2.gz RZEPAYBEFLMLAQ-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(N[C@@H]2c3ccccc3C[C@@H]2C)cn1 ZINC000182911926 366955502 /nfs/dbraw/zinc/95/55/02/366955502.db2.gz GNTXXMFVVVUXLL-ZBEGNZNMSA-N 0 0 238.334 3.735 20 0 BHADRN Cc1ccc(N[C@H]2c3ccccc3C[C@@H]2C)cn1 ZINC000182911948 366956294 /nfs/dbraw/zinc/95/62/94/366956294.db2.gz GNTXXMFVVVUXLL-MEDUHNTESA-N 0 0 238.334 3.735 20 0 BHADRN Cc1ccc(N[C@@H]2c3ccccc3C[C@H]2C)cn1 ZINC000182911970 366956029 /nfs/dbraw/zinc/95/60/29/366956029.db2.gz GNTXXMFVVVUXLL-BZNIZROVSA-N 0 0 238.334 3.735 20 0 BHADRN Cc1ccc(N[C@H]2c3ccccc3C[C@H]2C)cn1 ZINC000182911989 366956283 /nfs/dbraw/zinc/95/62/83/366956283.db2.gz GNTXXMFVVVUXLL-BDJLRTHQSA-N 0 0 238.334 3.735 20 0 BHADRN COCCC[C@H](C)Nc1ccc(Cl)cc1 ZINC000182913501 174264764 /nfs/dbraw/zinc/26/47/64/174264764.db2.gz XONLKDLWCLPMGE-JTQLQIEISA-N 0 0 227.735 3.567 20 0 BHADRN COCCC[C@@H](C)Nc1ccc(Cl)cc1 ZINC000182913519 174261291 /nfs/dbraw/zinc/26/12/91/174261291.db2.gz XONLKDLWCLPMGE-SNVBAGLBSA-N 0 0 227.735 3.567 20 0 BHADRN CC[C@H](Nc1ccc(Cl)cc1)c1nccn1C ZINC000182913546 385720840 /nfs/dbraw/zinc/72/08/40/385720840.db2.gz DPLYFDSRIWUVCI-LBPRGKRZSA-N 0 0 249.745 3.637 20 0 BHADRN CC[C@@H](Nc1ccc(Cl)cc1)c1nccn1C ZINC000182913568 347111240 /nfs/dbraw/zinc/11/12/40/347111240.db2.gz DPLYFDSRIWUVCI-GFCCVEGCSA-N 0 0 249.745 3.637 20 0 BHADRN Cc1nc2ccc(N[C@@H](C)C3CCC3)cc2o1 ZINC000182927722 366957936 /nfs/dbraw/zinc/95/79/36/366957936.db2.gz RMXNVYYDKJHBSF-VIFPVBQESA-N 0 0 230.311 3.737 20 0 BHADRN Cc1nc2ccc(N[C@H](C)C3CCC3)cc2o1 ZINC000182927744 366957853 /nfs/dbraw/zinc/95/78/53/366957853.db2.gz RMXNVYYDKJHBSF-SECBINFHSA-N 0 0 230.311 3.737 20 0 BHADRN Cc1cc(C)n(CCCc2ccccc2Cl)n1 ZINC000182930259 366957013 /nfs/dbraw/zinc/95/70/13/366957013.db2.gz GSWDOYRRPUTXJB-UHFFFAOYSA-N 0 0 248.757 3.786 20 0 BHADRN CN(Cc1cccc2cnccc21)c1ccccc1 ZINC000182931717 538965338 /nfs/dbraw/zinc/96/53/38/538965338.db2.gz YWNGBBVZGVDILX-UHFFFAOYSA-N 0 0 248.329 3.871 20 0 BHADRN CC(C)c1cnc(CN(C)c2ccccc2)s1 ZINC000182934978 366959223 /nfs/dbraw/zinc/95/92/23/366959223.db2.gz FSZUHIDSIHRYEC-UHFFFAOYSA-N 0 0 246.379 3.903 20 0 BHADRN CCOCc1cccc(N[C@@H](C)C2CCC2)c1 ZINC000182944103 366960736 /nfs/dbraw/zinc/96/07/36/366960736.db2.gz YYDNEFSMWHSQQH-LBPRGKRZSA-N 0 0 233.355 3.824 20 0 BHADRN CCOCc1cccc(N[C@H](C)C2CCC2)c1 ZINC000182944122 366960363 /nfs/dbraw/zinc/96/03/63/366960363.db2.gz YYDNEFSMWHSQQH-GFCCVEGCSA-N 0 0 233.355 3.824 20 0 BHADRN C[C@H](CSC(C)(C)C)Nc1cccc(C#N)c1 ZINC000182944722 633963093 /nfs/dbraw/zinc/96/30/93/633963093.db2.gz DMYFUUIVJQZLOC-LLVKDONJSA-N 0 0 248.395 3.890 20 0 BHADRN CCOCc1cccc(N[C@@H](C)c2ccoc2)c1 ZINC000182945662 347112793 /nfs/dbraw/zinc/11/27/93/347112793.db2.gz STFPNLKBWWWOFF-LBPRGKRZSA-N 0 0 245.322 3.989 20 0 BHADRN CCOCc1cccc(N[C@H](C)c2ccoc2)c1 ZINC000182945683 366960267 /nfs/dbraw/zinc/96/02/67/366960267.db2.gz STFPNLKBWWWOFF-GFCCVEGCSA-N 0 0 245.322 3.989 20 0 BHADRN CCOCc1cccc(NC(C2CC2)C2CC2)c1 ZINC000182951361 366960773 /nfs/dbraw/zinc/96/07/73/366960773.db2.gz MBRBTXSHEXFQBT-UHFFFAOYSA-N 0 0 245.366 3.824 20 0 BHADRN CCc1nccn1CCCc1ccccc1Cl ZINC000182953529 366961113 /nfs/dbraw/zinc/96/11/13/366961113.db2.gz HXJJVOLBULWXIR-UHFFFAOYSA-N 0 0 248.757 3.732 20 0 BHADRN CCn1ncc2ccc(N[C@@H](C)C3CCC3)cc21 ZINC000182958570 366961800 /nfs/dbraw/zinc/96/18/00/366961800.db2.gz RTJGTAKKDPDLOO-NSHDSACASA-N 0 0 243.354 3.657 20 0 BHADRN CCn1ncc2ccc(N[C@H](C)C3CCC3)cc21 ZINC000182958587 366961651 /nfs/dbraw/zinc/96/16/51/366961651.db2.gz RTJGTAKKDPDLOO-LLVKDONJSA-N 0 0 243.354 3.657 20 0 BHADRN CCn1ncc2ccc(N[C@@H](C)C(C)C)cc21 ZINC000182959489 366962129 /nfs/dbraw/zinc/96/21/29/366962129.db2.gz KEFDORKBHNNGLD-NSHDSACASA-N 0 0 231.343 3.513 20 0 BHADRN CCn1ncc2ccc(N[C@H](C)C(C)C)cc21 ZINC000182959507 366961863 /nfs/dbraw/zinc/96/18/63/366961863.db2.gz KEFDORKBHNNGLD-LLVKDONJSA-N 0 0 231.343 3.513 20 0 BHADRN CC(=O)Nc1cc(N[C@@H](C)C(C)(C)C)ccc1C ZINC000182966064 187310321 /nfs/dbraw/zinc/31/03/21/187310321.db2.gz HIROENCPVYSMBK-NSHDSACASA-N 0 0 248.370 3.800 20 0 BHADRN CC(=O)Nc1cc(N[C@H](C)C(C)(C)C)ccc1C ZINC000182966082 187483584 /nfs/dbraw/zinc/48/35/84/187483584.db2.gz HIROENCPVYSMBK-LLVKDONJSA-N 0 0 248.370 3.800 20 0 BHADRN COCCCCOc1ccccc1C(F)(F)F ZINC000182971970 388568849 /nfs/dbraw/zinc/56/88/49/388568849.db2.gz UCAJOMWTULLQSQ-UHFFFAOYSA-N 0 0 248.244 3.511 20 0 BHADRN CC(C)CC[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000182986951 538965461 /nfs/dbraw/zinc/96/54/61/538965461.db2.gz MKLGBPAZTXMTSJ-UHFFFAOYSA-N 0 0 240.416 3.744 20 0 BHADRN CCCN(Cc1ncc(C(C)C)s1)C1CC1 ZINC000182988099 347114186 /nfs/dbraw/zinc/11/41/86/347114186.db2.gz HLQZMGKFXUFXBL-UHFFFAOYSA-N 0 0 238.400 3.641 20 0 BHADRN C[C@H](Nc1ccc(-c2cnco2)cc1)C1CCC1 ZINC000183000013 176932422 /nfs/dbraw/zinc/93/24/22/176932422.db2.gz ZMHMEVULELTEPH-NSHDSACASA-N 0 0 242.322 3.942 20 0 BHADRN C[C@@H](Nc1ccc(-c2cnco2)cc1)C1CCC1 ZINC000183000036 385499851 /nfs/dbraw/zinc/49/98/51/385499851.db2.gz ZMHMEVULELTEPH-LLVKDONJSA-N 0 0 242.322 3.942 20 0 BHADRN CC[C@@H](C)C[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000183002004 366964921 /nfs/dbraw/zinc/96/49/21/366964921.db2.gz RXJBDCXWSADPNO-LLVKDONJSA-N 0 0 240.416 3.744 20 0 BHADRN CC[C@H](C)C[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000183002021 366964679 /nfs/dbraw/zinc/96/46/79/366964679.db2.gz RXJBDCXWSADPNO-NSHDSACASA-N 0 0 240.416 3.744 20 0 BHADRN CC(C)n1ncc2ccc(N[C@@H](C)C3CC3)cc21 ZINC000183004692 388568851 /nfs/dbraw/zinc/56/88/51/388568851.db2.gz ADNMBWWHLSIOMN-NSHDSACASA-N 0 0 243.354 3.828 20 0 BHADRN CC(C)n1ncc2ccc(N[C@H](C)C3CC3)cc21 ZINC000183004707 388568720 /nfs/dbraw/zinc/56/87/20/388568720.db2.gz ADNMBWWHLSIOMN-LLVKDONJSA-N 0 0 243.354 3.828 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@@H](C)[C@@H](C)CC ZINC000183023151 366966317 /nfs/dbraw/zinc/96/63/17/366966317.db2.gz FHFRPPZEBXSZPR-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@H](C)[C@@H](C)CC ZINC000183023188 366966551 /nfs/dbraw/zinc/96/65/51/366966551.db2.gz FHFRPPZEBXSZPR-BFHYXJOUSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)CCC1CCC1 ZINC000183024171 366966689 /nfs/dbraw/zinc/96/66/89/366966689.db2.gz CUGMDLVFSWPCIM-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC000183024189 366966020 /nfs/dbraw/zinc/96/60/20/366966020.db2.gz CUGMDLVFSWPCIM-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC000183029658 366966750 /nfs/dbraw/zinc/96/67/50/366966750.db2.gz JZJBOAFPHYWTRB-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC000183029678 366966913 /nfs/dbraw/zinc/96/69/13/366966913.db2.gz JZJBOAFPHYWTRB-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC000183029833 366966828 /nfs/dbraw/zinc/96/68/28/366966828.db2.gz GKNCFFWTJIWTGJ-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC000183029851 366967970 /nfs/dbraw/zinc/96/79/70/366967970.db2.gz GKNCFFWTJIWTGJ-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@]1(C)CC ZINC000183031667 366967779 /nfs/dbraw/zinc/96/77/79/366967779.db2.gz HUECKWGJCJIACA-VNHYZAJKSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@]1(C)CC ZINC000183031704 366968582 /nfs/dbraw/zinc/96/85/82/366968582.db2.gz HUECKWGJCJIACA-UMVBOHGHSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(CC(C)C)C(C)C ZINC000183033221 259444653 /nfs/dbraw/zinc/44/46/53/259444653.db2.gz XDUHYXUQCAMPQH-CHWSQXEVSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(CC(C)C)C(C)C ZINC000183033238 386632988 /nfs/dbraw/zinc/63/29/88/386632988.db2.gz XDUHYXUQCAMPQH-QWHCGFSZSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(CC(C)C)C(C)C ZINC000183033257 584911616 /nfs/dbraw/zinc/91/16/16/584911616.db2.gz XDUHYXUQCAMPQH-OLZOCXBDSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(CC(C)C)C(C)C ZINC000183033275 398088505 /nfs/dbraw/zinc/08/85/05/398088505.db2.gz XDUHYXUQCAMPQH-STQMWFEESA-N 0 0 227.392 3.562 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)c1cc(C)oc1C ZINC000183036257 366967924 /nfs/dbraw/zinc/96/79/24/366967924.db2.gz LJKRYNIPXPRWMN-CYBMUJFWSA-N 0 0 249.354 3.691 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)c1cc(C)oc1C ZINC000183036279 366968236 /nfs/dbraw/zinc/96/82/36/366968236.db2.gz LJKRYNIPXPRWMN-ZDUSSCGKSA-N 0 0 249.354 3.691 20 0 BHADRN CCC[C@H](C)C(=O)N1CCCC[C@H]1CCC ZINC000183036305 366968054 /nfs/dbraw/zinc/96/80/54/366968054.db2.gz WWIZBGYHANDZKE-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@H](C)C(=O)N1CCCC[C@@H]1CCC ZINC000183036326 366967769 /nfs/dbraw/zinc/96/77/69/366967769.db2.gz WWIZBGYHANDZKE-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCCC[C@H]1CCC ZINC000183036343 366967858 /nfs/dbraw/zinc/96/78/58/366967858.db2.gz WWIZBGYHANDZKE-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCCC[C@@H]1CCC ZINC000183036363 366968603 /nfs/dbraw/zinc/96/86/03/366968603.db2.gz WWIZBGYHANDZKE-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC(=O)N1CCCC[C@@H]1CCC ZINC000183037000 366967837 /nfs/dbraw/zinc/96/78/37/366967837.db2.gz IKCJNKANPIEEJV-ZDUSSCGKSA-N 0 0 225.376 3.748 20 0 BHADRN CCCCCC(=O)N1CCCC[C@H]1CCC ZINC000183037016 366967851 /nfs/dbraw/zinc/96/78/51/366967851.db2.gz IKCJNKANPIEEJV-CYBMUJFWSA-N 0 0 225.376 3.748 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)c1ccccc1C ZINC000183037082 366968251 /nfs/dbraw/zinc/96/82/51/366968251.db2.gz OGUYNGIBEDDLEU-CQSZACIVSA-N 0 0 245.366 3.790 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)c1ccccc1C ZINC000183037100 366967944 /nfs/dbraw/zinc/96/79/44/366967944.db2.gz OGUYNGIBEDDLEU-AWEZNQCLSA-N 0 0 245.366 3.790 20 0 BHADRN Cc1cccc(O)c1NC(=O)C1CCCCCC1 ZINC000183040317 179160154 /nfs/dbraw/zinc/16/01/54/179160154.db2.gz IQRPEXJIUULJMB-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CC[C@@H](CC(=O)Nc1c(C)cccc1O)C(C)C ZINC000183040769 385731865 /nfs/dbraw/zinc/73/18/65/385731865.db2.gz VEMWCDFVHIRFTA-LBPRGKRZSA-N 0 0 249.354 3.711 20 0 BHADRN CC[C@H](CC(=O)Nc1c(C)cccc1O)C(C)C ZINC000183040787 385732488 /nfs/dbraw/zinc/73/24/88/385732488.db2.gz VEMWCDFVHIRFTA-GFCCVEGCSA-N 0 0 249.354 3.711 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)c1oc(C)cc1C ZINC000183044351 366969889 /nfs/dbraw/zinc/96/98/89/366969889.db2.gz PIEQLUOGLZMQMS-CYBMUJFWSA-N 0 0 249.354 3.691 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)c1oc(C)cc1C ZINC000183044366 366969624 /nfs/dbraw/zinc/96/96/24/366969624.db2.gz PIEQLUOGLZMQMS-ZDUSSCGKSA-N 0 0 249.354 3.691 20 0 BHADRN CCCc1ccc(NCc2cc(C)on2)cc1 ZINC000183045786 643083468 /nfs/dbraw/zinc/08/34/68/643083468.db2.gz NLFLAIAMTGKCNS-UHFFFAOYSA-N 0 0 230.311 3.548 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)c1cccc(F)c1 ZINC000183049762 366969688 /nfs/dbraw/zinc/96/96/88/366969688.db2.gz GVTZGBFCWOLZBJ-CQSZACIVSA-N 0 0 249.329 3.621 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)c1cccc(F)c1 ZINC000183049786 366969608 /nfs/dbraw/zinc/96/96/08/366969608.db2.gz GVTZGBFCWOLZBJ-AWEZNQCLSA-N 0 0 249.329 3.621 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC000183049905 366969391 /nfs/dbraw/zinc/96/93/91/366969391.db2.gz TWQRYGLDDSNXHB-OAHLLOKOSA-N 0 0 245.366 3.790 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC000183049929 366969474 /nfs/dbraw/zinc/96/94/74/366969474.db2.gz TWQRYGLDDSNXHB-HNNXBMFYSA-N 0 0 245.366 3.790 20 0 BHADRN CC(C)CCn1ccc(N[C@@H](C)c2ccco2)n1 ZINC000183050102 366969428 /nfs/dbraw/zinc/96/94/28/366969428.db2.gz YQKSEOOYSCDXCD-LBPRGKRZSA-N 0 0 247.342 3.695 20 0 BHADRN CC(C)CCn1ccc(N[C@H](C)c2ccco2)n1 ZINC000183050124 366969416 /nfs/dbraw/zinc/96/94/16/366969416.db2.gz YQKSEOOYSCDXCD-GFCCVEGCSA-N 0 0 247.342 3.695 20 0 BHADRN CCC[C@H](C(=O)Nc1c(C)cccc1O)C(C)C ZINC000183050606 385732557 /nfs/dbraw/zinc/73/25/57/385732557.db2.gz JECUECABAGUWIR-LBPRGKRZSA-N 0 0 249.354 3.711 20 0 BHADRN CCC[C@@H](C(=O)Nc1c(C)cccc1O)C(C)C ZINC000183050620 169346415 /nfs/dbraw/zinc/34/64/15/169346415.db2.gz JECUECABAGUWIR-GFCCVEGCSA-N 0 0 249.354 3.711 20 0 BHADRN CC(C)CCn1ccc(N[C@@H](C)c2ccoc2)n1 ZINC000183051706 347117666 /nfs/dbraw/zinc/11/76/66/347117666.db2.gz DLGVFTBRYVSZCG-LBPRGKRZSA-N 0 0 247.342 3.695 20 0 BHADRN CC(C)CCn1ccc(N[C@H](C)c2ccoc2)n1 ZINC000183051726 366971337 /nfs/dbraw/zinc/97/13/37/366971337.db2.gz DLGVFTBRYVSZCG-GFCCVEGCSA-N 0 0 247.342 3.695 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000183054325 398088694 /nfs/dbraw/zinc/08/86/94/398088694.db2.gz XZFOMGNSNQLEJC-XQQFMLRXSA-N 0 0 239.403 3.704 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000183054359 398088343 /nfs/dbraw/zinc/08/83/43/398088343.db2.gz XZFOMGNSNQLEJC-AVGNSLFASA-N 0 0 239.403 3.704 20 0 BHADRN CC(C)CCn1ccc(NC(C2CC2)C2CC2)n1 ZINC000183055225 366970829 /nfs/dbraw/zinc/97/08/29/366970829.db2.gz XCNNDXOOPIPWQJ-UHFFFAOYSA-N 0 0 247.386 3.530 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)CCC(C)C ZINC000183056767 366970980 /nfs/dbraw/zinc/97/09/80/366970980.db2.gz DTKRNWHUEAXARR-CYBMUJFWSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)CCC(C)C ZINC000183056786 366970710 /nfs/dbraw/zinc/97/07/10/366970710.db2.gz DTKRNWHUEAXARR-ZDUSSCGKSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000183058166 366971433 /nfs/dbraw/zinc/97/14/33/366971433.db2.gz SKRPGUYJTZMUSF-UONOGXRCSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000183058185 366972486 /nfs/dbraw/zinc/97/24/86/366972486.db2.gz SKRPGUYJTZMUSF-KBPBESRZSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000183058203 347118030 /nfs/dbraw/zinc/11/80/30/347118030.db2.gz SKRPGUYJTZMUSF-ZIAGYGMSSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000183058223 366973116 /nfs/dbraw/zinc/97/31/16/366973116.db2.gz SKRPGUYJTZMUSF-KGLIPLIRSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1ccc(CCO)cc1 ZINC000183063245 366972307 /nfs/dbraw/zinc/97/23/07/366972307.db2.gz GIHDTFLEUZGZCJ-AWEZNQCLSA-N 0 0 247.382 3.768 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1ccc(CCO)cc1 ZINC000183063259 366973061 /nfs/dbraw/zinc/97/30/61/366973061.db2.gz GIHDTFLEUZGZCJ-CQSZACIVSA-N 0 0 247.382 3.768 20 0 BHADRN Cc1cccc(O)c1NC(=O)C[C@@H](C)CC(C)C ZINC000183063587 398088536 /nfs/dbraw/zinc/08/85/36/398088536.db2.gz ZZLIOQPWMJQVIY-NSHDSACASA-N 0 0 249.354 3.711 20 0 BHADRN Cc1cccc(O)c1NC(=O)C[C@H](C)CC(C)C ZINC000183063608 256617088 /nfs/dbraw/zinc/61/70/88/256617088.db2.gz ZZLIOQPWMJQVIY-LLVKDONJSA-N 0 0 249.354 3.711 20 0 BHADRN CC/C=C(\C)C(=O)N1CCCC[C@H]1CCC ZINC000183064689 643087633 /nfs/dbraw/zinc/08/76/33/643087633.db2.gz CEOCLGFOJMBEGA-YQCJOKCJSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C=C(\C)C(=O)N1CCCC[C@@H]1CCC ZINC000183064706 633967069 /nfs/dbraw/zinc/96/70/69/633967069.db2.gz CEOCLGFOJMBEGA-RPHSKFLZSA-N 0 0 223.360 3.524 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC000183065134 366972333 /nfs/dbraw/zinc/97/23/33/366972333.db2.gz QBFSNUIVWMDMCX-OAHLLOKOSA-N 0 0 245.366 3.790 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC000183065154 366972344 /nfs/dbraw/zinc/97/23/44/366972344.db2.gz QBFSNUIVWMDMCX-HNNXBMFYSA-N 0 0 245.366 3.790 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC000183065181 366972790 /nfs/dbraw/zinc/97/27/90/366972790.db2.gz AAQWWBVZWSSAML-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC000183065202 366972086 /nfs/dbraw/zinc/97/20/86/366972086.db2.gz AAQWWBVZWSSAML-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000183070053 385735407 /nfs/dbraw/zinc/73/54/07/385735407.db2.gz ZSXYYZSTLYYUDR-GHMZBOCLSA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000183070073 171361102 /nfs/dbraw/zinc/36/11/02/171361102.db2.gz ZSXYYZSTLYYUDR-WDEREUQCSA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000183070088 385735023 /nfs/dbraw/zinc/73/50/23/385735023.db2.gz ZSXYYZSTLYYUDR-MNOVXSKESA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000183070104 171385384 /nfs/dbraw/zinc/38/53/84/171385384.db2.gz ZSXYYZSTLYYUDR-QWRGUYRKSA-N 0 0 244.338 3.789 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCCO2)c1ccoc1 ZINC000183070738 643087112 /nfs/dbraw/zinc/08/71/12/643087112.db2.gz GIECGBGYJGSWLU-NSHDSACASA-N 0 0 243.306 3.778 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCCO2)c1ccoc1 ZINC000183070758 643087291 /nfs/dbraw/zinc/08/72/91/643087291.db2.gz GIECGBGYJGSWLU-LLVKDONJSA-N 0 0 243.306 3.778 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC000183072045 366974165 /nfs/dbraw/zinc/97/41/65/366974165.db2.gz XTUWJWCWIGZCLB-UONOGXRCSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC000183072062 366974329 /nfs/dbraw/zinc/97/43/29/366974329.db2.gz XTUWJWCWIGZCLB-KBPBESRZSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000183072080 347118244 /nfs/dbraw/zinc/11/82/44/347118244.db2.gz XTUWJWCWIGZCLB-ZIAGYGMSSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000183072099 366973664 /nfs/dbraw/zinc/97/36/64/366973664.db2.gz XTUWJWCWIGZCLB-KGLIPLIRSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)c1ccsc1 ZINC000183079677 169415718 /nfs/dbraw/zinc/41/57/18/169415718.db2.gz ONBJKGCRUMJKHG-GFCCVEGCSA-N 0 0 237.368 3.543 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)c1ccsc1 ZINC000183079701 169524841 /nfs/dbraw/zinc/52/48/41/169524841.db2.gz ONBJKGCRUMJKHG-LBPRGKRZSA-N 0 0 237.368 3.543 20 0 BHADRN CO[C@@H](C)c1cccc(N[C@@H](C)C2CCC2)c1 ZINC000183095280 366976943 /nfs/dbraw/zinc/97/69/43/366976943.db2.gz OADALARYDIRSJR-RYUDHWBXSA-N 0 0 233.355 3.995 20 0 BHADRN CO[C@H](C)c1cccc(N[C@@H](C)C2CCC2)c1 ZINC000183095301 366976735 /nfs/dbraw/zinc/97/67/35/366976735.db2.gz OADALARYDIRSJR-NWDGAFQWSA-N 0 0 233.355 3.995 20 0 BHADRN CO[C@@H](C)c1cccc(N[C@H](C)C2CCC2)c1 ZINC000183095318 366976988 /nfs/dbraw/zinc/97/69/88/366976988.db2.gz OADALARYDIRSJR-NEPJUHHUSA-N 0 0 233.355 3.995 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H](C)C2CCC2)c1 ZINC000183095337 366977213 /nfs/dbraw/zinc/97/72/13/366977213.db2.gz OADALARYDIRSJR-VXGBXAGGSA-N 0 0 233.355 3.995 20 0 BHADRN CO[C@@H](C)c1cccc(NC(C2CC2)C2CC2)c1 ZINC000183099397 366976980 /nfs/dbraw/zinc/97/69/80/366976980.db2.gz YRBHTWCTBBDZGY-NSHDSACASA-N 0 0 245.366 3.995 20 0 BHADRN CO[C@H](C)c1cccc(NC(C2CC2)C2CC2)c1 ZINC000183099421 366977071 /nfs/dbraw/zinc/97/70/71/366977071.db2.gz YRBHTWCTBBDZGY-LLVKDONJSA-N 0 0 245.366 3.995 20 0 BHADRN CO[C@@H](C)c1cccc(N[C@@H](C)C2(C)CC2)c1 ZINC000183106771 366976727 /nfs/dbraw/zinc/97/67/27/366976727.db2.gz YOJSFNFJNCZLJL-RYUDHWBXSA-N 0 0 233.355 3.995 20 0 BHADRN CO[C@H](C)c1cccc(N[C@@H](C)C2(C)CC2)c1 ZINC000183106793 347118935 /nfs/dbraw/zinc/11/89/35/347118935.db2.gz YOJSFNFJNCZLJL-NEPJUHHUSA-N 0 0 233.355 3.995 20 0 BHADRN CO[C@@H](C)c1cccc(N[C@H](C)C2(C)CC2)c1 ZINC000183106815 366976640 /nfs/dbraw/zinc/97/66/40/366976640.db2.gz YOJSFNFJNCZLJL-NWDGAFQWSA-N 0 0 233.355 3.995 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H](C)C2(C)CC2)c1 ZINC000183106831 366977261 /nfs/dbraw/zinc/97/72/61/366977261.db2.gz YOJSFNFJNCZLJL-VXGBXAGGSA-N 0 0 233.355 3.995 20 0 BHADRN CCc1ccc(N[C@@H](C)CCCOC)cc1F ZINC000183113450 366976932 /nfs/dbraw/zinc/97/69/32/366976932.db2.gz BFTGIVYNPZNPNM-NSHDSACASA-N 0 0 239.334 3.615 20 0 BHADRN CCc1ccc(N[C@H](C)CCCOC)cc1F ZINC000183113468 366977015 /nfs/dbraw/zinc/97/70/15/366977015.db2.gz BFTGIVYNPZNPNM-LLVKDONJSA-N 0 0 239.334 3.615 20 0 BHADRN c1nc2ccccn2c1CSc1ccccc1 ZINC000183145925 366979957 /nfs/dbraw/zinc/97/99/57/366979957.db2.gz CQIJKWWYIQDBTJ-UHFFFAOYSA-N 0 0 240.331 3.627 20 0 BHADRN c1nc2ccccn2c1CSC1CCCC1 ZINC000183151085 366979630 /nfs/dbraw/zinc/97/96/30/366979630.db2.gz HIJUYZABRXVICA-UHFFFAOYSA-N 0 0 232.352 3.510 20 0 BHADRN CCOc1cc(N[C@@H](C)C2CCC2)ccc1OC ZINC000183155024 643093764 /nfs/dbraw/zinc/09/37/64/643093764.db2.gz PXASZQRDVUGAAN-NSHDSACASA-N 0 0 249.354 3.694 20 0 BHADRN CCOc1cc(N[C@H](C)C2CCC2)ccc1OC ZINC000183155040 643093577 /nfs/dbraw/zinc/09/35/77/643093577.db2.gz PXASZQRDVUGAAN-LLVKDONJSA-N 0 0 249.354 3.694 20 0 BHADRN C[C@H]1C[C@H]1C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000183159460 538965693 /nfs/dbraw/zinc/96/56/93/538965693.db2.gz VGYSICDKCZJLBY-MBNYWOFBSA-N 0 0 243.350 3.573 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000183159498 538965676 /nfs/dbraw/zinc/96/56/76/538965676.db2.gz VGYSICDKCZJLBY-DYEKYZERSA-N 0 0 243.350 3.573 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000183159517 538965706 /nfs/dbraw/zinc/96/57/06/538965706.db2.gz VGYSICDKCZJLBY-OBJOEFQTSA-N 0 0 243.350 3.573 20 0 BHADRN CC(C)COc1ccccc1-c1nccs1 ZINC000183174727 366987782 /nfs/dbraw/zinc/98/77/82/366987782.db2.gz CSFWFVMAULSEKS-UHFFFAOYSA-N 0 0 233.336 3.845 20 0 BHADRN CCCC(=O)N1CCC[C@H](C)c2ccccc21 ZINC000183184500 366992347 /nfs/dbraw/zinc/99/23/47/366992347.db2.gz PMOKOSDSNHCQKM-LBPRGKRZSA-N 0 0 231.339 3.717 20 0 BHADRN CCCC(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000183184514 366992222 /nfs/dbraw/zinc/99/22/22/366992222.db2.gz PMOKOSDSNHCQKM-GFCCVEGCSA-N 0 0 231.339 3.717 20 0 BHADRN CC(C)C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000183191096 366993751 /nfs/dbraw/zinc/99/37/51/366993751.db2.gz OWXRDQTUFBFTKT-GFCCVEGCSA-N 0 0 231.339 3.573 20 0 BHADRN CC(C)C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000183191115 366993801 /nfs/dbraw/zinc/99/38/01/366993801.db2.gz OWXRDQTUFBFTKT-LBPRGKRZSA-N 0 0 231.339 3.573 20 0 BHADRN C[C@@H]1CCCN(C(=O)C2CCC2)c2ccccc21 ZINC000183209416 367000784 /nfs/dbraw/zinc/00/07/84/367000784.db2.gz IIHFACOUTSGUKD-GFCCVEGCSA-N 0 0 243.350 3.717 20 0 BHADRN C[C@H]1CCCN(C(=O)C2CCC2)c2ccccc21 ZINC000183209434 367001081 /nfs/dbraw/zinc/00/10/81/367001081.db2.gz IIHFACOUTSGUKD-LBPRGKRZSA-N 0 0 243.350 3.717 20 0 BHADRN Cc1ccccc1[C@H](NCC(F)(F)F)C(C)C ZINC000183214428 367002531 /nfs/dbraw/zinc/00/25/31/367002531.db2.gz ZFRYCFQFCJDLTL-GFCCVEGCSA-N 0 0 245.288 3.844 20 0 BHADRN Cc1ccccc1[C@@H](NCC(F)(F)F)C(C)C ZINC000183214447 366999903 /nfs/dbraw/zinc/99/99/03/366999903.db2.gz ZFRYCFQFCJDLTL-LBPRGKRZSA-N 0 0 245.288 3.844 20 0 BHADRN Cc1ccccc1[C@H](NCC(F)F)C(C)C ZINC000183225776 538965716 /nfs/dbraw/zinc/96/57/16/538965716.db2.gz YGCDCYSCBKQOQG-CYBMUJFWSA-N 0 0 227.298 3.547 20 0 BHADRN Cc1ccccc1[C@@H](NCC(F)F)C(C)C ZINC000183225796 538965918 /nfs/dbraw/zinc/96/59/18/538965918.db2.gz YGCDCYSCBKQOQG-ZDUSSCGKSA-N 0 0 227.298 3.547 20 0 BHADRN c1cnc2ccc(OC3CCCC3)cc2c1 ZINC000183248916 134352560 /nfs/dbraw/zinc/35/25/60/134352560.db2.gz NYROCJDVKOLTNY-UHFFFAOYSA-N 0 0 213.280 3.556 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1OC ZINC000183249342 398088234 /nfs/dbraw/zinc/08/82/34/398088234.db2.gz UXNAAAQXQSAPTB-VXGBXAGGSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1OC ZINC000183249360 398088784 /nfs/dbraw/zinc/08/87/84/398088784.db2.gz UXNAAAQXQSAPTB-NWDGAFQWSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1OC ZINC000183249374 398088444 /nfs/dbraw/zinc/08/84/44/398088444.db2.gz UXNAAAQXQSAPTB-NEPJUHHUSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1OC ZINC000183249396 256840940 /nfs/dbraw/zinc/84/09/40/256840940.db2.gz UXNAAAQXQSAPTB-RYUDHWBXSA-N 0 0 249.354 3.624 20 0 BHADRN Fc1ccc(-c2ccn(C3CCCC3)n2)cc1 ZINC000183252414 367005213 /nfs/dbraw/zinc/00/52/13/367005213.db2.gz ZXRQEYUCJJQHKX-UHFFFAOYSA-N 0 0 230.286 3.804 20 0 BHADRN FC(F)Oc1ccccc1OC1CCCC1 ZINC000183255238 398088568 /nfs/dbraw/zinc/08/85/68/398088568.db2.gz PBFSLRBOECMHFJ-UHFFFAOYSA-N 0 0 228.238 3.609 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(C)c1ccc(C)cc1C ZINC000183255737 643101188 /nfs/dbraw/zinc/10/11/88/643101188.db2.gz FEWLSMHMUZNLHS-TZMCWYRMSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)c1ccc(C)cc1C ZINC000183255751 643099724 /nfs/dbraw/zinc/09/97/24/643099724.db2.gz FEWLSMHMUZNLHS-GXTWGEPZSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(C)c1ccc(C)cc1C ZINC000183255765 633972744 /nfs/dbraw/zinc/97/27/44/633972744.db2.gz FEWLSMHMUZNLHS-OCCSQVGLSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)c1ccc(C)cc1C ZINC000183255781 633972759 /nfs/dbraw/zinc/97/27/59/633972759.db2.gz FEWLSMHMUZNLHS-JSGCOSHPSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(C)c1cc(C)ccc1C ZINC000183259278 398088348 /nfs/dbraw/zinc/08/83/48/398088348.db2.gz TYGSTURVPDHGSV-TZMCWYRMSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)c1cc(C)ccc1C ZINC000183259297 259305732 /nfs/dbraw/zinc/30/57/32/259305732.db2.gz TYGSTURVPDHGSV-GXTWGEPZSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(C)c1cc(C)ccc1C ZINC000183259320 259305767 /nfs/dbraw/zinc/30/57/67/259305767.db2.gz TYGSTURVPDHGSV-OCCSQVGLSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)c1cc(C)ccc1C ZINC000183259338 398088134 /nfs/dbraw/zinc/08/81/34/398088134.db2.gz TYGSTURVPDHGSV-JSGCOSHPSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(C)c1cccc(C)c1C ZINC000183259588 256840584 /nfs/dbraw/zinc/84/05/84/256840584.db2.gz DXLKGKAJYLARJE-BXUZGUMPSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)c1cccc(C)c1C ZINC000183259600 398088396 /nfs/dbraw/zinc/08/83/96/398088396.db2.gz DXLKGKAJYLARJE-SMDDNHRTSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(C)c1cccc(C)c1C ZINC000183259615 398088423 /nfs/dbraw/zinc/08/84/23/398088423.db2.gz DXLKGKAJYLARJE-RISCZKNCSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)c1cccc(C)c1C ZINC000183259633 398088715 /nfs/dbraw/zinc/08/87/15/398088715.db2.gz DXLKGKAJYLARJE-FZMZJTMJSA-N 0 0 247.382 3.948 20 0 BHADRN C[C@@H](CSC[C@@H]1CCCO1)c1ccccc1 ZINC000183263674 367006593 /nfs/dbraw/zinc/00/65/93/367006593.db2.gz LWVRQDKGYSSZPJ-JSGCOSHPSA-N 0 0 236.380 3.702 20 0 BHADRN C[C@H](CSC[C@@H]1CCCO1)c1ccccc1 ZINC000183263694 367006832 /nfs/dbraw/zinc/00/68/32/367006832.db2.gz LWVRQDKGYSSZPJ-OCCSQVGLSA-N 0 0 236.380 3.702 20 0 BHADRN C[C@@H](CSC[C@H]1CCCO1)c1ccccc1 ZINC000183263713 367006523 /nfs/dbraw/zinc/00/65/23/367006523.db2.gz LWVRQDKGYSSZPJ-GXTWGEPZSA-N 0 0 236.380 3.702 20 0 BHADRN C[C@H](CSC[C@H]1CCCO1)c1ccccc1 ZINC000183263729 367006469 /nfs/dbraw/zinc/00/64/69/367006469.db2.gz LWVRQDKGYSSZPJ-TZMCWYRMSA-N 0 0 236.380 3.702 20 0 BHADRN CCS[C@@H](C)c1nc2ccccc2o1 ZINC000183267621 170647266 /nfs/dbraw/zinc/64/72/66/170647266.db2.gz ANVADWPTEQABFK-QMMMGPOBSA-N 0 0 207.298 3.642 20 0 BHADRN CCS[C@H](C)c1nc2ccccc2o1 ZINC000183267643 385747911 /nfs/dbraw/zinc/74/79/11/385747911.db2.gz ANVADWPTEQABFK-MRVPVSSYSA-N 0 0 207.298 3.642 20 0 BHADRN CC(C)OCCSC[C@@H](C)c1ccccc1 ZINC000183270741 367007305 /nfs/dbraw/zinc/00/73/05/367007305.db2.gz XDRIUNXAPUIYND-CYBMUJFWSA-N 0 0 238.396 3.948 20 0 BHADRN CC(C)OCCSC[C@H](C)c1ccccc1 ZINC000183270761 367007292 /nfs/dbraw/zinc/00/72/92/367007292.db2.gz XDRIUNXAPUIYND-ZDUSSCGKSA-N 0 0 238.396 3.948 20 0 BHADRN C[C@@H](CSCc1ccon1)c1ccccc1 ZINC000183273435 385750228 /nfs/dbraw/zinc/75/02/28/385750228.db2.gz SGBRDXIFEVJBIC-NSHDSACASA-N 0 0 233.336 3.712 20 0 BHADRN C[C@H](CSCc1ccon1)c1ccccc1 ZINC000183273454 385750015 /nfs/dbraw/zinc/75/00/15/385750015.db2.gz SGBRDXIFEVJBIC-LLVKDONJSA-N 0 0 233.336 3.712 20 0 BHADRN Cc1ncccc1OCCSc1ccccc1 ZINC000183273507 134352754 /nfs/dbraw/zinc/35/27/54/134352754.db2.gz TYANSVVXMWMSEN-UHFFFAOYSA-N 0 0 245.347 3.561 20 0 BHADRN Cc1cccc(CCCSCc2ccon2)c1 ZINC000183273558 367008392 /nfs/dbraw/zinc/00/83/92/367008392.db2.gz RLCUDGHTTUUYJJ-UHFFFAOYSA-N 0 0 247.363 3.849 20 0 BHADRN COC[C@H](C)SC[C@@H](C)c1ccccc1 ZINC000183274414 367007794 /nfs/dbraw/zinc/00/77/94/367007794.db2.gz UWSIXTUYNOANAQ-NEPJUHHUSA-N 0 0 224.369 3.558 20 0 BHADRN COC[C@@H](C)SC[C@@H](C)c1ccccc1 ZINC000183274434 367007874 /nfs/dbraw/zinc/00/78/74/367007874.db2.gz UWSIXTUYNOANAQ-VXGBXAGGSA-N 0 0 224.369 3.558 20 0 BHADRN COC[C@H](C)SC[C@H](C)c1ccccc1 ZINC000183274453 367007706 /nfs/dbraw/zinc/00/77/06/367007706.db2.gz UWSIXTUYNOANAQ-RYUDHWBXSA-N 0 0 224.369 3.558 20 0 BHADRN COC[C@@H](C)SC[C@H](C)c1ccccc1 ZINC000183274472 367007899 /nfs/dbraw/zinc/00/78/99/367007899.db2.gz UWSIXTUYNOANAQ-NWDGAFQWSA-N 0 0 224.369 3.558 20 0 BHADRN C[C@H](SCCCF)c1nc2ccccc2o1 ZINC000183278754 177026713 /nfs/dbraw/zinc/02/67/13/177026713.db2.gz VHMOONMVHHNSQW-VIFPVBQESA-N 0 0 239.315 3.982 20 0 BHADRN C[C@@H](SCCCF)c1nc2ccccc2o1 ZINC000183278774 176007869 /nfs/dbraw/zinc/00/78/69/176007869.db2.gz VHMOONMVHHNSQW-SECBINFHSA-N 0 0 239.315 3.982 20 0 BHADRN Cc1cc(N[C@@H](C)c2cncc(F)c2)ccc1F ZINC000183278995 385516385 /nfs/dbraw/zinc/51/63/85/385516385.db2.gz YMSSJXFFVGXXLS-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cc(N[C@H](C)c2cncc(F)c2)ccc1F ZINC000183279016 385515633 /nfs/dbraw/zinc/51/56/33/385515633.db2.gz YMSSJXFFVGXXLS-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Clc1nn(C2CCCC2)c2ccccc12 ZINC000183285969 633976108 /nfs/dbraw/zinc/97/61/08/633976108.db2.gz KFYCXFLSKUQAMW-UHFFFAOYSA-N 0 0 220.703 3.805 20 0 BHADRN CCc1cc(NC(=O)c2cccs2)ccc1C ZINC000183296997 385515769 /nfs/dbraw/zinc/51/57/69/385515769.db2.gz SCYXPAXFJHVHNC-UHFFFAOYSA-N 0 0 245.347 3.871 20 0 BHADRN CCc1cc(NC(=O)c2ccsc2)ccc1C ZINC000183297350 367012101 /nfs/dbraw/zinc/01/21/01/367012101.db2.gz DCJBJIRZAFDQFT-UHFFFAOYSA-N 0 0 245.347 3.871 20 0 BHADRN COc1ccc(F)cc1N[C@@H](C)c1ccco1 ZINC000183298940 367011676 /nfs/dbraw/zinc/01/16/76/367011676.db2.gz VRLSDXYBRUQYCM-VIFPVBQESA-N 0 0 235.258 3.600 20 0 BHADRN CCc1cc(NC(=O)c2occc2C)ccc1C ZINC000183298964 367011472 /nfs/dbraw/zinc/01/14/72/367011472.db2.gz BZTSKUBQVRPRSA-UHFFFAOYSA-N 0 0 243.306 3.711 20 0 BHADRN COc1ccc(F)cc1N[C@H](C)c1ccco1 ZINC000183298970 367011983 /nfs/dbraw/zinc/01/19/83/367011983.db2.gz VRLSDXYBRUQYCM-SECBINFHSA-N 0 0 235.258 3.600 20 0 BHADRN C[C@H]([NH2+][C@H]1CC=CCC1)c1cccc(F)c1F ZINC000183299855 385751809 /nfs/dbraw/zinc/75/18/09/385751809.db2.gz SPZXZCMBROHLOX-QWRGUYRKSA-N 0 0 237.293 3.724 20 0 BHADRN COc1ccc(F)cc1N[C@@H](C)c1ccoc1 ZINC000183302098 367012610 /nfs/dbraw/zinc/01/26/10/367012610.db2.gz QSRFNIIUIQZDEU-VIFPVBQESA-N 0 0 235.258 3.600 20 0 BHADRN COc1ccc(F)cc1N[C@H](C)c1ccoc1 ZINC000183302112 367012578 /nfs/dbraw/zinc/01/25/78/367012578.db2.gz QSRFNIIUIQZDEU-SECBINFHSA-N 0 0 235.258 3.600 20 0 BHADRN CCc1cc(NC(=O)c2ccc(C)o2)ccc1C ZINC000183306282 367013089 /nfs/dbraw/zinc/01/30/89/367013089.db2.gz YXYCPDSVEREGGW-UHFFFAOYSA-N 0 0 243.306 3.711 20 0 BHADRN COc1ccc(F)cc1N[C@H](C)c1ccc(C)o1 ZINC000183306352 367013703 /nfs/dbraw/zinc/01/37/03/367013703.db2.gz YZFZONFBVHIUSA-SNVBAGLBSA-N 0 0 249.285 3.909 20 0 BHADRN COc1ccc(F)cc1N[C@@H](C)c1ccc(C)o1 ZINC000183306374 367012066 /nfs/dbraw/zinc/01/20/66/367012066.db2.gz YZFZONFBVHIUSA-JTQLQIEISA-N 0 0 249.285 3.909 20 0 BHADRN CCc1cc(NC(=O)c2ccoc2C)ccc1C ZINC000183306669 367013254 /nfs/dbraw/zinc/01/32/54/367013254.db2.gz IBMSBCPFENBTFH-UHFFFAOYSA-N 0 0 243.306 3.711 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)NC1(C)CCCCC1 ZINC000183311604 398088413 /nfs/dbraw/zinc/08/84/13/398088413.db2.gz RZUIWHRMUDCEEG-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NC1(C)CCCCC1 ZINC000183311619 398088189 /nfs/dbraw/zinc/08/81/89/398088189.db2.gz RZUIWHRMUDCEEG-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NC1(C)CCCCC1 ZINC000183311635 398088480 /nfs/dbraw/zinc/08/84/80/398088480.db2.gz RZUIWHRMUDCEEG-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NC1(C)CCCCC1 ZINC000183311654 388569565 /nfs/dbraw/zinc/56/95/65/388569565.db2.gz RZUIWHRMUDCEEG-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CSCCSC[C@H](C)c1ccccc1 ZINC000183333390 643106048 /nfs/dbraw/zinc/10/60/48/643106048.db2.gz BOCFBKCLNCQZJD-NSHDSACASA-N 0 0 226.410 3.886 20 0 BHADRN CSCCSC[C@@H](C)c1ccccc1 ZINC000183333407 633976288 /nfs/dbraw/zinc/97/62/88/633976288.db2.gz BOCFBKCLNCQZJD-LLVKDONJSA-N 0 0 226.410 3.886 20 0 BHADRN CCn1cc(N[C@@H](C)c2cccc(C)c2C)cn1 ZINC000183375152 172186799 /nfs/dbraw/zinc/18/67/99/172186799.db2.gz GQYLWMLWHYAXMA-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1cc(N[C@H](C)c2cccc(C)c2C)cn1 ZINC000183375180 172188589 /nfs/dbraw/zinc/18/85/89/172188589.db2.gz GQYLWMLWHYAXMA-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCc1ccco1 ZINC000183380798 643110294 /nfs/dbraw/zinc/11/02/94/643110294.db2.gz JSHNIWIIPBJNDK-GFCCVEGCSA-N 0 0 237.343 3.502 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCc1ccco1 ZINC000183380820 643111872 /nfs/dbraw/zinc/11/18/72/643111872.db2.gz JSHNIWIIPBJNDK-LBPRGKRZSA-N 0 0 237.343 3.502 20 0 BHADRN CC[C@@H](C)NC(=O)[C@@H](C)CCCc1ccccc1 ZINC000183386015 367019935 /nfs/dbraw/zinc/01/99/35/367019935.db2.gz LKCWTNJTOBUZQH-UONOGXRCSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@H](C)NC(=O)[C@@H](C)CCCc1ccccc1 ZINC000183386033 367019450 /nfs/dbraw/zinc/01/94/50/367019450.db2.gz LKCWTNJTOBUZQH-KBPBESRZSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@@H](C)NC(=O)[C@H](C)CCCc1ccccc1 ZINC000183386053 367019854 /nfs/dbraw/zinc/01/98/54/367019854.db2.gz LKCWTNJTOBUZQH-ZIAGYGMSSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@H](C)NC(=O)[C@H](C)CCCc1ccccc1 ZINC000183386071 367019478 /nfs/dbraw/zinc/01/94/78/367019478.db2.gz LKCWTNJTOBUZQH-KGLIPLIRSA-N 0 0 247.382 3.560 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@@H](C)CC ZINC000183386096 643111444 /nfs/dbraw/zinc/11/14/44/643111444.db2.gz RGZUZCKGJNHVGG-NWDGAFQWSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H](C)CC ZINC000183386117 633978257 /nfs/dbraw/zinc/97/82/57/633978257.db2.gz RGZUZCKGJNHVGG-RYUDHWBXSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@H](C)CC ZINC000183386139 643111859 /nfs/dbraw/zinc/11/18/59/643111859.db2.gz RGZUZCKGJNHVGG-VXGBXAGGSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H](C)CC ZINC000183386161 643111583 /nfs/dbraw/zinc/11/15/83/643111583.db2.gz RGZUZCKGJNHVGG-NEPJUHHUSA-N 0 0 213.365 3.508 20 0 BHADRN C[C@H](Nc1cnn(C(C)(C)C)c1)C1CCCC1 ZINC000183392806 367019996 /nfs/dbraw/zinc/01/99/96/367019996.db2.gz QGXCXHLALLRAFT-NSHDSACASA-N 0 0 235.375 3.629 20 0 BHADRN C[C@@H](Nc1cnn(C(C)(C)C)c1)C1CCCC1 ZINC000183392825 367019430 /nfs/dbraw/zinc/01/94/30/367019430.db2.gz QGXCXHLALLRAFT-LLVKDONJSA-N 0 0 235.375 3.629 20 0 BHADRN C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccsc1 ZINC000183395855 367020879 /nfs/dbraw/zinc/02/08/79/367020879.db2.gz FQMWCOPMYAZRIZ-JTQLQIEISA-N 0 0 249.383 3.873 20 0 BHADRN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccsc1 ZINC000183395869 367021023 /nfs/dbraw/zinc/02/10/23/367021023.db2.gz FQMWCOPMYAZRIZ-SNVBAGLBSA-N 0 0 249.383 3.873 20 0 BHADRN C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000183399948 367020980 /nfs/dbraw/zinc/02/09/80/367020980.db2.gz SPCKJFYEPWZSLT-LBPRGKRZSA-N 0 0 243.354 3.811 20 0 BHADRN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000183399966 367020756 /nfs/dbraw/zinc/02/07/56/367020756.db2.gz SPCKJFYEPWZSLT-GFCCVEGCSA-N 0 0 243.354 3.811 20 0 BHADRN C[C@H](Nc1cnn(C(C)(C)C)c1)c1cccs1 ZINC000183400071 367020925 /nfs/dbraw/zinc/02/09/25/367020925.db2.gz YGLWCYZMMAHAAI-JTQLQIEISA-N 0 0 249.383 3.873 20 0 BHADRN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1cccs1 ZINC000183400088 367021329 /nfs/dbraw/zinc/02/13/29/367021329.db2.gz YGLWCYZMMAHAAI-SNVBAGLBSA-N 0 0 249.383 3.873 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC[C@H](C)C1 ZINC000183402666 643111684 /nfs/dbraw/zinc/11/16/84/643111684.db2.gz UHGYGVOUMFXSHS-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC[C@H](C)C1 ZINC000183402690 643110482 /nfs/dbraw/zinc/11/04/82/643110482.db2.gz UHGYGVOUMFXSHS-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC[C@@H](C)C1 ZINC000183402710 643110918 /nfs/dbraw/zinc/11/09/18/643110918.db2.gz UHGYGVOUMFXSHS-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC[C@@H](C)C1 ZINC000183402727 643112126 /nfs/dbraw/zinc/11/21/26/643112126.db2.gz UHGYGVOUMFXSHS-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCN(CC)C(=O)[C@@H](C)CCCc1ccccc1 ZINC000183404442 367020845 /nfs/dbraw/zinc/02/08/45/367020845.db2.gz QDVGQWDWBDWOOE-AWEZNQCLSA-N 0 0 247.382 3.514 20 0 BHADRN CCN(CC)C(=O)[C@H](C)CCCc1ccccc1 ZINC000183404457 367021413 /nfs/dbraw/zinc/02/14/13/367021413.db2.gz QDVGQWDWBDWOOE-CQSZACIVSA-N 0 0 247.382 3.514 20 0 BHADRN CCCCNC(=O)[C@@H](C)CCCc1ccccc1 ZINC000183409331 367020827 /nfs/dbraw/zinc/02/08/27/367020827.db2.gz WJYXBIOAZJGQHN-AWEZNQCLSA-N 0 0 247.382 3.562 20 0 BHADRN CCCCNC(=O)[C@H](C)CCCc1ccccc1 ZINC000183409349 367020613 /nfs/dbraw/zinc/02/06/13/367020613.db2.gz WJYXBIOAZJGQHN-CQSZACIVSA-N 0 0 247.382 3.562 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCCCC ZINC000183409373 633977793 /nfs/dbraw/zinc/97/77/93/633977793.db2.gz ZUOBKHUHIVHGSJ-GFCCVEGCSA-N 0 0 213.365 3.509 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCCCC ZINC000183409392 643114079 /nfs/dbraw/zinc/11/40/79/643114079.db2.gz ZUOBKHUHIVHGSJ-LBPRGKRZSA-N 0 0 213.365 3.509 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1cccnc1 ZINC000183412114 643114463 /nfs/dbraw/zinc/11/44/63/643114463.db2.gz DFOBDGKHCHQXCI-GFCCVEGCSA-N 0 0 234.343 3.627 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1cccnc1 ZINC000183412133 643113236 /nfs/dbraw/zinc/11/32/36/643113236.db2.gz DFOBDGKHCHQXCI-LBPRGKRZSA-N 0 0 234.343 3.627 20 0 BHADRN O=[S@](C/C=C/c1ccccc1)CC1CCCC1 ZINC000183419678 385761299 /nfs/dbraw/zinc/76/12/99/385761299.db2.gz GKNWVXYPHKAMQA-SCBHQAGPSA-N 0 0 248.391 3.639 20 0 BHADRN O=[S@@](C/C=C/c1ccccc1)CC1CCCC1 ZINC000183419695 385760267 /nfs/dbraw/zinc/76/02/67/385760267.db2.gz GKNWVXYPHKAMQA-CEUCYRDJSA-N 0 0 248.391 3.639 20 0 BHADRN C[C@H](Nc1cnn(CC2CC2)c1)c1ccsc1 ZINC000183425019 538966929 /nfs/dbraw/zinc/96/69/29/538966929.db2.gz MRINTAJAPCSJLV-JTQLQIEISA-N 0 0 247.367 3.528 20 0 BHADRN C[C@@H](Nc1cnn(CC2CC2)c1)c1ccsc1 ZINC000183425041 538967110 /nfs/dbraw/zinc/96/71/10/538967110.db2.gz MRINTAJAPCSJLV-SNVBAGLBSA-N 0 0 247.367 3.528 20 0 BHADRN C[C@H](Nc1cnn(CC2CC2)c1)c1cccs1 ZINC000183428965 538967218 /nfs/dbraw/zinc/96/72/18/538967218.db2.gz NXTGFIADGBQXKP-JTQLQIEISA-N 0 0 247.367 3.528 20 0 BHADRN C[C@@H](Nc1cnn(CC2CC2)c1)c1cccs1 ZINC000183428983 538966887 /nfs/dbraw/zinc/96/68/87/538966887.db2.gz NXTGFIADGBQXKP-SNVBAGLBSA-N 0 0 247.367 3.528 20 0 BHADRN C[C@@H](c1ccccc1)[S@@](=O)CC1CCCC1 ZINC000183434024 176023294 /nfs/dbraw/zinc/02/32/94/176023294.db2.gz LHGLQBNANWJSJT-LRDDRELGSA-N 0 0 236.380 3.687 20 0 BHADRN C[C@H](c1ccccc1)[S@@](=O)CC1CCCC1 ZINC000183434051 177040798 /nfs/dbraw/zinc/04/07/98/177040798.db2.gz LHGLQBNANWJSJT-WBMJQRKESA-N 0 0 236.380 3.687 20 0 BHADRN C[C@@H](c1ccccc1)[S@](=O)CC1CCCC1 ZINC000183434069 176022776 /nfs/dbraw/zinc/02/27/76/176022776.db2.gz LHGLQBNANWJSJT-BLLLJJGKSA-N 0 0 236.380 3.687 20 0 BHADRN C[C@H](c1ccccc1)[S@](=O)CC1CCCC1 ZINC000183434092 177040841 /nfs/dbraw/zinc/04/08/41/177040841.db2.gz LHGLQBNANWJSJT-MLGOLLRUSA-N 0 0 236.380 3.687 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC1CCCC1 ZINC000183436310 643119525 /nfs/dbraw/zinc/11/95/25/643119525.db2.gz UIOYUYZVNHCGHC-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC1CCCC1 ZINC000183436326 643119844 /nfs/dbraw/zinc/11/98/44/643119844.db2.gz UIOYUYZVNHCGHC-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN COCCC[C@H](C)Nc1ccc(Cl)cc1C ZINC000183444594 385546542 /nfs/dbraw/zinc/54/65/42/385546542.db2.gz GXKSXZWPAUOUGH-NSHDSACASA-N 0 0 241.762 3.875 20 0 BHADRN COCCC[C@@H](C)Nc1ccc(Cl)cc1C ZINC000183444611 385546704 /nfs/dbraw/zinc/54/67/04/385546704.db2.gz GXKSXZWPAUOUGH-LLVKDONJSA-N 0 0 241.762 3.875 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC(C)CC1 ZINC000183445032 633980765 /nfs/dbraw/zinc/98/07/65/633980765.db2.gz MFECZXVESZHEOB-CQSZACIVSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC(C)CC1 ZINC000183445053 633979643 /nfs/dbraw/zinc/97/96/43/633979643.db2.gz MFECZXVESZHEOB-AWEZNQCLSA-N 0 0 239.403 3.851 20 0 BHADRN O=[S@@](CC1CCCC1)c1ccc(Cl)cc1 ZINC000183453316 385764112 /nfs/dbraw/zinc/76/41/12/385764112.db2.gz VSHITKBFNXYHCP-HNNXBMFYSA-N 0 0 242.771 3.638 20 0 BHADRN O=[S@](CC1CCCC1)c1ccc(Cl)cc1 ZINC000183453334 385762987 /nfs/dbraw/zinc/76/29/87/385762987.db2.gz VSHITKBFNXYHCP-OAHLLOKOSA-N 0 0 242.771 3.638 20 0 BHADRN Cc1ccc([S@@](=O)CC2CCCC2)cc1C ZINC000183453908 367023546 /nfs/dbraw/zinc/02/35/46/367023546.db2.gz RYTJWPVDFFOMBP-INIZCTEOSA-N 0 0 236.380 3.601 20 0 BHADRN Cc1ccc([S@](=O)CC2CCCC2)cc1C ZINC000183453923 347127019 /nfs/dbraw/zinc/12/70/19/347127019.db2.gz RYTJWPVDFFOMBP-MRXNPFEDSA-N 0 0 236.380 3.601 20 0 BHADRN Cc1ccc(C)c([S@@](=O)CC2CCCC2)c1 ZINC000183454128 367023780 /nfs/dbraw/zinc/02/37/80/367023780.db2.gz WXTHVBZOMCZCOZ-INIZCTEOSA-N 0 0 236.380 3.601 20 0 BHADRN Cc1ccc(C)c([S@](=O)CC2CCCC2)c1 ZINC000183454145 367024394 /nfs/dbraw/zinc/02/43/94/367024394.db2.gz WXTHVBZOMCZCOZ-MRXNPFEDSA-N 0 0 236.380 3.601 20 0 BHADRN Cc1ccc([S@@](=O)CC2CCCC2)c(C)c1 ZINC000183454171 367023474 /nfs/dbraw/zinc/02/34/74/367023474.db2.gz WLGGUMPYRLLIAU-INIZCTEOSA-N 0 0 236.380 3.601 20 0 BHADRN Cc1ccc([S@](=O)CC2CCCC2)c(C)c1 ZINC000183454192 367023580 /nfs/dbraw/zinc/02/35/80/367023580.db2.gz WLGGUMPYRLLIAU-MRXNPFEDSA-N 0 0 236.380 3.601 20 0 BHADRN CC1(C)CCC(CSc2nncs2)CC1 ZINC000183454743 367024472 /nfs/dbraw/zinc/02/44/72/367024472.db2.gz CUHJCPMQLHGPLA-UHFFFAOYSA-N 0 0 242.413 3.847 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCCC[C@@H]1C ZINC000183455827 643125326 /nfs/dbraw/zinc/12/53/26/643125326.db2.gz AYFNHMFTCMNNTE-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCCC[C@@H]1C ZINC000183455847 643126163 /nfs/dbraw/zinc/12/61/63/643126163.db2.gz AYFNHMFTCMNNTE-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCCC[C@H]1C ZINC000183455864 643123899 /nfs/dbraw/zinc/12/38/99/643123899.db2.gz AYFNHMFTCMNNTE-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCCC[C@H]1C ZINC000183455885 643125912 /nfs/dbraw/zinc/12/59/12/643125912.db2.gz AYFNHMFTCMNNTE-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN O=[S@@](CC1CCCC1)c1cccc(Cl)c1 ZINC000183459621 385763728 /nfs/dbraw/zinc/76/37/28/385763728.db2.gz PFYSXSCKKNVRRA-HNNXBMFYSA-N 0 0 242.771 3.638 20 0 BHADRN O=[S@](CC1CCCC1)c1cccc(Cl)c1 ZINC000183459641 385764117 /nfs/dbraw/zinc/76/41/17/385764117.db2.gz PFYSXSCKKNVRRA-OAHLLOKOSA-N 0 0 242.771 3.638 20 0 BHADRN O=[S@@](CC1CCCC1)CC1CCCCC1 ZINC000183460118 347127226 /nfs/dbraw/zinc/12/72/26/347127226.db2.gz DLMSIYSIDMWXKG-OAHLLOKOSA-N 0 0 228.401 3.506 20 0 BHADRN O=[S@](CC1CCCC1)CC1CCCCC1 ZINC000183460134 367026002 /nfs/dbraw/zinc/02/60/02/367026002.db2.gz DLMSIYSIDMWXKG-HNNXBMFYSA-N 0 0 228.401 3.506 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(CC)[C@@H](C)C(C)C ZINC000183536179 388569923 /nfs/dbraw/zinc/56/99/23/388569923.db2.gz BGBSXRSFQSOPGE-XQQFMLRXSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(CC)[C@@H](C)C(C)C ZINC000183536206 388569647 /nfs/dbraw/zinc/56/96/47/388569647.db2.gz BGBSXRSFQSOPGE-AVGNSLFASA-N 0 0 227.392 3.562 20 0 BHADRN FC(F)(F)CNC1(c2ccccc2)CCCC1 ZINC000183542059 367029734 /nfs/dbraw/zinc/02/97/34/367029734.db2.gz ZIBQEKUPBZJLDF-UHFFFAOYSA-N 0 0 243.272 3.608 20 0 BHADRN c1nnc(SCC2CCCCCC2)s1 ZINC000183657785 367035509 /nfs/dbraw/zinc/03/55/09/367035509.db2.gz JGVYDNGTVQSXBW-UHFFFAOYSA-N 0 0 228.386 3.601 20 0 BHADRN Cc1nnc(SCC2CCCCCC2)s1 ZINC000183660561 367035026 /nfs/dbraw/zinc/03/50/26/367035026.db2.gz FVBZWXGWGZXQRW-UHFFFAOYSA-N 0 0 242.413 3.909 20 0 BHADRN N#CC1(COC(=O)C2CCCCC2)CCCCC1 ZINC000183701725 643157075 /nfs/dbraw/zinc/15/70/75/643157075.db2.gz GNKFPPRITNJSBL-UHFFFAOYSA-N 0 0 249.354 3.584 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(C)c1ccc(C)cc1 ZINC000183710608 643157850 /nfs/dbraw/zinc/15/78/50/643157850.db2.gz IVIIGESYNRQGMH-CHWSQXEVSA-N 0 0 233.355 3.640 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)c1ccc(C)cc1 ZINC000183710624 643157635 /nfs/dbraw/zinc/15/76/35/643157635.db2.gz IVIIGESYNRQGMH-QWHCGFSZSA-N 0 0 233.355 3.640 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(C)c1ccc(C)cc1 ZINC000183710645 643157007 /nfs/dbraw/zinc/15/70/07/643157007.db2.gz IVIIGESYNRQGMH-OLZOCXBDSA-N 0 0 233.355 3.640 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)c1ccc(C)cc1 ZINC000183710661 643157592 /nfs/dbraw/zinc/15/75/92/643157592.db2.gz IVIIGESYNRQGMH-STQMWFEESA-N 0 0 233.355 3.640 20 0 BHADRN Cc1cccc([C@@H](C)NCC(F)(F)F)c1C ZINC000183718843 384567937 /nfs/dbraw/zinc/56/79/37/384567937.db2.gz NVQVNMUYLKMNPZ-SNVBAGLBSA-N 0 0 231.261 3.516 20 0 BHADRN Cc1cccc([C@H](C)NCC(F)(F)F)c1C ZINC000183718863 384569673 /nfs/dbraw/zinc/56/96/73/384569673.db2.gz NVQVNMUYLKMNPZ-JTQLQIEISA-N 0 0 231.261 3.516 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000183724048 385792060 /nfs/dbraw/zinc/79/20/60/385792060.db2.gz AVTWTLLPWGELQF-GHMZBOCLSA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000183724063 171360677 /nfs/dbraw/zinc/36/06/77/171360677.db2.gz AVTWTLLPWGELQF-WDEREUQCSA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000183724072 385792580 /nfs/dbraw/zinc/79/25/80/385792580.db2.gz AVTWTLLPWGELQF-MNOVXSKESA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000183724083 171385601 /nfs/dbraw/zinc/38/56/01/171385601.db2.gz AVTWTLLPWGELQF-QWRGUYRKSA-N 0 0 244.338 3.789 20 0 BHADRN C[C@@H]1CN(C(=O)C2CCCCC2)[C@H]2CCCC[C@H]12 ZINC000183772507 367045772 /nfs/dbraw/zinc/04/57/72/367045772.db2.gz YHYAZJPRAUCQNR-YUELXQCFSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CN(C(=O)C2CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000183772547 367045144 /nfs/dbraw/zinc/04/51/44/367045144.db2.gz YHYAZJPRAUCQNR-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CN(C(=O)CCC2CCC2)[C@H]2CCCC[C@H]12 ZINC000183777443 367046398 /nfs/dbraw/zinc/04/63/98/367046398.db2.gz NAFTYHUBQUIJOR-YUELXQCFSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CN(C(=O)CCC2CCC2)[C@@H]2CCCC[C@@H]21 ZINC000183777473 367046301 /nfs/dbraw/zinc/04/63/01/367046301.db2.gz NAFTYHUBQUIJOR-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(=O)CCCSc1ccc(F)cc1 ZINC000183784382 168200455 /nfs/dbraw/zinc/20/04/55/168200455.db2.gz DYQKULBRRLNWFX-UHFFFAOYSA-N 0 0 226.316 3.677 20 0 BHADRN CCC(=O)CCCSc1ccccc1F ZINC000183789274 168200386 /nfs/dbraw/zinc/20/03/86/168200386.db2.gz SBOACNSKBIOZHR-UHFFFAOYSA-N 0 0 226.316 3.677 20 0 BHADRN C[C@@H]1CN(C(=O)CC2CCCC2)[C@H]2CCCC[C@H]12 ZINC000183790889 367047153 /nfs/dbraw/zinc/04/71/53/367047153.db2.gz WEJJYWLXSUNJSI-YUELXQCFSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CN(C(=O)CC2CCCC2)[C@@H]2CCCC[C@@H]21 ZINC000183790931 367046384 /nfs/dbraw/zinc/04/63/84/367046384.db2.gz WEJJYWLXSUNJSI-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN O=c1c2ccoc2ccn1CC1CCCCCC1 ZINC000183791511 134354218 /nfs/dbraw/zinc/35/42/18/134354218.db2.gz KAXVGTYODZIRQK-UHFFFAOYSA-N 0 0 245.322 3.565 20 0 BHADRN CCC(=O)CCCSCc1ccccc1C ZINC000183796390 384594008 /nfs/dbraw/zinc/59/40/08/384594008.db2.gz NGXDNEXKVJMOCW-UHFFFAOYSA-N 0 0 236.380 3.988 20 0 BHADRN C(SC1=NCCS1)C1CCCCCC1 ZINC000183804924 643168391 /nfs/dbraw/zinc/16/83/91/643168391.db2.gz SDUOTTRNZJBGLJ-UHFFFAOYSA-N 0 0 229.414 3.793 20 0 BHADRN CCC(=O)CCCSc1nc2ccccc2o1 ZINC000183805143 384593817 /nfs/dbraw/zinc/59/38/17/384593817.db2.gz YSXLVBLHLKGDSF-UHFFFAOYSA-N 0 0 249.335 3.679 20 0 BHADRN CCC(=O)CCCSCc1ccccc1 ZINC000183827128 168199752 /nfs/dbraw/zinc/19/97/52/168199752.db2.gz LHWKHAWWHUASQB-UHFFFAOYSA-N 0 0 222.353 3.679 20 0 BHADRN CCC(=O)CCCSc1ccc(C)cc1 ZINC000183827252 385961367 /nfs/dbraw/zinc/96/13/67/385961367.db2.gz YHEAXIXVMNMUOG-UHFFFAOYSA-N 0 0 222.353 3.846 20 0 BHADRN CCCCCC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000183843568 367053633 /nfs/dbraw/zinc/05/36/33/367053633.db2.gz INUILDQFWSTCQS-MJBXVCDLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000183843614 367053643 /nfs/dbraw/zinc/05/36/43/367053643.db2.gz INUILDQFWSTCQS-IHRRRGAJSA-N 0 0 237.387 3.604 20 0 BHADRN CCC(=O)CCCSc1ccc(OC)cc1 ZINC000183850179 168200723 /nfs/dbraw/zinc/20/07/23/168200723.db2.gz DTWRSBQBPKLRBE-UHFFFAOYSA-N 0 0 238.352 3.547 20 0 BHADRN CCC(=O)CCCSc1ccc(F)c(F)c1 ZINC000183856765 385584393 /nfs/dbraw/zinc/58/43/93/385584393.db2.gz YNXZFRSLABHKKI-UHFFFAOYSA-N 0 0 244.306 3.816 20 0 BHADRN CCC(=O)CCCSc1ncccc1Cl ZINC000183865581 168200887 /nfs/dbraw/zinc/20/08/87/168200887.db2.gz TWXLBYPARRUVFP-UHFFFAOYSA-N 0 0 243.759 3.586 20 0 BHADRN CCC(=O)CCCSc1cccc(OC)c1 ZINC000183869856 168199756 /nfs/dbraw/zinc/19/97/56/168199756.db2.gz UVEVUUZTDCPYNR-UHFFFAOYSA-N 0 0 238.352 3.547 20 0 BHADRN CCC(=O)CCCSc1ccc(Cl)cn1 ZINC000183870831 168199919 /nfs/dbraw/zinc/19/99/19/168199919.db2.gz AEYVPILLZHKLKA-UHFFFAOYSA-N 0 0 243.759 3.586 20 0 BHADRN CCC(=O)CCCSc1cccs1 ZINC000183874090 168200752 /nfs/dbraw/zinc/20/07/52/168200752.db2.gz YJOHADAMGJHUEI-UHFFFAOYSA-N 0 0 214.355 3.600 20 0 BHADRN c1sc(-c2ccccc2)nc1[C@@H]1CCCOC1 ZINC000183874847 367054254 /nfs/dbraw/zinc/05/42/54/367054254.db2.gz XLLNKBVYWLBQCQ-GFCCVEGCSA-N 0 0 245.347 3.704 20 0 BHADRN c1sc(-c2ccccc2)nc1[C@H]1CCCOC1 ZINC000183874866 367054746 /nfs/dbraw/zinc/05/47/46/367054746.db2.gz XLLNKBVYWLBQCQ-LBPRGKRZSA-N 0 0 245.347 3.704 20 0 BHADRN CCC(=O)CCCSc1ccccc1C ZINC000183875978 528286760 /nfs/dbraw/zinc/28/67/60/528286760.db2.gz GUYKNWMAYRZDQP-UHFFFAOYSA-N 0 0 222.353 3.846 20 0 BHADRN CCC(=O)CCCSc1ccccc1OC ZINC000183876558 347197271 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ZINC000183897438 367057111 /nfs/dbraw/zinc/05/71/11/367057111.db2.gz QFJRCOISKRKFPO-UHFFFAOYSA-N 0 0 228.401 3.869 20 0 BHADRN CC#CCCCCOC(=O)[C@@H](C)c1ccccc1 ZINC000183923673 643184073 /nfs/dbraw/zinc/18/40/73/643184073.db2.gz PFIAXYDREAEANT-AWEZNQCLSA-N 0 0 244.334 3.527 20 0 BHADRN Cc1cccc(N[C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC000183927582 388572028 /nfs/dbraw/zinc/57/20/28/388572028.db2.gz IHGVEPPSAFRMRB-LBPRGKRZSA-N 0 0 249.354 3.527 20 0 BHADRN Cc1cccc(N[C@H](C)CC(=O)OC(C)(C)C)c1 ZINC000183927602 387332068 /nfs/dbraw/zinc/33/20/68/387332068.db2.gz IHGVEPPSAFRMRB-GFCCVEGCSA-N 0 0 249.354 3.527 20 0 BHADRN Cc1ccc(N[C@@H](C)CC(=O)OC(C)(C)C)cc1 ZINC000183927658 388572013 /nfs/dbraw/zinc/57/20/13/388572013.db2.gz SECLBJCWRCTSKR-LBPRGKRZSA-N 0 0 249.354 3.527 20 0 BHADRN Cc1ccc(N[C@H](C)CC(=O)OC(C)(C)C)cc1 ZINC000183927672 388572036 /nfs/dbraw/zinc/57/20/36/388572036.db2.gz SECLBJCWRCTSKR-GFCCVEGCSA-N 0 0 249.354 3.527 20 0 BHADRN CC/C=C(\C)C(=O)Nc1nccc2sccc21 ZINC000183933961 643184244 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134358947 /nfs/dbraw/zinc/35/89/47/134358947.db2.gz DYYFYHUQNLEKRW-UHFFFAOYSA-N 0 0 249.260 3.591 20 0 BHADRN Cc1nnc(SCC2CCC(C)CC2)s1 ZINC000184145575 367066228 /nfs/dbraw/zinc/06/62/28/367066228.db2.gz PHMOIHBJYGIPHF-UHFFFAOYSA-N 0 0 242.413 3.765 20 0 BHADRN CCC1(C(=O)Nc2ccc(O)cc2)CCCCC1 ZINC000184207745 388576186 /nfs/dbraw/zinc/57/61/86/388576186.db2.gz PBXWCFNFRZFEPT-UHFFFAOYSA-N 0 0 247.338 3.691 20 0 BHADRN CSCCCOc1cccc2nc(C)ccc21 ZINC000184241931 134361034 /nfs/dbraw/zinc/36/10/34/134361034.db2.gz SDYIFSJYPJIQDB-UHFFFAOYSA-N 0 0 247.363 3.675 20 0 BHADRN CC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000184274322 134361632 /nfs/dbraw/zinc/36/16/32/134361632.db2.gz HULPRFPXNLZSOF-VIFPVBQESA-N 0 0 247.725 3.690 20 0 BHADRN CC(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000184274339 534614545 /nfs/dbraw/zinc/61/45/45/534614545.db2.gz HULPRFPXNLZSOF-SECBINFHSA-N 0 0 247.725 3.690 20 0 BHADRN Cc1csc(Cc2cc(C)ccc2C)n1 ZINC000184308971 367072107 /nfs/dbraw/zinc/07/21/07/367072107.db2.gz VYTIGMAOOOLRJN-UHFFFAOYSA-N 0 0 217.337 3.659 20 0 BHADRN CCOc1ccc2ccccc2c1OC(=O)CC ZINC000184323098 384595748 /nfs/dbraw/zinc/59/57/48/384595748.db2.gz IEDXVYWBSFHHOP-UHFFFAOYSA-N 0 0 244.290 3.554 20 0 BHADRN CCc1noc([C@@H](C)SCC2CCCC2)n1 ZINC000184325754 134362669 /nfs/dbraw/zinc/36/26/69/134362669.db2.gz MYJMFXIJCPJXAA-SECBINFHSA-N 0 0 240.372 3.616 20 0 BHADRN CCc1noc([C@H](C)SCC2CCCC2)n1 ZINC000184325772 134362526 /nfs/dbraw/zinc/36/25/26/134362526.db2.gz MYJMFXIJCPJXAA-VIFPVBQESA-N 0 0 240.372 3.616 20 0 BHADRN CC(C)c1nnc(CSCC2CCCC2)o1 ZINC000184330984 534991194 /nfs/dbraw/zinc/99/11/94/534991194.db2.gz UTOUUVNROCSQFP-UHFFFAOYSA-N 0 0 240.372 3.616 20 0 BHADRN c1ccc(CCSCC2CCCC2)nc1 ZINC000184332195 134362682 /nfs/dbraw/zinc/36/26/82/134362682.db2.gz GOXPNPMMMLYTJI-UHFFFAOYSA-N 0 0 221.369 3.548 20 0 BHADRN O=C(CSCC1CCCC1)Nc1ccccc1 ZINC000184338909 134362961 /nfs/dbraw/zinc/36/29/61/134362961.db2.gz HAYAPOIHRMTDLX-UHFFFAOYSA-N 0 0 249.379 3.549 20 0 BHADRN Cc1ccc(C(=O)N2CCCC[C@H](C)C2)cc1C ZINC000184355002 134362799 /nfs/dbraw/zinc/36/27/99/134362799.db2.gz ZQRSHDGBOHRWTF-LBPRGKRZSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1ccc(C(=O)N2CCCC[C@@H](C)C2)cc1C ZINC000184355022 134362883 /nfs/dbraw/zinc/36/28/83/134362883.db2.gz ZQRSHDGBOHRWTF-GFCCVEGCSA-N 0 0 245.366 3.566 20 0 BHADRN C[C@@H]1CCCCN(C(=O)CC2=CCCCC2)C1 ZINC000184358095 256844687 /nfs/dbraw/zinc/84/46/87/256844687.db2.gz GNTZCJBWCTWHHF-CYBMUJFWSA-N 0 0 235.371 3.526 20 0 BHADRN C[C@H]1CCCCN(C(=O)CC2=CCCCC2)C1 ZINC000184358119 256844668 /nfs/dbraw/zinc/84/46/68/256844668.db2.gz GNTZCJBWCTWHHF-ZDUSSCGKSA-N 0 0 235.371 3.526 20 0 BHADRN CC[C@@H](CC(=O)N1CCCC[C@H](C)C1)C(C)C ZINC000184361703 256844771 /nfs/dbraw/zinc/84/47/71/256844771.db2.gz JITQVUCTHFVZQW-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](CC(=O)N1CCCC[C@H](C)C1)C(C)C ZINC000184361722 256844564 /nfs/dbraw/zinc/84/45/64/256844564.db2.gz JITQVUCTHFVZQW-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H](CC(=O)N1CCCC[C@@H](C)C1)C(C)C ZINC000184361741 411440481 /nfs/dbraw/zinc/44/04/81/411440481.db2.gz JITQVUCTHFVZQW-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](CC(=O)N1CCCC[C@@H](C)C1)C(C)C ZINC000184361758 256627846 /nfs/dbraw/zinc/62/78/46/256627846.db2.gz JITQVUCTHFVZQW-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN Cc1ccc(C)c(C(=O)N2CCCC[C@H](C)C2)c1 ZINC000184368677 134362918 /nfs/dbraw/zinc/36/29/18/134362918.db2.gz GKUIWJXVKIXUFT-ZDUSSCGKSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1ccc(C)c(C(=O)N2CCCC[C@@H](C)C2)c1 ZINC000184368695 134362684 /nfs/dbraw/zinc/36/26/84/134362684.db2.gz GKUIWJXVKIXUFT-CYBMUJFWSA-N 0 0 245.366 3.566 20 0 BHADRN CCc1ccc(C(=O)N2CCCC[C@H](C)C2)cc1 ZINC000184368725 134362885 /nfs/dbraw/zinc/36/28/85/134362885.db2.gz NXANGFHLEDGRDU-ZDUSSCGKSA-N 0 0 245.366 3.511 20 0 BHADRN CCc1ccc(C(=O)N2CCCC[C@@H](C)C2)cc1 ZINC000184368747 134362847 /nfs/dbraw/zinc/36/28/47/134362847.db2.gz NXANGFHLEDGRDU-CYBMUJFWSA-N 0 0 245.366 3.511 20 0 BHADRN Cc1ccc(C(=O)N2CCCC[C@H](C)C2)c(C)c1 ZINC000184382493 134362904 /nfs/dbraw/zinc/36/29/04/134362904.db2.gz MSVZNYOHPXRHQL-ZDUSSCGKSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1ccc(C(=O)N2CCCC[C@@H](C)C2)c(C)c1 ZINC000184382514 134362731 /nfs/dbraw/zinc/36/27/31/134362731.db2.gz MSVZNYOHPXRHQL-CYBMUJFWSA-N 0 0 245.366 3.566 20 0 BHADRN CC(C)C[C@H](C)CC(=O)N1CCCC[C@@H](C)C1 ZINC000184390996 388577069 /nfs/dbraw/zinc/57/70/69/388577069.db2.gz STECCVACTMUQKW-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)C[C@H](C)CC(=O)N1CCCC[C@H](C)C1 ZINC000184391018 388576780 /nfs/dbraw/zinc/57/67/80/388576780.db2.gz STECCVACTMUQKW-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N1CCCC[C@@H](C)C1 ZINC000184391037 388576710 /nfs/dbraw/zinc/57/67/10/388576710.db2.gz STECCVACTMUQKW-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N1CCCC[C@H](C)C1 ZINC000184391057 256844619 /nfs/dbraw/zinc/84/46/19/256844619.db2.gz STECCVACTMUQKW-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H]1CCCCN(C(=O)CCCC(C)(C)C)C1 ZINC000184391180 388576809 /nfs/dbraw/zinc/57/68/09/388576809.db2.gz NPDPKESFQCYUNS-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@H]1CCCCN(C(=O)CCCC(C)(C)C)C1 ZINC000184391198 388577424 /nfs/dbraw/zinc/57/74/24/388577424.db2.gz NPDPKESFQCYUNS-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1CCCC[C@@H](C)C1 ZINC000184393199 388576690 /nfs/dbraw/zinc/57/66/90/388576690.db2.gz LNJLLOAHMDSWHZ-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1CCCC[C@H](C)C1 ZINC000184393223 388577133 /nfs/dbraw/zinc/57/71/33/388577133.db2.gz LNJLLOAHMDSWHZ-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN Cc1cc(C)cc(C(=O)N2CCCC[C@H](C)C2)c1 ZINC000184412485 134360901 /nfs/dbraw/zinc/36/09/01/134360901.db2.gz KMTYBKWQRUCQHV-LBPRGKRZSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1cc(C)cc(C(=O)N2CCCC[C@@H](C)C2)c1 ZINC000184412508 134360897 /nfs/dbraw/zinc/36/08/97/134360897.db2.gz KMTYBKWQRUCQHV-GFCCVEGCSA-N 0 0 245.366 3.566 20 0 BHADRN CC/C=C/CCOc1ccc(OC)cc1C(C)=O ZINC000184415729 256845673 /nfs/dbraw/zinc/84/56/73/256845673.db2.gz VFHZZHWPXBZWDZ-AATRIKPKSA-N 0 0 248.322 3.633 20 0 BHADRN CC/C=C/CCOc1ccc(CCC(C)=O)cc1 ZINC000184415992 256845267 /nfs/dbraw/zinc/84/52/67/256845267.db2.gz PGKSJAMWQZVMFM-SNAWJCMRSA-N 0 0 246.350 3.943 20 0 BHADRN CC/C=C/CCOc1cccc(C(C)=O)c1 ZINC000184418666 388577301 /nfs/dbraw/zinc/57/73/01/388577301.db2.gz SRXRQMVWKOQTQF-SNAWJCMRSA-N 0 0 218.296 3.624 20 0 BHADRN CC/C=C/CCn1cnc2cc(F)c(F)cc21 ZINC000184423092 388578084 /nfs/dbraw/zinc/57/80/84/388578084.db2.gz AGFCZTWDPXDINX-ONEGZZNKSA-N 0 0 236.265 3.671 20 0 BHADRN CC/C=C/CCOc1ccc(NC(=O)OC)cc1 ZINC000184425577 643212379 /nfs/dbraw/zinc/21/23/79/643212379.db2.gz QHFICYIYRZXYFN-SNAWJCMRSA-N 0 0 249.310 3.600 20 0 BHADRN CCC1(C(=O)N2CCCC[C@H](C)C2)CCCC1 ZINC000184425718 256845818 /nfs/dbraw/zinc/84/58/18/256845818.db2.gz AMVWQTBXUWMGSA-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CCC1(C(=O)N2CCCC[C@@H](C)C2)CCCC1 ZINC000184425741 256845230 /nfs/dbraw/zinc/84/52/30/256845230.db2.gz AMVWQTBXUWMGSA-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1cccc(C(=O)N2CCCC[C@H](C)C2)c1C ZINC000184428984 134361173 /nfs/dbraw/zinc/36/11/73/134361173.db2.gz MTVOOAUJHDMWAQ-LBPRGKRZSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1cccc(C(=O)N2CCCC[C@@H](C)C2)c1C ZINC000184429003 134360990 /nfs/dbraw/zinc/36/09/90/134360990.db2.gz MTVOOAUJHDMWAQ-GFCCVEGCSA-N 0 0 245.366 3.566 20 0 BHADRN C[C@@H]1CCCCN(C(=O)CC2CCCCC2)C1 ZINC000184429363 256845565 /nfs/dbraw/zinc/84/55/65/256845565.db2.gz BMGUTYFTGCGZRP-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@H]1CCCCN(C(=O)CC2CCCCC2)C1 ZINC000184429383 388578568 /nfs/dbraw/zinc/57/85/68/388578568.db2.gz BMGUTYFTGCGZRP-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN COc1ccccc1N[C@H](C)c1cncc(C)c1 ZINC000184432568 256845249 /nfs/dbraw/zinc/84/52/49/256845249.db2.gz QFSOSOABJLEURI-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccccc1N[C@@H](C)c1cncc(C)c1 ZINC000184432588 388578007 /nfs/dbraw/zinc/57/80/07/388578007.db2.gz QFSOSOABJLEURI-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cncc(C)c2)c1 ZINC000184433581 179153685 /nfs/dbraw/zinc/15/36/85/179153685.db2.gz DAXDHBMMXITPAC-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1cccc(N[C@H](C)c2cncc(C)c2)c1 ZINC000184433599 179157920 /nfs/dbraw/zinc/15/79/20/179157920.db2.gz DAXDHBMMXITPAC-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN COc1cccc(N[C@H](C)c2cncc(C)c2)c1 ZINC000184433618 175279943 /nfs/dbraw/zinc/27/99/43/175279943.db2.gz KYSIMPVJAVRGOM-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1cccc(N[C@@H](C)c2cncc(C)c2)c1 ZINC000184433633 175280263 /nfs/dbraw/zinc/28/02/63/175280263.db2.gz KYSIMPVJAVRGOM-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1cncc([C@@H](C)Nc2ccc(F)cc2)c1 ZINC000184433657 367077665 /nfs/dbraw/zinc/07/76/65/367077665.db2.gz RNWJJTIMRLWDOS-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cncc([C@H](C)Nc2ccc(F)cc2)c1 ZINC000184433673 367077658 /nfs/dbraw/zinc/07/76/58/367077658.db2.gz RNWJJTIMRLWDOS-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cncc(C)c2)cc1 ZINC000184433697 384605520 /nfs/dbraw/zinc/60/55/20/384605520.db2.gz SNFSESZKKOSALF-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(N[C@H](C)c2cncc(C)c2)cc1 ZINC000184433714 384603756 /nfs/dbraw/zinc/60/37/56/384603756.db2.gz SNFSESZKKOSALF-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN COc1ccc(N[C@H](C)c2cncc(C)c2)cc1 ZINC000184433737 175155303 /nfs/dbraw/zinc/15/53/03/175155303.db2.gz HHWGQZIILFPXNX-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@@H](C)c2cncc(C)c2)cc1 ZINC000184433750 175154256 /nfs/dbraw/zinc/15/42/56/175154256.db2.gz HHWGQZIILFPXNX-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1cncc([C@@H](C)Nc2cccc(F)c2)c1 ZINC000184433799 367077655 /nfs/dbraw/zinc/07/76/55/367077655.db2.gz PGFYMQICPRKEGI-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cncc([C@H](C)Nc2cccc(F)c2)c1 ZINC000184433816 367077656 /nfs/dbraw/zinc/07/76/56/367077656.db2.gz PGFYMQICPRKEGI-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN CC/C=C/CCOc1cccc(NC(=O)OC)c1 ZINC000184435861 643212186 /nfs/dbraw/zinc/21/21/86/643212186.db2.gz FRBDLOOIMROREZ-SNAWJCMRSA-N 0 0 249.310 3.600 20 0 BHADRN CC/C=C/CCOc1ccccc1NC(=O)OC ZINC000184436686 643211359 /nfs/dbraw/zinc/21/13/59/643211359.db2.gz DFBFPKSPDOQCMG-SNAWJCMRSA-N 0 0 249.310 3.600 20 0 BHADRN CCCCC(=O)Nc1cc(Cl)nc(Cl)c1 ZINC000184438255 643212017 /nfs/dbraw/zinc/21/20/17/643212017.db2.gz ZHRIXUCDXUCBTN-UHFFFAOYSA-N 0 0 247.125 3.517 20 0 BHADRN CC/C=C/CCOc1c(F)cc(C=O)cc1F ZINC000184438261 643211196 /nfs/dbraw/zinc/21/11/96/643211196.db2.gz TVRQSYDYHHDUNY-ONEGZZNKSA-N 0 0 240.249 3.512 20 0 BHADRN Cc1ccc(CNc2ccc(F)c(C)c2)c(C)n1 ZINC000184440361 134360969 /nfs/dbraw/zinc/36/09/69/134360969.db2.gz FFXKZGBZJITDFE-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN CC/C=C/CCOc1ccc(C(C)(C)O)cc1 ZINC000184442669 643211745 /nfs/dbraw/zinc/21/17/45/643211745.db2.gz PCZGSGAOKWCWQF-AATRIKPKSA-N 0 0 234.339 3.649 20 0 BHADRN CC/C=C/CCOc1ccc(OC)c(C(C)=O)c1 ZINC000184444337 388578040 /nfs/dbraw/zinc/57/80/40/388578040.db2.gz UUZWACWLNSRNAG-AATRIKPKSA-N 0 0 248.322 3.633 20 0 BHADRN CCCCCCC(=O)N1CCCC[C@H](C)C1 ZINC000184444562 643211065 /nfs/dbraw/zinc/21/10/65/643211065.db2.gz HMNZQOCWUJUOJN-ZDUSSCGKSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCCCC(=O)N1CCCC[C@@H](C)C1 ZINC000184444579 643212033 /nfs/dbraw/zinc/21/20/33/643212033.db2.gz HMNZQOCWUJUOJN-CYBMUJFWSA-N 0 0 225.376 3.605 20 0 BHADRN Cc1cncc([C@@H](C)Nc2ccc(F)c(F)c2)c1 ZINC000184453600 388578243 /nfs/dbraw/zinc/57/82/43/388578243.db2.gz DHQUUIZVRBHMIP-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cncc([C@H](C)Nc2ccc(F)c(F)c2)c1 ZINC000184453620 388578002 /nfs/dbraw/zinc/57/80/02/388578002.db2.gz DHQUUIZVRBHMIP-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN C[C@@H]1CCCCN(C(=O)CCC2CCCC2)C1 ZINC000184454473 256845763 /nfs/dbraw/zinc/84/57/63/256845763.db2.gz PCAAKOVHQOSWAW-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@H]1CCCCN(C(=O)CCC2CCCC2)C1 ZINC000184454492 388578122 /nfs/dbraw/zinc/57/81/22/388578122.db2.gz 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247.338 3.626 20 0 BHADRN COc1ccccc1NC(=O)/C(C)=C/C(C)(C)C ZINC000184798883 384649183 /nfs/dbraw/zinc/64/91/83/384649183.db2.gz ULEPUPCUJDNTFR-ZHACJKMWSA-N 0 0 247.338 3.626 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)c1C ZINC000184799371 179138995 /nfs/dbraw/zinc/13/89/95/179138995.db2.gz YLUHTPQLBZJWRN-CHWSQXEVSA-N 0 0 231.339 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2C[C@@H]2C(C)C)c1C ZINC000184799390 179141113 /nfs/dbraw/zinc/14/11/13/179141113.db2.gz YLUHTPQLBZJWRN-OLZOCXBDSA-N 0 0 231.339 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@H]2C(C)C)c1C ZINC000184799410 179138446 /nfs/dbraw/zinc/13/84/46/179138446.db2.gz YLUHTPQLBZJWRN-QWHCGFSZSA-N 0 0 231.339 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2C[C@H]2C(C)C)c1C ZINC000184799428 179141326 /nfs/dbraw/zinc/14/13/26/179141326.db2.gz YLUHTPQLBZJWRN-STQMWFEESA-N 0 0 231.339 3.534 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)c(C)c1 ZINC000184800061 388583322 /nfs/dbraw/zinc/58/33/22/388583322.db2.gz BROHDGZRCHKTCN-CHWSQXEVSA-N 0 0 231.339 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3.848 20 0 BHADRN C=C(C)C[C@H](C)C(=O)Oc1ccc(C)cc1 ZINC000184865659 643245921 /nfs/dbraw/zinc/24/59/21/643245921.db2.gz HBUFUNOGUUKYEV-LBPRGKRZSA-N 0 0 218.296 3.503 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)Oc1ccc(C)cc1 ZINC000184865677 643244289 /nfs/dbraw/zinc/24/42/89/643244289.db2.gz HBUFUNOGUUKYEV-GFCCVEGCSA-N 0 0 218.296 3.503 20 0 BHADRN C=C(C)C[C@H](C)C(=O)Oc1cccc(C)c1 ZINC000184865757 643245406 /nfs/dbraw/zinc/24/54/06/643245406.db2.gz HWNUVTVOBFBEIK-LBPRGKRZSA-N 0 0 218.296 3.503 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)Oc1cccc(C)c1 ZINC000184865774 643245236 /nfs/dbraw/zinc/24/52/36/643245236.db2.gz HWNUVTVOBFBEIK-GFCCVEGCSA-N 0 0 218.296 3.503 20 0 BHADRN C=C(C)C[C@H](C)C(=O)Oc1ccccc1C ZINC000184866574 643244514 /nfs/dbraw/zinc/24/45/14/643244514.db2.gz BYDNETDROBIUGZ-LBPRGKRZSA-N 0 0 218.296 3.503 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)Oc1ccccc1C ZINC000184866591 643247145 /nfs/dbraw/zinc/24/71/45/643247145.db2.gz BYDNETDROBIUGZ-GFCCVEGCSA-N 0 0 218.296 3.503 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCc1cccc(C)c1 ZINC000184877071 643245353 /nfs/dbraw/zinc/24/53/53/643245353.db2.gz NVUYLRPNMOYTJQ-JLHYYAGUSA-N 0 0 245.366 3.604 20 0 BHADRN C=C(C)C[C@H](C)C(=O)NC1CCCCCCC1 ZINC000184882598 643245809 /nfs/dbraw/zinc/24/58/09/643245809.db2.gz VWEGAVVAHKTUKZ-ZDUSSCGKSA-N 0 0 237.387 3.818 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000184882613 643245118 /nfs/dbraw/zinc/24/51/18/643245118.db2.gz VWEGAVVAHKTUKZ-CYBMUJFWSA-N 0 0 237.387 3.818 20 0 BHADRN CCC(CC)NC(=O)c1c(C)oc2ccccc21 ZINC000184883744 535077026 /nfs/dbraw/zinc/07/70/26/535077026.db2.gz LXMORHZRCFHIBR-UHFFFAOYSA-N 0 0 245.322 3.660 20 0 BHADRN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCCCC ZINC000184884644 643246950 /nfs/dbraw/zinc/24/69/50/643246950.db2.gz AGNHPRLJFVTFRC-QWHCGFSZSA-N 0 0 225.376 3.674 20 0 BHADRN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCCCC ZINC000184884665 643246683 /nfs/dbraw/zinc/24/66/83/643246683.db2.gz AGNHPRLJFVTFRC-STQMWFEESA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)C[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000184884676 367106274 /nfs/dbraw/zinc/10/62/74/367106274.db2.gz CLMLXJNIGMHBBT-GFCCVEGCSA-N 0 0 244.338 3.810 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCCCC ZINC000184884680 643248344 /nfs/dbraw/zinc/24/83/44/643248344.db2.gz AGNHPRLJFVTFRC-CHWSQXEVSA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)C[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000184884696 367106185 /nfs/dbraw/zinc/10/61/85/367106185.db2.gz CLMLXJNIGMHBBT-LBPRGKRZSA-N 0 0 244.338 3.810 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCCCC ZINC000184884700 643248184 /nfs/dbraw/zinc/24/81/84/643248184.db2.gz AGNHPRLJFVTFRC-OLZOCXBDSA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)C[C@@H](C)c1nc(C2CCCC2)no1 ZINC000184884953 367106467 /nfs/dbraw/zinc/10/64/67/367106467.db2.gz VNIDNRGEBZMZNR-SNVBAGLBSA-N 0 0 222.332 3.877 20 0 BHADRN CC(C)C[C@H](C)c1nc(C2CCCC2)no1 ZINC000184884971 367106439 /nfs/dbraw/zinc/10/64/39/367106439.db2.gz VNIDNRGEBZMZNR-JTQLQIEISA-N 0 0 222.332 3.877 20 0 BHADRN CSc1ccccc1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000184889248 259376566 /nfs/dbraw/zinc/37/65/66/259376566.db2.gz GFGRDMYKAASZFW-QWRGUYRKSA-N 0 0 249.379 3.639 20 0 BHADRN CSc1ccccc1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000184889271 388583913 /nfs/dbraw/zinc/58/39/13/388583913.db2.gz GFGRDMYKAASZFW-MNOVXSKESA-N 0 0 249.379 3.639 20 0 BHADRN CSc1ccccc1NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000184889289 388584115 /nfs/dbraw/zinc/58/41/15/388584115.db2.gz GFGRDMYKAASZFW-WDEREUQCSA-N 0 0 249.379 3.639 20 0 BHADRN CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000184889307 256850146 /nfs/dbraw/zinc/85/01/46/256850146.db2.gz GFGRDMYKAASZFW-GHMZBOCLSA-N 0 0 249.379 3.639 20 0 BHADRN CCC(C)(C)NC(=O)c1c(C)oc2ccccc21 ZINC000184891375 347183530 /nfs/dbraw/zinc/18/35/30/347183530.db2.gz RUNBREPXOOTMOF-UHFFFAOYSA-N 0 0 245.322 3.660 20 0 BHADRN C=C(C)C[C@H](C)C(=O)Oc1ccccc1OCC ZINC000184898814 643250223 /nfs/dbraw/zinc/25/02/23/643250223.db2.gz ZGGPWZZSDZHDEG-LBPRGKRZSA-N 0 0 248.322 3.593 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)Oc1ccccc1OCC ZINC000184898827 643249676 /nfs/dbraw/zinc/24/96/76/643249676.db2.gz ZGGPWZZSDZHDEG-GFCCVEGCSA-N 0 0 248.322 3.593 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Nc1ccc(C)cc1O ZINC000184898860 643250645 /nfs/dbraw/zinc/25/06/45/643250645.db2.gz QWMDWTRXIOBHSE-PKNBQFBNSA-N 0 0 247.338 3.632 20 0 BHADRN CSc1ccc(NC(=O)[C@H]2C[C@H]2C(C)C)cc1 ZINC000184899812 388583894 /nfs/dbraw/zinc/58/38/94/388583894.db2.gz ZZCXUCVWJBSJNI-STQMWFEESA-N 0 0 249.379 3.639 20 0 BHADRN CSc1ccc(NC(=O)[C@H]2C[C@@H]2C(C)C)cc1 ZINC000184899822 388584148 /nfs/dbraw/zinc/58/41/48/388584148.db2.gz ZZCXUCVWJBSJNI-OLZOCXBDSA-N 0 0 249.379 3.639 20 0 BHADRN CSc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)cc1 ZINC000184899841 388583882 /nfs/dbraw/zinc/58/38/82/388583882.db2.gz ZZCXUCVWJBSJNI-QWHCGFSZSA-N 0 0 249.379 3.639 20 0 BHADRN CSc1ccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)cc1 ZINC000184899855 256849521 /nfs/dbraw/zinc/84/95/21/256849521.db2.gz ZZCXUCVWJBSJNI-CHWSQXEVSA-N 0 0 249.379 3.639 20 0 BHADRN CSc1cccc(NC(=O)[C@H]2C[C@H]2C(C)C)c1 ZINC000184906905 388583852 /nfs/dbraw/zinc/58/38/52/388583852.db2.gz KDPYJCGKNPPJNA-STQMWFEESA-N 0 0 249.379 3.639 20 0 BHADRN CSc1cccc(NC(=O)[C@H]2C[C@@H]2C(C)C)c1 ZINC000184906924 388584127 /nfs/dbraw/zinc/58/41/27/388584127.db2.gz KDPYJCGKNPPJNA-OLZOCXBDSA-N 0 0 249.379 3.639 20 0 BHADRN CSc1cccc(NC(=O)[C@@H]2C[C@H]2C(C)C)c1 ZINC000184906948 388583452 /nfs/dbraw/zinc/58/34/52/388583452.db2.gz KDPYJCGKNPPJNA-QWHCGFSZSA-N 0 0 249.379 3.639 20 0 BHADRN CSc1cccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)c1 ZINC000184906966 388583968 /nfs/dbraw/zinc/58/39/68/388583968.db2.gz KDPYJCGKNPPJNA-CHWSQXEVSA-N 0 0 249.379 3.639 20 0 BHADRN C=C(C)C[C@H](C)C(=O)Oc1ccc(OCC)cc1 ZINC000184920694 643249848 /nfs/dbraw/zinc/24/98/48/643249848.db2.gz SVDPZIBKNLNPGM-LBPRGKRZSA-N 0 0 248.322 3.593 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)Oc1ccc(OCC)cc1 ZINC000184920711 643250389 /nfs/dbraw/zinc/25/03/89/643250389.db2.gz SVDPZIBKNLNPGM-GFCCVEGCSA-N 0 0 248.322 3.593 20 0 BHADRN CC[C@@H](C)N(C(=O)C=C1CCC1)[C@@H](C)CC ZINC000184940619 643253632 /nfs/dbraw/zinc/25/36/32/643253632.db2.gz CWGYFEGTXUQYQB-TXEJJXNPSA-N 0 0 223.360 3.522 20 0 BHADRN CC[C@H](C)N(C(=O)C=C1CCC1)[C@@H](C)CC ZINC000184940636 643252687 /nfs/dbraw/zinc/25/26/87/643252687.db2.gz CWGYFEGTXUQYQB-RYUDHWBXSA-N 0 0 223.360 3.522 20 0 BHADRN CC[C@@H](C)N(C(=O)C=C1CCC1)[C@H](C)CC ZINC000184940650 643252359 /nfs/dbraw/zinc/25/23/59/643252359.db2.gz CWGYFEGTXUQYQB-VXGBXAGGSA-N 0 0 223.360 3.522 20 0 BHADRN CC/C=C(\C)C(=O)N([C@H](C)CC)[C@@H](C)CC ZINC000184944135 643251477 /nfs/dbraw/zinc/25/14/77/643251477.db2.gz PIBNUDJHWCXTJD-CJDUFDDJSA-N 0 0 225.376 3.768 20 0 BHADRN CC/C=C(\C)C(=O)N([C@H](C)CC)[C@H](C)CC ZINC000184944150 643252884 /nfs/dbraw/zinc/25/28/84/643252884.db2.gz PIBNUDJHWCXTJD-HRFIDBLHSA-N 0 0 225.376 3.768 20 0 BHADRN CC[C@@H](C)N(C(=O)C1=CCCC1)[C@@H](C)CC ZINC000184948982 256849910 /nfs/dbraw/zinc/84/99/10/256849910.db2.gz FHTFVMGDCBUJKR-TXEJJXNPSA-N 0 0 223.360 3.522 20 0 BHADRN CC[C@H](C)N(C(=O)C1=CCCC1)[C@@H](C)CC ZINC000184948998 388583597 /nfs/dbraw/zinc/58/35/97/388583597.db2.gz FHTFVMGDCBUJKR-RYUDHWBXSA-N 0 0 223.360 3.522 20 0 BHADRN CC[C@@H](C)N(C(=O)C1=CCCC1)[C@H](C)CC ZINC000184949022 388583946 /nfs/dbraw/zinc/58/39/46/388583946.db2.gz FHTFVMGDCBUJKR-VXGBXAGGSA-N 0 0 223.360 3.522 20 0 BHADRN C=C(C)C[C@H](C)C(=O)Oc1ccc(C)cc1OC ZINC000184951782 632656918 /nfs/dbraw/zinc/65/69/18/632656918.db2.gz XORQJPFDUMLNDA-LBPRGKRZSA-N 0 0 248.322 3.511 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)Oc1ccc(C)cc1OC ZINC000184951803 643251566 /nfs/dbraw/zinc/25/15/66/643251566.db2.gz XORQJPFDUMLNDA-GFCCVEGCSA-N 0 0 248.322 3.511 20 0 BHADRN CC[C@@H](C)N(C(=O)C[C@@H](C)SC)[C@@H](C)CC ZINC000184953316 388583550 /nfs/dbraw/zinc/58/35/50/388583550.db2.gz YICNCYLTUMLWAV-GRYCIOLGSA-N 0 0 245.432 3.554 20 0 BHADRN CC[C@H](C)N(C(=O)C[C@@H](C)SC)[C@@H](C)CC ZINC000184953336 388584111 /nfs/dbraw/zinc/58/41/11/388584111.db2.gz YICNCYLTUMLWAV-SDDRHHMPSA-N 0 0 245.432 3.554 20 0 BHADRN C[C@H](OC(=O)C[C@H]1CCC[C@H]1C)c1cccnc1 ZINC000184959204 643253473 /nfs/dbraw/zinc/25/34/73/643253473.db2.gz LOJRMAVNJFUVBX-FRRDWIJNSA-N 0 0 247.338 3.512 20 0 BHADRN C[C@H](OC(=O)C[C@H]1CCC[C@@H]1C)c1cccnc1 ZINC000184959223 643252001 /nfs/dbraw/zinc/25/20/01/643252001.db2.gz LOJRMAVNJFUVBX-RWMBFGLXSA-N 0 0 247.338 3.512 20 0 BHADRN C[C@H](OC(=O)C[C@@H]1CCC[C@H]1C)c1cccnc1 ZINC000184959241 643253529 /nfs/dbraw/zinc/25/35/29/643253529.db2.gz LOJRMAVNJFUVBX-AGIUHOORSA-N 0 0 247.338 3.512 20 0 BHADRN C[C@H](OC(=O)C[C@@H]1CCC[C@@H]1C)c1cccnc1 ZINC000184959260 643253332 /nfs/dbraw/zinc/25/33/32/643253332.db2.gz LOJRMAVNJFUVBX-AVGNSLFASA-N 0 0 247.338 3.512 20 0 BHADRN Cc1cc2occ(C(=O)N(C)C(C)C)c2cc1C ZINC000184959570 178307711 /nfs/dbraw/zinc/30/77/11/178307711.db2.gz CXFIAFVBLLKVNM-UHFFFAOYSA-N 0 0 245.322 3.530 20 0 BHADRN CCC(C)(CC)C(=O)NCCC1CCCC1 ZINC000184974970 538969510 /nfs/dbraw/zinc/96/95/10/538969510.db2.gz XESCJXANUDAIMW-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000184985446 388583772 /nfs/dbraw/zinc/58/37/72/388583772.db2.gz WNUMANRPUCZQFB-ZDUSSCGKSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@H](C)CC(C)C)c1 ZINC000184985460 388583790 /nfs/dbraw/zinc/58/37/90/388583790.db2.gz WNUMANRPUCZQFB-CYBMUJFWSA-N 0 0 233.355 3.924 20 0 BHADRN CC(=O)c1ccc(NC(=O)[C@H](C)CC(C)C)cc1 ZINC000184985793 188170433 /nfs/dbraw/zinc/17/04/33/188170433.db2.gz WBOAJDQZMFBDCV-LLVKDONJSA-N 0 0 247.338 3.510 20 0 BHADRN CC(=O)c1ccc(NC(=O)[C@@H](C)CC(C)C)cc1 ZINC000184985805 384669750 /nfs/dbraw/zinc/66/97/50/384669750.db2.gz WBOAJDQZMFBDCV-NSHDSACASA-N 0 0 247.338 3.510 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000184986213 388584071 /nfs/dbraw/zinc/58/40/71/388584071.db2.gz ZSCGONIHIFAUEN-OLZOCXBDSA-N 0 0 233.355 3.546 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000184986229 388584021 /nfs/dbraw/zinc/58/40/21/388584021.db2.gz ZSCGONIHIFAUEN-STQMWFEESA-N 0 0 233.355 3.546 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000184986244 388583667 /nfs/dbraw/zinc/58/36/67/388583667.db2.gz ZSCGONIHIFAUEN-CHWSQXEVSA-N 0 0 233.355 3.546 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000184986261 256850671 /nfs/dbraw/zinc/85/06/71/256850671.db2.gz ZSCGONIHIFAUEN-QWHCGFSZSA-N 0 0 233.355 3.546 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000184987583 388583655 /nfs/dbraw/zinc/58/36/55/388583655.db2.gz UKTTWRSEZVMQGP-LBPRGKRZSA-N 0 0 219.328 3.616 20 0 BHADRN Cc1cccc(NC(=O)[C@H](C)CC(C)C)c1 ZINC000184987604 388585100 /nfs/dbraw/zinc/58/51/00/388585100.db2.gz UKTTWRSEZVMQGP-GFCCVEGCSA-N 0 0 219.328 3.616 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H](C)CC(C)C ZINC000184987678 179302308 /nfs/dbraw/zinc/30/23/08/179302308.db2.gz TUSYENUKWAYIIQ-LBPRGKRZSA-N 0 0 219.328 3.616 20 0 BHADRN Cc1ccccc1NC(=O)[C@H](C)CC(C)C ZINC000184987699 179301618 /nfs/dbraw/zinc/30/16/18/179301618.db2.gz TUSYENUKWAYIIQ-GFCCVEGCSA-N 0 0 219.328 3.616 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](C)CC(C)C)c1C ZINC000184987946 256850622 /nfs/dbraw/zinc/85/06/22/256850622.db2.gz ZIKGINXAXPGUAZ-LBPRGKRZSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1cccc(NC(=O)[C@H](C)CC(C)C)c1C ZINC000184987969 256611606 /nfs/dbraw/zinc/61/16/06/256611606.db2.gz ZIKGINXAXPGUAZ-GFCCVEGCSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)CC(C)C)c(C)c1 ZINC000184987994 388584951 /nfs/dbraw/zinc/58/49/51/388584951.db2.gz PUGGVTWDKDHXGF-ZDUSSCGKSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)CC(C)C)c(C)c1 ZINC000184988016 256850858 /nfs/dbraw/zinc/85/08/58/256850858.db2.gz PUGGVTWDKDHXGF-CYBMUJFWSA-N 0 0 233.355 3.924 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000184988173 388584654 /nfs/dbraw/zinc/58/46/54/388584654.db2.gz ASVGVPIMXNMIRT-SNVBAGLBSA-N 0 0 239.746 3.961 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1ccccc1Cl ZINC000184988193 388585102 /nfs/dbraw/zinc/58/51/02/388585102.db2.gz ASVGVPIMXNMIRT-JTQLQIEISA-N 0 0 239.746 3.961 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000184995023 384669975 /nfs/dbraw/zinc/66/99/75/384669975.db2.gz HVJNLPYNMSSALO-SECBINFHSA-N 0 0 241.281 3.586 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000184995044 188169965 /nfs/dbraw/zinc/16/99/65/188169965.db2.gz HVJNLPYNMSSALO-VIFPVBQESA-N 0 0 241.281 3.586 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000184995112 188170203 /nfs/dbraw/zinc/17/02/03/188170203.db2.gz VJVWUESCGMCZTJ-SECBINFHSA-N 0 0 241.281 3.586 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000184995124 188528805 /nfs/dbraw/zinc/52/88/05/188528805.db2.gz VJVWUESCGMCZTJ-VIFPVBQESA-N 0 0 241.281 3.586 20 0 BHADRN CC(=O)c1cccc(NC(=O)[C@H](C)CC(C)C)c1 ZINC000184995399 166476134 /nfs/dbraw/zinc/47/61/34/166476134.db2.gz DFGBTDCYZCKPKB-LLVKDONJSA-N 0 0 247.338 3.510 20 0 BHADRN CC(=O)c1cccc(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000184995418 166476262 /nfs/dbraw/zinc/47/62/62/166476262.db2.gz DFGBTDCYZCKPKB-NSHDSACASA-N 0 0 247.338 3.510 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000184995993 384669001 /nfs/dbraw/zinc/66/90/01/384669001.db2.gz LVUUWWPJFKLUSW-SECBINFHSA-N 0 0 241.281 3.586 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000184996012 188346910 /nfs/dbraw/zinc/34/69/10/188346910.db2.gz LVUUWWPJFKLUSW-VIFPVBQESA-N 0 0 241.281 3.586 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@@H](C)CC(C)C ZINC000184996804 256850349 /nfs/dbraw/zinc/85/03/49/256850349.db2.gz ZOZFJKSNVGYSMN-NSHDSACASA-N 0 0 237.318 3.755 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@H](C)CC(C)C ZINC000184996819 256850502 /nfs/dbraw/zinc/85/05/02/256850502.db2.gz ZOZFJKSNVGYSMN-LLVKDONJSA-N 0 0 237.318 3.755 20 0 BHADRN COc1ccc(C)cc1NC(=O)[C@@H](C)CC(C)C ZINC000184997188 175077899 /nfs/dbraw/zinc/07/78/99/175077899.db2.gz ZOHVKQHRFBZSDV-LBPRGKRZSA-N 0 0 249.354 3.624 20 0 BHADRN COc1ccc(C)cc1NC(=O)[C@H](C)CC(C)C ZINC000184997206 175077973 /nfs/dbraw/zinc/07/79/73/175077973.db2.gz ZOHVKQHRFBZSDV-GFCCVEGCSA-N 0 0 249.354 3.624 20 0 BHADRN CCN(Cc1ccccc1)C(=O)[C@@H](C)CC(C)C ZINC000184997775 388584532 /nfs/dbraw/zinc/58/45/32/388584532.db2.gz MSFSJWVAPQIVSY-AWEZNQCLSA-N 0 0 247.382 3.717 20 0 BHADRN CCN(Cc1ccccc1)C(=O)[C@H](C)CC(C)C ZINC000184997795 388584910 /nfs/dbraw/zinc/58/49/10/388584910.db2.gz MSFSJWVAPQIVSY-CQSZACIVSA-N 0 0 247.382 3.717 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NC1CCCCCC1 ZINC000184998954 388584925 /nfs/dbraw/zinc/58/49/25/388584925.db2.gz MUHHIFYMLFAMAW-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC1CCCCCC1 ZINC000184998971 388584922 /nfs/dbraw/zinc/58/49/22/388584922.db2.gz MUHHIFYMLFAMAW-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000185000413 388584477 /nfs/dbraw/zinc/58/44/77/388584477.db2.gz MDICOXMENJHGDM-CYBMUJFWSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)C[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000185000430 388584487 /nfs/dbraw/zinc/58/44/87/388584487.db2.gz MDICOXMENJHGDM-ZDUSSCGKSA-N 0 0 237.387 3.675 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)CC(C)C)c(F)c1 ZINC000185001281 388584737 /nfs/dbraw/zinc/58/47/37/388584737.db2.gz QVWOUFGUYPDGDK-NSHDSACASA-N 0 0 237.318 3.755 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)CC(C)C)c(F)c1 ZINC000185001300 388584844 /nfs/dbraw/zinc/58/48/44/388584844.db2.gz QVWOUFGUYPDGDK-LLVKDONJSA-N 0 0 237.318 3.755 20 0 BHADRN CCOc1ccccc1NC(=O)[C@@H](C)CC(C)C ZINC000185003043 170595060 /nfs/dbraw/zinc/59/50/60/170595060.db2.gz JJHZNCKCVPGNSH-LBPRGKRZSA-N 0 0 249.354 3.706 20 0 BHADRN CCOc1ccccc1NC(=O)[C@H](C)CC(C)C ZINC000185003060 170594844 /nfs/dbraw/zinc/59/48/44/170594844.db2.gz JJHZNCKCVPGNSH-GFCCVEGCSA-N 0 0 249.354 3.706 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000185005406 256850856 /nfs/dbraw/zinc/85/08/56/256850856.db2.gz SYFWWIFILQDBQS-NSHDSACASA-N 0 0 237.318 3.755 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@H](C)CC(C)C)c1 ZINC000185005422 388584732 /nfs/dbraw/zinc/58/47/32/388584732.db2.gz SYFWWIFILQDBQS-LLVKDONJSA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H](C)CC(C)C ZINC000185005872 179042524 /nfs/dbraw/zinc/04/25/24/179042524.db2.gz YWUSXBDQALYGNT-ZDUSSCGKSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H](C)CC(C)C ZINC000185005883 179042549 /nfs/dbraw/zinc/04/25/49/179042549.db2.gz YWUSXBDQALYGNT-CYBMUJFWSA-N 0 0 233.355 3.924 20 0 BHADRN CC(=O)c1ccccc1NC(=O)[C@H](C)CC(C)C ZINC000185007830 166481661 /nfs/dbraw/zinc/48/16/61/166481661.db2.gz OXGHEHMQNXISRL-LLVKDONJSA-N 0 0 247.338 3.510 20 0 BHADRN CC(=O)c1ccccc1NC(=O)[C@@H](C)CC(C)C ZINC000185007848 487938349 /nfs/dbraw/zinc/93/83/49/487938349.db2.gz OXGHEHMQNXISRL-NSHDSACASA-N 0 0 247.338 3.510 20 0 BHADRN CCc1cc(N[C@@H](C)c2cnccn2)ccc1C ZINC000185010839 385718268 /nfs/dbraw/zinc/71/82/68/385718268.db2.gz JQYRNFMUKXJZDJ-LBPRGKRZSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1cc(N[C@H](C)c2cnccn2)ccc1C ZINC000185010857 205707641 /nfs/dbraw/zinc/70/76/41/205707641.db2.gz JQYRNFMUKXJZDJ-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H](C)CC(C)C ZINC000185012922 388584681 /nfs/dbraw/zinc/58/46/81/388584681.db2.gz YJZQLOLOTUMESS-LBPRGKRZSA-N 0 0 233.355 3.870 20 0 BHADRN CCc1ccccc1NC(=O)[C@H](C)CC(C)C ZINC000185012940 388584890 /nfs/dbraw/zinc/58/48/90/388584890.db2.gz YJZQLOLOTUMESS-GFCCVEGCSA-N 0 0 233.355 3.870 20 0 BHADRN CC(=O)O[C@@H](C)c1sc2ccccc2c1C ZINC000185014201 643260163 /nfs/dbraw/zinc/26/01/63/643260163.db2.gz DTVKFTJTPXVRMM-VIFPVBQESA-N 0 0 234.320 3.834 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H](C)CC(C)C ZINC000185014279 256850324 /nfs/dbraw/zinc/85/03/24/256850324.db2.gz YSSIFTKMGZJDRW-NSHDSACASA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H](C)CC(C)C ZINC000185014294 388584464 /nfs/dbraw/zinc/58/44/64/388584464.db2.gz YSSIFTKMGZJDRW-LLVKDONJSA-N 0 0 237.318 3.755 20 0 BHADRN Cc1ccc(CN(C)C(=O)[C@@H](C)CC(C)C)cc1 ZINC000185017765 256850766 /nfs/dbraw/zinc/85/07/66/256850766.db2.gz ONWSILRKWUPLQE-AWEZNQCLSA-N 0 0 247.382 3.636 20 0 BHADRN Cc1ccc(CN(C)C(=O)[C@H](C)CC(C)C)cc1 ZINC000185017786 388584909 /nfs/dbraw/zinc/58/49/09/388584909.db2.gz ONWSILRKWUPLQE-CQSZACIVSA-N 0 0 247.382 3.636 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Oc1c(F)cccc1F ZINC000185026428 643259418 /nfs/dbraw/zinc/25/94/18/643259418.db2.gz XZPVCOJXIFYWPQ-SECBINFHSA-N 0 0 242.265 3.552 20 0 BHADRN CC(C)C[C@H](C)C(=O)Oc1c(F)cccc1F ZINC000185026444 643259542 /nfs/dbraw/zinc/25/95/42/643259542.db2.gz XZPVCOJXIFYWPQ-VIFPVBQESA-N 0 0 242.265 3.552 20 0 BHADRN CCN(C(=O)[C@@H](C)CC(C)C)c1ccccc1 ZINC000185041890 388584898 /nfs/dbraw/zinc/58/48/98/388584898.db2.gz CQRXTMRMEATMQD-ZDUSSCGKSA-N 0 0 233.355 3.722 20 0 BHADRN CCN(C(=O)[C@H](C)CC(C)C)c1ccccc1 ZINC000185041909 388584839 /nfs/dbraw/zinc/58/48/39/388584839.db2.gz CQRXTMRMEATMQD-CYBMUJFWSA-N 0 0 233.355 3.722 20 0 BHADRN CC/C=C/CCNc1ccc(C(C)=O)cc1 ZINC000185042107 385722741 /nfs/dbraw/zinc/72/27/41/385722741.db2.gz AJZGEFUTQUKAOA-SNAWJCMRSA-N 0 0 217.312 3.657 20 0 BHADRN CC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000185043267 643260204 /nfs/dbraw/zinc/26/02/04/643260204.db2.gz HUBOURZTUHYPSZ-UHFFFAOYSA-N 0 0 247.244 3.590 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000185043641 388584615 /nfs/dbraw/zinc/58/46/15/388584615.db2.gz JOTCUBUHKDPSDD-KGLIPLIRSA-N 0 0 247.382 3.888 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000185043656 388584444 /nfs/dbraw/zinc/58/44/44/388584444.db2.gz JOTCUBUHKDPSDD-KBPBESRZSA-N 0 0 247.382 3.888 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000185043675 388584939 /nfs/dbraw/zinc/58/49/39/388584939.db2.gz JOTCUBUHKDPSDD-ZIAGYGMSSA-N 0 0 247.382 3.888 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000185043691 256850337 /nfs/dbraw/zinc/85/03/37/256850337.db2.gz JOTCUBUHKDPSDD-UONOGXRCSA-N 0 0 247.382 3.888 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000185044160 643260337 /nfs/dbraw/zinc/26/03/37/643260337.db2.gz BSWYBCDCJQZYOC-IIANPFDCSA-N 0 0 249.398 3.768 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000185044182 643259502 /nfs/dbraw/zinc/25/95/02/643259502.db2.gz BSWYBCDCJQZYOC-HCRIHEDKSA-N 0 0 249.398 3.768 20 0 BHADRN CC/C=C/CCNc1cccc(C(C)=O)c1 ZINC000185044328 205707301 /nfs/dbraw/zinc/70/73/01/205707301.db2.gz VZUZPTICMIJSBU-SNAWJCMRSA-N 0 0 217.312 3.657 20 0 BHADRN CC/C=C/CCNc1cccc(NC(C)=O)c1C ZINC000185060835 388584976 /nfs/dbraw/zinc/58/49/76/388584976.db2.gz WQBCTJQQNCYOJE-AATRIKPKSA-N 0 0 246.354 3.722 20 0 BHADRN CC/C=C/CCNc1cc(NC(C)=O)ccc1C ZINC000185071775 384680153 /nfs/dbraw/zinc/68/01/53/384680153.db2.gz USCOPAAZVJKEAV-AATRIKPKSA-N 0 0 246.354 3.722 20 0 BHADRN CC/C=C/CCNc1ccccc1COC ZINC000185074140 205709838 /nfs/dbraw/zinc/70/98/38/205709838.db2.gz BIGYJLBFQFPSKJ-SNAWJCMRSA-N 0 0 219.328 3.601 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)O[C@@H](C)c1cccnc1 ZINC000185076058 643261787 /nfs/dbraw/zinc/26/17/87/643261787.db2.gz KPPZUGADBDYCCF-ZKQHCESOSA-N 0 0 247.338 3.678 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)O[C@H](C)c1cccnc1 ZINC000185076078 643262474 /nfs/dbraw/zinc/26/24/74/643262474.db2.gz KPPZUGADBDYCCF-LMMOQWNQSA-N 0 0 247.338 3.678 20 0 BHADRN CC/C=C/CCNc1ccc(C)c(NC(C)=O)c1 ZINC000185076598 384679944 /nfs/dbraw/zinc/67/99/44/384679944.db2.gz BJZREOCRCLEXSI-AATRIKPKSA-N 0 0 246.354 3.722 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)c(C)c1 ZINC000185080060 643264658 /nfs/dbraw/zinc/26/46/58/643264658.db2.gz GPJXUJWQVCVTCN-ZIAGYGMSSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)c(C)c1 ZINC000185080083 643264318 /nfs/dbraw/zinc/26/43/18/643264318.db2.gz GPJXUJWQVCVTCN-KGLIPLIRSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)c(C)c1 ZINC000185080101 643263427 /nfs/dbraw/zinc/26/34/27/643263427.db2.gz GPJXUJWQVCVTCN-UONOGXRCSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2C[C@H]2C(C)C)c(C)c1 ZINC000185080120 643263117 /nfs/dbraw/zinc/26/31/17/643263117.db2.gz GPJXUJWQVCVTCN-KBPBESRZSA-N 0 0 245.366 3.558 20 0 BHADRN CC(C)(O)CSCCCCc1ccccc1 ZINC000185081003 388585045 /nfs/dbraw/zinc/58/50/45/388585045.db2.gz SBSHSMXLFHLAHT-UHFFFAOYSA-N 0 0 238.396 3.513 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)c1 ZINC000185083454 256850760 /nfs/dbraw/zinc/85/07/60/256850760.db2.gz JFKBYYHYGJEWEP-ZIAGYGMSSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)c1 ZINC000185083474 256850678 /nfs/dbraw/zinc/85/06/78/256850678.db2.gz JFKBYYHYGJEWEP-KGLIPLIRSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)c1 ZINC000185083492 388585020 /nfs/dbraw/zinc/58/50/20/388585020.db2.gz JFKBYYHYGJEWEP-UONOGXRCSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@H]2C[C@H]2C(C)C)c1 ZINC000185083512 256850731 /nfs/dbraw/zinc/85/07/31/256850731.db2.gz JFKBYYHYGJEWEP-KBPBESRZSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)c1C ZINC000185083625 388584394 /nfs/dbraw/zinc/58/43/94/388584394.db2.gz CQMNLMVLAWTYIU-ZIAGYGMSSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)c1C ZINC000185083634 388584862 /nfs/dbraw/zinc/58/48/62/388584862.db2.gz CQMNLMVLAWTYIU-KGLIPLIRSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)c1C ZINC000185083646 388585034 /nfs/dbraw/zinc/58/50/34/388585034.db2.gz CQMNLMVLAWTYIU-UONOGXRCSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@H]2C[C@H]2C(C)C)c1C ZINC000185083657 256851845 /nfs/dbraw/zinc/85/18/45/256851845.db2.gz CQMNLMVLAWTYIU-KBPBESRZSA-N 0 0 245.366 3.558 20 0 BHADRN COc1ccccc1OC(=O)/C(C)=C/C(C)(C)C ZINC000185098724 643263738 /nfs/dbraw/zinc/26/37/38/643263738.db2.gz AESGCSGJEVDPGL-ZHACJKMWSA-N 0 0 248.322 3.593 20 0 BHADRN CCN(C(=O)/C(C)=C/C(C)(C)C)C1CCCC1 ZINC000185100418 643264643 /nfs/dbraw/zinc/26/46/43/643264643.db2.gz PSRWSAMBAFUHDS-VAWYXSNFSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C/CCNc1cc(CO)ccc1Cl ZINC000185102552 385719271 /nfs/dbraw/zinc/71/92/71/385719271.db2.gz BGSLNLXZNONIHM-ONEGZZNKSA-N 0 0 239.746 3.601 20 0 BHADRN CC/C=C/CCNc1cc(C)ccc1NC(C)=O ZINC000185103931 167846119 /nfs/dbraw/zinc/84/61/19/167846119.db2.gz LLDMBBSMEMSEAZ-AATRIKPKSA-N 0 0 246.354 3.722 20 0 BHADRN Cc1cc(C)c(NC(=O)[C@@H](C)CC(C)C)c(C)n1 ZINC000185105535 134374456 /nfs/dbraw/zinc/37/44/56/134374456.db2.gz KQCJPROHZGIPDM-NSHDSACASA-N 0 0 248.370 3.628 20 0 BHADRN Cc1cc(C)c(NC(=O)[C@H](C)CC(C)C)c(C)n1 ZINC000185105551 134374785 /nfs/dbraw/zinc/37/47/85/134374785.db2.gz KQCJPROHZGIPDM-LLVKDONJSA-N 0 0 248.370 3.628 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)/C(C)=C/C(C)(C)C ZINC000185120520 711903036 /nfs/dbraw/zinc/90/30/36/711903036.db2.gz SIRCZKMNCMCWOG-BJLXZBBLSA-N 0 0 225.376 3.530 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)/C(C)=C/C(C)(C)C ZINC000185120561 711902991 /nfs/dbraw/zinc/90/29/91/711902991.db2.gz SIRCZKMNCMCWOG-CLCRQULESA-N 0 0 225.376 3.530 20 0 BHADRN CC/C=C/CCOc1ccc2ccc(=O)oc2c1 ZINC000185125040 634035287 /nfs/dbraw/zinc/03/52/87/634035287.db2.gz ZFOODNODBBFSCH-ONEGZZNKSA-N 0 0 244.290 3.528 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000185128009 398090073 /nfs/dbraw/zinc/09/00/73/398090073.db2.gz AQSREUCHVDNWGA-CYBMUJFWSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000185128028 398089179 /nfs/dbraw/zinc/08/91/79/398089179.db2.gz AQSREUCHVDNWGA-ZDUSSCGKSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000185130445 367119875 /nfs/dbraw/zinc/11/98/75/367119875.db2.gz GFOFRFXRBLZBJX-GFCCVEGCSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000185130464 367119032 /nfs/dbraw/zinc/11/90/32/367119032.db2.gz GFOFRFXRBLZBJX-LBPRGKRZSA-N 0 0 237.387 3.602 20 0 BHADRN Cc1ccccc1CS[C@@H](C)c1cnccn1 ZINC000185138612 179286939 /nfs/dbraw/zinc/28/69/39/179286939.db2.gz HZWHXBSIXFEWCX-LBPRGKRZSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1ccccc1CS[C@H](C)c1cnccn1 ZINC000185138626 179286713 /nfs/dbraw/zinc/28/67/13/179286713.db2.gz HZWHXBSIXFEWCX-GFCCVEGCSA-N 0 0 244.363 3.779 20 0 BHADRN CC[C@@H](CN(CC)C(=O)C(C)C)c1ccccc1 ZINC000185142905 398089156 /nfs/dbraw/zinc/08/91/56/398089156.db2.gz DVDVRYFJINVSCJ-AWEZNQCLSA-N 0 0 247.382 3.685 20 0 BHADRN CC[C@H](CN(CC)C(=O)C(C)C)c1ccccc1 ZINC000185142920 398089391 /nfs/dbraw/zinc/08/93/91/398089391.db2.gz DVDVRYFJINVSCJ-CQSZACIVSA-N 0 0 247.382 3.685 20 0 BHADRN CC/C=C/CCOc1ccc(C(C)=O)cc1 ZINC000185151494 398089802 /nfs/dbraw/zinc/08/98/02/398089802.db2.gz OBFGBZYTUQYXKL-SNAWJCMRSA-N 0 0 218.296 3.624 20 0 BHADRN CC/C=C/CCOc1ccccc1C(C)=O ZINC000185152193 398089821 /nfs/dbraw/zinc/08/98/21/398089821.db2.gz IQQHJGCDWCZKMB-SNAWJCMRSA-N 0 0 218.296 3.624 20 0 BHADRN CC/C=C/CCOc1cc(OC)ccc1C(C)=O ZINC000185153275 398089268 /nfs/dbraw/zinc/08/92/68/398089268.db2.gz ASCPJVYGTSCOKP-AATRIKPKSA-N 0 0 248.322 3.633 20 0 BHADRN C[C@H](SC1CCCCC1)c1cnccn1 ZINC000185156209 177026371 /nfs/dbraw/zinc/02/63/71/177026371.db2.gz SNOROEBNJFQELQ-JTQLQIEISA-N 0 0 222.357 3.604 20 0 BHADRN C[C@@H](SC1CCCCC1)c1cnccn1 ZINC000185156226 176006934 /nfs/dbraw/zinc/00/69/34/176006934.db2.gz SNOROEBNJFQELQ-SNVBAGLBSA-N 0 0 222.357 3.604 20 0 BHADRN Cc1ccc(S[C@@H](C)c2cnccn2)cc1 ZINC000185156933 367121612 /nfs/dbraw/zinc/12/16/12/367121612.db2.gz VVXSXQNNHSBHLG-NSHDSACASA-N 0 0 230.336 3.638 20 0 BHADRN Cc1ccc(S[C@H](C)c2cnccn2)cc1 ZINC000185156949 367121727 /nfs/dbraw/zinc/12/17/27/367121727.db2.gz VVXSXQNNHSBHLG-LLVKDONJSA-N 0 0 230.336 3.638 20 0 BHADRN CCCC(=O)N(CC)C[C@@H](CC)c1ccccc1 ZINC000185157651 256851843 /nfs/dbraw/zinc/85/18/43/256851843.db2.gz QKTIDGXHHNGTLU-CQSZACIVSA-N 0 0 247.382 3.829 20 0 BHADRN CCCC(=O)N(CC)C[C@H](CC)c1ccccc1 ZINC000185157670 398089956 /nfs/dbraw/zinc/08/99/56/398089956.db2.gz QKTIDGXHHNGTLU-AWEZNQCLSA-N 0 0 247.382 3.829 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)[C@@H](C)c1ccco1 ZINC000185168657 384689277 /nfs/dbraw/zinc/68/92/77/384689277.db2.gz WABZLAPQWWPXSC-IIANPFDCSA-N 0 0 249.354 3.791 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)[C@H](C)c1ccco1 ZINC000185168677 384688260 /nfs/dbraw/zinc/68/82/60/384688260.db2.gz WABZLAPQWWPXSC-HCRIHEDKSA-N 0 0 249.354 3.791 20 0 BHADRN Cc1ccc(CNC(=O)C2=CCCCCC2)cc1 ZINC000185181600 367123465 /nfs/dbraw/zinc/12/34/65/367123465.db2.gz HZZNNOVRUYFUAH-UHFFFAOYSA-N 0 0 243.350 3.502 20 0 BHADRN Fc1ccc(SCc2cncc(F)c2)cc1 ZINC000185182318 398089648 /nfs/dbraw/zinc/08/96/48/398089648.db2.gz BBDSTNRQRFATPF-UHFFFAOYSA-N 0 0 237.274 3.652 20 0 BHADRN Cc1ccc(S[C@@H](C)c2cnccn2)cc1C ZINC000185182491 384688595 /nfs/dbraw/zinc/68/85/95/384688595.db2.gz MHOUUMUBPCBCOC-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1ccc(S[C@H](C)c2cnccn2)cc1C ZINC000185182507 384687807 /nfs/dbraw/zinc/68/78/07/384687807.db2.gz MHOUUMUBPCBCOC-GFCCVEGCSA-N 0 0 244.363 3.947 20 0 BHADRN Fc1cncc(CSc2ccccc2F)c1 ZINC000185182790 256851620 /nfs/dbraw/zinc/85/16/20/256851620.db2.gz SKPYHNBWICKUJW-UHFFFAOYSA-N 0 0 237.274 3.652 20 0 BHADRN Cc1ccccc1CSCc1cncc(F)c1 ZINC000185183117 256851635 /nfs/dbraw/zinc/85/16/35/256851635.db2.gz HYHUUIGXEGZWEU-UHFFFAOYSA-N 0 0 247.338 3.963 20 0 BHADRN Cc1ccc(C)c(S[C@@H](C)c2cnccn2)c1 ZINC000185183288 384687772 /nfs/dbraw/zinc/68/77/72/384687772.db2.gz QUSDBSHKDTWLMH-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1ccc(C)c(S[C@H](C)c2cnccn2)c1 ZINC000185183301 178493412 /nfs/dbraw/zinc/49/34/12/178493412.db2.gz QUSDBSHKDTWLMH-GFCCVEGCSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1ccc(S[C@@H](C)c2cnccn2)c(C)c1 ZINC000185183377 384688623 /nfs/dbraw/zinc/68/86/23/384688623.db2.gz YNTSLSZPIVGREE-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1ccc(S[C@H](C)c2cnccn2)c(C)c1 ZINC000185183398 384688970 /nfs/dbraw/zinc/68/89/70/384688970.db2.gz YNTSLSZPIVGREE-GFCCVEGCSA-N 0 0 244.363 3.947 20 0 BHADRN Fc1cncc(CSCc2ccccc2)c1 ZINC000185184793 398090110 /nfs/dbraw/zinc/09/01/10/398090110.db2.gz PQKXHEDCZTYNMF-UHFFFAOYSA-N 0 0 233.311 3.654 20 0 BHADRN Cc1ccc(SCc2cncc(F)c2)cc1 ZINC000185184892 398089528 /nfs/dbraw/zinc/08/95/28/398089528.db2.gz HHTITJNHIPMLHF-UHFFFAOYSA-N 0 0 233.311 3.821 20 0 BHADRN Cc1ccccc1CNC(=O)C1=CCCCCC1 ZINC000185185793 367125277 /nfs/dbraw/zinc/12/52/77/367125277.db2.gz RCPMXDZKHCYUAY-UHFFFAOYSA-N 0 0 243.350 3.502 20 0 BHADRN CC/C=C/CCOc1ccc(C(C)=O)cc1OC ZINC000185186555 535233229 /nfs/dbraw/zinc/23/32/29/535233229.db2.gz FURAVORGNRXQDO-AATRIKPKSA-N 0 0 248.322 3.633 20 0 BHADRN COc1ccc(SCc2cncc(F)c2)cc1 ZINC000185190031 398090085 /nfs/dbraw/zinc/09/00/85/398090085.db2.gz IJDSYBVCZPMFHU-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN COc1cccc(SCc2cncc(F)c2)c1 ZINC000185193174 398089629 /nfs/dbraw/zinc/08/96/29/398089629.db2.gz MWCLHDRVLAHRRQ-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN Cc1ccccc1SCc1cncc(F)c1 ZINC000185194237 398089547 /nfs/dbraw/zinc/08/95/47/398089547.db2.gz QEXGFZKFVJUZRJ-UHFFFAOYSA-N 0 0 233.311 3.821 20 0 BHADRN COc1ccccc1SCc1cncc(F)c1 ZINC000185194444 398089290 /nfs/dbraw/zinc/08/92/90/398089290.db2.gz FLOQSGOFSUARNK-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN Cc1cccc(SCc2cncc(F)c2)c1 ZINC000185194473 398090880 /nfs/dbraw/zinc/09/08/80/398090880.db2.gz JCEYRVLYLWYJMG-UHFFFAOYSA-N 0 0 233.311 3.821 20 0 BHADRN C[C@@H](NC(=O)C1=CCCCCC1)c1cccs1 ZINC000185195427 538969925 /nfs/dbraw/zinc/96/99/25/538969925.db2.gz IVGBANPFTXXZOW-LLVKDONJSA-N 0 0 249.379 3.816 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N(CC(C)C)C(C)C ZINC000185196672 259378204 /nfs/dbraw/zinc/37/82/04/259378204.db2.gz YJKWXHQJUVITGF-CYBMUJFWSA-N 0 0 227.392 3.562 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(CC(C)C)C(C)C ZINC000185196690 398090722 /nfs/dbraw/zinc/09/07/22/398090722.db2.gz YJKWXHQJUVITGF-ZDUSSCGKSA-N 0 0 227.392 3.562 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000185199627 256852528 /nfs/dbraw/zinc/85/25/28/256852528.db2.gz BRJREXXAUYMGJM-OLZOCXBDSA-N 0 0 239.403 3.704 20 0 BHADRN CC(C)C[C@H](C)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000185199644 398090562 /nfs/dbraw/zinc/09/05/62/398090562.db2.gz BRJREXXAUYMGJM-STQMWFEESA-N 0 0 239.403 3.704 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000185199659 398090621 /nfs/dbraw/zinc/09/06/21/398090621.db2.gz BRJREXXAUYMGJM-CHWSQXEVSA-N 0 0 239.403 3.704 20 0 BHADRN CC(C)C[C@H](C)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000185199678 256852282 /nfs/dbraw/zinc/85/22/82/256852282.db2.gz BRJREXXAUYMGJM-QWHCGFSZSA-N 0 0 239.403 3.704 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)C(C1CC1)C1CC1 ZINC000185202086 711904367 /nfs/dbraw/zinc/90/43/67/711904367.db2.gz YCGCLMPUGWMOBC-ZHACJKMWSA-N 0 0 249.398 3.626 20 0 BHADRN CCCC(C)(C)NC(=O)/C(C)=C/C(C)(C)C ZINC000185205700 643275013 /nfs/dbraw/zinc/27/50/13/643275013.db2.gz JQRDPHVLDCIONR-ZHACJKMWSA-N 0 0 225.376 3.674 20 0 BHADRN Cc1cccc(CNC(=O)C2=CCCCCC2)c1 ZINC000185207646 367125798 /nfs/dbraw/zinc/12/57/98/367125798.db2.gz DYPLYSDLSRCNDF-UHFFFAOYSA-N 0 0 243.350 3.502 20 0 BHADRN CN(C(=O)C1=CCCCCC1)C1CCCCC1 ZINC000185210071 367124950 /nfs/dbraw/zinc/12/49/50/367124950.db2.gz BZWQTIPFTUBXRL-UHFFFAOYSA-N 0 0 235.371 3.668 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)NC(CC)CC ZINC000185211717 367124889 /nfs/dbraw/zinc/12/48/89/367124889.db2.gz CHYYBMJHZLEWDB-CYBMUJFWSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)NC(CC)CC ZINC000185211730 367125434 /nfs/dbraw/zinc/12/54/34/367125434.db2.gz CHYYBMJHZLEWDB-ZDUSSCGKSA-N 0 0 240.391 3.539 20 0 BHADRN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000185216621 398090933 /nfs/dbraw/zinc/09/09/33/398090933.db2.gz WRMPLRLOVPIKAL-BJJXKVORSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000185216638 398090883 /nfs/dbraw/zinc/09/08/83/398090883.db2.gz WRMPLRLOVPIKAL-JGGQBBKZSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000185216661 398090804 /nfs/dbraw/zinc/09/08/04/398090804.db2.gz WRMPLRLOVPIKAL-NOLJZWGESA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000185216676 398090976 /nfs/dbraw/zinc/09/09/76/398090976.db2.gz WRMPLRLOVPIKAL-DUVNUKRYSA-N 0 0 245.366 3.546 20 0 BHADRN C[C@H](NC(=O)C1=CCCCCC1)c1ccccc1 ZINC000185216881 347193144 /nfs/dbraw/zinc/19/31/44/347193144.db2.gz YRIVLDINKIHMJH-ZDUSSCGKSA-N 0 0 243.350 3.754 20 0 BHADRN C[C@@H](NC(=O)C1=CCCCCC1)c1ccccc1 ZINC000185216900 367126474 /nfs/dbraw/zinc/12/64/74/367126474.db2.gz YRIVLDINKIHMJH-CYBMUJFWSA-N 0 0 243.350 3.754 20 0 BHADRN CCC(C)(CC)C(=O)N(C)c1ccc(F)cc1 ZINC000185229435 538970347 /nfs/dbraw/zinc/97/03/47/538970347.db2.gz VWPUQFIEDXRPRA-UHFFFAOYSA-N 0 0 237.318 3.615 20 0 BHADRN 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C=Cc1ccc(C(=O)N(CC(C)C)C2CC2)cc1 ZINC000185248261 188170019 /nfs/dbraw/zinc/17/00/19/188170019.db2.gz CWTRTKUZTJQPCB-UHFFFAOYSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2CCC[C@@H](CC)C2)cc1 ZINC000185251287 367126724 /nfs/dbraw/zinc/12/67/24/367126724.db2.gz FZTPCZPZONYCIO-CQSZACIVSA-N 0 0 243.350 3.592 20 0 BHADRN C=Cc1ccc(C(=O)N2CCC[C@H](CC)C2)cc1 ZINC000185251303 367126211 /nfs/dbraw/zinc/12/62/11/367126211.db2.gz FZTPCZPZONYCIO-AWEZNQCLSA-N 0 0 243.350 3.592 20 0 BHADRN Cc1ccc(NC(=O)C2=CCCCCC2)c(F)c1 ZINC000185251760 367126603 /nfs/dbraw/zinc/12/66/03/367126603.db2.gz BNDOAFMIAJHHPP-UHFFFAOYSA-N 0 0 247.313 3.963 20 0 BHADRN Cc1ccc(F)c(NC(=O)C2=CCCCCC2)c1 ZINC000185252146 367126542 /nfs/dbraw/zinc/12/65/42/367126542.db2.gz CENKEYHXKAPKRS-UHFFFAOYSA-N 0 0 247.313 3.963 20 0 BHADRN C=Cc1ccc(C(=O)N(CC)C2CCCC2)cc1 ZINC000185254578 187822362 /nfs/dbraw/zinc/82/23/62/187822362.db2.gz KFNCTWGRTMWCCD-UHFFFAOYSA-N 0 0 243.350 3.734 20 0 BHADRN Cc1cccc(NC(=O)C2=CCCCCC2)c1 ZINC000185255878 367126442 /nfs/dbraw/zinc/12/64/42/367126442.db2.gz JGAINFPLFOYPOQ-UHFFFAOYSA-N 0 0 229.323 3.824 20 0 BHADRN COc1cccc(NC(=O)C2=CCCCCC2)c1 ZINC000185256233 367126178 /nfs/dbraw/zinc/12/61/78/367126178.db2.gz LSNCCHCHWDQEHQ-UHFFFAOYSA-N 0 0 245.322 3.524 20 0 BHADRN COc1cc(C)ccc1NC(=O)[C@@H](C)CC(C)C ZINC000185256375 388585368 /nfs/dbraw/zinc/58/53/68/388585368.db2.gz QSYBALCCAZFWKB-LBPRGKRZSA-N 0 0 249.354 3.624 20 0 BHADRN COc1cc(C)ccc1NC(=O)[C@H](C)CC(C)C ZINC000185256390 388585665 /nfs/dbraw/zinc/58/56/65/388585665.db2.gz QSYBALCCAZFWKB-GFCCVEGCSA-N 0 0 249.354 3.624 20 0 BHADRN COc1ccccc1NC(=O)C1=CCCCCC1 ZINC000185256412 367126042 /nfs/dbraw/zinc/12/60/42/367126042.db2.gz FXQAADBEPBHNBH-UHFFFAOYSA-N 0 0 245.322 3.524 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)CC(C)C)c(C)c1 ZINC000185257308 634038584 /nfs/dbraw/zinc/03/85/84/634038584.db2.gz NSCPPWFKAZBTJQ-AWEZNQCLSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)CC(C)C)c(C)c1 ZINC000185257322 634039893 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OHFNENPIMYSLCR-NSHDSACASA-N 0 0 244.338 3.789 20 0 BHADRN Cc1ccc(NC(=O)C2=CCCCCC2)cc1 ZINC000185301037 347195816 /nfs/dbraw/zinc/19/58/16/347195816.db2.gz LYCAXYZBVQNARW-UHFFFAOYSA-N 0 0 229.323 3.824 20 0 BHADRN COc1ccc(NC(=O)C2=CCCCCC2)cc1 ZINC000185301290 367127744 /nfs/dbraw/zinc/12/77/44/367127744.db2.gz PKSFSRYECHFSCK-UHFFFAOYSA-N 0 0 245.322 3.524 20 0 BHADRN O=C(Nc1cccc(F)c1)C1=CCCCCC1 ZINC000185301898 367128063 /nfs/dbraw/zinc/12/80/63/367128063.db2.gz QJLZDROHYVKKAO-UHFFFAOYSA-N 0 0 233.286 3.655 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@@H](C)CC(C)C)c1 ZINC000185303539 256853212 /nfs/dbraw/zinc/85/32/12/256853212.db2.gz LLWHORTYPWPMLI-ZDUSSCGKSA-N 0 0 233.355 3.640 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@H](C)CC(C)C)c1 ZINC000185303555 388586509 /nfs/dbraw/zinc/58/65/09/388586509.db2.gz LLWHORTYPWPMLI-CYBMUJFWSA-N 0 0 233.355 3.640 20 0 BHADRN COc1ccc(NC(=O)[C@@H](C)CC(C)C)c(C)c1 ZINC000185303713 175144818 /nfs/dbraw/zinc/14/48/18/175144818.db2.gz NIRHZPNVDBNDEY-LBPRGKRZSA-N 0 0 249.354 3.624 20 0 BHADRN COc1ccc(NC(=O)[C@H](C)CC(C)C)c(C)c1 ZINC000185303729 175146559 /nfs/dbraw/zinc/14/65/59/175146559.db2.gz NIRHZPNVDBNDEY-GFCCVEGCSA-N 0 0 249.354 3.624 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000185306244 388586822 /nfs/dbraw/zinc/58/68/22/388586822.db2.gz OLYJYTMBENMUSL-BBRMVZONSA-N 0 0 245.366 3.870 20 0 BHADRN CCc1ccccc1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000185306259 388586925 /nfs/dbraw/zinc/58/69/25/388586925.db2.gz OLYJYTMBENMUSL-CJNGLKHVSA-N 0 0 245.366 3.870 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000185306278 388586776 /nfs/dbraw/zinc/58/67/76/388586776.db2.gz OLYJYTMBENMUSL-XJKSGUPXSA-N 0 0 245.366 3.870 20 0 BHADRN CCc1ccccc1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000185306293 388586715 /nfs/dbraw/zinc/58/67/15/388586715.db2.gz OLYJYTMBENMUSL-CZUORRHYSA-N 0 0 245.366 3.870 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000185307386 388586562 /nfs/dbraw/zinc/58/65/62/388586562.db2.gz OEAWDVXOBBHYOK-WFASDCNBSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000185307404 388586800 /nfs/dbraw/zinc/58/68/00/388586800.db2.gz OEAWDVXOBBHYOK-DOMZBBRYSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000185307426 256853584 /nfs/dbraw/zinc/85/35/84/256853584.db2.gz OEAWDVXOBBHYOK-SWLSCSKDSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000185307448 388587013 /nfs/dbraw/zinc/58/70/13/388587013.db2.gz OEAWDVXOBBHYOK-IUODEOHRSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1cc(F)ccc1NC(=O)C1=CCCCCC1 ZINC000185307554 367128072 /nfs/dbraw/zinc/12/80/72/367128072.db2.gz FUJVWSULXXPGBW-UHFFFAOYSA-N 0 0 247.313 3.963 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Oc1cccc(F)c1F ZINC000185308578 634040235 /nfs/dbraw/zinc/04/02/35/634040235.db2.gz NARTWKMYIMEHSL-SECBINFHSA-N 0 0 242.265 3.552 20 0 BHADRN CC(C)C[C@H](C)C(=O)Oc1cccc(F)c1F ZINC000185308595 634039735 /nfs/dbraw/zinc/03/97/35/634039735.db2.gz NARTWKMYIMEHSL-VIFPVBQESA-N 0 0 242.265 3.552 20 0 BHADRN CCCN(CC1CC1)C(=O)C1=CCCCCC1 ZINC000185309130 347196818 /nfs/dbraw/zinc/19/68/18/347196818.db2.gz ITFXPMQFUUPEKM-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCCC[C@@H](C)OC(=O)/C=C/c1ncccc1C ZINC000185309166 643290017 /nfs/dbraw/zinc/29/00/17/643290017.db2.gz LFJOHFIXBOZRSR-WTNCMQEWSA-N 0 0 247.338 3.525 20 0 BHADRN CCCC[C@H](C)OC(=O)/C=C/c1ncccc1C ZINC000185309184 643289188 /nfs/dbraw/zinc/28/91/88/643289188.db2.gz LFJOHFIXBOZRSR-LXKVQUBZSA-N 0 0 247.338 3.525 20 0 BHADRN CCC[C@@H](CC)OC(=O)/C=C/c1ncccc1C ZINC000185310021 643289388 /nfs/dbraw/zinc/28/93/88/643289388.db2.gz HBCSWZVPCXDCEC-WTNCMQEWSA-N 0 0 247.338 3.525 20 0 BHADRN CCC[C@H](CC)OC(=O)/C=C/c1ncccc1C ZINC000185310037 643289130 /nfs/dbraw/zinc/28/91/30/643289130.db2.gz HBCSWZVPCXDCEC-LXKVQUBZSA-N 0 0 247.338 3.525 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)N1CCCC2(CC2)C1 ZINC000185322485 134379593 /nfs/dbraw/zinc/37/95/93/134379593.db2.gz NPEOZCKWZCPMDU-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)N1CCCC2(CC2)C1 ZINC000185322500 134379559 /nfs/dbraw/zinc/37/95/59/134379559.db2.gz NPEOZCKWZCPMDU-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1Cc2ccccc2C1 ZINC000185329943 643292614 /nfs/dbraw/zinc/29/26/14/643292614.db2.gz CPBGXCQFUSMCDT-FMIVXFBMSA-N 0 0 243.350 3.521 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(C)c(C)c1 ZINC000185337597 134376646 /nfs/dbraw/zinc/37/66/46/134376646.db2.gz OWJYUEMEHMFYEM-IUODEOHRSA-N 0 0 245.366 3.564 20 0 BHADRN CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(C)c(C)c1 ZINC000185337618 134377044 /nfs/dbraw/zinc/37/70/44/134377044.db2.gz OWJYUEMEHMFYEM-DOMZBBRYSA-N 0 0 245.366 3.564 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(C)c(C)c1 ZINC000185337638 134376849 /nfs/dbraw/zinc/37/68/49/134376849.db2.gz OWJYUEMEHMFYEM-SWLSCSKDSA-N 0 0 245.366 3.564 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C)c(C)c1 ZINC000185337657 134376757 /nfs/dbraw/zinc/37/67/57/134376757.db2.gz OWJYUEMEHMFYEM-WFASDCNBSA-N 0 0 245.366 3.564 20 0 BHADRN CCC(C)(CC)C(=O)N1CCc2ccc(F)cc21 ZINC000185338417 538969951 /nfs/dbraw/zinc/96/99/51/538969951.db2.gz OGUBQJJUIMTTHE-UHFFFAOYSA-N 0 0 249.329 3.541 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)CC1=CCCCC1 ZINC000185342504 388586461 /nfs/dbraw/zinc/58/64/61/388586461.db2.gz SHBFNCYCMPNANM-TZMCWYRMSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H]1[C@H](C)CCN1C(=O)CC1=CCCCC1 ZINC000185342521 256853520 /nfs/dbraw/zinc/85/35/20/256853520.db2.gz SHBFNCYCMPNANM-OCCSQVGLSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)CC1=CCCCC1 ZINC000185342536 388586559 /nfs/dbraw/zinc/58/65/59/388586559.db2.gz SHBFNCYCMPNANM-GXTWGEPZSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1C(=O)CC1=CCCCC1 ZINC000185342553 388586522 /nfs/dbraw/zinc/58/65/22/388586522.db2.gz SHBFNCYCMPNANM-JSGCOSHPSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H](CC(=O)N1CC[C@@H](C)[C@H]1CC)C(C)C ZINC000185346817 388586275 /nfs/dbraw/zinc/58/62/75/388586275.db2.gz KKPHAURBKRSGOZ-MGPQQGTHSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(=O)N1CC[C@@H](C)[C@@H]1CC)C(C)C ZINC000185346843 388587040 /nfs/dbraw/zinc/58/70/40/388587040.db2.gz KKPHAURBKRSGOZ-MCIONIFRSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(=O)N1CC[C@H](C)[C@H]1CC)C(C)C ZINC000185346866 388586298 /nfs/dbraw/zinc/58/62/98/388586298.db2.gz KKPHAURBKRSGOZ-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(=O)N1CC[C@H](C)[C@@H]1CC)C(C)C ZINC000185346893 256853579 /nfs/dbraw/zinc/85/35/79/256853579.db2.gz KKPHAURBKRSGOZ-MJBXVCDLSA-N 0 0 239.403 3.706 20 0 BHADRN CC1(C)CCC[C@H](C(=O)N2CCCC3(CC3)C2)C1 ZINC000185355161 134376667 /nfs/dbraw/zinc/37/66/67/134376667.db2.gz WFDDZZSOHAXEDR-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN CC1(C)CCC[C@@H](C(=O)N2CCCC3(CC3)C2)C1 ZINC000185355180 535299186 /nfs/dbraw/zinc/29/91/86/535299186.db2.gz WFDDZZSOHAXEDR-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(C)ccc1C ZINC000185357131 134377017 /nfs/dbraw/zinc/37/70/17/134377017.db2.gz XMVLPTWCZCPUDZ-UKRRQHHQSA-N 0 0 245.366 3.564 20 0 BHADRN CC[C@H]1[C@H](C)CCN1C(=O)c1cc(C)ccc1C ZINC000185357151 134376696 /nfs/dbraw/zinc/37/66/96/134376696.db2.gz XMVLPTWCZCPUDZ-HIFRSBDPSA-N 0 0 245.366 3.564 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(C)ccc1C ZINC000185357171 134376939 /nfs/dbraw/zinc/37/69/39/134376939.db2.gz XMVLPTWCZCPUDZ-DZGCQCFKSA-N 0 0 245.366 3.564 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(C)ccc1C ZINC000185357191 134376801 /nfs/dbraw/zinc/37/68/01/134376801.db2.gz XMVLPTWCZCPUDZ-ZFWWWQNUSA-N 0 0 245.366 3.564 20 0 BHADRN CCc1ccc(C(=O)N2CC[C@H](C)[C@@H]2CC)cc1 ZINC000185357218 256853577 /nfs/dbraw/zinc/85/35/77/256853577.db2.gz IBNZUCRJUXPMJE-WFASDCNBSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2CC)cc1 ZINC000185357239 256853559 /nfs/dbraw/zinc/85/35/59/256853559.db2.gz IBNZUCRJUXPMJE-DOMZBBRYSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccc(C(=O)N2CC[C@H](C)[C@H]2CC)cc1 ZINC000185357258 256853362 /nfs/dbraw/zinc/85/33/62/256853362.db2.gz IBNZUCRJUXPMJE-SWLSCSKDSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccc(C(=O)N2CC[C@@H](C)[C@H]2CC)cc1 ZINC000185357279 256853772 /nfs/dbraw/zinc/85/37/72/256853772.db2.gz IBNZUCRJUXPMJE-IUODEOHRSA-N 0 0 245.366 3.510 20 0 BHADRN O=C(CCC1CCCCC1)N1CCCC2(CC2)C1 ZINC000185358765 134377035 /nfs/dbraw/zinc/37/70/35/134377035.db2.gz HGRNKPDDBHLUQE-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN Cc1ccc(COc2cc(F)cc(F)c2)c(C)n1 ZINC000185363066 134377248 /nfs/dbraw/zinc/37/72/48/134377248.db2.gz GYBYIFIKSXKGDA-UHFFFAOYSA-N 0 0 249.260 3.556 20 0 BHADRN O=C(CC1CCCCCC1)N1CCCC2(CC2)C1 ZINC000185364082 388586336 /nfs/dbraw/zinc/58/63/36/388586336.db2.gz RSAAWDKVRPUTJX-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN Cc1ccc(COc2cccc(F)c2F)c(C)n1 ZINC000185366176 134377110 /nfs/dbraw/zinc/37/71/10/134377110.db2.gz CIVRKEIMBKFBFT-UHFFFAOYSA-N 0 0 249.260 3.556 20 0 BHADRN Cc1ccc(COc2cc(F)ccc2F)c(C)n1 ZINC000185368246 134377216 /nfs/dbraw/zinc/37/72/16/134377216.db2.gz LGKDNBXALOXVDT-UHFFFAOYSA-N 0 0 249.260 3.556 20 0 BHADRN O=C(/C=C/C1CCCCC1)N1CCCC2(CC2)C1 ZINC000185372525 643302830 /nfs/dbraw/zinc/30/28/30/643302830.db2.gz SUPGAJQWIPOROL-BQYQJAHWSA-N 0 0 247.382 3.526 20 0 BHADRN CCSc1nnc(SC(CC)CC)s1 ZINC000185373648 367129357 /nfs/dbraw/zinc/12/93/57/367129357.db2.gz JFBRGDOGYHHQKL-UHFFFAOYSA-N 0 0 248.442 3.931 20 0 BHADRN Cc1ccc(F)c(OCc2ccc(C)nc2C)c1 ZINC000185373775 134377421 /nfs/dbraw/zinc/37/74/21/134377421.db2.gz RNRSMIDDBXOUON-UHFFFAOYSA-N 0 0 245.297 3.725 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@@H](C)CC(C)C)CC1 ZINC000185376072 256853562 /nfs/dbraw/zinc/85/35/62/256853562.db2.gz JWUPDTJVBDVVLK-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H]1CCCN(C(=O)[C@@H](C)CC(C)C)CC1 ZINC000185376088 388586552 /nfs/dbraw/zinc/58/65/52/388586552.db2.gz JWUPDTJVBDVVLK-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@H](C)CC(C)C)CC1 ZINC000185376105 388586972 /nfs/dbraw/zinc/58/69/72/388586972.db2.gz JWUPDTJVBDVVLK-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H]1CCCN(C(=O)[C@H](C)CC(C)C)CC1 ZINC000185376123 388586854 /nfs/dbraw/zinc/58/68/54/388586854.db2.gz JWUPDTJVBDVVLK-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000185376643 259378578 /nfs/dbraw/zinc/37/85/78/259378578.db2.gz OFMXTPZNKWFIGU-ZIAGYGMSSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000185376660 388586252 /nfs/dbraw/zinc/58/62/52/388586252.db2.gz OFMXTPZNKWFIGU-UONOGXRCSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CCCC[C@H]1C(C)C ZINC000185376681 388586702 /nfs/dbraw/zinc/58/67/02/388586702.db2.gz OFMXTPZNKWFIGU-KGLIPLIRSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CCCC[C@H]1C(C)C ZINC000185376700 388586664 /nfs/dbraw/zinc/58/66/64/388586664.db2.gz OFMXTPZNKWFIGU-KBPBESRZSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)C[C@@H](C)CC(C)C ZINC000185387946 388586793 /nfs/dbraw/zinc/58/67/93/388586793.db2.gz AUJUERBOLMTAFE-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)C[C@@H](C)CC(C)C ZINC000185387989 388586894 /nfs/dbraw/zinc/58/68/94/388586894.db2.gz AUJUERBOLMTAFE-MELADBBJSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)CCCC(C)(C)C ZINC000185388279 388586945 /nfs/dbraw/zinc/58/69/45/388586945.db2.gz KNDRAZWNGMOPNP-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1[C@H](C)CCN1C(=O)CCCC(C)(C)C ZINC000185388301 388586941 /nfs/dbraw/zinc/58/69/41/388586941.db2.gz KNDRAZWNGMOPNP-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)CCCC(C)(C)C ZINC000185388320 388586931 /nfs/dbraw/zinc/58/69/31/388586931.db2.gz KNDRAZWNGMOPNP-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1C(=O)CCCC(C)(C)C ZINC000185388337 388586876 /nfs/dbraw/zinc/58/68/76/388586876.db2.gz KNDRAZWNGMOPNP-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CC1(CC(=O)N2CCCC3(CC3)C2)CCCCC1 ZINC000185392046 134377669 /nfs/dbraw/zinc/37/76/69/134377669.db2.gz HJFGSMVRTSICIK-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN Cc1ccc(SCCOCC2CC2)cc1 ZINC000185397722 367130525 /nfs/dbraw/zinc/13/05/25/367130525.db2.gz MLRXPUFGMPPCIR-UHFFFAOYSA-N 0 0 222.353 3.514 20 0 BHADRN CCC(CC)Sc1nncn1-c1ccccc1 ZINC000185397962 535089749 /nfs/dbraw/zinc/08/97/49/535089749.db2.gz YRUUIIGWCNLBEX-UHFFFAOYSA-N 0 0 247.367 3.548 20 0 BHADRN CCC(C)(CC)NC(=O)/C(C)=C/C(C)(C)C ZINC000185398026 634041782 /nfs/dbraw/zinc/04/17/82/634041782.db2.gz JHKXOJRPTQUOPX-ZHACJKMWSA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1c1nc(-c2cccs2)no1 ZINC000185400534 367130412 /nfs/dbraw/zinc/13/04/12/367130412.db2.gz CJJVFNLZTABLOO-IUCAKERBSA-N 0 0 234.324 3.558 20 0 BHADRN CC(C)[C@H]1C[C@@H]1c1nc(-c2cccs2)no1 ZINC000185400553 367130656 /nfs/dbraw/zinc/13/06/56/367130656.db2.gz CJJVFNLZTABLOO-BDAKNGLRSA-N 0 0 234.324 3.558 20 0 BHADRN CC(C)[C@@H]1C[C@H]1c1nc(-c2cccs2)no1 ZINC000185400571 367130337 /nfs/dbraw/zinc/13/03/37/367130337.db2.gz CJJVFNLZTABLOO-DTWKUNHWSA-N 0 0 234.324 3.558 20 0 BHADRN CC(C)[C@H]1C[C@H]1c1nc(-c2cccs2)no1 ZINC000185400591 367130651 /nfs/dbraw/zinc/13/06/51/367130651.db2.gz CJJVFNLZTABLOO-RKDXNWHRSA-N 0 0 234.324 3.558 20 0 BHADRN CN(Cc1ccccc1)C(=O)C1=CCCCCC1 ZINC000185400956 384719514 /nfs/dbraw/zinc/71/95/14/384719514.db2.gz RBWLASDOYGFDHZ-UHFFFAOYSA-N 0 0 243.350 3.536 20 0 BHADRN Cc1oc2ccc(NC(=O)C(C)C)cc2c1C ZINC000185401242 134379312 /nfs/dbraw/zinc/37/93/12/134379312.db2.gz BCODLTVJQVNQBX-UHFFFAOYSA-N 0 0 231.295 3.644 20 0 BHADRN Cc1oc2ccc(NC(=O)C3(C)CC3)cc2c1C ZINC000185402132 134379226 /nfs/dbraw/zinc/37/92/26/134379226.db2.gz NKGGPQVDKGKYOF-UHFFFAOYSA-N 0 0 243.306 3.788 20 0 BHADRN CC[C@@H]1CCCCCN1C(=O)[C@@H](C)CC(C)C ZINC000185402718 388586787 /nfs/dbraw/zinc/58/67/87/388586787.db2.gz XGISUADRMNLUQH-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCCCN1C(=O)[C@@H](C)CC(C)C ZINC000185402732 256854589 /nfs/dbraw/zinc/85/45/89/256854589.db2.gz XGISUADRMNLUQH-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CCCCCN1C(=O)[C@H](C)CC(C)C ZINC000185402752 388586887 /nfs/dbraw/zinc/58/68/87/388586887.db2.gz XGISUADRMNLUQH-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCCCN1C(=O)[C@H](C)CC(C)C ZINC000185402770 388586546 /nfs/dbraw/zinc/58/65/46/388586546.db2.gz XGISUADRMNLUQH-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1c1nc(-c2ccsc2)no1 ZINC000185402771 367130182 /nfs/dbraw/zinc/13/01/82/367130182.db2.gz JUKSPJIVDAVXDS-UWVGGRQHSA-N 0 0 234.324 3.558 20 0 BHADRN CC(C)[C@H]1C[C@@H]1c1nc(-c2ccsc2)no1 ZINC000185402790 367130225 /nfs/dbraw/zinc/13/02/25/367130225.db2.gz JUKSPJIVDAVXDS-ZJUUUORDSA-N 0 0 234.324 3.558 20 0 BHADRN CC(C)[C@@H]1C[C@H]1c1nc(-c2ccsc2)no1 ZINC000185402808 367130799 /nfs/dbraw/zinc/13/07/99/367130799.db2.gz JUKSPJIVDAVXDS-VHSXEESVSA-N 0 0 234.324 3.558 20 0 BHADRN CC(C)[C@H]1C[C@H]1c1nc(-c2ccsc2)no1 ZINC000185402824 367128189 /nfs/dbraw/zinc/12/81/89/367128189.db2.gz JUKSPJIVDAVXDS-NXEZZACHSA-N 0 0 234.324 3.558 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Nc1ccc(O)c(C)c1 ZINC000185408824 384719727 /nfs/dbraw/zinc/71/97/27/384719727.db2.gz PNLLJRDWNDSQHR-PKNBQFBNSA-N 0 0 247.338 3.632 20 0 BHADRN c1ncc(C[NH2+]CCC2=CCCCCC2)s1 ZINC000185408923 187227783 /nfs/dbraw/zinc/22/77/83/187227783.db2.gz DUILXFSOCPTDKP-UHFFFAOYSA-N 0 0 236.384 3.513 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000185409305 388588064 /nfs/dbraw/zinc/58/80/64/388588064.db2.gz ZAXLEVZSVZLILM-RDBSUJKOSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000185409326 256854518 /nfs/dbraw/zinc/85/45/18/256854518.db2.gz ZAXLEVZSVZLILM-IHRRRGAJSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000185409343 388587354 /nfs/dbraw/zinc/58/73/54/388587354.db2.gz ZAXLEVZSVZLILM-HZSPNIEDSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000185409361 388587470 /nfs/dbraw/zinc/58/74/70/388587470.db2.gz ZAXLEVZSVZLILM-MELADBBJSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000185411301 388587668 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3.515 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000185504135 388587658 /nfs/dbraw/zinc/58/76/58/388587658.db2.gz HPECEPARXHXBDF-WFASDCNBSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1ccccc1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000185504156 388588085 /nfs/dbraw/zinc/58/80/85/388588085.db2.gz HPECEPARXHXBDF-DOMZBBRYSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000185504175 388587994 /nfs/dbraw/zinc/58/79/94/388587994.db2.gz HPECEPARXHXBDF-SWLSCSKDSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1ccccc1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000185504191 388587419 /nfs/dbraw/zinc/58/74/19/388587419.db2.gz HPECEPARXHXBDF-IUODEOHRSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1ccccc1NC(=O)C1=CCCCCC1 ZINC000185504239 179297721 /nfs/dbraw/zinc/29/77/21/179297721.db2.gz ISJIKZCHWPRTKB-UHFFFAOYSA-N 0 0 229.323 3.824 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cccc(C)c1 ZINC000185505287 171159126 /nfs/dbraw/zinc/15/91/26/171159126.db2.gz AGIXNZTUYIFFKI-TZMCWYRMSA-N 0 0 246.354 3.647 20 0 BHADRN CC[C@H]1[C@H](C)CCN1C(=O)Nc1cccc(C)c1 ZINC000185505305 384732071 /nfs/dbraw/zinc/73/20/71/384732071.db2.gz AGIXNZTUYIFFKI-OCCSQVGLSA-N 0 0 246.354 3.647 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc(C)c1 ZINC000185505325 171153861 /nfs/dbraw/zinc/15/38/61/171153861.db2.gz AGIXNZTUYIFFKI-GXTWGEPZSA-N 0 0 246.354 3.647 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cccc(C)c1 ZINC000185505347 384731822 /nfs/dbraw/zinc/73/18/22/384731822.db2.gz AGIXNZTUYIFFKI-JSGCOSHPSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1cccc(NC(=O)N2CCCC[C@H](C)C2)c1 ZINC000185505708 179132609 /nfs/dbraw/zinc/13/26/09/179132609.db2.gz BTKPKDJVYYXHSJ-ZDUSSCGKSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1cccc(NC(=O)N2CCCC[C@@H](C)C2)c1 ZINC000185505729 179130768 /nfs/dbraw/zinc/13/07/68/179130768.db2.gz BTKPKDJVYYXHSJ-CYBMUJFWSA-N 0 0 246.354 3.649 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC000185505931 388588622 /nfs/dbraw/zinc/58/86/22/388588622.db2.gz GGHZJMXGWRFOGA-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H]1CCCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC000185505948 388588436 /nfs/dbraw/zinc/58/84/36/388588436.db2.gz GGHZJMXGWRFOGA-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@H](C)CC(C)C)C1 ZINC000185505968 388588901 /nfs/dbraw/zinc/58/89/01/388588901.db2.gz GGHZJMXGWRFOGA-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H]1CCCN(C(=O)[C@H](C)CC(C)C)C1 ZINC000185505985 388588600 /nfs/dbraw/zinc/58/86/00/388588600.db2.gz GGHZJMXGWRFOGA-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)NC(=O)C1(CC)CCCCC1 ZINC000185506162 388588678 /nfs/dbraw/zinc/58/86/78/388588678.db2.gz OLVCMDHVPZTIAV-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CCSCCOc1cccc(Cl)c1F ZINC000185506209 256854578 /nfs/dbraw/zinc/85/45/78/256854578.db2.gz SSCFEVLSXCPAQQ-UHFFFAOYSA-N 0 0 234.723 3.611 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccccc1C ZINC000185506275 367134390 /nfs/dbraw/zinc/13/43/90/367134390.db2.gz LOQSKZSHXHPKKE-TZMCWYRMSA-N 0 0 246.354 3.647 20 0 BHADRN CC[C@H]1[C@H](C)CCN1C(=O)Nc1ccccc1C ZINC000185506294 367134318 /nfs/dbraw/zinc/13/43/18/367134318.db2.gz LOQSKZSHXHPKKE-OCCSQVGLSA-N 0 0 246.354 3.647 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccccc1C ZINC000185506312 367134260 /nfs/dbraw/zinc/13/42/60/367134260.db2.gz LOQSKZSHXHPKKE-GXTWGEPZSA-N 0 0 246.354 3.647 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1C(=O)Nc1ccccc1C ZINC000185506331 367134526 /nfs/dbraw/zinc/13/45/26/367134526.db2.gz LOQSKZSHXHPKKE-JSGCOSHPSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccccc1NC(=O)N1CCCC[C@H](C)C1 ZINC000185506996 191128336 /nfs/dbraw/zinc/12/83/36/191128336.db2.gz JZMCFQXDXXSRMG-LBPRGKRZSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1ccccc1NC(=O)N1CCCC[C@@H](C)C1 ZINC000185507018 384731600 /nfs/dbraw/zinc/73/16/00/384731600.db2.gz JZMCFQXDXXSRMG-GFCCVEGCSA-N 0 0 246.354 3.649 20 0 BHADRN CCC1(C(=O)N2CCCC[C@@H]2C)CCCCC1 ZINC000185509777 388588263 /nfs/dbraw/zinc/58/82/63/388588263.db2.gz SNKHOEGXGSGUTE-ZDUSSCGKSA-N 0 0 237.387 3.748 20 0 BHADRN CCC1(C(=O)N2CCCC[C@H]2C)CCCCC1 ZINC000185509796 388588292 /nfs/dbraw/zinc/58/82/92/388588292.db2.gz SNKHOEGXGSGUTE-CYBMUJFWSA-N 0 0 237.387 3.748 20 0 BHADRN CC(C)c1ccc(C(=O)Nc2cccnc2)s1 ZINC000185518693 134381696 /nfs/dbraw/zinc/38/16/96/134381696.db2.gz RBWJLYDXNFMWOP-UHFFFAOYSA-N 0 0 246.335 3.519 20 0 BHADRN CCC(CC)Sc1nnc(C(C)(C)C)o1 ZINC000185528814 347203775 /nfs/dbraw/zinc/20/37/75/347203775.db2.gz FODJSYRBCZOHHN-UHFFFAOYSA-N 0 0 228.361 3.648 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccc(C)cc1 ZINC000185529042 171159231 /nfs/dbraw/zinc/15/92/31/171159231.db2.gz LFZKJMVRGBKURV-TZMCWYRMSA-N 0 0 246.354 3.647 20 0 BHADRN CC[C@H]1[C@H](C)CCN1C(=O)Nc1ccc(C)cc1 ZINC000185529060 171687001 /nfs/dbraw/zinc/68/70/01/171687001.db2.gz LFZKJMVRGBKURV-OCCSQVGLSA-N 0 0 246.354 3.647 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(C)cc1 ZINC000185529081 171153935 /nfs/dbraw/zinc/15/39/35/171153935.db2.gz LFZKJMVRGBKURV-GXTWGEPZSA-N 0 0 246.354 3.647 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1C(=O)Nc1ccc(C)cc1 ZINC000185529099 384733953 /nfs/dbraw/zinc/73/39/53/384733953.db2.gz LFZKJMVRGBKURV-JSGCOSHPSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccc(NC(=O)N2CCCC[C@H](C)C2)cc1 ZINC000185529410 384735417 /nfs/dbraw/zinc/73/54/17/384735417.db2.gz NZHYYRXUPQVXQO-ZDUSSCGKSA-N 0 0 246.354 3.649 20 0 BHADRN Cc1ccc(NC(=O)N2CCCC[C@@H](C)C2)cc1 ZINC000185529433 384735019 /nfs/dbraw/zinc/73/50/19/384735019.db2.gz NZHYYRXUPQVXQO-CYBMUJFWSA-N 0 0 246.354 3.649 20 0 BHADRN C[C@H](SCc1ccccc1F)c1cnccn1 ZINC000185530443 388588310 /nfs/dbraw/zinc/58/83/10/388588310.db2.gz YPDVXMXTAWOYTN-JTQLQIEISA-N 0 0 248.326 3.610 20 0 BHADRN C[C@@H](SCc1ccccc1F)c1cnccn1 ZINC000185530461 388588328 /nfs/dbraw/zinc/58/83/28/388588328.db2.gz YPDVXMXTAWOYTN-SNVBAGLBSA-N 0 0 248.326 3.610 20 0 BHADRN C[C@H](SCc1ccc(F)cc1)c1cnccn1 ZINC000185530803 388588402 /nfs/dbraw/zinc/58/84/02/388588402.db2.gz JETPKOMNADMTIL-JTQLQIEISA-N 0 0 248.326 3.610 20 0 BHADRN C[C@@H](SCc1ccc(F)cc1)c1cnccn1 ZINC000185530821 256855355 /nfs/dbraw/zinc/85/53/55/256855355.db2.gz JETPKOMNADMTIL-SNVBAGLBSA-N 0 0 248.326 3.610 20 0 BHADRN Cc1ccc(CS[C@@H](C)c2cnccn2)cc1 ZINC000185531096 178645174 /nfs/dbraw/zinc/64/51/74/178645174.db2.gz ROTRUOTXOVCBLP-LBPRGKRZSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1ccc(CS[C@H](C)c2cnccn2)cc1 ZINC000185531115 384734731 /nfs/dbraw/zinc/73/47/31/384734731.db2.gz ROTRUOTXOVCBLP-GFCCVEGCSA-N 0 0 244.363 3.779 20 0 BHADRN CC/C=C/CCSCc1c(C)noc1C ZINC000185531348 256610966 /nfs/dbraw/zinc/61/09/66/256610966.db2.gz KMZVRKPKTMXJBG-AATRIKPKSA-N 0 0 225.357 3.881 20 0 BHADRN CCC(CC)Sc1nnc(OC(C)C)s1 ZINC000185531571 347203902 /nfs/dbraw/zinc/20/39/02/347203902.db2.gz ROMWQPHPBKOFGE-UHFFFAOYSA-N 0 0 246.401 3.606 20 0 BHADRN Cc1ccccc1SCCOCC1CC1 ZINC000185531850 367134480 /nfs/dbraw/zinc/13/44/80/367134480.db2.gz ULKMYFCUNLSZBP-UHFFFAOYSA-N 0 0 222.353 3.514 20 0 BHADRN C[C@H](SCc1cccc(F)c1)c1cnccn1 ZINC000185532385 388588419 /nfs/dbraw/zinc/58/84/19/388588419.db2.gz RFINWIHWDOANBC-JTQLQIEISA-N 0 0 248.326 3.610 20 0 BHADRN C[C@@H](SCc1cccc(F)c1)c1cnccn1 ZINC000185532402 388588223 /nfs/dbraw/zinc/58/82/23/388588223.db2.gz RFINWIHWDOANBC-SNVBAGLBSA-N 0 0 248.326 3.610 20 0 BHADRN Cc1cccc(CS[C@@H](C)c2cnccn2)c1 ZINC000185534026 179103572 /nfs/dbraw/zinc/10/35/72/179103572.db2.gz JGKWMACIBZOZRW-LBPRGKRZSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1cccc(CS[C@H](C)c2cnccn2)c1 ZINC000185534047 188346609 /nfs/dbraw/zinc/34/66/09/188346609.db2.gz JGKWMACIBZOZRW-GFCCVEGCSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1cccc(SCCOCC2CC2)c1 ZINC000185534387 367134314 /nfs/dbraw/zinc/13/43/14/367134314.db2.gz NLQLVBDSUHQXOB-UHFFFAOYSA-N 0 0 222.353 3.514 20 0 BHADRN CCCC[S@@](=O)Cc1ccc(C(F)F)cc1 ZINC000185534572 535076410 /nfs/dbraw/zinc/07/64/10/535076410.db2.gz OQTOCZXDIFNXNZ-MRXNPFEDSA-N 0 0 246.322 3.673 20 0 BHADRN CCCC[S@](=O)Cc1ccc(C(F)F)cc1 ZINC000185534600 169017160 /nfs/dbraw/zinc/01/71/60/169017160.db2.gz OQTOCZXDIFNXNZ-INIZCTEOSA-N 0 0 246.322 3.673 20 0 BHADRN CCCC(CCC)SCCCn1ccnc1 ZINC000185535569 367134408 /nfs/dbraw/zinc/13/44/08/367134408.db2.gz KJLZKGDMNFBHBM-UHFFFAOYSA-N 0 0 240.416 3.975 20 0 BHADRN c1cn(CCCSCC2CCCCC2)cn1 ZINC000185535669 134381535 /nfs/dbraw/zinc/38/15/35/134381535.db2.gz NNYBQMHTLYCHPC-UHFFFAOYSA-N 0 0 238.400 3.587 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000185535838 388588324 /nfs/dbraw/zinc/58/83/24/388588324.db2.gz OOKCGWSSDRPMGY-MCIONIFRSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000185535858 256855527 /nfs/dbraw/zinc/85/55/27/256855527.db2.gz OOKCGWSSDRPMGY-MJBXVCDLSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000185535874 388588340 /nfs/dbraw/zinc/58/83/40/388588340.db2.gz OOKCGWSSDRPMGY-RDBSUJKOSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000185535890 388588764 /nfs/dbraw/zinc/58/87/64/388588764.db2.gz OOKCGWSSDRPMGY-IHRRRGAJSA-N 0 0 239.403 3.563 20 0 BHADRN CC/C=C/CCSCc1cc(C)on1 ZINC000185538471 167847858 /nfs/dbraw/zinc/84/78/58/167847858.db2.gz KIAVZBKNJWHDOR-SNAWJCMRSA-N 0 0 211.330 3.573 20 0 BHADRN CCCCN(C)C(=O)c1ccc(C(C)C)s1 ZINC000185541736 367136684 /nfs/dbraw/zinc/13/66/84/367136684.db2.gz HZSBSSXFHDAQIR-UHFFFAOYSA-N 0 0 239.384 3.744 20 0 BHADRN CC/C=C/CCSCc1nc(C(C)C)no1 ZINC000185543785 256855814 /nfs/dbraw/zinc/85/58/14/256855814.db2.gz SKKJGTRKQZIBTD-AATRIKPKSA-N 0 0 240.372 3.783 20 0 BHADRN CC/C=C/CCSCc1nc(CCC)no1 ZINC000185543970 388588852 /nfs/dbraw/zinc/58/88/52/388588852.db2.gz KNZAAXJNJCWLLO-AATRIKPKSA-N 0 0 240.372 3.612 20 0 BHADRN CC1CCC(CSC2CCOCC2)CC1 ZINC000185544370 367135481 /nfs/dbraw/zinc/13/54/81/367135481.db2.gz TYNDGHWFFSNNPD-UHFFFAOYSA-N 0 0 228.401 3.725 20 0 BHADRN C[C@@H]1CCC[C@H](CSC2CCOCC2)C1 ZINC000185544399 347204142 /nfs/dbraw/zinc/20/41/42/347204142.db2.gz RGNWUPCFSLVCLT-NEPJUHHUSA-N 0 0 228.401 3.725 20 0 BHADRN C[C@H]1CCC[C@H](CSC2CCOCC2)C1 ZINC000185544419 367136595 /nfs/dbraw/zinc/13/65/95/367136595.db2.gz RGNWUPCFSLVCLT-RYUDHWBXSA-N 0 0 228.401 3.725 20 0 BHADRN C[C@@H]1CCC[C@@H](CSC2CCOCC2)C1 ZINC000185544440 367135490 /nfs/dbraw/zinc/13/54/90/367135490.db2.gz RGNWUPCFSLVCLT-VXGBXAGGSA-N 0 0 228.401 3.725 20 0 BHADRN C[C@H]1CCC[C@@H](CSC2CCOCC2)C1 ZINC000185544461 367136730 /nfs/dbraw/zinc/13/67/30/367136730.db2.gz RGNWUPCFSLVCLT-NWDGAFQWSA-N 0 0 228.401 3.725 20 0 BHADRN CC/C=C/CCSCc1nc(C2CC2)no1 ZINC000185545064 167847487 /nfs/dbraw/zinc/84/74/87/167847487.db2.gz GIWOKABPWBREBF-ONEGZZNKSA-N 0 0 238.356 3.537 20 0 BHADRN CC/C=C/CCSCc1noc(CCC)n1 ZINC000185549833 384736459 /nfs/dbraw/zinc/73/64/59/384736459.db2.gz IUUPALAHVMQAEF-AATRIKPKSA-N 0 0 240.372 3.612 20 0 BHADRN CC/C=C/CCSCc1noc(C(C)C)n1 ZINC000185556276 388588476 /nfs/dbraw/zinc/58/84/76/388588476.db2.gz JJLZZMZUNUKFTH-AATRIKPKSA-N 0 0 240.372 3.783 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000185557783 388588331 /nfs/dbraw/zinc/58/83/31/388588331.db2.gz AMIBZPILAFUMLG-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000185557802 388588711 /nfs/dbraw/zinc/58/87/11/388588711.db2.gz AMIBZPILAFUMLG-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N[C@H]1CC12CCCCC2 ZINC000185557820 388588916 /nfs/dbraw/zinc/58/89/16/388588916.db2.gz AMIBZPILAFUMLG-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@H]1CC12CCCCC2 ZINC000185557840 388588455 /nfs/dbraw/zinc/58/84/55/388588455.db2.gz AMIBZPILAFUMLG-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)Sc1nnc(C2CC2)s1 ZINC000185560543 535088468 /nfs/dbraw/zinc/08/84/68/535088468.db2.gz WCERYJPRDHVTQQ-UHFFFAOYSA-N 0 0 228.386 3.696 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](C)CC(C)C)c1F ZINC000185563014 388588306 /nfs/dbraw/zinc/58/83/06/388588306.db2.gz BNZYJOSFAULJSJ-NSHDSACASA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cccc(NC(=O)[C@H](C)CC(C)C)c1F ZINC000185563034 388588439 /nfs/dbraw/zinc/58/84/39/388588439.db2.gz BNZYJOSFAULJSJ-LLVKDONJSA-N 0 0 237.318 3.755 20 0 BHADRN CC/C=C/CCSCc1noc(C2CC2)n1 ZINC000185565683 167848153 /nfs/dbraw/zinc/84/81/53/167848153.db2.gz SRVDVHQBUDDESP-ONEGZZNKSA-N 0 0 238.356 3.537 20 0 BHADRN CC/C=C/CCSCc1ncc(Cl)n1C ZINC000185566917 634050590 /nfs/dbraw/zinc/05/05/90/634050590.db2.gz CNCYKBJWVOEGNQ-SNAWJCMRSA-N 0 0 244.791 3.663 20 0 BHADRN CC/C=C/CCSCc1nccn1C(F)F ZINC000185567082 384741926 /nfs/dbraw/zinc/74/19/26/384741926.db2.gz HXSAIXOUEYUHDZ-ONEGZZNKSA-N 0 0 246.326 3.868 20 0 BHADRN CCC1(C(=O)N(C)Cc2ccco2)CCCCC1 ZINC000185567163 384740608 /nfs/dbraw/zinc/74/06/08/384740608.db2.gz YNQYLNAGIUHBEF-UHFFFAOYSA-N 0 0 249.354 3.599 20 0 BHADRN CCSCCSCc1ccnc(Cl)c1 ZINC000185573094 384741703 /nfs/dbraw/zinc/74/17/03/384741703.db2.gz PFSZCRILODMNQR-UHFFFAOYSA-N 0 0 247.816 3.721 20 0 BHADRN CCSCCSCc1cccc(Cl)n1 ZINC000185573168 170640372 /nfs/dbraw/zinc/64/03/72/170640372.db2.gz AZSDZCJTGOSJSI-UHFFFAOYSA-N 0 0 247.816 3.721 20 0 BHADRN CCSCCSCc1cccnc1Cl ZINC000185573973 643337881 /nfs/dbraw/zinc/33/78/81/643337881.db2.gz HUTVTWRUFDDUBX-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/53/26/47/175532647.db2.gz HBHKZLLFZIYBHD-UHFFFAOYSA-N 0 0 249.379 3.678 20 0 BHADRN CC/C=C/CCOc1cc(C)ccc1NC(C)=O ZINC000186122177 384820689 /nfs/dbraw/zinc/82/06/89/384820689.db2.gz NKTWFIQGDBHWGJ-AATRIKPKSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C=C/CCOc1ccc(C(C)=O)c(F)c1 ZINC000186124687 363140802 /nfs/dbraw/zinc/14/08/02/363140802.db2.gz PCVPBNVYMSMAFW-SNAWJCMRSA-N 0 0 236.286 3.763 20 0 BHADRN C=C(C)C[C@H](C)C(=O)OCc1sccc1C ZINC000186125943 643449137 /nfs/dbraw/zinc/44/91/37/643449137.db2.gz FHNOPMMOSDYIAV-NSHDSACASA-N 0 0 238.352 3.702 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)OCc1sccc1C ZINC000186125970 643450171 /nfs/dbraw/zinc/45/01/71/643450171.db2.gz FHNOPMMOSDYIAV-LLVKDONJSA-N 0 0 238.352 3.702 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccccc1CSC ZINC000186128489 170683716 /nfs/dbraw/zinc/68/37/16/170683716.db2.gz MCKWPWJOWNRSPM-SNVBAGLBSA-N 0 0 237.368 3.534 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccccc1CSC ZINC000186128507 171255588 /nfs/dbraw/zinc/25/55/88/171255588.db2.gz MCKWPWJOWNRSPM-JTQLQIEISA-N 0 0 237.368 3.534 20 0 BHADRN C=C(C)C[C@H](C)C(=O)Oc1cccc(C)c1F ZINC000186130239 643451941 /nfs/dbraw/zinc/45/19/41/643451941.db2.gz NXBWHIQNQIOCLJ-NSHDSACASA-N 0 0 236.286 3.642 20 0 BHADRN C=C(C)C[C@@H](C)C(=O)Oc1cccc(C)c1F ZINC000186130256 643451353 /nfs/dbraw/zinc/45/13/53/643451353.db2.gz NXBWHIQNQIOCLJ-LLVKDONJSA-N 0 0 236.286 3.642 20 0 BHADRN CSCc1ccccc1NC(=O)CC1CCC1 ZINC000186136120 387071825 /nfs/dbraw/zinc/07/18/25/387071825.db2.gz ZNGGGGSGOSGPML-UHFFFAOYSA-N 0 0 249.379 3.678 20 0 BHADRN CSCc1ccccc1NC(=O)[C@@H](C)C1CC1 ZINC000186136238 384820365 /nfs/dbraw/zinc/82/03/65/384820365.db2.gz KXAOJTLDQFZZAY-JTQLQIEISA-N 0 0 249.379 3.534 20 0 BHADRN CSCc1ccccc1NC(=O)[C@H](C)C1CC1 ZINC000186136252 384820539 /nfs/dbraw/zinc/82/05/39/384820539.db2.gz KXAOJTLDQFZZAY-SNVBAGLBSA-N 0 0 249.379 3.534 20 0 BHADRN CC(C)c1ccc(C(=O)N[C@H]2C=CCCC2)s1 ZINC000186143408 346494700 /nfs/dbraw/zinc/49/47/00/346494700.db2.gz AMEPBUKMTZZWPV-NSHDSACASA-N 0 0 249.379 3.710 20 0 BHADRN CC(C)c1ccc(C(=O)N[C@@H]2C=CCCC2)s1 ZINC000186143421 346494781 /nfs/dbraw/zinc/49/47/81/346494781.db2.gz AMEPBUKMTZZWPV-LLVKDONJSA-N 0 0 249.379 3.710 20 0 BHADRN CSCc1ccccc1NC(=O)[C@H]1CC1(C)C ZINC000186144350 384826529 /nfs/dbraw/zinc/82/65/29/384826529.db2.gz FSSRVLRIHGTSIU-LLVKDONJSA-N 0 0 249.379 3.534 20 0 BHADRN C[C@@H](C1CC1)N(C(=O)C1=CCCCCC1)C1CC1 ZINC000186145300 324182775 /nfs/dbraw/zinc/18/27/75/324182775.db2.gz LMOWANPHVHLRAT-LBPRGKRZSA-N 0 0 247.382 3.666 20 0 BHADRN C[C@H](C1CC1)N(C(=O)C1=CCCCCC1)C1CC1 ZINC000186145319 324182356 /nfs/dbraw/zinc/18/23/56/324182356.db2.gz LMOWANPHVHLRAT-GFCCVEGCSA-N 0 0 247.382 3.666 20 0 BHADRN CCCCC(=O)Nc1ccccc1CSC ZINC000186151875 384825767 /nfs/dbraw/zinc/82/57/67/384825767.db2.gz NZBJGXCXARJHBZ-UHFFFAOYSA-N 0 0 237.368 3.678 20 0 BHADRN C/C=C/C=C/C(=O)Nc1ccccc1CSC ZINC000186154399 324182906 /nfs/dbraw/zinc/18/29/06/324182906.db2.gz QXAVRQJCUQEUEF-COBAKMAKSA-N 0 0 247.363 3.620 20 0 BHADRN CSCc1ccccc1NC(=O)C1=CCCC1 ZINC000186157739 387074977 /nfs/dbraw/zinc/07/49/77/387074977.db2.gz JBCTYAHLKAGZCP-UHFFFAOYSA-N 0 0 247.363 3.598 20 0 BHADRN CC/C=C/CCSc1nnc(C2CC2)s1 ZINC000186163557 384824550 /nfs/dbraw/zinc/82/45/50/384824550.db2.gz LUIWKHUUKIIBRU-ONEGZZNKSA-N 0 0 240.397 3.864 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000186165304 167836275 /nfs/dbraw/zinc/83/62/75/167836275.db2.gz NTGBVFUNLMZHCO-SBKJXLNCSA-N 0 0 249.379 3.598 20 0 BHADRN CC/C=C(\C)C(=O)N[C@H]1CCCc2sccc21 ZINC000186165324 384824247 /nfs/dbraw/zinc/82/42/47/384824247.db2.gz NTGBVFUNLMZHCO-DJTWPOEFSA-N 0 0 249.379 3.598 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000186181828 179041954 /nfs/dbraw/zinc/04/19/54/179041954.db2.gz UXVWILVLTMYQJK-BBRMVZONSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000186181849 179042326 /nfs/dbraw/zinc/04/23/26/179042326.db2.gz UXVWILVLTMYQJK-CJNGLKHVSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000186181872 179042701 /nfs/dbraw/zinc/04/27/01/179042701.db2.gz UXVWILVLTMYQJK-XJKSGUPXSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000186181891 179042221 /nfs/dbraw/zinc/04/22/21/179042221.db2.gz UXVWILVLTMYQJK-CZUORRHYSA-N 0 0 245.366 3.924 20 0 BHADRN CCN(C(=O)C1=CCCCCC1)C1CCCC1 ZINC000186189836 346496803 /nfs/dbraw/zinc/49/68/03/346496803.db2.gz LUKLVTIUALSHEX-UHFFFAOYSA-N 0 0 235.371 3.668 20 0 BHADRN CC(C)C1(C)CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000186193756 385752434 /nfs/dbraw/zinc/75/24/34/385752434.db2.gz XGQXXOVTKHWONP-AWEZNQCLSA-N 0 0 246.398 3.901 20 0 BHADRN CC(C)C1(C)CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000186193774 385751881 /nfs/dbraw/zinc/75/18/81/385751881.db2.gz XGQXXOVTKHWONP-CQSZACIVSA-N 0 0 246.398 3.901 20 0 BHADRN CCN(C(=O)C[C@H]1C=CCCC1)c1ccccc1 ZINC000186216222 388597959 /nfs/dbraw/zinc/59/79/59/388597959.db2.gz HKRGBTGATBGREC-AWEZNQCLSA-N 0 0 243.350 3.786 20 0 BHADRN CCN(C(=O)C[C@@H]1C=CCCC1)c1ccccc1 ZINC000186216241 388598037 /nfs/dbraw/zinc/59/80/37/388598037.db2.gz HKRGBTGATBGREC-CQSZACIVSA-N 0 0 243.350 3.786 20 0 BHADRN CC1CCC(N(C)C(=O)C[C@H]2C=CCCC2)CC1 ZINC000186238434 256863587 /nfs/dbraw/zinc/86/35/87/256863587.db2.gz AHXGLYBUEHAQNN-SLTAFYQDSA-N 0 0 249.398 3.770 20 0 BHADRN CC1CCC(N(C)C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000186238451 388597480 /nfs/dbraw/zinc/59/74/80/388597480.db2.gz AHXGLYBUEHAQNN-SHARSMKWSA-N 0 0 249.398 3.770 20 0 BHADRN COc1ccsc1[C@H](C)Nc1cc(C)ccn1 ZINC000186241120 175380776 /nfs/dbraw/zinc/38/07/76/175380776.db2.gz LCBPHOSNBRFXHF-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccsc1[C@@H](C)Nc1cc(C)ccn1 ZINC000186241141 175379399 /nfs/dbraw/zinc/37/93/99/175379399.db2.gz LCBPHOSNBRFXHF-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN CCC[C@H](Nc1cc(C)ccn1)c1cccnc1 ZINC000186242652 346498500 /nfs/dbraw/zinc/49/85/00/346498500.db2.gz TWTUSRNELANMBJ-AWEZNQCLSA-N 0 0 241.338 3.738 20 0 BHADRN CCC[C@@H](Nc1cc(C)ccn1)c1cccnc1 ZINC000186242670 346498528 /nfs/dbraw/zinc/49/85/28/346498528.db2.gz TWTUSRNELANMBJ-CQSZACIVSA-N 0 0 241.338 3.738 20 0 BHADRN C=Cc1ccc(C(=O)N2CCCC[C@@H](C)C2)cc1 ZINC000186244624 346499025 /nfs/dbraw/zinc/49/90/25/346499025.db2.gz ZOGBXEYYXLFZOJ-CYBMUJFWSA-N 0 0 243.350 3.592 20 0 BHADRN C=Cc1ccc(C(=O)N2CCCC[C@H](C)C2)cc1 ZINC000186244642 346499184 /nfs/dbraw/zinc/49/91/84/346499184.db2.gz ZOGBXEYYXLFZOJ-ZDUSSCGKSA-N 0 0 243.350 3.592 20 0 BHADRN Cc1cc(C)c(NCc2cccnc2C)c(C)c1 ZINC000186252547 387082527 /nfs/dbraw/zinc/08/25/27/387082527.db2.gz IKGMVABEMPUGEJ-UHFFFAOYSA-N 0 0 240.350 3.927 20 0 BHADRN COc1ccsc1[C@H](C)Nc1ccc(C)nc1 ZINC000186255482 175380463 /nfs/dbraw/zinc/38/04/63/175380463.db2.gz OLHNCVJSWSIHLA-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccsc1[C@@H](C)Nc1ccc(C)nc1 ZINC000186255495 175379429 /nfs/dbraw/zinc/37/94/29/175379429.db2.gz OLHNCVJSWSIHLA-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000186261481 256863187 /nfs/dbraw/zinc/86/31/87/256863187.db2.gz WRMPLRLOVPIKAL-INWMFGNUSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000186261500 256863223 /nfs/dbraw/zinc/86/32/23/256863223.db2.gz WRMPLRLOVPIKAL-XPKDYRNWSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000186261519 388598369 /nfs/dbraw/zinc/59/83/69/388598369.db2.gz WRMPLRLOVPIKAL-IVMMDQJWSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000186261539 388599212 /nfs/dbraw/zinc/59/92/12/388599212.db2.gz WRMPLRLOVPIKAL-XNRPHZJLSA-N 0 0 245.366 3.546 20 0 BHADRN Cc1cc(N(C)C)cc(C)c1NCc1ccco1 ZINC000186266712 178094679 /nfs/dbraw/zinc/09/46/79/178094679.db2.gz TUURXYMDMQYGHE-UHFFFAOYSA-N 0 0 244.338 3.575 20 0 BHADRN C=Cc1ccc(C(=O)N2CC[C@@H](C)[C@H]2CC)cc1 ZINC000186321417 388599108 /nfs/dbraw/zinc/59/91/08/388599108.db2.gz WTYWPPCLHLIIKH-IUODEOHRSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2CC)cc1 ZINC000186321432 388599069 /nfs/dbraw/zinc/59/90/69/388599069.db2.gz WTYWPPCLHLIIKH-DOMZBBRYSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2CC[C@H](C)[C@H]2CC)cc1 ZINC000186321450 322820359 /nfs/dbraw/zinc/82/03/59/322820359.db2.gz WTYWPPCLHLIIKH-SWLSCSKDSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]2CC)cc1 ZINC000186321468 388599024 /nfs/dbraw/zinc/59/90/24/388599024.db2.gz WTYWPPCLHLIIKH-WFASDCNBSA-N 0 0 243.350 3.590 20 0 BHADRN CN(C(=O)C[C@H]1C=CCCC1)C1CCCCCC1 ZINC000186343856 388598616 /nfs/dbraw/zinc/59/86/16/388598616.db2.gz XOQXAFJSBGYNJG-AWEZNQCLSA-N 0 0 249.398 3.914 20 0 BHADRN CN(C(=O)C[C@@H]1C=CCCC1)C1CCCCCC1 ZINC000186343873 384350667 /nfs/dbraw/zinc/35/06/67/384350667.db2.gz XOQXAFJSBGYNJG-CQSZACIVSA-N 0 0 249.398 3.914 20 0 BHADRN CCC[C@H](Nc1ccc(C)nc1)c1cccnc1 ZINC000186346296 384835900 /nfs/dbraw/zinc/83/59/00/384835900.db2.gz YXRWDSJFCYDVJQ-HNNXBMFYSA-N 0 0 241.338 3.738 20 0 BHADRN CCC[C@@H](Nc1ccc(C)nc1)c1cccnc1 ZINC000186346312 169403936 /nfs/dbraw/zinc/40/39/36/169403936.db2.gz YXRWDSJFCYDVJQ-OAHLLOKOSA-N 0 0 241.338 3.738 20 0 BHADRN CC/C=C/CCSC1=N[C@H](C)CS1 ZINC000186357332 385755761 /nfs/dbraw/zinc/75/57/61/385755761.db2.gz JUQUFJBOQPANMA-XNPJLODASA-N 0 0 215.387 3.567 20 0 BHADRN CC/C=C/CCSC1=N[C@@H](C)CS1 ZINC000186357351 385756098 /nfs/dbraw/zinc/75/60/98/385756098.db2.gz JUQUFJBOQPANMA-MOVJSRMASA-N 0 0 215.387 3.567 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)Nc1ccccc1 ZINC000186358461 384839121 /nfs/dbraw/zinc/83/91/21/384839121.db2.gz VBYAZPQDNQKIKC-CQSZACIVSA-N 0 0 246.354 3.873 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)Nc1ccccc1 ZINC000186358478 384839591 /nfs/dbraw/zinc/83/95/91/384839591.db2.gz VBYAZPQDNQKIKC-AWEZNQCLSA-N 0 0 246.354 3.873 20 0 BHADRN Cc1ccc(CSC2CCCC2)c(C)n1 ZINC000186363718 347231934 /nfs/dbraw/zinc/23/19/34/347231934.db2.gz GNBZCYWPMYBVQP-UHFFFAOYSA-N 0 0 221.369 3.874 20 0 BHADRN CC(C)C(=O)O[C@@H](C)c1cccc(Cl)c1F ZINC000186364545 643686712 /nfs/dbraw/zinc/68/67/12/643686712.db2.gz PPINMMGYDGOZDS-QMMMGPOBSA-N 0 0 244.693 3.739 20 0 BHADRN CC(C)C(=O)O[C@H](C)c1cccc(Cl)c1F ZINC000186364566 643687339 /nfs/dbraw/zinc/68/73/39/643687339.db2.gz PPINMMGYDGOZDS-MRVPVSSYSA-N 0 0 244.693 3.739 20 0 BHADRN CCCCC(=O)N1Cc2ccccc2C[C@@H]1CC ZINC000186372812 384838237 /nfs/dbraw/zinc/83/82/37/384838237.db2.gz QYZYOOFWCBYXNY-HNNXBMFYSA-N 0 0 245.366 3.540 20 0 BHADRN CCCCC(=O)N1Cc2ccccc2C[C@H]1CC ZINC000186372827 384840180 /nfs/dbraw/zinc/84/01/80/384840180.db2.gz QYZYOOFWCBYXNY-OAHLLOKOSA-N 0 0 245.366 3.540 20 0 BHADRN CCN(C(=O)C[C@H]1C=CCCC1)C1CCCCC1 ZINC000186376859 388598488 /nfs/dbraw/zinc/59/84/88/388598488.db2.gz IAMMNNMIOIHJFG-AWEZNQCLSA-N 0 0 249.398 3.914 20 0 BHADRN CCN(C(=O)C[C@@H]1C=CCCC1)C1CCCCC1 ZINC000186376873 388599686 /nfs/dbraw/zinc/59/96/86/388599686.db2.gz IAMMNNMIOIHJFG-CQSZACIVSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@H](NC(=O)C1=CCCCCC1)C1CCCC1 ZINC000186379130 385758180 /nfs/dbraw/zinc/75/81/80/385758180.db2.gz SJHKKHCZIUVOQC-LBPRGKRZSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@@H](NC(=O)C1=CCCCCC1)C1CCCC1 ZINC000186379151 385758680 /nfs/dbraw/zinc/75/86/80/385758680.db2.gz 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C[C@@H]1CCC[C@H](C)N1C(=O)C[C@H]1C=CCCC1 ZINC000186444343 256863870 /nfs/dbraw/zinc/86/38/70/256863870.db2.gz KGTMLMKRDVHOJA-MJBXVCDLSA-N 0 0 235.371 3.522 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N1C(=O)C[C@H]1C=CCCC1 ZINC000186444365 388600277 /nfs/dbraw/zinc/60/02/77/388600277.db2.gz KGTMLMKRDVHOJA-MCIONIFRSA-N 0 0 235.371 3.522 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H](C)CCC2CC2)c1 ZINC000186446825 187655939 /nfs/dbraw/zinc/65/59/39/187655939.db2.gz ZVSUKNVEUASWOD-NSHDSACASA-N 0 0 246.354 3.636 20 0 BHADRN CC(=O)Nc1cccc(N[C@H](C)CCC2CC2)c1 ZINC000186446836 188000211 /nfs/dbraw/zinc/00/02/11/188000211.db2.gz ZVSUKNVEUASWOD-LLVKDONJSA-N 0 0 246.354 3.636 20 0 BHADRN COc1ccc(N[C@@H](C)CCC2CC2)cc1OC ZINC000186447176 643758185 /nfs/dbraw/zinc/75/81/85/643758185.db2.gz CWEVCKVGPARHLW-NSHDSACASA-N 0 0 249.354 3.694 20 0 BHADRN COc1ccc(N[C@H](C)CCC2CC2)cc1OC ZINC000186447192 634074609 /nfs/dbraw/zinc/07/46/09/634074609.db2.gz CWEVCKVGPARHLW-LLVKDONJSA-N 0 0 249.354 3.694 20 0 BHADRN 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Cc1cc(C(=O)Nc2ccc(C)cc2Cl)co1 ZINC000186974470 346551565 /nfs/dbraw/zinc/55/15/65/346551565.db2.gz IXUXBJBKTULDLH-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)co1 ZINC000186981364 398080845 /nfs/dbraw/zinc/08/08/45/398080845.db2.gz PIORUMJPZLETSK-UHFFFAOYSA-N 0 0 243.306 3.964 20 0 BHADRN CO[C@@H]1CCCc2c(C)c3c(C)cccc3nc21 ZINC000186985352 538975396 /nfs/dbraw/zinc/97/53/96/538975396.db2.gz APIATUUNNCJUAK-CQSZACIVSA-N 0 0 241.334 3.875 20 0 BHADRN CO[C@H]1CCCc2c(C)c3c(C)cccc3nc21 ZINC000186985367 538975509 /nfs/dbraw/zinc/97/55/09/538975509.db2.gz APIATUUNNCJUAK-AWEZNQCLSA-N 0 0 241.334 3.875 20 0 BHADRN Cc1noc(C)c1-c1csc(-c2ccco2)n1 ZINC000186994303 387159364 /nfs/dbraw/zinc/15/93/64/387159364.db2.gz KFEZBKSHXONAEG-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN Cc1noc(C)c1-c1csc(-c2ccoc2)n1 ZINC000187003228 387151262 /nfs/dbraw/zinc/15/12/62/387151262.db2.gz NCMGKDPLRAXBSN-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN Cc1noc(C)c1-c1csc(C2CCC2)n1 ZINC000187005649 384903013 /nfs/dbraw/zinc/90/30/13/384903013.db2.gz KAAIAKUQDPGUMK-UHFFFAOYSA-N 0 0 234.324 3.682 20 0 BHADRN CC1(NC(=O)C[C@H]2C=CCCC2)CCCCC1 ZINC000187041150 388605884 /nfs/dbraw/zinc/60/58/84/388605884.db2.gz MFVFOCVUVRCMNN-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN CC1(NC(=O)C[C@@H]2C=CCCC2)CCCCC1 ZINC000187041165 388606296 /nfs/dbraw/zinc/60/62/96/388606296.db2.gz MFVFOCVUVRCMNN-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN COCC[C@H](C)Nc1cccc(C(C)(F)F)c1 ZINC000187044454 174408886 /nfs/dbraw/zinc/40/88/86/174408886.db2.gz HUUQDWIGGATDAO-JTQLQIEISA-N 0 0 243.297 3.635 20 0 BHADRN COCC[C@@H](C)Nc1cccc(C(C)(F)F)c1 ZINC000187044472 174386456 /nfs/dbraw/zinc/38/64/56/174386456.db2.gz HUUQDWIGGATDAO-SNVBAGLBSA-N 0 0 243.297 3.635 20 0 BHADRN CCCC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000187044963 388606056 /nfs/dbraw/zinc/60/60/56/388606056.db2.gz DYXZWWNRIMQGOI-OAHLLOKOSA-N 0 0 245.366 3.714 20 0 BHADRN CCCC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000187044983 388606182 /nfs/dbraw/zinc/60/61/82/388606182.db2.gz DYXZWWNRIMQGOI-HNNXBMFYSA-N 0 0 245.366 3.714 20 0 BHADRN Cc1cc(C(=O)Nc2cc(Cl)ccc2C)co1 ZINC000187045023 386252885 /nfs/dbraw/zinc/25/28/85/386252885.db2.gz IJDUGUUGWIVGQJ-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN CCC(CC)[S@@](=O)Cc1ccc(F)cc1C ZINC000187072525 346553648 /nfs/dbraw/zinc/55/36/48/346553648.db2.gz DUEQEUNHUCUXIG-INIZCTEOSA-N 0 0 242.359 3.571 20 0 BHADRN CCC(CC)[S@](=O)Cc1ccc(F)cc1C ZINC000187072541 346554126 /nfs/dbraw/zinc/55/41/26/346554126.db2.gz DUEQEUNHUCUXIG-MRXNPFEDSA-N 0 0 242.359 3.571 20 0 BHADRN CCCCC[S@@](=O)Cc1ccc(F)cc1C ZINC000187080068 346553862 /nfs/dbraw/zinc/55/38/62/346553862.db2.gz TYTXAVQRADGYIS-MRXNPFEDSA-N 0 0 242.359 3.573 20 0 BHADRN CCCCC[S@](=O)Cc1ccc(F)cc1C ZINC000187080083 347249402 /nfs/dbraw/zinc/24/94/02/347249402.db2.gz TYTXAVQRADGYIS-INIZCTEOSA-N 0 0 242.359 3.573 20 0 BHADRN O=c1c2ccccc2ccn1CCC1CCCC1 ZINC000187096623 386334482 /nfs/dbraw/zinc/33/44/82/386334482.db2.gz QJPFAWCPVQVJBO-UHFFFAOYSA-N 0 0 241.334 3.582 20 0 BHADRN CCCC[S@@](=O)CCCCc1ccccc1 ZINC000187100447 535076038 /nfs/dbraw/zinc/07/60/38/535076038.db2.gz RYEVUJSEXQCOTD-MRXNPFEDSA-N 0 0 238.396 3.558 20 0 BHADRN CCCC[S@](=O)CCCCc1ccccc1 ZINC000187100467 387170540 /nfs/dbraw/zinc/17/05/40/387170540.db2.gz RYEVUJSEXQCOTD-INIZCTEOSA-N 0 0 238.396 3.558 20 0 BHADRN Cc1noc(C)c1CSCCC(C)(C)C ZINC000187106780 346553324 /nfs/dbraw/zinc/55/33/24/346553324.db2.gz YFLJOWRCCVFYOS-UHFFFAOYSA-N 0 0 227.373 3.961 20 0 BHADRN Cc1cc(C(=O)N[C@@H](C)CCC(C)(C)C)co1 ZINC000187125395 387166581 /nfs/dbraw/zinc/16/65/81/387166581.db2.gz SFLIXSFQXLOIHC-JTQLQIEISA-N 0 0 237.343 3.533 20 0 BHADRN Cc1cc(C(=O)N[C@H](C)CCC(C)(C)C)co1 ZINC000187125409 387168451 /nfs/dbraw/zinc/16/84/51/387168451.db2.gz SFLIXSFQXLOIHC-SNVBAGLBSA-N 0 0 237.343 3.533 20 0 BHADRN CCCCCCn1nccc1-c1cccnc1 ZINC000187134803 644320236 /nfs/dbraw/zinc/32/02/36/644320236.db2.gz VXCGGKFKTRQOCA-UHFFFAOYSA-N 0 0 229.327 3.525 20 0 BHADRN c1cc(-c2cccnc2)n(CCC2CCCC2)n1 ZINC000187134968 256620698 /nfs/dbraw/zinc/62/06/98/256620698.db2.gz WQUKHRKEJFCSDL-UHFFFAOYSA-N 0 0 241.338 3.525 20 0 BHADRN CCCCCCn1nccc1-c1ccncc1 ZINC000187139635 644333175 /nfs/dbraw/zinc/33/31/75/644333175.db2.gz RFGFHXXFFFFNMZ-UHFFFAOYSA-N 0 0 229.327 3.525 20 0 BHADRN c1cc(-c2ccncc2)n(CCC2CCCC2)n1 ZINC000187139751 256620495 /nfs/dbraw/zinc/62/04/95/256620495.db2.gz PGQPIVJGSIDTBP-UHFFFAOYSA-N 0 0 241.338 3.525 20 0 BHADRN CC(=O)Nc1ccc(C)cc1OCCC(C)(C)C ZINC000187140101 346555585 /nfs/dbraw/zinc/55/55/85/346555585.db2.gz BOZKPLJAAIFULP-UHFFFAOYSA-N 0 0 249.354 3.768 20 0 BHADRN CC(=O)c1ccc(OCCC(C)(C)C)cc1F ZINC000187140936 256620557 /nfs/dbraw/zinc/62/05/57/256620557.db2.gz NZDDWNOEZGZLQZ-UHFFFAOYSA-N 0 0 238.302 3.843 20 0 BHADRN CCCCCCn1ccc(=O)c2ccccc21 ZINC000187149086 384916541 /nfs/dbraw/zinc/91/65/41/384916541.db2.gz DOBFBGIGZQSREP-UHFFFAOYSA-N 0 0 229.323 3.582 20 0 BHADRN O=c1ccn(CCC2CCCC2)c2ccccc12 ZINC000187149229 183004184 /nfs/dbraw/zinc/00/41/84/183004184.db2.gz VMOODYQCVMILCW-UHFFFAOYSA-N 0 0 241.334 3.582 20 0 BHADRN CCCc1cccc(C[NH2+]Cc2ccoc2)c1 ZINC000187157490 384916079 /nfs/dbraw/zinc/91/60/79/384916079.db2.gz VONFOILKIKCIGW-UHFFFAOYSA-N 0 0 229.323 3.522 20 0 BHADRN Cc1cc(C(=O)O[C@@H](C)c2ccccc2)co1 ZINC000187168144 644439523 /nfs/dbraw/zinc/43/95/23/644439523.db2.gz ISMYACSKHANTNH-NSHDSACASA-N 0 0 230.263 3.506 20 0 BHADRN Cc1cc(C(=O)O[C@H](C)c2ccccc2)co1 ZINC000187168162 644439437 /nfs/dbraw/zinc/43/94/37/644439437.db2.gz ISMYACSKHANTNH-LLVKDONJSA-N 0 0 230.263 3.506 20 0 BHADRN CCC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000187173268 168238603 /nfs/dbraw/zinc/23/86/03/168238603.db2.gz JTXKPRBBQXOQIB-SSDOTTSWSA-N 0 0 246.137 3.581 20 0 BHADRN CC(C)(C)CCOc1ccccc1-c1nnco1 ZINC000187180240 538976030 /nfs/dbraw/zinc/97/60/30/538976030.db2.gz BEIWBUORIUPWJD-UHFFFAOYSA-N 0 0 246.310 3.552 20 0 BHADRN CCCCCCn1nc(C2CC2)nc1C1CC1 ZINC000187184812 644492744 /nfs/dbraw/zinc/49/27/44/644492744.db2.gz SVARDWYSQGXUSZ-UHFFFAOYSA-N 0 0 233.359 3.613 20 0 BHADRN C(Cn1nc(C2CC2)nc1C1CC1)C1CCCC1 ZINC000187184988 386490650 /nfs/dbraw/zinc/49/06/50/386490650.db2.gz JTVBRYLECYAOHH-UHFFFAOYSA-N 0 0 245.370 3.613 20 0 BHADRN CCCC(=O)N1CCCSc2cc(C)ccc21 ZINC000187211790 384924296 /nfs/dbraw/zinc/92/42/96/384924296.db2.gz GTSHSIASZCELOV-UHFFFAOYSA-N 0 0 249.379 3.624 20 0 BHADRN c1csc(-c2ccccc2OCC2CCC2)n1 ZINC000187212452 386498371 /nfs/dbraw/zinc/49/83/71/386498371.db2.gz MDGJBSBNQPXXLP-UHFFFAOYSA-N 0 0 245.347 3.989 20 0 BHADRN Cc1cc(C(=O)Nc2cccc(C(C)C)c2)co1 ZINC000187213283 386499220 /nfs/dbraw/zinc/49/92/20/386499220.db2.gz FPNPORQZWQZGGE-UHFFFAOYSA-N 0 0 243.306 3.964 20 0 BHADRN CCCc1ccc(NC(=O)c2coc(C)c2)cc1 ZINC000187213800 634100801 /nfs/dbraw/zinc/10/08/01/634100801.db2.gz QEXUJTJQTAHFMF-UHFFFAOYSA-N 0 0 243.306 3.793 20 0 BHADRN CCCCOc1ccccc1-c1nccs1 ZINC000187219314 205742979 /nfs/dbraw/zinc/74/29/79/205742979.db2.gz MJQLAERKSHPFSI-UHFFFAOYSA-N 0 0 233.336 3.989 20 0 BHADRN CCCOc1ccccc1-c1nccs1 ZINC000187219366 169327054 /nfs/dbraw/zinc/32/70/54/169327054.db2.gz QCARXDVYHWUTBH-UHFFFAOYSA-N 0 0 219.309 3.599 20 0 BHADRN CC[C@@H](C)N(C(=O)[C@@H]1C[C@@H]1C(C)C)[C@@H](C)CC ZINC000187221669 388607235 /nfs/dbraw/zinc/60/72/35/388607235.db2.gz YRPZRBVZFRLTCU-XJFOESAGSA-N 0 0 239.403 3.704 20 0 BHADRN CC[C@H](C)N(C(=O)[C@@H]1C[C@@H]1C(C)C)[C@@H](C)CC ZINC000187221685 388607383 /nfs/dbraw/zinc/60/73/83/388607383.db2.gz YRPZRBVZFRLTCU-IGQOVBAYSA-N 0 0 239.403 3.704 20 0 BHADRN CCN(C(=O)C[C@H]1C=CCCC1)[C@@H](C)C(C)C ZINC000187228763 259516647 /nfs/dbraw/zinc/51/66/47/259516647.db2.gz QDWJLGCZSVUYMP-KBPBESRZSA-N 0 0 237.387 3.626 20 0 BHADRN CCN(C(=O)C[C@H]1C=CCCC1)[C@H](C)C(C)C ZINC000187228784 388607819 /nfs/dbraw/zinc/60/78/19/388607819.db2.gz QDWJLGCZSVUYMP-KGLIPLIRSA-N 0 0 237.387 3.626 20 0 BHADRN CCN(C(=O)C[C@@H]1C=CCCC1)[C@@H](C)C(C)C ZINC000187228800 388607604 /nfs/dbraw/zinc/60/76/04/388607604.db2.gz QDWJLGCZSVUYMP-UONOGXRCSA-N 0 0 237.387 3.626 20 0 BHADRN CCN(C(=O)C[C@@H]1C=CCCC1)[C@H](C)C(C)C ZINC000187228818 259516433 /nfs/dbraw/zinc/51/64/33/259516433.db2.gz QDWJLGCZSVUYMP-ZIAGYGMSSA-N 0 0 237.387 3.626 20 0 BHADRN CSc1cccc(NC(=O)c2coc(C)c2)c1 ZINC000187243308 346562927 /nfs/dbraw/zinc/56/29/27/346562927.db2.gz SRBDMFLYHQNPOM-UHFFFAOYSA-N 0 0 247.319 3.562 20 0 BHADRN CC(=O)Nc1cccc(NCCC(C)(C)C)c1C ZINC000187251613 386503154 /nfs/dbraw/zinc/50/31/54/386503154.db2.gz PLLQAOOBAJUDHQ-UHFFFAOYSA-N 0 0 248.370 3.802 20 0 BHADRN CC(=O)Nc1ccc(C)cc1NCCC(C)(C)C ZINC000187277135 386514172 /nfs/dbraw/zinc/51/41/72/386514172.db2.gz ILYQYUDCWAPQCU-UHFFFAOYSA-N 0 0 248.370 3.802 20 0 BHADRN Cc1coc2ccc(NC(=O)C3CC=CC3)cc12 ZINC000187294585 384929795 /nfs/dbraw/zinc/92/97/95/384929795.db2.gz ZWSPJMFYSYPCIA-UHFFFAOYSA-N 0 0 241.290 3.646 20 0 BHADRN Cc1coc2ccc(NC(=O)[C@@H](C)C(C)C)cc12 ZINC000187299166 388607268 /nfs/dbraw/zinc/60/72/68/388607268.db2.gz QCSULTZYTSUEGY-NSHDSACASA-N 0 0 245.322 3.972 20 0 BHADRN Cc1coc2ccc(NC(=O)[C@H](C)C(C)C)cc12 ZINC000187299184 259516440 /nfs/dbraw/zinc/51/64/40/259516440.db2.gz QCSULTZYTSUEGY-LLVKDONJSA-N 0 0 245.322 3.972 20 0 BHADRN Cc1coc2ccc(NC(=O)CC3CCC3)cc12 ZINC000187300378 387188128 /nfs/dbraw/zinc/18/81/28/387188128.db2.gz AKLDZIUYLXRZCD-UHFFFAOYSA-N 0 0 243.306 3.870 20 0 BHADRN Cc1coc2ccc(NC(=O)c3ccco3)cc12 ZINC000187304062 387182919 /nfs/dbraw/zinc/18/29/19/387182919.db2.gz FJHABRFRSISCCP-UHFFFAOYSA-N 0 0 241.246 3.587 20 0 BHADRN CC(C)(C)CCNc1ccc2c(c1)COC2 ZINC000187305765 205741047 /nfs/dbraw/zinc/74/10/47/205741047.db2.gz ONSKQOPRPQDYHY-UHFFFAOYSA-N 0 0 219.328 3.565 20 0 BHADRN Cc1coc2ccc(NC(=O)c3ccoc3)cc12 ZINC000187307775 387181842 /nfs/dbraw/zinc/18/18/42/387181842.db2.gz LIDDVPHDHPITLG-UHFFFAOYSA-N 0 0 241.246 3.587 20 0 BHADRN Cc1coc2ccc(NC(=O)CC(C)C)cc12 ZINC000187309169 387181028 /nfs/dbraw/zinc/18/10/28/387181028.db2.gz JKTGBCQKQJHKKJ-UHFFFAOYSA-N 0 0 231.295 3.726 20 0 BHADRN C[C@H](Nc1ccccc1)C1CCSCC1 ZINC000187309576 386520333 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NWJYIKUVXXRAMY-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000187324193 259517132 /nfs/dbraw/zinc/51/71/32/259517132.db2.gz NWJYIKUVXXRAMY-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000187324216 259516919 /nfs/dbraw/zinc/51/69/19/259516919.db2.gz NWJYIKUVXXRAMY-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CSc1ccc(OC(=O)c2coc(C)c2)cc1 ZINC000187326322 646593896 /nfs/dbraw/zinc/59/38/96/646593896.db2.gz YEQQIHCTGPNJGP-UHFFFAOYSA-N 0 0 248.303 3.529 20 0 BHADRN CC(C)=CC(=O)Nc1ccc2occ(C)c2c1 ZINC000187330437 646607343 /nfs/dbraw/zinc/60/73/43/646607343.db2.gz NELDQJWSSOKJEM-UHFFFAOYSA-N 0 0 229.279 3.646 20 0 BHADRN Cc1cc(C(=O)Nc2ccc(Cl)cc2C)co1 ZINC000187333749 205741822 /nfs/dbraw/zinc/74/18/22/205741822.db2.gz NOJMPXYZMRBWFE-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN Cc1csc(SC[C@@H]2CCC(C)(C)O2)n1 ZINC000187336718 384937725 /nfs/dbraw/zinc/93/77/25/384937725.db2.gz MSXFTZGLYIHRQD-VIFPVBQESA-N 0 0 243.397 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ZINC000188256850 641751435 /nfs/dbraw/zinc/75/14/35/641751435.db2.gz LNHDDSUFUFSMFX-UHFFFAOYSA-N 0 0 234.295 3.735 20 0 BHADRN C/C=C(\CC)C(=O)Nc1c(C)cccc1C ZINC000188264707 385031929 /nfs/dbraw/zinc/03/19/29/385031929.db2.gz HCRREOKMNUAJJB-LFYBBSHMSA-N 0 0 217.312 3.598 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)N1CCC[C@H]2CCC[C@@H]21 ZINC000188272351 259403951 /nfs/dbraw/zinc/40/39/51/259403951.db2.gz RRXQOLWMWBPEQR-KFWWJZLASA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000188272396 259403790 /nfs/dbraw/zinc/40/37/90/259403790.db2.gz RRXQOLWMWBPEQR-ILXRZTDVSA-N 0 0 247.382 3.524 20 0 BHADRN CCC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000188272846 168235597 /nfs/dbraw/zinc/23/55/97/168235597.db2.gz JTXKPRBBQXOQIB-ZETCQYMHSA-N 0 0 246.137 3.581 20 0 BHADRN OCCCCCSCc1ccccc1Cl ZINC000188276731 353132135 /nfs/dbraw/zinc/13/21/35/353132135.db2.gz QGLBOFRIQIAUPT-UHFFFAOYSA-N 0 0 244.787 3.736 20 0 BHADRN CC[C@@H](C)CC(=O)N(CC)CCc1ccccc1 ZINC000188278992 349269877 /nfs/dbraw/zinc/26/98/77/349269877.db2.gz JTOFIHFCXOMTJJ-CQSZACIVSA-N 0 0 247.382 3.514 20 0 BHADRN CC[C@H](C)CC(=O)N(CC)CCc1ccccc1 ZINC000188279018 349270010 /nfs/dbraw/zinc/27/00/10/349270010.db2.gz JTOFIHFCXOMTJJ-AWEZNQCLSA-N 0 0 247.382 3.514 20 0 BHADRN CC(C)c1ccc(S[C@@H]2CCOC2)cc1 ZINC000188292878 398044150 /nfs/dbraw/zinc/04/41/50/398044150.db2.gz JRQNCJYDPJZGPM-CYBMUJFWSA-N 0 0 222.353 3.691 20 0 BHADRN CC(C)c1ccc(S[C@H]2CCOC2)cc1 ZINC000188292902 398043929 /nfs/dbraw/zinc/04/39/29/398043929.db2.gz JRQNCJYDPJZGPM-ZDUSSCGKSA-N 0 0 222.353 3.691 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000188293073 641750988 /nfs/dbraw/zinc/75/09/88/641750988.db2.gz INJRQRAVYXAJAB-YCRREMRBSA-N 0 0 248.713 3.506 20 0 BHADRN c1ccc2c(c1)CCC[C@@H]2S[C@@H]1CCOC1 ZINC000188303062 323090840 /nfs/dbraw/zinc/09/08/40/323090840.db2.gz YUJLMFHOLJCLPB-OCCSQVGLSA-N 0 0 234.364 3.586 20 0 BHADRN c1ccc2c(c1)CCC[C@H]2S[C@@H]1CCOC1 ZINC000188303089 323090830 /nfs/dbraw/zinc/09/08/30/323090830.db2.gz YUJLMFHOLJCLPB-TZMCWYRMSA-N 0 0 234.364 3.586 20 0 BHADRN c1ccc2c(c1)CCC[C@@H]2S[C@H]1CCOC1 ZINC000188303110 323090941 /nfs/dbraw/zinc/09/09/41/323090941.db2.gz YUJLMFHOLJCLPB-JSGCOSHPSA-N 0 0 234.364 3.586 20 0 BHADRN c1ccc2c(c1)CCC[C@H]2S[C@H]1CCOC1 ZINC000188303131 323090898 /nfs/dbraw/zinc/09/08/98/323090898.db2.gz YUJLMFHOLJCLPB-GXTWGEPZSA-N 0 0 234.364 3.586 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cccc(Cl)c1F ZINC000188306438 188001728 /nfs/dbraw/zinc/00/17/28/188001728.db2.gz SEQNJEMEJIOSIQ-FPYGCLRLSA-N 0 0 241.693 3.774 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccccc1OCCC ZINC000188306625 188172210 /nfs/dbraw/zinc/17/22/10/188172210.db2.gz GOXDRJXQCHPHJB-LFYBBSHMSA-N 0 0 247.338 3.770 20 0 BHADRN Cc1cccc(N[C@@H](C)c2nccnc2C)c1C ZINC000188308015 179153684 /nfs/dbraw/zinc/15/36/84/179153684.db2.gz BXBSZVSMFXLAIJ-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cccc(N[C@H](C)c2nccnc2C)c1C ZINC000188308958 179157194 /nfs/dbraw/zinc/15/71/94/179157194.db2.gz BXBSZVSMFXLAIJ-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN CCc1ccccc1N[C@@H](C)c1nccnc1C ZINC000188309252 385038740 /nfs/dbraw/zinc/03/87/40/385038740.db2.gz LXQOOYOTXZZNHS-LBPRGKRZSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1ccccc1N[C@H](C)c1nccnc1C ZINC000188309268 385038519 /nfs/dbraw/zinc/03/85/19/385038519.db2.gz LXQOOYOTXZZNHS-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1ccc(N[C@@H](C)c2nccnc2C)cc1 ZINC000188313994 171821473 /nfs/dbraw/zinc/82/14/73/171821473.db2.gz XOKCTLONKBXMRS-LBPRGKRZSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1ccc(N[C@H](C)c2nccnc2C)cc1 ZINC000188314022 171822349 /nfs/dbraw/zinc/82/23/49/171822349.db2.gz XOKCTLONKBXMRS-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1cccc(N[C@@H](C)c2nccnc2C)c1 ZINC000188314539 386418604 /nfs/dbraw/zinc/41/86/04/386418604.db2.gz VFAXGHCPZDDHOF-LBPRGKRZSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1cccc(N[C@H](C)c2nccnc2C)c1 ZINC000188314562 205828621 /nfs/dbraw/zinc/82/86/21/205828621.db2.gz VFAXGHCPZDDHOF-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN O=C(C[C@H]1C=CCCC1)N1CCC2(CCCC2)C1 ZINC000188320922 357527717 /nfs/dbraw/zinc/52/77/17/357527717.db2.gz YWJVIRPEPPQKNB-AWEZNQCLSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)N1CCC2(CCCC2)C1 ZINC000188320947 357527729 /nfs/dbraw/zinc/52/77/29/357527729.db2.gz YWJVIRPEPPQKNB-CQSZACIVSA-N 0 0 247.382 3.526 20 0 BHADRN Cc1coc(SCc2cc(C)cc(C)c2)n1 ZINC000188327857 323091027 /nfs/dbraw/zinc/09/10/27/323091027.db2.gz RXILVHGZTLXMME-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cc(Cl)ccc1F ZINC000188327871 635188055 /nfs/dbraw/zinc/18/80/55/635188055.db2.gz NCZGATAYXIAMAU-FPYGCLRLSA-N 0 0 241.693 3.774 20 0 BHADRN Cc1coc(SCCC2CCCC2)n1 ZINC000188328405 134507342 /nfs/dbraw/zinc/50/73/42/134507342.db2.gz GQKSCEKJHGSRBX-UHFFFAOYSA-N 0 0 211.330 3.655 20 0 BHADRN Cc1coc(S[C@@H](C)c2ccccc2F)n1 ZINC000188328933 397882781 /nfs/dbraw/zinc/88/27/81/397882781.db2.gz NHOQNZWOCFZMQQ-VIFPVBQESA-N 0 0 237.299 3.975 20 0 BHADRN Cc1coc(S[C@H](C)c2ccccc2F)n1 ZINC000188328952 397882794 /nfs/dbraw/zinc/88/27/94/397882794.db2.gz NHOQNZWOCFZMQQ-SECBINFHSA-N 0 0 237.299 3.975 20 0 BHADRN Cc1coc(S[C@@H](C)c2ccc(F)cc2)n1 ZINC000188329240 357527950 /nfs/dbraw/zinc/52/79/50/357527950.db2.gz DHXTWRYNOIBNKZ-VIFPVBQESA-N 0 0 237.299 3.975 20 0 BHADRN Cc1coc(S[C@H](C)c2ccc(F)cc2)n1 ZINC000188329264 357528163 /nfs/dbraw/zinc/52/81/63/357528163.db2.gz DHXTWRYNOIBNKZ-SECBINFHSA-N 0 0 237.299 3.975 20 0 BHADRN CC1(C(=O)NC2CCC3(CCCCC3)CC2)CC1 ZINC000188330643 323091040 /nfs/dbraw/zinc/09/10/40/323091040.db2.gz ASPVJPLRIUFXQD-UHFFFAOYSA-N 0 0 249.398 3.796 20 0 BHADRN Cc1coc(SCc2cc(F)ccc2F)n1 ZINC000188330760 397882987 /nfs/dbraw/zinc/88/29/87/397882987.db2.gz WNCCBADUDAUVLZ-UHFFFAOYSA-N 0 0 241.262 3.554 20 0 BHADRN CC(C)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000188337408 398049595 /nfs/dbraw/zinc/04/95/95/398049595.db2.gz GKGUIWDICKMFOG-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1coc(SCc2ccccc2C)n1 ZINC000188337981 385039598 /nfs/dbraw/zinc/03/95/98/385039598.db2.gz NLFODJOMRILPEI-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN Cc1coc(SCCCc2ccccc2)n1 ZINC000188340337 357527871 /nfs/dbraw/zinc/52/78/71/357527871.db2.gz BLKHHZCBLFKONC-UHFFFAOYSA-N 0 0 233.336 3.708 20 0 BHADRN Cc1nccnc1[C@@H](C)Nc1cccc(Cl)c1 ZINC000188341296 346803747 /nfs/dbraw/zinc/80/37/47/346803747.db2.gz YHHBNNOPHLZEAY-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1nccnc1[C@H](C)Nc1cccc(Cl)c1 ZINC000188341323 346804026 /nfs/dbraw/zinc/80/40/26/346804026.db2.gz YHHBNNOPHLZEAY-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1coc(SCCCOc2ccccc2)n1 ZINC000188346251 385041328 /nfs/dbraw/zinc/04/13/28/385041328.db2.gz YAJCPIQUKRCBOV-UHFFFAOYSA-N 0 0 249.335 3.544 20 0 BHADRN Cc1coc(SCc2ccc(F)c(F)c2)n1 ZINC000188346325 357527989 /nfs/dbraw/zinc/52/79/89/357527989.db2.gz PJWBSUPNPZIXID-UHFFFAOYSA-N 0 0 241.262 3.554 20 0 BHADRN Cc1cc(C(=O)N(C)C2CCC(C)(C)CC2)co1 ZINC000188348929 385040658 /nfs/dbraw/zinc/04/06/58/385040658.db2.gz NIKKCYJMSMCXQW-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1coc(SC/C=C/c2ccccc2)n1 ZINC000188356783 259382044 /nfs/dbraw/zinc/38/20/44/259382044.db2.gz KQOICWRUPKVXSL-VMPITWQZSA-N 0 0 231.320 3.789 20 0 BHADRN Cc1nccnc1[C@@H](C)Nc1ccc(Cl)cc1 ZINC000188359378 347278542 /nfs/dbraw/zinc/27/85/42/347278542.db2.gz DXHCUASJHJYTSJ-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1nccnc1[C@H](C)Nc1ccc(Cl)cc1 ZINC000188359401 346804864 /nfs/dbraw/zinc/80/48/64/346804864.db2.gz DXHCUASJHJYTSJ-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1coc(SCc2ccc3c(c2)CCC3)n1 ZINC000188359897 134507367 /nfs/dbraw/zinc/50/73/67/134507367.db2.gz XSIGHFDJYGGUPI-UHFFFAOYSA-N 0 0 245.347 3.764 20 0 BHADRN Cc1coc(SCc2cccc(Cl)c2)n1 ZINC000188360856 347278652 /nfs/dbraw/zinc/27/86/52/347278652.db2.gz DGLLOWMFOBAPNN-UHFFFAOYSA-N 0 0 239.727 3.929 20 0 BHADRN CC[C@@H](C)CC(=O)N(CC)c1cccc(F)c1 ZINC000188362465 357528424 /nfs/dbraw/zinc/52/84/24/357528424.db2.gz DPFVURLOWJMEHC-LLVKDONJSA-N 0 0 237.318 3.615 20 0 BHADRN CC[C@H](C)CC(=O)N(CC)c1cccc(F)c1 ZINC000188362488 357529162 /nfs/dbraw/zinc/52/91/62/357529162.db2.gz DPFVURLOWJMEHC-NSHDSACASA-N 0 0 237.318 3.615 20 0 BHADRN CC(C)C[C@@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000188362614 385691616 /nfs/dbraw/zinc/69/16/16/385691616.db2.gz UFXHFGVPYFRMOG-GJZGRUSLSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)C[C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000188362637 259405035 /nfs/dbraw/zinc/40/50/35/259405035.db2.gz UFXHFGVPYFRMOG-LSDHHAIUSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)C[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000188362664 385691583 /nfs/dbraw/zinc/69/15/83/385691583.db2.gz UFXHFGVPYFRMOG-CABCVRRESA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)C[C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000188362688 259404911 /nfs/dbraw/zinc/40/49/11/259404911.db2.gz UFXHFGVPYFRMOG-HUUCEWRRSA-N 0 0 249.398 3.627 20 0 BHADRN C/C=C(\CC)C(=O)NC[C@H](CC)c1ccccc1 ZINC000188363971 641755468 /nfs/dbraw/zinc/75/54/68/641755468.db2.gz MLVQXIQWKYXLNZ-HIICFIELSA-N 0 0 245.366 3.653 20 0 BHADRN C/C=C(\CC)C(=O)NC[C@@H](CC)c1ccccc1 ZINC000188363993 641754076 /nfs/dbraw/zinc/75/40/76/641754076.db2.gz MLVQXIQWKYXLNZ-QJIMOZNHSA-N 0 0 245.366 3.653 20 0 BHADRN CCCC[C@H](NC(=O)c1coc(C)c1)C1CCC1 ZINC000188364203 357529097 /nfs/dbraw/zinc/52/90/97/357529097.db2.gz QWSWITQEDQIQQK-AWEZNQCLSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@@H](NC(=O)c1coc(C)c1)C1CCC1 ZINC000188364222 357528551 /nfs/dbraw/zinc/52/85/51/357528551.db2.gz QWSWITQEDQIQQK-CQSZACIVSA-N 0 0 249.354 3.677 20 0 BHADRN Cc1coc(S[C@@H](C)c2cccc(F)c2)n1 ZINC000188365999 385045830 /nfs/dbraw/zinc/04/58/30/385045830.db2.gz CDRVOFBZXYNFSK-VIFPVBQESA-N 0 0 237.299 3.975 20 0 BHADRN Cc1coc(S[C@H](C)c2cccc(F)c2)n1 ZINC000188366017 385044379 /nfs/dbraw/zinc/04/43/79/385044379.db2.gz CDRVOFBZXYNFSK-SECBINFHSA-N 0 0 237.299 3.975 20 0 BHADRN Cc1coc(SCc2cc(C)sc2C)n1 ZINC000188367440 357529116 /nfs/dbraw/zinc/52/91/16/357529116.db2.gz NMSPOKHVRQLMOI-UHFFFAOYSA-N 0 0 239.365 3.954 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cccc(C(=O)CC)c1 ZINC000188373303 385045599 /nfs/dbraw/zinc/04/55/99/385045599.db2.gz MWTRDIUYYWXHND-NYYWCZLTSA-N 0 0 245.322 3.574 20 0 BHADRN Cc1c(F)cccc1NC(=O)C[C@H]1C=CCCC1 ZINC000188377396 385693233 /nfs/dbraw/zinc/69/32/33/385693233.db2.gz KHMLEYJJOHAKQD-LBPRGKRZSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1c(F)cccc1NC(=O)C[C@@H]1C=CCCC1 ZINC000188377425 385693571 /nfs/dbraw/zinc/69/35/71/385693571.db2.gz KHMLEYJJOHAKQD-GFCCVEGCSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1coc(S[C@@H](C)c2ccccc2)n1 ZINC000188378238 385043416 /nfs/dbraw/zinc/04/34/16/385043416.db2.gz UVQDPFFCGGTZNK-JTQLQIEISA-N 0 0 219.309 3.836 20 0 BHADRN Cc1coc(S[C@H](C)c2ccccc2)n1 ZINC000188378262 385043982 /nfs/dbraw/zinc/04/39/82/385043982.db2.gz UVQDPFFCGGTZNK-SNVBAGLBSA-N 0 0 219.309 3.836 20 0 BHADRN Cc1ccc(N[C@@H](C)c2nccnc2C)c(C)c1 ZINC000188378917 385043747 /nfs/dbraw/zinc/04/37/47/385043747.db2.gz XTBREADVDAJTAY-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(N[C@H](C)c2nccnc2C)c(C)c1 ZINC000188378943 178777090 /nfs/dbraw/zinc/77/70/90/178777090.db2.gz XTBREADVDAJTAY-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1coc(SCc2ccccc2Cl)n1 ZINC000188382263 347279739 /nfs/dbraw/zinc/27/97/39/347279739.db2.gz RLWVJNCZXKHQLP-UHFFFAOYSA-N 0 0 239.727 3.929 20 0 BHADRN Cc1coc(SCc2ccc(F)cc2F)n1 ZINC000188382366 357528983 /nfs/dbraw/zinc/52/89/83/357528983.db2.gz QPDNGMKNUKTKGF-UHFFFAOYSA-N 0 0 241.262 3.554 20 0 BHADRN Cc1coc(SCc2ccc(F)cc2C)n1 ZINC000188382467 343912216 /nfs/dbraw/zinc/91/22/16/343912216.db2.gz YILGWDYYOIEIRV-UHFFFAOYSA-N 0 0 237.299 3.723 20 0 BHADRN COc1cccc([C@H](C)Sc2nc(C)co2)c1 ZINC000188383157 357530117 /nfs/dbraw/zinc/53/01/17/357530117.db2.gz OTGMVUOXTSGUOY-JTQLQIEISA-N 0 0 249.335 3.845 20 0 BHADRN COc1cccc([C@@H](C)Sc2nc(C)co2)c1 ZINC000188383179 357530080 /nfs/dbraw/zinc/53/00/80/357530080.db2.gz OTGMVUOXTSGUOY-SNVBAGLBSA-N 0 0 249.335 3.845 20 0 BHADRN Cc1coc(SCCc2ccc(C)cc2)n1 ZINC000188385275 357529819 /nfs/dbraw/zinc/52/98/19/357529819.db2.gz KLOPPSVWDICNDA-UHFFFAOYSA-N 0 0 233.336 3.626 20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)c2nccnc2C)c1 ZINC000188388709 178485360 /nfs/dbraw/zinc/48/53/60/178485360.db2.gz SRFXLTQTTULWRP-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)c2nccnc2C)c1 ZINC000188388733 385045532 /nfs/dbraw/zinc/04/55/32/385045532.db2.gz SRFXLTQTTULWRP-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN C/C=C(\CC)C(=O)Nc1nc(C(C)C)cs1 ZINC000188392152 641753652 /nfs/dbraw/zinc/75/36/52/641753652.db2.gz FNPPKPVZUNYMIB-WEVVVXLNSA-N 0 0 238.356 3.561 20 0 BHADRN Cc1coc(SCc2cccc(F)c2F)n1 ZINC000188393798 357529840 /nfs/dbraw/zinc/52/98/40/357529840.db2.gz DDRRMXUKFRSFON-UHFFFAOYSA-N 0 0 241.262 3.554 20 0 BHADRN C/C=C(\CC)C(=O)NC1(c2ccccc2)CCC1 ZINC000188395484 187824033 /nfs/dbraw/zinc/82/40/33/187824033.db2.gz ZIUMDOHLZCBTAP-QLKAYGNNSA-N 0 0 243.350 3.538 20 0 BHADRN Cc1coc(SCc2ccc(C)cc2)n1 ZINC000188397748 385049988 /nfs/dbraw/zinc/04/99/88/385049988.db2.gz FAPVLKVKDIFUIJ-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN Cc1coc(SCc2ccc(Cl)cc2)n1 ZINC000188400343 346809497 /nfs/dbraw/zinc/80/94/97/346809497.db2.gz MAYAQGQSEBVFAO-UHFFFAOYSA-N 0 0 239.727 3.929 20 0 BHADRN C/C=C(\CC)C(=O)N(C)C1CCCCCC1 ZINC000188402316 641754119 /nfs/dbraw/zinc/75/41/19/641754119.db2.gz LBKHHJHRGWPHCM-UUILKARUSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000188403147 634144003 /nfs/dbraw/zinc/14/40/03/634144003.db2.gz NYVJSEZBRQGENF-YCRREMRBSA-N 0 0 248.713 3.506 20 0 BHADRN Cc1coc(SCC2CCCCC2)n1 ZINC000188406681 347280476 /nfs/dbraw/zinc/28/04/76/347280476.db2.gz JCRVPYHMRBNOGH-UHFFFAOYSA-N 0 0 211.330 3.655 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1coc(C)c1 ZINC000188412491 134524028 /nfs/dbraw/zinc/52/40/28/134524028.db2.gz AWPQEBRSDWXYEV-OCCSQVGLSA-N 0 0 249.354 3.629 20 0 BHADRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1coc(C)c1 ZINC000188412513 357551846 /nfs/dbraw/zinc/55/18/46/357551846.db2.gz AWPQEBRSDWXYEV-JSGCOSHPSA-N 0 0 249.354 3.629 20 0 BHADRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1coc(C)c1 ZINC000188412537 535819067 /nfs/dbraw/zinc/81/90/67/535819067.db2.gz AWPQEBRSDWXYEV-TZMCWYRMSA-N 0 0 249.354 3.629 20 0 BHADRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1coc(C)c1 ZINC000188412559 357551607 /nfs/dbraw/zinc/55/16/07/357551607.db2.gz AWPQEBRSDWXYEV-GXTWGEPZSA-N 0 0 249.354 3.629 20 0 BHADRN C/C=C(\CC)C(=O)N(CC)C1CCCCC1 ZINC000188412647 641757721 /nfs/dbraw/zinc/75/77/21/641757721.db2.gz QHFIZBPOGNPGHM-UUILKARUSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cnc2ccccc2c1 ZINC000188414138 641757683 /nfs/dbraw/zinc/75/76/83/641757683.db2.gz CSVVSGLFFOPMNE-QDEBKDIKSA-N 0 0 240.306 3.530 20 0 BHADRN Cc1cc(C(=O)N2CCCC[C@@H]2CC(C)C)co1 ZINC000188414882 385048092 /nfs/dbraw/zinc/04/80/92/385048092.db2.gz NBLSQZZZUSFCHG-CQSZACIVSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1cc(C(=O)N2CCCC[C@H]2CC(C)C)co1 ZINC000188414905 385047880 /nfs/dbraw/zinc/04/78/80/385047880.db2.gz NBLSQZZZUSFCHG-AWEZNQCLSA-N 0 0 249.354 3.629 20 0 BHADRN CC(C)C(C)(C)CNC(=O)Nc1ccsc1 ZINC000188424005 386495762 /nfs/dbraw/zinc/49/57/62/386495762.db2.gz QHHOHBZLZCVIJS-UHFFFAOYSA-N 0 0 240.372 3.552 20 0 BHADRN CCN(C(=O)c1coc(C)c1)c1ccccc1C ZINC000188431724 385052797 /nfs/dbraw/zinc/05/27/97/385052797.db2.gz JBCQRUXPWKTYCG-UHFFFAOYSA-N 0 0 243.306 3.563 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000188432151 357553383 /nfs/dbraw/zinc/55/33/83/357553383.db2.gz VHFOVKLDMRIGIV-SNVBAGLBSA-N 0 0 244.338 3.851 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000188432174 134525374 /nfs/dbraw/zinc/52/53/74/134525374.db2.gz VHFOVKLDMRIGIV-JTQLQIEISA-N 0 0 244.338 3.851 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)C[C@H]1C=CCCC1 ZINC000188432660 385705114 /nfs/dbraw/zinc/70/51/14/385705114.db2.gz ULHIYDSKPNWNDY-KGLIPLIRSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)C[C@H]1C=CCCC1 ZINC000188432685 385704737 /nfs/dbraw/zinc/70/47/37/385704737.db2.gz ULHIYDSKPNWNDY-KBPBESRZSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)C[C@@H]1C=CCCC1 ZINC000188432707 385704632 /nfs/dbraw/zinc/70/46/32/385704632.db2.gz ULHIYDSKPNWNDY-ZIAGYGMSSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)C[C@@H]1C=CCCC1 ZINC000188432735 385704442 /nfs/dbraw/zinc/70/44/42/385704442.db2.gz ULHIYDSKPNWNDY-UONOGXRCSA-N 0 0 237.387 3.627 20 0 BHADRN C/C=C(\CC)C(=O)N(C(C)C)C1CCCC1 ZINC000188435171 641757390 /nfs/dbraw/zinc/75/73/90/641757390.db2.gz STAKEDDZJVYAPM-LFYBBSHMSA-N 0 0 223.360 3.522 20 0 BHADRN CCOc1ccccc1CSc1nc(C)co1 ZINC000188437137 170593596 /nfs/dbraw/zinc/59/35/96/170593596.db2.gz IFRXJCNPTFJSCR-UHFFFAOYSA-N 0 0 249.335 3.674 20 0 BHADRN CC[C@H](C)CC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000188437869 357553554 /nfs/dbraw/zinc/55/35/54/357553554.db2.gz QCAHJBQZAJBDSO-HEHGZKQESA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@H](C)CC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000188437919 357553517 /nfs/dbraw/zinc/55/35/17/357553517.db2.gz QCAHJBQZAJBDSO-WOSRLPQWSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1c(C)cccc1C ZINC000188438977 385052735 /nfs/dbraw/zinc/05/27/35/385052735.db2.gz FLHCBPJAPXXMNV-SNVBAGLBSA-N 0 0 219.328 3.678 20 0 BHADRN CC[C@H](C)CC(=O)Nc1c(C)cccc1C ZINC000188439003 171262637 /nfs/dbraw/zinc/26/26/37/171262637.db2.gz FLHCBPJAPXXMNV-JTQLQIEISA-N 0 0 219.328 3.678 20 0 BHADRN Cc1ncsc1CN(C)c1cc(C)ccc1C ZINC000188439723 346811564 /nfs/dbraw/zinc/81/15/64/346811564.db2.gz QMTIONGPVUESMZ-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN Cc1coc(SCCCSCC(C)C)n1 ZINC000188441810 134524757 /nfs/dbraw/zinc/52/47/57/134524757.db2.gz UZTKPWXMRVUXKX-UHFFFAOYSA-N 0 0 245.413 3.854 20 0 BHADRN CC[C@@H](C)CC(=O)NCC(C)(C)c1ccccc1 ZINC000188442135 385708736 /nfs/dbraw/zinc/70/87/36/385708736.db2.gz ROHWVECXCZPTLN-CYBMUJFWSA-N 0 0 247.382 3.517 20 0 BHADRN CC[C@H](C)CC(=O)NCC(C)(C)c1ccccc1 ZINC000188442160 385708742 /nfs/dbraw/zinc/70/87/42/385708742.db2.gz ROHWVECXCZPTLN-ZDUSSCGKSA-N 0 0 247.382 3.517 20 0 BHADRN Cc1coc(SC[C@@H](C)c2ccccc2)n1 ZINC000188443740 385707153 /nfs/dbraw/zinc/70/71/53/385707153.db2.gz SIFBYZAKUGKSOU-SNVBAGLBSA-N 0 0 233.336 3.879 20 0 BHADRN Cc1coc(SC[C@H](C)c2ccccc2)n1 ZINC000188443764 385706348 /nfs/dbraw/zinc/70/63/48/385706348.db2.gz SIFBYZAKUGKSOU-JTQLQIEISA-N 0 0 233.336 3.879 20 0 BHADRN Cc1coc(SCc2c(C)cccc2C)n1 ZINC000188443961 385707484 /nfs/dbraw/zinc/70/74/84/385707484.db2.gz HIBHJPIYDGKZRT-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc(C)c(OC)c1C ZINC000188445048 385707676 /nfs/dbraw/zinc/70/76/76/385707676.db2.gz UTKODLLLPOHPGT-SNVBAGLBSA-N 0 0 249.354 3.687 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc(C)c(OC)c1C ZINC000188445071 385707763 /nfs/dbraw/zinc/70/77/63/385707763.db2.gz UTKODLLLPOHPGT-JTQLQIEISA-N 0 0 249.354 3.687 20 0 BHADRN Cc1cc(C(=O)N(C(C)C)C2CCCCC2)co1 ZINC000188449742 385051839 /nfs/dbraw/zinc/05/18/39/385051839.db2.gz HJUMJMKHVPMUCD-UHFFFAOYSA-N 0 0 249.354 3.771 20 0 BHADRN Cc1coc(SCc2cccc(C)c2)n1 ZINC000188454294 187657169 /nfs/dbraw/zinc/65/71/69/187657169.db2.gz NOURIOHVUFJGPZ-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN C/C=C(\CC)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000188460436 385055847 /nfs/dbraw/zinc/05/58/47/385055847.db2.gz PSRNFHBWIKJRFC-VYAXBHEWSA-N 0 0 245.366 3.871 20 0 BHADRN C/C=C(\CC)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000188460465 188171827 /nfs/dbraw/zinc/17/18/27/188171827.db2.gz PSRNFHBWIKJRFC-IAEDUXEVSA-N 0 0 245.366 3.871 20 0 BHADRN CCc1ccc(CSc2nc(C)co2)cc1 ZINC000188461255 385711753 /nfs/dbraw/zinc/71/17/53/385711753.db2.gz GYFLGSXNDZVMAC-UHFFFAOYSA-N 0 0 233.336 3.838 20 0 BHADRN Cc1coc(S[C@@H]2CCc3ccc(F)cc32)n1 ZINC000188461887 385056111 /nfs/dbraw/zinc/05/61/11/385056111.db2.gz LXVZLCWJLOBEAI-GFCCVEGCSA-N 0 0 249.310 3.902 20 0 BHADRN Cc1coc(S[C@H]2CCc3ccc(F)cc32)n1 ZINC000188461915 385054349 /nfs/dbraw/zinc/05/43/49/385054349.db2.gz LXVZLCWJLOBEAI-LBPRGKRZSA-N 0 0 249.310 3.902 20 0 BHADRN CCC(CC)(CC)CNC(=O)c1coc(C)c1 ZINC000188468090 219896838 /nfs/dbraw/zinc/89/68/38/219896838.db2.gz WZMNMZAHBLHMGR-UHFFFAOYSA-N 0 0 237.343 3.534 20 0 BHADRN Cc1coc(SCc2cc(C)ccc2C)n1 ZINC000188472471 385711049 /nfs/dbraw/zinc/71/10/49/385711049.db2.gz GXSUEHSWKJCUOC-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN C[C@@H]1CCCN1C(=O)c1ccc(C2CCC2)cc1 ZINC000188482093 357556378 /nfs/dbraw/zinc/55/63/78/357556378.db2.gz IKEJNTYKMJIFCU-GFCCVEGCSA-N 0 0 243.350 3.579 20 0 BHADRN C[C@H]1CCCN1C(=O)c1ccc(C2CCC2)cc1 ZINC000188482121 357556585 /nfs/dbraw/zinc/55/65/85/357556585.db2.gz IKEJNTYKMJIFCU-LBPRGKRZSA-N 0 0 243.350 3.579 20 0 BHADRN COCCCCSCc1ccccc1Cl ZINC000188503780 385723721 /nfs/dbraw/zinc/72/37/21/385723721.db2.gz RTMHZBAGNVNLCQ-UHFFFAOYSA-N 0 0 244.787 4.000 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccc(C)c(OC)c1C ZINC000188527809 188349097 /nfs/dbraw/zinc/34/90/97/188349097.db2.gz GBEQEXLTYWHSAA-WUXMJOGZSA-N 0 0 247.338 3.607 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccccc1CCC ZINC000188533214 187656837 /nfs/dbraw/zinc/65/68/37/187656837.db2.gz NAIFVVHLOSCJFP-LFYBBSHMSA-N 0 0 231.339 3.934 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000188535703 398062817 /nfs/dbraw/zinc/06/28/17/398062817.db2.gz PWYJLFSPZXXVBU-LSDHHAIUSA-N 0 0 249.398 3.772 20 0 BHADRN CCC[C@H]1CCCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000188535726 259408955 /nfs/dbraw/zinc/40/89/55/259408955.db2.gz PWYJLFSPZXXVBU-GJZGRUSLSA-N 0 0 249.398 3.772 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000188535751 398062749 /nfs/dbraw/zinc/06/27/49/398062749.db2.gz PWYJLFSPZXXVBU-HUUCEWRRSA-N 0 0 249.398 3.772 20 0 BHADRN CCC[C@H]1CCCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000188535776 259408935 /nfs/dbraw/zinc/40/89/35/259408935.db2.gz PWYJLFSPZXXVBU-CABCVRRESA-N 0 0 249.398 3.772 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)Nc2cnccc2C)CC1 ZINC000188537518 171032315 /nfs/dbraw/zinc/03/23/15/171032315.db2.gz BAIALUJPZQKCIH-BETUJISGSA-N 0 0 246.354 3.545 20 0 BHADRN CCOC[C@@H](C)Nc1cccc(C(C)(F)F)c1 ZINC000188566626 387040800 /nfs/dbraw/zinc/04/08/00/387040800.db2.gz OPQBEUMDZCCRDS-SNVBAGLBSA-N 0 0 243.297 3.635 20 0 BHADRN CCOC[C@H](C)Nc1cccc(C(C)(F)F)c1 ZINC000188566653 528981080 /nfs/dbraw/zinc/98/10/80/528981080.db2.gz OPQBEUMDZCCRDS-JTQLQIEISA-N 0 0 243.297 3.635 20 0 BHADRN CC(F)(F)c1cccc(N[C@@H]2CCSC2)c1 ZINC000188567072 262744073 /nfs/dbraw/zinc/74/40/73/262744073.db2.gz JLLOKAYAYBZBPJ-LLVKDONJSA-N 0 0 243.322 3.716 20 0 BHADRN CC(F)(F)c1cccc(N[C@H]2CCSC2)c1 ZINC000188567097 385775062 /nfs/dbraw/zinc/77/50/62/385775062.db2.gz JLLOKAYAYBZBPJ-NSHDSACASA-N 0 0 243.322 3.716 20 0 BHADRN CC[C@@H](COC)Nc1cccc(C(C)(F)F)c1 ZINC000188567713 170850217 /nfs/dbraw/zinc/85/02/17/170850217.db2.gz YUMUUOHDGXLVDN-NSHDSACASA-N 0 0 243.297 3.635 20 0 BHADRN CC[C@H](COC)Nc1cccc(C(C)(F)F)c1 ZINC000188567735 385067136 /nfs/dbraw/zinc/06/71/36/385067136.db2.gz YUMUUOHDGXLVDN-LLVKDONJSA-N 0 0 243.297 3.635 20 0 BHADRN CC(C)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000188570063 347284556 /nfs/dbraw/zinc/28/45/56/347284556.db2.gz FGLPQPHGDSPDMF-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1cc(C(=O)Nc2cc(C)ccc2Cl)co1 ZINC000188576689 346822952 /nfs/dbraw/zinc/82/29/52/346822952.db2.gz LMYLRZLEAFYIPU-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN CC1(C(=O)N2CCCC3(CCCCC3)CC2)CC1 ZINC000188576735 357562950 /nfs/dbraw/zinc/56/29/50/357562950.db2.gz AJQUCRASXASRAH-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN C[C@@H](C1CC1)n1cc(NCCC(C)(C)C)cn1 ZINC000188578216 219897297 /nfs/dbraw/zinc/89/72/97/219897297.db2.gz JLHGOQCVGBVDKZ-NSHDSACASA-N 0 0 235.375 3.702 20 0 BHADRN C[C@H](C1CC1)n1cc(NCCC(C)(C)C)cn1 ZINC000188578229 219897265 /nfs/dbraw/zinc/89/72/65/219897265.db2.gz JLHGOQCVGBVDKZ-LLVKDONJSA-N 0 0 235.375 3.702 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccc2ncccc2c1 ZINC000188580419 634147672 /nfs/dbraw/zinc/14/76/72/634147672.db2.gz CZYUFDVHEQKDKN-QDEBKDIKSA-N 0 0 240.306 3.530 20 0 BHADRN CCC1(CC)CCN(C(=O)CC2CCC2)CC1 ZINC000188580946 357562431 /nfs/dbraw/zinc/56/24/31/357562431.db2.gz PKWZSHPVHKXCCZ-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC1(CC)CCN(C(=O)c2ccoc2C)CC1 ZINC000188589250 357540931 /nfs/dbraw/zinc/54/09/31/357540931.db2.gz UVBBWHRMNVIFDT-UHFFFAOYSA-N 0 0 249.354 3.630 20 0 BHADRN CCCCCN(C(=O)c1coc(C)c1)C(C)C ZINC000188593948 385065778 /nfs/dbraw/zinc/06/57/78/385065778.db2.gz KZWYIMCKLIWGSE-UHFFFAOYSA-N 0 0 237.343 3.629 20 0 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MYLIOLIQRWKJKU-GFCCVEGCSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cccc(SCC[C@@H]2CCCO2)c1 ZINC000188981187 388615543 /nfs/dbraw/zinc/61/55/43/388615543.db2.gz XTEDOKMTJUJPLU-LBPRGKRZSA-N 0 0 222.353 3.656 20 0 BHADRN Cc1cccc(SCC[C@H]2CCCO2)c1 ZINC000188981207 259534246 /nfs/dbraw/zinc/53/42/46/259534246.db2.gz XTEDOKMTJUJPLU-GFCCVEGCSA-N 0 0 222.353 3.656 20 0 BHADRN O=C(Nc1ccccc1)c1csc(Cl)c1 ZINC000188994421 353273372 /nfs/dbraw/zinc/27/33/72/353273372.db2.gz LLMUCURVJDAZOI-UHFFFAOYSA-N 0 0 237.711 3.654 20 0 BHADRN CCCc1ccccc1NCc1ccc(F)nc1 ZINC000188998486 641782100 /nfs/dbraw/zinc/78/21/00/641782100.db2.gz RCKDRGIQUOKZMW-UHFFFAOYSA-N 0 0 244.313 3.785 20 0 BHADRN CSc1cccc(NCc2ccc(F)nc2)c1 ZINC000188999568 641782265 /nfs/dbraw/zinc/78/22/65/641782265.db2.gz ISUDSLIMBMVWAM-UHFFFAOYSA-N 0 0 248.326 3.555 20 0 BHADRN CC(C)c1ccc(NCc2ccc(F)nc2)cc1 ZINC000188999788 641782232 /nfs/dbraw/zinc/78/22/32/641782232.db2.gz YIBXGCRWYCQDED-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN CC(C)c1cccc(NCc2ccc(F)nc2)c1 ZINC000189000230 641781835 /nfs/dbraw/zinc/78/18/35/641781835.db2.gz NEMLOVFRWHPLCA-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN CCCc1ccc(NCc2ccc(F)nc2)cc1 ZINC000189000260 641780913 /nfs/dbraw/zinc/78/09/13/641780913.db2.gz CSMSRRRWJSMKEA-UHFFFAOYSA-N 0 0 244.313 3.785 20 0 BHADRN CSc1ccc(NCc2ccc(F)nc2)cc1 ZINC000189000477 641782161 /nfs/dbraw/zinc/78/21/61/641782161.db2.gz JASIRKWTGHNCOS-UHFFFAOYSA-N 0 0 248.326 3.555 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000189016437 634160999 /nfs/dbraw/zinc/16/09/99/634160999.db2.gz FUOKRNXGXMNYLG-FPYGCLRLSA-N 0 0 241.693 3.774 20 0 BHADRN CCOc1cc(C)ccc1NC(=O)C[C@H](C)CC ZINC000189026190 259535687 /nfs/dbraw/zinc/53/56/87/259535687.db2.gz XPLPEKOBCCRLDJ-LLVKDONJSA-N 0 0 249.354 3.768 20 0 BHADRN CCOc1cc(C)ccc1NC(=O)C[C@@H](C)CC ZINC000189026213 259324808 /nfs/dbraw/zinc/32/48/08/259324808.db2.gz XPLPEKOBCCRLDJ-NSHDSACASA-N 0 0 249.354 3.768 20 0 BHADRN CCc1cc(NC(=O)c2coc(C)c2)ccc1C ZINC000189031224 357600703 /nfs/dbraw/zinc/60/07/03/357600703.db2.gz HVDAYRQAJQENTR-UHFFFAOYSA-N 0 0 243.306 3.711 20 0 BHADRN c1ccc2c(c1)CC(SCC[C@@H]1CCCO1)=N2 ZINC000189033833 188530454 /nfs/dbraw/zinc/53/04/54/188530454.db2.gz YAVRBPGMCSJXCL-LBPRGKRZSA-N 0 0 247.363 3.575 20 0 BHADRN c1ccc2c(c1)CC(SCC[C@H]1CCCO1)=N2 ZINC000189033855 385116970 /nfs/dbraw/zinc/11/69/70/385116970.db2.gz YAVRBPGMCSJXCL-GFCCVEGCSA-N 0 0 247.363 3.575 20 0 BHADRN CC(=O)CSC/C=C/c1ccc(Cl)cc1 ZINC000189051152 346856473 /nfs/dbraw/zinc/85/64/73/346856473.db2.gz DKHOTXPCBCJHRT-NSCUHMNNSA-N 0 0 240.755 3.675 20 0 BHADRN CCN(CC(C)C)C(=O)c1csc(Cl)c1 ZINC000189051376 388617369 /nfs/dbraw/zinc/61/73/69/388617369.db2.gz ZDQZKDHJXQHXAT-UHFFFAOYSA-N 0 0 245.775 3.520 20 0 BHADRN COCCSC/C=C/c1ccc(Cl)cc1 ZINC000189052053 388617920 /nfs/dbraw/zinc/61/79/20/388617920.db2.gz JHXNHNUOBVMEMB-NSCUHMNNSA-N 0 0 242.771 3.733 20 0 BHADRN CCOCCSCc1cc(Cl)ccc1F ZINC000189052225 388617618 /nfs/dbraw/zinc/61/76/18/388617618.db2.gz XOXMLMZYVGXAPA-UHFFFAOYSA-N 0 0 248.750 3.749 20 0 BHADRN CCOCCSCc1ccc(F)c(Cl)c1 ZINC000189052252 388617040 /nfs/dbraw/zinc/61/70/40/388617040.db2.gz DAMLJPWEEFJRLV-UHFFFAOYSA-N 0 0 248.750 3.749 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N(C)C1CCC1 ZINC000189086504 634163075 /nfs/dbraw/zinc/16/30/75/634163075.db2.gz KCCTYMDSJZRNOG-OAHLLOKOSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N(C)C1CCC1 ZINC000189086527 641787314 /nfs/dbraw/zinc/78/73/14/641787314.db2.gz KCCTYMDSJZRNOG-HNNXBMFYSA-N 0 0 239.403 3.994 20 0 BHADRN CCCN(CCC)C(=O)c1csc(Cl)c1 ZINC000189087909 169146111 /nfs/dbraw/zinc/14/61/11/169146111.db2.gz IADNKTKZFDAGQS-UHFFFAOYSA-N 0 0 245.775 3.664 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C[C@H]1C=CCCC1 ZINC000189088269 388621557 /nfs/dbraw/zinc/62/15/57/388621557.db2.gz UGOZJTRZTYALHX-LSDHHAIUSA-N 0 0 249.398 3.914 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C[C@H]1C=CCCC1 ZINC000189088293 388621010 /nfs/dbraw/zinc/62/10/10/388621010.db2.gz UGOZJTRZTYALHX-GJZGRUSLSA-N 0 0 249.398 3.914 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCCC1 ZINC000189088308 388621429 /nfs/dbraw/zinc/62/14/29/388621429.db2.gz UGOZJTRZTYALHX-HUUCEWRRSA-N 0 0 249.398 3.914 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C[C@@H]1C=CCCC1 ZINC000189088329 259538712 /nfs/dbraw/zinc/53/87/12/259538712.db2.gz UGOZJTRZTYALHX-CABCVRRESA-N 0 0 249.398 3.914 20 0 BHADRN O=C(C[C@H]1C=CCCC1)N1CCC[C@@H]1C1CCC1 ZINC000189093805 134540118 /nfs/dbraw/zinc/54/01/18/134540118.db2.gz IZLPWTKJEFPEGR-DZGCQCFKSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)N1CCC[C@@H]1C1CCC1 ZINC000189093832 357604568 /nfs/dbraw/zinc/60/45/68/357604568.db2.gz IZLPWTKJEFPEGR-UKRRQHHQSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@H]1C=CCCC1)N1CCC[C@H]1C1CCC1 ZINC000189093855 357604522 /nfs/dbraw/zinc/60/45/22/357604522.db2.gz IZLPWTKJEFPEGR-ZFWWWQNUSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)N1CCC[C@H]1C1CCC1 ZINC000189093872 357604597 /nfs/dbraw/zinc/60/45/97/357604597.db2.gz IZLPWTKJEFPEGR-HIFRSBDPSA-N 0 0 247.382 3.524 20 0 BHADRN Cc1ncn(C/C=C/c2ccc(Cl)cc2)c1C ZINC000189106829 388622386 /nfs/dbraw/zinc/62/23/86/388622386.db2.gz LQMZJEVYCNPNFR-ONEGZZNKSA-N 0 0 246.741 3.867 20 0 BHADRN CCOc1ccc(NC(=O)C[C@H](C)CC)c(C)c1 ZINC000189109601 388622426 /nfs/dbraw/zinc/62/24/26/388622426.db2.gz WNIFIMUUNIFGME-LLVKDONJSA-N 0 0 249.354 3.768 20 0 BHADRN CCOc1ccc(NC(=O)C[C@@H](C)CC)c(C)c1 ZINC000189109623 259539622 /nfs/dbraw/zinc/53/96/22/259539622.db2.gz WNIFIMUUNIFGME-NSHDSACASA-N 0 0 249.354 3.768 20 0 BHADRN CCc1cccc(CSC2CCOCC2)c1 ZINC000189113385 388622352 /nfs/dbraw/zinc/62/23/52/388622352.db2.gz GPJXVHCWGTZKAL-UHFFFAOYSA-N 0 0 236.380 3.661 20 0 BHADRN Cc1nccn1C/C=C/c1ccc(Cl)cc1 ZINC000189114264 259384100 /nfs/dbraw/zinc/38/41/00/259384100.db2.gz AGJVMUIHEWSZEM-NSCUHMNNSA-N 0 0 232.714 3.558 20 0 BHADRN CCc1nccn1C/C=C/c1ccc(Cl)cc1 ZINC000189114831 398097658 /nfs/dbraw/zinc/09/76/58/398097658.db2.gz NTNCHCDKHZMVFX-ONEGZZNKSA-N 0 0 246.741 3.812 20 0 BHADRN CCc1cccc(Cn2ccnc2C(C)C)c1 ZINC000189115194 398097617 /nfs/dbraw/zinc/09/76/17/398097617.db2.gz JSANLDIORPDWFS-UHFFFAOYSA-N 0 0 228.339 3.617 20 0 BHADRN C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1nccs1 ZINC000189115886 353279851 /nfs/dbraw/zinc/27/98/51/353279851.db2.gz MAGDJHJQMYYMEV-WDEREUQCSA-N 0 0 236.384 3.517 20 0 BHADRN C[C@H]([NH2+][C@H]1CCC12CCCC2)c1nccs1 ZINC000189115930 353280224 /nfs/dbraw/zinc/28/02/24/353280224.db2.gz MAGDJHJQMYYMEV-QWRGUYRKSA-N 0 0 236.384 3.517 20 0 BHADRN C/C=C(\CC)C(=O)Oc1c(F)cccc1Cl ZINC000189116653 641788948 /nfs/dbraw/zinc/78/89/48/641788948.db2.gz VGEUMQUYHRIQCF-FPYGCLRLSA-N 0 0 242.677 3.741 20 0 BHADRN CC[C@@H](C)CC(=O)N(C)c1ccc(C)cc1C ZINC000189134739 641789716 /nfs/dbraw/zinc/78/97/16/641789716.db2.gz QHDXSTHEEKPEMA-LLVKDONJSA-N 0 0 233.355 3.702 20 0 BHADRN CC[C@H](C)CC(=O)N(C)c1ccc(C)cc1C ZINC000189134764 634165667 /nfs/dbraw/zinc/16/56/67/634165667.db2.gz QHDXSTHEEKPEMA-NSHDSACASA-N 0 0 233.355 3.702 20 0 BHADRN CCN(C(=O)c1ccc(C2CCC2)cc1)C(C)C ZINC000189149022 357607017 /nfs/dbraw/zinc/60/70/17/357607017.db2.gz RFOBPZOVGBKEMF-UHFFFAOYSA-N 0 0 245.366 3.825 20 0 BHADRN Cc1cc(C(=O)NCCC2=CCCCCC2)co1 ZINC000189149067 205856375 /nfs/dbraw/zinc/85/63/75/205856375.db2.gz XUQTVWYAONSHJM-UHFFFAOYSA-N 0 0 247.338 3.598 20 0 BHADRN CSc1ccccc1NCc1ccc(F)nc1 ZINC000189151182 634166486 /nfs/dbraw/zinc/16/64/86/634166486.db2.gz VHCJYBLSYZSENO-UHFFFAOYSA-N 0 0 248.326 3.555 20 0 BHADRN CC[C@@H](C)CC(=O)N(C)c1cc(C)ccc1C ZINC000189151855 535468681 /nfs/dbraw/zinc/46/86/81/535468681.db2.gz DXXAHDQDYKBQEV-LLVKDONJSA-N 0 0 233.355 3.702 20 0 BHADRN CC[C@H](C)CC(=O)N(C)c1cc(C)ccc1C ZINC000189151872 134541068 /nfs/dbraw/zinc/54/10/68/134541068.db2.gz DXXAHDQDYKBQEV-NSHDSACASA-N 0 0 233.355 3.702 20 0 BHADRN CC[C@@H](C)CC(=O)N(C)c1cccc(C)c1C ZINC000189153350 535468715 /nfs/dbraw/zinc/46/87/15/535468715.db2.gz JZKMZIWQBCMNDO-LLVKDONJSA-N 0 0 233.355 3.702 20 0 BHADRN CC[C@H](C)CC(=O)N(C)c1cccc(C)c1C ZINC000189153372 357606933 /nfs/dbraw/zinc/60/69/33/357606933.db2.gz JZKMZIWQBCMNDO-NSHDSACASA-N 0 0 233.355 3.702 20 0 BHADRN c1ccc2cc(OCC[C@@H]3CCCO3)ccc2c1 ZINC000189159952 259543178 /nfs/dbraw/zinc/54/31/78/259543178.db2.gz HRZNXPVGRWLESL-HNNXBMFYSA-N 0 0 242.318 3.788 20 0 BHADRN c1ccc2cc(OCC[C@H]3CCCO3)ccc2c1 ZINC000189159973 388623459 /nfs/dbraw/zinc/62/34/59/388623459.db2.gz HRZNXPVGRWLESL-OAHLLOKOSA-N 0 0 242.318 3.788 20 0 BHADRN CCc1ccc(NCc2ccc(F)nc2)cc1F ZINC000189167108 641791466 /nfs/dbraw/zinc/79/14/66/641791466.db2.gz WMSUGIZLAXXRLF-UHFFFAOYSA-N 0 0 248.276 3.534 20 0 BHADRN CC(C)CCN(C)C(=O)c1csc(Cl)c1 ZINC000189168949 538980857 /nfs/dbraw/zinc/98/08/57/538980857.db2.gz JRANLGBSGBACHJ-UHFFFAOYSA-N 0 0 245.775 3.520 20 0 BHADRN Cc1cc(C)c(NCc2ccc(F)nc2)c(C)c1 ZINC000189176306 641793628 /nfs/dbraw/zinc/79/36/28/641793628.db2.gz FIAQAZFQKCECPD-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN CCc1cc(NCc2ccc(F)nc2)ccc1C ZINC000189178355 641793480 /nfs/dbraw/zinc/79/34/80/641793480.db2.gz LGFSUFKUGJOQRQ-UHFFFAOYSA-N 0 0 244.313 3.704 20 0 BHADRN C/C=C(\CC)C(=O)N([C@H](C)CC)[C@@H](C)CC ZINC000189179888 643077715 /nfs/dbraw/zinc/07/77/15/643077715.db2.gz RQNHAXIRHGTTQZ-DWQXWUMNSA-N 0 0 225.376 3.768 20 0 BHADRN C/C=C(\CC)C(=O)N([C@H](C)CC)[C@H](C)CC ZINC000189179931 641793413 /nfs/dbraw/zinc/79/34/13/641793413.db2.gz RQNHAXIRHGTTQZ-AJGRILASSA-N 0 0 225.376 3.768 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1csc(Cl)c1 ZINC000189181922 259545386 /nfs/dbraw/zinc/54/53/86/259545386.db2.gz RPHLIOCGRVQJKV-HTQZYQBOSA-N 0 0 245.775 3.566 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1csc(Cl)c1 ZINC000189181945 388624577 /nfs/dbraw/zinc/62/45/77/388624577.db2.gz RPHLIOCGRVQJKV-JGVFFNPUSA-N 0 0 245.775 3.566 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1csc(Cl)c1 ZINC000189181966 259545499 /nfs/dbraw/zinc/54/54/99/259545499.db2.gz RPHLIOCGRVQJKV-SFYZADRCSA-N 0 0 245.775 3.566 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1csc(Cl)c1 ZINC000189181998 388623826 /nfs/dbraw/zinc/62/38/26/388623826.db2.gz RPHLIOCGRVQJKV-YUMQZZPRSA-N 0 0 245.775 3.566 20 0 BHADRN C/C=C(\CC)C(=O)Nc1nccc2sccc21 ZINC000189189074 641793420 /nfs/dbraw/zinc/79/34/20/641793420.db2.gz RFNQSXKQIDOVAD-YCRREMRBSA-N 0 0 246.335 3.591 20 0 BHADRN Cc1ccnc(N[C@@H]2CCC23CCCC3)c1 ZINC000189190075 385134597 /nfs/dbraw/zinc/13/45/97/385134597.db2.gz XJRRFCYYDIAMMD-GFCCVEGCSA-N 0 0 216.328 3.525 20 0 BHADRN Cc1ccnc(N[C@H]2CCC23CCCC3)c1 ZINC000189190098 385949295 /nfs/dbraw/zinc/94/92/95/385949295.db2.gz XJRRFCYYDIAMMD-LBPRGKRZSA-N 0 0 216.328 3.525 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@@H](CC)c1cccs1 ZINC000189190973 388625503 /nfs/dbraw/zinc/62/55/03/388625503.db2.gz AGMRJCLWTRQPSC-MNOVXSKESA-N 0 0 239.384 3.752 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H](CC)c1cccs1 ZINC000189190994 259546184 /nfs/dbraw/zinc/54/61/84/259546184.db2.gz AGMRJCLWTRQPSC-QWRGUYRKSA-N 0 0 239.384 3.752 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@H](CC)c1cccs1 ZINC000189191014 388624932 /nfs/dbraw/zinc/62/49/32/388624932.db2.gz AGMRJCLWTRQPSC-GHMZBOCLSA-N 0 0 239.384 3.752 20 0 BHADRN CC[C@@H](NC(=O)C[C@@H](C)CC)c1cccs1 ZINC000189191042 388625352 /nfs/dbraw/zinc/62/53/52/388625352.db2.gz AGMRJCLWTRQPSC-WDEREUQCSA-N 0 0 239.384 3.752 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1csc(Cl)c1 ZINC000189194553 388626097 /nfs/dbraw/zinc/62/60/97/388626097.db2.gz ASZSQEDQPKHHNL-SECBINFHSA-N 0 0 245.775 3.710 20 0 BHADRN CCC[C@H](CC)NC(=O)c1csc(Cl)c1 ZINC000189194575 388625983 /nfs/dbraw/zinc/62/59/83/388625983.db2.gz ASZSQEDQPKHHNL-VIFPVBQESA-N 0 0 245.775 3.710 20 0 BHADRN COCc1cccc(N[C@@H]2CCC23CCCC3)c1 ZINC000189195669 388626150 /nfs/dbraw/zinc/62/61/50/388626150.db2.gz HAXVMEQYOHVZOG-OAHLLOKOSA-N 0 0 245.366 3.968 20 0 BHADRN COCc1cccc(N[C@H]2CCC23CCCC3)c1 ZINC000189195686 388626247 /nfs/dbraw/zinc/62/62/47/388626247.db2.gz HAXVMEQYOHVZOG-HNNXBMFYSA-N 0 0 245.366 3.968 20 0 BHADRN C/C=C(\CC)C(=O)N1CCCC[C@@H]1CCC ZINC000189196793 634172324 /nfs/dbraw/zinc/17/23/24/634172324.db2.gz AUHSLQADXMPSLX-YFTXEMMHSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccccc1CSC ZINC000189197878 385135155 /nfs/dbraw/zinc/13/51/55/385135155.db2.gz KALFTMGGTPSBGO-NYYWCZLTSA-N 0 0 249.379 3.844 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000189197917 385132918 /nfs/dbraw/zinc/13/29/18/385132918.db2.gz LMUGOCLHGGWOID-SNVBAGLBSA-N 0 0 233.355 3.987 20 0 BHADRN CC[C@H](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000189197932 171262457 /nfs/dbraw/zinc/26/24/57/171262457.db2.gz LMUGOCLHGGWOID-JTQLQIEISA-N 0 0 233.355 3.987 20 0 BHADRN CCc1cccc(C)c1NC(=O)C[C@@H](C)CC ZINC000189198910 188172230 /nfs/dbraw/zinc/17/22/30/188172230.db2.gz PZKBJYSEPYQIFF-NSHDSACASA-N 0 0 233.355 3.932 20 0 BHADRN CCc1cccc(C)c1NC(=O)C[C@H](C)CC ZINC000189198932 385134305 /nfs/dbraw/zinc/13/43/05/385134305.db2.gz PZKBJYSEPYQIFF-LLVKDONJSA-N 0 0 233.355 3.932 20 0 BHADRN CCCC(C)(C)NC(=O)c1csc(Cl)c1 ZINC000189202256 259384084 /nfs/dbraw/zinc/38/40/84/259384084.db2.gz OJVCORYBEXQEFV-UHFFFAOYSA-N 0 0 245.775 3.710 20 0 BHADRN CC(C)(C)n1cc(N[C@@H]2CCC23CCCC3)cn1 ZINC000189203175 538980963 /nfs/dbraw/zinc/98/09/63/538980963.db2.gz DSYLXKAPOLAICF-CYBMUJFWSA-N 0 0 247.386 3.773 20 0 BHADRN CC(C)(C)n1cc(N[C@H]2CCC23CCCC3)cn1 ZINC000189203188 538981045 /nfs/dbraw/zinc/98/10/45/538981045.db2.gz DSYLXKAPOLAICF-ZDUSSCGKSA-N 0 0 247.386 3.773 20 0 BHADRN C=CC[C@@H](OC(=O)C1CCC1)c1ccccc1 ZINC000189209118 643096603 /nfs/dbraw/zinc/09/66/03/643096603.db2.gz HMIMNHRKWNBODQ-CQSZACIVSA-N 0 0 230.307 3.647 20 0 BHADRN CCN(C)C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000189218583 385137587 /nfs/dbraw/zinc/13/75/87/385137587.db2.gz CQMLITRUEAZHEW-UHFFFAOYSA-N 0 0 239.746 3.555 20 0 BHADRN CC(C)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000189220044 324192584 /nfs/dbraw/zinc/19/25/84/324192584.db2.gz SDUDYMDAJASCCX-OAHLLOKOSA-N 0 0 245.366 3.570 20 0 BHADRN CC(C)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000189220065 324192607 /nfs/dbraw/zinc/19/26/07/324192607.db2.gz SDUDYMDAJASCCX-HNNXBMFYSA-N 0 0 245.366 3.570 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccsc1Cl ZINC000189225031 187312972 /nfs/dbraw/zinc/31/29/72/187312972.db2.gz KMXDPOWPYFNORP-XVNBXDOJSA-N 0 0 229.732 3.696 20 0 BHADRN C=CC[C@H](OC(=O)C1CC=CC1)c1ccccc1 ZINC000189226166 641794574 /nfs/dbraw/zinc/79/45/74/641794574.db2.gz LYDROGOPPZOIFC-HNNXBMFYSA-N 0 0 242.318 3.813 20 0 BHADRN C=CC[C@@H](OC(=O)C1CC=CC1)c1ccccc1 ZINC000189226191 641794458 /nfs/dbraw/zinc/79/44/58/641794458.db2.gz LYDROGOPPZOIFC-OAHLLOKOSA-N 0 0 242.318 3.813 20 0 BHADRN C=CC[C@H](OC(=O)C(C)C)c1ccccc1 ZINC000189239947 643106320 /nfs/dbraw/zinc/10/63/20/643106320.db2.gz XORFTAUSHVPMQS-ZDUSSCGKSA-N 0 0 218.296 3.503 20 0 BHADRN C=CC[C@@H](OC(=O)C(C)C)c1ccccc1 ZINC000189239976 643107126 /nfs/dbraw/zinc/10/71/26/643107126.db2.gz XORFTAUSHVPMQS-CYBMUJFWSA-N 0 0 218.296 3.503 20 0 BHADRN C=CC[C@H](OC(=O)[C@H]1C[C@H]1C)c1ccccc1 ZINC000189244687 641794472 /nfs/dbraw/zinc/79/44/72/641794472.db2.gz OYROBMXHWLJJTJ-XBFCOCLRSA-N 0 0 230.307 3.503 20 0 BHADRN C=CC[C@H](OC(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000189244705 641795989 /nfs/dbraw/zinc/79/59/89/641795989.db2.gz OYROBMXHWLJJTJ-UBHSHLNASA-N 0 0 230.307 3.503 20 0 BHADRN C=CC[C@H](OC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000189244732 632520835 /nfs/dbraw/zinc/52/08/35/632520835.db2.gz OYROBMXHWLJJTJ-BNOWGMLFSA-N 0 0 230.307 3.503 20 0 BHADRN C=CC[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000189244749 641795566 /nfs/dbraw/zinc/79/55/66/641795566.db2.gz OYROBMXHWLJJTJ-YUTCNCBUSA-N 0 0 230.307 3.503 20 0 BHADRN Cc1cc(C(=O)N(C)C2CCCCCCC2)co1 ZINC000189250738 641794258 /nfs/dbraw/zinc/79/42/58/641794258.db2.gz PWJHJBGQIOXHTR-UHFFFAOYSA-N 0 0 249.354 3.773 20 0 BHADRN C[C@@H](C1CC1)n1cc(NC[C@H]2CC=CCC2)cn1 ZINC000189257155 324193501 /nfs/dbraw/zinc/19/35/01/324193501.db2.gz LEUZVZJAIGTBCP-STQMWFEESA-N 0 0 245.370 3.622 20 0 BHADRN C[C@H](C1CC1)n1cc(NC[C@H]2CC=CCC2)cn1 ZINC000189257179 363174846 /nfs/dbraw/zinc/17/48/46/363174846.db2.gz LEUZVZJAIGTBCP-OLZOCXBDSA-N 0 0 245.370 3.622 20 0 BHADRN C[C@@H](C1CC1)n1cc(NC[C@@H]2CC=CCC2)cn1 ZINC000189257196 324193199 /nfs/dbraw/zinc/19/31/99/324193199.db2.gz LEUZVZJAIGTBCP-QWHCGFSZSA-N 0 0 245.370 3.622 20 0 BHADRN C[C@H](C1CC1)n1cc(NC[C@@H]2CC=CCC2)cn1 ZINC000189257217 324193405 /nfs/dbraw/zinc/19/34/05/324193405.db2.gz LEUZVZJAIGTBCP-CHWSQXEVSA-N 0 0 245.370 3.622 20 0 BHADRN C[C@@H](C1CC1)n1cc(NCc2ccsc2)cn1 ZINC000189257254 324193226 /nfs/dbraw/zinc/19/32/26/324193226.db2.gz FSXCVKZPELWUQY-JTQLQIEISA-N 0 0 247.367 3.528 20 0 BHADRN C[C@H](C1CC1)n1cc(NCc2ccsc2)cn1 ZINC000189257283 324193334 /nfs/dbraw/zinc/19/33/34/324193334.db2.gz FSXCVKZPELWUQY-SNVBAGLBSA-N 0 0 247.367 3.528 20 0 BHADRN C[C@@H](C1CC1)n1cc(NCc2cccs2)cn1 ZINC000189260132 324193236 /nfs/dbraw/zinc/19/32/36/324193236.db2.gz YQFMDDQTJOODNF-JTQLQIEISA-N 0 0 247.367 3.528 20 0 BHADRN C[C@H](C1CC1)n1cc(NCc2cccs2)cn1 ZINC000189260153 324193256 /nfs/dbraw/zinc/19/32/56/324193256.db2.gz YQFMDDQTJOODNF-SNVBAGLBSA-N 0 0 247.367 3.528 20 0 BHADRN Cc1ccc2cc(CNc3ccccn3)ccc2n1 ZINC000189267005 385979685 /nfs/dbraw/zinc/97/96/85/385979685.db2.gz QGZMDCHSPNURTI-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)c1csc(Cl)c1 ZINC000189270333 324193742 /nfs/dbraw/zinc/19/37/42/324193742.db2.gz NVUHILSCSLYUQZ-MRVPVSSYSA-N 0 0 245.775 3.520 20 0 BHADRN CC[C@H](C)CN(C)C(=O)c1csc(Cl)c1 ZINC000189270350 324193730 /nfs/dbraw/zinc/19/37/30/324193730.db2.gz NVUHILSCSLYUQZ-QMMMGPOBSA-N 0 0 245.775 3.520 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@@H]1CCCCC1(C)C ZINC000189280064 324194486 /nfs/dbraw/zinc/19/44/86/324194486.db2.gz BPSDKFMNIOROMA-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H]1CCCCC1(C)C ZINC000189280085 324194367 /nfs/dbraw/zinc/19/43/67/324194367.db2.gz BPSDKFMNIOROMA-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@H]1CCCCC1(C)C ZINC000189280103 324193979 /nfs/dbraw/zinc/19/39/79/324193979.db2.gz BPSDKFMNIOROMA-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)CC(=O)N[C@H]1CCCCC1(C)C ZINC000189280117 324193830 /nfs/dbraw/zinc/19/38/30/324193830.db2.gz BPSDKFMNIOROMA-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(CC)NC(=O)c1csc(Cl)c1 ZINC000189282147 388628816 /nfs/dbraw/zinc/62/88/16/388628816.db2.gz YWISTYUPCSNIEE-UHFFFAOYSA-N 0 0 245.775 3.710 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCCC[C@@H]1CC(C)C ZINC000189290573 388629699 /nfs/dbraw/zinc/62/96/99/388629699.db2.gz WMUPISZPUICARH-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)CC(=O)N1CCCC[C@@H]1CC(C)C ZINC000189290588 388628823 /nfs/dbraw/zinc/62/88/23/388628823.db2.gz WMUPISZPUICARH-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCCC[C@H]1CC(C)C ZINC000189290603 388629817 /nfs/dbraw/zinc/62/98/17/388629817.db2.gz WMUPISZPUICARH-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)CC(=O)N1CCCC[C@H]1CC(C)C ZINC000189290619 259550735 /nfs/dbraw/zinc/55/07/35/259550735.db2.gz WMUPISZPUICARH-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1cc(C)n(C/C=C/c2ccc(Cl)cc2)n1 ZINC000189290699 388629629 /nfs/dbraw/zinc/62/96/29/388629629.db2.gz BXZNGEJORNCFBQ-ONEGZZNKSA-N 0 0 246.741 3.867 20 0 BHADRN CCCCN(C)C(=O)Nc1ccsc1Cl ZINC000189291288 385141171 /nfs/dbraw/zinc/14/11/71/385141171.db2.gz YNQPUAFFLGZOQU-UHFFFAOYSA-N 0 0 246.763 3.665 20 0 BHADRN Cc1cnn(C/C=C/c2ccc(Cl)cc2)c1 ZINC000189295845 388630861 /nfs/dbraw/zinc/63/08/61/388630861.db2.gz PTNJHCDNSCALEZ-NSCUHMNNSA-N 0 0 232.714 3.558 20 0 BHADRN Cc1ccc(OCC[C@@H]2CCCO2)c(Cl)c1 ZINC000189299376 388631039 /nfs/dbraw/zinc/63/10/39/388631039.db2.gz JBYMCJACCNJVAP-NSHDSACASA-N 0 0 240.730 3.596 20 0 BHADRN Cc1ccc(OCC[C@H]2CCCO2)c(Cl)c1 ZINC000189299394 259550672 /nfs/dbraw/zinc/55/06/72/259550672.db2.gz JBYMCJACCNJVAP-LLVKDONJSA-N 0 0 240.730 3.596 20 0 BHADRN CC[C@@H](C)N(C)C(=O)Nc1ccsc1Cl ZINC000189311959 346869662 /nfs/dbraw/zinc/86/96/62/346869662.db2.gz CYAMOAIVUXMCES-SSDOTTSWSA-N 0 0 246.763 3.664 20 0 BHADRN CC[C@H](C)N(C)C(=O)Nc1ccsc1Cl ZINC000189311981 346869520 /nfs/dbraw/zinc/86/95/20/346869520.db2.gz CYAMOAIVUXMCES-ZETCQYMHSA-N 0 0 246.763 3.664 20 0 BHADRN CC(C)CCNC(=O)Nc1ccsc1Cl ZINC000189316229 166851214 /nfs/dbraw/zinc/85/12/14/166851214.db2.gz VWXKTHUCQLAMCP-UHFFFAOYSA-N 0 0 246.763 3.569 20 0 BHADRN CC(C)(C)CNC(=O)Nc1ccsc1Cl ZINC000189330181 166586762 /nfs/dbraw/zinc/58/67/62/166586762.db2.gz HOLKRPYYFVITPH-UHFFFAOYSA-N 0 0 246.763 3.569 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCC[C@H](CC(C)C)C1 ZINC000189331102 388630459 /nfs/dbraw/zinc/63/04/59/388630459.db2.gz HEDGYHJKOPUMJH-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)CC(=O)N1CCC[C@H](CC(C)C)C1 ZINC000189331123 388630692 /nfs/dbraw/zinc/63/06/92/388630692.db2.gz HEDGYHJKOPUMJH-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000189331144 388631021 /nfs/dbraw/zinc/63/10/21/388631021.db2.gz HEDGYHJKOPUMJH-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)CC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000189331169 259551833 /nfs/dbraw/zinc/55/18/33/259551833.db2.gz HEDGYHJKOPUMJH-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCCCC(=O)O[C@@H]1CCc2cccnc21 ZINC000189339666 634177026 /nfs/dbraw/zinc/17/70/26/634177026.db2.gz VPXMKKLWSWLXBJ-CYBMUJFWSA-N 0 0 247.338 3.583 20 0 BHADRN CCCCCCC(=O)O[C@H]1CCc2cccnc21 ZINC000189339687 641803752 /nfs/dbraw/zinc/80/37/52/641803752.db2.gz VPXMKKLWSWLXBJ-ZDUSSCGKSA-N 0 0 247.338 3.583 20 0 BHADRN CCC(C)(C)NC(=O)Nc1ccsc1Cl ZINC000189340473 168294150 /nfs/dbraw/zinc/29/41/50/168294150.db2.gz RHBOLKHVMQKRCP-UHFFFAOYSA-N 0 0 246.763 3.712 20 0 BHADRN CCCCCNC(=O)Nc1ccsc1Cl ZINC000189352168 385150108 /nfs/dbraw/zinc/15/01/08/385150108.db2.gz LBRACANJWOAQLG-UHFFFAOYSA-N 0 0 246.763 3.713 20 0 BHADRN Cc1ccc(C)c(NC(=O)C[C@H]2C=CCCC2)c1 ZINC000189357681 388631927 /nfs/dbraw/zinc/63/19/27/388631927.db2.gz VBMMUFQYHAVVHC-AWEZNQCLSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1ccc(C)c(NC(=O)C[C@@H]2C=CCCC2)c1 ZINC000189357702 388631716 /nfs/dbraw/zinc/63/17/16/388631716.db2.gz VBMMUFQYHAVVHC-CQSZACIVSA-N 0 0 243.350 3.988 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)C[C@H]1C=CCCC1 ZINC000189364949 388631968 /nfs/dbraw/zinc/63/19/68/388631968.db2.gz IEASCMYKXFRUHO-UONOGXRCSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H]1CCCCN1C(=O)C[C@H]1C=CCCC1 ZINC000189364973 259384723 /nfs/dbraw/zinc/38/47/23/259384723.db2.gz IEASCMYKXFRUHO-KBPBESRZSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCCC1 ZINC000189364996 259551633 /nfs/dbraw/zinc/55/16/33/259551633.db2.gz IEASCMYKXFRUHO-ZIAGYGMSSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H]1CCCCN1C(=O)C[C@@H]1C=CCCC1 ZINC000189365015 388631484 /nfs/dbraw/zinc/63/14/84/388631484.db2.gz IEASCMYKXFRUHO-KGLIPLIRSA-N 0 0 235.371 3.524 20 0 BHADRN CN(C(=O)C[C@H]1C=CCCC1)C1CCCCC1 ZINC000189365853 388632510 /nfs/dbraw/zinc/63/25/10/388632510.db2.gz ZSDKSYJTXHBLDM-ZDUSSCGKSA-N 0 0 235.371 3.524 20 0 BHADRN CN(C(=O)C[C@@H]1C=CCCC1)C1CCCCC1 ZINC000189365877 388631957 /nfs/dbraw/zinc/63/19/57/388631957.db2.gz ZSDKSYJTXHBLDM-CYBMUJFWSA-N 0 0 235.371 3.524 20 0 BHADRN Cc1cccc(NC(=O)C[C@H]2C=CCCC2)c1 ZINC000189371084 259326906 /nfs/dbraw/zinc/32/69/06/259326906.db2.gz HDISXMFOCUOQDS-ZDUSSCGKSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1cccc(NC(=O)C[C@@H]2C=CCCC2)c1 ZINC000189371100 388632321 /nfs/dbraw/zinc/63/23/21/388632321.db2.gz HDISXMFOCUOQDS-CYBMUJFWSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1ccccc1NC(=O)C[C@H]1C=CCCC1 ZINC000189371822 179298858 /nfs/dbraw/zinc/29/88/58/179298858.db2.gz BCDCFHGWESDALV-ZDUSSCGKSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1ccccc1NC(=O)C[C@@H]1C=CCCC1 ZINC000189371848 179298683 /nfs/dbraw/zinc/29/86/83/179298683.db2.gz BCDCFHGWESDALV-CYBMUJFWSA-N 0 0 229.323 3.680 20 0 BHADRN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)C2CC2)CC1 ZINC000189371986 388631644 /nfs/dbraw/zinc/63/16/44/388631644.db2.gz PAZFWGGGWYTNBJ-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)[C@H]1CCC[C@H](NC(=O)C2CC2)CC1 ZINC000189372012 388631827 /nfs/dbraw/zinc/63/18/27/388631827.db2.gz PAZFWGGGWYTNBJ-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)C2CC2)CC1 ZINC000189372034 259552259 /nfs/dbraw/zinc/55/22/59/259552259.db2.gz PAZFWGGGWYTNBJ-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)[C@H]1CCC[C@@H](NC(=O)C2CC2)CC1 ZINC000189372055 259552263 /nfs/dbraw/zinc/55/22/63/259552263.db2.gz PAZFWGGGWYTNBJ-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)NC(=O)Nc1ccsc1Cl ZINC000189372157 168381246 /nfs/dbraw/zinc/38/12/46/168381246.db2.gz VSMVOZXEVISCLN-UHFFFAOYSA-N 0 0 246.763 3.712 20 0 BHADRN CC(C)[C@@H](C)NC(=O)Nc1ccsc1Cl ZINC000189372218 167377125 /nfs/dbraw/zinc/37/71/25/167377125.db2.gz RMAISWPLZDPOHE-SSDOTTSWSA-N 0 0 246.763 3.568 20 0 BHADRN CC(C)[C@H](C)NC(=O)Nc1ccsc1Cl ZINC000189372239 385151443 /nfs/dbraw/zinc/15/14/43/385151443.db2.gz RMAISWPLZDPOHE-ZETCQYMHSA-N 0 0 246.763 3.568 20 0 BHADRN Cc1cccc(NC(=O)C[C@H]2C=CCCC2)c1C ZINC000189374521 259552791 /nfs/dbraw/zinc/55/27/91/259552791.db2.gz GADSAPGJXMKJGP-AWEZNQCLSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1cccc(NC(=O)C[C@@H]2C=CCCC2)c1C ZINC000189374543 388632018 /nfs/dbraw/zinc/63/20/18/388632018.db2.gz GADSAPGJXMKJGP-CQSZACIVSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1ccc(NC(=O)C[C@H]2C=CCCC2)c(C)c1 ZINC000189374978 388631924 /nfs/dbraw/zinc/63/19/24/388631924.db2.gz RNUHTCHKOGZLAR-AWEZNQCLSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)c(C)c1 ZINC000189375003 388632360 /nfs/dbraw/zinc/63/23/60/388632360.db2.gz RNUHTCHKOGZLAR-CQSZACIVSA-N 0 0 243.350 3.988 20 0 BHADRN O=C(C[C@H]1C=CCCC1)Nc1ccc(F)cc1 ZINC000189376043 259384813 /nfs/dbraw/zinc/38/48/13/259384813.db2.gz VTXADMZSHIBEQU-NSHDSACASA-N 0 0 233.286 3.511 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)Nc1ccc(F)cc1 ZINC000189376067 259552319 /nfs/dbraw/zinc/55/23/19/259552319.db2.gz VTXADMZSHIBEQU-LLVKDONJSA-N 0 0 233.286 3.511 20 0 BHADRN Cc1ccc(NC(=O)C[C@H]2C=CCCC2)cc1 ZINC000189379492 388632144 /nfs/dbraw/zinc/63/21/44/388632144.db2.gz DAELSGLIRRKERX-ZDUSSCGKSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1 ZINC000189379507 259326960 /nfs/dbraw/zinc/32/69/60/259326960.db2.gz DAELSGLIRRKERX-CYBMUJFWSA-N 0 0 229.323 3.680 20 0 BHADRN CC(F)(F)c1cccc(NC(=O)C2CCC2)c1 ZINC000189379976 167817287 /nfs/dbraw/zinc/81/72/87/167817287.db2.gz BCDCMVAPHZOPBP-UHFFFAOYSA-N 0 0 239.265 3.537 20 0 BHADRN CCCC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000189380006 385149685 /nfs/dbraw/zinc/14/96/85/385149685.db2.gz QBKQNSZDZKKHNO-UHFFFAOYSA-N 0 0 227.254 3.537 20 0 BHADRN O=C(C[C@H]1C=CCCC1)Nc1cccc(F)c1 ZINC000189381472 259552685 /nfs/dbraw/zinc/55/26/85/259552685.db2.gz VFNOYLIHNWMXCW-NSHDSACASA-N 0 0 233.286 3.511 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)Nc1cccc(F)c1 ZINC000189381496 259552284 /nfs/dbraw/zinc/55/22/84/259552284.db2.gz VFNOYLIHNWMXCW-LLVKDONJSA-N 0 0 233.286 3.511 20 0 BHADRN O=C(C[C@H]1C=CCCC1)Nc1ccccc1F ZINC000189405757 182026596 /nfs/dbraw/zinc/02/65/96/182026596.db2.gz LTEHMZZNCYVHEB-NSHDSACASA-N 0 0 233.286 3.511 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)Nc1ccccc1F ZINC000189405775 182017096 /nfs/dbraw/zinc/01/70/96/182017096.db2.gz LTEHMZZNCYVHEB-LLVKDONJSA-N 0 0 233.286 3.511 20 0 BHADRN CC(C)CC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000189410762 166773690 /nfs/dbraw/zinc/77/36/90/166773690.db2.gz VCIFOURKOWZMOQ-UHFFFAOYSA-N 0 0 241.281 3.783 20 0 BHADRN CC(C)=CC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000189410875 385153378 /nfs/dbraw/zinc/15/33/78/385153378.db2.gz OUTIDICVGBPMFM-UHFFFAOYSA-N 0 0 239.265 3.703 20 0 BHADRN Cc1cc(C(=O)N(C)CCC2CCCCC2)co1 ZINC000189425688 134548084 /nfs/dbraw/zinc/54/80/84/134548084.db2.gz QTABETCJYAAEKZ-UHFFFAOYSA-N 0 0 249.354 3.630 20 0 BHADRN Cc1cc(Oc2cc(Cl)ccc2C)nc(C)n1 ZINC000189439701 538983428 /nfs/dbraw/zinc/98/34/28/538983428.db2.gz MPTPRWDVBUBKQH-UHFFFAOYSA-N 0 0 248.713 3.848 20 0 BHADRN CCn1nccc1CCSc1ccc(C)cc1 ZINC000189451138 259384568 /nfs/dbraw/zinc/38/45/68/259384568.db2.gz ABZPWVLWFIKERB-UHFFFAOYSA-N 0 0 246.379 3.546 20 0 BHADRN Cc1cccc(NC2CC(OC(C)C)C2)c1C ZINC000189462464 386011884 /nfs/dbraw/zinc/01/18/84/386011884.db2.gz QVAOHNQQQVCKDG-UHFFFAOYSA-N 0 0 233.355 3.671 20 0 BHADRN Cc1ccc(NC2CC(OC(C)C)C2)cc1C ZINC000189464167 205866213 /nfs/dbraw/zinc/86/62/13/205866213.db2.gz GNSOSCMONTZLNI-UHFFFAOYSA-N 0 0 233.355 3.671 20 0 BHADRN Cc1ccc(NC2CC(OC(C)C)C2)cc1F ZINC000189464620 386012192 /nfs/dbraw/zinc/01/21/92/386012192.db2.gz KJFNFDURYYJCJT-UHFFFAOYSA-N 0 0 237.318 3.502 20 0 BHADRN CCn1nccc1CCSc1ccccc1C ZINC000189471058 388634241 /nfs/dbraw/zinc/63/42/41/388634241.db2.gz YGTJWTIEWUUOTR-UHFFFAOYSA-N 0 0 246.379 3.546 20 0 BHADRN CCn1nccc1CCSc1cccc(C)c1 ZINC000189471785 388634710 /nfs/dbraw/zinc/63/47/10/388634710.db2.gz UYCBKFLCLYNDEW-UHFFFAOYSA-N 0 0 246.379 3.546 20 0 BHADRN Cc1cc(NC2CC(OC(C)C)C2)ccc1F ZINC000189474243 386015221 /nfs/dbraw/zinc/01/52/21/386015221.db2.gz BQFADAATKQYMAY-UHFFFAOYSA-N 0 0 237.318 3.502 20 0 BHADRN Cc1ccc(NC2CC(OC(C)C)C2)c(F)c1 ZINC000189474523 386015211 /nfs/dbraw/zinc/01/52/11/386015211.db2.gz QYMRUNAOHHXKGJ-UHFFFAOYSA-N 0 0 237.318 3.502 20 0 BHADRN Cc1ccc(F)c(NC2CC(OC(C)C)C2)c1 ZINC000189474556 641807826 /nfs/dbraw/zinc/80/78/26/641807826.db2.gz WFSYZTNGGRAOPC-UHFFFAOYSA-N 0 0 237.318 3.502 20 0 BHADRN Cc1cc(F)ccc1NC1CC(OC(C)C)C1 ZINC000189475397 386013131 /nfs/dbraw/zinc/01/31/31/386013131.db2.gz SDIAFJKHBPDCDA-UHFFFAOYSA-N 0 0 237.318 3.502 20 0 BHADRN Cc1ccc(F)cc1NC1CC(OC(C)C)C1 ZINC000189478112 386015242 /nfs/dbraw/zinc/01/52/42/386015242.db2.gz NRCGBLBTWRHWBR-UHFFFAOYSA-N 0 0 237.318 3.502 20 0 BHADRN O=C(Nc1ccsc1)c1csc(Cl)c1 ZINC000189478306 388635149 /nfs/dbraw/zinc/63/51/49/388635149.db2.gz DHEBRMCAKPIDCK-UHFFFAOYSA-N 0 0 243.740 3.715 20 0 BHADRN Cc1cc(F)cc(NC2CC(OC(C)C)C2)c1 ZINC000189481737 205867590 /nfs/dbraw/zinc/86/75/90/205867590.db2.gz AFBMMVGENLFMRU-UHFFFAOYSA-N 0 0 237.318 3.502 20 0 BHADRN Cc1c(F)cccc1NC1CC(OC(C)C)C1 ZINC000189482055 386014214 /nfs/dbraw/zinc/01/42/14/386014214.db2.gz PRNPTPVJXCQJHM-UHFFFAOYSA-N 0 0 237.318 3.502 20 0 BHADRN CC(=O)CSc1c(Cl)cccc1Cl ZINC000189492136 387282971 /nfs/dbraw/zinc/28/29/71/387282971.db2.gz NHEOUMDTMOWXSB-UHFFFAOYSA-N 0 0 235.135 3.675 20 0 BHADRN Cc1cccc(NC2CC(OC(C)C)C2)c1F ZINC000189505556 205867304 /nfs/dbraw/zinc/86/73/04/205867304.db2.gz ZHCHOCNSEFPRIO-UHFFFAOYSA-N 0 0 237.318 3.502 20 0 BHADRN Oc1cccc(CNc2ccsc2Cl)c1 ZINC000189525131 386021574 /nfs/dbraw/zinc/02/15/74/386021574.db2.gz WBSHEOMKEUXNHQ-UHFFFAOYSA-N 0 0 239.727 3.719 20 0 BHADRN Clc1sccc1NCc1ccco1 ZINC000189525467 386022718 /nfs/dbraw/zinc/02/27/18/386022718.db2.gz PYJAGSDWGFSFGR-UHFFFAOYSA-N 0 0 213.689 3.607 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCC[C@@H]1CCC(C)C ZINC000189527858 259554381 /nfs/dbraw/zinc/55/43/81/259554381.db2.gz HXPXZXCZKVHPQH-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)CC(=O)N1CCC[C@@H]1CCC(C)C ZINC000189527877 388636515 /nfs/dbraw/zinc/63/65/15/388636515.db2.gz HXPXZXCZKVHPQH-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCC[C@H]1CCC(C)C ZINC000189527896 259554830 /nfs/dbraw/zinc/55/48/30/259554830.db2.gz HXPXZXCZKVHPQH-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)CC(=O)N1CCC[C@H]1CCC(C)C ZINC000189527919 388635899 /nfs/dbraw/zinc/63/58/99/388635899.db2.gz HXPXZXCZKVHPQH-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1C(=O)C[C@@H](C)CC ZINC000189528328 388636213 /nfs/dbraw/zinc/63/62/13/388636213.db2.gz SODVUAITRGRPMG-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)[C@H]1CCCN1C(=O)C[C@@H](C)CC ZINC000189528365 388634956 /nfs/dbraw/zinc/63/49/56/388634956.db2.gz SODVUAITRGRPMG-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1ccc(CNc2ccsc2Cl)o1 ZINC000189530507 219905772 /nfs/dbraw/zinc/90/57/72/219905772.db2.gz HFDYIBPSGKDEQV-UHFFFAOYSA-N 0 0 227.716 3.915 20 0 BHADRN CC(C)C[C@@H](C)NC(=O)c1csc(Cl)c1 ZINC000189533394 388635776 /nfs/dbraw/zinc/63/57/76/388635776.db2.gz IMXGJAAIWGJJBA-MRVPVSSYSA-N 0 0 245.775 3.566 20 0 BHADRN CC(C)C[C@H](C)NC(=O)c1csc(Cl)c1 ZINC000189533407 388635896 /nfs/dbraw/zinc/63/58/96/388635896.db2.gz IMXGJAAIWGJJBA-QMMMGPOBSA-N 0 0 245.775 3.566 20 0 BHADRN CC(F)(F)c1cccc(NCc2cc[nH]c2)c1 ZINC000189545466 386022578 /nfs/dbraw/zinc/02/25/78/386022578.db2.gz SBRFJMYWJAOJOW-UHFFFAOYSA-N 0 0 236.265 3.739 20 0 BHADRN CC(F)(F)c1cccc(NCc2ccncc2)c1 ZINC000189546419 386022216 /nfs/dbraw/zinc/02/22/16/386022216.db2.gz POTHOZQXWJCRHH-UHFFFAOYSA-N 0 0 248.276 3.805 20 0 BHADRN CC(F)(F)c1cccc(NCc2cccnc2)c1 ZINC000189549621 386026029 /nfs/dbraw/zinc/02/60/29/386026029.db2.gz MQEWMXHHDAHFIZ-UHFFFAOYSA-N 0 0 248.276 3.805 20 0 BHADRN CC(F)(F)c1cccc(NCc2ccccn2)c1 ZINC000189552909 386024659 /nfs/dbraw/zinc/02/46/59/386024659.db2.gz IUSBGTUXBDOAMJ-UHFFFAOYSA-N 0 0 248.276 3.805 20 0 BHADRN CC[C@H](NC(=O)OCC1CC1)c1ccc(C)cc1 ZINC000189574573 641812196 /nfs/dbraw/zinc/81/21/96/641812196.db2.gz GEKZETRNBZGFTB-AWEZNQCLSA-N 0 0 247.338 3.582 20 0 BHADRN CC[C@@H](NC(=O)OCC1CC1)c1ccc(C)cc1 ZINC000189574589 643307009 /nfs/dbraw/zinc/30/70/09/643307009.db2.gz GEKZETRNBZGFTB-CQSZACIVSA-N 0 0 247.338 3.582 20 0 BHADRN Cc1cc(Cl)ccc1NCC[C@@H]1CCCO1 ZINC000189584334 386033850 /nfs/dbraw/zinc/03/38/50/386033850.db2.gz AQCFZMIIEMKIGW-LBPRGKRZSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1cc(Cl)ccc1NCC[C@H]1CCCO1 ZINC000189584354 386033144 /nfs/dbraw/zinc/03/31/44/386033144.db2.gz AQCFZMIIEMKIGW-GFCCVEGCSA-N 0 0 239.746 3.629 20 0 BHADRN CCN(C(=O)c1coc(C)c1)[C@@H]1CCCC[C@@H]1C ZINC000189586480 386034005 /nfs/dbraw/zinc/03/40/05/386034005.db2.gz KGEVXWXOGXKXOP-SMDDNHRTSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1coc(C)c1)[C@H]1CCCC[C@@H]1C ZINC000189586500 205871868 /nfs/dbraw/zinc/87/18/68/205871868.db2.gz KGEVXWXOGXKXOP-FZMZJTMJSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1coc(C)c1)[C@@H]1CCCC[C@H]1C ZINC000189586520 205871215 /nfs/dbraw/zinc/87/12/15/205871215.db2.gz KGEVXWXOGXKXOP-BXUZGUMPSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1coc(C)c1)[C@H]1CCCC[C@H]1C ZINC000189586537 386033652 /nfs/dbraw/zinc/03/36/52/386033652.db2.gz KGEVXWXOGXKXOP-RISCZKNCSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1cc(C)c(NCC[C@@H]2CCCO2)c(C)c1 ZINC000189590764 259556613 /nfs/dbraw/zinc/55/66/13/259556613.db2.gz RTVVKAQSVUZPDQ-AWEZNQCLSA-N 0 0 233.355 3.593 20 0 BHADRN Cc1cc(C)c(NCC[C@H]2CCCO2)c(C)c1 ZINC000189590786 388639807 /nfs/dbraw/zinc/63/98/07/388639807.db2.gz RTVVKAQSVUZPDQ-CQSZACIVSA-N 0 0 233.355 3.593 20 0 BHADRN CCC(=O)c1cccc(NC(=O)C[C@H](C)CC)c1 ZINC000189596407 357644786 /nfs/dbraw/zinc/64/47/86/357644786.db2.gz REJAUKUOICVFOW-LLVKDONJSA-N 0 0 247.338 3.654 20 0 BHADRN CCC(=O)c1cccc(NC(=O)C[C@@H](C)CC)c1 ZINC000189596431 134548306 /nfs/dbraw/zinc/54/83/06/134548306.db2.gz REJAUKUOICVFOW-NSHDSACASA-N 0 0 247.338 3.654 20 0 BHADRN CCc1cccc(C)c1NCC[C@@H]1CCCO1 ZINC000189603412 388639238 /nfs/dbraw/zinc/63/92/38/388639238.db2.gz LMDYTSFJJMCUHD-AWEZNQCLSA-N 0 0 233.355 3.538 20 0 BHADRN CCc1cccc(C)c1NCC[C@H]1CCCO1 ZINC000189603441 259557629 /nfs/dbraw/zinc/55/76/29/259557629.db2.gz LMDYTSFJJMCUHD-CQSZACIVSA-N 0 0 233.355 3.538 20 0 BHADRN Cc1occc1[S@](=O)Cc1cc(C)cc(C)c1 ZINC000189618702 177903556 /nfs/dbraw/zinc/90/35/56/177903556.db2.gz ORPXBMFRWDWIAJ-QGZVFWFLSA-N 0 0 248.347 3.513 20 0 BHADRN Cc1occc1[S@@](=O)Cc1cc(C)cc(C)c1 ZINC000189618722 385168309 /nfs/dbraw/zinc/16/83/09/385168309.db2.gz ORPXBMFRWDWIAJ-KRWDZBQOSA-N 0 0 248.347 3.513 20 0 BHADRN CC[C@@H](c1ccccc1)[S@@](=O)c1ccoc1C 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CCC(C)(C)CNC(=O)/C(C)=C/C(C)(C)C ZINC000190874268 634197809 /nfs/dbraw/zinc/19/78/09/634197809.db2.gz ZKAGRCQOTFQREF-PKNBQFBNSA-N 0 0 225.376 3.531 20 0 BHADRN CC[C@@H](C)CC(=O)NC1(C)CCC(C)CC1 ZINC000190880574 535472965 /nfs/dbraw/zinc/47/29/65/535472965.db2.gz WBHMCVVIDFHVBO-LKSINWNRSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)CC(=O)NC1(C)CCC(C)CC1 ZINC000190880589 357728842 /nfs/dbraw/zinc/72/88/42/357728842.db2.gz WBHMCVVIDFHVBO-DCBWTQNWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)CNC(=O)c1coc2ccccc12 ZINC000190883288 205919726 /nfs/dbraw/zinc/91/97/26/205919726.db2.gz QUVCMJVWTKAMLI-UHFFFAOYSA-N 0 0 245.322 3.599 20 0 BHADRN CC[C@H](C(=O)NCC(C)(C)CC)c1ccccc1 ZINC000190886205 398270542 /nfs/dbraw/zinc/27/05/42/398270542.db2.gz RZINTXOQKVPSFW-AWEZNQCLSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C(=O)NCC(C)(C)CC)c1ccccc1 ZINC000190886223 398270531 /nfs/dbraw/zinc/27/05/31/398270531.db2.gz RZINTXOQKVPSFW-CQSZACIVSA-N 0 0 247.382 3.733 20 0 BHADRN CCCCCCC(=O)NCC(C)(C)CC ZINC000190893323 641893723 /nfs/dbraw/zinc/89/37/23/641893723.db2.gz QUWKRCFNRTWHFU-UHFFFAOYSA-N 0 0 213.365 3.509 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000190896251 345989887 /nfs/dbraw/zinc/98/98/87/345989887.db2.gz LNESQJBMKMMMST-SNVBAGLBSA-N 0 0 247.338 3.572 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000190896265 345989644 /nfs/dbraw/zinc/98/96/44/345989644.db2.gz LNESQJBMKMMMST-JTQLQIEISA-N 0 0 247.338 3.572 20 0 BHADRN CCC(C)(C)CNC(=O)C1(CC)CCCC1 ZINC000190896348 219927435 /nfs/dbraw/zinc/92/74/35/219927435.db2.gz USNURMBNKSZWJK-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC(C)(C)CNC(=O)C(C)(C)c1ccccc1 ZINC000190903065 354352283 /nfs/dbraw/zinc/35/22/83/354352283.db2.gz LMFRWMFYYCUQIE-UHFFFAOYSA-N 0 0 247.382 3.517 20 0 BHADRN CCCCSCCc1scnc1C ZINC000190903559 354356226 /nfs/dbraw/zinc/35/62/26/354356226.db2.gz WBCPSGUSLLVARD-UHFFFAOYSA-N 0 0 215.387 3.527 20 0 BHADRN Cc1ccc(CNc2cccc3ccn(C)c32)o1 ZINC000190905467 388657632 /nfs/dbraw/zinc/65/76/32/388657632.db2.gz SQLBXUJEKAPUDN-UHFFFAOYSA-N 0 0 240.306 3.692 20 0 BHADRN Cn1ccc2cccc(NCc3ccsc3)c21 ZINC000190906294 388657973 /nfs/dbraw/zinc/65/79/73/388657973.db2.gz ZSKDJOHQDMSHCK-UHFFFAOYSA-N 0 0 242.347 3.852 20 0 BHADRN Cn1ccc2cccc(NCc3cccs3)c21 ZINC000190907964 388657852 /nfs/dbraw/zinc/65/78/52/388657852.db2.gz KYOZVRUEBVBTAR-UHFFFAOYSA-N 0 0 242.347 3.852 20 0 BHADRN Cc1ncsc1CCSCCC(C)C ZINC000190915454 388658180 /nfs/dbraw/zinc/65/81/80/388658180.db2.gz UHMGKAZFQZOPOP-UHFFFAOYSA-N 0 0 229.414 3.773 20 0 BHADRN C[C@H](SCc1ncccn1)c1cccc(F)c1 ZINC000190919146 357732700 /nfs/dbraw/zinc/73/27/00/357732700.db2.gz UHYWAWUIYZSLFO-JTQLQIEISA-N 0 0 248.326 3.610 20 0 BHADRN C[C@@H](SCc1ncccn1)c1cccc(F)c1 ZINC000190919161 134566061 /nfs/dbraw/zinc/56/60/61/134566061.db2.gz UHYWAWUIYZSLFO-SNVBAGLBSA-N 0 0 248.326 3.610 20 0 BHADRN Cc1cccc(C)c1CSCc1ncccn1 ZINC000190953896 357734430 /nfs/dbraw/zinc/73/44/30/357734430.db2.gz CUDFWIJPBLJMRU-UHFFFAOYSA-N 0 0 244.363 3.527 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc2scnc2c1 ZINC000190957560 357734268 /nfs/dbraw/zinc/73/42/68/357734268.db2.gz XRYCRBQVHOPLKK-SECBINFHSA-N 0 0 248.351 3.671 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc2scnc2c1 ZINC000190957575 134566053 /nfs/dbraw/zinc/56/60/53/134566053.db2.gz XRYCRBQVHOPLKK-VIFPVBQESA-N 0 0 248.351 3.671 20 0 BHADRN Cc1ncsc1CCSCC1CCC1 ZINC000190958241 388659420 /nfs/dbraw/zinc/65/94/20/388659420.db2.gz NPPGNASGLZIZLO-UHFFFAOYSA-N 0 0 227.398 3.527 20 0 BHADRN Cc1cccc([C@@H](C)SCc2ncccn2)c1 ZINC000190959849 357734278 /nfs/dbraw/zinc/73/42/78/357734278.db2.gz GVDOPWPZUWWDMP-GFCCVEGCSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1cccc([C@H](C)SCc2ncccn2)c1 ZINC000190959862 134565844 /nfs/dbraw/zinc/56/58/44/134565844.db2.gz GVDOPWPZUWWDMP-LBPRGKRZSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1ccc(SC[C@@H]2CC[C@H](C)O2)cc1 ZINC000190969147 388659107 /nfs/dbraw/zinc/65/91/07/388659107.db2.gz FCJKPFPHSIZJET-RYUDHWBXSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccc(SC[C@H]2CC[C@H](C)O2)cc1 ZINC000190969163 259569751 /nfs/dbraw/zinc/56/97/51/259569751.db2.gz FCJKPFPHSIZJET-NWDGAFQWSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccc(SC[C@@H]2CC[C@@H](C)O2)cc1 ZINC000190969180 388659223 /nfs/dbraw/zinc/65/92/23/388659223.db2.gz FCJKPFPHSIZJET-NEPJUHHUSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccc(SC[C@H]2CC[C@@H](C)O2)cc1 ZINC000190969196 388658626 /nfs/dbraw/zinc/65/86/26/388658626.db2.gz FCJKPFPHSIZJET-VXGBXAGGSA-N 0 0 222.353 3.655 20 0 BHADRN CCC1(CC)CCCN(C(=O)c2ccoc2)CC1 ZINC000190978033 323084395 /nfs/dbraw/zinc/08/43/95/323084395.db2.gz CELCFAVBSIOEOB-UHFFFAOYSA-N 0 0 249.354 3.712 20 0 BHADRN Cc1ccccc1[C@@H](C)SCc1ncccn1 ZINC000190979658 357735690 /nfs/dbraw/zinc/73/56/90/357735690.db2.gz JKRAXTAJSQOUIE-GFCCVEGCSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1ccccc1[C@H](C)SCc1ncccn1 ZINC000190979672 179340577 /nfs/dbraw/zinc/34/05/77/179340577.db2.gz JKRAXTAJSQOUIE-LBPRGKRZSA-N 0 0 244.363 3.779 20 0 BHADRN CCC1(CC)CCCN(C(=O)C2CC=CC2)CC1 ZINC000190980187 388659295 /nfs/dbraw/zinc/65/92/95/388659295.db2.gz SRZGGJBCZWZKLF-UHFFFAOYSA-N 0 0 249.398 3.772 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cccc(C(F)F)c1 ZINC000190984391 170689439 /nfs/dbraw/zinc/68/94/39/170689439.db2.gz PHPFQSISOCYUIA-SECBINFHSA-N 0 0 241.281 3.999 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cccc(C(F)F)c1 ZINC000190984404 171263108 /nfs/dbraw/zinc/26/31/08/171263108.db2.gz PHPFQSISOCYUIA-VIFPVBQESA-N 0 0 241.281 3.999 20 0 BHADRN CCCC(=O)N1CCCC(CC)(CC)CC1 ZINC000190988019 388658994 /nfs/dbraw/zinc/65/89/94/388658994.db2.gz IOYFAMFCWCLLGK-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CCC1(CC)CCCN(C(=O)c2ccco2)CC1 ZINC000190988038 388658930 /nfs/dbraw/zinc/65/89/30/388658930.db2.gz PLRIKPJYYXJKPF-UHFFFAOYSA-N 0 0 249.354 3.712 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cccc2[nH]ccc21 ZINC000190988733 170689454 /nfs/dbraw/zinc/68/94/54/170689454.db2.gz VRLARTCYSCAWBW-SNVBAGLBSA-N 0 0 230.311 3.543 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cccc2[nH]ccc21 ZINC000190988752 171262870 /nfs/dbraw/zinc/26/28/70/171262870.db2.gz VRLARTCYSCAWBW-JTQLQIEISA-N 0 0 230.311 3.543 20 0 BHADRN CCC1(CC)CCCN(C(=O)C2CCC2)CC1 ZINC000190991881 388659277 /nfs/dbraw/zinc/65/92/77/388659277.db2.gz ZXTWVIHFBDKTJP-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@@H]1CCC[C@H](CSCc2ncccn2)C1 ZINC000190996223 357736350 /nfs/dbraw/zinc/73/63/50/357736350.db2.gz LRPYSGRJQZZCRV-NEPJUHHUSA-N 0 0 236.384 3.536 20 0 BHADRN C[C@H]1CCC[C@H](CSCc2ncccn2)C1 ZINC000190996241 134566192 /nfs/dbraw/zinc/56/61/92/134566192.db2.gz LRPYSGRJQZZCRV-RYUDHWBXSA-N 0 0 236.384 3.536 20 0 BHADRN C[C@@H]1CCC[C@@H](CSCc2ncccn2)C1 ZINC000190996257 176119443 /nfs/dbraw/zinc/11/94/43/176119443.db2.gz LRPYSGRJQZZCRV-VXGBXAGGSA-N 0 0 236.384 3.536 20 0 BHADRN C[C@H]1CCC[C@@H](CSCc2ncccn2)C1 ZINC000190996273 357736497 /nfs/dbraw/zinc/73/64/97/357736497.db2.gz LRPYSGRJQZZCRV-NWDGAFQWSA-N 0 0 236.384 3.536 20 0 BHADRN CC(C)CCC[C@@H](C)Nc1cccc(CO)c1 ZINC000190996569 388658644 /nfs/dbraw/zinc/65/86/44/388658644.db2.gz GNBIHEVJFTUDRV-CYBMUJFWSA-N 0 0 235.371 3.806 20 0 BHADRN CC(C)CCC[C@H](C)Nc1cccc(CO)c1 ZINC000190996588 259570324 /nfs/dbraw/zinc/57/03/24/259570324.db2.gz GNBIHEVJFTUDRV-ZDUSSCGKSA-N 0 0 235.371 3.806 20 0 BHADRN C[C@@H](CSCc1ncccn1)c1ccccc1 ZINC000191003668 134567048 /nfs/dbraw/zinc/56/70/48/134567048.db2.gz ALFGSYXIOOIJJY-LBPRGKRZSA-N 0 0 244.363 3.514 20 0 BHADRN C[C@H](CSCc1ncccn1)c1ccccc1 ZINC000191003683 357741731 /nfs/dbraw/zinc/74/17/31/357741731.db2.gz ALFGSYXIOOIJJY-GFCCVEGCSA-N 0 0 244.363 3.514 20 0 BHADRN CC1CCC(CSCc2ncccn2)CC1 ZINC000191014889 358502402 /nfs/dbraw/zinc/50/24/02/358502402.db2.gz KRRJDDDFNRCJSL-UHFFFAOYSA-N 0 0 236.384 3.536 20 0 BHADRN c1cnc(CSCC2CCCCCC2)nc1 ZINC000191015199 357743184 /nfs/dbraw/zinc/74/31/84/357743184.db2.gz CMAYUICMQHVFON-UHFFFAOYSA-N 0 0 236.384 3.680 20 0 BHADRN Cc1ncsc1CCSCC1CCCC1 ZINC000191015353 388659085 /nfs/dbraw/zinc/65/90/85/388659085.db2.gz HRUJBCUUAPSZIK-UHFFFAOYSA-N 0 0 241.425 3.917 20 0 BHADRN CCOCc1cccc(NC(=O)C[C@H](C)CC)c1 ZINC000191027982 385279158 /nfs/dbraw/zinc/27/91/58/385279158.db2.gz CNDNPCKWWAFZKH-GFCCVEGCSA-N 0 0 249.354 3.598 20 0 BHADRN CCOCc1cccc(NC(=O)C[C@@H](C)CC)c1 ZINC000191027996 385278651 /nfs/dbraw/zinc/27/86/51/385278651.db2.gz CNDNPCKWWAFZKH-LBPRGKRZSA-N 0 0 249.354 3.598 20 0 BHADRN CCCCCS(=O)(=O)C(CCC)CCC ZINC000191030493 259570456 /nfs/dbraw/zinc/57/04/56/259570456.db2.gz GVBQLXNMPQOJGN-UHFFFAOYSA-N 0 0 234.405 3.560 20 0 BHADRN C[C@@H]1CC[C@H](CSc2ccc(F)c(F)c2)O1 ZINC000191036145 134567486 /nfs/dbraw/zinc/56/74/86/134567486.db2.gz JSDLFNVNOKKQGG-RKDXNWHRSA-N 0 0 244.306 3.624 20 0 BHADRN C[C@H]1CC[C@H](CSc2ccc(F)c(F)c2)O1 ZINC000191036161 134567670 /nfs/dbraw/zinc/56/76/70/134567670.db2.gz JSDLFNVNOKKQGG-DTWKUNHWSA-N 0 0 244.306 3.624 20 0 BHADRN C[C@@H]1CC[C@@H](CSc2ccc(F)c(F)c2)O1 ZINC000191036176 357745387 /nfs/dbraw/zinc/74/53/87/357745387.db2.gz JSDLFNVNOKKQGG-BDAKNGLRSA-N 0 0 244.306 3.624 20 0 BHADRN C[C@H]1CC[C@@H](CSc2ccc(F)c(F)c2)O1 ZINC000191036190 357744993 /nfs/dbraw/zinc/74/49/93/357744993.db2.gz JSDLFNVNOKKQGG-IUCAKERBSA-N 0 0 244.306 3.624 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cc(C)c(O)c(C)c1C ZINC000191044518 385278861 /nfs/dbraw/zinc/27/88/61/385278861.db2.gz CUESKOXZJGNNME-WUXMJOGZSA-N 0 0 247.338 3.612 20 0 BHADRN C/C=C(/CC)C(=O)O[C@@H](c1ccccn1)C(C)C ZINC000191045685 634202749 /nfs/dbraw/zinc/20/27/49/634202749.db2.gz HDXCPSXWRVKITC-WTKLMOFPSA-N 0 0 247.338 3.678 20 0 BHADRN C/C=C(/CC)C(=O)O[C@H](c1ccccn1)C(C)C ZINC000191045700 634203879 /nfs/dbraw/zinc/20/38/79/634203879.db2.gz HDXCPSXWRVKITC-VDFGQWLZSA-N 0 0 247.338 3.678 20 0 BHADRN CCc1cc(O)ccc1NC(=O)[C@@H](C)CC(C)C ZINC000191047553 385278790 /nfs/dbraw/zinc/27/87/90/385278790.db2.gz QUHGKHKXXGHCAD-NSHDSACASA-N 0 0 249.354 3.575 20 0 BHADRN CCc1cc(O)ccc1NC(=O)[C@H](C)CC(C)C ZINC000191047568 385277138 /nfs/dbraw/zinc/27/71/38/385277138.db2.gz QUHGKHKXXGHCAD-LLVKDONJSA-N 0 0 249.354 3.575 20 0 BHADRN Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C1CC1 ZINC000191049035 323184722 /nfs/dbraw/zinc/18/47/22/323184722.db2.gz NPZJZPFMSKZQHC-UHFFFAOYSA-N 0 0 243.272 3.608 20 0 BHADRN CCc1cc(O)ccc1NC(=O)C[C@@H](C)C(C)C ZINC000191055638 188172966 /nfs/dbraw/zinc/17/29/66/188172966.db2.gz CPPKHBIKDDEUHT-LLVKDONJSA-N 0 0 249.354 3.575 20 0 BHADRN CCc1cc(O)ccc1NC(=O)C[C@H](C)C(C)C ZINC000191055657 188349701 /nfs/dbraw/zinc/34/97/01/188349701.db2.gz CPPKHBIKDDEUHT-NSHDSACASA-N 0 0 249.354 3.575 20 0 BHADRN CCC(=CC(=O)Nc1ccc(O)cc1CC)CC ZINC000191058467 168195992 /nfs/dbraw/zinc/19/59/92/168195992.db2.gz KQAIYAVPROUMTE-UHFFFAOYSA-N 0 0 247.338 3.640 20 0 BHADRN CC(C)=CCNc1cccc(-c2cnco2)c1 ZINC000191059115 357745327 /nfs/dbraw/zinc/74/53/27/357745327.db2.gz VGOZAGMSLCAPAR-UHFFFAOYSA-N 0 0 228.295 3.720 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000191060098 398100965 /nfs/dbraw/zinc/10/09/65/398100965.db2.gz PYYDOTXPSIYVJU-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000191060115 398100704 /nfs/dbraw/zinc/10/07/04/398100704.db2.gz PYYDOTXPSIYVJU-BFHYXJOUSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000191063517 357746214 /nfs/dbraw/zinc/74/62/14/357746214.db2.gz HUHYAVYDKBBMTF-VXGBXAGGSA-N 0 0 249.354 3.769 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000191063536 357745985 /nfs/dbraw/zinc/74/59/85/357745985.db2.gz HUHYAVYDKBBMTF-NWDGAFQWSA-N 0 0 249.354 3.769 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000191063553 357746296 /nfs/dbraw/zinc/74/62/96/357746296.db2.gz HUHYAVYDKBBMTF-NEPJUHHUSA-N 0 0 249.354 3.769 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000191063573 357746249 /nfs/dbraw/zinc/74/62/49/357746249.db2.gz HUHYAVYDKBBMTF-RYUDHWBXSA-N 0 0 249.354 3.769 20 0 BHADRN CCc1cc(O)ccc1NC(=O)C(C)(CC)CC ZINC000191072276 538990562 /nfs/dbraw/zinc/99/05/62/538990562.db2.gz SKQDXKXCEQJVGH-UHFFFAOYSA-N 0 0 249.354 3.719 20 0 BHADRN CC1=CCC[C@@H](C)[C@H]1CNc1ccccc1CO ZINC000191083206 205929335 /nfs/dbraw/zinc/92/93/35/205929335.db2.gz KWOSHRSTSIUKCG-HIFRSBDPSA-N 0 0 245.366 3.583 20 0 BHADRN CC1=CCC[C@H](C)[C@H]1CNc1ccccc1CO ZINC000191083219 386474579 /nfs/dbraw/zinc/47/45/79/386474579.db2.gz KWOSHRSTSIUKCG-ZFWWWQNUSA-N 0 0 245.366 3.583 20 0 BHADRN CC1=CCC[C@@H](C)[C@@H]1CNc1ccccc1CO ZINC000191083235 386473922 /nfs/dbraw/zinc/47/39/22/386473922.db2.gz KWOSHRSTSIUKCG-UKRRQHHQSA-N 0 0 245.366 3.583 20 0 BHADRN CC1=CCC[C@H](C)[C@@H]1CNc1ccccc1CO ZINC000191083251 205929330 /nfs/dbraw/zinc/92/93/30/205929330.db2.gz KWOSHRSTSIUKCG-DZGCQCFKSA-N 0 0 245.366 3.583 20 0 BHADRN CCCn1cc(NC[C@@H](C)c2ccccc2)cn1 ZINC000191096560 641900018 /nfs/dbraw/zinc/90/00/18/641900018.db2.gz SRQQOOYOOKTWKR-CYBMUJFWSA-N 0 0 243.354 3.509 20 0 BHADRN CCCn1cc(NC[C@H](C)c2ccccc2)cn1 ZINC000191096578 641901009 /nfs/dbraw/zinc/90/10/09/641901009.db2.gz SRQQOOYOOKTWKR-ZDUSSCGKSA-N 0 0 243.354 3.509 20 0 BHADRN Cc1ccccc1SC[C@@H]1CC[C@H](C)O1 ZINC000191101309 398101633 /nfs/dbraw/zinc/10/16/33/398101633.db2.gz FORDUQNLWPTMJP-RYUDHWBXSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccccc1SC[C@H]1CC[C@H](C)O1 ZINC000191101324 398101617 /nfs/dbraw/zinc/10/16/17/398101617.db2.gz FORDUQNLWPTMJP-NWDGAFQWSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccccc1SC[C@@H]1CC[C@@H](C)O1 ZINC000191101342 259571663 /nfs/dbraw/zinc/57/16/63/259571663.db2.gz FORDUQNLWPTMJP-NEPJUHHUSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccccc1SC[C@H]1CC[C@@H](C)O1 ZINC000191101360 388660548 /nfs/dbraw/zinc/66/05/48/388660548.db2.gz FORDUQNLWPTMJP-VXGBXAGGSA-N 0 0 222.353 3.655 20 0 BHADRN CCc1cc(O)ccc1NC(=O)[C@@H](C)[C@@H](C)CC ZINC000191106639 385283086 /nfs/dbraw/zinc/28/30/86/385283086.db2.gz PTDNSTJRSJUEAP-QWRGUYRKSA-N 0 0 249.354 3.575 20 0 BHADRN CCc1cc(O)ccc1NC(=O)[C@H](C)[C@@H](C)CC ZINC000191106653 385283730 /nfs/dbraw/zinc/28/37/30/385283730.db2.gz PTDNSTJRSJUEAP-WDEREUQCSA-N 0 0 249.354 3.575 20 0 BHADRN CCc1cc(O)ccc1NC(=O)[C@@H](C)[C@H](C)CC ZINC000191106666 385284653 /nfs/dbraw/zinc/28/46/53/385284653.db2.gz PTDNSTJRSJUEAP-MNOVXSKESA-N 0 0 249.354 3.575 20 0 BHADRN CCc1cc(O)ccc1NC(=O)[C@H](C)[C@H](C)CC ZINC000191106677 385283300 /nfs/dbraw/zinc/28/33/00/385283300.db2.gz PTDNSTJRSJUEAP-GHMZBOCLSA-N 0 0 249.354 3.575 20 0 BHADRN C[C@H](NCc1ccco1)c1csc(Cl)c1 ZINC000191108189 176879762 /nfs/dbraw/zinc/87/97/62/176879762.db2.gz XMJFQWRPGWVCJQ-QMMMGPOBSA-N 0 0 241.743 3.845 20 0 BHADRN C[C@@H](NCc1ccco1)c1csc(Cl)c1 ZINC000191108207 386754256 /nfs/dbraw/zinc/75/42/56/386754256.db2.gz XMJFQWRPGWVCJQ-MRVPVSSYSA-N 0 0 241.743 3.845 20 0 BHADRN Cc1cccc(SC[C@@H]2CC[C@H](C)O2)c1 ZINC000191108961 388660235 /nfs/dbraw/zinc/66/02/35/388660235.db2.gz CIVPEFQTMVPUFL-RYUDHWBXSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1cccc(SC[C@H]2CC[C@H](C)O2)c1 ZINC000191108980 388659932 /nfs/dbraw/zinc/65/99/32/388659932.db2.gz CIVPEFQTMVPUFL-NWDGAFQWSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1cccc(SC[C@@H]2CC[C@@H](C)O2)c1 ZINC000191108998 388660655 /nfs/dbraw/zinc/66/06/55/388660655.db2.gz CIVPEFQTMVPUFL-NEPJUHHUSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1cccc(SC[C@H]2CC[C@@H](C)O2)c1 ZINC000191109012 259571702 /nfs/dbraw/zinc/57/17/02/259571702.db2.gz CIVPEFQTMVPUFL-VXGBXAGGSA-N 0 0 222.353 3.655 20 0 BHADRN Cn1ccc2ccc(NC3CCCC3)cc21 ZINC000191109823 386754842 /nfs/dbraw/zinc/75/48/42/386754842.db2.gz ZMTBDFLDDQQSRW-UHFFFAOYSA-N 0 0 214.312 3.533 20 0 BHADRN Cn1ccc2ccc(NCc3ccsc3)cc21 ZINC000191112136 634205750 /nfs/dbraw/zinc/20/57/50/634205750.db2.gz BNXDENGVELTTAS-UHFFFAOYSA-N 0 0 242.347 3.852 20 0 BHADRN Cc1csc2c1ncnc2N[C@H]1CC=CCC1 ZINC000191138705 134569359 /nfs/dbraw/zinc/56/93/59/134569359.db2.gz FYBOMHNCIZDWOK-JTQLQIEISA-N 0 0 245.351 3.520 20 0 BHADRN Cc1csc2c1ncnc2N[C@@H]1CC=CCC1 ZINC000191138725 357753057 /nfs/dbraw/zinc/75/30/57/357753057.db2.gz FYBOMHNCIZDWOK-SNVBAGLBSA-N 0 0 245.351 3.520 20 0 BHADRN CCC(C)(C)NC(=O)c1ccc(C)cc1Cl ZINC000191143058 323184901 /nfs/dbraw/zinc/18/49/01/323184901.db2.gz VUNPKNFAPNJXGT-UHFFFAOYSA-N 0 0 239.746 3.567 20 0 BHADRN CCC(CC)NC(=O)c1ccc(C)cc1Cl ZINC000191151488 386767246 /nfs/dbraw/zinc/76/72/46/386767246.db2.gz AYVYHZJGPNNXTD-UHFFFAOYSA-N 0 0 239.746 3.567 20 0 BHADRN C[C@@H]1CC[C@H](CSC2=Nc3ccccc3C2)O1 ZINC000191152545 176227732 /nfs/dbraw/zinc/22/77/32/176227732.db2.gz XMFNTTDLBUSEJG-ZYHUDNBSSA-N 0 0 247.363 3.573 20 0 BHADRN C[C@H]1CC[C@H](CSC2=Nc3ccccc3C2)O1 ZINC000191152560 177203108 /nfs/dbraw/zinc/20/31/08/177203108.db2.gz XMFNTTDLBUSEJG-CMPLNLGQSA-N 0 0 247.363 3.573 20 0 BHADRN C[C@@H]1CC[C@@H](CSC2=Nc3ccccc3C2)O1 ZINC000191152576 176206351 /nfs/dbraw/zinc/20/63/51/176206351.db2.gz XMFNTTDLBUSEJG-PWSUYJOCSA-N 0 0 247.363 3.573 20 0 BHADRN C[C@H]1CC[C@@H](CSC2=Nc3ccccc3C2)O1 ZINC000191152596 177190466 /nfs/dbraw/zinc/19/04/66/177190466.db2.gz XMFNTTDLBUSEJG-JQWIXIFHSA-N 0 0 247.363 3.573 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cc(F)ccc1Cl ZINC000191155506 187314675 /nfs/dbraw/zinc/31/46/75/187314675.db2.gz OQOJHEZEINKZNS-FPYGCLRLSA-N 0 0 241.693 3.774 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@@H](CC)Cc1ccccc1 ZINC000191155908 388660672 /nfs/dbraw/zinc/66/06/72/388660672.db2.gz QZMKCUOYFXQHGC-HIFRSBDPSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H](CC)Cc1ccccc1 ZINC000191155924 388660039 /nfs/dbraw/zinc/66/00/39/388660039.db2.gz QZMKCUOYFXQHGC-ZFWWWQNUSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@H](CC)Cc1ccccc1 ZINC000191155945 388660229 /nfs/dbraw/zinc/66/02/29/388660229.db2.gz QZMKCUOYFXQHGC-UKRRQHHQSA-N 0 0 247.382 3.560 20 0 BHADRN CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC ZINC000191155960 388660283 /nfs/dbraw/zinc/66/02/83/388660283.db2.gz QZMKCUOYFXQHGC-DZGCQCFKSA-N 0 0 247.382 3.560 20 0 BHADRN CCCCN(C)C(=O)c1ccc(C)cc1Cl ZINC000191157926 528335405 /nfs/dbraw/zinc/33/54/05/528335405.db2.gz QICYTGBWHFSZHM-UHFFFAOYSA-N 0 0 239.746 3.521 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cc(F)ccc1Cl ZINC000191162833 359535121 /nfs/dbraw/zinc/53/51/21/359535121.db2.gz NYAHPYUHHFCVPS-MRVPVSSYSA-N 0 0 243.709 3.854 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cc(F)ccc1Cl ZINC000191162845 359535335 /nfs/dbraw/zinc/53/53/35/359535335.db2.gz NYAHPYUHHFCVPS-QMMMGPOBSA-N 0 0 243.709 3.854 20 0 BHADRN CCCCC[S@@](=O)c1ccc(Cl)cc1 ZINC000191170543 535139388 /nfs/dbraw/zinc/13/93/88/535139388.db2.gz MPBKPTQOKAJVII-CQSZACIVSA-N 0 0 230.760 3.638 20 0 BHADRN CCCCC[S@](=O)c1ccc(Cl)cc1 ZINC000191170557 357739811 /nfs/dbraw/zinc/73/98/11/357739811.db2.gz MPBKPTQOKAJVII-AWEZNQCLSA-N 0 0 230.760 3.638 20 0 BHADRN CCCCC[S@@](=O)c1ccc(C)c(C)c1 ZINC000191173034 398101916 /nfs/dbraw/zinc/10/19/16/398101916.db2.gz CGDFMBWHHDIEPZ-OAHLLOKOSA-N 0 0 224.369 3.601 20 0 BHADRN CCCCC[S@](=O)c1ccc(C)c(C)c1 ZINC000191173047 398101480 /nfs/dbraw/zinc/10/14/80/398101480.db2.gz CGDFMBWHHDIEPZ-HNNXBMFYSA-N 0 0 224.369 3.601 20 0 BHADRN CCCCC[S@@](=O)c1cc(C)ccc1C ZINC000191173376 398101490 /nfs/dbraw/zinc/10/14/90/398101490.db2.gz VOCPJIJXELTLOX-OAHLLOKOSA-N 0 0 224.369 3.601 20 0 BHADRN CCCCC[S@](=O)c1cc(C)ccc1C ZINC000191173389 259572047 /nfs/dbraw/zinc/57/20/47/259572047.db2.gz VOCPJIJXELTLOX-HNNXBMFYSA-N 0 0 224.369 3.601 20 0 BHADRN CCCCC[S@@](=O)c1ccc(C)cc1C ZINC000191173708 398101864 /nfs/dbraw/zinc/10/18/64/398101864.db2.gz KJOOGQUVPOBXEU-OAHLLOKOSA-N 0 0 224.369 3.601 20 0 BHADRN CCCCC[S@](=O)c1ccc(C)cc1C ZINC000191173718 398101772 /nfs/dbraw/zinc/10/17/72/398101772.db2.gz KJOOGQUVPOBXEU-HNNXBMFYSA-N 0 0 224.369 3.601 20 0 BHADRN C/C=C(\CC)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000191174778 641904577 /nfs/dbraw/zinc/90/45/77/641904577.db2.gz JBPVOHNTYQCZBJ-XMCXJYRPSA-N 0 0 243.306 3.519 20 0 BHADRN C/C=C(\CC)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000191174800 634205540 /nfs/dbraw/zinc/20/55/40/634205540.db2.gz JBPVOHNTYQCZBJ-OAPSQGNVSA-N 0 0 243.306 3.519 20 0 BHADRN CCC[C@@H](C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191177975 347345013 /nfs/dbraw/zinc/34/50/13/347345013.db2.gz CQRGREYULPHBHJ-GFCCVEGCSA-N 0 0 245.366 3.616 20 0 BHADRN CCC[C@H](C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191177990 357739895 /nfs/dbraw/zinc/73/98/95/357739895.db2.gz CQRGREYULPHBHJ-LBPRGKRZSA-N 0 0 245.366 3.616 20 0 BHADRN CC[C@@H](C)CC(=O)NCc1ccc(C2CC2)cc1 ZINC000191182221 357740035 /nfs/dbraw/zinc/74/00/35/357740035.db2.gz PYEDCRQQSPBDPO-GFCCVEGCSA-N 0 0 245.366 3.616 20 0 BHADRN CC[C@H](C)CC(=O)NCc1ccc(C2CC2)cc1 ZINC000191182237 134566769 /nfs/dbraw/zinc/56/67/69/134566769.db2.gz PYEDCRQQSPBDPO-LBPRGKRZSA-N 0 0 245.366 3.616 20 0 BHADRN CCCCC[S@@](=O)c1cccc(Cl)c1 ZINC000191182479 357740138 /nfs/dbraw/zinc/74/01/38/357740138.db2.gz ANDMTANQXINKTJ-CQSZACIVSA-N 0 0 230.760 3.638 20 0 BHADRN CCCCC[S@](=O)c1cccc(Cl)c1 ZINC000191182494 357739822 /nfs/dbraw/zinc/73/98/22/357739822.db2.gz ANDMTANQXINKTJ-AWEZNQCLSA-N 0 0 230.760 3.638 20 0 BHADRN CC(C)CCC(=O)NCc1ccc(C2CC2)cc1 ZINC000191186667 134566555 /nfs/dbraw/zinc/56/65/55/134566555.db2.gz QNUPDOXOVPBEAI-UHFFFAOYSA-N 0 0 245.366 3.616 20 0 BHADRN CC(C)(C)CC(=O)NCc1ccc(C2CC2)cc1 ZINC000191189133 357740929 /nfs/dbraw/zinc/74/09/29/357740929.db2.gz SWUJNNOIXOAABB-UHFFFAOYSA-N 0 0 245.366 3.616 20 0 BHADRN C[C@H](NCc1ccoc1)c1csc(Cl)c1 ZINC000191198788 355344497 /nfs/dbraw/zinc/34/44/97/355344497.db2.gz HRLLBUUCRZZNNM-QMMMGPOBSA-N 0 0 241.743 3.845 20 0 BHADRN C[C@@H](NCc1ccoc1)c1csc(Cl)c1 ZINC000191198804 355344401 /nfs/dbraw/zinc/34/44/01/355344401.db2.gz HRLLBUUCRZZNNM-MRVPVSSYSA-N 0 0 241.743 3.845 20 0 BHADRN CCN(C(=O)c1ccc(C)cc1Cl)C(C)C ZINC000191203326 205932464 /nfs/dbraw/zinc/93/24/64/205932464.db2.gz TWUVPSIWVFMKKG-UHFFFAOYSA-N 0 0 239.746 3.519 20 0 BHADRN COc1cccc(OC)c1SC/C=C/Cl ZINC000191228906 175282770 /nfs/dbraw/zinc/28/27/70/175282770.db2.gz RXUFOAYRSCRJRT-QPJJXVBHSA-N 0 0 244.743 3.548 20 0 BHADRN C/C=C(\CC)C(=O)N(Cc1ccccc1)C(C)C ZINC000191229481 641908696 /nfs/dbraw/zinc/90/86/96/641908696.db2.gz OWDCLBFFRSOMKM-PJQLUOCWSA-N 0 0 245.366 3.780 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cccc(Cl)c1F ZINC000191235757 388660948 /nfs/dbraw/zinc/66/09/48/388660948.db2.gz CLNNCAXNFFNNAN-MRVPVSSYSA-N 0 0 243.709 3.854 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cccc(Cl)c1F ZINC000191235772 388660991 /nfs/dbraw/zinc/66/09/91/388660991.db2.gz CLNNCAXNFFNNAN-QMMMGPOBSA-N 0 0 243.709 3.854 20 0 BHADRN CC[C@@H](C)N(C)C(=O)c1ccc(C)cc1Cl ZINC000191236041 386790431 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ZINC000191576865 386978403 /nfs/dbraw/zinc/97/84/03/386978403.db2.gz ZXGLSRYIJYAASM-ZDUSSCGKSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1N[C@H](C)C1CCCC1 ZINC000191576883 386978227 /nfs/dbraw/zinc/97/82/27/386978227.db2.gz ZXGLSRYIJYAASM-CYBMUJFWSA-N 0 0 247.382 3.866 20 0 BHADRN CCCC[C@@H](C)Nc1ccccc1CCOC ZINC000191577005 386978376 /nfs/dbraw/zinc/97/83/76/386978376.db2.gz IZFMAPMGVXCABJ-CYBMUJFWSA-N 0 0 235.371 3.866 20 0 BHADRN CCCC[C@H](C)Nc1ccccc1CCOC ZINC000191577020 386978366 /nfs/dbraw/zinc/97/83/66/386978366.db2.gz IZFMAPMGVXCABJ-ZDUSSCGKSA-N 0 0 235.371 3.866 20 0 BHADRN COCCc1ccccc1N[C@H](C)CC(C)C ZINC000191577039 386978691 /nfs/dbraw/zinc/97/86/91/386978691.db2.gz SBCPYEKAZMKEPQ-CYBMUJFWSA-N 0 0 235.371 3.722 20 0 BHADRN COCCc1ccccc1N[C@@H](C)CC(C)C ZINC000191577057 386978731 /nfs/dbraw/zinc/97/87/31/386978731.db2.gz SBCPYEKAZMKEPQ-ZDUSSCGKSA-N 0 0 235.371 3.722 20 0 BHADRN COCCc1ccccc1N[C@@H](C)CCC1CC1 ZINC000191577183 388665105 /nfs/dbraw/zinc/66/51/05/388665105.db2.gz 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CCC[C@H](C)C(=O)Nc1cccc2ccn(C)c21 ZINC000191580761 259575532 /nfs/dbraw/zinc/57/55/32/259575532.db2.gz HKMJVAKEDKGQBK-NSHDSACASA-N 0 0 244.338 3.553 20 0 BHADRN CCC(CC)C(=O)Nc1cccc2ccn(C)c21 ZINC000191585878 357786809 /nfs/dbraw/zinc/78/68/09/357786809.db2.gz IWJYLHATDPXGNH-UHFFFAOYSA-N 0 0 244.338 3.553 20 0 BHADRN C/C=C(/CC)c1nc(-c2cccc(OC)c2)no1 ZINC000191589647 259575806 /nfs/dbraw/zinc/57/58/06/259575806.db2.gz WWFGOKSILJYDNY-WMZJFQQLSA-N 0 0 244.294 3.559 20 0 BHADRN CC(C)CCC(=O)Nc1cccc2ccn(C)c21 ZINC000191600576 388665938 /nfs/dbraw/zinc/66/59/38/388665938.db2.gz MUIKBQIKZLYWGG-UHFFFAOYSA-N 0 0 244.338 3.553 20 0 BHADRN CCC(C)(C)C(=O)Nc1cccc2ccn(C)c21 ZINC000191601646 357788610 /nfs/dbraw/zinc/78/86/10/357788610.db2.gz OHXADRNIDFKRGY-UHFFFAOYSA-N 0 0 244.338 3.553 20 0 BHADRN Cn1ccc2cccc(NC(=O)CC(C)(C)C)c21 ZINC000191604949 259389326 /nfs/dbraw/zinc/38/93/26/259389326.db2.gz OOERMCXVDWQFCX-UHFFFAOYSA-N 0 0 244.338 3.553 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000191621714 385310440 /nfs/dbraw/zinc/31/04/40/385310440.db2.gz FGIQOUSDCUUELB-UKRRQHHQSA-N 0 0 245.366 3.786 20 0 BHADRN CC[C@H](C)CC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000191621725 171258253 /nfs/dbraw/zinc/25/82/53/171258253.db2.gz FGIQOUSDCUUELB-DZGCQCFKSA-N 0 0 245.366 3.786 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCC[C@H]1c1ccccc1 ZINC000191621740 385310843 /nfs/dbraw/zinc/31/08/43/385310843.db2.gz FGIQOUSDCUUELB-HIFRSBDPSA-N 0 0 245.366 3.786 20 0 BHADRN CC[C@H](C)CC(=O)N1CCC[C@H]1c1ccccc1 ZINC000191621755 171258586 /nfs/dbraw/zinc/25/85/86/171258586.db2.gz FGIQOUSDCUUELB-ZFWWWQNUSA-N 0 0 245.366 3.786 20 0 BHADRN CCCCC(=O)N(C)c1ccc(OC(C)C)cc1 ZINC000191630067 385311561 /nfs/dbraw/zinc/31/15/61/385311561.db2.gz IJOSMCAXTUBMHK-UHFFFAOYSA-N 0 0 249.354 3.627 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000191645002 388667679 /nfs/dbraw/zinc/66/76/79/388667679.db2.gz FPJPMNVNCVBCCH-WBMJQRKESA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000191645021 388667267 /nfs/dbraw/zinc/66/72/67/388667267.db2.gz FPJPMNVNCVBCCH-LRDDRELGSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000191645034 388667002 /nfs/dbraw/zinc/66/70/02/388667002.db2.gz FPJPMNVNCVBCCH-MLGOLLRUSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@H](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000191645048 388667376 /nfs/dbraw/zinc/66/73/76/388667376.db2.gz FPJPMNVNCVBCCH-BLLLJJGKSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cnc2ccccc2c1 ZINC000191649809 535479972 /nfs/dbraw/zinc/47/99/72/535479972.db2.gz OPMKRJDOEHSYES-LLVKDONJSA-N 0 0 242.322 3.610 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cnc2ccccc2c1 ZINC000191649826 357781009 /nfs/dbraw/zinc/78/10/09/357781009.db2.gz OPMKRJDOEHSYES-NSHDSACASA-N 0 0 242.322 3.610 20 0 BHADRN C/C=C(\CC)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000191658162 641937528 /nfs/dbraw/zinc/93/75/28/641937528.db2.gz WIZXPOIRVVYYCL-TYMUOXQOSA-N 0 0 247.382 3.692 20 0 BHADRN C/C=C(\CC)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000191658180 641936832 /nfs/dbraw/zinc/93/68/32/641936832.db2.gz WIZXPOIRVVYYCL-TWQVXDNOSA-N 0 0 247.382 3.692 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccccc1SC ZINC000191666965 357782276 /nfs/dbraw/zinc/78/22/76/357782276.db2.gz SFTNVCWXURSPMM-SNVBAGLBSA-N 0 0 237.368 3.783 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccccc1SC ZINC000191666982 134952499 /nfs/dbraw/zinc/95/24/99/134952499.db2.gz SFTNVCWXURSPMM-JTQLQIEISA-N 0 0 237.368 3.783 20 0 BHADRN CCc1ccccc1NC(=O)C[C@@H](C)CC ZINC000191677300 171885731 /nfs/dbraw/zinc/88/57/31/171885731.db2.gz FSIXQGQIQRUHQX-NSHDSACASA-N 0 0 219.328 3.624 20 0 BHADRN CCc1ccccc1NC(=O)C[C@H](C)CC ZINC000191677313 385315647 /nfs/dbraw/zinc/31/56/47/385315647.db2.gz FSIXQGQIQRUHQX-LLVKDONJSA-N 0 0 219.328 3.624 20 0 BHADRN CCCOc1ccccc1NC(=O)C[C@@H](C)CC ZINC000191677633 259576998 /nfs/dbraw/zinc/57/69/98/259576998.db2.gz WESHLMFZOQPEIV-LBPRGKRZSA-N 0 0 249.354 3.850 20 0 BHADRN CCCOc1ccccc1NC(=O)C[C@H](C)CC ZINC000191677646 388666906 /nfs/dbraw/zinc/66/69/06/388666906.db2.gz WESHLMFZOQPEIV-GFCCVEGCSA-N 0 0 249.354 3.850 20 0 BHADRN CC[C@@H](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000191696197 357800593 /nfs/dbraw/zinc/80/05/93/357800593.db2.gz GLUNXBKWGZPZPZ-CYBMUJFWSA-N 0 0 245.366 3.614 20 0 BHADRN CC[C@H](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000191696212 357800287 /nfs/dbraw/zinc/80/02/87/357800287.db2.gz GLUNXBKWGZPZPZ-ZDUSSCGKSA-N 0 0 245.366 3.614 20 0 BHADRN C/C=C(\CC)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000191698745 641938979 /nfs/dbraw/zinc/93/89/79/641938979.db2.gz ICHLPJZMVAPMNZ-VYAXBHEWSA-N 0 0 245.366 3.837 20 0 BHADRN C/C=C(\CC)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000191698760 641939404 /nfs/dbraw/zinc/93/94/04/641939404.db2.gz ICHLPJZMVAPMNZ-IAEDUXEVSA-N 0 0 245.366 3.837 20 0 BHADRN CC[C@@H](C)CC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000191702995 170685153 /nfs/dbraw/zinc/68/51/53/170685153.db2.gz AXIBLCGCXINYGB-IUODEOHRSA-N 0 0 245.366 3.569 20 0 BHADRN CC[C@H](C)CC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000191703011 171257759 /nfs/dbraw/zinc/25/77/59/171257759.db2.gz AXIBLCGCXINYGB-SWLSCSKDSA-N 0 0 245.366 3.569 20 0 BHADRN CC[C@@H](C)CC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000191703026 385315095 /nfs/dbraw/zinc/31/50/95/385315095.db2.gz AXIBLCGCXINYGB-DOMZBBRYSA-N 0 0 245.366 3.569 20 0 BHADRN CC[C@H](C)CC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000191703041 171257702 /nfs/dbraw/zinc/25/77/02/171257702.db2.gz AXIBLCGCXINYGB-WFASDCNBSA-N 0 0 245.366 3.569 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000191717434 170690027 /nfs/dbraw/zinc/69/00/27/170690027.db2.gz RBJHIUNISWLARJ-SNVBAGLBSA-N 0 0 230.311 3.543 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000191717448 171262432 /nfs/dbraw/zinc/26/24/32/171262432.db2.gz RBJHIUNISWLARJ-JTQLQIEISA-N 0 0 230.311 3.543 20 0 BHADRN CC(C)=CCNC(=O)c1cccc2ccccc21 ZINC000191734408 388668686 /nfs/dbraw/zinc/66/86/86/388668686.db2.gz NBDWYMLKHFOHPY-UHFFFAOYSA-N 0 0 239.318 3.536 20 0 BHADRN CCC[C@H](C(=O)NCC=C(C)C)c1ccccc1 ZINC000191735549 388668777 /nfs/dbraw/zinc/66/87/77/388668777.db2.gz DADOADCHLMDKNG-HNNXBMFYSA-N 0 0 245.366 3.653 20 0 BHADRN CCC[C@@H](C(=O)NCC=C(C)C)c1ccccc1 ZINC000191735565 388668785 /nfs/dbraw/zinc/66/87/85/388668785.db2.gz DADOADCHLMDKNG-OAHLLOKOSA-N 0 0 245.366 3.653 20 0 BHADRN CC(C)=CCNC(=O)c1cc2ccccc2s1 ZINC000191737293 388668478 /nfs/dbraw/zinc/66/84/78/388668478.db2.gz PSNSYYKLHLXRPZ-UHFFFAOYSA-N 0 0 245.347 3.597 20 0 BHADRN CCCCN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000191737328 357792388 /nfs/dbraw/zinc/79/23/88/357792388.db2.gz NFMKNGDOWZBOEI-UHFFFAOYSA-N 0 0 245.366 3.826 20 0 BHADRN CC(C)=CCNC(=O)c1csc2ccccc12 ZINC000191738862 259577808 /nfs/dbraw/zinc/57/78/08/259577808.db2.gz IYEGDFICILAMHE-UHFFFAOYSA-N 0 0 245.347 3.597 20 0 BHADRN CC[C@@H](C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000191739580 388668705 /nfs/dbraw/zinc/66/87/05/388668705.db2.gz BIBMGDZJSNFRTM-CQSZACIVSA-N 0 0 247.382 3.860 20 0 BHADRN CC[C@H](C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000191739596 259577817 /nfs/dbraw/zinc/57/78/17/259577817.db2.gz BIBMGDZJSNFRTM-AWEZNQCLSA-N 0 0 247.382 3.860 20 0 BHADRN CC[C@@H](C)CC(=O)N(CC)c1ccc(F)cc1 ZINC000191741793 535468181 /nfs/dbraw/zinc/46/81/81/535468181.db2.gz ICYKSSRJXFKHAC-LLVKDONJSA-N 0 0 237.318 3.615 20 0 BHADRN CC[C@H](C)CC(=O)N(CC)c1ccc(F)cc1 ZINC000191741807 134575810 /nfs/dbraw/zinc/57/58/10/134575810.db2.gz ICYKSSRJXFKHAC-NSHDSACASA-N 0 0 237.318 3.615 20 0 BHADRN CC[C@@H](C)CC(=O)N(C)C1CCCCCC1 ZINC000191742437 388668148 /nfs/dbraw/zinc/66/81/48/388668148.db2.gz XRGOGAVDSPSKHQ-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CC[C@H](C)CC(=O)N(C)C1CCCCCC1 ZINC000191742454 388668181 /nfs/dbraw/zinc/66/81/81/388668181.db2.gz XRGOGAVDSPSKHQ-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CC(C)=CCNC(=O)CC/C=C/c1ccccc1 ZINC000191756346 385322119 /nfs/dbraw/zinc/32/21/19/385322119.db2.gz LHROMQKJQRISON-UXBLZVDNSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)=CCNC(=O)c1ccc2ccccc2c1 ZINC000191763749 388669508 /nfs/dbraw/zinc/66/95/08/388669508.db2.gz NGEKFQWOSNSJIH-UHFFFAOYSA-N 0 0 239.318 3.536 20 0 BHADRN C/C=C(/CC)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000191769269 641943760 /nfs/dbraw/zinc/94/37/60/641943760.db2.gz BZMVOBDETROLMK-QVXXFUFASA-N 0 0 245.366 3.571 20 0 BHADRN C/C=C(/CC)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000191769282 634221268 /nfs/dbraw/zinc/22/12/68/634221268.db2.gz BZMVOBDETROLMK-FGFBTAOXSA-N 0 0 245.366 3.571 20 0 BHADRN CC(C)=CCNC(=O)[C@H](c1ccccc1)C(C)C ZINC000191790162 388670975 /nfs/dbraw/zinc/67/09/75/388670975.db2.gz BJZPDLOHVDSRBE-HNNXBMFYSA-N 0 0 245.366 3.509 20 0 BHADRN CC(C)=CCNC(=O)[C@@H](c1ccccc1)C(C)C ZINC000191790179 388670263 /nfs/dbraw/zinc/67/02/63/388670263.db2.gz BJZPDLOHVDSRBE-OAHLLOKOSA-N 0 0 245.366 3.509 20 0 BHADRN CC(C)=CCNC(=O)CC[C@H](C)c1ccccc1 ZINC000191791669 188350486 /nfs/dbraw/zinc/35/04/86/188350486.db2.gz WCDJRZOOMPYCMR-AWEZNQCLSA-N 0 0 245.366 3.653 20 0 BHADRN CC(C)=CCNC(=O)CC[C@@H](C)c1ccccc1 ZINC000191791685 188004503 /nfs/dbraw/zinc/00/45/03/188004503.db2.gz WCDJRZOOMPYCMR-CQSZACIVSA-N 0 0 245.366 3.653 20 0 BHADRN CC[C@@H](CC(=O)NCC=C(C)C)c1ccccc1 ZINC000191803406 259578368 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CC[C@@H](C)CC(=O)Oc1cccc2[nH]ccc21 ZINC000192239189 644138898 /nfs/dbraw/zinc/13/88/98/644138898.db2.gz CDTVIHDCDWQCSW-SNVBAGLBSA-N 0 0 231.295 3.510 20 0 BHADRN CC[C@H](C)CC(=O)Oc1cccc2[nH]ccc21 ZINC000192239192 644140279 /nfs/dbraw/zinc/14/02/79/644140279.db2.gz CDTVIHDCDWQCSW-JTQLQIEISA-N 0 0 231.295 3.510 20 0 BHADRN CC[C@@H](C)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000192242781 644139880 /nfs/dbraw/zinc/13/98/80/644139880.db2.gz WVZCOOGPXKGRKG-NEPJUHHUSA-N 0 0 245.322 3.599 20 0 BHADRN CC[C@H](C)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000192242785 644140099 /nfs/dbraw/zinc/14/00/99/644140099.db2.gz WVZCOOGPXKGRKG-RYUDHWBXSA-N 0 0 245.322 3.599 20 0 BHADRN CC[C@@H](C)CC(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000192242789 644139460 /nfs/dbraw/zinc/13/94/60/644139460.db2.gz WVZCOOGPXKGRKG-VXGBXAGGSA-N 0 0 245.322 3.599 20 0 BHADRN CC[C@H](C)CC(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000192242794 644139274 /nfs/dbraw/zinc/13/92/74/644139274.db2.gz WVZCOOGPXKGRKG-NWDGAFQWSA-N 0 0 245.322 3.599 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)c1ccnn1C ZINC000192244636 397892498 /nfs/dbraw/zinc/89/24/98/397892498.db2.gz ITNGPSIWNIYCFB-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)c1ccnn1C ZINC000192244642 397892465 /nfs/dbraw/zinc/89/24/65/397892465.db2.gz ITNGPSIWNIYCFB-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccnn2C)cc1Cl ZINC000192244742 397892510 /nfs/dbraw/zinc/89/25/10/397892510.db2.gz BTHJUQRIYVWVCF-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccnn2C)cc1Cl ZINC000192244748 397892448 /nfs/dbraw/zinc/89/24/48/397892448.db2.gz BTHJUQRIYVWVCF-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)c1ccnn1C ZINC000192244931 177602421 /nfs/dbraw/zinc/60/24/21/177602421.db2.gz RAUFEZJYCMTUJA-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)c1ccnn1C ZINC000192244936 397892535 /nfs/dbraw/zinc/89/25/35/397892535.db2.gz RAUFEZJYCMTUJA-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2ccnn2C)cc1 ZINC000192245164 397892348 /nfs/dbraw/zinc/89/23/48/397892348.db2.gz WRXIIIILEFZLRK-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2ccnn2C)cc1 ZINC000192245170 397892468 /nfs/dbraw/zinc/89/24/68/397892468.db2.gz WRXIIIILEFZLRK-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H](C)c1ccnn1C ZINC000192245935 357834791 /nfs/dbraw/zinc/83/47/91/357834791.db2.gz JQYSTAVRRQKALW-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H](C)c1ccnn1C ZINC000192245941 357834963 /nfs/dbraw/zinc/83/49/63/357834963.db2.gz JQYSTAVRRQKALW-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC(C)c1cccc(N[C@@H](C)c2ccnn2C)c1 ZINC000192246634 386749966 /nfs/dbraw/zinc/74/99/66/386749966.db2.gz HEZIKGVOPNGXKW-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1cccc(N[C@H](C)c2ccnn2C)c1 ZINC000192246639 386748508 /nfs/dbraw/zinc/74/85/08/386748508.db2.gz HEZIKGVOPNGXKW-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN CCCc1ccc(N[C@@H](C)c2ccnn2C)cc1 ZINC000192246645 644141405 /nfs/dbraw/zinc/14/14/05/644141405.db2.gz VFOXFTRBRBZJIC-LBPRGKRZSA-N 0 0 243.354 3.546 20 0 BHADRN CCCc1ccc(N[C@H](C)c2ccnn2C)cc1 ZINC000192246651 644141325 /nfs/dbraw/zinc/14/13/25/644141325.db2.gz VFOXFTRBRBZJIC-GFCCVEGCSA-N 0 0 243.354 3.546 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccnn2C)c(Cl)c1 ZINC000192247301 397893102 /nfs/dbraw/zinc/89/31/02/397893102.db2.gz KOTADLYLPKDBRS-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccnn2C)c(Cl)c1 ZINC000192247308 397892837 /nfs/dbraw/zinc/89/28/37/397892837.db2.gz KOTADLYLPKDBRS-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(CNc2ccc3scnc3c2)o1 ZINC000192256235 357826913 /nfs/dbraw/zinc/82/69/13/357826913.db2.gz VTDMPELAJPHINJ-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN c1cc(CNc2ccc3scnc3c2)cs1 ZINC000192257098 259391467 /nfs/dbraw/zinc/39/14/67/259391467.db2.gz JZAMBUMGYMLJCT-UHFFFAOYSA-N 0 0 246.360 3.970 20 0 BHADRN c1csc(CNc2ccc3scnc3c2)c1 ZINC000192257775 386749941 /nfs/dbraw/zinc/74/99/41/386749941.db2.gz ZBIVGFCRJDMWKK-UHFFFAOYSA-N 0 0 246.360 3.970 20 0 BHADRN CCCC1CCC(N(C)C(=O)C2CCC2)CC1 ZINC000192267430 398108272 /nfs/dbraw/zinc/10/82/72/398108272.db2.gz LXXVNNGXVUAEBL-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1CCC(N(C)C(=O)c2ccco2)CC1 ZINC000192269236 398107942 /nfs/dbraw/zinc/10/79/42/398107942.db2.gz SNHNGRMYTGRZKH-UHFFFAOYSA-N 0 0 249.354 3.711 20 0 BHADRN CCCC(=O)N(C)C1CCC(CCC)CC1 ZINC000192270270 398108193 /nfs/dbraw/zinc/10/81/93/398108193.db2.gz IMEZREAPFDXBRV-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC1CCC(N(C)C(=O)C2CC=CC2)CC1 ZINC000192271060 259585404 /nfs/dbraw/zinc/58/54/04/259585404.db2.gz RBGRSWXMPWETTN-UHFFFAOYSA-N 0 0 249.398 3.770 20 0 BHADRN CCCC1CCC(N(C)C(=O)c2ccoc2)CC1 ZINC000192271554 357826684 /nfs/dbraw/zinc/82/66/84/357826684.db2.gz JRAFYUPVHDPUIT-UHFFFAOYSA-N 0 0 249.354 3.711 20 0 BHADRN CC(C)(C)[C@H](NCc1cocn1)c1ccccc1 ZINC000192285094 386753321 /nfs/dbraw/zinc/75/33/21/386753321.db2.gz GDEXIVHSFJYJMB-CQSZACIVSA-N 0 0 244.338 3.552 20 0 BHADRN CC(C)(C)[C@@H](NCc1cocn1)c1ccccc1 ZINC000192285097 386752986 /nfs/dbraw/zinc/75/29/86/386752986.db2.gz GDEXIVHSFJYJMB-AWEZNQCLSA-N 0 0 244.338 3.552 20 0 BHADRN CC(C)(C)c1ccc(NCc2cocn2)cc1 ZINC000192290206 386756400 /nfs/dbraw/zinc/75/64/00/386756400.db2.gz CLCQRLQDDWINKY-UHFFFAOYSA-N 0 0 230.311 3.584 20 0 BHADRN CCCCc1ccc(NCc2cocn2)cc1 ZINC000192290234 169022234 /nfs/dbraw/zinc/02/22/34/169022234.db2.gz HTWZAQAIQDBIFQ-UHFFFAOYSA-N 0 0 230.311 3.629 20 0 BHADRN CC(C)=CCNc1cccc(NC(=O)C(C)C)c1 ZINC000192290936 385349422 /nfs/dbraw/zinc/34/94/22/385349422.db2.gz OJITVVQREVSJOH-UHFFFAOYSA-N 0 0 246.354 3.659 20 0 BHADRN CO[C@@H](C)c1cccc(NCC=C(C)C)c1 ZINC000192331285 386764146 /nfs/dbraw/zinc/76/41/46/386764146.db2.gz VLJFBHLKOAFEAU-LBPRGKRZSA-N 0 0 219.328 3.772 20 0 BHADRN CO[C@H](C)c1cccc(NCC=C(C)C)c1 ZINC000192331290 386765723 /nfs/dbraw/zinc/76/57/23/386765723.db2.gz VLJFBHLKOAFEAU-GFCCVEGCSA-N 0 0 219.328 3.772 20 0 BHADRN CC(C)Sc1ccccc1NCc1cocn1 ZINC000192333120 167338000 /nfs/dbraw/zinc/33/80/00/167338000.db2.gz TYUUULKDHLRGRM-UHFFFAOYSA-N 0 0 248.351 3.787 20 0 BHADRN Cc1ccc(NC(=O)c2ccoc2Cl)c(C)c1 ZINC000192392304 356185975 /nfs/dbraw/zinc/18/59/75/356185975.db2.gz CQESRGFCFRBFPD-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN CCN(C(=O)c1ccoc1Cl)c1ccccc1 ZINC000192392837 385354978 /nfs/dbraw/zinc/35/49/78/385354978.db2.gz IRMODBMBNNKMAJ-UHFFFAOYSA-N 0 0 249.697 3.600 20 0 BHADRN Cc1ccc(NC(=O)c2ccoc2Cl)cc1C ZINC000192392841 356188212 /nfs/dbraw/zinc/18/82/12/356188212.db2.gz VNHQWMNMFLMCAU-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN Cc1cc(C)cc(NC(=O)c2ccoc2Cl)c1 ZINC000192392910 353549294 /nfs/dbraw/zinc/54/92/94/353549294.db2.gz BCMIQMIDGGBTAF-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN CCc1ccc(NC(=O)c2ccoc2Cl)cc1 ZINC000192392933 133999081 /nfs/dbraw/zinc/99/90/81/133999081.db2.gz XEDBOEZMWPDHAT-UHFFFAOYSA-N 0 0 249.697 3.748 20 0 BHADRN CCc1ccccc1NC(=O)c1ccoc1Cl ZINC000192392939 133998937 /nfs/dbraw/zinc/99/89/37/133998937.db2.gz KSLWWBMIUBRGDR-UHFFFAOYSA-N 0 0 249.697 3.748 20 0 BHADRN Cc1cccc(C)c1NC(=O)c1ccoc1Cl ZINC000192392971 133998822 /nfs/dbraw/zinc/99/88/22/133998822.db2.gz ODSFAJIOLHFKST-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN CCc1cccc(NC(=O)c2ccoc2Cl)c1 ZINC000192392974 535901856 /nfs/dbraw/zinc/90/18/56/535901856.db2.gz ASMFRIWCIKBTFR-UHFFFAOYSA-N 0 0 249.697 3.748 20 0 BHADRN Cc1cccc(NC(=O)c2ccoc2Cl)c1C ZINC000192393005 133998982 /nfs/dbraw/zinc/99/89/82/133998982.db2.gz OJOCMMRQIMNJSA-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN Cc1ccc(C)c(NC(=O)c2ccoc2Cl)c1 ZINC000192393012 356188155 /nfs/dbraw/zinc/18/81/55/356188155.db2.gz NFRCTRTYIWQZDQ-UHFFFAOYSA-N 0 0 249.697 3.802 20 0 BHADRN CCCCC[C@@H](C)NC(=O)c1ccoc1Cl ZINC000192394673 386762121 /nfs/dbraw/zinc/76/21/21/386762121.db2.gz ZLQRMNCMAIKAMN-SECBINFHSA-N 0 0 243.734 3.632 20 0 BHADRN CCCCC[C@H](C)NC(=O)c1ccoc1Cl ZINC000192394676 168742508 /nfs/dbraw/zinc/74/25/08/168742508.db2.gz ZLQRMNCMAIKAMN-VIFPVBQESA-N 0 0 243.734 3.632 20 0 BHADRN Cc1cccc(N(C)C(=O)c2ccoc2Cl)c1 ZINC000192396885 353550276 /nfs/dbraw/zinc/55/02/76/353550276.db2.gz DXMNZDIIGSOXID-UHFFFAOYSA-N 0 0 249.697 3.518 20 0 BHADRN Cc1ccc(N(C)C(=O)c2ccoc2Cl)cc1 ZINC000192396889 644148693 /nfs/dbraw/zinc/14/86/93/644148693.db2.gz DLMJQDMLVJCTGX-UHFFFAOYSA-N 0 0 249.697 3.518 20 0 BHADRN CCC(CC)(CC)NC(=O)c1ccoc1Cl ZINC000192397426 168317452 /nfs/dbraw/zinc/31/74/52/168317452.db2.gz KISIHLMHLKPCPL-UHFFFAOYSA-N 0 0 243.734 3.632 20 0 BHADRN CCCC[C@@H](C)OC(=O)CC(C)(C)CC(C)=O ZINC000192434794 644152458 /nfs/dbraw/zinc/15/24/58/644152458.db2.gz DROMGWGYWPYCPN-GFCCVEGCSA-N 0 0 242.359 3.504 20 0 BHADRN CCCC[C@H](C)OC(=O)CC(C)(C)CC(C)=O ZINC000192434796 644153058 /nfs/dbraw/zinc/15/30/58/644153058.db2.gz DROMGWGYWPYCPN-LBPRGKRZSA-N 0 0 242.359 3.504 20 0 BHADRN CCC[C@@H](CC)OC(=O)CC(C)(C)CC(C)=O ZINC000192434877 644151752 /nfs/dbraw/zinc/15/17/52/644151752.db2.gz FCYHWNQNXBLPFA-GFCCVEGCSA-N 0 0 242.359 3.504 20 0 BHADRN CCC[C@H](CC)OC(=O)CC(C)(C)CC(C)=O ZINC000192434879 644152982 /nfs/dbraw/zinc/15/29/82/644152982.db2.gz FCYHWNQNXBLPFA-LBPRGKRZSA-N 0 0 242.359 3.504 20 0 BHADRN CC(C)c1ccc(SC[C@@H]2CCOC2)cc1 ZINC000192450955 387369756 /nfs/dbraw/zinc/36/97/56/387369756.db2.gz RANIEHHTFUDJEZ-GFCCVEGCSA-N 0 0 236.380 3.939 20 0 BHADRN CC(C)c1ccc(SC[C@H]2CCOC2)cc1 ZINC000192450958 387369540 /nfs/dbraw/zinc/36/95/40/387369540.db2.gz RANIEHHTFUDJEZ-LBPRGKRZSA-N 0 0 236.380 3.939 20 0 BHADRN Cc1ccc2nc(CSC3CCCC3)cn2c1 ZINC000192456430 398138153 /nfs/dbraw/zinc/13/81/53/398138153.db2.gz SHSRJPMEHYJPSE-UHFFFAOYSA-N 0 0 246.379 3.819 20 0 BHADRN CCc1nc(CSCC(C)C)cs1 ZINC000192457424 386769878 /nfs/dbraw/zinc/76/98/78/386769878.db2.gz SMBGAMWSYLJQKL-UHFFFAOYSA-N 0 0 215.387 3.595 20 0 BHADRN CC(C)(C)CC(=O)Nc1ccc2ncsc2c1 ZINC000192462719 259586394 /nfs/dbraw/zinc/58/63/94/259586394.db2.gz PMIZFMWAUXQBTC-UHFFFAOYSA-N 0 0 248.351 3.671 20 0 BHADRN CCCCCC(=O)Nc1ccc2ncsc2c1 ZINC000192462732 259586431 /nfs/dbraw/zinc/58/64/31/259586431.db2.gz 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OGKZEFOICXYQPQ-SNVBAGLBSA-N 0 0 227.760 3.600 20 0 BHADRN CN(C(=O)C[C@H]1C=CCC1)C1CCCCCC1 ZINC000193149017 488234233 /nfs/dbraw/zinc/23/42/33/488234233.db2.gz MLSAPXAHWUIQMB-ZDUSSCGKSA-N 0 0 235.371 3.524 20 0 BHADRN CN(C(=O)C[C@@H]1C=CCC1)C1CCCCCC1 ZINC000193149031 488234353 /nfs/dbraw/zinc/23/43/53/488234353.db2.gz MLSAPXAHWUIQMB-CYBMUJFWSA-N 0 0 235.371 3.524 20 0 BHADRN Fc1ccc(Cl)c(OCc2nccs2)c1 ZINC000193154969 180972985 /nfs/dbraw/zinc/97/29/85/180972985.db2.gz LAFIVRJFMWHZHN-UHFFFAOYSA-N 0 0 243.690 3.515 20 0 BHADRN CC(C)(C)OCCOc1cc(F)ccc1Cl ZINC000193155083 387733776 /nfs/dbraw/zinc/73/37/76/387733776.db2.gz CKGFBZVQJPMDCM-UHFFFAOYSA-N 0 0 246.709 3.673 20 0 BHADRN CSCCCOc1cc(F)ccc1Cl ZINC000193156020 386724506 /nfs/dbraw/zinc/72/45/06/386724506.db2.gz BVHYWPWVEDJPHO-UHFFFAOYSA-N 0 0 234.723 3.611 20 0 BHADRN CCSCCOc1cc(F)ccc1Cl ZINC000193156040 205979313 /nfs/dbraw/zinc/97/93/13/205979313.db2.gz QJMJHYZNNHVQFX-UHFFFAOYSA-N 0 0 234.723 3.611 20 0 BHADRN CCC(CC)NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000193162508 388694485 /nfs/dbraw/zinc/69/44/85/388694485.db2.gz YKFOKIGQSFWNKI-LBPRGKRZSA-N 0 0 248.370 3.578 20 0 BHADRN CCC(CC)NC(=O)N(C)[C@H](C)c1ccccc1 ZINC000193162521 385781576 /nfs/dbraw/zinc/78/15/76/385781576.db2.gz YKFOKIGQSFWNKI-GFCCVEGCSA-N 0 0 248.370 3.578 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C(CC)CC ZINC000193162651 388694213 /nfs/dbraw/zinc/69/42/13/388694213.db2.gz WVFBSIALFGIXTD-CYBMUJFWSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C(CC)CC ZINC000193162660 388694455 /nfs/dbraw/zinc/69/44/55/388694455.db2.gz WVFBSIALFGIXTD-ZDUSSCGKSA-N 0 0 225.376 3.604 20 0 BHADRN Fc1ccccc1CSC[C@@H]1CCCCO1 ZINC000193173450 357876883 /nfs/dbraw/zinc/87/68/83/357876883.db2.gz FBLGXROZFUGEAH-LBPRGKRZSA-N 0 0 240.343 3.628 20 0 BHADRN Fc1ccccc1CSC[C@H]1CCCCO1 ZINC000193173463 134595016 /nfs/dbraw/zinc/59/50/16/134595016.db2.gz FBLGXROZFUGEAH-GFCCVEGCSA-N 0 0 240.343 3.628 20 0 BHADRN CCCCCCC(=O)N(CC(C)C)C1CC1 ZINC000193193864 644221991 /nfs/dbraw/zinc/22/19/91/644221991.db2.gz GVTLDWKTMVYXBB-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CC[C@H](CSC)[NH2+]Cc1sccc1Cl ZINC000193203137 387178438 /nfs/dbraw/zinc/17/84/38/387178438.db2.gz KZJGEAFIAATJLF-MRVPVSSYSA-N 0 0 249.832 3.633 20 0 BHADRN Cc1cc(SC2CCCCC2)nc(C)n1 ZINC000193205959 388696616 /nfs/dbraw/zinc/69/66/16/388696616.db2.gz SIBOTBBXXLGNDR-UHFFFAOYSA-N 0 0 222.357 3.518 20 0 BHADRN Cc1ccccc1CSCc1ccncc1 ZINC000193211393 388806879 /nfs/dbraw/zinc/80/68/79/388806879.db2.gz FVYDBTJNSJLVHA-UHFFFAOYSA-N 0 0 229.348 3.823 20 0 BHADRN c1ccc2cc(SC[C@@H]3CCOC3)ccc2c1 ZINC000193211843 259393605 /nfs/dbraw/zinc/39/36/05/259393605.db2.gz VKAIZXLEMRSLNN-GFCCVEGCSA-N 0 0 244.359 3.968 20 0 BHADRN c1ccc2cc(SC[C@H]3CCOC3)ccc2c1 ZINC000193211856 388695883 /nfs/dbraw/zinc/69/58/83/388695883.db2.gz VKAIZXLEMRSLNN-LBPRGKRZSA-N 0 0 244.359 3.968 20 0 BHADRN CC(C)N(C(=O)C[C@@H](C)c1ccccc1)C1CC1 ZINC000193214613 323181880 /nfs/dbraw/zinc/18/18/80/323181880.db2.gz BIUUVXRYZYXYTM-CYBMUJFWSA-N 0 0 245.366 3.580 20 0 BHADRN CC(C)N(C(=O)C[C@H](C)c1ccccc1)C1CC1 ZINC000193214626 388695925 /nfs/dbraw/zinc/69/59/25/388695925.db2.gz BIUUVXRYZYXYTM-ZDUSSCGKSA-N 0 0 245.366 3.580 20 0 BHADRN c1cnc(S[C@H]2CCCc3ccccc32)nc1 ZINC000193215924 256683949 /nfs/dbraw/zinc/68/39/49/256683949.db2.gz BSSUDKNNAJAJTO-ZDUSSCGKSA-N 0 0 242.347 3.646 20 0 BHADRN c1cnc(S[C@@H]2CCCc3ccccc32)nc1 ZINC000193215934 387181828 /nfs/dbraw/zinc/18/18/28/387181828.db2.gz BSSUDKNNAJAJTO-CYBMUJFWSA-N 0 0 242.347 3.646 20 0 BHADRN Clc1ccc(CSC[C@@H]2CCOC2)cc1 ZINC000193216136 388807944 /nfs/dbraw/zinc/80/79/44/388807944.db2.gz JARCGBQOBQCIFV-LLVKDONJSA-N 0 0 242.771 3.610 20 0 BHADRN Clc1ccc(CSC[C@H]2CCOC2)cc1 ZINC000193216147 388808492 /nfs/dbraw/zinc/80/84/92/388808492.db2.gz JARCGBQOBQCIFV-NSHDSACASA-N 0 0 242.771 3.610 20 0 BHADRN CCCC[C@@H](CC)CSc1cccc[n+]1[O-] ZINC000193217138 644223500 /nfs/dbraw/zinc/22/35/00/644223500.db2.gz UIGNSFBBECTNIE-GFCCVEGCSA-N 0 0 239.384 3.629 20 0 BHADRN CCCC[C@H](CC)CSc1cccc[n+]1[O-] ZINC000193217154 644223125 /nfs/dbraw/zinc/22/31/25/644223125.db2.gz UIGNSFBBECTNIE-LBPRGKRZSA-N 0 0 239.384 3.629 20 0 BHADRN CCCCCN(C(=O)Cc1ccccc1)C(C)C ZINC000193223129 388812522 /nfs/dbraw/zinc/81/25/22/388812522.db2.gz AUCJLEPTASZZSA-UHFFFAOYSA-N 0 0 247.382 3.656 20 0 BHADRN CCCCCN(C(=O)c1ccc(C)o1)C(C)C ZINC000193223220 535015270 /nfs/dbraw/zinc/01/52/70/535015270.db2.gz PRCUPINYGZQVQL-UHFFFAOYSA-N 0 0 237.343 3.629 20 0 BHADRN c1cc(CSc2ccc3c(c2)CCC3)ccn1 ZINC000193229978 388696629 /nfs/dbraw/zinc/69/66/29/388696629.db2.gz GCRWQGIVNKFROI-UHFFFAOYSA-N 0 0 241.359 3.863 20 0 BHADRN Cc1ccc(C)c(NC(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000193238074 388697729 /nfs/dbraw/zinc/69/77/29/388697729.db2.gz ABOGWPRCGWUCIK-LBPRGKRZSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(C)c(NC(=O)N(C)[C@H](C)C2CC2)c1 ZINC000193238083 388697755 /nfs/dbraw/zinc/69/77/55/388697755.db2.gz ABOGWPRCGWUCIK-GFCCVEGCSA-N 0 0 246.354 3.566 20 0 BHADRN CCCCN(CC)C(=O)Nc1cc(C)ccc1C ZINC000193239565 388822311 /nfs/dbraw/zinc/82/23/11/388822311.db2.gz XUIRQGONLJJPTR-UHFFFAOYSA-N 0 0 248.370 3.957 20 0 BHADRN CC1CCC(N(C(=O)C2CCCC2)C2CC2)CC1 ZINC000193249391 134139567 /nfs/dbraw/zinc/13/95/67/134139567.db2.gz FAJASVVSIYVDOV-UHFFFAOYSA-N 0 0 249.398 3.746 20 0 BHADRN CC[C@@H](C)C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000193250246 385388509 /nfs/dbraw/zinc/38/85/09/385388509.db2.gz VBOXJFUGOBSXHS-OTTFEQOBSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@H](C)C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000193250260 388834754 /nfs/dbraw/zinc/83/47/54/388834754.db2.gz VBOXJFUGOBSXHS-CPCZMJQVSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)=CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000193250294 644224439 /nfs/dbraw/zinc/22/44/39/644224439.db2.gz FIHWGMUFTRJJFR-UHFFFAOYSA-N 0 0 235.371 3.522 20 0 BHADRN CCCCN(CC)C(=O)Nc1ccccc1C ZINC000193256449 388697490 /nfs/dbraw/zinc/69/74/90/388697490.db2.gz NWWXGCGIEUTEAY-UHFFFAOYSA-N 0 0 234.343 3.649 20 0 BHADRN Cc1cccc(NC(=O)N(C)[C@@H](C)C2CC2)c1C ZINC000193257006 259597624 /nfs/dbraw/zinc/59/76/24/259597624.db2.gz QQJXJBZEVLSUMP-LBPRGKRZSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1cccc(NC(=O)N(C)[C@H](C)C2CC2)c1C ZINC000193257019 259597542 /nfs/dbraw/zinc/59/75/42/259597542.db2.gz QQJXJBZEVLSUMP-GFCCVEGCSA-N 0 0 246.354 3.566 20 0 BHADRN CCCCN(CC)C(=O)Nc1cccc(C)c1C ZINC000193258208 259598077 /nfs/dbraw/zinc/59/80/77/259598077.db2.gz JDCRKWTZLLXCTN-UHFFFAOYSA-N 0 0 248.370 3.957 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@@H](C)C2CC2)c(C)c1 ZINC000193258669 388697819 /nfs/dbraw/zinc/69/78/19/388697819.db2.gz YDRFJCOTXKPUAU-LBPRGKRZSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@H](C)C2CC2)c(C)c1 ZINC000193258685 388697691 /nfs/dbraw/zinc/69/76/91/388697691.db2.gz YDRFJCOTXKPUAU-GFCCVEGCSA-N 0 0 246.354 3.566 20 0 BHADRN CCCCN(CC)C(=O)Nc1ccc(C)cc1C ZINC000193259873 388838141 /nfs/dbraw/zinc/83/81/41/388838141.db2.gz DWEZLQLQXIWFBR-UHFFFAOYSA-N 0 0 248.370 3.957 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@@H](C)C2CC2)cc1C ZINC000193260234 388697723 /nfs/dbraw/zinc/69/77/23/388697723.db2.gz VLWZVUIUJXYIGT-LBPRGKRZSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@H](C)C2CC2)cc1C ZINC000193260245 388697484 /nfs/dbraw/zinc/69/74/84/388697484.db2.gz VLWZVUIUJXYIGT-GFCCVEGCSA-N 0 0 246.354 3.566 20 0 BHADRN CCCCN(CC)C(=O)Nc1ccc(C)c(C)c1 ZINC000193261878 388837681 /nfs/dbraw/zinc/83/76/81/388837681.db2.gz JOFHTIKUAGSJBC-UHFFFAOYSA-N 0 0 248.370 3.957 20 0 BHADRN COc1c(C)ccc(NC(=O)CCC(C)C)c1C ZINC000193266260 388698789 /nfs/dbraw/zinc/69/87/89/388698789.db2.gz IMPGSKRPFYHICF-UHFFFAOYSA-N 0 0 249.354 3.687 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000193268542 259598163 /nfs/dbraw/zinc/59/81/63/259598163.db2.gz CTSBFGQCNIDTEA-LLVKDONJSA-N 0 0 249.354 3.687 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000193268556 388698384 /nfs/dbraw/zinc/69/83/84/388698384.db2.gz CTSBFGQCNIDTEA-NSHDSACASA-N 0 0 249.354 3.687 20 0 BHADRN CCCCCC(=O)Nc1ccc(C)c(OC)c1C ZINC000193269255 388839561 /nfs/dbraw/zinc/83/95/61/388839561.db2.gz BIQINZCKGFAKGW-UHFFFAOYSA-N 0 0 249.354 3.831 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)c2ccnn2C)c1 ZINC000193270438 178656610 /nfs/dbraw/zinc/65/66/10/178656610.db2.gz DGISIAHSQQHWFJ-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)c2ccnn2C)c1 ZINC000193270451 178656933 /nfs/dbraw/zinc/65/69/33/178656933.db2.gz DGISIAHSQQHWFJ-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccnn2C)c1Cl ZINC000193270689 179153990 /nfs/dbraw/zinc/15/39/90/179153990.db2.gz WXGRGMKXVXKFTL-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccnn2C)c1Cl ZINC000193270701 179156045 /nfs/dbraw/zinc/15/60/45/179156045.db2.gz WXGRGMKXVXKFTL-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC(C)c1ccc(SCc2cnn(C)c2)cc1 ZINC000193271607 367160247 /nfs/dbraw/zinc/16/02/47/367160247.db2.gz BMEGVCYVOBCZGP-UHFFFAOYSA-N 0 0 246.379 3.836 20 0 BHADRN C[C@@H]1CCC[C@H](N(C)C(=O)C2CCCCC2)C1 ZINC000193279974 388698670 /nfs/dbraw/zinc/69/86/70/388698670.db2.gz DJHLXMXLKBOYAD-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@H](N(C)C(=O)C2CCCCC2)C1 ZINC000193279984 388698708 /nfs/dbraw/zinc/69/87/08/388698708.db2.gz DJHLXMXLKBOYAD-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](N(C)C(=O)C2CCCCC2)C1 ZINC000193279994 259598621 /nfs/dbraw/zinc/59/86/21/259598621.db2.gz DJHLXMXLKBOYAD-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@@H](N(C)C(=O)C2CCCCC2)C1 ZINC000193280010 259598429 /nfs/dbraw/zinc/59/84/29/259598429.db2.gz DJHLXMXLKBOYAD-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](N(C)C(=O)CC2CCCC2)C1 ZINC000193280974 388698408 /nfs/dbraw/zinc/69/84/08/388698408.db2.gz YJXXDESJUCCIGR-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@H](N(C)C(=O)CC2CCCC2)C1 ZINC000193280983 259598717 /nfs/dbraw/zinc/59/87/17/259598717.db2.gz YJXXDESJUCCIGR-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](N(C)C(=O)CC2CCCC2)C1 ZINC000193280995 323084722 /nfs/dbraw/zinc/08/47/22/323084722.db2.gz YJXXDESJUCCIGR-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@@H](N(C)C(=O)CC2CCCC2)C1 ZINC000193281009 323084729 /nfs/dbraw/zinc/08/47/29/323084729.db2.gz YJXXDESJUCCIGR-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN COc1cc(NCC2CCC2)ccc1Cl ZINC000193313935 387346403 /nfs/dbraw/zinc/34/64/03/387346403.db2.gz KFZWVFJZMDPQGZ-UHFFFAOYSA-N 0 0 225.719 3.561 20 0 BHADRN C(CSC1CCCCC1)O[C@@H]1CCCCO1 ZINC000193327753 205981716 /nfs/dbraw/zinc/98/17/16/205981716.db2.gz TXBLMHJSXAPDPL-CYBMUJFWSA-N 0 0 244.400 3.596 20 0 BHADRN C(CSC1CCCCC1)O[C@H]1CCCCO1 ZINC000193327761 387199440 /nfs/dbraw/zinc/19/94/40/387199440.db2.gz TXBLMHJSXAPDPL-ZDUSSCGKSA-N 0 0 244.400 3.596 20 0 BHADRN CCN(CC(C)C)C(=O)c1ccc(Cl)s1 ZINC000193332929 388700433 /nfs/dbraw/zinc/70/04/33/388700433.db2.gz YBHVNVOGAZPUON-UHFFFAOYSA-N 0 0 245.775 3.520 20 0 BHADRN CSc1ccc(OC(=O)/C=C(\C)C2CC2)cc1 ZINC000193340094 712728397 /nfs/dbraw/zinc/72/83/97/712728397.db2.gz XPKZFNMIFDGOIU-MDZDMXLPSA-N 0 0 248.347 3.670 20 0 BHADRN Cc1ccc(CNc2ccc(Cl)nc2C)o1 ZINC000193345304 644236160 /nfs/dbraw/zinc/23/61/60/644236160.db2.gz CNAXXZXMEHFPAH-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN O=C(CCCC1CCCCC1)NCc1ccoc1 ZINC000193369234 388702890 /nfs/dbraw/zinc/70/28/90/388702890.db2.gz UOQXNFGSSDCIIK-UHFFFAOYSA-N 0 0 249.354 3.646 20 0 BHADRN C[C@H](O)CS[C@@H](C)c1ccc(Cl)cc1 ZINC000193379063 385394017 /nfs/dbraw/zinc/39/40/17/385394017.db2.gz WRRKFKGWIBLBKL-IUCAKERBSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](O)CS[C@@H](C)c1ccc(Cl)cc1 ZINC000193379076 177027192 /nfs/dbraw/zinc/02/71/92/177027192.db2.gz WRRKFKGWIBLBKL-BDAKNGLRSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](SC[C@H](C)O)c1ccc(Cl)cc1 ZINC000193379090 176994456 /nfs/dbraw/zinc/99/44/56/176994456.db2.gz WRRKFKGWIBLBKL-DTWKUNHWSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](O)CS[C@H](C)c1ccc(Cl)cc1 ZINC000193379101 385395070 /nfs/dbraw/zinc/39/50/70/385395070.db2.gz WRRKFKGWIBLBKL-RKDXNWHRSA-N 0 0 230.760 3.515 20 0 BHADRN Cc1c(N[C@@H](C)CC2CC2)cnn1C1CCCC1 ZINC000193381652 387107531 /nfs/dbraw/zinc/10/75/31/387107531.db2.gz QCFVIJANWFIFOX-NSHDSACASA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@H](C)CC2CC2)cnn1C1CCCC1 ZINC000193381672 387106878 /nfs/dbraw/zinc/10/68/78/387106878.db2.gz QCFVIJANWFIFOX-LLVKDONJSA-N 0 0 247.386 3.907 20 0 BHADRN CC[C@@H](C)Nc1cnn(C2CCCC2)c1C ZINC000193382283 387107774 /nfs/dbraw/zinc/10/77/74/387107774.db2.gz TVEWVRHPGNHXPQ-SNVBAGLBSA-N 0 0 221.348 3.517 20 0 BHADRN CC[C@H](C)Nc1cnn(C2CCCC2)c1C ZINC000193382297 205984216 /nfs/dbraw/zinc/98/42/16/205984216.db2.gz TVEWVRHPGNHXPQ-JTQLQIEISA-N 0 0 221.348 3.517 20 0 BHADRN Cc1c(N[C@@H](C)C(C)C)cnn1C1CCCC1 ZINC000193383278 387106692 /nfs/dbraw/zinc/10/66/92/387106692.db2.gz YPUUHPNTVQBYFF-NSHDSACASA-N 0 0 235.375 3.763 20 0 BHADRN Cc1c(N[C@H](C)C(C)C)cnn1C1CCCC1 ZINC000193383291 387107710 /nfs/dbraw/zinc/10/77/10/387107710.db2.gz YPUUHPNTVQBYFF-LLVKDONJSA-N 0 0 235.375 3.763 20 0 BHADRN Cc1c(N[C@@H]2CC[C@H](C)C2)cnn1C1CCCC1 ZINC000193384069 205983909 /nfs/dbraw/zinc/98/39/09/205983909.db2.gz RDXRVXYJULIKBW-WCQYABFASA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@H]2CC[C@H](C)C2)cnn1C1CCCC1 ZINC000193384084 387106994 /nfs/dbraw/zinc/10/69/94/387106994.db2.gz RDXRVXYJULIKBW-AAEUAGOBSA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@@H]2CC[C@@H](C)C2)cnn1C1CCCC1 ZINC000193384101 205983881 /nfs/dbraw/zinc/98/38/81/205983881.db2.gz RDXRVXYJULIKBW-DGCLKSJQSA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@H]2CC[C@@H](C)C2)cnn1C1CCCC1 ZINC000193384113 205983646 /nfs/dbraw/zinc/98/36/46/205983646.db2.gz RDXRVXYJULIKBW-YPMHNXCESA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@@H](C)C2(C)CC2)cnn1C1CCCC1 ZINC000193384777 387106454 /nfs/dbraw/zinc/10/64/54/387106454.db2.gz LMSPNIOBFIFSFE-LBPRGKRZSA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@H](C)C2(C)CC2)cnn1C1CCCC1 ZINC000193384788 387106144 /nfs/dbraw/zinc/10/61/44/387106144.db2.gz LMSPNIOBFIFSFE-GFCCVEGCSA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(NC2CC(C)C2)cnn1C1CCCC1 ZINC000193386095 387109373 /nfs/dbraw/zinc/10/93/73/387109373.db2.gz XKFIAAILVJJHKN-UHFFFAOYSA-N 0 0 233.359 3.517 20 0 BHADRN CCC(CC)Nc1cnn(C2CCCC2)c1C ZINC000193388390 387111816 /nfs/dbraw/zinc/11/18/16/387111816.db2.gz NWORIAUYPFMREE-UHFFFAOYSA-N 0 0 235.375 3.907 20 0 BHADRN CCC[C@@H](C)Nc1cnn(C2CCCC2)c1C ZINC000193388589 387111672 /nfs/dbraw/zinc/11/16/72/387111672.db2.gz METHCIRTAMSZAP-LLVKDONJSA-N 0 0 235.375 3.907 20 0 BHADRN CCC[C@H](C)Nc1cnn(C2CCCC2)c1C ZINC000193388602 387111593 /nfs/dbraw/zinc/11/15/93/387111593.db2.gz METHCIRTAMSZAP-NSHDSACASA-N 0 0 235.375 3.907 20 0 BHADRN Cc1c(N[C@@H](C)C2CCC2)cnn1C1CCCC1 ZINC000193388701 388703790 /nfs/dbraw/zinc/70/37/90/388703790.db2.gz NJFUZUAWJHVATM-NSHDSACASA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@H](C)C2CCC2)cnn1C1CCCC1 ZINC000193388714 388703820 /nfs/dbraw/zinc/70/38/20/388703820.db2.gz NJFUZUAWJHVATM-LLVKDONJSA-N 0 0 247.386 3.907 20 0 BHADRN COCc1ccc(N[C@@H](C)c2ccoc2)cc1 ZINC000193410354 644238562 /nfs/dbraw/zinc/23/85/62/644238562.db2.gz CSCAFXSJXXFDGW-NSHDSACASA-N 0 0 231.295 3.599 20 0 BHADRN COCc1ccc(N[C@H](C)c2ccoc2)cc1 ZINC000193410367 644239327 /nfs/dbraw/zinc/23/93/27/644239327.db2.gz CSCAFXSJXXFDGW-LLVKDONJSA-N 0 0 231.295 3.599 20 0 BHADRN COCc1ccc(N[C@@H](C)C2CCCC2)cc1 ZINC000193411307 644239588 /nfs/dbraw/zinc/23/95/88/644239588.db2.gz KWGVIKRACKVGKA-LBPRGKRZSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@H](C)C2CCCC2)cc1 ZINC000193411326 636868769 /nfs/dbraw/zinc/86/87/69/636868769.db2.gz KWGVIKRACKVGKA-GFCCVEGCSA-N 0 0 233.355 3.824 20 0 BHADRN CC(C)(C)c1nc(-c2ccccc2Cl)no1 ZINC000193411748 259602238 /nfs/dbraw/zinc/60/22/38/259602238.db2.gz QXSLUKMNERSGEC-UHFFFAOYSA-N 0 0 236.702 3.688 20 0 BHADRN CCCCc1nc(-c2ccccc2Cl)no1 ZINC000193411779 388703230 /nfs/dbraw/zinc/70/32/30/388703230.db2.gz ZKVCPHBJPZOPIF-UHFFFAOYSA-N 0 0 236.702 3.733 20 0 BHADRN CC(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000193411806 388703271 /nfs/dbraw/zinc/70/32/71/388703271.db2.gz HCGDKJIUNMQNPY-UHFFFAOYSA-N 0 0 236.702 3.589 20 0 BHADRN COCc1ccc(N[C@H]2CCC[C@@H](C)C2)cc1 ZINC000193412305 644238795 /nfs/dbraw/zinc/23/87/95/644238795.db2.gz GVCDCEYQSUAPCO-DOMZBBRYSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@H]2CCC[C@H](C)C2)cc1 ZINC000193412318 644239001 /nfs/dbraw/zinc/23/90/01/644239001.db2.gz GVCDCEYQSUAPCO-WFASDCNBSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000193412330 644238478 /nfs/dbraw/zinc/23/84/78/644238478.db2.gz GVCDCEYQSUAPCO-IUODEOHRSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@@H]2CCC[C@H](C)C2)cc1 ZINC000193412345 644239619 /nfs/dbraw/zinc/23/96/19/644239619.db2.gz GVCDCEYQSUAPCO-SWLSCSKDSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@H]2CCCC2(C)C)cc1 ZINC000193412461 644239295 /nfs/dbraw/zinc/23/92/95/644239295.db2.gz ZRGYOFDBHAYIAO-AWEZNQCLSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@@H]2CCCC2(C)C)cc1 ZINC000193412480 644239086 /nfs/dbraw/zinc/23/90/86/644239086.db2.gz ZRGYOFDBHAYIAO-CQSZACIVSA-N 0 0 233.355 3.824 20 0 BHADRN CC[C@H](Nc1ccc(COC)cc1)C(C)C ZINC000193413807 634279000 /nfs/dbraw/zinc/27/90/00/634279000.db2.gz WRKWVVLBPGYXAO-AWEZNQCLSA-N 0 0 221.344 3.680 20 0 BHADRN CC[C@@H](Nc1ccc(COC)cc1)C(C)C ZINC000193413826 644241064 /nfs/dbraw/zinc/24/10/64/644241064.db2.gz WRKWVVLBPGYXAO-CQSZACIVSA-N 0 0 221.344 3.680 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc(COC)cc1 ZINC000193414512 644240737 /nfs/dbraw/zinc/24/07/37/644240737.db2.gz QWPXRCIZERLHRH-VXGBXAGGSA-N 0 0 221.344 3.680 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc(COC)cc1 ZINC000193414532 644238686 /nfs/dbraw/zinc/23/86/86/644238686.db2.gz QWPXRCIZERLHRH-NWDGAFQWSA-N 0 0 221.344 3.680 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc(COC)cc1 ZINC000193414551 644240188 /nfs/dbraw/zinc/24/01/88/644240188.db2.gz QWPXRCIZERLHRH-NEPJUHHUSA-N 0 0 221.344 3.680 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc(COC)cc1 ZINC000193414561 644241082 /nfs/dbraw/zinc/24/10/82/644241082.db2.gz QWPXRCIZERLHRH-RYUDHWBXSA-N 0 0 221.344 3.680 20 0 BHADRN COCc1ccc(N[C@@H](C)CCC2CC2)cc1 ZINC000193415110 644240669 /nfs/dbraw/zinc/24/06/69/644240669.db2.gz DPNHKWLHEBVQOD-LBPRGKRZSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@H](C)CCC2CC2)cc1 ZINC000193415127 644240418 /nfs/dbraw/zinc/24/04/18/644240418.db2.gz DPNHKWLHEBVQOD-GFCCVEGCSA-N 0 0 233.355 3.824 20 0 BHADRN CCCC[C@@H](C)Nc1ccc(COC)cc1 ZINC000193417150 644240584 /nfs/dbraw/zinc/24/05/84/644240584.db2.gz OKLXMZPULCUQKQ-GFCCVEGCSA-N 0 0 221.344 3.824 20 0 BHADRN CCCC[C@H](C)Nc1ccc(COC)cc1 ZINC000193417166 644239966 /nfs/dbraw/zinc/23/99/66/644239966.db2.gz OKLXMZPULCUQKQ-LBPRGKRZSA-N 0 0 221.344 3.824 20 0 BHADRN COCc1ccc(N[C@H](C)CC(C)C)cc1 ZINC000193417222 644241177 /nfs/dbraw/zinc/24/11/77/644241177.db2.gz HLIDLUYOCLFEDE-GFCCVEGCSA-N 0 0 221.344 3.680 20 0 BHADRN COCc1ccc(N[C@@H](C)CC(C)C)cc1 ZINC000193417237 644240562 /nfs/dbraw/zinc/24/05/62/644240562.db2.gz HLIDLUYOCLFEDE-LBPRGKRZSA-N 0 0 221.344 3.680 20 0 BHADRN CCC[C@@H](CC)Nc1ccc(COC)cc1 ZINC000193417968 644238503 /nfs/dbraw/zinc/23/85/03/644238503.db2.gz JWORDQYOBBHPJG-CYBMUJFWSA-N 0 0 221.344 3.824 20 0 BHADRN CCC[C@H](CC)Nc1ccc(COC)cc1 ZINC000193417983 644240975 /nfs/dbraw/zinc/24/09/75/644240975.db2.gz JWORDQYOBBHPJG-ZDUSSCGKSA-N 0 0 221.344 3.824 20 0 BHADRN COCc1ccc(N[C@@H](C)C(C)(C)C)cc1 ZINC000193418694 644240987 /nfs/dbraw/zinc/24/09/87/644240987.db2.gz ASOGDRCNDXRUBD-NSHDSACASA-N 0 0 221.344 3.680 20 0 BHADRN COCc1ccc(N[C@H](C)C(C)(C)C)cc1 ZINC000193418702 644240292 /nfs/dbraw/zinc/24/02/92/644240292.db2.gz ASOGDRCNDXRUBD-LLVKDONJSA-N 0 0 221.344 3.680 20 0 BHADRN COCc1ccc(NC2CCCCC2)cc1 ZINC000193418867 636872044 /nfs/dbraw/zinc/87/20/44/636872044.db2.gz MVYOXXMFCBLKDM-UHFFFAOYSA-N 0 0 219.328 3.578 20 0 BHADRN COCc1ccc(N[C@H]2CCCC[C@H]2C)cc1 ZINC000193422628 644240679 /nfs/dbraw/zinc/24/06/79/644240679.db2.gz OFHLCVWLURZYHF-DOMZBBRYSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@H]2CCCC[C@@H]2C)cc1 ZINC000193422641 644240793 /nfs/dbraw/zinc/24/07/93/644240793.db2.gz OFHLCVWLURZYHF-WFASDCNBSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@@H]2CCCC[C@H]2C)cc1 ZINC000193422654 644240348 /nfs/dbraw/zinc/24/03/48/644240348.db2.gz OFHLCVWLURZYHF-IUODEOHRSA-N 0 0 233.355 3.824 20 0 BHADRN COCc1ccc(N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000193422671 644240494 /nfs/dbraw/zinc/24/04/94/644240494.db2.gz OFHLCVWLURZYHF-SWLSCSKDSA-N 0 0 233.355 3.824 20 0 BHADRN Cc1ccccc1[C@@H](C)N(C)Cc1cscn1 ZINC000193426220 367175697 /nfs/dbraw/zinc/17/56/97/367175697.db2.gz RETSMWATJRFEPJ-GFCCVEGCSA-N 0 0 246.379 3.645 20 0 BHADRN Cc1ccccc1[C@H](C)N(C)Cc1cscn1 ZINC000193426233 367175803 /nfs/dbraw/zinc/17/58/03/367175803.db2.gz RETSMWATJRFEPJ-LBPRGKRZSA-N 0 0 246.379 3.645 20 0 BHADRN CCCCCCC(=O)Nc1ccc(C)cc1OC ZINC000193428186 644240238 /nfs/dbraw/zinc/24/02/38/644240238.db2.gz WZNNJNIMDSCKOH-UHFFFAOYSA-N 0 0 249.354 3.913 20 0 BHADRN Cc1ccc(NC(=O)N(C)CCC(C)C)c(C)c1 ZINC000193437646 388351672 /nfs/dbraw/zinc/35/16/72/388351672.db2.gz URBKJQNULDXIOR-UHFFFAOYSA-N 0 0 248.370 3.813 20 0 BHADRN COc1cc(SC)ccc1NC1CCCC1 ZINC000193438184 398000874 /nfs/dbraw/zinc/00/08/74/398000874.db2.gz UCAYIPZFZZJQJL-UHFFFAOYSA-N 0 0 237.368 3.772 20 0 BHADRN Cc1ccc(N)cc1NC(=O)C[C@@H](C)CC(C)C ZINC000193446769 644242460 /nfs/dbraw/zinc/24/24/60/644242460.db2.gz HOAAIFIZGNWLOA-NSHDSACASA-N 0 0 248.370 3.588 20 0 BHADRN Cc1ccc(N)cc1NC(=O)C[C@H](C)CC(C)C ZINC000193446786 644242303 /nfs/dbraw/zinc/24/23/03/644242303.db2.gz HOAAIFIZGNWLOA-LLVKDONJSA-N 0 0 248.370 3.588 20 0 BHADRN Cc1ccc(N)cc1NC(=O)CCCC(C)(C)C ZINC000193447056 385397047 /nfs/dbraw/zinc/39/70/47/385397047.db2.gz UJKSJKQJIXDYSA-UHFFFAOYSA-N 0 0 248.370 3.732 20 0 BHADRN CC[C@@H](CC(=O)Nc1cc(N)ccc1C)C(C)C ZINC000193451804 170814662 /nfs/dbraw/zinc/81/46/62/170814662.db2.gz KWLFZGAJIKPYJN-LBPRGKRZSA-N 0 0 248.370 3.588 20 0 BHADRN CC[C@H](CC(=O)Nc1cc(N)ccc1C)C(C)C ZINC000193451819 385396799 /nfs/dbraw/zinc/39/67/99/385396799.db2.gz KWLFZGAJIKPYJN-GFCCVEGCSA-N 0 0 248.370 3.588 20 0 BHADRN Clc1cccc(N2CCC3(CCCC3)C2)n1 ZINC000193458642 636450991 /nfs/dbraw/zinc/45/09/91/636450991.db2.gz AAGGAEFJPGKHJZ-UHFFFAOYSA-N 0 0 236.746 3.506 20 0 BHADRN C[C@H](CC1CCCCC1)NC(=O)C=C1CCC1 ZINC000193465742 644245334 /nfs/dbraw/zinc/24/53/34/644245334.db2.gz XDOVSHGQOVWXIC-GFCCVEGCSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@H](CC1CCCCC1)NC(=O)C(C)(C)C ZINC000193466120 388705895 /nfs/dbraw/zinc/70/58/95/388705895.db2.gz OTBZPUNOEIPULV-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN Cc1occc1C(=O)N[C@H](C)CC1CCCCC1 ZINC000193466566 388705899 /nfs/dbraw/zinc/70/58/99/388705899.db2.gz JKOXDIXKNOAWPM-LLVKDONJSA-N 0 0 249.354 3.677 20 0 BHADRN Cc1ccoc1C(=O)N[C@H](C)CC1CCCCC1 ZINC000193469931 388706508 /nfs/dbraw/zinc/70/65/08/388706508.db2.gz WNLPODRNIPNQJY-GFCCVEGCSA-N 0 0 249.354 3.677 20 0 BHADRN CC[C@@H](C)C(=O)N[C@H](C)CC1CCCCC1 ZINC000193474854 388707014 /nfs/dbraw/zinc/70/70/14/388707014.db2.gz SOCAJYGBJNJJPH-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)C(=O)N[C@H](C)CC1CCCCC1 ZINC000193474867 388706631 /nfs/dbraw/zinc/70/66/31/388706631.db2.gz SOCAJYGBJNJJPH-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC(=O)N[C@H](C)CC1CCCCC1 ZINC000193477405 259603585 /nfs/dbraw/zinc/60/35/85/259603585.db2.gz ZRLLGLPRBAEQMT-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN C[C@H](CC1CCCCC1)NC(=O)[C@@H](C)C1CC1 ZINC000193478702 388706593 /nfs/dbraw/zinc/70/65/93/388706593.db2.gz FYMAQTSRHHMIFN-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC1CCCCC1)NC(=O)[C@H](C)C1CC1 ZINC000193478719 388706267 /nfs/dbraw/zinc/70/62/67/388706267.db2.gz FYMAQTSRHHMIFN-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC1CCCCC1)NC(=O)C1=CCCC1 ZINC000193479370 388706298 /nfs/dbraw/zinc/70/62/98/388706298.db2.gz FMKZTQYMTPWBRH-GFCCVEGCSA-N 0 0 235.371 3.572 20 0 BHADRN Cc1nc(Cl)ccc1N[C@@H](C)c1ccccn1 ZINC000193480752 644246395 /nfs/dbraw/zinc/24/63/95/644246395.db2.gz VCUZFCUFUBEDMK-VIFPVBQESA-N 0 0 247.729 3.612 20 0 BHADRN Cc1nc(Cl)ccc1N[C@H](C)c1ccccn1 ZINC000193480761 644246208 /nfs/dbraw/zinc/24/62/08/644246208.db2.gz VCUZFCUFUBEDMK-SECBINFHSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(C)c(OCc2cccnc2)c1C ZINC000193488281 387550219 /nfs/dbraw/zinc/55/02/19/387550219.db2.gz 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BHADRN CC(C)N(CC1CCC1)C(=O)Nc1ccccc1 ZINC000193808399 188352250 /nfs/dbraw/zinc/35/22/50/188352250.db2.gz VXECHJIPJDQWFK-UHFFFAOYSA-N 0 0 246.354 3.729 20 0 BHADRN CC(C)CSCc1nc2ccccc2o1 ZINC000193815382 388717483 /nfs/dbraw/zinc/71/74/83/388717483.db2.gz XHNPSKDTNFBOND-UHFFFAOYSA-N 0 0 221.325 3.717 20 0 BHADRN CSCCSc1ccc2ccccc2n1 ZINC000193823907 644281683 /nfs/dbraw/zinc/28/16/83/644281683.db2.gz WCQOIRHSLBVIDN-UHFFFAOYSA-N 0 0 235.377 3.690 20 0 BHADRN Cc1cccnc1NC(=O)[C@@H]1CCCCC1(C)C ZINC000193829161 179392169 /nfs/dbraw/zinc/39/21/69/179392169.db2.gz PUAYYQZVCFJIEC-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1cccnc1NC(=O)[C@H]1CCCCC1(C)C ZINC000193829175 179391974 /nfs/dbraw/zinc/39/19/74/179391974.db2.gz PUAYYQZVCFJIEC-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN CCS[C@@H](C)c1ccc(F)c(F)c1 ZINC000193832127 387806460 /nfs/dbraw/zinc/80/64/60/387806460.db2.gz YCRAVTSEXGEKCM-ZETCQYMHSA-N 0 0 202.269 3.779 20 0 BHADRN CCS[C@H](C)c1ccc(F)c(F)c1 ZINC000193832141 385415528 /nfs/dbraw/zinc/41/55/28/385415528.db2.gz YCRAVTSEXGEKCM-SSDOTTSWSA-N 0 0 202.269 3.779 20 0 BHADRN CCCCc1nc(CSCC)cs1 ZINC000193832161 205700932 /nfs/dbraw/zinc/70/09/32/205700932.db2.gz DHXSUHQLSHDURT-UHFFFAOYSA-N 0 0 215.387 3.739 20 0 BHADRN CCOCCS[C@@H](C)c1ccc(F)c(F)c1 ZINC000193836124 259611312 /nfs/dbraw/zinc/61/13/12/259611312.db2.gz UFYQRKSZJJVEMX-VIFPVBQESA-N 0 0 246.322 3.796 20 0 BHADRN CCOCCS[C@H](C)c1ccc(F)c(F)c1 ZINC000193836138 388717586 /nfs/dbraw/zinc/71/75/86/388717586.db2.gz UFYQRKSZJJVEMX-SECBINFHSA-N 0 0 246.322 3.796 20 0 BHADRN CCOCCS[C@@H](C)c1ccc(F)cc1F ZINC000193837848 388717084 /nfs/dbraw/zinc/71/70/84/388717084.db2.gz XPPAMJGYUQJRPI-VIFPVBQESA-N 0 0 246.322 3.796 20 0 BHADRN CCOCCS[C@H](C)c1ccc(F)cc1F ZINC000193837864 388717448 /nfs/dbraw/zinc/71/74/48/388717448.db2.gz XPPAMJGYUQJRPI-SECBINFHSA-N 0 0 246.322 3.796 20 0 BHADRN COc1cc(NC2CC(C)C2)ccc1Cl ZINC000193846802 387806895 /nfs/dbraw/zinc/80/68/95/387806895.db2.gz YHWQOMZGRPFFMU-UHFFFAOYSA-N 0 0 225.719 3.559 20 0 BHADRN Cc1cnc(SC/C=C/c2ccccc2)nc1 ZINC000193851326 388467319 /nfs/dbraw/zinc/46/73/19/388467319.db2.gz CCWITQHHEPPXLT-VMPITWQZSA-N 0 0 242.347 3.591 20 0 BHADRN CSCCSc1nc2ccccc2s1 ZINC000193851415 644283187 /nfs/dbraw/zinc/28/31/87/644283187.db2.gz YKAOLPVZZGLRRS-UHFFFAOYSA-N 0 0 241.406 3.751 20 0 BHADRN Cc1cnc(S[C@@H](C)c2ccccc2)nc1 ZINC000193852759 388467076 /nfs/dbraw/zinc/46/70/76/388467076.db2.gz QTMJLCLCIBSOGB-NSHDSACASA-N 0 0 230.336 3.638 20 0 BHADRN Cc1cnc(S[C@H](C)c2ccccc2)nc1 ZINC000193852771 385510602 /nfs/dbraw/zinc/51/06/02/385510602.db2.gz QTMJLCLCIBSOGB-LLVKDONJSA-N 0 0 230.336 3.638 20 0 BHADRN CSCCCCCNc1cccc(Cl)n1 ZINC000193854591 644283585 /nfs/dbraw/zinc/28/35/85/644283585.db2.gz MLILETJFHLYUDT-UHFFFAOYSA-N 0 0 244.791 3.680 20 0 BHADRN Cc1ncc(CSc2ccc(F)cc2)s1 ZINC000193858831 259611352 /nfs/dbraw/zinc/61/13/52/259611352.db2.gz BYRZKZIIRPBAJK-UHFFFAOYSA-N 0 0 239.340 3.883 20 0 BHADRN Cc1ncc(CSc2ccccc2F)s1 ZINC000193859076 388718388 /nfs/dbraw/zinc/71/83/88/388718388.db2.gz ALBUIRNSIUZWBB-UHFFFAOYSA-N 0 0 239.340 3.883 20 0 BHADRN CCCCCC(=O)N(C)c1c(F)cccc1F ZINC000193876430 388718330 /nfs/dbraw/zinc/71/83/30/388718330.db2.gz OXLZWBOLSAIPBZ-UHFFFAOYSA-N 0 0 241.281 3.508 20 0 BHADRN CC1(C)CCCC[C@@H]1C(=O)Nc1ccccc1O ZINC000193883703 387806406 /nfs/dbraw/zinc/80/64/06/387806406.db2.gz XOYLAYUJTNZZJO-LLVKDONJSA-N 0 0 247.338 3.547 20 0 BHADRN CC1(C)CCCC[C@H]1C(=O)Nc1ccccc1O ZINC000193883715 387807508 /nfs/dbraw/zinc/80/75/08/387807508.db2.gz XOYLAYUJTNZZJO-NSHDSACASA-N 0 0 247.338 3.547 20 0 BHADRN CC(C)(C)SCc1nc(-c2ccccc2)no1 ZINC000193891141 644287230 /nfs/dbraw/zinc/28/72/30/644287230.db2.gz OGNIEGLJAQAPIR-UHFFFAOYSA-N 0 0 248.351 3.768 20 0 BHADRN CCCc1ccc(C(=O)N(C(C)C)C2CC2)cc1 ZINC000193902260 259612553 /nfs/dbraw/zinc/61/25/53/259612553.db2.gz AQUYWWDMWOHMLL-UHFFFAOYSA-N 0 0 245.366 3.652 20 0 BHADRN Cn1c2ccccc2nc1-c1cc(F)cc(F)c1 ZINC000193902399 367225273 /nfs/dbraw/zinc/22/52/73/367225273.db2.gz JDJSODQXIXVNCX-UHFFFAOYSA-N 0 0 244.244 3.519 20 0 BHADRN CCCc1ccc(C(=O)N(C)[C@@H](C)CC)cc1 ZINC000193904174 388469522 /nfs/dbraw/zinc/46/95/22/388469522.db2.gz ZBUAVYXGARHRSN-LBPRGKRZSA-N 0 0 233.355 3.510 20 0 BHADRN CCCc1ccc(C(=O)N(C)[C@H](C)CC)cc1 ZINC000193904189 388469430 /nfs/dbraw/zinc/46/94/30/388469430.db2.gz ZBUAVYXGARHRSN-GFCCVEGCSA-N 0 0 233.355 3.510 20 0 BHADRN CN(CCCCc1ccccc1)CC(F)(F)F ZINC000193909232 388471010 /nfs/dbraw/zinc/47/10/10/388471010.db2.gz FBJMLASAOOBQDJ-UHFFFAOYSA-N 0 0 245.288 3.503 20 0 BHADRN CCCc1ccc(C(=O)N(CC)C(C)C)cc1 ZINC000193913997 388719911 /nfs/dbraw/zinc/71/99/11/388719911.db2.gz QNWLWKKBEXSTPY-UHFFFAOYSA-N 0 0 233.355 3.510 20 0 BHADRN CC(C)(C)OC(=O)Oc1cc(F)ccc1Cl ZINC000193932402 385417237 /nfs/dbraw/zinc/41/72/37/385417237.db2.gz LHTNQCUIODVVSF-UHFFFAOYSA-N 0 0 246.665 3.793 20 0 BHADRN CCCCC(=O)Oc1ccc(Cl)cc1F ZINC000193950747 644290362 /nfs/dbraw/zinc/29/03/62/644290362.db2.gz LVKCGWPXCAZVEK-UHFFFAOYSA-N 0 0 230.666 3.575 20 0 BHADRN O=C(Oc1ccc(Cl)cc1F)C1CCCC1 ZINC000193951057 643083298 /nfs/dbraw/zinc/08/32/98/643083298.db2.gz ALQGYMOYKHWPHN-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN CCCCC(=O)Nc1ccc(COC(C)C)cc1 ZINC000193953880 388719322 /nfs/dbraw/zinc/71/93/22/388719322.db2.gz XRAVPBKQBDDQDE-UHFFFAOYSA-N 0 0 249.354 3.740 20 0 BHADRN CC(C)OCc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000193954030 388719288 /nfs/dbraw/zinc/71/92/88/388719288.db2.gz SKFBAVUGYMZXRM-UHFFFAOYSA-N 0 0 249.354 3.596 20 0 BHADRN CC(C)CC(=O)Nc1ccc(COC(C)C)cc1 ZINC000193954389 388718987 /nfs/dbraw/zinc/71/89/87/388718987.db2.gz HQSJVJYTWBMACC-UHFFFAOYSA-N 0 0 249.354 3.596 20 0 BHADRN CC(C)=CC(=O)Nc1ccc(COC(C)C)cc1 ZINC000193955322 644290770 /nfs/dbraw/zinc/29/07/70/644290770.db2.gz WIDCTVSCQPCFBD-UHFFFAOYSA-N 0 0 247.338 3.516 20 0 BHADRN CCC(=O)Nc1ccccc1Nc1ccccc1 ZINC000193961131 487779301 /nfs/dbraw/zinc/77/93/01/487779301.db2.gz XFLLOGJLYBGTLI-UHFFFAOYSA-N 0 0 240.306 3.779 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(COC(C)C)cc1 ZINC000193963907 388720823 /nfs/dbraw/zinc/72/08/23/388720823.db2.gz XLSNJUMQYLJHAY-GFCCVEGCSA-N 0 0 249.354 3.596 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(COC(C)C)cc1 ZINC000193963918 388720574 /nfs/dbraw/zinc/72/05/74/388720574.db2.gz XLSNJUMQYLJHAY-LBPRGKRZSA-N 0 0 249.354 3.596 20 0 BHADRN CO[C@H]1CCCc2c(C)c3ccccc3nc21 ZINC000193969932 388472886 /nfs/dbraw/zinc/47/28/86/388472886.db2.gz DLKAYRHIGRKWFX-AWEZNQCLSA-N 0 0 227.307 3.567 20 0 BHADRN CO[C@@H]1CCCc2c(C)c3ccccc3nc21 ZINC000193969948 388472805 /nfs/dbraw/zinc/47/28/05/388472805.db2.gz DLKAYRHIGRKWFX-CQSZACIVSA-N 0 0 227.307 3.567 20 0 BHADRN C[C@@H](OC(=O)C1CCCC1)c1ccccc1F ZINC000193995149 644292996 /nfs/dbraw/zinc/29/29/96/644292996.db2.gz KUBNPKCQFOQOBB-SNVBAGLBSA-N 0 0 236.286 3.620 20 0 BHADRN CCCCC(=O)O[C@@H](C)c1ccccc1F ZINC000193995533 644292763 /nfs/dbraw/zinc/29/27/63/644292763.db2.gz OTFNPLAAYMWJJL-JTQLQIEISA-N 0 0 224.275 3.620 20 0 BHADRN CCCCC(=O)O[C@H](C)c1ccccc1F ZINC000193995545 644293116 /nfs/dbraw/zinc/29/31/16/644293116.db2.gz OTFNPLAAYMWJJL-SNVBAGLBSA-N 0 0 224.275 3.620 20 0 BHADRN C[C@H](OC(=O)[C@H]1CC=CCC1)c1ccccc1F ZINC000194005386 644295555 /nfs/dbraw/zinc/29/55/55/644295555.db2.gz HAZUPQVQVMMVAL-RYUDHWBXSA-N 0 0 248.297 3.786 20 0 BHADRN C[C@H](OC(=O)[C@@H]1CC=CCC1)c1ccccc1F ZINC000194005403 644294842 /nfs/dbraw/zinc/29/48/42/644294842.db2.gz HAZUPQVQVMMVAL-NWDGAFQWSA-N 0 0 248.297 3.786 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CC=CCC1)c1ccccc1F ZINC000194005420 644294612 /nfs/dbraw/zinc/29/46/12/644294612.db2.gz HAZUPQVQVMMVAL-VXGBXAGGSA-N 0 0 248.297 3.786 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CCCCC1(C)C)C1CC1 ZINC000194024428 259396355 /nfs/dbraw/zinc/39/63/55/259396355.db2.gz WOBLYDBEZNKCKJ-ZDUSSCGKSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)[C@H]1CCCCC1(C)C)C1CC1 ZINC000194024441 259396328 /nfs/dbraw/zinc/39/63/28/259396328.db2.gz WOBLYDBEZNKCKJ-CYBMUJFWSA-N 0 0 237.387 3.602 20 0 BHADRN CC1(C)CCCN1C(=O)[C@H]1CCCCC1(C)C ZINC000194025578 259613706 /nfs/dbraw/zinc/61/37/06/259613706.db2.gz VJZAVSXHKRQLQH-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CC1(C)CCCN1C(=O)[C@@H]1CCCCC1(C)C ZINC000194025590 388722194 /nfs/dbraw/zinc/72/21/94/388722194.db2.gz VJZAVSXHKRQLQH-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCSc1nnc(SCCC(C)C)s1 ZINC000194027596 259396197 /nfs/dbraw/zinc/39/61/97/259396197.db2.gz HLSCNXYRLCRSAJ-UHFFFAOYSA-N 0 0 248.442 3.788 20 0 BHADRN CCCN(C(=O)[C@@H]1CCCCC1(C)C)C1CC1 ZINC000194036355 388721976 /nfs/dbraw/zinc/72/19/76/388721976.db2.gz NJLYJNINXFDBDI-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CCCN(C(=O)[C@H]1CCCCC1(C)C)C1CC1 ZINC000194036367 259613985 /nfs/dbraw/zinc/61/39/85/259613985.db2.gz NJLYJNINXFDBDI-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](NC(=O)NC(C)(C)C)c1ccccc1 ZINC000194037556 259614037 /nfs/dbraw/zinc/61/40/37/259614037.db2.gz JXNVFCYWOOOQOU-ZDUSSCGKSA-N 0 0 248.370 3.626 20 0 BHADRN CCC[C@@H](NC(=O)NC(C)(C)C)c1ccccc1 ZINC000194037571 388721435 /nfs/dbraw/zinc/72/14/35/388721435.db2.gz JXNVFCYWOOOQOU-CYBMUJFWSA-N 0 0 248.370 3.626 20 0 BHADRN COc1cc(CNc2ccc(F)cc2)ccc1C ZINC000194089631 206003341 /nfs/dbraw/zinc/00/33/41/206003341.db2.gz LEFCPBNXGDCTFV-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1cc(CNc2cccc(F)c2)ccc1C ZINC000194089676 206003532 /nfs/dbraw/zinc/00/35/32/206003532.db2.gz IOWNKXBIJOWJTC-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN CCCSCc1nc2ccccc2nc1C ZINC000194092652 388723117 /nfs/dbraw/zinc/72/31/17/388723117.db2.gz BHPVODQBHPGWCW-UHFFFAOYSA-N 0 0 232.352 3.581 20 0 BHADRN CCC(CC)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000194102916 388723011 /nfs/dbraw/zinc/72/30/11/388723011.db2.gz DVIXIBLRGBZRII-LBPRGKRZSA-N 0 0 233.355 3.642 20 0 BHADRN CCC(CC)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000194102932 388723197 /nfs/dbraw/zinc/72/31/97/388723197.db2.gz DVIXIBLRGBZRII-GFCCVEGCSA-N 0 0 233.355 3.642 20 0 BHADRN CCCSCc1nc2ccccc2s1 ZINC000194107009 259615347 /nfs/dbraw/zinc/61/53/47/259615347.db2.gz NTVBTZUNMVDGSP-UHFFFAOYSA-N 0 0 223.366 3.940 20 0 BHADRN CC(C)Sc1cccc2cccnc21 ZINC000194107101 206003126 /nfs/dbraw/zinc/00/31/26/206003126.db2.gz KFRJAKJLMRCIGE-UHFFFAOYSA-N 0 0 203.310 3.735 20 0 BHADRN CCCSc1cccc2cccnc21 ZINC000194107124 206003160 /nfs/dbraw/zinc/00/31/60/206003160.db2.gz LQXRQHSJLKIOJG-UHFFFAOYSA-N 0 0 203.310 3.737 20 0 BHADRN CC(C)(C)OCCSc1ccc(F)cc1 ZINC000194107781 388724286 /nfs/dbraw/zinc/72/42/86/388724286.db2.gz IGWASBDUKRBKEP-UHFFFAOYSA-N 0 0 228.332 3.733 20 0 BHADRN CC(C)(C)OCCSc1ccccc1F ZINC000194107858 259615377 /nfs/dbraw/zinc/61/53/77/259615377.db2.gz NOMKNFXZFGFJEV-UHFFFAOYSA-N 0 0 228.332 3.733 20 0 BHADRN CC(C)(C)OCCSCc1ccccc1 ZINC000194108126 259615354 /nfs/dbraw/zinc/61/53/54/259615354.db2.gz HOKHFAVUTUTACG-UHFFFAOYSA-N 0 0 224.369 3.735 20 0 BHADRN CC(C)OCCSc1cccc2cccnc21 ZINC000194108540 388478600 /nfs/dbraw/zinc/47/86/00/388478600.db2.gz VMROSDQEFXBMHC-UHFFFAOYSA-N 0 0 247.363 3.752 20 0 BHADRN COc1ccc(SCCOC(C)(C)C)cc1 ZINC000194108588 259614948 /nfs/dbraw/zinc/61/49/48/259614948.db2.gz YTOSQILAAWNQHI-UHFFFAOYSA-N 0 0 240.368 3.602 20 0 BHADRN CC(C)(C)OCCSc1ccc(F)c(F)c1 ZINC000194108720 388724192 /nfs/dbraw/zinc/72/41/92/388724192.db2.gz YFPUNYPEYLJSSL-UHFFFAOYSA-N 0 0 246.322 3.872 20 0 BHADRN COc1cccc(SCCOC(C)(C)C)c1 ZINC000194109066 397897858 /nfs/dbraw/zinc/89/78/58/397897858.db2.gz QFDVCGMPNDVHBY-UHFFFAOYSA-N 0 0 240.368 3.602 20 0 BHADRN COc1cc(CNc2ccccc2F)ccc1C ZINC000194111919 206002319 /nfs/dbraw/zinc/00/23/19/206002319.db2.gz KNQPFJYFZRQLAT-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN C[C@H](SC[C@@H]1CCCO1)c1ccccc1F ZINC000194112941 177027478 /nfs/dbraw/zinc/02/74/78/177027478.db2.gz ATSNUDWSLFFZNX-QWRGUYRKSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@@H](SC[C@@H]1CCCO1)c1ccccc1F ZINC000194112958 176008076 /nfs/dbraw/zinc/00/80/76/176008076.db2.gz ATSNUDWSLFFZNX-MNOVXSKESA-N 0 0 240.343 3.799 20 0 BHADRN C[C@H](SC[C@H]1CCCO1)c1ccccc1F ZINC000194112975 177027973 /nfs/dbraw/zinc/02/79/73/177027973.db2.gz ATSNUDWSLFFZNX-WDEREUQCSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@@H](SC[C@H]1CCCO1)c1ccccc1F ZINC000194112989 176009194 /nfs/dbraw/zinc/00/91/94/176009194.db2.gz ATSNUDWSLFFZNX-GHMZBOCLSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@H](SC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000194113129 367248862 /nfs/dbraw/zinc/24/88/62/367248862.db2.gz WGAPBTIHNYOPLS-GWCFXTLKSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@@H](SC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000194113150 367248060 /nfs/dbraw/zinc/24/80/60/367248060.db2.gz WGAPBTIHNYOPLS-MFKMUULPSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@H](SC[C@H]1CCCO1)c1cccc(F)c1 ZINC000194113164 206002439 /nfs/dbraw/zinc/00/24/39/206002439.db2.gz WGAPBTIHNYOPLS-GXFFZTMASA-N 0 0 240.343 3.799 20 0 BHADRN C[C@@H](SC[C@H]1CCCO1)c1cccc(F)c1 ZINC000194113180 206003242 /nfs/dbraw/zinc/00/32/42/206003242.db2.gz WGAPBTIHNYOPLS-ZWNOBZJWSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@H](SC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000194115448 177027465 /nfs/dbraw/zinc/02/74/65/177027465.db2.gz KVRUJUWKVRTKAX-GWCFXTLKSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@@H](SC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000194115458 176008217 /nfs/dbraw/zinc/00/82/17/176008217.db2.gz KVRUJUWKVRTKAX-MFKMUULPSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@H](SC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000194115471 177027389 /nfs/dbraw/zinc/02/73/89/177027389.db2.gz KVRUJUWKVRTKAX-GXFFZTMASA-N 0 0 240.343 3.799 20 0 BHADRN C[C@@H](SC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000194115488 176008692 /nfs/dbraw/zinc/00/86/92/176008692.db2.gz KVRUJUWKVRTKAX-ZWNOBZJWSA-N 0 0 240.343 3.799 20 0 BHADRN Fc1cc(Cl)cc(NC[C@@H]2CCC=CO2)c1 ZINC000194123984 711709282 /nfs/dbraw/zinc/70/92/82/711709282.db2.gz LAOXPPMQVBWDRN-LBPRGKRZSA-N 0 0 241.693 3.584 20 0 BHADRN Fc1cc(Cl)cc(NC[C@H]2CCC=CO2)c1 ZINC000194124000 711709470 /nfs/dbraw/zinc/70/94/70/711709470.db2.gz LAOXPPMQVBWDRN-GFCCVEGCSA-N 0 0 241.693 3.584 20 0 BHADRN CCSCc1cc(-c2ccc(C)cc2)no1 ZINC000194125673 388724376 /nfs/dbraw/zinc/72/43/76/388724376.db2.gz YJZYGRZNPXIURX-UHFFFAOYSA-N 0 0 233.336 3.903 20 0 BHADRN CCCSCc1cc(-c2ccco2)on1 ZINC000194130033 388724651 /nfs/dbraw/zinc/72/46/51/388724651.db2.gz NEZWYPQRBOBBGT-UHFFFAOYSA-N 0 0 223.297 3.578 20 0 BHADRN FC(F)c1cccc(NC[C@@H]2CCC=CO2)c1 ZINC000194147545 387816953 /nfs/dbraw/zinc/81/69/53/387816953.db2.gz OZJZXAGBXCPDSQ-LBPRGKRZSA-N 0 0 239.265 3.729 20 0 BHADRN FC(F)c1cccc(NC[C@H]2CCC=CO2)c1 ZINC000194147558 387816338 /nfs/dbraw/zinc/81/63/38/387816338.db2.gz OZJZXAGBXCPDSQ-GFCCVEGCSA-N 0 0 239.265 3.729 20 0 BHADRN C=Cn1cc(CNc2cccc(C(F)F)c2)cn1 ZINC000194147597 206002663 /nfs/dbraw/zinc/00/26/63/206002663.db2.gz GMWUGVURDDQNNR-UHFFFAOYSA-N 0 0 249.264 3.533 20 0 BHADRN CSCc1ccc(NC[C@@H]2CCC=CO2)cc1 ZINC000194148222 385424395 /nfs/dbraw/zinc/42/43/95/385424395.db2.gz DELSEXXYRRFCGX-AWEZNQCLSA-N 0 0 249.379 3.654 20 0 BHADRN CSCc1ccc(NC[C@H]2CCC=CO2)cc1 ZINC000194148235 175531605 /nfs/dbraw/zinc/53/16/05/175531605.db2.gz DELSEXXYRRFCGX-CQSZACIVSA-N 0 0 249.379 3.654 20 0 BHADRN Cc1nc(COc2c(C)ccc(C)c2C)oc1C ZINC000194150600 367258695 /nfs/dbraw/zinc/25/86/95/367258695.db2.gz OOWZJFTZORJFMC-UHFFFAOYSA-N 0 0 245.322 3.796 20 0 BHADRN CCC(CC)NC(=O)[C@@H]1CCCCC1(C)C ZINC000194150804 388724148 /nfs/dbraw/zinc/72/41/48/388724148.db2.gz XQARLKWLIUAINJ-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(CC)NC(=O)[C@H]1CCCCC1(C)C ZINC000194150822 388723883 /nfs/dbraw/zinc/72/38/83/388723883.db2.gz XQARLKWLIUAINJ-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCSCc1nc(C(C)(C)C)no1 ZINC000194151659 388479484 /nfs/dbraw/zinc/47/94/84/388479484.db2.gz CUYLAYBRSFDYRP-UHFFFAOYSA-N 0 0 242.388 3.646 20 0 BHADRN C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCC1(C)C ZINC000194152955 388725155 /nfs/dbraw/zinc/72/51/55/388725155.db2.gz SLJOJNJRHCQTKQ-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCCN1C(=O)[C@@H]1CCCCC1(C)C ZINC000194152970 388724982 /nfs/dbraw/zinc/72/49/82/388724982.db2.gz SLJOJNJRHCQTKQ-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCCN1C(=O)[C@H]1CCCCC1(C)C ZINC000194152983 259615801 /nfs/dbraw/zinc/61/58/01/259615801.db2.gz SLJOJNJRHCQTKQ-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCCN1C(=O)[C@H]1CCCCC1(C)C ZINC000194153001 388724986 /nfs/dbraw/zinc/72/49/86/388724986.db2.gz SLJOJNJRHCQTKQ-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCSc1cccc(NC[C@@H]2CCC=CO2)c1 ZINC000194154619 644301966 /nfs/dbraw/zinc/30/19/66/644301966.db2.gz WOHPNVDWDGSUSR-ZDUSSCGKSA-N 0 0 249.379 3.903 20 0 BHADRN CCSc1cccc(NC[C@H]2CCC=CO2)c1 ZINC000194154634 644302936 /nfs/dbraw/zinc/30/29/36/644302936.db2.gz WOHPNVDWDGSUSR-CYBMUJFWSA-N 0 0 249.379 3.903 20 0 BHADRN CC[C@@H](C)N(C)C(=O)N[C@@H](C)CCCC(C)C ZINC000194156623 388725690 /nfs/dbraw/zinc/72/56/90/388725690.db2.gz YYENWJLCTAWDET-QWHCGFSZSA-N 0 0 242.407 3.641 20 0 BHADRN CC[C@H](C)N(C)C(=O)N[C@@H](C)CCCC(C)C ZINC000194156638 388725320 /nfs/dbraw/zinc/72/53/20/388725320.db2.gz YYENWJLCTAWDET-STQMWFEESA-N 0 0 242.407 3.641 20 0 BHADRN CC[C@@H](C)N(C)C(=O)N[C@H](C)CCCC(C)C ZINC000194156656 388724957 /nfs/dbraw/zinc/72/49/57/388724957.db2.gz YYENWJLCTAWDET-CHWSQXEVSA-N 0 0 242.407 3.641 20 0 BHADRN CC[C@H](C)N(C)C(=O)N[C@H](C)CCCC(C)C ZINC000194156670 388726039 /nfs/dbraw/zinc/72/60/39/388726039.db2.gz YYENWJLCTAWDET-OLZOCXBDSA-N 0 0 242.407 3.641 20 0 BHADRN Cc1ccc(/C=C/c2ccncn2)cc1Cl ZINC000194162077 206003695 /nfs/dbraw/zinc/00/36/95/206003695.db2.gz JHKQHODWJMQMLN-SNAWJCMRSA-N 0 0 230.698 3.609 20 0 BHADRN C/C(=C/c1ccc(C)c(Cl)c1)c1cnccn1 ZINC000194162163 206003475 /nfs/dbraw/zinc/00/34/75/206003475.db2.gz HNRXSBPNDXCBIC-XFFZJAGNSA-N 0 0 244.725 3.999 20 0 BHADRN CCOCCSCc1csc(C(C)C)n1 ZINC000194162172 134820480 /nfs/dbraw/zinc/82/04/80/134820480.db2.gz MGEUIGJHWWZYPA-UHFFFAOYSA-N 0 0 245.413 3.536 20 0 BHADRN CCOCCS[C@@H](C)c1ccccc1F ZINC000194167088 388725694 /nfs/dbraw/zinc/72/56/94/388725694.db2.gz MZNPLAQJRPEKIE-JTQLQIEISA-N 0 0 228.332 3.656 20 0 BHADRN CCOCCS[C@H](C)c1ccccc1F ZINC000194167101 388725385 /nfs/dbraw/zinc/72/53/85/388725385.db2.gz MZNPLAQJRPEKIE-SNVBAGLBSA-N 0 0 228.332 3.656 20 0 BHADRN CC(C)OCCSCc1cc(F)ccc1F ZINC000194168473 367261532 /nfs/dbraw/zinc/26/15/32/367261532.db2.gz MOHSBMCYPWHNGN-UHFFFAOYSA-N 0 0 246.322 3.623 20 0 BHADRN Cc1ccc(SC[C@@H]2CCCO2)cc1C ZINC000194169749 388480059 /nfs/dbraw/zinc/48/00/59/388480059.db2.gz MWSHKUORBXAJPJ-LBPRGKRZSA-N 0 0 222.353 3.575 20 0 BHADRN Cc1ccc(SC[C@H]2CCCO2)cc1C ZINC000194169767 367261620 /nfs/dbraw/zinc/26/16/20/367261620.db2.gz MWSHKUORBXAJPJ-GFCCVEGCSA-N 0 0 222.353 3.575 20 0 BHADRN Cc1ccc(Cl)c(NC[C@@H]2CCC=CO2)c1 ZINC000194171879 634308218 /nfs/dbraw/zinc/30/82/18/634308218.db2.gz IMVHPFVIEHVNHQ-NSHDSACASA-N 0 0 237.730 3.753 20 0 BHADRN Cc1ccc(Cl)c(NC[C@H]2CCC=CO2)c1 ZINC000194171888 634308897 /nfs/dbraw/zinc/30/88/97/634308897.db2.gz IMVHPFVIEHVNHQ-LLVKDONJSA-N 0 0 237.730 3.753 20 0 BHADRN C=Cn1cc(CNc2cc(C)ccc2Cl)cn1 ZINC000194171905 206002479 /nfs/dbraw/zinc/00/24/79/206002479.db2.gz WVHOPAMDBWECGT-UHFFFAOYSA-N 0 0 247.729 3.558 20 0 BHADRN Cc1cccc(NC[C@@H]2CCC=CO2)c1Cl ZINC000194172045 634307901 /nfs/dbraw/zinc/30/79/01/634307901.db2.gz VPAAZUZSRFQICH-NSHDSACASA-N 0 0 237.730 3.753 20 0 BHADRN Cc1cccc(NC[C@H]2CCC=CO2)c1Cl ZINC000194172053 644304178 /nfs/dbraw/zinc/30/41/78/644304178.db2.gz VPAAZUZSRFQICH-LLVKDONJSA-N 0 0 237.730 3.753 20 0 BHADRN C=Cn1cc(CNc2cccc(C)c2Cl)cn1 ZINC000194172083 367261460 /nfs/dbraw/zinc/26/14/60/367261460.db2.gz GIVIHDAJNNZAQI-UHFFFAOYSA-N 0 0 247.729 3.558 20 0 BHADRN CC(C)CCS[C@@H](C)c1nc(C2CC2)no1 ZINC000194172179 388725360 /nfs/dbraw/zinc/72/53/60/388725360.db2.gz NDHIDSKKLLRFEE-VIFPVBQESA-N 0 0 240.372 3.787 20 0 BHADRN CC(C)CCS[C@H](C)c1nc(C2CC2)no1 ZINC000194172191 388725977 /nfs/dbraw/zinc/72/59/77/388725977.db2.gz NDHIDSKKLLRFEE-SECBINFHSA-N 0 0 240.372 3.787 20 0 BHADRN CCOCCS[C@@H](C)c1c(F)cccc1F ZINC000194173196 259616326 /nfs/dbraw/zinc/61/63/26/259616326.db2.gz DKZXVXRTHRASJN-VIFPVBQESA-N 0 0 246.322 3.796 20 0 BHADRN CCOCCS[C@H](C)c1c(F)cccc1F ZINC000194173210 388725870 /nfs/dbraw/zinc/72/58/70/388725870.db2.gz DKZXVXRTHRASJN-SECBINFHSA-N 0 0 246.322 3.796 20 0 BHADRN CCOCCS[C@@H](C)c1ccc(F)cc1 ZINC000194176476 388480397 /nfs/dbraw/zinc/48/03/97/388480397.db2.gz VKXQJAQQCSAEEN-JTQLQIEISA-N 0 0 228.332 3.656 20 0 BHADRN CCOCCS[C@H](C)c1ccc(F)cc1 ZINC000194176489 388480265 /nfs/dbraw/zinc/48/02/65/388480265.db2.gz VKXQJAQQCSAEEN-SNVBAGLBSA-N 0 0 228.332 3.656 20 0 BHADRN Cc1ccc(SC[C@@H]2CCCO2)c(C)c1 ZINC000194177771 388725462 /nfs/dbraw/zinc/72/54/62/388725462.db2.gz SYESWJSAGVVLNQ-LBPRGKRZSA-N 0 0 222.353 3.575 20 0 BHADRN Cc1ccc(SC[C@H]2CCCO2)c(C)c1 ZINC000194177785 388725437 /nfs/dbraw/zinc/72/54/37/388725437.db2.gz SYESWJSAGVVLNQ-GFCCVEGCSA-N 0 0 222.353 3.575 20 0 BHADRN CCOCCS[C@@H](C)c1cccc(F)c1 ZINC000194180746 388481312 /nfs/dbraw/zinc/48/13/12/388481312.db2.gz UWNSBPKMFVPYSX-JTQLQIEISA-N 0 0 228.332 3.656 20 0 BHADRN CCOCCS[C@H](C)c1cccc(F)c1 ZINC000194180761 388481687 /nfs/dbraw/zinc/48/16/87/388481687.db2.gz UWNSBPKMFVPYSX-SNVBAGLBSA-N 0 0 228.332 3.656 20 0 BHADRN CCOCCS[C@@H](C)c1cc(F)ccc1F ZINC000194182549 388481493 /nfs/dbraw/zinc/48/14/93/388481493.db2.gz KXCXPQBPASZJBR-VIFPVBQESA-N 0 0 246.322 3.796 20 0 BHADRN CCOCCS[C@H](C)c1cc(F)ccc1F ZINC000194182563 388480933 /nfs/dbraw/zinc/48/09/33/388480933.db2.gz KXCXPQBPASZJBR-SECBINFHSA-N 0 0 246.322 3.796 20 0 BHADRN CCCCSCc1nnc(-c2ccccc2)o1 ZINC000194187501 347415585 /nfs/dbraw/zinc/41/55/85/347415585.db2.gz IAWRMAJOEWSBPK-UHFFFAOYSA-N 0 0 248.351 3.770 20 0 BHADRN Cc1cnc(S[C@@H](C)c2cccc(F)c2)nc1 ZINC000194187575 388726028 /nfs/dbraw/zinc/72/60/28/388726028.db2.gz VBVVBOZEQNFAIW-JTQLQIEISA-N 0 0 248.326 3.777 20 0 BHADRN Cc1cnc(S[C@H](C)c2cccc(F)c2)nc1 ZINC000194187588 388725478 /nfs/dbraw/zinc/72/54/78/388725478.db2.gz VBVVBOZEQNFAIW-SNVBAGLBSA-N 0 0 248.326 3.777 20 0 BHADRN CC(C)OCCOc1ccc2ccccc2c1 ZINC000194213504 347415548 /nfs/dbraw/zinc/41/55/48/347415548.db2.gz ZYAZMKWCBPMVLQ-UHFFFAOYSA-N 0 0 230.307 3.644 20 0 BHADRN CC(C)OCCOc1cccc(C(F)(F)F)c1 ZINC000194213839 388480863 /nfs/dbraw/zinc/48/08/63/388480863.db2.gz CCCMUKPVOKLNJA-UHFFFAOYSA-N 0 0 248.244 3.509 20 0 BHADRN CCCCCCC(=O)N(C)Cc1ccoc1C ZINC000194221198 644309938 /nfs/dbraw/zinc/30/99/38/644309938.db2.gz UBJQKYSBRWLFAG-UHFFFAOYSA-N 0 0 237.343 3.517 20 0 BHADRN COc1ccc2ccc(OCCSC)cc2c1 ZINC000194222445 367265826 /nfs/dbraw/zinc/26/58/26/367265826.db2.gz PCBZEMNKIFQACU-UHFFFAOYSA-N 0 0 248.347 3.590 20 0 BHADRN Cc1ccncc1NC(=O)[C@@H]1CCCCC1(C)C ZINC000194228090 385426740 /nfs/dbraw/zinc/42/67/40/385426740.db2.gz IRMRMCMNQLCUQJ-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1ccncc1NC(=O)[C@H]1CCCCC1(C)C ZINC000194228108 179493943 /nfs/dbraw/zinc/49/39/43/179493943.db2.gz IRMRMCMNQLCUQJ-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN C[C@@H]1CCN(Cc2cscn2)c2ccccc21 ZINC000194237420 367267207 /nfs/dbraw/zinc/26/72/07/367267207.db2.gz LIQONPLHPFMRGM-LLVKDONJSA-N 0 0 244.363 3.657 20 0 BHADRN C[C@H]1CCN(Cc2cscn2)c2ccccc21 ZINC000194237436 367265753 /nfs/dbraw/zinc/26/57/53/367265753.db2.gz LIQONPLHPFMRGM-NSHDSACASA-N 0 0 244.363 3.657 20 0 BHADRN Clc1ccccc1SC[C@@H]1CCCO1 ZINC000194241818 385427386 /nfs/dbraw/zinc/42/73/86/385427386.db2.gz CTMNODJVLCWZTP-VIFPVBQESA-N 0 0 228.744 3.611 20 0 BHADRN Clc1ccccc1SC[C@H]1CCCO1 ZINC000194241835 387360583 /nfs/dbraw/zinc/36/05/83/387360583.db2.gz CTMNODJVLCWZTP-SECBINFHSA-N 0 0 228.744 3.611 20 0 BHADRN CSCCOc1ccc(Cl)cc1Cl ZINC000194243597 206004989 /nfs/dbraw/zinc/00/49/89/206004989.db2.gz SOJKSNGQTHIIRX-UHFFFAOYSA-N 0 0 237.151 3.735 20 0 BHADRN CCC1(NC(=O)[C@@H]2CCCCC2(C)C)CCC1 ZINC000194259310 206005053 /nfs/dbraw/zinc/00/50/53/206005053.db2.gz XEXXPDHLHZYZCW-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)[C@H]2CCCCC2(C)C)CCC1 ZINC000194259324 206005125 /nfs/dbraw/zinc/00/51/25/206005125.db2.gz XEXXPDHLHZYZCW-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCN(Cc1cc(C)no1)c1cc(C)ccc1C ZINC000194277206 388571060 /nfs/dbraw/zinc/57/10/60/388571060.db2.gz VNSILZDKERPYLS-UHFFFAOYSA-N 0 0 244.338 3.626 20 0 BHADRN CSCCOc1cccc(Cl)c1Cl ZINC000194277895 206005889 /nfs/dbraw/zinc/00/58/89/206005889.db2.gz CPNNAXQWGUKIJY-UHFFFAOYSA-N 0 0 237.151 3.735 20 0 BHADRN 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/nfs/dbraw/zinc/74/49/33/388744933.db2.gz CGSXXYLQHUOZIS-OAHLLOKOSA-N 0 0 247.382 3.704 20 0 BHADRN CCC[C@H](CC)NC(=O)CCCc1ccccc1 ZINC000194874617 388745272 /nfs/dbraw/zinc/74/52/72/388745272.db2.gz CGSXXYLQHUOZIS-HNNXBMFYSA-N 0 0 247.382 3.704 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194877640 206113509 /nfs/dbraw/zinc/11/35/09/206113509.db2.gz AELZADVDFLITIE-GHMZBOCLSA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194877652 206113363 /nfs/dbraw/zinc/11/33/63/206113363.db2.gz AELZADVDFLITIE-WDEREUQCSA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194877667 206112760 /nfs/dbraw/zinc/11/27/60/206112760.db2.gz AELZADVDFLITIE-MNOVXSKESA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194877680 206112806 /nfs/dbraw/zinc/11/28/06/206112806.db2.gz AELZADVDFLITIE-QWRGUYRKSA-N 0 0 244.338 3.789 20 0 BHADRN CCCCCCC(=O)N[C@@H](CC)CCC ZINC000194880816 644352249 /nfs/dbraw/zinc/35/22/49/644352249.db2.gz VWHZMGOXHHTMGH-LBPRGKRZSA-N 0 0 213.365 3.652 20 0 BHADRN CCCCCCC(=O)N[C@H](CC)CCC ZINC000194880830 644352446 /nfs/dbraw/zinc/35/24/46/644352446.db2.gz VWHZMGOXHHTMGH-GFCCVEGCSA-N 0 0 213.365 3.652 20 0 BHADRN CCC[C@@H](CC)NC(=O)CCc1ccc(C)cc1 ZINC000194887261 388745489 /nfs/dbraw/zinc/74/54/89/388745489.db2.gz SCKSLCUWALWJNO-OAHLLOKOSA-N 0 0 247.382 3.623 20 0 BHADRN CCC[C@H](CC)NC(=O)CCc1ccc(C)cc1 ZINC000194887279 388745339 /nfs/dbraw/zinc/74/53/39/388745339.db2.gz SCKSLCUWALWJNO-HNNXBMFYSA-N 0 0 247.382 3.623 20 0 BHADRN CCC[C@@H](CC)NC(=O)CCc1cccc(C)c1 ZINC000194887300 388745488 /nfs/dbraw/zinc/74/54/88/388745488.db2.gz CIRTZUPZLKVIIQ-OAHLLOKOSA-N 0 0 247.382 3.623 20 0 BHADRN CCC[C@H](CC)NC(=O)CCc1cccc(C)c1 ZINC000194887317 388745178 /nfs/dbraw/zinc/74/51/78/388745178.db2.gz CIRTZUPZLKVIIQ-HNNXBMFYSA-N 0 0 247.382 3.623 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1ccc(C)cc1C ZINC000194895724 388746175 /nfs/dbraw/zinc/74/61/75/388746175.db2.gz JKEZDGKHYKUPLO-CYBMUJFWSA-N 0 0 233.355 3.612 20 0 BHADRN CCC[C@H](CC)NC(=O)c1ccc(C)cc1C ZINC000194895739 388745930 /nfs/dbraw/zinc/74/59/30/388745930.db2.gz JKEZDGKHYKUPLO-ZDUSSCGKSA-N 0 0 233.355 3.612 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@@H](CC)c1ccccc1 ZINC000194897557 259629857 /nfs/dbraw/zinc/62/98/57/259629857.db2.gz PKOKIRMBNDXQIB-CABCVRRESA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@@H](CC)c1ccccc1 ZINC000194897569 388745873 /nfs/dbraw/zinc/74/58/73/388745873.db2.gz PKOKIRMBNDXQIB-GJZGRUSLSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@H](CC)c1ccccc1 ZINC000194897587 388746007 /nfs/dbraw/zinc/74/60/07/388746007.db2.gz PKOKIRMBNDXQIB-HUUCEWRRSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@H](CC)c1ccccc1 ZINC000194897600 388745944 /nfs/dbraw/zinc/74/59/44/388745944.db2.gz PKOKIRMBNDXQIB-LSDHHAIUSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1cccc(C)c1C ZINC000194898653 259629780 /nfs/dbraw/zinc/62/97/80/259629780.db2.gz XSKAEKSFFVOVJZ-CYBMUJFWSA-N 0 0 233.355 3.612 20 0 BHADRN CCC[C@H](CC)NC(=O)c1cccc(C)c1C ZINC000194898666 388746075 /nfs/dbraw/zinc/74/60/75/388746075.db2.gz XSKAEKSFFVOVJZ-ZDUSSCGKSA-N 0 0 233.355 3.612 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1ccccc1Cl ZINC000194898819 388745913 /nfs/dbraw/zinc/74/59/13/388745913.db2.gz SJEUSEGSDQWJKY-SNVBAGLBSA-N 0 0 239.746 3.649 20 0 BHADRN CCC[C@H](CC)NC(=O)c1ccccc1Cl ZINC000194898835 388745952 /nfs/dbraw/zinc/74/59/52/388745952.db2.gz SJEUSEGSDQWJKY-JTQLQIEISA-N 0 0 239.746 3.649 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1cc(C)ccc1C ZINC000194900165 259629838 /nfs/dbraw/zinc/62/98/38/259629838.db2.gz GDJHYIVHYBWMNM-CYBMUJFWSA-N 0 0 233.355 3.612 20 0 BHADRN CCC[C@H](CC)NC(=O)c1cc(C)ccc1C ZINC000194900178 388745936 /nfs/dbraw/zinc/74/59/36/388745936.db2.gz GDJHYIVHYBWMNM-ZDUSSCGKSA-N 0 0 233.355 3.612 20 0 BHADRN CCC[C@@H](CC)NC(=O)CCC1CCCC1 ZINC000194900227 388746245 /nfs/dbraw/zinc/74/62/45/388746245.db2.gz APAARDXVUURRGS-CYBMUJFWSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H](CC)NC(=O)CCC1CCCC1 ZINC000194900242 388745926 /nfs/dbraw/zinc/74/59/26/388745926.db2.gz APAARDXVUURRGS-ZDUSSCGKSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1ccc(Cl)s1 ZINC000194901525 259629459 /nfs/dbraw/zinc/62/94/59/259629459.db2.gz CNRLYYOFESJTAL-MRVPVSSYSA-N 0 0 245.775 3.710 20 0 BHADRN CCC[C@H](CC)NC(=O)c1ccc(Cl)s1 ZINC000194901540 388746318 /nfs/dbraw/zinc/74/63/18/388746318.db2.gz CNRLYYOFESJTAL-QMMMGPOBSA-N 0 0 245.775 3.710 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1cc2ccccc2o1 ZINC000194901815 388745838 /nfs/dbraw/zinc/74/58/38/388745838.db2.gz KNNRAFYFAUBAEH-GFCCVEGCSA-N 0 0 245.322 3.741 20 0 BHADRN CCC[C@H](CC)NC(=O)c1cc2ccccc2o1 ZINC000194901827 388746106 /nfs/dbraw/zinc/74/61/06/388746106.db2.gz KNNRAFYFAUBAEH-LBPRGKRZSA-N 0 0 245.322 3.741 20 0 BHADRN CCC[C@@H](CC)NC(=O)C(C)(C)c1ccccc1 ZINC000194902961 388746222 /nfs/dbraw/zinc/74/62/22/388746222.db2.gz REKYKSRVFDLRIN-CQSZACIVSA-N 0 0 247.382 3.659 20 0 BHADRN CCC[C@H](CC)NC(=O)C(C)(C)c1ccccc1 ZINC000194902976 388745750 /nfs/dbraw/zinc/74/57/50/388745750.db2.gz REKYKSRVFDLRIN-AWEZNQCLSA-N 0 0 247.382 3.659 20 0 BHADRN CC[C@@H](C)N(C)C(=O)CC(C)(C)c1ccccc1 ZINC000194904419 388455486 /nfs/dbraw/zinc/45/54/86/388455486.db2.gz VJMHOFGDGRVVIS-CYBMUJFWSA-N 0 0 247.382 3.611 20 0 BHADRN CC[C@H](C)N(C)C(=O)CC(C)(C)c1ccccc1 ZINC000194904440 388455550 /nfs/dbraw/zinc/45/55/50/388455550.db2.gz VJMHOFGDGRVVIS-ZDUSSCGKSA-N 0 0 247.382 3.611 20 0 BHADRN CCC[C@@H](CC)NC(=O)CC1CCCCC1 ZINC000194906748 388746248 /nfs/dbraw/zinc/74/62/48/388746248.db2.gz OKMJVWHKHJDUHU-CYBMUJFWSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H](CC)NC(=O)CC1CCCCC1 ZINC000194906760 388746251 /nfs/dbraw/zinc/74/62/51/388746251.db2.gz OKMJVWHKHJDUHU-ZDUSSCGKSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@@H](CC)NC(=O)C[C@@H](C)c1ccccc1 ZINC000194908500 388746018 /nfs/dbraw/zinc/74/60/18/388746018.db2.gz VYPLRJZBUVTCAU-UKRRQHHQSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@H](CC)NC(=O)C[C@@H](C)c1ccccc1 ZINC000194908514 388746275 /nfs/dbraw/zinc/74/62/75/388746275.db2.gz VYPLRJZBUVTCAU-HIFRSBDPSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@@H](CC)NC(=O)C[C@H](C)c1ccccc1 ZINC000194908521 388746266 /nfs/dbraw/zinc/74/62/66/388746266.db2.gz VYPLRJZBUVTCAU-DZGCQCFKSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@H](CC)NC(=O)C[C@H](C)c1ccccc1 ZINC000194908535 259630271 /nfs/dbraw/zinc/63/02/71/259630271.db2.gz VYPLRJZBUVTCAU-ZFWWWQNUSA-N 0 0 247.382 3.875 20 0 BHADRN CCN(C(=O)CC(C)(C)c1ccccc1)C(C)C ZINC000194922449 388746605 /nfs/dbraw/zinc/74/66/05/388746605.db2.gz DZWXYAXYEYSWIX-UHFFFAOYSA-N 0 0 247.382 3.611 20 0 BHADRN CCCCN(C(=O)Cc1ccccc1)[C@@H](C)CC ZINC000194933544 388457206 /nfs/dbraw/zinc/45/72/06/388457206.db2.gz RPBLSROFTAQVSQ-AWEZNQCLSA-N 0 0 247.382 3.656 20 0 BHADRN CCCCN(C(=O)Cc1ccccc1)[C@H](C)CC ZINC000194933559 388456771 /nfs/dbraw/zinc/45/67/71/388456771.db2.gz RPBLSROFTAQVSQ-CQSZACIVSA-N 0 0 247.382 3.656 20 0 BHADRN CCCCN(C(=O)c1ccc(C)o1)[C@@H](C)CC ZINC000194933685 388746952 /nfs/dbraw/zinc/74/69/52/388746952.db2.gz OJQQLZGXJPNJFI-NSHDSACASA-N 0 0 237.343 3.629 20 0 BHADRN CCCCN(C(=O)c1ccc(C)o1)[C@H](C)CC ZINC000194933698 388747161 /nfs/dbraw/zinc/74/71/61/388747161.db2.gz OJQQLZGXJPNJFI-LLVKDONJSA-N 0 0 237.343 3.629 20 0 BHADRN Cc1oncc1-c1csc(C2CCCC2)n1 ZINC000194940986 385453032 /nfs/dbraw/zinc/45/30/32/385453032.db2.gz YNQOLKBICOFPPI-UHFFFAOYSA-N 0 0 234.324 3.764 20 0 BHADRN CCN(CC(C)C)C(=O)Nc1ccccc1C ZINC000194942400 367324756 /nfs/dbraw/zinc/32/47/56/367324756.db2.gz DLEXBWOGWLDPMM-UHFFFAOYSA-N 0 0 234.343 3.505 20 0 BHADRN CCN(CC(C)C)C(=O)Nc1cccc(C)c1C ZINC000194942441 367325147 /nfs/dbraw/zinc/32/51/47/367325147.db2.gz RKOLOZWKCUQOSG-UHFFFAOYSA-N 0 0 248.370 3.813 20 0 BHADRN CCN(CC(C)C)C(=O)Nc1ccc(C)c(C)c1 ZINC000194942531 367324779 /nfs/dbraw/zinc/32/47/79/367324779.db2.gz BNURAPRCGJQKBR-UHFFFAOYSA-N 0 0 248.370 3.813 20 0 BHADRN CCN(CC(C)C)C(=O)Nc1cc(C)cc(C)c1 ZINC000194943933 367325170 /nfs/dbraw/zinc/32/51/70/367325170.db2.gz MANZRZVLPAVIPK-UHFFFAOYSA-N 0 0 248.370 3.813 20 0 BHADRN CCc1ccc(NC(=O)N(CC)CC(C)C)cc1 ZINC000194944378 367325151 /nfs/dbraw/zinc/32/51/51/367325151.db2.gz FFIRNXRBYCEMFO-UHFFFAOYSA-N 0 0 248.370 3.759 20 0 BHADRN Cc1ccccc1CN(CC(F)(F)F)C1CC1 ZINC000194968712 388747831 /nfs/dbraw/zinc/74/78/31/388747831.db2.gz LNBWBVJANKYSCS-UHFFFAOYSA-N 0 0 243.272 3.522 20 0 BHADRN COc1cccc(C)c1NC(=O)/C=C/C(C)(C)C ZINC000194975376 388747727 /nfs/dbraw/zinc/74/77/27/388747727.db2.gz CISWTIAFIOPLRB-MDZDMXLPSA-N 0 0 247.338 3.544 20 0 BHADRN CCC(CC)CC(=O)Nc1c(C)cccc1OC ZINC000194977426 259503716 /nfs/dbraw/zinc/50/37/16/259503716.db2.gz ZZAHXMTWBQYPDP-UHFFFAOYSA-N 0 0 249.354 3.768 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1c(C)cccc1OC ZINC000194983254 528875316 /nfs/dbraw/zinc/87/53/16/528875316.db2.gz WEWMVTXKWBVREQ-LLVKDONJSA-N 0 0 249.354 3.768 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1c(C)cccc1OC ZINC000194983267 528030616 /nfs/dbraw/zinc/03/06/16/528030616.db2.gz WEWMVTXKWBVREQ-NSHDSACASA-N 0 0 249.354 3.768 20 0 BHADRN CCC(=CC(=O)Nc1c(C)cccc1OC)CC ZINC000194985214 634342224 /nfs/dbraw/zinc/34/22/24/634342224.db2.gz CFMOUOUNILQDGJ-UHFFFAOYSA-N 0 0 247.338 3.689 20 0 BHADRN COc1cccc(C)c1NC(=O)C1CCCCC1 ZINC000194988258 539008795 /nfs/dbraw/zinc/00/87/95/539008795.db2.gz YUQZUDQNICLHPB-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN Cc1cc(NCc2ccc(C)c(Cl)c2)no1 ZINC000195002607 135655091 /nfs/dbraw/zinc/65/50/91/135655091.db2.gz JTMAFQWISKSXFZ-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN CCCCCCC(=O)Nc1c(C)cccc1OC ZINC000195004821 634346704 /nfs/dbraw/zinc/34/67/04/634346704.db2.gz AMBLMQZWUDDAKE-UHFFFAOYSA-N 0 0 249.354 3.913 20 0 BHADRN Cc1conc1NCc1ccc(C)c(Cl)c1 ZINC000195010384 134833666 /nfs/dbraw/zinc/83/36/66/134833666.db2.gz ORCKGSSYUGILLT-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)cccc1OC ZINC000195010413 529389809 /nfs/dbraw/zinc/38/98/09/529389809.db2.gz VVGATJQHWFNMPV-ZYHUDNBSSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)cccc1OC ZINC000195010421 388083147 /nfs/dbraw/zinc/08/31/47/388083147.db2.gz VVGATJQHWFNMPV-CMPLNLGQSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)cccc1OC ZINC000195010432 205701383 /nfs/dbraw/zinc/70/13/83/205701383.db2.gz VVGATJQHWFNMPV-PWSUYJOCSA-N 0 0 249.354 3.624 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1c(C)cccc1OC ZINC000195010440 529235822 /nfs/dbraw/zinc/23/58/22/529235822.db2.gz VVGATJQHWFNMPV-JQWIXIFHSA-N 0 0 249.354 3.624 20 0 BHADRN COc1cccc(C)c1NC(=O)CCC1CCC1 ZINC000195027336 388083763 /nfs/dbraw/zinc/08/37/63/388083763.db2.gz NTJKNYXCABWBOW-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN CCCCCC(=O)Nc1c(C)cccc1OC ZINC000195029631 528110417 /nfs/dbraw/zinc/11/04/17/528110417.db2.gz MNRFYUMHTWBPCR-UHFFFAOYSA-N 0 0 235.327 3.522 20 0 BHADRN COc1cccc(C)c1NC(=O)CC1CCCC1 ZINC000195029675 224896561 /nfs/dbraw/zinc/89/65/61/224896561.db2.gz VEJWWDDLEORYBB-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN COc1cccc(C)c1NC(=O)C[C@@H](C)C(C)C ZINC000195032173 385457447 /nfs/dbraw/zinc/45/74/47/385457447.db2.gz OQIUODRBKVRLHR-GFCCVEGCSA-N 0 0 249.354 3.624 20 0 BHADRN COc1cccc(C)c1NC(=O)C[C@H](C)C(C)C ZINC000195032186 388084089 /nfs/dbraw/zinc/08/40/89/388084089.db2.gz OQIUODRBKVRLHR-LBPRGKRZSA-N 0 0 249.354 3.624 20 0 BHADRN COc1cccc(C)c1NC(=O)[C@@H](C)CC(C)C ZINC000195034838 388084325 /nfs/dbraw/zinc/08/43/25/388084325.db2.gz XCXWWKZZNOPVGJ-LBPRGKRZSA-N 0 0 249.354 3.624 20 0 BHADRN COc1cccc(C)c1NC(=O)[C@H](C)CC(C)C ZINC000195034850 388084371 /nfs/dbraw/zinc/08/43/71/388084371.db2.gz XCXWWKZZNOPVGJ-GFCCVEGCSA-N 0 0 249.354 3.624 20 0 BHADRN CCSCc1ccccc1OC(F)F ZINC000195034899 259399219 /nfs/dbraw/zinc/39/92/19/259399219.db2.gz SXGDWOGHKZYFPM-UHFFFAOYSA-N 0 0 218.268 3.541 20 0 BHADRN CCCCN(C(=O)N(C)C)[C@@H](C)c1ccccc1 ZINC000195047088 367334235 /nfs/dbraw/zinc/33/42/35/367334235.db2.gz LQIDZHUIGSSQDO-ZDUSSCGKSA-N 0 0 248.370 3.531 20 0 BHADRN CCCCN(C(=O)N(C)C)[C@H](C)c1ccccc1 ZINC000195047101 367334152 /nfs/dbraw/zinc/33/41/52/367334152.db2.gz LQIDZHUIGSSQDO-CYBMUJFWSA-N 0 0 248.370 3.531 20 0 BHADRN C[C@@H]1COCC[C@@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000195048892 224898168 /nfs/dbraw/zinc/89/81/68/224898168.db2.gz WLTICAKXGZVMPW-DOMZBBRYSA-N 0 0 247.382 3.821 20 0 BHADRN C[C@H]1COCC[C@@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000195048905 388084867 /nfs/dbraw/zinc/08/48/67/388084867.db2.gz WLTICAKXGZVMPW-WFASDCNBSA-N 0 0 247.382 3.821 20 0 BHADRN C[C@@H]1COCC[C@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000195048916 388085111 /nfs/dbraw/zinc/08/51/11/388085111.db2.gz WLTICAKXGZVMPW-IUODEOHRSA-N 0 0 247.382 3.821 20 0 BHADRN C[C@H]1COCC[C@H]1Nc1ccc(C(C)(C)C)cc1 ZINC000195048930 388085113 /nfs/dbraw/zinc/08/51/13/388085113.db2.gz WLTICAKXGZVMPW-SWLSCSKDSA-N 0 0 247.382 3.821 20 0 BHADRN CCCCc1ccc(N[C@@H]2CCOC[C@@H]2C)cc1 ZINC000195049026 388084878 /nfs/dbraw/zinc/08/48/78/388084878.db2.gz BXBARBUVOCIEJH-XJKSGUPXSA-N 0 0 247.382 3.866 20 0 BHADRN CCCCc1ccc(N[C@H]2CCOC[C@@H]2C)cc1 ZINC000195049037 388085066 /nfs/dbraw/zinc/08/50/66/388085066.db2.gz BXBARBUVOCIEJH-BBRMVZONSA-N 0 0 247.382 3.866 20 0 BHADRN CCCCc1ccc(N[C@@H]2CCOC[C@H]2C)cc1 ZINC000195049049 388085361 /nfs/dbraw/zinc/08/53/61/388085361.db2.gz BXBARBUVOCIEJH-CZUORRHYSA-N 0 0 247.382 3.866 20 0 BHADRN CCCCc1ccc(N[C@H]2CCOC[C@H]2C)cc1 ZINC000195049065 388085166 /nfs/dbraw/zinc/08/51/66/388085166.db2.gz BXBARBUVOCIEJH-CJNGLKHVSA-N 0 0 247.382 3.866 20 0 BHADRN CC(C)c1ccc(N[C@H]2CCOC[C@H]2C)cc1 ZINC000195049080 167606434 /nfs/dbraw/zinc/60/64/34/167606434.db2.gz LJKLZHONWCFVDF-DOMZBBRYSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1ccc(N[C@H]2CCOC[C@@H]2C)cc1 ZINC000195049093 385457645 /nfs/dbraw/zinc/45/76/45/385457645.db2.gz LJKLZHONWCFVDF-WFASDCNBSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1ccc(N[C@@H]2CCOC[C@H]2C)cc1 ZINC000195049104 385457526 /nfs/dbraw/zinc/45/75/26/385457526.db2.gz LJKLZHONWCFVDF-IUODEOHRSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1ccc(N[C@@H]2CCOC[C@@H]2C)cc1 ZINC000195049116 167605846 /nfs/dbraw/zinc/60/58/46/167605846.db2.gz LJKLZHONWCFVDF-SWLSCSKDSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1cccc(N[C@H]2CCOC[C@H]2C)c1 ZINC000195049965 388085360 /nfs/dbraw/zinc/08/53/60/388085360.db2.gz YYSKXLNCKZNCTL-DOMZBBRYSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1cccc(N[C@H]2CCOC[C@@H]2C)c1 ZINC000195049982 388084939 /nfs/dbraw/zinc/08/49/39/388084939.db2.gz YYSKXLNCKZNCTL-WFASDCNBSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1cccc(N[C@@H]2CCOC[C@H]2C)c1 ZINC000195049992 388085445 /nfs/dbraw/zinc/08/54/45/388085445.db2.gz YYSKXLNCKZNCTL-IUODEOHRSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1cccc(N[C@@H]2CCOC[C@@H]2C)c1 ZINC000195050006 388085287 /nfs/dbraw/zinc/08/52/87/388085287.db2.gz YYSKXLNCKZNCTL-SWLSCSKDSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1ccccc1N[C@H]1CCOC[C@H]1C ZINC000195073703 385458676 /nfs/dbraw/zinc/45/86/76/385458676.db2.gz NCPCECWPBGWNIJ-OCCSQVGLSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1ccccc1N[C@H]1CCOC[C@@H]1C ZINC000195073717 385458617 /nfs/dbraw/zinc/45/86/17/385458617.db2.gz NCPCECWPBGWNIJ-JSGCOSHPSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1ccccc1N[C@@H]1CCOC[C@H]1C ZINC000195073730 167641537 /nfs/dbraw/zinc/64/15/37/167641537.db2.gz NCPCECWPBGWNIJ-TZMCWYRMSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)c1ccccc1N[C@@H]1CCOC[C@@H]1C ZINC000195073744 385459195 /nfs/dbraw/zinc/45/91/95/385459195.db2.gz NCPCECWPBGWNIJ-GXTWGEPZSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)CCC(=O)Nc1ccc2scnc2c1 ZINC000195090252 259596268 /nfs/dbraw/zinc/59/62/68/259596268.db2.gz XDHBYSBZCITMDT-UHFFFAOYSA-N 0 0 248.351 3.671 20 0 BHADRN CCCCCC(=O)Nc1ccc2scnc2c1 ZINC000195091954 388695939 /nfs/dbraw/zinc/69/59/39/388695939.db2.gz LKXCGMSJTHYXCA-UHFFFAOYSA-N 0 0 248.351 3.815 20 0 BHADRN CC(C)(C)CC(=O)Nc1ccc2scnc2c1 ZINC000195092413 259596233 /nfs/dbraw/zinc/59/62/33/259596233.db2.gz CRJWHYCFFWKMII-UHFFFAOYSA-N 0 0 248.351 3.671 20 0 BHADRN FCCCSc1nc(-c2ccccc2)co1 ZINC000195098563 388097055 /nfs/dbraw/zinc/09/70/55/388097055.db2.gz PGWMZWQMSLIEGJ-UHFFFAOYSA-N 0 0 237.299 3.793 20 0 BHADRN FC(F)CSc1nc(-c2ccccc2)co1 ZINC000195100346 387904729 /nfs/dbraw/zinc/90/47/29/387904729.db2.gz LSZAUHXGSOECMS-UHFFFAOYSA-N 0 0 241.262 3.699 20 0 BHADRN CCC[C@H](NC(=O)N(C)CCC)c1ccccc1 ZINC000195124933 388697792 /nfs/dbraw/zinc/69/77/92/388697792.db2.gz RNYOHRGOJVYHKV-AWEZNQCLSA-N 0 0 248.370 3.579 20 0 BHADRN CCC[C@@H](NC(=O)N(C)CCC)c1ccccc1 ZINC000195124945 388697565 /nfs/dbraw/zinc/69/75/65/388697565.db2.gz RNYOHRGOJVYHKV-CQSZACIVSA-N 0 0 248.370 3.579 20 0 BHADRN Cc1cc(CN(c2ccc(F)cc2)C(C)C)on1 ZINC000195126325 134836415 /nfs/dbraw/zinc/83/64/15/134836415.db2.gz NIMFSNMQSWDJOH-UHFFFAOYSA-N 0 0 248.301 3.537 20 0 BHADRN Cc1ncc(CN(c2ccccc2)C(C)C)s1 ZINC000195131542 388697679 /nfs/dbraw/zinc/69/76/79/388697679.db2.gz DACQVPQMCMVXTF-UHFFFAOYSA-N 0 0 246.379 3.867 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)C1CCCCC1 ZINC000195132341 388098250 /nfs/dbraw/zinc/09/82/50/388098250.db2.gz RJPYLEWGUUDYPZ-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccccc1C(=O)N(CC1CCC1)C(C)C ZINC000195132383 179245512 /nfs/dbraw/zinc/24/55/12/179245512.db2.gz PAVWQEQSCNEWMT-UHFFFAOYSA-N 0 0 245.366 3.646 20 0 BHADRN CCCCCCC(=O)N(C)C(C1CC1)C1CC1 ZINC000195141930 644361900 /nfs/dbraw/zinc/36/19/00/644361900.db2.gz NXXGHVZVLSGRBM-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000195142449 388098090 /nfs/dbraw/zinc/09/80/90/388098090.db2.gz QFLGTOXUUBFXMO-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000195142458 388098004 /nfs/dbraw/zinc/09/80/04/388098004.db2.gz QFLGTOXUUBFXMO-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000195142472 529409854 /nfs/dbraw/zinc/40/98/54/529409854.db2.gz QFLGTOXUUBFXMO-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000195142483 388097971 /nfs/dbraw/zinc/09/79/71/388097971.db2.gz QFLGTOXUUBFXMO-STQMWFEESA-N 0 0 239.403 3.706 20 0 BHADRN Cc1cc(C(=O)N(CC2CCC2)C(C)C)c(C)o1 ZINC000195147429 385460140 /nfs/dbraw/zinc/46/01/40/385460140.db2.gz YYKDQSQFPBFLNM-UHFFFAOYSA-N 0 0 249.354 3.547 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)CCC1CCC1 ZINC000195149712 388097659 /nfs/dbraw/zinc/09/76/59/388097659.db2.gz KGRQBZOKUQOLPB-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC(=O)N(CC1CCC1)C(C)C ZINC000195150865 388097819 /nfs/dbraw/zinc/09/78/19/388097819.db2.gz QRXMXIIBTRUMDQ-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1ccc(C(=O)N(CC2CCC2)C(C)C)cc1 ZINC000195150883 178382940 /nfs/dbraw/zinc/38/29/40/178382940.db2.gz PXLJYHMSJJZMPB-UHFFFAOYSA-N 0 0 245.366 3.646 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)CC1CCCC1 ZINC000195150998 388098143 /nfs/dbraw/zinc/09/81/43/388098143.db2.gz BIAYUKCULBZTAJ-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1cccc(C(=O)N(CC2CCC2)C(C)C)c1 ZINC000195151101 179006255 /nfs/dbraw/zinc/00/62/55/179006255.db2.gz XYLBNKFKPJJAFR-UHFFFAOYSA-N 0 0 245.366 3.646 20 0 BHADRN CC(C)[C@@H](C)CC(=O)N(CC1CCC1)C(C)C ZINC000195152760 388097936 /nfs/dbraw/zinc/09/79/36/388097936.db2.gz KXRKADOGLRINBJ-ZDUSSCGKSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)[C@H](C)CC(=O)N(CC1CCC1)C(C)C ZINC000195152779 385462106 /nfs/dbraw/zinc/46/21/06/385462106.db2.gz KXRKADOGLRINBJ-CYBMUJFWSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)CC1=CCCCC1 ZINC000195153008 528870979 /nfs/dbraw/zinc/87/09/79/528870979.db2.gz JXTLTMLIRAGQKI-UHFFFAOYSA-N 0 0 249.398 3.914 20 0 BHADRN Cc1cc(C)c(C(=O)N(CC2CCC2)C(C)C)o1 ZINC000195153318 177841182 /nfs/dbraw/zinc/84/11/82/177841182.db2.gz RZVHPPUJGQWIGN-UHFFFAOYSA-N 0 0 249.354 3.547 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000195153921 219871037 /nfs/dbraw/zinc/87/10/37/219871037.db2.gz FFXIWXRBBGUIHQ-CYBMUJFWSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000195153934 388097687 /nfs/dbraw/zinc/09/76/87/388097687.db2.gz FFXIWXRBBGUIHQ-ZDUSSCGKSA-N 0 0 239.403 3.706 20 0 BHADRN CCC(CC)SCc1cnc(C)s1 ZINC000195186105 388114852 /nfs/dbraw/zinc/11/48/52/388114852.db2.gz CANLDBVVSFURAK-UHFFFAOYSA-N 0 0 215.387 3.873 20 0 BHADRN CCC(CC)SCc1nc(C(C)(C)C)no1 ZINC000195186549 259598961 /nfs/dbraw/zinc/59/89/61/259598961.db2.gz QPFYLIPODMYSIS-UHFFFAOYSA-N 0 0 242.388 3.789 20 0 BHADRN CCC(CC)SCc1nc(C(C)C)no1 ZINC000195186632 259399046 /nfs/dbraw/zinc/39/90/46/259399046.db2.gz UFZSHMLJGYQDFR-UHFFFAOYSA-N 0 0 228.361 3.615 20 0 BHADRN CSCc1csc(C2CCCC2)n1 ZINC000195203218 388136247 /nfs/dbraw/zinc/13/62/47/388136247.db2.gz QTKJPXAMQDGOSM-UHFFFAOYSA-N 0 0 213.371 3.664 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1nc(C)c(C)s1 ZINC000195215264 169358477 /nfs/dbraw/zinc/35/84/77/169358477.db2.gz FIJWBKYOSXECDW-MRVPVSSYSA-N 0 0 240.372 3.525 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1nc(C)c(C)s1 ZINC000195215275 385463335 /nfs/dbraw/zinc/46/33/35/385463335.db2.gz FIJWBKYOSXECDW-QMMMGPOBSA-N 0 0 240.372 3.525 20 0 BHADRN Cc1ccc2nc(-c3cc(Cl)cs3)[nH]c2n1 ZINC000195219402 534486614 /nfs/dbraw/zinc/48/66/14/534486614.db2.gz UHXWIIQWFYMLFP-UHFFFAOYSA-N 0 0 249.726 3.648 20 0 BHADRN CCC(CC)CC(=O)Nc1ccc(COC)cc1 ZINC000195219580 634353295 /nfs/dbraw/zinc/35/32/95/634353295.db2.gz HATWCAGOXOXSPA-UHFFFAOYSA-N 0 0 249.354 3.598 20 0 BHADRN CSc1ccc(OCCOC(C)(C)C)cc1 ZINC000195220138 367350804 /nfs/dbraw/zinc/35/08/04/367350804.db2.gz LRMARGUXHZGYBF-UHFFFAOYSA-N 0 0 240.368 3.602 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc(COC)cc1 ZINC000195224242 644367847 /nfs/dbraw/zinc/36/78/47/644367847.db2.gz SUDSODMLUGYVMB-GFCCVEGCSA-N 0 0 249.354 3.598 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc(COC)cc1 ZINC000195224255 644368744 /nfs/dbraw/zinc/36/87/44/644368744.db2.gz SUDSODMLUGYVMB-LBPRGKRZSA-N 0 0 249.354 3.598 20 0 BHADRN CCC(=CC(=O)Nc1ccc(COC)cc1)CC ZINC000195225936 644371790 /nfs/dbraw/zinc/37/17/90/644371790.db2.gz YLBYUOHDARWBKL-UHFFFAOYSA-N 0 0 247.338 3.518 20 0 BHADRN CCCCSCc1cc(-c2ccco2)on1 ZINC000195226472 641714486 /nfs/dbraw/zinc/71/44/86/641714486.db2.gz PBXKRUDWLPEGAM-UHFFFAOYSA-N 0 0 237.324 3.968 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1c(C)cc(C)nc1C ZINC000195226900 541469994 /nfs/dbraw/zinc/46/99/94/541469994.db2.gz RLNUZHVJRTZODN-SNVBAGLBSA-N 0 0 248.370 3.772 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1c(C)cc(C)nc1C ZINC000195226913 388701654 /nfs/dbraw/zinc/70/16/54/388701654.db2.gz RLNUZHVJRTZODN-JTQLQIEISA-N 0 0 248.370 3.772 20 0 BHADRN CCC[C@@H](CC)NC(=O)Nc1ccc(F)cc1 ZINC000195237931 398110801 /nfs/dbraw/zinc/11/08/01/398110801.db2.gz OOXYYQPNUZHXBU-LLVKDONJSA-N 0 0 238.306 3.526 20 0 BHADRN CCC[C@H](CC)NC(=O)Nc1ccc(F)cc1 ZINC000195237942 398110870 /nfs/dbraw/zinc/11/08/70/398110870.db2.gz OOXYYQPNUZHXBU-NSHDSACASA-N 0 0 238.306 3.526 20 0 BHADRN CCC[C@@H](CC)NC(=O)Nc1ccccc1F ZINC000195238168 398110528 /nfs/dbraw/zinc/11/05/28/398110528.db2.gz LNRPDURCBOCHTN-SNVBAGLBSA-N 0 0 238.306 3.526 20 0 BHADRN CCC[C@H](CC)NC(=O)Nc1ccccc1F ZINC000195238178 259600777 /nfs/dbraw/zinc/60/07/77/259600777.db2.gz LNRPDURCBOCHTN-JTQLQIEISA-N 0 0 238.306 3.526 20 0 BHADRN CCCCCCC(=O)Nc1ccc(COC)cc1 ZINC000195239987 644370202 /nfs/dbraw/zinc/37/02/02/644370202.db2.gz LLSOVJKHLVDJBV-UHFFFAOYSA-N 0 0 249.354 3.742 20 0 BHADRN CCC(C)(CC)C(=O)Nc1ccc(COC)cc1 ZINC000195243916 634355624 /nfs/dbraw/zinc/35/56/24/634355624.db2.gz BTVPCPQNGATGEO-UHFFFAOYSA-N 0 0 249.354 3.598 20 0 BHADRN CCC(CC)NC(=O)c1cccc(Cl)c1C ZINC000195248680 388702901 /nfs/dbraw/zinc/70/29/01/388702901.db2.gz NCYIMTLSDVCMFS-UHFFFAOYSA-N 0 0 239.746 3.567 20 0 BHADRN CCC(C)(C)NC(=O)c1cccc(Cl)c1C ZINC000195255297 259601359 /nfs/dbraw/zinc/60/13/59/259601359.db2.gz NVAMGKGZGORJEB-UHFFFAOYSA-N 0 0 239.746 3.567 20 0 BHADRN CCC[C@@H](C)CC(=O)NC1(C)CCCCC1 ZINC000195259116 388702196 /nfs/dbraw/zinc/70/21/96/388702196.db2.gz KOZXJMOLZHUCHE-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H](C)CC(=O)NC1(C)CCCCC1 ZINC000195259126 388702260 /nfs/dbraw/zinc/70/22/60/388702260.db2.gz KOZXJMOLZHUCHE-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC(CCC)SCC(=O)N[C@@H](C)CC ZINC000195262543 388703832 /nfs/dbraw/zinc/70/38/32/388703832.db2.gz IZGKBNYXESVLOQ-NSHDSACASA-N 0 0 245.432 3.603 20 0 BHADRN CCCC(CCC)SCC(=O)N[C@H](C)CC ZINC000195262548 259601465 /nfs/dbraw/zinc/60/14/65/259601465.db2.gz IZGKBNYXESVLOQ-LLVKDONJSA-N 0 0 245.432 3.603 20 0 BHADRN CCCC(CCC)SCC(=O)c1ccc[nH]1 ZINC000195262617 259601410 /nfs/dbraw/zinc/60/14/10/259601410.db2.gz WBILKHQRMDEEAC-UHFFFAOYSA-N 0 0 239.384 3.899 20 0 BHADRN CCCC(CCC)SCc1cnn(C)c1 ZINC000195262728 388703491 /nfs/dbraw/zinc/70/34/91/388703491.db2.gz YQHCJVRXIOOLMY-UHFFFAOYSA-N 0 0 226.389 3.622 20 0 BHADRN CCCCCSC[C@H](O)c1ccccc1 ZINC000195272136 644374574 /nfs/dbraw/zinc/37/45/74/644374574.db2.gz VWTLPJXZHDJYTK-ZDUSSCGKSA-N 0 0 224.369 3.643 20 0 BHADRN CCCCCSC[C@@H](O)c1ccccc1 ZINC000195272150 644374868 /nfs/dbraw/zinc/37/48/68/644374868.db2.gz VWTLPJXZHDJYTK-CYBMUJFWSA-N 0 0 224.369 3.643 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@@H](CC)CCC ZINC000195272316 262776663 /nfs/dbraw/zinc/77/66/63/262776663.db2.gz MWNPOFHTIQSHIB-NEPJUHHUSA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H](CC)CCC ZINC000195272326 388703233 /nfs/dbraw/zinc/70/32/33/388703233.db2.gz MWNPOFHTIQSHIB-RYUDHWBXSA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H](CC)CCC ZINC000195272337 388703308 /nfs/dbraw/zinc/70/33/08/388703308.db2.gz MWNPOFHTIQSHIB-VXGBXAGGSA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@@H](CC)NC(=O)C[C@@H](C)CCC ZINC000195272350 388703332 /nfs/dbraw/zinc/70/33/32/388703332.db2.gz MWNPOFHTIQSHIB-NWDGAFQWSA-N 0 0 213.365 3.508 20 0 BHADRN CSCCCCCCNc1ncc(C)s1 ZINC000195274331 644374604 /nfs/dbraw/zinc/37/46/04/644374604.db2.gz ZRQWETOTSHYDFX-UHFFFAOYSA-N 0 0 244.429 3.787 20 0 BHADRN CCC[C@@H](CC)NC(=O)N1CCCCCCC1 ZINC000195283543 644373669 /nfs/dbraw/zinc/37/36/69/644373669.db2.gz HGQRPKXGSYRWBU-CYBMUJFWSA-N 0 0 240.391 3.541 20 0 BHADRN CCC[C@H](CC)NC(=O)N1CCCCCCC1 ZINC000195283554 644374310 /nfs/dbraw/zinc/37/43/10/644374310.db2.gz HGQRPKXGSYRWBU-ZDUSSCGKSA-N 0 0 240.391 3.541 20 0 BHADRN Cc1ccc(C(=O)N(C)C2CCCCCCC2)o1 ZINC000195290685 634428249 /nfs/dbraw/zinc/42/82/49/634428249.db2.gz IYXUZMCOTAGLJW-UHFFFAOYSA-N 0 0 249.354 3.773 20 0 BHADRN CC[C@H](c1ccccc1)N(C)Cc1cscn1 ZINC000195308234 388704208 /nfs/dbraw/zinc/70/42/08/388704208.db2.gz PXSUQFPTCDNRBY-CQSZACIVSA-N 0 0 246.379 3.726 20 0 BHADRN Fc1cccnc1NCc1sccc1Cl ZINC000195311599 388159090 /nfs/dbraw/zinc/15/90/90/388159090.db2.gz VPUYUNFHOWBURX-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN Fc1cccnc1NCc1cc(Cl)cs1 ZINC000195312511 388158799 /nfs/dbraw/zinc/15/87/99/388158799.db2.gz DRKUAULBPIDXET-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN CCCCN(C)C(=O)c1cccc(Cl)c1C ZINC000195333942 385465931 /nfs/dbraw/zinc/46/59/31/385465931.db2.gz IPBKJAKWWFHROW-UHFFFAOYSA-N 0 0 239.746 3.521 20 0 BHADRN CC[C@@H](C)N(C)C(=O)c1cccc(Cl)c1C ZINC000195344490 388705064 /nfs/dbraw/zinc/70/50/64/388705064.db2.gz VURNBRAONFRYTF-SECBINFHSA-N 0 0 239.746 3.519 20 0 BHADRN CC[C@H](C)N(C)C(=O)c1cccc(Cl)c1C ZINC000195344499 388705917 /nfs/dbraw/zinc/70/59/17/388705917.db2.gz VURNBRAONFRYTF-VIFPVBQESA-N 0 0 239.746 3.519 20 0 BHADRN CC(C)CSCc1cc(-c2ccco2)on1 ZINC000195344697 388705745 /nfs/dbraw/zinc/70/57/45/388705745.db2.gz GWKTZAJTANBRFM-UHFFFAOYSA-N 0 0 237.324 3.824 20 0 BHADRN CCC[C@@H](CC)NC(=O)Nc1ccccc1C ZINC000195356153 388706428 /nfs/dbraw/zinc/70/64/28/388706428.db2.gz LOCLLFKHGYPUKU-GFCCVEGCSA-N 0 0 234.343 3.695 20 0 BHADRN CCC[C@H](CC)NC(=O)Nc1ccccc1C ZINC000195356158 388706747 /nfs/dbraw/zinc/70/67/47/388706747.db2.gz LOCLLFKHGYPUKU-LBPRGKRZSA-N 0 0 234.343 3.695 20 0 BHADRN CCC[C@@H](CC)NC(=O)Nc1cccc(F)c1 ZINC000195356406 259603527 /nfs/dbraw/zinc/60/35/27/259603527.db2.gz DDGRCJGOGNJDGD-LLVKDONJSA-N 0 0 238.306 3.526 20 0 BHADRN CCC[C@H](CC)NC(=O)Nc1cccc(F)c1 ZINC000195356411 388706668 /nfs/dbraw/zinc/70/66/68/388706668.db2.gz DDGRCJGOGNJDGD-NSHDSACASA-N 0 0 238.306 3.526 20 0 BHADRN CCC[C@@H](CC)NC(=O)Nc1ccccc1CC ZINC000195358072 388706221 /nfs/dbraw/zinc/70/62/21/388706221.db2.gz AMCFNBVRWWTWLX-CYBMUJFWSA-N 0 0 248.370 3.949 20 0 BHADRN CCC[C@H](CC)NC(=O)Nc1ccccc1CC ZINC000195358080 388706290 /nfs/dbraw/zinc/70/62/90/388706290.db2.gz AMCFNBVRWWTWLX-ZDUSSCGKSA-N 0 0 248.370 3.949 20 0 BHADRN CCN(C(=O)c1cccc(Cl)c1C)C(C)C ZINC000195369563 385467682 /nfs/dbraw/zinc/46/76/82/385467682.db2.gz VQGIRJHYAAUBCJ-UHFFFAOYSA-N 0 0 239.746 3.519 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccc2scnc2c1 ZINC000195384729 644386551 /nfs/dbraw/zinc/38/65/51/644386551.db2.gz DERCGCLRGDNFDP-RUDMXATFSA-N 0 0 246.335 3.591 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000195386419 644385702 /nfs/dbraw/zinc/38/57/02/644385702.db2.gz DJIXHHVMKJCLJD-BJMVGYQFSA-N 0 0 242.322 3.771 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc2scnc2c1 ZINC000195386532 367357243 /nfs/dbraw/zinc/35/72/43/367357243.db2.gz NJSSCWMPMSEAPI-SECBINFHSA-N 0 0 248.351 3.671 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc2scnc2c1 ZINC000195386537 367357466 /nfs/dbraw/zinc/35/74/66/367357466.db2.gz NJSSCWMPMSEAPI-VIFPVBQESA-N 0 0 248.351 3.671 20 0 BHADRN CCC(CC)C(=O)Nc1ccc2scnc2c1 ZINC000195386591 259604280 /nfs/dbraw/zinc/60/42/80/259604280.db2.gz DVPIDWXXVPZFHI-UHFFFAOYSA-N 0 0 248.351 3.671 20 0 BHADRN O=C(Nc1cccc(-c2cccs2)c1)C1CC1 ZINC000195388842 259604218 /nfs/dbraw/zinc/60/42/18/259604218.db2.gz XFNQTMPKLCWHIS-UHFFFAOYSA-N 0 0 243.331 3.764 20 0 BHADRN Cc1ccsc1/C=C1\C(=O)Oc2ccccc21 ZINC000195392610 644385586 /nfs/dbraw/zinc/38/55/86/644385586.db2.gz ZSRAVRUQPJYQAO-FLIBITNWSA-N 0 0 242.299 3.516 20 0 BHADRN CCC[C@@H](CC)NC(=O)N(CC)[C@@H](C)C(C)C ZINC000195394797 411211297 /nfs/dbraw/zinc/21/12/97/411211297.db2.gz ZFAFVOPDBKKNFK-QWHCGFSZSA-N 0 0 242.407 3.641 20 0 BHADRN CCC[C@H](CC)NC(=O)N(CC)[C@@H](C)C(C)C ZINC000195394802 411211487 /nfs/dbraw/zinc/21/14/87/411211487.db2.gz ZFAFVOPDBKKNFK-STQMWFEESA-N 0 0 242.407 3.641 20 0 BHADRN CCC[C@@H](CC)NC(=O)N(CC)[C@H](C)C(C)C ZINC000195394810 259604562 /nfs/dbraw/zinc/60/45/62/259604562.db2.gz ZFAFVOPDBKKNFK-CHWSQXEVSA-N 0 0 242.407 3.641 20 0 BHADRN CCC[C@H](CC)NC(=O)N(CC)[C@H](C)C(C)C ZINC000195394813 411211646 /nfs/dbraw/zinc/21/16/46/411211646.db2.gz ZFAFVOPDBKKNFK-OLZOCXBDSA-N 0 0 242.407 3.641 20 0 BHADRN CCC[C@@H](CC)NC(=O)N1CCCC[C@@H]1CC ZINC000195396879 411211374 /nfs/dbraw/zinc/21/13/74/411211374.db2.gz KFMXUNUDHYCSHJ-OLZOCXBDSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@H](CC)NC(=O)N1CCCC[C@@H]1CC ZINC000195396884 259604611 /nfs/dbraw/zinc/60/46/11/259604611.db2.gz KFMXUNUDHYCSHJ-STQMWFEESA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@@H](CC)NC(=O)N1CCCC[C@H]1CC ZINC000195396890 259399335 /nfs/dbraw/zinc/39/93/35/259399335.db2.gz KFMXUNUDHYCSHJ-CHWSQXEVSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@H](CC)NC(=O)N1CCCC[C@H]1CC ZINC000195396898 411211791 /nfs/dbraw/zinc/21/17/91/411211791.db2.gz KFMXUNUDHYCSHJ-QWHCGFSZSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@@H](CC)NC(=O)N(C)C1CCCCC1 ZINC000195396906 411211923 /nfs/dbraw/zinc/21/19/23/411211923.db2.gz DKBUMNPPVFZISQ-GFCCVEGCSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@H](CC)NC(=O)N(C)C1CCCCC1 ZINC000195396911 411211852 /nfs/dbraw/zinc/21/18/52/411211852.db2.gz DKBUMNPPVFZISQ-LBPRGKRZSA-N 0 0 240.391 3.539 20 0 BHADRN CCCCCC(=O)Nc1ccc2c(c1)CCCO2 ZINC000195419503 259605533 /nfs/dbraw/zinc/60/55/33/259605533.db2.gz VQUKMYBAAVOSSF-UHFFFAOYSA-N 0 0 247.338 3.530 20 0 BHADRN CC/C=C(\C)C(=O)Nc1cccc(C(F)F)c1 ZINC000195423684 644388509 /nfs/dbraw/zinc/38/85/09/644388509.db2.gz PPUNIKRMVMLFCP-WEVVVXLNSA-N 0 0 239.265 3.919 20 0 BHADRN C/C=C/C=C/C(=O)Nc1cccc(C(F)F)c1 ZINC000195423733 388708818 /nfs/dbraw/zinc/70/88/18/388708818.db2.gz GSHGVUMIOLMPLW-CRBCFSCISA-N 0 0 237.249 3.695 20 0 BHADRN CC(C)=CC(=O)Nc1cccc(C(F)F)c1 ZINC000195423741 644388304 /nfs/dbraw/zinc/38/83/04/644388304.db2.gz CHHLKBFTLXEBTL-UHFFFAOYSA-N 0 0 225.238 3.529 20 0 BHADRN CC[C@@H](C)C(=O)Nc1cccc(C(F)F)c1 ZINC000195424103 388708705 /nfs/dbraw/zinc/70/87/05/388708705.db2.gz WHHUOEALYAGUFY-MRVPVSSYSA-N 0 0 227.254 3.609 20 0 BHADRN CC[C@H](C)C(=O)Nc1cccc(C(F)F)c1 ZINC000195424109 388708666 /nfs/dbraw/zinc/70/86/66/388708666.db2.gz WHHUOEALYAGUFY-QMMMGPOBSA-N 0 0 227.254 3.609 20 0 BHADRN CC(C)CCC(=O)Nc1cccc(C(F)F)c1 ZINC000195426541 388708486 /nfs/dbraw/zinc/70/84/86/388708486.db2.gz ACSRODJMEIPWDG-UHFFFAOYSA-N 0 0 241.281 3.999 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1cccc(C(F)F)c1 ZINC000195428295 388708136 /nfs/dbraw/zinc/70/81/36/388708136.db2.gz KKDHDIZSNHSFIE-SECBINFHSA-N 0 0 241.281 3.999 20 0 BHADRN CCC[C@H](C)C(=O)Nc1cccc(C(F)F)c1 ZINC000195428300 388708143 /nfs/dbraw/zinc/70/81/43/388708143.db2.gz KKDHDIZSNHSFIE-VIFPVBQESA-N 0 0 241.281 3.999 20 0 BHADRN CCC(CC)C(=O)Nc1cccc(C(F)F)c1 ZINC000195428605 388708738 /nfs/dbraw/zinc/70/87/38/388708738.db2.gz BLKHJTJQJBTZDX-UHFFFAOYSA-N 0 0 241.281 3.999 20 0 BHADRN O=C(Nc1cccc(C(F)F)c1)C1CCCC1 ZINC000195428732 367359574 /nfs/dbraw/zinc/35/95/74/367359574.db2.gz VRZASMKQBMFTKT-UHFFFAOYSA-N 0 0 239.265 3.753 20 0 BHADRN CC(C)(C)CC(=O)Nc1cccc(C(F)F)c1 ZINC000195428939 388708293 /nfs/dbraw/zinc/70/82/93/388708293.db2.gz ICECPBSEHPZYDF-UHFFFAOYSA-N 0 0 241.281 3.999 20 0 BHADRN O=C(Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000195429075 388708528 /nfs/dbraw/zinc/70/85/28/388708528.db2.gz IFYQYEBASREBTO-UHFFFAOYSA-N 0 0 247.244 3.877 20 0 BHADRN CC(C)CC(=O)Nc1cccc(C(F)F)c1 ZINC000195429088 259605563 /nfs/dbraw/zinc/60/55/63/259605563.db2.gz KTYBQXQGTDIHBL-UHFFFAOYSA-N 0 0 227.254 3.609 20 0 BHADRN CC(C)(C)C(=O)Nc1cccc(C(F)F)c1 ZINC000195429410 367359765 /nfs/dbraw/zinc/35/97/65/367359765.db2.gz VOTDKUFPMASGQE-UHFFFAOYSA-N 0 0 227.254 3.609 20 0 BHADRN CCCCC(=O)Nc1cccc(C(F)F)c1 ZINC000195429479 259605481 /nfs/dbraw/zinc/60/54/81/259605481.db2.gz TVLWOWGBMZMLPO-UHFFFAOYSA-N 0 0 227.254 3.753 20 0 BHADRN Cc1ccc(CNc2ccccn2)cc1Cl ZINC000195438130 388164182 /nfs/dbraw/zinc/16/41/82/388164182.db2.gz YFVVXIWPZGPTJK-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN CCCC(CCC)SCc1ncnn1CC ZINC000195439362 388163904 /nfs/dbraw/zinc/16/39/04/388163904.db2.gz KBECSQZGUKBHAK-UHFFFAOYSA-N 0 0 241.404 3.500 20 0 BHADRN Cc1c(N[C@@H](C)C2CC2)cnn1C1CCCC1 ZINC000195455251 388164703 /nfs/dbraw/zinc/16/47/03/388164703.db2.gz IFRCBASFMDOGDY-JTQLQIEISA-N 0 0 233.359 3.517 20 0 BHADRN Cc1c(N[C@H](C)C2CC2)cnn1C1CCCC1 ZINC000195455258 388164980 /nfs/dbraw/zinc/16/49/80/388164980.db2.gz IFRCBASFMDOGDY-SNVBAGLBSA-N 0 0 233.359 3.517 20 0 BHADRN Cc1c(NCC(C)(C)C)cnn1C1CCCC1 ZINC000195455940 388164522 /nfs/dbraw/zinc/16/45/22/388164522.db2.gz WZHMBELKPHNPHV-UHFFFAOYSA-N 0 0 235.375 3.765 20 0 BHADRN Cc1c(NCc2ccco2)cnn1C1CCCC1 ZINC000195456011 385470115 /nfs/dbraw/zinc/47/01/15/385470115.db2.gz VUGCYYQYHQMGDA-UHFFFAOYSA-N 0 0 245.326 3.512 20 0 BHADRN Cc1c(NC2CCCC2)cnn1C1CCCC1 ZINC000195456246 256783265 /nfs/dbraw/zinc/78/32/65/256783265.db2.gz QXAJRUKNCUUIDI-UHFFFAOYSA-N 0 0 233.359 3.661 20 0 BHADRN CC[C@@H](C)CNc1cnn(C2CCCC2)c1C ZINC000195456947 388164386 /nfs/dbraw/zinc/16/43/86/388164386.db2.gz DDYPZNBULPKBGO-LLVKDONJSA-N 0 0 235.375 3.765 20 0 BHADRN CC[C@H](C)CNc1cnn(C2CCCC2)c1C ZINC000195456950 256783326 /nfs/dbraw/zinc/78/33/26/256783326.db2.gz DDYPZNBULPKBGO-NSHDSACASA-N 0 0 235.375 3.765 20 0 BHADRN COCc1ccc(NCc2ccc(C)s2)cc1 ZINC000195461753 644393506 /nfs/dbraw/zinc/39/35/06/644393506.db2.gz ZQIQQJUIHJOWJH-UHFFFAOYSA-N 0 0 247.363 3.815 20 0 BHADRN COCc1ccc(NC2CCC(C)CC2)cc1 ZINC000195462429 634362194 /nfs/dbraw/zinc/36/21/94/634362194.db2.gz JHQAUOFCMBUJPP-UHFFFAOYSA-N 0 0 233.355 3.824 20 0 BHADRN CCC[C@@H](C)CNc1ccc(COC)cc1 ZINC000195462699 634363201 /nfs/dbraw/zinc/36/32/01/634363201.db2.gz NUNSASSRRLOKMW-GFCCVEGCSA-N 0 0 221.344 3.681 20 0 BHADRN CCC[C@H](C)CNc1ccc(COC)cc1 ZINC000195462700 634363366 /nfs/dbraw/zinc/36/33/66/634363366.db2.gz NUNSASSRRLOKMW-LBPRGKRZSA-N 0 0 221.344 3.681 20 0 BHADRN COCc1ccc(NCc2ccsc2)cc1 ZINC000195462738 634363327 /nfs/dbraw/zinc/36/33/27/634363327.db2.gz ICHBZISRRNYAER-UHFFFAOYSA-N 0 0 233.336 3.507 20 0 BHADRN CCc1ccc(CNc2ccc(COC)cc2)o1 ZINC000195463235 644393379 /nfs/dbraw/zinc/39/33/79/644393379.db2.gz DNHLCQNAGYBCOK-UHFFFAOYSA-N 0 0 245.322 3.601 20 0 BHADRN COCc1ccc(NC[C@H]2CC=CCC2)cc1 ZINC000195463268 634362912 /nfs/dbraw/zinc/36/29/12/634362912.db2.gz ZFVDCCAGQVQESE-ZDUSSCGKSA-N 0 0 231.339 3.601 20 0 BHADRN COCc1ccc(NC[C@@H]2CC=CCC2)cc1 ZINC000195463274 634362552 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LVGYPFQFAGOHMK-CYBMUJFWSA-N 0 0 242.407 3.643 20 0 BHADRN CCCCC[C@H](C)NC(=O)N(CC)CC(C)C ZINC000195616727 644395956 /nfs/dbraw/zinc/39/59/56/644395956.db2.gz LVGYPFQFAGOHMK-ZDUSSCGKSA-N 0 0 242.407 3.643 20 0 BHADRN Cc1ccc(CCCC(=O)OC2CCCC2)cc1 ZINC000195620649 644394922 /nfs/dbraw/zinc/39/49/22/644394922.db2.gz ULJLHVMBSNSIRO-UHFFFAOYSA-N 0 0 246.350 3.804 20 0 BHADRN CCCCCCOC(=O)Cc1ccc(C)s1 ZINC000195652900 644395810 /nfs/dbraw/zinc/39/58/10/644395810.db2.gz CUHURSPVDSCLHC-UHFFFAOYSA-N 0 0 240.368 3.723 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)/C=C/c1cccs1 ZINC000195653123 644396684 /nfs/dbraw/zinc/39/66/84/644396684.db2.gz LZKCAEUYFDGLGX-XUIVZRPNSA-N 0 0 238.352 3.739 20 0 BHADRN CC(C)C[C@H](C)OC(=O)/C=C/c1cccs1 ZINC000195653124 644396478 /nfs/dbraw/zinc/39/64/78/644396478.db2.gz LZKCAEUYFDGLGX-MLRMMBSGSA-N 0 0 238.352 3.739 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)NCC(C)(C)C ZINC000195660201 259611877 /nfs/dbraw/zinc/61/18/77/259611877.db2.gz CKLSNRWAVJUPEU-GFCCVEGCSA-N 0 0 242.407 3.548 20 0 BHADRN CCCC[C@H](CC)CNC(=O)NCC(C)(C)C ZINC000195660202 388718341 /nfs/dbraw/zinc/71/83/41/388718341.db2.gz CKLSNRWAVJUPEU-LBPRGKRZSA-N 0 0 242.407 3.548 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)NCC(C)(C)C ZINC000195660416 388717952 /nfs/dbraw/zinc/71/79/52/388717952.db2.gz PHRLVMPBIVEQAE-GFCCVEGCSA-N 0 0 242.407 3.547 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)NCC(C)(C)C ZINC000195660418 388718064 /nfs/dbraw/zinc/71/80/64/388718064.db2.gz PHRLVMPBIVEQAE-LBPRGKRZSA-N 0 0 242.407 3.547 20 0 BHADRN Cc1ccc(SCCOC(C)(C)C)cc1 ZINC000195661058 367373595 /nfs/dbraw/zinc/37/35/95/367373595.db2.gz KCXCVOUWZJXKSV-UHFFFAOYSA-N 0 0 224.369 3.902 20 0 BHADRN C[C@@H]1CN(Cc2cccs2)c2ccccc21 ZINC000195672657 367374879 /nfs/dbraw/zinc/37/48/79/367374879.db2.gz BHZSTXGEEJLXRM-LLVKDONJSA-N 0 0 229.348 3.872 20 0 BHADRN C[C@H]1CN(Cc2cccs2)c2ccccc21 ZINC000195672658 367374844 /nfs/dbraw/zinc/37/48/44/367374844.db2.gz BHZSTXGEEJLXRM-NSHDSACASA-N 0 0 229.348 3.872 20 0 BHADRN Cc1cccc2c1N(Cc1cccs1)CC2 ZINC000195673052 367374802 /nfs/dbraw/zinc/37/48/02/367374802.db2.gz WRIQRPUNXOKXAH-UHFFFAOYSA-N 0 0 229.348 3.619 20 0 BHADRN Fc1ccc(F)c(CSCc2ccco2)c1 ZINC000195675946 367374313 /nfs/dbraw/zinc/37/43/13/367374313.db2.gz KIEAYFOBANWXEA-UHFFFAOYSA-N 0 0 240.274 3.991 20 0 BHADRN CCCCCC(=O)OCc1cc(C)sc1C ZINC000195681871 644398437 /nfs/dbraw/zinc/39/84/37/644398437.db2.gz HSRWBXAEFFTJAR-UHFFFAOYSA-N 0 0 240.368 3.988 20 0 BHADRN Cc1cc(COC(=O)C2CCCC2)c(C)s1 ZINC000195681888 644398706 /nfs/dbraw/zinc/39/87/06/644398706.db2.gz MINUUAPOXRJJIX-UHFFFAOYSA-N 0 0 238.352 3.598 20 0 BHADRN CCCCC(=O)OCc1cc(C)sc1C ZINC000195681895 644398467 /nfs/dbraw/zinc/39/84/67/644398467.db2.gz HUPGBNOWHAUOCN-UHFFFAOYSA-N 0 0 226.341 3.598 20 0 BHADRN Cc1cc(COC(=O)CC(C)(C)C)c(C)s1 ZINC000195681924 644398903 /nfs/dbraw/zinc/39/89/03/644398903.db2.gz HKNXOCCYFLYIAH-UHFFFAOYSA-N 0 0 240.368 3.844 20 0 BHADRN Cc1cc(COC(=O)c2ccccc2)c(C)s1 ZINC000195681942 644397531 /nfs/dbraw/zinc/39/75/31/644397531.db2.gz OBTIGMCGSCQIIE-UHFFFAOYSA-N 0 0 246.331 3.722 20 0 BHADRN Cc1cc(COC(=O)CCC(C)C)c(C)s1 ZINC000195682059 644398643 /nfs/dbraw/zinc/39/86/43/644398643.db2.gz ZTLOYZVHYRVQFX-UHFFFAOYSA-N 0 0 240.368 3.844 20 0 BHADRN CCC(CC)C(=O)OCc1cc(C)sc1C ZINC000195682326 644397145 /nfs/dbraw/zinc/39/71/45/644397145.db2.gz HDRQNJJBYRFIAL-UHFFFAOYSA-N 0 0 240.368 3.844 20 0 BHADRN CCC[C@@H](C)C(=O)OCc1cc(C)sc1C ZINC000195682327 644398627 /nfs/dbraw/zinc/39/86/27/644398627.db2.gz NLMGOONWQPYTEJ-SECBINFHSA-N 0 0 240.368 3.844 20 0 BHADRN CCC[C@H](C)C(=O)OCc1cc(C)sc1C ZINC000195682328 644398145 /nfs/dbraw/zinc/39/81/45/644398145.db2.gz NLMGOONWQPYTEJ-VIFPVBQESA-N 0 0 240.368 3.844 20 0 BHADRN CCCCCOC(=O)c1sccc1CC ZINC000195682492 644397441 /nfs/dbraw/zinc/39/74/41/644397441.db2.gz AYSXDAZPNHHVBL-UHFFFAOYSA-N 0 0 226.341 3.658 20 0 BHADRN Cc1ccc(CC(=O)OCCC(C)(C)C)s1 ZINC000195682577 644398450 /nfs/dbraw/zinc/39/84/50/644398450.db2.gz OJCRUYOVCBGURK-UHFFFAOYSA-N 0 0 240.368 3.578 20 0 BHADRN CSCCN(C)c1cccc(C(C)C)c1 ZINC000195686857 367376243 /nfs/dbraw/zinc/37/62/43/367376243.db2.gz IEXSSSNBKIIVMB-UHFFFAOYSA-N 0 0 223.385 3.609 20 0 BHADRN C/C(=C\C(=O)OC1CCCCCC1)C1CC1 ZINC000195690514 644399117 /nfs/dbraw/zinc/39/91/17/644399117.db2.gz CGRFSXFZSYETQE-ZHACJKMWSA-N 0 0 222.328 3.609 20 0 BHADRN CCCCCOC(=O)c1ccc2ncccc2c1 ZINC000195720020 644398148 /nfs/dbraw/zinc/39/81/48/644398148.db2.gz MFPMEBQOSSYASG-UHFFFAOYSA-N 0 0 243.306 3.582 20 0 BHADRN CC(C)(CC(=O)OC1CCCC1)c1ccccc1 ZINC000195720767 644397588 /nfs/dbraw/zinc/39/75/88/644397588.db2.gz PZFMHYJMVOAARA-UHFFFAOYSA-N 0 0 246.350 3.840 20 0 BHADRN Cc1ccccc1SCCOC(C)(C)C ZINC000195720830 353809469 /nfs/dbraw/zinc/80/94/69/353809469.db2.gz UPJHPNIZBXKWNV-UHFFFAOYSA-N 0 0 224.369 3.902 20 0 BHADRN Cc1cccc(SCCOC(C)(C)C)c1 ZINC000195720862 367378772 /nfs/dbraw/zinc/37/87/72/367378772.db2.gz ZYSNJZSBTAZVNU-UHFFFAOYSA-N 0 0 224.369 3.902 20 0 BHADRN Cc1ccc(N(C)CCOC(C)(C)C)c(C)c1 ZINC000195725064 636070734 /nfs/dbraw/zinc/07/07/34/636070734.db2.gz JZKGEVZZAKCQPF-UHFFFAOYSA-N 0 0 235.371 3.555 20 0 BHADRN CCN(CCOC(C)(C)C)c1ccccc1C ZINC000195725065 367378583 /nfs/dbraw/zinc/37/85/83/367378583.db2.gz RTFGXVHAXXAGNM-UHFFFAOYSA-N 0 0 235.371 3.636 20 0 BHADRN Cc1ccc(C)c(N(C)CCOC(C)(C)C)c1 ZINC000195725069 388720831 /nfs/dbraw/zinc/72/08/31/388720831.db2.gz ISMUUEITSAQPPU-UHFFFAOYSA-N 0 0 235.371 3.555 20 0 BHADRN Cc1cccc(N(C)CCOC(C)(C)C)c1C ZINC000195725070 388720801 /nfs/dbraw/zinc/72/08/01/388720801.db2.gz IVQHUVGSUJJQPW-UHFFFAOYSA-N 0 0 235.371 3.555 20 0 BHADRN Cc1cc(C)cc(N(C)CCOC(C)(C)C)c1 ZINC000195725071 388721006 /nfs/dbraw/zinc/72/10/06/388721006.db2.gz DKMIZBFOEIUURQ-UHFFFAOYSA-N 0 0 235.371 3.555 20 0 BHADRN CCCCC[C@@H](C)NC(=O)N[C@@H](CC)CCC ZINC000195725818 644398164 /nfs/dbraw/zinc/39/81/64/644398164.db2.gz FGDAXMBTGUFRNN-OLZOCXBDSA-N 0 0 242.407 3.833 20 0 BHADRN CCCCC[C@H](C)NC(=O)N[C@@H](CC)CCC ZINC000195725819 644398822 /nfs/dbraw/zinc/39/88/22/644398822.db2.gz FGDAXMBTGUFRNN-STQMWFEESA-N 0 0 242.407 3.833 20 0 BHADRN CCCCC[C@@H](C)NC(=O)N[C@H](CC)CCC ZINC000195725820 644398154 /nfs/dbraw/zinc/39/81/54/644398154.db2.gz FGDAXMBTGUFRNN-CHWSQXEVSA-N 0 0 242.407 3.833 20 0 BHADRN CCCCC[C@H](C)NC(=O)N[C@H](CC)CCC ZINC000195725821 644398675 /nfs/dbraw/zinc/39/86/75/644398675.db2.gz FGDAXMBTGUFRNN-QWHCGFSZSA-N 0 0 242.407 3.833 20 0 BHADRN CCC[C@@H](CC)NC(=O)N[C@@H](C)CCC(C)C ZINC000195725822 388720237 /nfs/dbraw/zinc/72/02/37/388720237.db2.gz AVYCLKVRXSZFSW-QWHCGFSZSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](CC)NC(=O)N[C@@H](C)CCC(C)C ZINC000195725823 388721040 /nfs/dbraw/zinc/72/10/40/388721040.db2.gz AVYCLKVRXSZFSW-STQMWFEESA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@@H](CC)NC(=O)N[C@H](C)CCC(C)C ZINC000195725824 259613287 /nfs/dbraw/zinc/61/32/87/259613287.db2.gz AVYCLKVRXSZFSW-CHWSQXEVSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](CC)NC(=O)N[C@H](C)CCC(C)C ZINC000195725825 388720390 /nfs/dbraw/zinc/72/03/90/388720390.db2.gz AVYCLKVRXSZFSW-OLZOCXBDSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@@H](CC)NC(=O)NC1CCCCCC1 ZINC000195726066 388720852 /nfs/dbraw/zinc/72/08/52/388720852.db2.gz BPDOETVBQNZYMV-GFCCVEGCSA-N 0 0 240.391 3.587 20 0 BHADRN CCC[C@H](CC)NC(=O)NC1CCCCCC1 ZINC000195726067 388720345 /nfs/dbraw/zinc/72/03/45/388720345.db2.gz BPDOETVBQNZYMV-LBPRGKRZSA-N 0 0 240.391 3.587 20 0 BHADRN CC(C)(C)OCCOc1ccc(F)c(Cl)c1 ZINC000195731077 386627046 /nfs/dbraw/zinc/62/70/46/386627046.db2.gz OWCJJESRDBEOPJ-UHFFFAOYSA-N 0 0 246.709 3.673 20 0 BHADRN Cc1cc(Cl)ccc1OCCOC(C)(C)C ZINC000195731080 386617914 /nfs/dbraw/zinc/61/79/14/386617914.db2.gz AEGOTQAUIAVDDX-UHFFFAOYSA-N 0 0 242.746 3.842 20 0 BHADRN Cc1cc(OCCOC(C)(C)C)ccc1Cl ZINC000195731081 386619149 /nfs/dbraw/zinc/61/91/49/386619149.db2.gz ADNXTLKUQGGGNX-UHFFFAOYSA-N 0 0 242.746 3.842 20 0 BHADRN CCCN(C)c1ccnc2cc(Cl)ccc21 ZINC000195732213 345290063 /nfs/dbraw/zinc/29/00/63/345290063.db2.gz OHHYYRWAJUWZDN-UHFFFAOYSA-N 0 0 234.730 3.734 20 0 BHADRN CCC[NH+](CCC)Cc1ccc(F)cc1F ZINC000195732516 388720753 /nfs/dbraw/zinc/72/07/53/388720753.db2.gz AYWKCJYAMGQVOR-UHFFFAOYSA-N 0 0 227.298 3.587 20 0 BHADRN CCCC(CCC)S[C@@H](C(=O)OC)C(C)C ZINC000195735055 388721038 /nfs/dbraw/zinc/72/10/38/388721038.db2.gz ZQBLVVWRFOKJDT-GFCCVEGCSA-N 0 0 246.416 3.886 20 0 BHADRN CCCC(CCC)S[C@H](C(=O)OC)C(C)C ZINC000195735056 388720785 /nfs/dbraw/zinc/72/07/85/388720785.db2.gz ZQBLVVWRFOKJDT-LBPRGKRZSA-N 0 0 246.416 3.886 20 0 BHADRN CCOCC[N@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000195736691 345304707 /nfs/dbraw/zinc/30/47/07/345304707.db2.gz GXRQUURTYCYWLQ-AWEZNQCLSA-N 0 0 249.398 3.839 20 0 BHADRN CCOCC[N@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000195736692 345304721 /nfs/dbraw/zinc/30/47/21/345304721.db2.gz GXRQUURTYCYWLQ-CQSZACIVSA-N 0 0 249.398 3.839 20 0 BHADRN c1ccc(CSCC2CCCCC2)nc1 ZINC000195737030 259613406 /nfs/dbraw/zinc/61/34/06/259613406.db2.gz OBYHLXQIFAVQSZ-UHFFFAOYSA-N 0 0 221.369 3.895 20 0 BHADRN c1cncc(CSCC2CCCCC2)c1 ZINC000195737049 183496306 /nfs/dbraw/zinc/49/63/06/183496306.db2.gz FQGFVJVLHIAVFB-UHFFFAOYSA-N 0 0 221.369 3.895 20 0 BHADRN c1ccc(CCSCC2CCCCC2)nc1 ZINC000195737075 388720259 /nfs/dbraw/zinc/72/02/59/388720259.db2.gz PMKDORMFYGIORI-UHFFFAOYSA-N 0 0 235.396 3.938 20 0 BHADRN CCOC(=O)CCCSCC1CCCCC1 ZINC000195737086 353809465 /nfs/dbraw/zinc/80/94/65/353809465.db2.gz TZSLHVWLLZEHHI-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CCCCOC(=O)CSCC1CCCCC1 ZINC000195737097 644399687 /nfs/dbraw/zinc/39/96/87/644399687.db2.gz KKIBKRWCQQHXIL-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CC(C)(C)OC(=O)CSCC1CCCCC1 ZINC000195737100 259613241 /nfs/dbraw/zinc/61/32/41/259613241.db2.gz DESYCMKUYPUFRZ-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN O=C(OC/C=C\c1ccccc1)C1CCCCC1 ZINC000195758151 644400538 /nfs/dbraw/zinc/40/05/38/644400538.db2.gz XLPDLIIZOULLSY-YFHOEESVSA-N 0 0 244.334 3.823 20 0 BHADRN O=C(OC/C=C\Cl)c1cccc2ccccc21 ZINC000195791226 643639518 /nfs/dbraw/zinc/63/95/18/643639518.db2.gz OAUXYJNCYQYCJW-WTKPLQERSA-N 0 0 246.693 3.749 20 0 BHADRN CC(C)=CCSc1nc2ccccc2[nH]1 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ZINC000223583035 384792015 /nfs/dbraw/zinc/79/20/15/384792015.db2.gz OJPSFSDMTOEGSN-UHFFFAOYSA-N 0 0 224.735 3.504 20 0 BHADRN Clc1cc(N2CCCCCCC2)ccn1 ZINC000223587523 384790235 /nfs/dbraw/zinc/79/02/35/384790235.db2.gz CHIAOZSXHLHHKX-UHFFFAOYSA-N 0 0 224.735 3.506 20 0 BHADRN Cc1ccccc1CN(C)c1ccnc(Cl)c1 ZINC000223589145 179272078 /nfs/dbraw/zinc/27/20/78/179272078.db2.gz RKGLYYVHCUFFDY-UHFFFAOYSA-N 0 0 246.741 3.680 20 0 BHADRN Cc1ccccc1[C@@H](C)NCC(F)(F)C(F)F ZINC000223596556 631731232 /nfs/dbraw/zinc/73/12/32/631731232.db2.gz BSVWKQKOBMEIOT-SECBINFHSA-N 0 0 249.251 3.546 20 0 BHADRN Cc1ncsc1CCOc1cccc(C)c1C ZINC000223603401 388655581 /nfs/dbraw/zinc/65/55/81/388655581.db2.gz ADLQKFAVRSQYIV-UHFFFAOYSA-N 0 0 247.363 3.690 20 0 BHADRN Cc1ccc([C@@H](C)NCC(F)(F)C(F)F)cc1 ZINC000223623526 635371258 /nfs/dbraw/zinc/37/12/58/635371258.db2.gz PEVGMECUYHKSBS-SECBINFHSA-N 0 0 249.251 3.546 20 0 BHADRN Cc1ccc([C@H](C)NCC(F)(F)C(F)F)cc1 ZINC000223623587 635371193 /nfs/dbraw/zinc/37/11/93/635371193.db2.gz PEVGMECUYHKSBS-VIFPVBQESA-N 0 0 249.251 3.546 20 0 BHADRN CC[C@@H](NCC(F)(F)C(F)F)c1ccccc1 ZINC000223625101 635371633 /nfs/dbraw/zinc/37/16/33/635371633.db2.gz YAVKPWLMIMGWEI-SNVBAGLBSA-N 0 0 249.251 3.628 20 0 BHADRN CC[C@H](NCC(F)(F)C(F)F)c1ccccc1 ZINC000223625154 635371032 /nfs/dbraw/zinc/37/10/32/635371032.db2.gz YAVKPWLMIMGWEI-JTQLQIEISA-N 0 0 249.251 3.628 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)NC(C)C)c1 ZINC000223648675 487788838 /nfs/dbraw/zinc/78/88/38/487788838.db2.gz FVHHGUFHRYWINJ-LLVKDONJSA-N 0 0 234.343 3.730 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)NC(C)C)c1 ZINC000223648730 487788748 /nfs/dbraw/zinc/78/87/48/487788748.db2.gz FVHHGUFHRYWINJ-NSHDSACASA-N 0 0 234.343 3.730 20 0 BHADRN CCN(Cc1cc(O)cc(F)c1)c1ccccc1 ZINC000223751544 134339284 /nfs/dbraw/zinc/33/92/84/134339284.db2.gz OXJAGWCXUDVHJD-UHFFFAOYSA-N 0 0 245.297 3.558 20 0 BHADRN CC[C@H](Nc1ccc(OC)cn1)c1ccccc1 ZINC000223798266 491140070 /nfs/dbraw/zinc/14/00/70/491140070.db2.gz IAEOARREVHVWEB-AWEZNQCLSA-N 0 0 242.322 3.653 20 0 BHADRN CC[C@@H](Nc1ccc(OC)cn1)c1ccccc1 ZINC000223798304 491140058 /nfs/dbraw/zinc/14/00/58/491140058.db2.gz IAEOARREVHVWEB-CQSZACIVSA-N 0 0 242.322 3.653 20 0 BHADRN CC(C)=CCN[C@@H](c1ccccc1)C(F)(F)F ZINC000223881063 388658732 /nfs/dbraw/zinc/65/87/32/388658732.db2.gz BFBDKFACLBOYNW-LBPRGKRZSA-N 0 0 243.272 3.846 20 0 BHADRN CC(C)=CCN[C@H](c1ccccc1)C(F)(F)F ZINC000223881108 388659203 /nfs/dbraw/zinc/65/92/03/388659203.db2.gz BFBDKFACLBOYNW-GFCCVEGCSA-N 0 0 243.272 3.846 20 0 BHADRN CC(C)CCOc1ccc(-c2cc[nH]n2)cc1 ZINC000223910793 645904425 /nfs/dbraw/zinc/90/44/25/645904425.db2.gz XCYJXQYBDYXRHR-UHFFFAOYSA-N 0 0 230.311 3.502 20 0 BHADRN CSCSc1ccccc1Cl ZINC000224024308 592549233 /nfs/dbraw/zinc/54/92/33/592549233.db2.gz JSVPKRVWSFSURY-UHFFFAOYSA-N 0 0 204.747 3.753 20 0 BHADRN CSCSc1cccc(Cl)c1 ZINC000224024378 583182771 /nfs/dbraw/zinc/18/27/71/583182771.db2.gz RDPXKLPBLMSMEB-UHFFFAOYSA-N 0 0 204.747 3.753 20 0 BHADRN C/C(=C/C=C\c1ccccc1)c1cnccn1 ZINC000224116788 488015803 /nfs/dbraw/zinc/01/58/03/488015803.db2.gz COGAASQMUFWNAY-ZLLSQDJZSA-N 0 0 222.291 3.593 20 0 BHADRN CCOC(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000224139329 345749298 /nfs/dbraw/zinc/74/92/98/345749298.db2.gz XXRQKSAGNMHZNL-UHFFFAOYSA-N 0 0 249.354 3.787 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cc(Cl)ccc1F ZINC000224214989 640605696 /nfs/dbraw/zinc/60/56/96/640605696.db2.gz ACHILECQJITUKB-MRVPVSSYSA-N 0 0 244.693 3.825 20 0 BHADRN CCC[C@H](C)OC(=O)c1cc(Cl)ccc1F ZINC000224215044 640606622 /nfs/dbraw/zinc/60/66/22/640606622.db2.gz ACHILECQJITUKB-QMMMGPOBSA-N 0 0 244.693 3.825 20 0 BHADRN CSCc1ccc(Br)cc1C ZINC000224259700 345749236 /nfs/dbraw/zinc/74/92/36/345749236.db2.gz IYFUMMZVRMJAGG-UHFFFAOYSA-N 0 0 231.158 3.621 20 0 BHADRN Cc1ccc(Cl)cc1NC[C@@H]1CCSC1 ZINC000224272338 388662090 /nfs/dbraw/zinc/66/20/90/388662090.db2.gz HIJPGYPVVLAJJG-JTQLQIEISA-N 0 0 241.787 3.813 20 0 BHADRN Cc1ccc(Cl)cc1NC[C@H]1CCSC1 ZINC000224272386 388662381 /nfs/dbraw/zinc/66/23/81/388662381.db2.gz HIJPGYPVVLAJJG-SNVBAGLBSA-N 0 0 241.787 3.813 20 0 BHADRN CSc1cccc(NC[C@@H]2CCSC2)c1 ZINC000224274432 363190397 /nfs/dbraw/zinc/19/03/97/363190397.db2.gz VKLOFVONXYRGRC-JTQLQIEISA-N 0 0 239.409 3.574 20 0 BHADRN CSc1cccc(NC[C@H]2CCSC2)c1 ZINC000224274482 134345700 /nfs/dbraw/zinc/34/57/00/134345700.db2.gz VKLOFVONXYRGRC-SNVBAGLBSA-N 0 0 239.409 3.574 20 0 BHADRN Cc1ccc(NC[C@@H]2CCSC2)cc1Cl ZINC000224274542 259346487 /nfs/dbraw/zinc/34/64/87/259346487.db2.gz UEBRRAFFBSNTBD-JTQLQIEISA-N 0 0 241.787 3.813 20 0 BHADRN Cc1ccc(NC[C@H]2CCSC2)cc1Cl ZINC000224274589 388661684 /nfs/dbraw/zinc/66/16/84/388661684.db2.gz UEBRRAFFBSNTBD-SNVBAGLBSA-N 0 0 241.787 3.813 20 0 BHADRN Cc1c(Cl)cccc1NC[C@@H]1CCSC1 ZINC000224277688 388662028 /nfs/dbraw/zinc/66/20/28/388662028.db2.gz TXZKFLWJHUWMLA-JTQLQIEISA-N 0 0 241.787 3.813 20 0 BHADRN Cc1c(Cl)cccc1NC[C@H]1CCSC1 ZINC000224277736 259573600 /nfs/dbraw/zinc/57/36/00/259573600.db2.gz TXZKFLWJHUWMLA-SNVBAGLBSA-N 0 0 241.787 3.813 20 0 BHADRN c1cc2c(c(NC[C@@H]3CCSC3)c1)CCCC2 ZINC000224278500 388662187 /nfs/dbraw/zinc/66/21/87/388662187.db2.gz YLJLRMGGPHMAQO-LBPRGKRZSA-N 0 0 247.407 3.730 20 0 BHADRN c1cc2c(c(NC[C@H]3CCSC3)c1)CCCC2 ZINC000224278545 388661719 /nfs/dbraw/zinc/66/17/19/388661719.db2.gz YLJLRMGGPHMAQO-GFCCVEGCSA-N 0 0 247.407 3.730 20 0 BHADRN CSc1ccc(NC[C@@H]2CCSC2)cc1 ZINC000224278818 187981769 /nfs/dbraw/zinc/98/17/69/187981769.db2.gz DWYPYHYTTJXUMC-JTQLQIEISA-N 0 0 239.409 3.574 20 0 BHADRN CSc1ccc(NC[C@H]2CCSC2)cc1 ZINC000224278862 188328041 /nfs/dbraw/zinc/32/80/41/188328041.db2.gz DWYPYHYTTJXUMC-SNVBAGLBSA-N 0 0 239.409 3.574 20 0 BHADRN CC(C)c1ccccc1NC[C@@H]1CCSC1 ZINC000224279529 388662153 /nfs/dbraw/zinc/66/21/53/388662153.db2.gz GKQHMOUIPTVZRR-LBPRGKRZSA-N 0 0 235.396 3.975 20 0 BHADRN CC(C)c1ccccc1NC[C@H]1CCSC1 ZINC000224279575 388661882 /nfs/dbraw/zinc/66/18/82/388661882.db2.gz GKQHMOUIPTVZRR-GFCCVEGCSA-N 0 0 235.396 3.975 20 0 BHADRN CC(C)c1ccc(NC[C@@H]2CCSC2)cc1 ZINC000224282122 388662134 /nfs/dbraw/zinc/66/21/34/388662134.db2.gz HFAKLRSYAHENSE-LBPRGKRZSA-N 0 0 235.396 3.975 20 0 BHADRN CC(C)c1ccc(NC[C@H]2CCSC2)cc1 ZINC000224282175 388662369 /nfs/dbraw/zinc/66/23/69/388662369.db2.gz HFAKLRSYAHENSE-GFCCVEGCSA-N 0 0 235.396 3.975 20 0 BHADRN Clc1cccc(NC[C@@H]2CCSC2)c1 ZINC000224285621 384345764 /nfs/dbraw/zinc/34/57/64/384345764.db2.gz SXTQOSCMIXORGC-VIFPVBQESA-N 0 0 227.760 3.505 20 0 BHADRN Clc1cccc(NC[C@H]2CCSC2)c1 ZINC000224285671 384347247 /nfs/dbraw/zinc/34/72/47/384347247.db2.gz SXTQOSCMIXORGC-SECBINFHSA-N 0 0 227.760 3.505 20 0 BHADRN Clc1ccc(NC[C@@H]2CCSC2)cc1 ZINC000224285828 180583138 /nfs/dbraw/zinc/58/31/38/180583138.db2.gz MKBOMQJFBHPUIS-VIFPVBQESA-N 0 0 227.760 3.505 20 0 BHADRN Clc1ccc(NC[C@H]2CCSC2)cc1 ZINC000224285872 384347298 /nfs/dbraw/zinc/34/72/98/384347298.db2.gz MKBOMQJFBHPUIS-SECBINFHSA-N 0 0 227.760 3.505 20 0 BHADRN Clc1ccccc1NC[C@@H]1CCSC1 ZINC000224286593 358994627 /nfs/dbraw/zinc/99/46/27/358994627.db2.gz FNDDWVDVQMGFHD-VIFPVBQESA-N 0 0 227.760 3.505 20 0 BHADRN Clc1ccccc1NC[C@H]1CCSC1 ZINC000224286643 134346131 /nfs/dbraw/zinc/34/61/31/134346131.db2.gz FNDDWVDVQMGFHD-SECBINFHSA-N 0 0 227.760 3.505 20 0 BHADRN Cc1cc(Cl)ccc1NC[C@@H]1CCSC1 ZINC000224292060 388661956 /nfs/dbraw/zinc/66/19/56/388661956.db2.gz MJUARWAXCKPGLD-JTQLQIEISA-N 0 0 241.787 3.813 20 0 BHADRN Cc1cc(Cl)ccc1NC[C@H]1CCSC1 ZINC000224292112 388663189 /nfs/dbraw/zinc/66/31/89/388663189.db2.gz MJUARWAXCKPGLD-SNVBAGLBSA-N 0 0 241.787 3.813 20 0 BHADRN CC(C)c1cccc(NC[C@@H]2CCSC2)c1 ZINC000224299737 388662677 /nfs/dbraw/zinc/66/26/77/388662677.db2.gz QODIGUHJPRQDBW-LBPRGKRZSA-N 0 0 235.396 3.975 20 0 BHADRN CC(C)c1cccc(NC[C@H]2CCSC2)c1 ZINC000224299791 388663221 /nfs/dbraw/zinc/66/32/21/388663221.db2.gz QODIGUHJPRQDBW-GFCCVEGCSA-N 0 0 235.396 3.975 20 0 BHADRN CCCc1ccc(NC[C@@H]2CCSC2)cc1 ZINC000224299949 640610764 /nfs/dbraw/zinc/61/07/64/640610764.db2.gz WXIYBSUIFSKZMD-ZDUSSCGKSA-N 0 0 235.396 3.804 20 0 BHADRN CCCc1ccc(NC[C@H]2CCSC2)cc1 ZINC000224299999 635388438 /nfs/dbraw/zinc/38/84/38/635388438.db2.gz WXIYBSUIFSKZMD-CYBMUJFWSA-N 0 0 235.396 3.804 20 0 BHADRN Fc1ccc(NC[C@@H]2CCSC2)cc1Cl ZINC000224309396 259574056 /nfs/dbraw/zinc/57/40/56/259574056.db2.gz LUOOIEVCGZUPJJ-QMMMGPOBSA-N 0 0 245.750 3.644 20 0 BHADRN Fc1ccc(NC[C@H]2CCSC2)cc1Cl ZINC000224309446 259573713 /nfs/dbraw/zinc/57/37/13/259573713.db2.gz LUOOIEVCGZUPJJ-MRVPVSSYSA-N 0 0 245.750 3.644 20 0 BHADRN Cc1ccc(NC[C@@H]2CCSC2)c(Cl)c1 ZINC000224309785 388663344 /nfs/dbraw/zinc/66/33/44/388663344.db2.gz STNRDRRLTHDRDF-JTQLQIEISA-N 0 0 241.787 3.813 20 0 BHADRN Cc1ccc(NC[C@H]2CCSC2)c(Cl)c1 ZINC000224309833 388663403 /nfs/dbraw/zinc/66/34/03/388663403.db2.gz STNRDRRLTHDRDF-SNVBAGLBSA-N 0 0 241.787 3.813 20 0 BHADRN CSCCSc1ccc(Cl)cc1 ZINC000224328524 640613441 /nfs/dbraw/zinc/61/34/41/640613441.db2.gz OGYIFRZQGYRTKL-UHFFFAOYSA-N 0 0 218.774 3.795 20 0 BHADRN CSc1ccccc1NC[C@@H]1CCSC1 ZINC000224330068 175583411 /nfs/dbraw/zinc/58/34/11/175583411.db2.gz FYGVIOZGBWODIW-JTQLQIEISA-N 0 0 239.409 3.574 20 0 BHADRN CSc1ccccc1NC[C@H]1CCSC1 ZINC000224330114 388662925 /nfs/dbraw/zinc/66/29/25/388662925.db2.gz FYGVIOZGBWODIW-SNVBAGLBSA-N 0 0 239.409 3.574 20 0 BHADRN CCCc1ccccc1NC[C@@H]1CCSC1 ZINC000224334746 388663515 /nfs/dbraw/zinc/66/35/15/388663515.db2.gz ZNSMNAYSZRTVPW-LBPRGKRZSA-N 0 0 235.396 3.804 20 0 BHADRN CCCc1ccccc1NC[C@H]1CCSC1 ZINC000224334788 388663301 /nfs/dbraw/zinc/66/33/01/388663301.db2.gz ZNSMNAYSZRTVPW-GFCCVEGCSA-N 0 0 235.396 3.804 20 0 BHADRN Fc1cc(NC[C@@H]2CCSC2)ccc1Cl ZINC000224351355 259573920 /nfs/dbraw/zinc/57/39/20/259573920.db2.gz XPPFYBXXPLPQOV-QMMMGPOBSA-N 0 0 245.750 3.644 20 0 BHADRN Fc1cc(NC[C@H]2CCSC2)ccc1Cl ZINC000224351406 259574003 /nfs/dbraw/zinc/57/40/03/259574003.db2.gz XPPFYBXXPLPQOV-MRVPVSSYSA-N 0 0 245.750 3.644 20 0 BHADRN Cc1cc(C)c(NC[C@@H]2CCSC2)c(C)c1 ZINC000224382127 134346247 /nfs/dbraw/zinc/34/62/47/134346247.db2.gz YBZKYCZDUSIFJW-ZDUSSCGKSA-N 0 0 235.396 3.777 20 0 BHADRN Cc1cc(C)c(NC[C@H]2CCSC2)c(C)c1 ZINC000224382171 134346236 /nfs/dbraw/zinc/34/62/36/134346236.db2.gz YBZKYCZDUSIFJW-CYBMUJFWSA-N 0 0 235.396 3.777 20 0 BHADRN C[C@H]([NH2+]CC1(C)CC1)c1ccccc1Cl ZINC000224399933 388663956 /nfs/dbraw/zinc/66/39/56/388663956.db2.gz XCVMVVINMHNISG-JTQLQIEISA-N 0 0 223.747 3.791 20 0 BHADRN Clc1cnc(NCCCC2CCCC2)nc1 ZINC000224405008 384404293 /nfs/dbraw/zinc/40/42/93/384404293.db2.gz QBMVDSLNPAFWCP-UHFFFAOYSA-N 0 0 239.750 3.512 20 0 BHADRN CC1(CNc2nc3ccccc3s2)CC1 ZINC000224428665 535159914 /nfs/dbraw/zinc/15/99/14/535159914.db2.gz PHXKJQTWGWCWCZ-UHFFFAOYSA-N 0 0 218.325 3.508 20 0 BHADRN Cc1sc2ncnc(NCC3(C)CC3)c2c1C ZINC000224429110 134347055 /nfs/dbraw/zinc/34/70/55/134347055.db2.gz YFYDIMIQMQUEFH-UHFFFAOYSA-N 0 0 247.367 3.520 20 0 BHADRN CC1(CNc2nccc3sccc32)CC1 ZINC000224431897 358233340 /nfs/dbraw/zinc/23/33/40/358233340.db2.gz KYEFFMOTGWTQBW-UHFFFAOYSA-N 0 0 218.325 3.508 20 0 BHADRN CCOC(=O)c1ccccc1OC1CCCCC1 ZINC000224579333 345749277 /nfs/dbraw/zinc/74/92/77/345749277.db2.gz GAIIOBXTWZGCJZ-UHFFFAOYSA-N 0 0 248.322 3.575 20 0 BHADRN CC(C)C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000224584743 640626454 /nfs/dbraw/zinc/62/64/54/640626454.db2.gz CYCKVGLEOOOXAK-UHFFFAOYSA-N 0 0 234.339 3.683 20 0 BHADRN CCCCC(=O)O[C@@H](C)c1ccc(C)cc1 ZINC000224714903 640631202 /nfs/dbraw/zinc/63/12/02/640631202.db2.gz NFEBBOYIZATKRL-LBPRGKRZSA-N 0 0 220.312 3.789 20 0 BHADRN CCCCC(=O)O[C@H](CC)c1ccccc1 ZINC000224715235 631907535 /nfs/dbraw/zinc/90/75/35/631907535.db2.gz AEECYZNIYMRVEA-CYBMUJFWSA-N 0 0 220.312 3.871 20 0 BHADRN Clc1cccc(OCC2CC2)c1Cl ZINC000224752708 344757985 /nfs/dbraw/zinc/75/79/85/344757985.db2.gz BBNQYPDYKMKRIH-UHFFFAOYSA-N 0 0 217.095 3.782 20 0 BHADRN CCCCNc1nc(C(C)(C)C)cs1 ZINC000224765959 344803174 /nfs/dbraw/zinc/80/31/74/344803174.db2.gz CQURKQAFNVQOIV-UHFFFAOYSA-N 0 0 212.362 3.653 20 0 BHADRN FC(F)(F)c1ccn(CCCC2CCCC2)n1 ZINC000224790845 345750060 /nfs/dbraw/zinc/75/00/60/345750060.db2.gz 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CC[C@H](Sc1cccc[n+]1[O-])c1ccccc1 ZINC000225105537 640663657 /nfs/dbraw/zinc/66/36/57/640663657.db2.gz BAXIGLIGRDHGPP-ZDUSSCGKSA-N 0 0 245.347 3.563 20 0 BHADRN FC(F)(F)c1cccc(NC/C=C/Cl)c1 ZINC000225228568 640675161 /nfs/dbraw/zinc/67/51/61/640675161.db2.gz ZSDQWQMFYDPQKP-GORDUTHDSA-N 0 0 235.636 3.870 20 0 BHADRN Cc1c(Cl)cccc1NC/C=C/Cl ZINC000225228675 369118730 /nfs/dbraw/zinc/11/87/30/369118730.db2.gz SIKRHGZTPBQUAN-ZZXKWVIFSA-N 0 0 216.111 3.813 20 0 BHADRN Cc1ccc(NC/C=C/Cl)c(Cl)c1 ZINC000225228718 345134685 /nfs/dbraw/zinc/13/46/85/345134685.db2.gz MANJXHKKVRUNBC-GORDUTHDSA-N 0 0 216.111 3.813 20 0 BHADRN Fc1ccc(NC/C=C/Cl)c(Cl)c1 ZINC000225228934 369118594 /nfs/dbraw/zinc/11/85/94/369118594.db2.gz ZJZHBUAWJAATHK-DAFODLJHSA-N 0 0 220.074 3.644 20 0 BHADRN Fc1ccc(NC/C=C/Cl)cc1Cl ZINC000225228984 369118994 /nfs/dbraw/zinc/11/89/94/369118994.db2.gz YZMKSYWGTACBJX-DAFODLJHSA-N 0 0 220.074 3.644 20 0 BHADRN Fc1cc(Cl)ccc1NC/C=C/Cl ZINC000225229031 369119048 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/nfs/dbraw/zinc/13/51/76/345135176.db2.gz DFXRDXIEYFRNKC-DAFODLJHSA-N 0 0 220.074 3.644 20 0 BHADRN Fc1ccc(Cl)c(NC/C=C/Cl)c1 ZINC000225232026 345135141 /nfs/dbraw/zinc/13/51/41/345135141.db2.gz YVPVTNHQMJXXAH-DAFODLJHSA-N 0 0 220.074 3.644 20 0 BHADRN Cc1cccc(Cl)c1NC/C=C/Cl ZINC000225232366 398285215 /nfs/dbraw/zinc/28/52/15/398285215.db2.gz QLOHJAQYNRGHKO-ZZXKWVIFSA-N 0 0 216.111 3.813 20 0 BHADRN Cc1ccc(Cl)c(NC/C=C/Cl)c1 ZINC000225232790 345135193 /nfs/dbraw/zinc/13/51/93/345135193.db2.gz AWHFEYADYMGADW-GORDUTHDSA-N 0 0 216.111 3.813 20 0 BHADRN Fc1cc(Cl)cc(NC/C=C/Cl)c1 ZINC000225232848 345135205 /nfs/dbraw/zinc/13/52/05/345135205.db2.gz FNKWZVRMZFHRHB-OWOJBTEDSA-N 0 0 220.074 3.644 20 0 BHADRN Cc1nn(C)c(Cl)c1CSCCC(C)C ZINC000225245446 640677562 /nfs/dbraw/zinc/67/75/62/640677562.db2.gz OFOFMFZYVBQDSU-UHFFFAOYSA-N 0 0 246.807 3.661 20 0 BHADRN CCC[C@@H](C)Oc1ccc2c(c1)CCCC2=O ZINC000225304067 324197281 /nfs/dbraw/zinc/19/72/81/324197281.db2.gz LSZRSPIXEKNWQW-LLVKDONJSA-N 0 0 232.323 3.773 20 0 BHADRN CCC[C@H](C)Oc1ccc2c(c1)CCCC2=O ZINC000225304103 323038497 /nfs/dbraw/zinc/03/84/97/323038497.db2.gz LSZRSPIXEKNWQW-NSHDSACASA-N 0 0 232.323 3.773 20 0 BHADRN Cc1ccccc1NCc1ncc(Cl)s1 ZINC000225318142 363204497 /nfs/dbraw/zinc/20/44/97/363204497.db2.gz LYSFYPWKAVQFNK-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1cccc(NCc2ncc(Cl)s2)c1 ZINC000225320455 179152060 /nfs/dbraw/zinc/15/20/60/179152060.db2.gz YUOBLRJZYPHLRD-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Fc1ccc(NCc2ncc(Cl)s2)cc1 ZINC000225320581 134354561 /nfs/dbraw/zinc/35/45/61/134354561.db2.gz ZYYHNGYWGBBAHK-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN Cc1ccc(NCc2ncc(Cl)s2)cc1 ZINC000225320625 388678207 /nfs/dbraw/zinc/67/82/07/388678207.db2.gz NMTJFQOLTSQHRP-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Fc1cccc(NCc2ncc(Cl)s2)c1 ZINC000225320725 134354608 /nfs/dbraw/zinc/35/46/08/134354608.db2.gz UPDJKXQEZJIBPV-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN Cc1cc2ccccc2nc1NCC1(C)CC1 ZINC000225360423 388721523 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CSc1ccccc1C(=O)Oc1ccccc1 ZINC000225692182 635415021 /nfs/dbraw/zinc/41/50/21/635415021.db2.gz XICAQXKWXRYZGO-UHFFFAOYSA-N 0 0 244.315 3.628 20 0 BHADRN Clc1ccc(CCNc2nccs2)s1 ZINC000225734086 371572423 /nfs/dbraw/zinc/57/24/23/371572423.db2.gz CJHCNQHIVZBCJH-UHFFFAOYSA-N 0 0 244.772 3.513 20 0 BHADRN c1nc2ccc(NCc3ccccc3)cc2s1 ZINC000225767882 388843938 /nfs/dbraw/zinc/84/39/38/388843938.db2.gz UDSGWJLBXFNIRA-UHFFFAOYSA-N 0 0 240.331 3.908 20 0 BHADRN CC1(CNc2nc3ccc(F)cc3s2)CC1 ZINC000225819007 538114084 /nfs/dbraw/zinc/11/40/84/538114084.db2.gz NVPGDVGXWIDZCV-UHFFFAOYSA-N 0 0 236.315 3.647 20 0 BHADRN Cc1cncc(NCc2ccc3cnccc3c2)c1 ZINC000225819297 538114104 /nfs/dbraw/zinc/11/41/04/538114104.db2.gz GEWJPQGDWPSETN-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CC[C@@H](Nc1ccc(OC)cn1)c1cccs1 ZINC000225833312 566330944 /nfs/dbraw/zinc/33/09/44/566330944.db2.gz LHFDTJJHYOMPMO-LLVKDONJSA-N 0 0 248.351 3.715 20 0 BHADRN CC[C@H](Nc1ccc(OC)cn1)c1cccs1 ZINC000225833329 491096871 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BHADRN CCc1nn(C)cc1N[C@@H](C)c1ccc(C)s1 ZINC000225874797 172043444 /nfs/dbraw/zinc/04/34/44/172043444.db2.gz LHMQFWVXXXHWAR-JTQLQIEISA-N 0 0 249.383 3.526 20 0 BHADRN CCc1nn(C)cc1N[C@H](C)c1ccc(C)s1 ZINC000225874814 172044306 /nfs/dbraw/zinc/04/43/06/172044306.db2.gz LHMQFWVXXXHWAR-SNVBAGLBSA-N 0 0 249.383 3.526 20 0 BHADRN CCc1nn(C)cc1N[C@@H](C)c1sccc1C ZINC000225876266 172044681 /nfs/dbraw/zinc/04/46/81/172044681.db2.gz CVMOZYJQFKESDC-JTQLQIEISA-N 0 0 249.383 3.526 20 0 BHADRN CCc1nn(C)cc1N[C@H](C)c1sccc1C ZINC000225876282 172044026 /nfs/dbraw/zinc/04/40/26/172044026.db2.gz CVMOZYJQFKESDC-SNVBAGLBSA-N 0 0 249.383 3.526 20 0 BHADRN CCc1ccc(CNc2ncccc2C)s1 ZINC000225878356 384668219 /nfs/dbraw/zinc/66/82/19/384668219.db2.gz GDBKNWMYDHZFEL-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCc1nn(C)cc1N[C@@H](CC)C[C@@H](C)CC ZINC000225879225 259593936 /nfs/dbraw/zinc/59/39/36/259593936.db2.gz UEEQOMYAUJLFII-RYUDHWBXSA-N 0 0 237.391 3.609 20 0 BHADRN CCc1nn(C)cc1N[C@H](CC)C[C@@H](C)CC ZINC000225879243 388692065 /nfs/dbraw/zinc/69/20/65/388692065.db2.gz UEEQOMYAUJLFII-NWDGAFQWSA-N 0 0 237.391 3.609 20 0 BHADRN CCc1nn(C)cc1N[C@@H](CC)C[C@H](C)CC ZINC000225879265 388692020 /nfs/dbraw/zinc/69/20/20/388692020.db2.gz UEEQOMYAUJLFII-NEPJUHHUSA-N 0 0 237.391 3.609 20 0 BHADRN CCc1nn(C)cc1N[C@H](CC)C[C@H](C)CC ZINC000225879278 388691979 /nfs/dbraw/zinc/69/19/79/388691979.db2.gz UEEQOMYAUJLFII-VXGBXAGGSA-N 0 0 237.391 3.609 20 0 BHADRN Cc1cc(Cl)ccc1OCCCCCCO ZINC000225879817 640712751 /nfs/dbraw/zinc/71/27/51/640712751.db2.gz JVECDDIDDJAMSY-UHFFFAOYSA-N 0 0 242.746 3.580 20 0 BHADRN Cc1cc(OCCCCCCO)ccc1Cl ZINC000225879839 640713201 /nfs/dbraw/zinc/71/32/01/640713201.db2.gz CWTWELCSDNQXIC-UHFFFAOYSA-N 0 0 242.746 3.580 20 0 BHADRN CC(C)c1ccc(OCCCCCCO)cc1 ZINC000225880161 640712295 /nfs/dbraw/zinc/71/22/95/640712295.db2.gz JNEISIOMNPBAJK-UHFFFAOYSA-N 0 0 236.355 3.742 20 0 BHADRN CC(C)(C)c1ccccc1NCCCCCCO ZINC000225886197 640714270 /nfs/dbraw/zinc/71/42/70/640714270.db2.gz VHCMPYIMMXAUPL-UHFFFAOYSA-N 0 0 249.398 3.949 20 0 BHADRN CC(C)c1ccc(NCCCCCCO)cc1 ZINC000225886300 635419748 /nfs/dbraw/zinc/41/97/48/635419748.db2.gz BYOOCHUSNJMYBV-UHFFFAOYSA-N 0 0 235.371 3.775 20 0 BHADRN CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000225892880 363210260 /nfs/dbraw/zinc/21/02/60/363210260.db2.gz QMDGIIQLCWRXFV-AWEZNQCLSA-N 0 0 239.309 3.585 20 0 BHADRN CC(C)Sc1c(F)cc(F)cc1F ZINC000225898537 345751362 /nfs/dbraw/zinc/75/13/62/345751362.db2.gz FXUVKWWOJBVJAB-UHFFFAOYSA-N 0 0 206.232 3.604 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H]2CCO[C@@H](C)C2)c1 ZINC000225908333 386227322 /nfs/dbraw/zinc/22/73/22/386227322.db2.gz KAZRJWRGAAGULZ-WDEREUQCSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)c(N[C@H]2CCO[C@@H](C)C2)c1 ZINC000225908353 386227269 /nfs/dbraw/zinc/22/72/69/386227269.db2.gz KAZRJWRGAAGULZ-QWRGUYRKSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H]2CCO[C@H](C)C2)c1 ZINC000225908365 386227348 /nfs/dbraw/zinc/22/73/48/386227348.db2.gz KAZRJWRGAAGULZ-GHMZBOCLSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)c(N[C@H]2CCO[C@H](C)C2)c1 ZINC000225908379 386227300 /nfs/dbraw/zinc/22/73/00/386227300.db2.gz KAZRJWRGAAGULZ-MNOVXSKESA-N 0 0 239.746 3.628 20 0 BHADRN C(=C\c1ccccc1)\CN1CCc2ccccc21 ZINC000225911182 345751382 /nfs/dbraw/zinc/75/13/82/345751382.db2.gz AUXOAMRWYGCMIC-TWGQIWQCSA-N 0 0 235.330 3.763 20 0 BHADRN C(=C/c1ccccc1)\CN1CCc2ccccc21 ZINC000225911193 345751262 /nfs/dbraw/zinc/75/12/62/345751262.db2.gz AUXOAMRWYGCMIC-RMKNXTFCSA-N 0 0 235.330 3.763 20 0 BHADRN Cc1cccc(C(=O)N[C@@H](C)C2CCCCC2)c1 ZINC000225941243 358331934 /nfs/dbraw/zinc/33/19/34/358331934.db2.gz TYEVFNLHSSNFKT-ZDUSSCGKSA-N 0 0 245.366 3.694 20 0 BHADRN Fc1ccc(NCc2ccccc2C2CC2)cn1 ZINC000225943598 640719085 /nfs/dbraw/zinc/71/90/85/640719085.db2.gz UYEQTXJGWLILTJ-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN Cc1cc(CNc2ccc(F)nc2)c(C)s1 ZINC000225943623 640719009 /nfs/dbraw/zinc/71/90/09/640719009.db2.gz ZVEWOGVHZSUFCA-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN CCC[C@@H](CC)Nc1cc(OC)cc(OC)c1 ZINC000225968267 259410149 /nfs/dbraw/zinc/41/01/49/259410149.db2.gz AKIYUOSCTIFQPJ-LLVKDONJSA-N 0 0 237.343 3.694 20 0 BHADRN CCC[C@H](CC)Nc1cc(OC)cc(OC)c1 ZINC000225968280 385784696 /nfs/dbraw/zinc/78/46/96/385784696.db2.gz AKIYUOSCTIFQPJ-NSHDSACASA-N 0 0 237.343 3.694 20 0 BHADRN CCC[C@@H](CC)Nc1ccc(NC(C)=O)c(C)c1 ZINC000225968838 640723517 /nfs/dbraw/zinc/72/35/17/640723517.db2.gz HWRAVTQUHAWCHC-CYBMUJFWSA-N 0 0 248.370 3.944 20 0 BHADRN CCC[C@H](CC)Nc1ccc(NC(C)=O)c(C)c1 ZINC000225968855 711757119 /nfs/dbraw/zinc/75/71/19/711757119.db2.gz HWRAVTQUHAWCHC-ZDUSSCGKSA-N 0 0 248.370 3.944 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H]2CCCOCC2)c1 ZINC000226061733 259453218 /nfs/dbraw/zinc/45/32/18/259453218.db2.gz QMXWCHAYEJDRJA-LLVKDONJSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1ccc(Cl)c(N[C@H]2CCCOCC2)c1 ZINC000226061742 259598507 /nfs/dbraw/zinc/59/85/07/259598507.db2.gz QMXWCHAYEJDRJA-NSHDSACASA-N 0 0 239.746 3.629 20 0 BHADRN CCOC1CC(Nc2cc(C)ccc2Cl)C1 ZINC000226062214 388699062 /nfs/dbraw/zinc/69/90/62/388699062.db2.gz BXFKCBPTORBIQA-UHFFFAOYSA-N 0 0 239.746 3.628 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C)c(C)c1 ZINC000226065824 345750932 /nfs/dbraw/zinc/75/09/32/345750932.db2.gz ZAISLRWSXGMWBH-DZGCQCFKSA-N 0 0 245.366 3.707 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(C)c(C)c1 ZINC000226065833 345751387 /nfs/dbraw/zinc/75/13/87/345751387.db2.gz ZAISLRWSXGMWBH-ZFWWWQNUSA-N 0 0 245.366 3.707 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C)c(C)c1 ZINC000226065846 350398225 /nfs/dbraw/zinc/39/82/25/350398225.db2.gz ZAISLRWSXGMWBH-UKRRQHHQSA-N 0 0 245.366 3.707 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C)c(C)c1 ZINC000226065858 345751250 /nfs/dbraw/zinc/75/12/50/345751250.db2.gz ZAISLRWSXGMWBH-HIFRSBDPSA-N 0 0 245.366 3.707 20 0 BHADRN CCCC[C@@H](CCC)Nc1nccnc1C ZINC000226088774 388700241 /nfs/dbraw/zinc/70/02/41/388700241.db2.gz HEFJXRHLZDDCAP-GFCCVEGCSA-N 0 0 221.348 3.556 20 0 BHADRN CCCC[C@H](CCC)Nc1nccnc1C ZINC000226088786 388700826 /nfs/dbraw/zinc/70/08/26/388700826.db2.gz HEFJXRHLZDDCAP-LBPRGKRZSA-N 0 0 221.348 3.556 20 0 BHADRN C[C@H](CC1CC1)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000226131619 134359402 /nfs/dbraw/zinc/35/94/02/134359402.db2.gz XPHIMFRIHWPSRF-MISXGVKJSA-N 0 0 233.355 3.681 20 0 BHADRN C[C@H](CC1CC1)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000226131628 134359468 /nfs/dbraw/zinc/35/94/68/134359468.db2.gz XPHIMFRIHWPSRF-WDMOLILDSA-N 0 0 233.355 3.681 20 0 BHADRN c1ccc(-c2cccc(OCC3CC3)c2)nc1 ZINC000226136988 490093939 /nfs/dbraw/zinc/09/39/39/490093939.db2.gz NKVWYCIRXLTDPP-UHFFFAOYSA-N 0 0 225.291 3.537 20 0 BHADRN Cc1nnc(NC(CC(C)C)CC(C)C)s1 ZINC000226143872 384980296 /nfs/dbraw/zinc/98/02/96/384980296.db2.gz ORABVDIKLSHIEA-UHFFFAOYSA-N 0 0 241.404 3.719 20 0 BHADRN CSc1ccccc1NCCC(F)(F)F ZINC000226150436 134359406 /nfs/dbraw/zinc/35/94/06/134359406.db2.gz YBSRCVVKCLKUMD-UHFFFAOYSA-N 0 0 235.274 3.773 20 0 BHADRN Fc1ccc(Cl)c(NCCC(F)(F)F)c1 ZINC000226151032 358334974 /nfs/dbraw/zinc/33/49/74/358334974.db2.gz KLNDNHUENNKOBF-UHFFFAOYSA-N 0 0 241.615 3.843 20 0 BHADRN CC(C)c1cc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)ncn1 ZINC000226187785 388709194 /nfs/dbraw/zinc/70/91/94/388709194.db2.gz UZASIDOMRAYWCD-FRRDWIJNSA-N 0 0 247.386 3.837 20 0 BHADRN CC(C)c1cc(N[C@H]2CC[C@@H](C)C[C@@H]2C)ncn1 ZINC000226187793 259606464 /nfs/dbraw/zinc/60/64/64/259606464.db2.gz UZASIDOMRAYWCD-AGIUHOORSA-N 0 0 247.386 3.837 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)c1ccccc1 ZINC000226189162 259606430 /nfs/dbraw/zinc/60/64/30/259606430.db2.gz BNFRYOQPLNUOJE-CQSZACIVSA-N 0 0 233.355 3.775 20 0 BHADRN CCCC[C@H](CCC)NC(=O)c1ccccc1 ZINC000226189176 388709417 /nfs/dbraw/zinc/70/94/17/388709417.db2.gz BNFRYOQPLNUOJE-AWEZNQCLSA-N 0 0 233.355 3.775 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)c1cccs1 ZINC000226189540 259606445 /nfs/dbraw/zinc/60/64/45/259606445.db2.gz XOKIUTBGTVQREB-LLVKDONJSA-N 0 0 239.384 3.837 20 0 BHADRN CCCC[C@H](CCC)NC(=O)c1cccs1 ZINC000226189552 259606393 /nfs/dbraw/zinc/60/63/93/259606393.db2.gz XOKIUTBGTVQREB-NSHDSACASA-N 0 0 239.384 3.837 20 0 BHADRN Cc1ccc(F)c(O[C@@H]2C=CCCC2)c1 ZINC000226212957 387986223 /nfs/dbraw/zinc/98/62/23/387986223.db2.gz MWPZZACVRVOQFA-LLVKDONJSA-N 0 0 206.260 3.622 20 0 BHADRN Cc1ccc(F)c(O[C@H]2C=CCCC2)c1 ZINC000226212968 387987116 /nfs/dbraw/zinc/98/71/16/387987116.db2.gz MWPZZACVRVOQFA-NSHDSACASA-N 0 0 206.260 3.622 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)NC1CCCC1 ZINC000226220324 259607387 /nfs/dbraw/zinc/60/73/87/259607387.db2.gz OYHJEYMIHUHHKL-GFCCVEGCSA-N 0 0 240.391 3.587 20 0 BHADRN CCCC[C@H](CCC)NC(=O)NC1CCCC1 ZINC000226220333 388711620 /nfs/dbraw/zinc/71/16/20/388711620.db2.gz OYHJEYMIHUHHKL-LBPRGKRZSA-N 0 0 240.391 3.587 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)N1CCCCC1 ZINC000226221596 640741424 /nfs/dbraw/zinc/74/14/24/640741424.db2.gz VZSTTZIZUPMAIX-CYBMUJFWSA-N 0 0 240.391 3.541 20 0 BHADRN CCCC[C@H](CCC)NC(=O)N1CCCCC1 ZINC000226221606 640741474 /nfs/dbraw/zinc/74/14/74/640741474.db2.gz VZSTTZIZUPMAIX-ZDUSSCGKSA-N 0 0 240.391 3.541 20 0 BHADRN Cc1ccc(NCc2cnn(C(C)C)c2)cc1C ZINC000226241879 134362244 /nfs/dbraw/zinc/36/22/44/134362244.db2.gz MYCHMCWADKBXBW-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN CCCC[C@@H](CCC)Nc1nccc(C)n1 ZINC000226261567 345223917 /nfs/dbraw/zinc/22/39/17/345223917.db2.gz SCGQZCCCSRHQHK-GFCCVEGCSA-N 0 0 221.348 3.556 20 0 BHADRN CCCC[C@H](CCC)Nc1nccc(C)n1 ZINC000226261576 169002302 /nfs/dbraw/zinc/00/23/02/169002302.db2.gz SCGQZCCCSRHQHK-LBPRGKRZSA-N 0 0 221.348 3.556 20 0 BHADRN CCCC[C@@H](CCC)Nc1nnc(C)s1 ZINC000226261588 363215493 /nfs/dbraw/zinc/21/54/93/363215493.db2.gz KYWJVKHYTXXLOA-SNVBAGLBSA-N 0 0 227.377 3.617 20 0 BHADRN CCCC[C@H](CCC)Nc1nnc(C)s1 ZINC000226261596 169002170 /nfs/dbraw/zinc/00/21/70/169002170.db2.gz KYWJVKHYTXXLOA-JTQLQIEISA-N 0 0 227.377 3.617 20 0 BHADRN CCCC[C@@H](CCC)Nc1ccnc(C)n1 ZINC000226261691 134362587 /nfs/dbraw/zinc/36/25/87/134362587.db2.gz PSPPXAJEMJLFFD-GFCCVEGCSA-N 0 0 221.348 3.556 20 0 BHADRN CCCC[C@H](CCC)Nc1ccnc(C)n1 ZINC000226261698 134362585 /nfs/dbraw/zinc/36/25/85/134362585.db2.gz PSPPXAJEMJLFFD-LBPRGKRZSA-N 0 0 221.348 3.556 20 0 BHADRN CCCC[C@@H](CCC)Nc1cc(C)ncn1 ZINC000226261826 345224231 /nfs/dbraw/zinc/22/42/31/345224231.db2.gz JGHVYOVKXDJRBD-GFCCVEGCSA-N 0 0 221.348 3.556 20 0 BHADRN CCCC[C@H](CCC)Nc1cc(C)ncn1 ZINC000226261835 169002217 /nfs/dbraw/zinc/00/22/17/169002217.db2.gz JGHVYOVKXDJRBD-LBPRGKRZSA-N 0 0 221.348 3.556 20 0 BHADRN CCCC[C@@H](CCC)Nc1nc(C)ns1 ZINC000226262239 363215292 /nfs/dbraw/zinc/21/52/92/363215292.db2.gz KNQIBAHWZXPUNU-SNVBAGLBSA-N 0 0 227.377 3.617 20 0 BHADRN CCCC[C@H](CCC)Nc1nc(C)ns1 ZINC000226262247 169002519 /nfs/dbraw/zinc/00/25/19/169002519.db2.gz KNQIBAHWZXPUNU-JTQLQIEISA-N 0 0 227.377 3.617 20 0 BHADRN CCCCCOC(=O)c1ccc2[nH]ccc2c1 ZINC000226278073 631946384 /nfs/dbraw/zinc/94/63/84/631946384.db2.gz QBAMGKSBPYMYIZ-UHFFFAOYSA-N 0 0 231.295 3.515 20 0 BHADRN Fc1cc(Cl)cc(NC[C@@H]2CCSC2)c1 ZINC000226385437 388716668 /nfs/dbraw/zinc/71/66/68/388716668.db2.gz AHSACHRFUYROOV-QMMMGPOBSA-N 0 0 245.750 3.644 20 0 BHADRN Fc1cc(Cl)cc(NC[C@H]2CCSC2)c1 ZINC000226385442 388716692 /nfs/dbraw/zinc/71/66/92/388716692.db2.gz AHSACHRFUYROOV-MRVPVSSYSA-N 0 0 245.750 3.644 20 0 BHADRN Cc1ccc(Cl)c(NC[C@@H]2CCSC2)c1 ZINC000226386633 388717627 /nfs/dbraw/zinc/71/76/27/388717627.db2.gz IVGZHDCVYTVRFH-JTQLQIEISA-N 0 0 241.787 3.813 20 0 BHADRN Cc1ccc(Cl)c(NC[C@H]2CCSC2)c1 ZINC000226386635 259611555 /nfs/dbraw/zinc/61/15/55/259611555.db2.gz IVGZHDCVYTVRFH-SNVBAGLBSA-N 0 0 241.787 3.813 20 0 BHADRN CC1(C)C[C@@H]1CNc1nc2ccccc2s1 ZINC000226389092 259432211 /nfs/dbraw/zinc/43/22/11/259432211.db2.gz OCEZRZWBXLQFGL-SECBINFHSA-N 0 0 232.352 3.754 20 0 BHADRN CC1(C)C[C@H]1CNc1nc2ccccc2s1 ZINC000226389096 386327036 /nfs/dbraw/zinc/32/70/36/386327036.db2.gz OCEZRZWBXLQFGL-VIFPVBQESA-N 0 0 232.352 3.754 20 0 BHADRN Cc1ccc(OC/C(Cl)=C/Cl)cc1F ZINC000226438249 640765870 /nfs/dbraw/zinc/76/58/70/640765870.db2.gz IKSIZPAQFRCHTG-YVMONPNESA-N 0 0 235.085 3.832 20 0 BHADRN Cc1ccc(F)cc1CNc1cnn(C(C)C)c1 ZINC000226509176 358340975 /nfs/dbraw/zinc/34/09/75/358340975.db2.gz ODZXFZXXGXYTFZ-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN Cc1ccc(NCc2cc(F)ccc2C)c(C)n1 ZINC000226514086 134364033 /nfs/dbraw/zinc/36/40/33/134364033.db2.gz SQTLIQZKVIXIDM-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN CC1(C)C[C@@H]1CNc1cccc(C(F)(F)F)n1 ZINC000226530863 134364416 /nfs/dbraw/zinc/36/44/16/134364416.db2.gz QUBFHJHJBNTANO-MRVPVSSYSA-N 0 0 244.260 3.558 20 0 BHADRN CC1(C)C[C@H]1CNc1cccc(C(F)(F)F)n1 ZINC000226530870 534920096 /nfs/dbraw/zinc/92/00/96/534920096.db2.gz QUBFHJHJBNTANO-QMMMGPOBSA-N 0 0 244.260 3.558 20 0 BHADRN CC1(C)C[C@@H]1CNc1nccc2sccc21 ZINC000226530991 370368566 /nfs/dbraw/zinc/36/85/66/370368566.db2.gz ZRVFDLJBSKRJFC-SECBINFHSA-N 0 0 232.352 3.754 20 0 BHADRN CC1(C)C[C@H]1CNc1nccc2sccc21 ZINC000226530995 370368207 /nfs/dbraw/zinc/36/82/07/370368207.db2.gz ZRVFDLJBSKRJFC-VIFPVBQESA-N 0 0 232.352 3.754 20 0 BHADRN CC1(C)C[C@@H]1CNc1ccc2ccccc2n1 ZINC000226531200 385983976 /nfs/dbraw/zinc/98/39/76/385983976.db2.gz DYIDLOMGKHRUJM-GFCCVEGCSA-N 0 0 226.323 3.693 20 0 BHADRN CC1(C)C[C@H]1CNc1ccc2ccccc2n1 ZINC000226531202 385984854 /nfs/dbraw/zinc/98/48/54/385984854.db2.gz DYIDLOMGKHRUJM-LBPRGKRZSA-N 0 0 226.323 3.693 20 0 BHADRN CC1(C)C[C@@H]1CNc1ncccc1C(F)(F)F ZINC000226531249 134364526 /nfs/dbraw/zinc/36/45/26/134364526.db2.gz FTPMWQPCOLWPMP-MRVPVSSYSA-N 0 0 244.260 3.558 20 0 BHADRN CC1(C)C[C@H]1CNc1ncccc1C(F)(F)F ZINC000226531252 534919456 /nfs/dbraw/zinc/91/94/56/534919456.db2.gz FTPMWQPCOLWPMP-QMMMGPOBSA-N 0 0 244.260 3.558 20 0 BHADRN CC1(C)C[C@@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000226531304 134364466 /nfs/dbraw/zinc/36/44/66/134364466.db2.gz XQUFAICMQQWXTI-SECBINFHSA-N 0 0 244.260 3.558 20 0 BHADRN CC1(C)C[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000226531308 534919779 /nfs/dbraw/zinc/91/97/79/534919779.db2.gz XQUFAICMQQWXTI-VIFPVBQESA-N 0 0 244.260 3.558 20 0 BHADRN CCOC(=O)C[C@H](C)S[C@@H]1CCC[C@@H](C)C1 ZINC000226544356 322869752 /nfs/dbraw/zinc/86/97/52/322869752.db2.gz YCSTWJFGJGZOIZ-GRYCIOLGSA-N 0 0 244.400 3.640 20 0 BHADRN CCOC(=O)C[C@H](C)S[C@H]1CCC[C@@H](C)C1 ZINC000226544367 322870004 /nfs/dbraw/zinc/87/00/04/322870004.db2.gz YCSTWJFGJGZOIZ-WOPDTQHZSA-N 0 0 244.400 3.640 20 0 BHADRN CC[C@@H](C)c1ccc(OCc2ccn(C)n2)cc1 ZINC000226546130 388721488 /nfs/dbraw/zinc/72/14/88/388721488.db2.gz KJRDGZMYAPZSMS-GFCCVEGCSA-N 0 0 244.338 3.513 20 0 BHADRN CC[C@H](C)c1ccc(OCc2ccn(C)n2)cc1 ZINC000226546135 388721522 /nfs/dbraw/zinc/72/15/22/388721522.db2.gz KJRDGZMYAPZSMS-LBPRGKRZSA-N 0 0 244.338 3.513 20 0 BHADRN Cc1nnc(N[C@@H](c2ccccc2)C(C)C)s1 ZINC000226568628 180435911 /nfs/dbraw/zinc/43/59/11/180435911.db2.gz OLEABKNXYXCYDS-GFCCVEGCSA-N 0 0 247.367 3.656 20 0 BHADRN Cc1nnc(N[C@H](c2ccccc2)C(C)C)s1 ZINC000226568634 387950013 /nfs/dbraw/zinc/95/00/13/387950013.db2.gz OLEABKNXYXCYDS-LBPRGKRZSA-N 0 0 247.367 3.656 20 0 BHADRN CSc1ccccc1NCC=C(C)C ZINC000226573551 352419247 /nfs/dbraw/zinc/41/92/47/352419247.db2.gz JCWKMKWSSVLVDF-UHFFFAOYSA-N 0 0 207.342 3.787 20 0 BHADRN COc1ccccc1NCc1cc(C)ccc1F ZINC000226618703 386053130 /nfs/dbraw/zinc/05/31/30/386053130.db2.gz XLUHYHWACQAJTB-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN CCc1ccccc1NCc1cnn(C(C)C)c1 ZINC000226622108 386349008 /nfs/dbraw/zinc/34/90/08/386349008.db2.gz VCRHETGBRFZFAD-UHFFFAOYSA-N 0 0 243.354 3.639 20 0 BHADRN CC1(C)CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000226622824 388570006 /nfs/dbraw/zinc/57/00/06/388570006.db2.gz LAZWWQNGIBRRCC-CYBMUJFWSA-N 0 0 231.339 3.842 20 0 BHADRN CC1(C)CCCC[C@H]1C(=O)Nc1ccccc1 ZINC000226622829 388570031 /nfs/dbraw/zinc/57/00/31/388570031.db2.gz LAZWWQNGIBRRCC-ZDUSSCGKSA-N 0 0 231.339 3.842 20 0 BHADRN CC1(C)CCCC[C@@H]1C(=O)NC1CCCCC1 ZINC000226622839 259516024 /nfs/dbraw/zinc/51/60/24/259516024.db2.gz FWIZQODIFBTDDD-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CCCC[C@H]1C(=O)NC1CCCCC1 ZINC000226622845 388571392 /nfs/dbraw/zinc/57/13/92/388571392.db2.gz FWIZQODIFBTDDD-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000226623187 259515976 /nfs/dbraw/zinc/51/59/76/259515976.db2.gz INLGPAXFJMOUFO-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000226623199 259515956 /nfs/dbraw/zinc/51/59/56/259515956.db2.gz INLGPAXFJMOUFO-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1ccc(F)c(CNc2cccc(F)c2)c1 ZINC000226630219 388725573 /nfs/dbraw/zinc/72/55/73/388725573.db2.gz DZZJYTLKAYFKKV-UHFFFAOYSA-N 0 0 233.261 3.885 20 0 BHADRN Cc1ccc(NCc2cnn(C(C)C)c2)cc1F ZINC000226631769 134368699 /nfs/dbraw/zinc/36/86/99/134368699.db2.gz PRZGKDJUUBIHSB-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN CC(C)n1cc(CNc2cccc(Cl)c2)cn1 ZINC000226644350 386350304 /nfs/dbraw/zinc/35/03/04/386350304.db2.gz FHNICROZLOIEBV-UHFFFAOYSA-N 0 0 249.745 3.730 20 0 BHADRN Cc1ccc(C)c(NCc2cnn(C(C)C)c2)c1 ZINC000226644488 134368779 /nfs/dbraw/zinc/36/87/79/134368779.db2.gz YJKQJHMPGFBQCO-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN Cc1ccc(F)cc1NCc1cnn(C(C)C)c1 ZINC000226644843 386350354 /nfs/dbraw/zinc/35/03/54/386350354.db2.gz YFKTXDDSDVSFNK-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN Cc1cc(F)cc(NCc2cnn(C(C)C)c2)c1 ZINC000226647145 178079818 /nfs/dbraw/zinc/07/98/18/178079818.db2.gz XDOYCKXQVRYTOT-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN Cc1c(F)cccc1NCc1cnn(C(C)C)c1 ZINC000226648531 134368617 /nfs/dbraw/zinc/36/86/17/134368617.db2.gz HIXGRQSEMBXSDJ-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN Cc1ccoc1CNc1ccc2ncsc2c1 ZINC000226651302 134368328 /nfs/dbraw/zinc/36/83/28/134368328.db2.gz JOAPCGYIUIWKQV-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN Fc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)cn1 ZINC000226664785 711831534 /nfs/dbraw/zinc/83/15/34/711831534.db2.gz XDJYVGAROJNOEF-VXGBXAGGSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)cn1 ZINC000226664793 711831618 /nfs/dbraw/zinc/83/16/18/711831618.db2.gz XDJYVGAROJNOEF-NEPJUHHUSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)cn1 ZINC000226664799 711831506 /nfs/dbraw/zinc/83/15/06/711831506.db2.gz XDJYVGAROJNOEF-NWDGAFQWSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)cn1 ZINC000226664806 711831646 /nfs/dbraw/zinc/83/16/46/711831646.db2.gz XDJYVGAROJNOEF-RYUDHWBXSA-N 0 0 234.318 3.601 20 0 BHADRN CC[C@@H](C)c1ccc(OCCC(C)(C)O)cc1 ZINC000226790041 388729602 /nfs/dbraw/zinc/72/96/02/388729602.db2.gz NWSLLZKWQCNNTL-GFCCVEGCSA-N 0 0 236.355 3.740 20 0 BHADRN CC[C@H](C)c1ccc(OCCC(C)(C)O)cc1 ZINC000226790046 388730178 /nfs/dbraw/zinc/73/01/78/388730178.db2.gz NWSLLZKWQCNNTL-LBPRGKRZSA-N 0 0 236.355 3.740 20 0 BHADRN Cc1ccccc1CSCCCCCCO ZINC000226793773 640792744 /nfs/dbraw/zinc/79/27/44/640792744.db2.gz NYSJHWQARRCMMU-UHFFFAOYSA-N 0 0 238.396 3.781 20 0 BHADRN OCCCCCCSc1ccc(Cl)cc1 ZINC000226793808 640792687 /nfs/dbraw/zinc/79/26/87/640792687.db2.gz QTKKAFDIMSJPGX-UHFFFAOYSA-N 0 0 244.787 3.985 20 0 BHADRN OCCCCCCSc1ccccc1Cl ZINC000226793848 640792822 /nfs/dbraw/zinc/79/28/22/640792822.db2.gz XWVCDYDGMYWCII-UHFFFAOYSA-N 0 0 244.787 3.985 20 0 BHADRN Cc1ccc(SCCCCCCO)cc1C ZINC000226793905 640792660 /nfs/dbraw/zinc/79/26/60/640792660.db2.gz DYPUZLUNOSXDSN-UHFFFAOYSA-N 0 0 238.396 3.948 20 0 BHADRN Cc1ccc(C)c(SCCCCCCO)c1 ZINC000226793920 640792780 /nfs/dbraw/zinc/79/27/80/640792780.db2.gz BOXYPVBDVJAWET-UHFFFAOYSA-N 0 0 238.396 3.948 20 0 BHADRN Cc1ccc(SCCCCCCO)c(C)c1 ZINC000226793929 640792732 /nfs/dbraw/zinc/79/27/32/640792732.db2.gz WVIFGOXMTCHNPU-UHFFFAOYSA-N 0 0 238.396 3.948 20 0 BHADRN OCCCCCCSc1ccc(F)cc1F ZINC000226793980 635441440 /nfs/dbraw/zinc/44/14/40/635441440.db2.gz CDJGIBLBXJPCFN-UHFFFAOYSA-N 0 0 246.322 3.610 20 0 BHADRN OCCCCCCSc1cc(F)ccc1F ZINC000226793989 640792808 /nfs/dbraw/zinc/79/28/08/640792808.db2.gz RWNLLXHFYVJGJR-UHFFFAOYSA-N 0 0 246.322 3.610 20 0 BHADRN OCCCCCCSc1cccc(Cl)c1 ZINC000226794640 640792793 /nfs/dbraw/zinc/79/27/93/640792793.db2.gz JFOFWHHDJPJAJD-UHFFFAOYSA-N 0 0 244.787 3.985 20 0 BHADRN Cc1ccc(N[C@@H]2CCc3cccnc32)cc1C ZINC000226799222 640796529 /nfs/dbraw/zinc/79/65/29/640796529.db2.gz OKJGASUWGNRVRI-OAHLLOKOSA-N 0 0 238.334 3.798 20 0 BHADRN Cc1ccc(N[C@H]2CCc3cccnc32)cc1C ZINC000226799231 640796626 /nfs/dbraw/zinc/79/66/26/640796626.db2.gz OKJGASUWGNRVRI-HNNXBMFYSA-N 0 0 238.334 3.798 20 0 BHADRN Cc1cc(C)cc(N[C@@H]2CCc3cccnc32)c1 ZINC000226799642 635441056 /nfs/dbraw/zinc/44/10/56/635441056.db2.gz XTNJVGHFRNMNOK-OAHLLOKOSA-N 0 0 238.334 3.798 20 0 BHADRN Cc1cc(C)cc(N[C@H]2CCc3cccnc32)c1 ZINC000226799648 640795963 /nfs/dbraw/zinc/79/59/63/640795963.db2.gz XTNJVGHFRNMNOK-HNNXBMFYSA-N 0 0 238.334 3.798 20 0 BHADRN Cc1ccc(F)cc1N[C@@H]1CCc2cccnc21 ZINC000226799674 640795659 /nfs/dbraw/zinc/79/56/59/640795659.db2.gz FEVCJKBPLGRPOS-CYBMUJFWSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccc(F)cc1N[C@H]1CCc2cccnc21 ZINC000226799680 640796138 /nfs/dbraw/zinc/79/61/38/640796138.db2.gz FEVCJKBPLGRPOS-ZDUSSCGKSA-N 0 0 242.297 3.629 20 0 BHADRN CCc1ccc(N[C@@H]2CCc3cccnc32)cc1 ZINC000226799719 640795906 /nfs/dbraw/zinc/79/59/06/640795906.db2.gz JLVREDBHEFECQW-OAHLLOKOSA-N 0 0 238.334 3.743 20 0 BHADRN CCc1ccc(N[C@H]2CCc3cccnc32)cc1 ZINC000226799725 640795833 /nfs/dbraw/zinc/79/58/33/640795833.db2.gz JLVREDBHEFECQW-HNNXBMFYSA-N 0 0 238.334 3.743 20 0 BHADRN Cc1ccc(N[C@@H]2CCc3cccnc32)cc1F ZINC000226799743 640796639 /nfs/dbraw/zinc/79/66/39/640796639.db2.gz QUNFUTAALBNRAQ-CQSZACIVSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccc(N[C@H]2CCc3cccnc32)cc1F ZINC000226799748 640796069 /nfs/dbraw/zinc/79/60/69/640796069.db2.gz QUNFUTAALBNRAQ-AWEZNQCLSA-N 0 0 242.297 3.629 20 0 BHADRN CCc1ccccc1N[C@@H]1CCc2cccnc21 ZINC000226799764 635441070 /nfs/dbraw/zinc/44/10/70/635441070.db2.gz JSUPUFQUKUYBDG-OAHLLOKOSA-N 0 0 238.334 3.743 20 0 BHADRN CCc1ccccc1N[C@H]1CCc2cccnc21 ZINC000226799771 640796611 /nfs/dbraw/zinc/79/66/11/640796611.db2.gz JSUPUFQUKUYBDG-HNNXBMFYSA-N 0 0 238.334 3.743 20 0 BHADRN Cc1cc(F)ccc1N[C@@H]1CCc2cccnc21 ZINC000226799868 640795554 /nfs/dbraw/zinc/79/55/54/640795554.db2.gz XQUNGLIGPDVWRU-CQSZACIVSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1cc(F)ccc1N[C@H]1CCc2cccnc21 ZINC000226799877 635440522 /nfs/dbraw/zinc/44/05/22/635440522.db2.gz XQUNGLIGPDVWRU-AWEZNQCLSA-N 0 0 242.297 3.629 20 0 BHADRN CCc1cccc(N[C@@H]2CCc3cccnc32)c1 ZINC000226799921 635440796 /nfs/dbraw/zinc/44/07/96/635440796.db2.gz FGRLOKVXZBECMS-OAHLLOKOSA-N 0 0 238.334 3.743 20 0 BHADRN CCc1cccc(N[C@H]2CCc3cccnc32)c1 ZINC000226799931 635440153 /nfs/dbraw/zinc/44/01/53/635440153.db2.gz FGRLOKVXZBECMS-HNNXBMFYSA-N 0 0 238.334 3.743 20 0 BHADRN Cc1cccc(N[C@@H]2CCc3cccnc32)c1C ZINC000226800099 640796278 /nfs/dbraw/zinc/79/62/78/640796278.db2.gz BENMHXUIINUGBF-OAHLLOKOSA-N 0 0 238.334 3.798 20 0 BHADRN Cc1cccc(N[C@H]2CCc3cccnc32)c1C ZINC000226800105 635441418 /nfs/dbraw/zinc/44/14/18/635441418.db2.gz BENMHXUIINUGBF-HNNXBMFYSA-N 0 0 238.334 3.798 20 0 BHADRN CC(C)c1cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)ncn1 ZINC000226800120 259618677 /nfs/dbraw/zinc/61/86/77/259618677.db2.gz UVSQJYZOCPKDMB-FRRDWIJNSA-N 0 0 247.386 3.837 20 0 BHADRN CC(C)c1cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)ncn1 ZINC000226800134 388730056 /nfs/dbraw/zinc/73/00/56/388730056.db2.gz UVSQJYZOCPKDMB-RWMBFGLXSA-N 0 0 247.386 3.837 20 0 BHADRN Cc1ccc(C)c(N[C@@H]2CCc3cccnc32)c1 ZINC000226800147 640795857 /nfs/dbraw/zinc/79/58/57/640795857.db2.gz SDSOXVGJQLXJRZ-CQSZACIVSA-N 0 0 238.334 3.798 20 0 BHADRN Cc1ccc(C)c(N[C@H]2CCc3cccnc32)c1 ZINC000226800153 640796076 /nfs/dbraw/zinc/79/60/76/640796076.db2.gz SDSOXVGJQLXJRZ-AWEZNQCLSA-N 0 0 238.334 3.798 20 0 BHADRN CC1(C)C[C@@H]1CNc1cc(C(F)(F)F)ccn1 ZINC000226800793 134369732 /nfs/dbraw/zinc/36/97/32/134369732.db2.gz DXXRJXQHOTZAOI-SECBINFHSA-N 0 0 244.260 3.558 20 0 BHADRN CC1(C)C[C@H]1CNc1cc(C(F)(F)F)ccn1 ZINC000226800797 134369667 /nfs/dbraw/zinc/36/96/67/134369667.db2.gz DXXRJXQHOTZAOI-VIFPVBQESA-N 0 0 244.260 3.558 20 0 BHADRN Cc1ccc(N[C@@H]2CCc3cccnc32)c(F)c1 ZINC000226803004 640797789 /nfs/dbraw/zinc/79/77/89/640797789.db2.gz BYYOOVSEOJNHDG-CQSZACIVSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccc(N[C@H]2CCc3cccnc32)c(F)c1 ZINC000226803010 640797450 /nfs/dbraw/zinc/79/74/50/640797450.db2.gz BYYOOVSEOJNHDG-AWEZNQCLSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccc(F)c(N[C@@H]2CCc3cccnc32)c1 ZINC000226803081 640798774 /nfs/dbraw/zinc/79/87/74/640798774.db2.gz PWXKQTGFQLLIQV-CYBMUJFWSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccc(F)c(N[C@H]2CCc3cccnc32)c1 ZINC000226803089 640797440 /nfs/dbraw/zinc/79/74/40/640797440.db2.gz PWXKQTGFQLLIQV-ZDUSSCGKSA-N 0 0 242.297 3.629 20 0 BHADRN CCC1(CNc2cccc(C(F)(F)F)n2)CC1 ZINC000226807356 385054617 /nfs/dbraw/zinc/05/46/17/385054617.db2.gz RXELTOCWMGRWHD-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN CCC1(CNc2ncccc2C(F)(F)F)CC1 ZINC000226807448 168485448 /nfs/dbraw/zinc/48/54/48/168485448.db2.gz TWXUHCRKDUIYBX-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN CCC1(CNc2ccc(C(F)(F)F)cn2)CC1 ZINC000226807717 385054732 /nfs/dbraw/zinc/05/47/32/385054732.db2.gz 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CC1(CNc2ncccc2C(F)(F)F)CCC1 ZINC000226809177 168049670 /nfs/dbraw/zinc/04/96/70/168049670.db2.gz HLXMCXXUBIOVAC-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN CC1(CNc2ccc(C(F)(F)F)cn2)CCC1 ZINC000226809433 168048776 /nfs/dbraw/zinc/04/87/76/168048776.db2.gz WHVNHRXTLBYKQX-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN CC1(CNc2nccc3sccc32)CCC1 ZINC000226809517 134369978 /nfs/dbraw/zinc/36/99/78/134369978.db2.gz CZKDWXZZGVDGMT-UHFFFAOYSA-N 0 0 232.352 3.898 20 0 BHADRN CC1(CNc2cc(C(F)(F)F)ccn2)CCC1 ZINC000226809663 168046563 /nfs/dbraw/zinc/04/65/63/168046563.db2.gz OSECMGBTOUOYLO-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN Cc1cc(NCC2(C)CCC2)nc(C(C)C)n1 ZINC000226810161 178156589 /nfs/dbraw/zinc/15/65/89/178156589.db2.gz BDAHEKOJMYSKSJ-UHFFFAOYSA-N 0 0 233.359 3.511 20 0 BHADRN Cc1c(F)cccc1N[C@@H]1CCc2cccnc21 ZINC000226817506 640795028 /nfs/dbraw/zinc/79/50/28/640795028.db2.gz RDHLUFPPWHXRMA-CQSZACIVSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1c(F)cccc1N[C@H]1CCc2cccnc21 ZINC000226817513 640794072 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242.363 3.554 20 0 BHADRN CCC1(CNc2nccc3occc32)CCC1 ZINC000227777330 134394110 /nfs/dbraw/zinc/39/41/10/134394110.db2.gz HNKBFBDHMLEXAE-UHFFFAOYSA-N 0 0 230.311 3.820 20 0 BHADRN CCC1(CNc2nc3ccccc3o2)CCC1 ZINC000227777469 385233485 /nfs/dbraw/zinc/23/34/85/385233485.db2.gz KVULMIRGAKPMQN-UHFFFAOYSA-N 0 0 230.311 3.820 20 0 BHADRN CCC1(CNc2nc(C(C)C)ns2)CCC1 ZINC000227777503 168483394 /nfs/dbraw/zinc/48/33/94/168483394.db2.gz NAQHNKYQUMRCHT-UHFFFAOYSA-N 0 0 239.388 3.654 20 0 BHADRN CCC1(CNc2ncnc3ccccc32)CCC1 ZINC000227777634 385234765 /nfs/dbraw/zinc/23/47/65/385234765.db2.gz DUBIWPREFGQFKH-UHFFFAOYSA-N 0 0 241.338 3.622 20 0 BHADRN CCC1(CNc2ncnc3sccc32)CCC1 ZINC000227777671 387058268 /nfs/dbraw/zinc/05/82/68/387058268.db2.gz IIYVWUXKXZIDJW-UHFFFAOYSA-N 0 0 247.367 3.684 20 0 BHADRN CC[C@@H](C)c1ccc(OCc2cncn2C)cc1 ZINC000227777835 134393612 /nfs/dbraw/zinc/39/36/12/134393612.db2.gz PCHBBQLACVNZBP-GFCCVEGCSA-N 0 0 244.338 3.513 20 0 BHADRN CC[C@H](C)c1ccc(OCc2cncn2C)cc1 ZINC000227777841 134394878 /nfs/dbraw/zinc/39/48/78/134394878.db2.gz PCHBBQLACVNZBP-LBPRGKRZSA-N 0 0 244.338 3.513 20 0 BHADRN CC(C)C1(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000227791176 388758909 /nfs/dbraw/zinc/75/89/09/388758909.db2.gz IPMZFGUQUIELJT-LBPRGKRZSA-N 0 0 235.346 3.913 20 0 BHADRN CC(C)C1(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000227791180 388757813 /nfs/dbraw/zinc/75/78/13/388757813.db2.gz IPMZFGUQUIELJT-GFCCVEGCSA-N 0 0 235.346 3.913 20 0 BHADRN CC(C)C1(CNc2nccc3occc32)CC1 ZINC000227823336 134389153 /nfs/dbraw/zinc/38/91/53/134389153.db2.gz NVVXWJCOUVLBNE-UHFFFAOYSA-N 0 0 230.311 3.676 20 0 BHADRN CC(C)C1(CNc2nc3ccccc3o2)CC1 ZINC000227823404 166745413 /nfs/dbraw/zinc/74/54/13/166745413.db2.gz NIIHEARCKIDHBJ-UHFFFAOYSA-N 0 0 230.311 3.676 20 0 BHADRN CC(C)C1(CNc2ncnc3ccsc32)CC1 ZINC000227823412 134389172 /nfs/dbraw/zinc/38/91/72/134389172.db2.gz XOZCYUDBDSMSSV-UHFFFAOYSA-N 0 0 247.367 3.539 20 0 BHADRN CC(C)c1nsc(NCC2(C(C)C)CC2)n1 ZINC000227823533 385253733 /nfs/dbraw/zinc/25/37/33/385253733.db2.gz IZYPTYOQZISPIT-UHFFFAOYSA-N 0 0 239.388 3.510 20 0 BHADRN CC(C)C1(CNc2ccncc2Cl)CC1 ZINC000227823608 134389625 /nfs/dbraw/zinc/38/96/25/134389625.db2.gz XIRBXQUTIPDPSX-UHFFFAOYSA-N 0 0 224.735 3.583 20 0 BHADRN CC(C)C1(CNc2ncnc3sccc32)CC1 ZINC000227823657 385254354 /nfs/dbraw/zinc/25/43/54/385254354.db2.gz ARUQWUNIVHQGKC-UHFFFAOYSA-N 0 0 247.367 3.539 20 0 BHADRN CC(C)C1(CNc2ccc(Cl)cn2)CC1 ZINC000227824130 134389641 /nfs/dbraw/zinc/38/96/41/134389641.db2.gz XOBUSIHLHVQSAD-UHFFFAOYSA-N 0 0 224.735 3.583 20 0 BHADRN O=C(NC1CCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000227826035 259304073 /nfs/dbraw/zinc/30/40/73/259304073.db2.gz QCVHEJNIFITAMU-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN FC(F)(CNC1CCCCC1)c1ccccc1 ZINC000227897963 388761146 /nfs/dbraw/zinc/76/11/46/388761146.db2.gz IZQWPQUPDOEBBA-UHFFFAOYSA-N 0 0 239.309 3.701 20 0 BHADRN FC(F)(CNCc1ccccc1)c1ccccc1 ZINC000227898007 388761282 /nfs/dbraw/zinc/76/12/82/388761282.db2.gz SNMFJQBRIHRYHX-UHFFFAOYSA-N 0 0 247.288 3.568 20 0 BHADRN CC(C)C[C@@H](C)NCC(F)(F)c1ccccc1 ZINC000227899166 388761029 /nfs/dbraw/zinc/76/10/29/388761029.db2.gz QRBHJXYIQGSUDY-GFCCVEGCSA-N 0 0 241.325 3.803 20 0 BHADRN CC(C)C[C@H](C)NCC(F)(F)c1ccccc1 ZINC000227899172 259634742 /nfs/dbraw/zinc/63/47/42/259634742.db2.gz QRBHJXYIQGSUDY-LBPRGKRZSA-N 0 0 241.325 3.803 20 0 BHADRN CC[C@@H](C)[C@@H](C)NCC(F)(F)c1ccccc1 ZINC000227899953 259634807 /nfs/dbraw/zinc/63/48/07/259634807.db2.gz XKCSQFFWHCLAMN-VXGBXAGGSA-N 0 0 241.325 3.803 20 0 BHADRN CC[C@H](C)[C@@H](C)NCC(F)(F)c1ccccc1 ZINC000227899959 259422136 /nfs/dbraw/zinc/42/21/36/259422136.db2.gz XKCSQFFWHCLAMN-NWDGAFQWSA-N 0 0 241.325 3.803 20 0 BHADRN CC[C@@H](C)[C@H](C)NCC(F)(F)c1ccccc1 ZINC000227899964 388761567 /nfs/dbraw/zinc/76/15/67/388761567.db2.gz XKCSQFFWHCLAMN-NEPJUHHUSA-N 0 0 241.325 3.803 20 0 BHADRN CC[C@H](C)[C@H](C)NCC(F)(F)c1ccccc1 ZINC000227899968 388761859 /nfs/dbraw/zinc/76/18/59/388761859.db2.gz XKCSQFFWHCLAMN-RYUDHWBXSA-N 0 0 241.325 3.803 20 0 BHADRN C[C@@H]1CCC[C@@H]1NCC(F)(F)c1ccccc1 ZINC000227901753 388761985 /nfs/dbraw/zinc/76/19/85/388761985.db2.gz BMMSABSCWJRALW-YPMHNXCESA-N 0 0 239.309 3.557 20 0 BHADRN C[C@H]1CCC[C@@H]1NCC(F)(F)c1ccccc1 ZINC000227901757 322819241 /nfs/dbraw/zinc/81/92/41/322819241.db2.gz BMMSABSCWJRALW-AAEUAGOBSA-N 0 0 239.309 3.557 20 0 BHADRN C[C@@H]1CCC[C@H]1NCC(F)(F)c1ccccc1 ZINC000227901763 388761735 /nfs/dbraw/zinc/76/17/35/388761735.db2.gz BMMSABSCWJRALW-DGCLKSJQSA-N 0 0 239.309 3.557 20 0 BHADRN C[C@H]1CCC[C@H]1NCC(F)(F)c1ccccc1 ZINC000227901766 388761824 /nfs/dbraw/zinc/76/18/24/388761824.db2.gz BMMSABSCWJRALW-WCQYABFASA-N 0 0 239.309 3.557 20 0 BHADRN C[C@@H](CC1CC1)NCC(F)(F)c1ccccc1 ZINC000227901993 388761008 /nfs/dbraw/zinc/76/10/08/388761008.db2.gz DMVSSIFAEDXIGB-NSHDSACASA-N 0 0 239.309 3.557 20 0 BHADRN C[C@H](CC1CC1)NCC(F)(F)c1ccccc1 ZINC000227901997 388761837 /nfs/dbraw/zinc/76/18/37/388761837.db2.gz DMVSSIFAEDXIGB-LLVKDONJSA-N 0 0 239.309 3.557 20 0 BHADRN C[C@@H](NCC(F)(F)c1ccccc1)C(C)(C)C ZINC000227904088 259634734 /nfs/dbraw/zinc/63/47/34/259634734.db2.gz SLBUKCALQFJWCL-LLVKDONJSA-N 0 0 241.325 3.803 20 0 BHADRN C[C@H](NCC(F)(F)c1ccccc1)C(C)(C)C ZINC000227904092 388761744 /nfs/dbraw/zinc/76/17/44/388761744.db2.gz SLBUKCALQFJWCL-NSHDSACASA-N 0 0 241.325 3.803 20 0 BHADRN C[C@@H](NCC(F)(F)c1ccccc1)C1CCC1 ZINC000227904434 388761150 /nfs/dbraw/zinc/76/11/50/388761150.db2.gz UCDSZYUSUJWVEW-LLVKDONJSA-N 0 0 239.309 3.557 20 0 BHADRN C[C@H](NCC(F)(F)c1ccccc1)C1CCC1 ZINC000227904437 259634803 /nfs/dbraw/zinc/63/48/03/259634803.db2.gz UCDSZYUSUJWVEW-NSHDSACASA-N 0 0 239.309 3.557 20 0 BHADRN CC[C@@H](C)CNc1ccc(Cl)c(OC)c1 ZINC000227933177 388762465 /nfs/dbraw/zinc/76/24/65/388762465.db2.gz JZXCRACJNIRDRW-SECBINFHSA-N 0 0 227.735 3.807 20 0 BHADRN CC[C@H](C)CNc1ccc(Cl)c(OC)c1 ZINC000227933187 259634715 /nfs/dbraw/zinc/63/47/15/259634715.db2.gz JZXCRACJNIRDRW-VIFPVBQESA-N 0 0 227.735 3.807 20 0 BHADRN CCCCNc1ccc(Cl)c(OC)c1 ZINC000227933236 388762735 /nfs/dbraw/zinc/76/27/35/388762735.db2.gz LUTANQQLBSVTAO-UHFFFAOYSA-N 0 0 213.708 3.561 20 0 BHADRN Cc1ccoc1CNc1ccc(Cl)nc1C ZINC000227937113 711833329 /nfs/dbraw/zinc/83/33/29/711833329.db2.gz ZNYCHABPSWAULC-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1nc(Cl)ccc1NCC(C)(C)C ZINC000227937552 371960547 /nfs/dbraw/zinc/96/05/47/371960547.db2.gz WLLHJZMJLUBSAG-UHFFFAOYSA-N 0 0 212.724 3.501 20 0 BHADRN CO[C@@H](C)COc1cc(C(C)C)ccc1C ZINC000227952427 388762581 /nfs/dbraw/zinc/76/25/81/388762581.db2.gz RIFGGLLWYAKYBH-LBPRGKRZSA-N 0 0 222.328 3.532 20 0 BHADRN CO[C@H](C)COc1cc(C(C)C)ccc1C ZINC000227952435 388762554 /nfs/dbraw/zinc/76/25/54/388762554.db2.gz RIFGGLLWYAKYBH-GFCCVEGCSA-N 0 0 222.328 3.532 20 0 BHADRN CC[C@@H](C)c1ccc(OC[C@@H](C)OC)cc1 ZINC000227952556 259634737 /nfs/dbraw/zinc/63/47/37/259634737.db2.gz UKDVNZWUCVPQKT-VXGBXAGGSA-N 0 0 222.328 3.614 20 0 BHADRN CC[C@H](C)c1ccc(OC[C@@H](C)OC)cc1 ZINC000227952563 259634788 /nfs/dbraw/zinc/63/47/88/259634788.db2.gz UKDVNZWUCVPQKT-NWDGAFQWSA-N 0 0 222.328 3.614 20 0 BHADRN CC[C@@H](C)c1ccc(OC[C@H](C)OC)cc1 ZINC000227952571 388762847 /nfs/dbraw/zinc/76/28/47/388762847.db2.gz UKDVNZWUCVPQKT-NEPJUHHUSA-N 0 0 222.328 3.614 20 0 BHADRN CC[C@H](C)c1ccc(OC[C@H](C)OC)cc1 ZINC000227952579 388763148 /nfs/dbraw/zinc/76/31/48/388763148.db2.gz UKDVNZWUCVPQKT-RYUDHWBXSA-N 0 0 222.328 3.614 20 0 BHADRN COc1cc(NCC(C)(C)C)ccc1Cl ZINC000227964072 388763048 /nfs/dbraw/zinc/76/30/48/388763048.db2.gz VESKGCXVPYSLHG-UHFFFAOYSA-N 0 0 227.735 3.807 20 0 BHADRN COc1cc(NCC=C(C)C)ccc1Cl ZINC000227964210 711833226 /nfs/dbraw/zinc/83/32/26/711833226.db2.gz NIOWWXKCITXWEJ-UHFFFAOYSA-N 0 0 225.719 3.727 20 0 BHADRN COc1cc(NCc2ccoc2)ccc1Cl ZINC000227964263 711833336 /nfs/dbraw/zinc/83/33/36/711833336.db2.gz XQKIWSHFTMWPQH-UHFFFAOYSA-N 0 0 237.686 3.554 20 0 BHADRN CCCC(CCC)C(=O)Nc1ccc(C)cc1O ZINC000227964517 388762713 /nfs/dbraw/zinc/76/27/13/388762713.db2.gz LUOUXBAFXIUKCB-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN CSC1(CNc2nc3ccccc3o2)CCC1 ZINC000227985715 387058636 /nfs/dbraw/zinc/05/86/36/387058636.db2.gz IOSQZLUZNDYJGU-UHFFFAOYSA-N 0 0 248.351 3.525 20 0 BHADRN CSC1(CNc2nccc3occc32)CCC1 ZINC000227987527 386529767 /nfs/dbraw/zinc/52/97/67/386529767.db2.gz CBWSAOHJCFHRCC-UHFFFAOYSA-N 0 0 248.351 3.525 20 0 BHADRN CSC1(CNc2ccc3ccccc3n2)CC1 ZINC000227989750 386530382 /nfs/dbraw/zinc/53/03/82/386530382.db2.gz AANBYCMICQOMEH-UHFFFAOYSA-N 0 0 244.363 3.542 20 0 BHADRN CCCCNc1ccc2ncsc2c1 ZINC000228024175 640855544 /nfs/dbraw/zinc/85/55/44/640855544.db2.gz YBERSTUHCGLDNB-UHFFFAOYSA-N 0 0 206.314 3.508 20 0 BHADRN CC[C@@H](C)COc1cnc2ccccc2c1 ZINC000228035154 388765839 /nfs/dbraw/zinc/76/58/39/388765839.db2.gz KQPPPZFLIQBODV-LLVKDONJSA-N 0 0 215.296 3.660 20 0 BHADRN CC[C@H](C)COc1cnc2ccccc2c1 ZINC000228035166 388766036 /nfs/dbraw/zinc/76/60/36/388766036.db2.gz KQPPPZFLIQBODV-NSHDSACASA-N 0 0 215.296 3.660 20 0 BHADRN FC(F)(F)CCOc1cnc2ccccc2c1 ZINC000228035193 387062279 /nfs/dbraw/zinc/06/22/79/387062279.db2.gz HOPMLBZQVYUAMM-UHFFFAOYSA-N 0 0 241.212 3.566 20 0 BHADRN c1ccc(COc2cnc3ccccc3c2)cc1 ZINC000228036448 388765809 /nfs/dbraw/zinc/76/58/09/388765809.db2.gz RHWYSPPYRCBHPU-UHFFFAOYSA-N 0 0 235.286 3.814 20 0 BHADRN c1ccc(NC[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000228036661 388765790 /nfs/dbraw/zinc/76/57/90/388765790.db2.gz SNXDSRMLYVBIPR-HNNXBMFYSA-N 0 0 245.366 3.980 20 0 BHADRN c1ccc(NC[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000228036674 388765161 /nfs/dbraw/zinc/76/51/61/388765161.db2.gz SNXDSRMLYVBIPR-OAHLLOKOSA-N 0 0 245.366 3.980 20 0 BHADRN CCCCCCNc1ccccc1CCOC ZINC000228039508 640857659 /nfs/dbraw/zinc/85/76/59/640857659.db2.gz BKSMFWPOLVRRPX-UHFFFAOYSA-N 0 0 235.371 3.868 20 0 BHADRN COCCc1ccccc1NCC1CCCCC1 ZINC000228039647 388767083 /nfs/dbraw/zinc/76/70/83/388767083.db2.gz MEWUJGGFRNBDHX-UHFFFAOYSA-N 0 0 247.382 3.868 20 0 BHADRN Cc1cnc(C[NH2+]CC2CCCCCC2)s1 ZINC000228041390 387061618 /nfs/dbraw/zinc/06/16/18/387061618.db2.gz GCUDAYJMUDDTPZ-UHFFFAOYSA-N 0 0 238.400 3.512 20 0 BHADRN COc1cc(N[C@@H](C)CC2CC2)ccc1Cl ZINC000228045861 259635785 /nfs/dbraw/zinc/63/57/85/259635785.db2.gz LXKFNBYVDJHFRH-VIFPVBQESA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(N[C@H](C)CC2CC2)ccc1Cl ZINC000228045876 388768085 /nfs/dbraw/zinc/76/80/85/388768085.db2.gz LXKFNBYVDJHFRH-SECBINFHSA-N 0 0 239.746 3.949 20 0 BHADRN CCC[C@@H](C)CNc1ccccc1CCOC ZINC000228046608 259635803 /nfs/dbraw/zinc/63/58/03/259635803.db2.gz FFMMIGNSJXXORP-CYBMUJFWSA-N 0 0 235.371 3.724 20 0 BHADRN CCC[C@H](C)CNc1ccccc1CCOC ZINC000228046619 388767512 /nfs/dbraw/zinc/76/75/12/388767512.db2.gz FFMMIGNSJXXORP-ZDUSSCGKSA-N 0 0 235.371 3.724 20 0 BHADRN CCC(CC)Nc1ccc(Cl)c(OC)c1 ZINC000228047328 259635768 /nfs/dbraw/zinc/63/57/68/259635768.db2.gz JKKJJRBALUSMNS-UHFFFAOYSA-N 0 0 227.735 3.949 20 0 BHADRN CC[C@@H](Nc1ccc(Cl)c(OC)c1)C1CC1 ZINC000228047532 259635937 /nfs/dbraw/zinc/63/59/37/259635937.db2.gz WCHKDAOHQUFVFZ-GFCCVEGCSA-N 0 0 239.746 3.949 20 0 BHADRN CC[C@H](Nc1ccc(Cl)c(OC)c1)C1CC1 ZINC000228047542 259635721 /nfs/dbraw/zinc/63/57/21/259635721.db2.gz WCHKDAOHQUFVFZ-LBPRGKRZSA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(N[C@@H]2CCC[C@@H]2C)ccc1Cl ZINC000228048274 388768052 /nfs/dbraw/zinc/76/80/52/388768052.db2.gz YVDQAECSEGRHDV-JOYOIKCWSA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(N[C@H]2CCC[C@@H]2C)ccc1Cl ZINC000228048285 518138669 /nfs/dbraw/zinc/13/86/69/518138669.db2.gz YVDQAECSEGRHDV-CABZTGNLSA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(N[C@@H]2CCC[C@H]2C)ccc1Cl ZINC000228048296 388767880 /nfs/dbraw/zinc/76/78/80/388767880.db2.gz YVDQAECSEGRHDV-BXKDBHETSA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(N[C@H]2CCC[C@H]2C)ccc1Cl ZINC000228048308 388766879 /nfs/dbraw/zinc/76/68/79/388766879.db2.gz YVDQAECSEGRHDV-SKDRFNHKSA-N 0 0 239.746 3.949 20 0 BHADRN CCC[C@@H](C)Nc1ccc(Cl)c(OC)c1 ZINC000228048322 388767783 /nfs/dbraw/zinc/76/77/83/388767783.db2.gz DMGXZRRIQQNLRZ-SECBINFHSA-N 0 0 227.735 3.949 20 0 BHADRN CCC[C@H](C)Nc1ccc(Cl)c(OC)c1 ZINC000228048333 388767162 /nfs/dbraw/zinc/76/71/62/388767162.db2.gz DMGXZRRIQQNLRZ-VIFPVBQESA-N 0 0 227.735 3.949 20 0 BHADRN COc1cc(N[C@@H]2CC[C@@H](C)C2)ccc1Cl ZINC000228048346 388767949 /nfs/dbraw/zinc/76/79/49/388767949.db2.gz GMVISWYTDXIDDK-NXEZZACHSA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(N[C@H]2CC[C@@H](C)C2)ccc1Cl ZINC000228048357 388767721 /nfs/dbraw/zinc/76/77/21/388767721.db2.gz GMVISWYTDXIDDK-ZJUUUORDSA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(N[C@@H]2CC[C@H](C)C2)ccc1Cl ZINC000228048370 388767795 /nfs/dbraw/zinc/76/77/95/388767795.db2.gz GMVISWYTDXIDDK-VHSXEESVSA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(N[C@H]2CC[C@H](C)C2)ccc1Cl ZINC000228048380 388768081 /nfs/dbraw/zinc/76/80/81/388768081.db2.gz GMVISWYTDXIDDK-UWVGGRQHSA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(N[C@@H](C)C(C)C)ccc1Cl ZINC000228048531 388768022 /nfs/dbraw/zinc/76/80/22/388768022.db2.gz HFLDPSLNMVTJSX-VIFPVBQESA-N 0 0 227.735 3.805 20 0 BHADRN COc1cc(N[C@H](C)C(C)C)ccc1Cl ZINC000228048542 259305242 /nfs/dbraw/zinc/30/52/42/259305242.db2.gz HFLDPSLNMVTJSX-SECBINFHSA-N 0 0 227.735 3.805 20 0 BHADRN COCCc1ccccc1N[C@@H]1CCC(C)(C)C1 ZINC000228070596 386538135 /nfs/dbraw/zinc/53/81/35/386538135.db2.gz ZNGVUIFFSYUFIK-CQSZACIVSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1N[C@H]1CCC(C)(C)C1 ZINC000228070606 259635879 /nfs/dbraw/zinc/63/58/79/259635879.db2.gz ZNGVUIFFSYUFIK-AWEZNQCLSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1N[C@@H]1CCC[C@@H](C)C1 ZINC000228071058 388767675 /nfs/dbraw/zinc/76/76/75/388767675.db2.gz WDUPXLVRBUFSRK-UKRRQHHQSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1N[C@H]1CCC[C@@H](C)C1 ZINC000228071068 388766833 /nfs/dbraw/zinc/76/68/33/388766833.db2.gz WDUPXLVRBUFSRK-HIFRSBDPSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1N[C@@H]1CCC[C@H](C)C1 ZINC000228071079 259635791 /nfs/dbraw/zinc/63/57/91/259635791.db2.gz WDUPXLVRBUFSRK-DZGCQCFKSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1N[C@H]1CCC[C@H](C)C1 ZINC000228071086 388767608 /nfs/dbraw/zinc/76/76/08/388767608.db2.gz WDUPXLVRBUFSRK-ZFWWWQNUSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1NC1CCC(C)CC1 ZINC000228071308 388769054 /nfs/dbraw/zinc/76/90/54/388769054.db2.gz SORGYWAOUWODJC-UHFFFAOYSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1N[C@@H](C)CC1CCC1 ZINC000228071800 491089284 /nfs/dbraw/zinc/08/92/84/491089284.db2.gz XGRXTGWRDOYKND-ZDUSSCGKSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1N[C@H](C)CC1CCC1 ZINC000228071813 491089294 /nfs/dbraw/zinc/08/92/94/491089294.db2.gz XGRXTGWRDOYKND-CYBMUJFWSA-N 0 0 247.382 3.866 20 0 BHADRN COCCc1ccccc1NCCCC(C)C ZINC000228075199 388768681 /nfs/dbraw/zinc/76/86/81/388768681.db2.gz HAMCXMPGBKYSBY-UHFFFAOYSA-N 0 0 235.371 3.724 20 0 BHADRN CCC(CC)CNc1ccccc1CCOC ZINC000228075423 388769540 /nfs/dbraw/zinc/76/95/40/388769540.db2.gz CXLBKFNQJQYYNS-UHFFFAOYSA-N 0 0 235.371 3.724 20 0 BHADRN CCSCCNc1ccc(Cl)c(OC)c1 ZINC000228092438 388769791 /nfs/dbraw/zinc/76/97/91/388769791.db2.gz UMWTUTNVZPAZLH-UHFFFAOYSA-N 0 0 245.775 3.514 20 0 BHADRN Cc1nc(Cl)ccc1N[C@@H]1CC[C@@H](C)C1 ZINC000228092673 640860477 /nfs/dbraw/zinc/86/04/77/640860477.db2.gz CSBSPMXCPHKSMH-PSASIEDQSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1N[C@H]1CC[C@@H](C)C1 ZINC000228092683 640860313 /nfs/dbraw/zinc/86/03/13/640860313.db2.gz CSBSPMXCPHKSMH-SCZZXKLOSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1N[C@@H]1CC[C@H](C)C1 ZINC000228092693 640860658 /nfs/dbraw/zinc/86/06/58/640860658.db2.gz CSBSPMXCPHKSMH-WCBMZHEXSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1N[C@H]1CC[C@H](C)C1 ZINC000228092700 640860714 /nfs/dbraw/zinc/86/07/14/640860714.db2.gz CSBSPMXCPHKSMH-WPRPVWTQSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1N[C@@H](C)CC1CC1 ZINC000228092841 640860041 /nfs/dbraw/zinc/86/00/41/640860041.db2.gz ZIISIYGEBKSHGD-QMMMGPOBSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1N[C@H](C)CC1CC1 ZINC000228092854 640860670 /nfs/dbraw/zinc/86/06/70/640860670.db2.gz ZIISIYGEBKSHGD-MRVPVSSYSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1NC1CCCCC1 ZINC000228093073 640859964 /nfs/dbraw/zinc/85/99/64/640859964.db2.gz HLFCCPZNZDEIGD-UHFFFAOYSA-N 0 0 224.735 3.788 20 0 BHADRN Cc1nc(Cl)ccc1N[C@@H]1CCC[C@@H]1C ZINC000228093622 640860394 /nfs/dbraw/zinc/86/03/94/640860394.db2.gz YRKVYTUCNXIRLN-WCBMZHEXSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1N[C@H]1CCC[C@@H]1C ZINC000228093630 640859936 /nfs/dbraw/zinc/85/99/36/640859936.db2.gz YRKVYTUCNXIRLN-WPRPVWTQSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1N[C@@H]1CCC[C@H]1C ZINC000228093640 640859697 /nfs/dbraw/zinc/85/96/97/640859697.db2.gz YRKVYTUCNXIRLN-PSASIEDQSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1N[C@H]1CCC[C@H]1C ZINC000228093647 640859931 /nfs/dbraw/zinc/85/99/31/640859931.db2.gz YRKVYTUCNXIRLN-SCZZXKLOSA-N 0 0 224.735 3.644 20 0 BHADRN CCC(CC)Nc1ccc(Cl)nc1C ZINC000228093775 632456400 /nfs/dbraw/zinc/45/64/00/632456400.db2.gz KILPPHLOMYWOSY-UHFFFAOYSA-N 0 0 212.724 3.644 20 0 BHADRN CC[C@@H](C)CNc1ccc(Cl)nc1C ZINC000228093857 371989923 /nfs/dbraw/zinc/98/99/23/371989923.db2.gz CFUHBVGZFHTLHR-MRVPVSSYSA-N 0 0 212.724 3.501 20 0 BHADRN CC[C@H](C)CNc1ccc(Cl)nc1C ZINC000228093866 371990254 /nfs/dbraw/zinc/99/02/54/371990254.db2.gz CFUHBVGZFHTLHR-QMMMGPOBSA-N 0 0 212.724 3.501 20 0 BHADRN c1csc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000228109154 635456359 /nfs/dbraw/zinc/45/63/59/635456359.db2.gz OYVPHGXPRLMWFX-SDDRHHMPSA-N 0 0 236.384 3.914 20 0 BHADRN C/C=C\C(=O)Nc1ccccc1-c1cccs1 ZINC000228126855 711833617 /nfs/dbraw/zinc/83/36/17/711833617.db2.gz RCKXXHAPRYLXJC-KXFIGUGUSA-N 0 0 243.331 3.930 20 0 BHADRN C/C=C\C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000228126867 711833698 /nfs/dbraw/zinc/83/36/98/711833698.db2.gz DNJWXBXGJZMUNF-ARJAWSKDSA-N 0 0 243.228 3.528 20 0 BHADRN C/C=C\C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000228134431 711833752 /nfs/dbraw/zinc/83/37/52/711833752.db2.gz SXPVZYGHEIAEPI-IBHLPDHGSA-N 0 0 243.306 3.528 20 0 BHADRN C/C=C\C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000228134444 711833793 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/nfs/dbraw/zinc/88/85/72/633888572.db2.gz YOLSFEICNHQQOZ-GXMNPTEKSA-N 0 0 249.329 3.605 20 0 BHADRN C/C=C\C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000228172493 633889726 /nfs/dbraw/zinc/88/97/26/633889726.db2.gz YOLSFEICNHQQOZ-GEXIGZQTSA-N 0 0 249.329 3.605 20 0 BHADRN C/C=C\C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000228190642 633896551 /nfs/dbraw/zinc/89/65/51/633896551.db2.gz NAEAFKZNPBBSKA-IUAZIXFQSA-N 0 0 249.741 3.580 20 0 BHADRN C/C=C\C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000228190659 633896413 /nfs/dbraw/zinc/89/64/13/633896413.db2.gz NAEAFKZNPBBSKA-XYRDXQRHSA-N 0 0 249.741 3.580 20 0 BHADRN Fc1cccc(NCc2ccc(C3CC3)cc2)n1 ZINC000228292163 181002158 /nfs/dbraw/zinc/00/21/58/181002158.db2.gz NSHZNFFNGOGZEQ-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000228308496 259375839 /nfs/dbraw/zinc/37/58/39/259375839.db2.gz IVNBXSOZYAIBJU-RFQIPJPRSA-N 0 0 239.403 3.754 20 0 BHADRN CCCC(CCC)C(=O)Nc1ccc(C)c(O)c1 ZINC000228454327 323091531 /nfs/dbraw/zinc/09/15/31/323091531.db2.gz BWHLFSCALFWSLK-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN CCCC(CCC)C(=O)Nc1ccc(O)cc1C ZINC000228466805 386576810 /nfs/dbraw/zinc/57/68/10/386576810.db2.gz ZOJUGMOVSKDFEW-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN C[C@@H](N[C@@H](C)C(F)F)c1ccc(Cl)cc1 ZINC000228482576 487656807 /nfs/dbraw/zinc/65/68/07/487656807.db2.gz AJRUCDBEASSRPM-SFYZADRCSA-N 0 0 233.689 3.644 20 0 BHADRN C[C@H](N[C@@H](C)C(F)F)c1ccc(Cl)cc1 ZINC000228482583 487656691 /nfs/dbraw/zinc/65/66/91/487656691.db2.gz AJRUCDBEASSRPM-YUMQZZPRSA-N 0 0 233.689 3.644 20 0 BHADRN C[C@@H](N[C@H](C)C(F)F)c1ccc(Cl)cc1 ZINC000228482590 487656879 /nfs/dbraw/zinc/65/68/79/487656879.db2.gz AJRUCDBEASSRPM-HTQZYQBOSA-N 0 0 233.689 3.644 20 0 BHADRN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(F)F ZINC000228482595 487656709 /nfs/dbraw/zinc/65/67/09/487656709.db2.gz AJRUCDBEASSRPM-JGVFFNPUSA-N 0 0 233.689 3.644 20 0 BHADRN C[C@@H](N[C@@H](C)C(F)F)c1ccccc1Cl ZINC000228482872 487656819 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ZINC000231900820 641217032 /nfs/dbraw/zinc/21/70/32/641217032.db2.gz SGEDERCYGAZNKR-SNVBAGLBSA-N 0 0 210.296 3.601 20 0 BHADRN CCCCC[C@H](C)Nc1ccc(F)nc1 ZINC000231900824 641216284 /nfs/dbraw/zinc/21/62/84/641216284.db2.gz SGEDERCYGAZNKR-JTQLQIEISA-N 0 0 210.296 3.601 20 0 BHADRN COc1cc(C)c(-c2cc(C)cc(N)c2)cc1C ZINC000232055297 491123866 /nfs/dbraw/zinc/12/38/66/491123866.db2.gz KJDQSWWDDNMNIY-UHFFFAOYSA-N 0 0 241.334 3.870 20 0 BHADRN Cc1cc(N)cc(-c2ccc(OC3CC3)cc2)c1 ZINC000232055351 325115837 /nfs/dbraw/zinc/11/58/37/325115837.db2.gz VWNUVFAFUUFYJK-UHFFFAOYSA-N 0 0 239.318 3.785 20 0 BHADRN Cc1cc(N)cc(-c2ccc3c(c2)CCCO3)c1 ZINC000232055819 491123860 /nfs/dbraw/zinc/12/38/60/491123860.db2.gz WKCBVPHTPAHOBV-UHFFFAOYSA-N 0 0 239.318 3.569 20 0 BHADRN Cc1cncc(NCc2ccc(C(F)F)cc2)c1 ZINC000232073482 325117456 /nfs/dbraw/zinc/11/74/56/325117456.db2.gz BAFCJPWCQPLQHE-UHFFFAOYSA-N 0 0 248.276 3.940 20 0 BHADRN Cc1ccc(Cl)c(NCc2cnccc2C)c1 ZINC000232229204 357654004 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CCC[C@H](C(=O)N1CCC[C@H](C)[C@H]1C)C(C)C ZINC000245677006 325521721 /nfs/dbraw/zinc/52/17/21/325521721.db2.gz LHGBTAWFKIJOJD-MJBXVCDLSA-N 0 0 239.403 3.706 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1 ZINC000245690399 388598713 /nfs/dbraw/zinc/59/87/13/388598713.db2.gz JNXDSGOURMHABL-HZSPNIEDSA-N 0 0 249.398 3.604 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 ZINC000245690403 325522626 /nfs/dbraw/zinc/52/26/26/325522626.db2.gz JNXDSGOURMHABL-MELADBBJSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000245704549 325523980 /nfs/dbraw/zinc/52/39/80/325523980.db2.gz RJWAPXXNSANNCR-MCIONIFRSA-N 0 0 239.403 3.563 20 0 BHADRN CCC[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)C(C)C ZINC000245710784 325524481 /nfs/dbraw/zinc/52/44/81/325524481.db2.gz SUQGTDCPIJUTGJ-MCIONIFRSA-N 0 0 239.403 3.848 20 0 BHADRN O=C(NC1CCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245722137 325525470 /nfs/dbraw/zinc/52/54/70/325525470.db2.gz QCVHEJNIFITAMU-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 ZINC000245754719 325527298 /nfs/dbraw/zinc/52/72/98/325527298.db2.gz YHDVXNSORIWVNO-CYUUQNCZSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1 ZINC000245754723 388603343 /nfs/dbraw/zinc/60/33/43/388603343.db2.gz YHDVXNSORIWVNO-PMOUVXMZSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1 ZINC000245754731 388603593 /nfs/dbraw/zinc/60/35/93/388603593.db2.gz YHDVXNSORIWVNO-ZGKBOVNRSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H](C)N(C(=O)[C@@H]1CC=CCC1)[C@@H](C)CC ZINC000245769092 325528089 /nfs/dbraw/zinc/52/80/89/325528089.db2.gz WZBZMTNLXSPTHZ-HZSPNIEDSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@H](C)N(C(=O)[C@@H]1CC=CCC1)[C@@H](C)CC ZINC000245769095 388604679 /nfs/dbraw/zinc/60/46/79/388604679.db2.gz WZBZMTNLXSPTHZ-MELADBBJSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000245770292 388604675 /nfs/dbraw/zinc/60/46/75/388604675.db2.gz XDSJLWAZTZNDEP-BFHYXJOUSA-N 0 0 247.382 3.888 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000245770299 325528061 /nfs/dbraw/zinc/52/80/61/325528061.db2.gz XDSJLWAZTZNDEP-MELADBBJSA-N 0 0 247.382 3.888 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000245774997 388604376 /nfs/dbraw/zinc/60/43/76/388604376.db2.gz XZFOMGNSNQLEJC-RWMBFGLXSA-N 0 0 239.403 3.704 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000245775648 388604908 /nfs/dbraw/zinc/60/49/08/388604908.db2.gz XZFOMGNSNQLEJC-YNEHKIRRSA-N 0 0 239.403 3.704 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000245869840 644549074 /nfs/dbraw/zinc/54/90/74/644549074.db2.gz REFGXLAMIDFFJQ-MCIONIFRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC[C@H](C)[C@H]1C ZINC000245869846 644548478 /nfs/dbraw/zinc/54/84/78/644548478.db2.gz REFGXLAMIDFFJQ-MJBXVCDLSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245870938 388608907 /nfs/dbraw/zinc/60/89/07/388608907.db2.gz GDPUJOXCBNXHJT-APIJFGDWSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245870942 325531053 /nfs/dbraw/zinc/53/10/53/325531053.db2.gz GDPUJOXCBNXHJT-CBBWQLFWSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000245870947 325531301 /nfs/dbraw/zinc/53/13/01/325531301.db2.gz GDPUJOXCBNXHJT-KBUPBQIOSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000245889939 388609859 /nfs/dbraw/zinc/60/98/59/388609859.db2.gz JHPNGWXTPNZFOG-UPJWGTAASA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000245889949 325532498 /nfs/dbraw/zinc/53/24/98/325532498.db2.gz JHPNGWXTPNZFOG-XQQFMLRXSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@H](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000245891889 374124947 /nfs/dbraw/zinc/12/49/47/374124947.db2.gz GKFYMSUFBBDXAF-MGPQQGTHSA-N 0 0 239.403 3.563 20 0 BHADRN CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 ZINC000245902461 325532865 /nfs/dbraw/zinc/53/28/65/325532865.db2.gz LMOKSKDVAFRTKF-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 ZINC000245902463 388609263 /nfs/dbraw/zinc/60/92/63/388609263.db2.gz LMOKSKDVAFRTKF-MELADBBJSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@H](C)[C@@H](C)N(C(=O)[C@@H]1CC=CCC1)C1CC1 ZINC000245908373 325533218 /nfs/dbraw/zinc/53/32/18/325533218.db2.gz NSJYDYKNKWUWJZ-BFHYXJOUSA-N 0 0 249.398 3.768 20 0 BHADRN CC[C@H](C)[C@H](C)N(C(=O)[C@@H]1CC=CCC1)C1CC1 ZINC000245908381 388609659 /nfs/dbraw/zinc/60/96/59/388609659.db2.gz NSJYDYKNKWUWJZ-MELADBBJSA-N 0 0 249.398 3.768 20 0 BHADRN CCC[C@H](C(=O)N1CC[C@H](C)[C@@H](C)C1)C(C)C ZINC000245913423 325533256 /nfs/dbraw/zinc/53/32/56/325533256.db2.gz MSWMPLSSZZRCJB-IHRRRGAJSA-N 0 0 239.403 3.563 20 0 BHADRN CCC[C@H](C(=O)N1CC[C@@H](C)[C@@H](C)C1)C(C)C ZINC000245913430 325533333 /nfs/dbraw/zinc/53/33/33/325533333.db2.gz MSWMPLSSZZRCJB-RDBSUJKOSA-N 0 0 239.403 3.563 20 0 BHADRN CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCC1 ZINC000245916981 325533268 /nfs/dbraw/zinc/53/32/68/325533268.db2.gz NYSAVXCONOCARG-HZSPNIEDSA-N 0 0 249.398 3.604 20 0 BHADRN CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCC1 ZINC000245916985 388610804 /nfs/dbraw/zinc/61/08/04/388610804.db2.gz NYSAVXCONOCARG-MELADBBJSA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1[C@H](C)CC[C@H]1C ZINC000245944224 641819325 /nfs/dbraw/zinc/81/93/25/641819325.db2.gz VFJVABMSZMWTAO-MCIONIFRSA-N 0 0 239.403 3.992 20 0 BHADRN CC[C@H](C)OC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000245959478 644556037 /nfs/dbraw/zinc/55/60/37/644556037.db2.gz RRULLHBYPYOEBI-AXFHLTTASA-N 0 0 238.352 3.502 20 0 BHADRN CC[C@H](C)OC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000245959485 644556159 /nfs/dbraw/zinc/55/61/59/644556159.db2.gz RRULLHBYPYOEBI-HBNTYKKESA-N 0 0 238.352 3.502 20 0 BHADRN O=C(NCCC1CC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245965620 538880933 /nfs/dbraw/zinc/88/09/33/538880933.db2.gz YMTXRWFKYIECED-QLFBSQMISA-N 0 0 249.398 3.509 20 0 BHADRN O=C(NCCC1CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000245965624 537961155 /nfs/dbraw/zinc/96/11/55/537961155.db2.gz YMTXRWFKYIECED-RBSFLKMASA-N 0 0 249.398 3.509 20 0 BHADRN CC[C@H](CC(=O)N1CC[C@@H](C)[C@@H](C)C1)C(C)C ZINC000245973438 325536532 /nfs/dbraw/zinc/53/65/32/325536532.db2.gz WSQJIYVJKIZWOG-HZSPNIEDSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@H](CC(=O)N1CC[C@H](C)[C@@H](C)C1)C(C)C ZINC000245973442 388612682 /nfs/dbraw/zinc/61/26/82/388612682.db2.gz WSQJIYVJKIZWOG-MELADBBJSA-N 0 0 239.403 3.563 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1F ZINC000246017154 325538644 /nfs/dbraw/zinc/53/86/44/325538644.db2.gz ZTLYKGRBQWHJQV-PJXYFTJBSA-N 0 0 247.313 3.509 20 0 BHADRN CC(C)[C@H]1CC[C@H](C(=O)NC2(C)CCC2)CC1 ZINC000246065632 325539655 /nfs/dbraw/zinc/53/96/55/325539655.db2.gz BLBVUYNSHRMEBA-JOCQHMNTSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)C[S@@](=O)[C@H](C)c1ccccc1 ZINC000246070526 388005578 /nfs/dbraw/zinc/00/55/78/388005578.db2.gz HZSUIWJJDSRAKA-YWPYICTPSA-N 0 0 224.369 3.542 20 0 BHADRN CC[C@H](C)C[S@](=O)[C@H](C)c1ccccc1 ZINC000246070530 388005063 /nfs/dbraw/zinc/00/50/63/388005063.db2.gz HZSUIWJJDSRAKA-ZOWXZIJZSA-N 0 0 224.369 3.542 20 0 BHADRN CC[C@H](c1ccccc1)[S@@](=O)C[C@@H](C)CC ZINC000246075712 388006717 /nfs/dbraw/zinc/00/67/17/388006717.db2.gz JPTOZBDLPMIDJP-BJJXKVORSA-N 0 0 238.396 3.933 20 0 BHADRN CC[C@H](c1ccccc1)[S@](=O)C[C@@H](C)CC ZINC000246075719 388006663 /nfs/dbraw/zinc/00/66/63/388006663.db2.gz JPTOZBDLPMIDJP-JGGQBBKZSA-N 0 0 238.396 3.933 20 0 BHADRN CC[C@H](C)C[S@@](=O)[C@H](C)c1ccccc1F ZINC000246083542 388006568 /nfs/dbraw/zinc/00/65/68/388006568.db2.gz LDPXYXBWUXALFB-LYOVBCGYSA-N 0 0 242.359 3.682 20 0 BHADRN CC[C@H](C)C[S@](=O)[C@H](C)c1ccccc1F ZINC000246083549 134876938 /nfs/dbraw/zinc/87/69/38/134876938.db2.gz LDPXYXBWUXALFB-USBNGQNGSA-N 0 0 242.359 3.682 20 0 BHADRN CC[C@H](C)C[S@](=O)[C@H](C)c1cccc(C)c1 ZINC000246102365 388008263 /nfs/dbraw/zinc/00/82/63/388008263.db2.gz QBLPEYVDKIEASD-GHJWDPDVSA-N 0 0 238.396 3.851 20 0 BHADRN CC[C@H](C)C[S@@](=O)[C@H](C)c1cccc(C)c1 ZINC000246102375 388009590 /nfs/dbraw/zinc/00/95/90/388009590.db2.gz QBLPEYVDKIEASD-NORZTCDRSA-N 0 0 238.396 3.851 20 0 BHADRN CCC[C@H](C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000246118188 388618014 /nfs/dbraw/zinc/61/80/14/388618014.db2.gz KPDXOMWZTHQBEE-YNEHKIRRSA-N 0 0 225.376 3.602 20 0 BHADRN C[C@H](O)[C@H](C)S[C@H]1CCCc2ccccc21 ZINC000246124748 388013017 /nfs/dbraw/zinc/01/30/17/388013017.db2.gz BJGZWAMMOLWFON-MJVIPROJSA-N 0 0 236.380 3.567 20 0 BHADRN C[C@@H](S[C@H]1CCCc2ccccc21)[C@H](C)O ZINC000246124770 388012669 /nfs/dbraw/zinc/01/26/69/388012669.db2.gz BJGZWAMMOLWFON-WDMOLILDSA-N 0 0 236.380 3.567 20 0 BHADRN CC[C@H](S[C@@H](C)[C@H](C)O)c1ccccc1 ZINC000246162600 388014596 /nfs/dbraw/zinc/01/45/96/388014596.db2.gz HWFYAKYPWYPMQB-GVXVVHGQSA-N 0 0 224.369 3.640 20 0 BHADRN CC[C@H](S[C@H](C)[C@H](C)O)c1ccccc1 ZINC000246162609 388013448 /nfs/dbraw/zinc/01/34/48/388013448.db2.gz HWFYAKYPWYPMQB-LOWVWBTDSA-N 0 0 224.369 3.640 20 0 BHADRN CC[C@H](S[C@H](C)[C@H](C)O)c1ccc(F)cc1 ZINC000246180311 388622076 /nfs/dbraw/zinc/62/20/76/388622076.db2.gz KNWMYRZEYLQALN-CWSCBRNRSA-N 0 0 242.359 3.779 20 0 BHADRN CC[C@H](S[C@@H](C)[C@H](C)O)c1ccc(F)cc1 ZINC000246180314 325548802 /nfs/dbraw/zinc/54/88/02/325548802.db2.gz KNWMYRZEYLQALN-KWBADKCTSA-N 0 0 242.359 3.779 20 0 BHADRN C[C@H](CCc1ccccc1)S[C@@H](C)[C@H](C)O ZINC000246184659 325548773 /nfs/dbraw/zinc/54/87/73/325548773.db2.gz LGEATNKTAYSSTH-AGIUHOORSA-N 0 0 238.396 3.510 20 0 BHADRN C[C@H](CCc1ccccc1)S[C@H](C)[C@H](C)O ZINC000246184663 325548831 /nfs/dbraw/zinc/54/88/31/325548831.db2.gz LGEATNKTAYSSTH-FRRDWIJNSA-N 0 0 238.396 3.510 20 0 BHADRN C[C@H](O)[C@H](C)S[C@@H](C)c1cc(F)ccc1F ZINC000246191928 388018426 /nfs/dbraw/zinc/01/84/26/388018426.db2.gz MFFKFWOWDDNMJD-CIUDSAMLSA-N 0 0 246.322 3.528 20 0 BHADRN C[C@@H](S[C@@H](C)c1cc(F)ccc1F)[C@H](C)O ZINC000246191933 388019010 /nfs/dbraw/zinc/01/90/10/388019010.db2.gz MFFKFWOWDDNMJD-YIZRAAEISA-N 0 0 246.322 3.528 20 0 BHADRN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC000246193975 325549587 /nfs/dbraw/zinc/54/95/87/325549587.db2.gz WREGMJOVPNJHTN-KFWWJZLASA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC000246193996 388623010 /nfs/dbraw/zinc/62/30/10/388623010.db2.gz WREGMJOVPNJHTN-RBSFLKMASA-N 0 0 249.398 3.674 20 0 BHADRN CCC[C@H](C)[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000246208824 325550095 /nfs/dbraw/zinc/55/00/95/325550095.db2.gz BTXCBJHBCWTIDC-RRFJBIMHSA-N 0 0 249.398 3.770 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000246208830 388623533 /nfs/dbraw/zinc/62/35/33/388623533.db2.gz BTXCBJHBCWTIDC-ZNMIVQPWSA-N 0 0 249.398 3.770 20 0 BHADRN Cc1cccc([C@H](C)S[C@@H](C)[C@H](C)O)c1 ZINC000246231935 134881239 /nfs/dbraw/zinc/88/12/39/134881239.db2.gz SIAUNYOTCYKZIX-SRVKXCTJSA-N 0 0 224.369 3.559 20 0 BHADRN Cc1cccc([C@H](C)S[C@H](C)[C@H](C)O)c1 ZINC000246231940 388023466 /nfs/dbraw/zinc/02/34/66/388023466.db2.gz SIAUNYOTCYKZIX-TUAOUCFPSA-N 0 0 224.369 3.559 20 0 BHADRN CCC[C@H](C)[C@H]1CCCN1C(=O)[C@H](C)C(C)C ZINC000246233251 388624944 /nfs/dbraw/zinc/62/49/44/388624944.db2.gz FKTHXQINBBVPQC-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@H](C)C(C)C ZINC000246233259 388624922 /nfs/dbraw/zinc/62/49/22/388624922.db2.gz FKTHXQINBBVPQC-MJBXVCDLSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](O)[C@H](C)S[C@@H](C)c1ccc(F)c(F)c1 ZINC000246234047 388022443 /nfs/dbraw/zinc/02/24/43/388022443.db2.gz SQNCZZRBRAWIIC-CIUDSAMLSA-N 0 0 246.322 3.528 20 0 BHADRN C[C@@H](S[C@@H](C)c1ccc(F)c(F)c1)[C@H](C)O ZINC000246234057 134881629 /nfs/dbraw/zinc/88/16/29/134881629.db2.gz SQNCZZRBRAWIIC-YIZRAAEISA-N 0 0 246.322 3.528 20 0 BHADRN C[C@H](O)[C@H](C)S[C@@H](C)c1c(F)cccc1F ZINC000246236918 134881267 /nfs/dbraw/zinc/88/12/67/134881267.db2.gz UBKNZTLIQBVJHB-CIUDSAMLSA-N 0 0 246.322 3.528 20 0 BHADRN C[C@@H](S[C@@H](C)c1c(F)cccc1F)[C@H](C)O ZINC000246236924 388022488 /nfs/dbraw/zinc/02/24/88/388022488.db2.gz UBKNZTLIQBVJHB-YIZRAAEISA-N 0 0 246.322 3.528 20 0 BHADRN Cc1ccccc1[C@H](C)S[C@H]1CCO[C@H]1C ZINC000246243863 388625871 /nfs/dbraw/zinc/62/58/71/388625871.db2.gz GKRLCOVFDFOSIA-OBJOEFQTSA-N 0 0 236.380 3.967 20 0 BHADRN Cc1ccccc1[C@H](C)S[C@@H]1CCO[C@H]1C ZINC000246243867 325552907 /nfs/dbraw/zinc/55/29/07/325552907.db2.gz GKRLCOVFDFOSIA-SGMGOOAPSA-N 0 0 236.380 3.967 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000246247690 374230215 /nfs/dbraw/zinc/23/02/15/374230215.db2.gz YGAUSPMNYHCGHV-MCIONIFRSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@@H](S[C@@H](C)c1ccccc1Cl)[C@H](C)O ZINC000246259667 325554240 /nfs/dbraw/zinc/55/42/40/325554240.db2.gz YEQLDJKUSOQAJC-AEJSXWLSSA-N 0 0 244.787 3.904 20 0 BHADRN C[C@H](O)[C@H](C)S[C@@H](C)c1ccccc1Cl ZINC000246259684 388626771 /nfs/dbraw/zinc/62/67/71/388626771.db2.gz YEQLDJKUSOQAJC-GUBZILKMSA-N 0 0 244.787 3.904 20 0 BHADRN 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/nfs/dbraw/zinc/55/77/92/325557792.db2.gz APVHICNEKKBNCK-IGQOVBAYSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246322314 325557590 /nfs/dbraw/zinc/55/75/90/325557590.db2.gz APVHICNEKKBNCK-MQYQWHSLSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000246374285 325560696 /nfs/dbraw/zinc/56/06/96/325560696.db2.gz ALJUQCPLWLLAIP-ITGUQSILSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1cc(C)c(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000246381142 388634854 /nfs/dbraw/zinc/63/48/54/388634854.db2.gz BWGXGAITFAXGBG-WDNDVIMCSA-N 0 0 243.350 3.596 20 0 BHADRN CC(C)[C@@H](C)CC(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000246389103 388634398 /nfs/dbraw/zinc/63/43/98/388634398.db2.gz VTPTUFSGMHFPPG-MCIONIFRSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)[C@@H](C)CC(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000246389111 388634684 /nfs/dbraw/zinc/63/46/84/388634684.db2.gz VTPTUFSGMHFPPG-RDBSUJKOSA-N 0 0 239.403 3.563 20 0 BHADRN 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ZINC000246506350 644591508 /nfs/dbraw/zinc/59/15/08/644591508.db2.gz GFRIYGPBRFRWHQ-UPJWGTAASA-N 0 0 247.338 3.512 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000246508454 325569594 /nfs/dbraw/zinc/56/95/94/325569594.db2.gz SOUKKPIEHOVLDT-IJEWVQPXSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000246508463 388641435 /nfs/dbraw/zinc/64/14/35/388641435.db2.gz SOUKKPIEHOVLDT-OFQRWUPVSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCC1CCC1 ZINC000246515009 325569917 /nfs/dbraw/zinc/56/99/17/325569917.db2.gz UUWVYDDKFBFMJU-BPLDGKMQSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCC1CCC1 ZINC000246515018 388641177 /nfs/dbraw/zinc/64/11/77/388641177.db2.gz UUWVYDDKFBFMJU-VHDGCEQUSA-N 0 0 249.398 3.746 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1[C@H](C)CC[C@H]1C ZINC000246521174 644592122 /nfs/dbraw/zinc/59/21/22/644592122.db2.gz KOTBHIRAFGFENG-BFHYXJOUSA-N 0 0 239.403 3.992 20 0 BHADRN 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ZINC000246664631 388647149 /nfs/dbraw/zinc/64/71/49/388647149.db2.gz ALKXVDRDTVMKFG-BZPMIXESSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@H](C1CC1)N(C(=O)[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000246664650 325575110 /nfs/dbraw/zinc/57/51/10/325575110.db2.gz ALKXVDRDTVMKFG-YRGRVCCFSA-N 0 0 249.398 3.602 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000246678744 325575348 /nfs/dbraw/zinc/57/53/48/325575348.db2.gz DBFSFWSDMRPRHN-PJXYFTJBSA-N 0 0 249.741 3.633 20 0 BHADRN C[C@H](C1CC1)N(C(=O)C[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC000246696791 359157451 /nfs/dbraw/zinc/15/74/51/359157451.db2.gz RRDLOHHEHNNYJV-JHJVBQTASA-N 0 0 249.398 3.602 20 0 BHADRN C[C@H](C1CC1)N(C(=O)C[C@H]1CC[C@@H](C)C1)C1CC1 ZINC000246696806 359157977 /nfs/dbraw/zinc/15/79/77/359157977.db2.gz RRDLOHHEHNNYJV-UPJWGTAASA-N 0 0 249.398 3.602 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000246698178 388649837 /nfs/dbraw/zinc/64/98/37/388649837.db2.gz FAERKWITBSRLRG-FICVDOATSA-N 0 0 243.350 3.795 20 0 BHADRN CC[C@H](c1ccccc1)[S@](=O)[C@H](C)C(C)C ZINC000246717229 359158550 /nfs/dbraw/zinc/15/85/50/359158550.db2.gz DHMGICXWZVDGCC-XNRPHZJLSA-N 0 0 238.396 3.931 20 0 BHADRN CC[C@H](c1ccccc1)[S@@](=O)[C@H](C)C(C)C ZINC000246717241 359158643 /nfs/dbraw/zinc/15/86/43/359158643.db2.gz DHMGICXWZVDGCC-XPKDYRNWSA-N 0 0 238.396 3.931 20 0 BHADRN C[C@@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)C1CCCC1 ZINC000246719740 388650987 /nfs/dbraw/zinc/65/09/87/388650987.db2.gz SYYCRQVBHQJCAD-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)C[C@H]1CC[C@@H](C)C1)C1CCCC1 ZINC000246719746 325576894 /nfs/dbraw/zinc/57/68/94/325576894.db2.gz SYYCRQVBHQJCAD-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H](C)[S@@](=O)[C@H](C)c1ccccc1F ZINC000246720499 134959467 /nfs/dbraw/zinc/95/94/67/134959467.db2.gz DPGUMVMJRLQXRC-LYOVBCGYSA-N 0 0 242.359 3.680 20 0 BHADRN CC(C)[C@H](C)[S@](=O)[C@H](C)c1ccccc1F ZINC000246720506 359159066 /nfs/dbraw/zinc/15/90/66/359159066.db2.gz DPGUMVMJRLQXRC-USBNGQNGSA-N 0 0 242.359 3.680 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC2(C)C)C1 ZINC000246721208 388650688 /nfs/dbraw/zinc/65/06/88/388650688.db2.gz USQVCOQVGDGXOW-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCC2(C)C)C1 ZINC000246721233 388650389 /nfs/dbraw/zinc/65/03/89/388650389.db2.gz USQVCOQVGDGXOW-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000246751400 134960755 /nfs/dbraw/zinc/96/07/55/134960755.db2.gz VMPHQLCXAPVVBA-RFGFWPKPSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CC[C@H](CC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000246751409 359161703 /nfs/dbraw/zinc/16/17/03/359161703.db2.gz VMPHQLCXAPVVBA-SYQHCUMBSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]3CCC[C@H]32)C1 ZINC000246756049 325578377 /nfs/dbraw/zinc/57/83/77/325578377.db2.gz KMJGAGUWGCEMNN-APIJFGDWSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]3CCC[C@H]32)C1 ZINC000246756057 325578534 /nfs/dbraw/zinc/57/85/34/325578534.db2.gz 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ZINC000246814469 325579813 /nfs/dbraw/zinc/57/98/13/325579813.db2.gz KJBYVLJRANAGIH-FICVDOATSA-N 0 0 243.350 3.795 20 0 BHADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000246828053 325580008 /nfs/dbraw/zinc/58/00/08/325580008.db2.gz CUMALKRXEDZMCD-RBSFLKMASA-N 0 0 249.398 3.770 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000246828078 325579969 /nfs/dbraw/zinc/57/99/69/325579969.db2.gz CUMALKRXEDZMCD-RRFJBIMHSA-N 0 0 249.398 3.770 20 0 BHADRN Cc1ccc(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246845371 325580369 /nfs/dbraw/zinc/58/03/69/325580369.db2.gz HSBDDKOZRZOEDR-RBSFLKMASA-N 0 0 245.366 3.611 20 0 BHADRN Cc1ccc(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246845474 388653655 /nfs/dbraw/zinc/65/36/55/388653655.db2.gz HSBDDKOZRZOEDR-RRFJBIMHSA-N 0 0 245.366 3.611 20 0 BHADRN CCCC[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)C1CCC1 ZINC000246851256 325580804 /nfs/dbraw/zinc/58/08/04/325580804.db2.gz FIGSOAKPEXFMON-KKUMJFAQSA-N 0 0 249.398 3.508 20 0 BHADRN CCCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C1CCC1 ZINC000246851268 388654385 /nfs/dbraw/zinc/65/43/85/388654385.db2.gz FIGSOAKPEXFMON-ZNMIVQPWSA-N 0 0 249.398 3.508 20 0 BHADRN Cc1cccc(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000246861490 325580550 /nfs/dbraw/zinc/58/05/50/325580550.db2.gz IUVPCHPCAIZFQO-RBSFLKMASA-N 0 0 245.366 3.611 20 0 BHADRN Cc1cccc(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000246861519 388654276 /nfs/dbraw/zinc/65/42/76/388654276.db2.gz IUVPCHPCAIZFQO-RRFJBIMHSA-N 0 0 245.366 3.611 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000246866378 388653598 /nfs/dbraw/zinc/65/35/98/388653598.db2.gz KVMFWFGGBVPASB-HZSPNIEDSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000246866410 388653997 /nfs/dbraw/zinc/65/39/97/388653997.db2.gz KVMFWFGGBVPASB-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000246904186 350841998 /nfs/dbraw/zinc/84/19/98/350841998.db2.gz MEWPAKXWYUJASK-RFGFWPKPSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000246904211 342931386 /nfs/dbraw/zinc/93/13/86/342931386.db2.gz MEWPAKXWYUJASK-SYQHCUMBSA-N 0 0 237.387 3.602 20 0 BHADRN CCC[C@H](C)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000246920746 359176276 /nfs/dbraw/zinc/17/62/76/359176276.db2.gz LPZXTZMYEWNVDJ-GUTXKFCHSA-N 0 0 245.366 3.642 20 0 BHADRN CCC[C@H](C)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000246920773 134965629 /nfs/dbraw/zinc/96/56/29/134965629.db2.gz LPZXTZMYEWNVDJ-YDHLFZDLSA-N 0 0 245.366 3.642 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@H](C)C(C)C ZINC000246952954 325582548 /nfs/dbraw/zinc/58/25/48/325582548.db2.gz ONGOWTMQVIVIJU-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)C(C)C ZINC000246952983 388655095 /nfs/dbraw/zinc/65/50/95/388655095.db2.gz ONGOWTMQVIVIJU-MGPQQGTHSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)[C@H](C)[S@@](=O)[C@H](C)c1ccccc1 ZINC000246967620 134966308 /nfs/dbraw/zinc/96/63/08/134966308.db2.gz 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BHADRN COc1cc(C)ccc1NC(=O)/C=C/C(C)(C)C ZINC000255681166 632693246 /nfs/dbraw/zinc/69/32/46/632693246.db2.gz VYVGSUYNGPFKPW-CMDGGOBGSA-N 0 0 247.338 3.544 20 0 BHADRN O=C(/C=C\C1CCCCC1)N1CCC2(CCC2)C1 ZINC000255711211 632701899 /nfs/dbraw/zinc/70/18/99/632701899.db2.gz YINUVVHZXRULQE-FPLPWBNLSA-N 0 0 247.382 3.526 20 0 BHADRN C/C=C(/C)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000255714316 632702077 /nfs/dbraw/zinc/70/20/77/632702077.db2.gz YEDJNQNFNQPIEA-SDQBBNPISA-N 0 0 245.366 3.567 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000255715474 632702199 /nfs/dbraw/zinc/70/21/99/632702199.db2.gz NPXZIRKBJYOFPU-BYYKIJDLSA-N 0 0 243.350 3.695 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](CC)c1ccc(C)cc1 ZINC000255715476 632702633 /nfs/dbraw/zinc/70/26/33/632702633.db2.gz NPXZIRKBJYOFPU-UXTOSJAESA-N 0 0 243.350 3.695 20 0 BHADRN C/C=C\c1ccc(OC(=O)C=C(C)C)c(OC)c1 ZINC000255715887 632702570 /nfs/dbraw/zinc/70/25/70/632702570.db2.gz UHNPUEWQXRHYLG-WAYWQWQTSA-N 0 0 246.306 3.600 20 0 BHADRN O=C(/C=C\C1CCCCC1)NCc1cccs1 ZINC000255718151 384962914 /nfs/dbraw/zinc/96/29/14/384962914.db2.gz MMCWJBCPKRLKAB-HJWRWDBZSA-N 0 0 249.379 3.501 20 0 BHADRN COc1ccc(SC/C=C\Cl)cc1 ZINC000255718359 632703468 /nfs/dbraw/zinc/70/34/68/632703468.db2.gz BUGMWLVCWSEEDE-UQCOIBPSSA-N 0 0 214.717 3.540 20 0 BHADRN CC/C=C(/C)C(=O)Nc1ccc2ncsc2c1 ZINC000255720373 632704018 /nfs/dbraw/zinc/70/40/18/632704018.db2.gz URIDKYSADDFGAO-WTKPLQERSA-N 0 0 246.335 3.591 20 0 BHADRN Cl/C=C\CNc1ccccc1Br ZINC000255723106 632707494 /nfs/dbraw/zinc/70/74/94/632707494.db2.gz ACIVDYNXTHZZOY-UTCJRWHESA-N 0 0 246.535 3.614 20 0 BHADRN C/C=C\C[S@@](=O)c1ccc2ccccc2c1 ZINC000255725902 135129971 /nfs/dbraw/zinc/12/99/71/135129971.db2.gz CCSILHJBVIRQRT-RXYHWBRQSA-N 0 0 230.332 3.524 20 0 BHADRN C/C=C\C[S@](=O)c1ccc2ccccc2c1 ZINC000255725904 135130120 /nfs/dbraw/zinc/13/01/20/135130120.db2.gz CCSILHJBVIRQRT-YPQKKHBXSA-N 0 0 230.332 3.524 20 0 BHADRN CC(C)(C)c1cnc(SC/C=C\Cl)o1 ZINC000255736429 632710818 /nfs/dbraw/zinc/71/08/18/632710818.db2.gz FYIPCQGIRATTHF-PLNGDYQASA-N 0 0 231.748 3.817 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc2ccccc2c1 ZINC000255758117 632715656 /nfs/dbraw/zinc/71/56/56/632715656.db2.gz BZFDXXWARSSNAF-JYOAFUTRSA-N 0 0 225.291 3.745 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000255841207 632752916 /nfs/dbraw/zinc/75/29/16/632752916.db2.gz FICBXQGJACVKSL-BAQGIRSFSA-N 0 0 243.228 3.610 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc(OCCC)cc1C ZINC000255841468 632752796 /nfs/dbraw/zinc/75/27/96/632752796.db2.gz CGIZLQJONOGJIE-WDZFZDKYSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C=C(/C)c1nc(C2CCCC2)no1 ZINC000255841799 322941010 /nfs/dbraw/zinc/94/10/10/322941010.db2.gz GUDOTHVQHBVORQ-TWGQIWQCSA-N 0 0 206.289 3.541 20 0 BHADRN C/C=C(/C)C(=O)Nc1cccc(Cl)c1Cl ZINC000255842385 632752417 /nfs/dbraw/zinc/75/24/17/632752417.db2.gz IPBYARBFZMWMRS-CLTKARDFSA-N 0 0 244.121 3.898 20 0 BHADRN CC(C)N(C(=O)/C=C\C1CCCCC1)C1CC1 ZINC000255847535 632756389 /nfs/dbraw/zinc/75/63/89/632756389.db2.gz SWXOXQWRPJUITB-FLIBITNWSA-N 0 0 235.371 3.522 20 0 BHADRN C/C=C\C[S@](=O)[C@H](C)c1cccc(Cl)c1 ZINC000255849335 135097365 /nfs/dbraw/zinc/09/73/65/135097365.db2.gz ZAEXDZXBBNLATQ-NCBBJFFSSA-N 0 0 242.771 3.726 20 0 BHADRN C/C=C\C[S@](=O)[C@@H](C)c1cccc(Cl)c1 ZINC000255849387 135130595 /nfs/dbraw/zinc/13/05/95/135130595.db2.gz ZAEXDZXBBNLATQ-RHWQXYGTSA-N 0 0 242.771 3.726 20 0 BHADRN C/C=C\CSCC(=O)Nc1ccc(C)c(C)c1 ZINC000255871427 135130493 /nfs/dbraw/zinc/13/04/93/135130493.db2.gz RRJMWKHLRKDCLW-PLNGDYQASA-N 0 0 249.379 3.551 20 0 BHADRN C/C=C(/C)C(=O)Oc1ccccc1SCC ZINC000255871947 632837256 /nfs/dbraw/zinc/83/72/56/632837256.db2.gz DECDKYRPNAHARW-WMZJFQQLSA-N 0 0 236.336 3.670 20 0 BHADRN C/C(=C\c1nc(-c2cccs2)no1)C1CC1 ZINC000255882223 370615829 /nfs/dbraw/zinc/61/58/29/370615829.db2.gz UMTRYACWPPONMY-BQYQJAHWSA-N 0 0 232.308 3.611 20 0 BHADRN Oc1ccc(/C=C\c2nc3ccccc3o2)cc1 ZINC000255886096 322941705 /nfs/dbraw/zinc/94/17/05/322941705.db2.gz CQIRTPGXUQOCPM-YFHOEESVSA-N 0 0 237.258 3.704 20 0 BHADRN Cc1ccc(/C=C\c2nc(C3CCCC3)no2)o1 ZINC000255889088 385115900 /nfs/dbraw/zinc/11/59/00/385115900.db2.gz ULUGWGJVMQXKFK-HJWRWDBZSA-N 0 0 244.294 3.799 20 0 BHADRN C/C=C\CS[C@H](C)c1nc(C(C)C)no1 ZINC000255891161 135130556 /nfs/dbraw/zinc/13/05/56/135130556.db2.gz YVPGWQMFMYAVCS-SSJHQANKSA-N 0 0 226.345 3.563 20 0 BHADRN C/C=C\CS[C@@H](C)c1nc(C(C)C)no1 ZINC000255891162 135130759 /nfs/dbraw/zinc/13/07/59/135130759.db2.gz YVPGWQMFMYAVCS-UDIARPCQSA-N 0 0 226.345 3.563 20 0 BHADRN CC1(NC(=O)CC/C=C\c2ccccc2)CCC1 ZINC000255892744 385119781 /nfs/dbraw/zinc/11/97/81/385119781.db2.gz FMVATIGIDGEHJB-YHYXMXQVSA-N 0 0 243.350 3.539 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cccc(SCC)c1 ZINC000255893449 632984185 /nfs/dbraw/zinc/98/41/85/632984185.db2.gz XFSHACCPRMVKGQ-IYNMRSRQSA-N 0 0 247.363 3.869 20 0 BHADRN COc1ccc(Cl)c(NC/C=C\Cl)c1 ZINC000255896709 642446410 /nfs/dbraw/zinc/44/64/10/642446410.db2.gz ZVPQSYVKKZBSDI-DJWKRKHSSA-N 0 0 232.110 3.513 20 0 BHADRN C[C@@H]1OCC[C@H]1SC/C=C\c1ccccc1 ZINC000255897049 385123631 /nfs/dbraw/zinc/12/36/31/385123631.db2.gz BGSBMNPTYINQLV-IOXUZPACSA-N 0 0 234.364 3.610 20 0 BHADRN C[C@@H]1OCC[C@@H]1SC/C=C\c1ccccc1 ZINC000255897050 322942002 /nfs/dbraw/zinc/94/20/02/322942002.db2.gz BGSBMNPTYINQLV-PRHFBSNISA-N 0 0 234.364 3.610 20 0 BHADRN O=C(/C=C\C1CCCCC1)Nc1ccsc1 ZINC000255906347 633012799 /nfs/dbraw/zinc/01/27/99/633012799.db2.gz MUEAOOZQYAJTLN-SREVYHEPSA-N 0 0 235.352 3.823 20 0 BHADRN C/C=C\CSCC(=O)Nc1cc(C)cc(C)c1 ZINC000255908397 135130747 /nfs/dbraw/zinc/13/07/47/135130747.db2.gz UXOQFKBCKXYMOF-PLNGDYQASA-N 0 0 249.379 3.551 20 0 BHADRN CCCCCNC(=O)C/C=C\c1ccc(F)cc1 ZINC000255911948 322942767 /nfs/dbraw/zinc/94/27/67/322942767.db2.gz AHQHFBFERWOIRI-WAYWQWQTSA-N 0 0 249.329 3.535 20 0 BHADRN Cc1cnc(SC/C=C\c2ccccc2)nc1 ZINC000255917685 370621683 /nfs/dbraw/zinc/62/16/83/370621683.db2.gz CCWITQHHEPPXLT-YVMONPNESA-N 0 0 242.347 3.591 20 0 BHADRN C[C@H](OC(=O)c1cccc(F)c1)c1ccccc1 ZINC000255925422 633048414 /nfs/dbraw/zinc/04/84/14/633048414.db2.gz CHDGWJZBMGVTDD-NSHDSACASA-N 0 0 244.265 3.744 20 0 BHADRN CCCCCC(=O)OCc1ccccc1Cl ZINC000255925458 633048718 /nfs/dbraw/zinc/04/87/18/633048718.db2.gz FPGPVVGPYWVFHR-UHFFFAOYSA-N 0 0 240.730 3.964 20 0 BHADRN Fc1ccccc1SCCOc1ccccc1 ZINC000255925669 385207191 /nfs/dbraw/zinc/20/71/91/385207191.db2.gz RKHZLJHHZMSAMP-UHFFFAOYSA-N 0 0 248.322 3.997 20 0 BHADRN CC(C)(C)CC(=O)OCc1ccccc1Cl ZINC000255925754 633047429 /nfs/dbraw/zinc/04/74/29/633047429.db2.gz XRVGSKMVFWROAT-UHFFFAOYSA-N 0 0 240.730 3.819 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000255926084 633047370 /nfs/dbraw/zinc/04/73/70/633047370.db2.gz DGLYNXOOXQQQMR-FZMZJTMJSA-N 0 0 246.350 3.683 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000255926085 633048124 /nfs/dbraw/zinc/04/81/24/633048124.db2.gz DGLYNXOOXQQQMR-RISCZKNCSA-N 0 0 246.350 3.683 20 0 BHADRN C[C@H]1C[C@H]1C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000255926086 633048572 /nfs/dbraw/zinc/04/85/72/633048572.db2.gz DGLYNXOOXQQQMR-SMDDNHRTSA-N 0 0 246.350 3.683 20 0 BHADRN Cc1cccc(C(=O)O[C@@H](C)c2ccccc2)c1 ZINC000255926300 633046037 /nfs/dbraw/zinc/04/60/37/633046037.db2.gz YNKJQHGRZLHFNN-ZDUSSCGKSA-N 0 0 240.302 3.913 20 0 BHADRN C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccccc1Cl ZINC000255926321 633045933 /nfs/dbraw/zinc/04/59/33/633045933.db2.gz ZZPHHFHLQDPCBR-ATZCPNFKSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@H](OC(=O)[C@H]1C[C@@H]1C)c1ccccc1Cl ZINC000255926322 633045546 /nfs/dbraw/zinc/04/55/46/633045546.db2.gz ZZPHHFHLQDPCBR-QXEWZRGKSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@H](OC(=O)[C@@H]1C[C@H]1C)c1ccccc1Cl ZINC000255926323 633046377 /nfs/dbraw/zinc/04/63/77/633046377.db2.gz ZZPHHFHLQDPCBR-WCABBAIRSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@H](OC(=O)[C@H]1C[C@H]1C)c1ccccc1Cl ZINC000255926324 633046205 /nfs/dbraw/zinc/04/62/05/633046205.db2.gz ZZPHHFHLQDPCBR-YWVKMMECSA-N 0 0 238.714 3.600 20 0 BHADRN Fc1ccc(SCCOc2ccccc2)cc1 ZINC000255926472 385208832 /nfs/dbraw/zinc/20/88/32/385208832.db2.gz JJULJXOPMUSLHO-UHFFFAOYSA-N 0 0 248.322 3.997 20 0 BHADRN CC(C)CCC(=O)OCc1ccccc1Cl ZINC000255926814 633047058 /nfs/dbraw/zinc/04/70/58/633047058.db2.gz JHSBNRFGTJRSDS-UHFFFAOYSA-N 0 0 240.730 3.819 20 0 BHADRN CCCCSCCOc1cccc(C)c1 ZINC000255930495 385220236 /nfs/dbraw/zinc/22/02/36/385220236.db2.gz AHFIEWDOPHSZNI-UHFFFAOYSA-N 0 0 224.369 3.907 20 0 BHADRN CCCCSCCOc1ccccc1C ZINC000255930572 636782007 /nfs/dbraw/zinc/78/20/07/636782007.db2.gz CXENWRBBGFBFNO-UHFFFAOYSA-N 0 0 224.369 3.907 20 0 BHADRN CCCC(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000255930593 633056694 /nfs/dbraw/zinc/05/66/94/633056694.db2.gz FIQJRMSPTXSRPC-UHFFFAOYSA-N 0 0 234.339 3.827 20 0 BHADRN CCCCSCCOc1ccccc1 ZINC000255930972 490267942 /nfs/dbraw/zinc/26/79/42/490267942.db2.gz QIUMLVDFGGFDNZ-UHFFFAOYSA-N 0 0 210.342 3.599 20 0 BHADRN CCN(CC)C(=S)SCC1CCCCC1 ZINC000255932615 633058109 /nfs/dbraw/zinc/05/81/09/633058109.db2.gz FBSFXANCGSUHMZ-UHFFFAOYSA-N 0 0 245.457 3.927 20 0 BHADRN Cc1ccccc1OCCSCC(C)C ZINC000255932715 633058039 /nfs/dbraw/zinc/05/80/39/633058039.db2.gz LGPCNBDKLIPYTL-UHFFFAOYSA-N 0 0 224.369 3.763 20 0 BHADRN CCOc1ccccc1OCc1cccc(F)c1 ZINC000255933509 322943727 /nfs/dbraw/zinc/94/37/27/322943727.db2.gz BNUTVRUASICDNB-UHFFFAOYSA-N 0 0 246.281 3.803 20 0 BHADRN CCOc1ccc(OCc2ccc(F)cc2)cc1 ZINC000255933610 487976018 /nfs/dbraw/zinc/97/60/18/487976018.db2.gz FARBBFFOTHPJJD-UHFFFAOYSA-N 0 0 246.281 3.803 20 0 BHADRN CCOc1ccc(OCc2ccccc2F)cc1 ZINC000255933694 517732808 /nfs/dbraw/zinc/73/28/08/517732808.db2.gz GOOLGOWAEKYKJR-UHFFFAOYSA-N 0 0 246.281 3.803 20 0 BHADRN CC(C)(C)c1ccc(COc2ccccn2)cc1 ZINC000255933776 385220498 /nfs/dbraw/zinc/22/04/98/385220498.db2.gz BAATVZQROJCIFP-UHFFFAOYSA-N 0 0 241.334 3.958 20 0 BHADRN CCOc1ccc(OCc2ccc(C)cc2)cc1 ZINC000255933928 487976778 /nfs/dbraw/zinc/97/67/78/487976778.db2.gz ISUVPGCEPKOTFD-UHFFFAOYSA-N 0 0 242.318 3.973 20 0 BHADRN CCOc1ccc(OCc2cccc(F)c2)cc1 ZINC000255933961 487976577 /nfs/dbraw/zinc/97/65/77/487976577.db2.gz JTYGJBSXLGZQPX-UHFFFAOYSA-N 0 0 246.281 3.803 20 0 BHADRN Cc1ccc(C(=O)O[C@H](C)c2ccccc2)s1 ZINC000255934126 633057856 /nfs/dbraw/zinc/05/78/56/633057856.db2.gz QLMONHXLIPGCTA-LLVKDONJSA-N 0 0 246.331 3.975 20 0 BHADRN Cc1ccc(C(=O)O[C@@H](C)c2ccccc2)s1 ZINC000255934127 633058252 /nfs/dbraw/zinc/05/82/52/633058252.db2.gz QLMONHXLIPGCTA-NSHDSACASA-N 0 0 246.331 3.975 20 0 BHADRN CCOc1ccccc1OCc1ccc(C)cc1 ZINC000255934175 487976584 /nfs/dbraw/zinc/97/65/84/487976584.db2.gz JZUKEOFLRGYXMH-UHFFFAOYSA-N 0 0 242.318 3.973 20 0 BHADRN COc1ccccc1OCc1ccc(C)cc1 ZINC000255934313 322943772 /nfs/dbraw/zinc/94/37/72/322943772.db2.gz JWLNQHDABBTXAC-UHFFFAOYSA-N 0 0 228.291 3.583 20 0 BHADRN Cc1ccccc1OCCOc1cccc(F)c1 ZINC000255934320 322943776 /nfs/dbraw/zinc/94/37/76/322943776.db2.gz JXZFYYXLASQSPL-UHFFFAOYSA-N 0 0 246.281 3.592 20 0 BHADRN COc1ccccc1OCc1cc(C)ccc1C ZINC000255934807 370623653 /nfs/dbraw/zinc/62/36/53/370623653.db2.gz RCCUDYJFJLDQJL-UHFFFAOYSA-N 0 0 242.318 3.891 20 0 BHADRN COc1ccccc1OCc1ccccc1Cl ZINC000255934980 359336190 /nfs/dbraw/zinc/33/61/90/359336190.db2.gz SITSCIUSJSDQBB-UHFFFAOYSA-N 0 0 248.709 3.928 20 0 BHADRN Fc1cccc(COc2ccc(F)c(F)c2)c1 ZINC000255935007 487975897 /nfs/dbraw/zinc/97/58/97/487975897.db2.gz SXPQCNSKXKAYFU-UHFFFAOYSA-N 0 0 238.208 3.683 20 0 BHADRN Cc1ccc(COc2ccc(F)c(F)c2)cc1 ZINC000255935139 487976049 /nfs/dbraw/zinc/97/60/49/487976049.db2.gz VNYMSKOZLICADQ-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN CCOc1ccc(OCc2ccccc2C)cc1 ZINC000255936060 487975922 /nfs/dbraw/zinc/97/59/22/487975922.db2.gz XYEQOJJDIVJARG-UHFFFAOYSA-N 0 0 242.318 3.973 20 0 BHADRN Fc1ccccc1COc1ccc2c(c1)CCC2 ZINC000255936061 487975928 /nfs/dbraw/zinc/97/59/28/487975928.db2.gz XYNHNGFHCCQMJI-UHFFFAOYSA-N 0 0 242.293 3.893 20 0 BHADRN Cc1ccsc1C(=O)Oc1ccc(C)cc1C ZINC000255938333 636782200 /nfs/dbraw/zinc/78/22/00/636782200.db2.gz FFWGAFZVXTVNDR-UHFFFAOYSA-N 0 0 246.331 3.893 20 0 BHADRN Cc1ccc(OC(=O)Cc2cccs2)c(C)c1 ZINC000255938355 636783055 /nfs/dbraw/zinc/78/30/55/636783055.db2.gz GABVTXFXGOGKFW-UHFFFAOYSA-N 0 0 246.331 3.513 20 0 BHADRN Cc1ccc(OC(=O)CC2CCCC2)c(C)c1 ZINC000255938360 636783270 /nfs/dbraw/zinc/78/32/70/636783270.db2.gz GHVPXXZVPXLEBQ-UHFFFAOYSA-N 0 0 232.323 3.789 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1ccc(C)cc1C ZINC000255938415 636782769 /nfs/dbraw/zinc/78/27/69/636782769.db2.gz HCQMHFYHHPMARV-LLVKDONJSA-N 0 0 220.312 3.645 20 0 BHADRN CCC[C@H](C)C(=O)Oc1ccc(C)cc1C ZINC000255938417 636782438 /nfs/dbraw/zinc/78/24/38/636782438.db2.gz HCQMHFYHHPMARV-NSHDSACASA-N 0 0 220.312 3.645 20 0 BHADRN Cc1cc(C(=O)Oc2ccc(C)cc2C)c(C)o1 ZINC000255938423 636783040 /nfs/dbraw/zinc/78/30/40/636783040.db2.gz HLAHGCITPPWMOA-UHFFFAOYSA-N 0 0 244.290 3.732 20 0 BHADRN C[C@@H](Sc1nncs1)c1ccc(F)cc1 ZINC000255938919 135130708 /nfs/dbraw/zinc/13/07/08/135130708.db2.gz PARIOVHSJJLDML-SSDOTTSWSA-N 0 0 240.328 3.531 20 0 BHADRN C[C@H](Sc1nncs1)c1ccc(F)cc1 ZINC000255938920 135130464 /nfs/dbraw/zinc/13/04/64/135130464.db2.gz PARIOVHSJJLDML-ZETCQYMHSA-N 0 0 240.328 3.531 20 0 BHADRN Cc1ccc(OC(=O)[C@@H]2CC=CCC2)c(C)c1 ZINC000255939966 636782498 /nfs/dbraw/zinc/78/24/98/636782498.db2.gz SXBYJMRMHMOEDN-CYBMUJFWSA-N 0 0 230.307 3.565 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2CC=CCC2)c(C)c1 ZINC000255939969 633065466 /nfs/dbraw/zinc/06/54/66/633065466.db2.gz SXBYJMRMHMOEDN-ZDUSSCGKSA-N 0 0 230.307 3.565 20 0 BHADRN Cc1cc(OC(=O)CC(C)C)ccc1Cl ZINC000255940043 636782801 /nfs/dbraw/zinc/78/28/01/636782801.db2.gz FIEHYAHPRJBQMS-UHFFFAOYSA-N 0 0 226.703 3.600 20 0 BHADRN Cc1cc(OC(=O)CCC(C)C)ccc1Cl ZINC000255940234 636783046 /nfs/dbraw/zinc/78/30/46/636783046.db2.gz FVJPKEKGKZAAMW-UHFFFAOYSA-N 0 0 240.730 3.990 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1ccc(Cl)cc1C ZINC000255940682 633064297 /nfs/dbraw/zinc/06/42/97/633064297.db2.gz IOCRGIIZXNJLLC-SECBINFHSA-N 0 0 240.730 3.990 20 0 BHADRN CCC[C@H](C)C(=O)Oc1ccc(Cl)cc1C ZINC000255940683 633065311 /nfs/dbraw/zinc/06/53/11/633065311.db2.gz IOCRGIIZXNJLLC-VIFPVBQESA-N 0 0 240.730 3.990 20 0 BHADRN Cc1cc(OC(=O)C2CCCC2)ccc1Cl ZINC000255940746 636783107 /nfs/dbraw/zinc/78/31/07/636783107.db2.gz JCILWZHRGXQVEX-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)CCC(C)C ZINC000255941405 636781693 /nfs/dbraw/zinc/78/16/93/636781693.db2.gz RAPPWVXZUMOCGU-UHFFFAOYSA-N 0 0 240.730 3.990 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1ccc(Cl)c(C)c1 ZINC000255941566 636781879 /nfs/dbraw/zinc/78/18/79/636781879.db2.gz SYGQHOOENWSGAM-SECBINFHSA-N 0 0 240.730 3.990 20 0 BHADRN CCC[C@H](C)C(=O)Oc1ccc(Cl)c(C)c1 ZINC000255941567 636782762 /nfs/dbraw/zinc/78/27/62/636782762.db2.gz SYGQHOOENWSGAM-VIFPVBQESA-N 0 0 240.730 3.990 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)C1CCCC1 ZINC000255941765 636782123 /nfs/dbraw/zinc/78/21/23/636782123.db2.gz WBVCWSZPSOYLLG-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1cc(OC(=O)CC(C)(C)C)ccc1Cl ZINC000255941796 636782254 /nfs/dbraw/zinc/78/22/54/636782254.db2.gz WXUITBIQCHYJRK-UHFFFAOYSA-N 0 0 240.730 3.990 20 0 BHADRN Cc1ccsc1C(=O)Oc1ccc(C)cc1 ZINC000255942017 633064628 /nfs/dbraw/zinc/06/46/28/633064628.db2.gz AWGWISKMBJNWDR-UHFFFAOYSA-N 0 0 232.304 3.584 20 0 BHADRN Cc1cccc(OC(=O)/C=C/c2cccs2)c1 ZINC000255942190 633064467 /nfs/dbraw/zinc/06/44/67/633064467.db2.gz DJQURXUUVFTOCI-BQYQJAHWSA-N 0 0 244.315 3.675 20 0 BHADRN Cc1ccc(C(=O)Oc2ccc(C)cc2)s1 ZINC000255942284 633064723 /nfs/dbraw/zinc/06/47/23/633064723.db2.gz HJGDBHFGVXLIHV-UHFFFAOYSA-N 0 0 232.304 3.584 20 0 BHADRN Cc1cccc(OC(=O)CC2CCCCC2)c1 ZINC000255942609 633065140 /nfs/dbraw/zinc/06/51/40/633065140.db2.gz RCVHUAZXNWDHDL-UHFFFAOYSA-N 0 0 232.323 3.871 20 0 BHADRN Cc1ccsc1C(=O)Oc1cccc(C)c1 ZINC000255942654 636782572 /nfs/dbraw/zinc/78/25/72/636782572.db2.gz SNUYIFLKKFLWFR-UHFFFAOYSA-N 0 0 232.304 3.584 20 0 BHADRN Cc1cc(C(=O)Oc2cccc(C)c2)sc1C ZINC000255942828 633064896 /nfs/dbraw/zinc/06/48/96/633064896.db2.gz VAURTVOBHCHUOP-UHFFFAOYSA-N 0 0 246.331 3.893 20 0 BHADRN Cc1cc(C(=O)Oc2ccc(C)cc2)sc1C ZINC000255942840 633065604 /nfs/dbraw/zinc/06/56/04/633065604.db2.gz VQFOYAZWCGKRMC-UHFFFAOYSA-N 0 0 246.331 3.893 20 0 BHADRN Cc1ccc2c(c1)CCCN2C(=O)CCC(C)C ZINC000255946193 633064336 /nfs/dbraw/zinc/06/43/36/633064336.db2.gz CEXJHTLZDULFEE-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN CCCCCC(=O)N1CCCc2cc(C)ccc21 ZINC000255946234 636782701 /nfs/dbraw/zinc/78/27/01/636782701.db2.gz DDMVNNUYTNENDO-UHFFFAOYSA-N 0 0 245.366 3.855 20 0 BHADRN CCC(CC)C(=O)N1CCCc2cc(C)ccc21 ZINC000255947506 636783657 /nfs/dbraw/zinc/78/36/57/636783657.db2.gz UXBIUNMCMKKPBX-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)C2CCCC2)c1 ZINC000255949113 636783734 /nfs/dbraw/zinc/78/37/34/636783734.db2.gz GSRSEUAFRKQEOD-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CCCCCC(=O)Nc1ccc2c(c1)CCC2 ZINC000255949130 384721585 /nfs/dbraw/zinc/72/15/85/384721585.db2.gz HZTFKWDNPRYPME-UHFFFAOYSA-N 0 0 231.339 3.694 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)CCC(C)C)c1 ZINC000255949280 633069296 /nfs/dbraw/zinc/06/92/96/633069296.db2.gz PDNIZYTZAMBHMI-UHFFFAOYSA-N 0 0 240.730 3.990 20 0 BHADRN CCC[C@H](C)C(=O)Oc1cc(C)ccc1Cl ZINC000255949551 633070230 /nfs/dbraw/zinc/07/02/30/633070230.db2.gz XLSDSMGQFOKDEP-JTQLQIEISA-N 0 0 240.730 3.990 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1cc(C)ccc1Cl ZINC000255949552 633070563 /nfs/dbraw/zinc/07/05/63/633070563.db2.gz XLSDSMGQFOKDEP-SNVBAGLBSA-N 0 0 240.730 3.990 20 0 BHADRN CCCOc1ccc(OC(=O)C2CCCC2)cc1 ZINC000255949657 636783754 /nfs/dbraw/zinc/78/37/54/636783754.db2.gz DIBXGNGZCDGRFZ-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN CCCCC(=O)Oc1ccc(OCCC)cc1 ZINC000255950609 633069265 /nfs/dbraw/zinc/06/92/65/633069265.db2.gz QZQYKCSNIFWPOW-UHFFFAOYSA-N 0 0 236.311 3.571 20 0 BHADRN CSCCC(=O)Nc1cccc(C(C)C)c1 ZINC000255950824 385747926 /nfs/dbraw/zinc/74/79/26/385747926.db2.gz HCPNXXLLWIVLHR-UHFFFAOYSA-N 0 0 237.368 3.502 20 0 BHADRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1ccccc1 ZINC000255956987 322944739 /nfs/dbraw/zinc/94/47/39/322944739.db2.gz OFSJFYSVDNAGBS-IMRBUKKESA-N 0 0 246.354 3.633 20 0 BHADRN CCC[C@H](OC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000255960708 633076361 /nfs/dbraw/zinc/07/63/61/633076361.db2.gz VXFGTPYCODYWDN-BNOWGMLFSA-N 0 0 232.323 3.727 20 0 BHADRN CCC[C@H](OC(=O)[C@H]1C[C@H]1C)c1ccccc1 ZINC000255960709 633076866 /nfs/dbraw/zinc/07/68/66/633076866.db2.gz VXFGTPYCODYWDN-XBFCOCLRSA-N 0 0 232.323 3.727 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[C@H]1C ZINC000255992759 343777020 /nfs/dbraw/zinc/77/70/20/343777020.db2.gz OPFKZNFXOYNUSY-MCIONIFRSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[C@H]1C ZINC000255992760 343776905 /nfs/dbraw/zinc/77/69/05/343776905.db2.gz OPFKZNFXOYNUSY-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000255999127 177131365 /nfs/dbraw/zinc/13/13/65/177131365.db2.gz RGZIVQRTJRMVAQ-RFGFWPKPSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000255999128 176074763 /nfs/dbraw/zinc/07/47/63/176074763.db2.gz RGZIVQRTJRMVAQ-SYQHCUMBSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)C(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000256081043 633120539 /nfs/dbraw/zinc/12/05/39/633120539.db2.gz KWWPABFNYJNITP-FRRDWIJNSA-N 0 0 224.344 3.545 20 0 BHADRN COc1ccc(NN=C(C)c2ccccc2)cc1 ZINC000256170453 633131060 /nfs/dbraw/zinc/13/10/60/633131060.db2.gz PWAQJNQENBNBRX-UHFFFAOYSA-N 0 0 240.306 3.531 20 0 BHADRN CC(N=Nc1ccccc1)C1CCCC1 ZINC000256276159 633136980 /nfs/dbraw/zinc/13/69/80/633136980.db2.gz HLTYCMUZMFTALF-UHFFFAOYSA-N 0 0 202.301 3.665 20 0 BHADRN CC(=NNc1ccccc1)c1ccc(C)cc1 ZINC000256533603 633156896 /nfs/dbraw/zinc/15/68/96/633156896.db2.gz MHDFJQMQUMBFQO-UHFFFAOYSA-N 0 0 224.307 3.831 20 0 BHADRN CCOC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000257833375 322873923 /nfs/dbraw/zinc/87/39/23/322873923.db2.gz LCEHPCRHYMALHG-SSDOTTSWSA-N 0 0 247.121 3.660 20 0 BHADRN CCOC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000257833378 322874099 /nfs/dbraw/zinc/87/40/99/322874099.db2.gz LCEHPCRHYMALHG-ZETCQYMHSA-N 0 0 247.121 3.660 20 0 BHADRN Clc1ccc(Oc2nccs2)cc1 ZINC000257857423 634511921 /nfs/dbraw/zinc/51/19/21/634511921.db2.gz DLJAAWPKOWRLNO-UHFFFAOYSA-N 0 0 211.673 3.589 20 0 BHADRN FC(F)(F)c1cccc(Oc2nccs2)c1 ZINC000257906554 634523212 /nfs/dbraw/zinc/52/32/12/634523212.db2.gz PEAMCVAEZBSDMN-UHFFFAOYSA-N 0 0 245.225 3.954 20 0 BHADRN Clc1cccc(Oc2nccs2)c1 ZINC000257927420 634524820 /nfs/dbraw/zinc/52/48/20/634524820.db2.gz SMQKPYBJMNJYEO-UHFFFAOYSA-N 0 0 211.673 3.589 20 0 BHADRN CCSCc1ccc(Br)c(F)c1 ZINC000258018890 322873901 /nfs/dbraw/zinc/87/39/01/322873901.db2.gz BPZYKIDDHHYZIE-UHFFFAOYSA-N 0 0 249.148 3.841 20 0 BHADRN CSCc1ccc(Br)c(C)c1 ZINC000258079553 322874363 /nfs/dbraw/zinc/87/43/63/322874363.db2.gz ICIGCFKAEYFOAR-UHFFFAOYSA-N 0 0 231.158 3.621 20 0 BHADRN CSCc1ccc(C)c(Br)c1 ZINC000258153171 384933317 /nfs/dbraw/zinc/93/33/17/384933317.db2.gz PQRAWMQCIDLSSV-UHFFFAOYSA-N 0 0 231.158 3.621 20 0 BHADRN CS[C@H](C)c1ccccc1Br ZINC000258251034 384932315 /nfs/dbraw/zinc/93/23/15/384932315.db2.gz AYWLADWXQYCRGN-SSDOTTSWSA-N 0 0 231.158 3.873 20 0 BHADRN CS[C@@H](C)c1ccccc1Br ZINC000258251077 518174797 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/nfs/dbraw/zinc/35/31/44/169353144.db2.gz PKIVGNLVCQGULO-GFCCVEGCSA-N 0 0 249.354 3.849 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccccc1OC(C)C ZINC000264910157 386283767 /nfs/dbraw/zinc/28/37/67/386283767.db2.gz PKIVGNLVCQGULO-LBPRGKRZSA-N 0 0 249.354 3.849 20 0 BHADRN CN(CC(C)(C)C)C(=O)c1coc2ccccc12 ZINC000264944087 386287142 /nfs/dbraw/zinc/28/71/42/386287142.db2.gz URAZWZGYIUMDLQ-UHFFFAOYSA-N 0 0 245.322 3.551 20 0 BHADRN c1cncc(-c2noc(C3CCCCCC3)n2)c1 ZINC000264951867 386853450 /nfs/dbraw/zinc/85/34/50/386853450.db2.gz ACBOKGHXSQKSNQ-UHFFFAOYSA-N 0 0 243.310 3.569 20 0 BHADRN CC1(C(=O)Nc2ccc3[nH]ccc3c2)CCCC1 ZINC000264971207 386289555 /nfs/dbraw/zinc/28/95/55/386289555.db2.gz GYZQKQDLWAAHNA-UHFFFAOYSA-N 0 0 242.322 3.687 20 0 BHADRN Cc1ccc(SCc2ccon2)c(C)c1 ZINC000264971972 188021525 /nfs/dbraw/zinc/02/15/25/188021525.db2.gz DLCXSGLZKJNVHJ-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN CCc1cnccc1NC(=O)CCC1CCCC1 ZINC000264994039 351260286 /nfs/dbraw/zinc/26/02/86/351260286.db2.gz 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QEMGVEBWUZYLIV-VIFPVBQESA-N 0 0 230.760 3.517 20 0 BHADRN C[C@@H](SCCCO)c1ccccc1Cl ZINC000265013268 176008380 /nfs/dbraw/zinc/00/83/80/176008380.db2.gz QQUSGXSHBNQMJO-SECBINFHSA-N 0 0 230.760 3.517 20 0 BHADRN C[C@H](SCCCO)c1ccccc1Cl ZINC000265013271 177026928 /nfs/dbraw/zinc/02/69/28/177026928.db2.gz QQUSGXSHBNQMJO-VIFPVBQESA-N 0 0 230.760 3.517 20 0 BHADRN COCCCCSc1ccc2ccccc2n1 ZINC000265028623 174207874 /nfs/dbraw/zinc/20/78/74/174207874.db2.gz SMVSVMYVNMVILI-UHFFFAOYSA-N 0 0 247.363 3.754 20 0 BHADRN CCC(C)(C)N(C)C(=O)CCCc1ccccc1 ZINC000265032301 168284005 /nfs/dbraw/zinc/28/40/05/168284005.db2.gz UDAVBGOYNQLHOR-UHFFFAOYSA-N 0 0 247.382 3.656 20 0 BHADRN CCC(C)(C)N(C)C(=O)c1cc(C)cc(C)c1 ZINC000265032308 168284934 /nfs/dbraw/zinc/28/49/34/168284934.db2.gz UDEWKBYTSMFIKC-UHFFFAOYSA-N 0 0 233.355 3.564 20 0 BHADRN O=C(CC1CCCC1)Nc1ccc2[nH]ccc2c1 ZINC000265033703 188194795 /nfs/dbraw/zinc/19/47/95/188194795.db2.gz PAJNLVXSSJNOER-UHFFFAOYSA-N 0 0 242.322 3.687 20 0 BHADRN CC(C)CCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000265044660 386298825 /nfs/dbraw/zinc/29/88/25/386298825.db2.gz QRJGOPKXDCLIIC-UHFFFAOYSA-N 0 0 230.311 3.543 20 0 BHADRN CCc1cnccc1NC(=O)CC1CCCCC1 ZINC000265061909 351262433 /nfs/dbraw/zinc/26/24/33/351262433.db2.gz RAFYDBCMVZBAJF-UHFFFAOYSA-N 0 0 246.354 3.553 20 0 BHADRN CCSc1cccc(NC(=O)CC2CC2)c1 ZINC000265081960 170656450 /nfs/dbraw/zinc/65/64/50/170656450.db2.gz MWTPZFOVLDUDGK-UHFFFAOYSA-N 0 0 235.352 3.537 20 0 BHADRN CCCCCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000265091616 386304594 /nfs/dbraw/zinc/30/45/94/386304594.db2.gz ZYPZHKUJKSALPO-UHFFFAOYSA-N 0 0 230.311 3.687 20 0 BHADRN Cc1cccc(CN(C)C(=O)/C=C/C(C)(C)C)c1 ZINC000265100690 386304457 /nfs/dbraw/zinc/30/44/57/386304457.db2.gz RZLWEZOIQYPUTK-MDZDMXLPSA-N 0 0 245.366 3.556 20 0 BHADRN CC(C)N(Cc1ccco1)C(=O)/C=C/C(C)(C)C ZINC000265105722 187843858 /nfs/dbraw/zinc/84/38/58/187843858.db2.gz UZONLZKCXZDMEN-CMDGGOBGSA-N 0 0 249.354 3.619 20 0 BHADRN Cc1ccc(CN(C)C(=O)/C=C/C(C)(C)C)cc1 ZINC000265105726 178539345 /nfs/dbraw/zinc/53/93/45/178539345.db2.gz UZONYINODXCVBE-ZHACJKMWSA-N 0 0 245.366 3.556 20 0 BHADRN CC[C@@H](NC(=O)C(C)C)c1ccc(Cl)s1 ZINC000265130262 170874707 /nfs/dbraw/zinc/87/47/07/170874707.db2.gz LNLVISNBRAMEAM-MRVPVSSYSA-N 0 0 245.775 3.625 20 0 BHADRN CC[C@H](NC(=O)C(C)C)c1ccc(Cl)s1 ZINC000265130264 386309628 /nfs/dbraw/zinc/30/96/28/386309628.db2.gz LNLVISNBRAMEAM-QMMMGPOBSA-N 0 0 245.775 3.625 20 0 BHADRN Cc1ccccc1[C@@H](C)N(C)C(=O)CCC1CC1 ZINC000265149849 179318151 /nfs/dbraw/zinc/31/81/51/179318151.db2.gz CCMSCOUNURFPDJ-CYBMUJFWSA-N 0 0 245.366 3.705 20 0 BHADRN Cc1ccccc1[C@H](C)N(C)C(=O)CCC1CC1 ZINC000265149850 179334534 /nfs/dbraw/zinc/33/45/34/179334534.db2.gz CCMSCOUNURFPDJ-ZDUSSCGKSA-N 0 0 245.366 3.705 20 0 BHADRN CCCC(=O)N[C@H](CC)c1ccc(Cl)s1 ZINC000265156125 386312364 /nfs/dbraw/zinc/31/23/64/386312364.db2.gz YLLHPFVEXPFHAH-MRVPVSSYSA-N 0 0 245.775 3.769 20 0 BHADRN CCCC(=O)N[C@@H](CC)c1ccc(Cl)s1 ZINC000265156126 386312271 /nfs/dbraw/zinc/31/22/71/386312271.db2.gz YLLHPFVEXPFHAH-QMMMGPOBSA-N 0 0 245.775 3.769 20 0 BHADRN c1cc(CSCCCc2ccccc2)no1 ZINC000265176311 183391640 /nfs/dbraw/zinc/39/16/40/183391640.db2.gz CUSTVGALCNBLIV-UHFFFAOYSA-N 0 0 233.336 3.541 20 0 BHADRN CSc1ccc(N(C)C(=O)CCC2CC2)cc1 ZINC000265177715 386316163 /nfs/dbraw/zinc/31/61/63/386316163.db2.gz JZGWBLWLFDPSRF-UHFFFAOYSA-N 0 0 249.379 3.562 20 0 BHADRN CCc1cnccc1NC(=O)C1CCCCCC1 ZINC000265196416 351265466 /nfs/dbraw/zinc/26/54/66/351265466.db2.gz JEQUQCPMGJAWDT-UHFFFAOYSA-N 0 0 246.354 3.553 20 0 BHADRN CC(=O)c1ccc(NC(=O)[C@H](C)C(C)(C)C)cc1 ZINC000265197526 187332517 /nfs/dbraw/zinc/33/25/17/187332517.db2.gz BRVOTUISXFXVMM-JTQLQIEISA-N 0 0 247.338 3.510 20 0 BHADRN CC(=O)c1ccc(NC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC000265197529 188260849 /nfs/dbraw/zinc/26/08/49/188260849.db2.gz BRVOTUISXFXVMM-SNVBAGLBSA-N 0 0 247.338 3.510 20 0 BHADRN CC(=O)c1cccc(NC(=O)[C@H](C)C(C)(C)C)c1 ZINC000265203533 388992956 /nfs/dbraw/zinc/99/29/56/388992956.db2.gz CSAOIAJELNIKAL-JTQLQIEISA-N 0 0 247.338 3.510 20 0 BHADRN CC(=O)c1cccc(NC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000265203535 166476381 /nfs/dbraw/zinc/47/63/81/166476381.db2.gz CSAOIAJELNIKAL-SNVBAGLBSA-N 0 0 247.338 3.510 20 0 BHADRN COc1ccc(NC(=O)[C@@H](C)C(C)(C)C)c(C)c1 ZINC000265210031 175144274 /nfs/dbraw/zinc/14/42/74/175144274.db2.gz DVRUHRJDDCLRIR-LLVKDONJSA-N 0 0 249.354 3.624 20 0 BHADRN COc1ccc(NC(=O)[C@H](C)C(C)(C)C)c(C)c1 ZINC000265210039 175146833 /nfs/dbraw/zinc/14/68/33/175146833.db2.gz DVRUHRJDDCLRIR-NSHDSACASA-N 0 0 249.354 3.624 20 0 BHADRN CCCC(=O)Oc1ccccc1SCC ZINC000265213348 168570936 /nfs/dbraw/zinc/57/09/36/168570936.db2.gz PNHSPSHTIIHJSC-UHFFFAOYSA-N 0 0 224.325 3.504 20 0 BHADRN CCSc1ccccc1OC(=O)C1CCC1 ZINC000265225124 170657309 /nfs/dbraw/zinc/65/73/09/170657309.db2.gz TVSDJPSQKMRIPA-UHFFFAOYSA-N 0 0 236.336 3.504 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H](C)C(C)(C)C ZINC000265228078 179302114 /nfs/dbraw/zinc/30/21/14/179302114.db2.gz HGQUSOAIPGFADD-LLVKDONJSA-N 0 0 219.328 3.616 20 0 BHADRN Cc1ccccc1NC(=O)[C@H](C)C(C)(C)C ZINC000265228080 179301386 /nfs/dbraw/zinc/30/13/86/179301386.db2.gz HGQUSOAIPGFADD-NSHDSACASA-N 0 0 219.328 3.616 20 0 BHADRN C[C@H](C(=O)Nc1cc(F)ccc1F)C(C)(C)C ZINC000265232483 176578976 /nfs/dbraw/zinc/57/89/76/176578976.db2.gz HTNLOQYHGRTBKR-MRVPVSSYSA-N 0 0 241.281 3.586 20 0 BHADRN C[C@@H](C(=O)Nc1cc(F)ccc1F)C(C)(C)C ZINC000265232485 386317920 /nfs/dbraw/zinc/31/79/20/386317920.db2.gz HTNLOQYHGRTBKR-QMMMGPOBSA-N 0 0 241.281 3.586 20 0 BHADRN CCCCCCC(=O)Nc1ccncc1CC ZINC000265233530 386322171 /nfs/dbraw/zinc/32/21/71/386322171.db2.gz PSVBVEHBRPWCBB-UHFFFAOYSA-N 0 0 234.343 3.553 20 0 BHADRN C[C@H](c1ccc(F)cc1)N(C)C(=O)CCC1CC1 ZINC000265235514 177034752 /nfs/dbraw/zinc/03/47/52/177034752.db2.gz WGCFMODSXTVDFK-LLVKDONJSA-N 0 0 249.329 3.535 20 0 BHADRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCC1CC1 ZINC000265235515 176014078 /nfs/dbraw/zinc/01/40/78/176014078.db2.gz WGCFMODSXTVDFK-NSHDSACASA-N 0 0 249.329 3.535 20 0 BHADRN CCOc1ccccc1NC(=O)[C@@H](C)C(C)(C)C ZINC000265242753 170595085 /nfs/dbraw/zinc/59/50/85/170595085.db2.gz JHIFDNNKAFOFLD-LLVKDONJSA-N 0 0 249.354 3.706 20 0 BHADRN CCOc1ccccc1NC(=O)[C@H](C)C(C)(C)C ZINC000265242754 386321065 /nfs/dbraw/zinc/32/10/65/386321065.db2.gz JHIFDNNKAFOFLD-NSHDSACASA-N 0 0 249.354 3.706 20 0 BHADRN C[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)C(C)(C)C ZINC000265251471 386321180 /nfs/dbraw/zinc/32/11/80/386321180.db2.gz SHJXJQBLGACQTR-JTQLQIEISA-N 0 0 244.338 3.789 20 0 BHADRN C[C@H](C(=O)Nc1ccc2[nH]ccc2c1)C(C)(C)C ZINC000265251473 386321889 /nfs/dbraw/zinc/32/18/89/386321889.db2.gz SHJXJQBLGACQTR-SNVBAGLBSA-N 0 0 244.338 3.789 20 0 BHADRN C[C@H](C(=O)Nc1ccccc1Cl)C(C)(C)C ZINC000265272444 386325166 /nfs/dbraw/zinc/32/51/66/386325166.db2.gz NFZDHACJIIDLBQ-SECBINFHSA-N 0 0 239.746 3.961 20 0 BHADRN C[C@@H](C(=O)Nc1ccccc1Cl)C(C)(C)C ZINC000265272446 386325365 /nfs/dbraw/zinc/32/53/65/386325365.db2.gz NFZDHACJIIDLBQ-VIFPVBQESA-N 0 0 239.746 3.961 20 0 BHADRN FC(F)(F)CCSc1cccs1 ZINC000265272907 386662393 /nfs/dbraw/zinc/66/23/93/386662393.db2.gz CZTIQXISEHOLQK-UHFFFAOYSA-N 0 0 212.261 3.793 20 0 BHADRN C[C@H](C(=O)Nc1ccc(F)cc1F)C(C)(C)C ZINC000265274331 176579260 /nfs/dbraw/zinc/57/92/60/176579260.db2.gz NLZIQSUWXXLPRV-MRVPVSSYSA-N 0 0 241.281 3.586 20 0 BHADRN C[C@@H](C(=O)Nc1ccc(F)cc1F)C(C)(C)C ZINC000265274334 386324625 /nfs/dbraw/zinc/32/46/25/386324625.db2.gz NLZIQSUWXXLPRV-QMMMGPOBSA-N 0 0 241.281 3.586 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H](C)C(C)(C)C ZINC000265276209 386325522 /nfs/dbraw/zinc/32/55/22/386325522.db2.gz NQZODXSKOPLQKX-LLVKDONJSA-N 0 0 233.355 3.870 20 0 BHADRN CCc1ccccc1NC(=O)[C@H](C)C(C)(C)C ZINC000265276211 171887320 /nfs/dbraw/zinc/88/73/20/171887320.db2.gz NQZODXSKOPLQKX-NSHDSACASA-N 0 0 233.355 3.870 20 0 BHADRN COCCCCCSc1ccccc1OC ZINC000265323769 174185391 /nfs/dbraw/zinc/18/53/91/174185391.db2.gz VPJFKEMAMCRQEN-UHFFFAOYSA-N 0 0 240.368 3.604 20 0 BHADRN C[C@H](C(=O)Nc1cccc(F)c1F)C(C)(C)C ZINC000265326238 397932406 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BHADRN Cc1cnc(COc2c(C)cccc2Cl)o1 ZINC000266238394 386417493 /nfs/dbraw/zinc/41/74/93/386417493.db2.gz WFUJXQYDYCHOBE-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN Cc1ccoc1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000266243574 388995729 /nfs/dbraw/zinc/99/57/29/388995729.db2.gz XUGXDPCOLBOESU-AAEUAGOBSA-N 0 0 245.322 3.594 20 0 BHADRN Cc1ccoc1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000266243576 388995346 /nfs/dbraw/zinc/99/53/46/388995346.db2.gz XUGXDPCOLBOESU-DGCLKSJQSA-N 0 0 245.322 3.594 20 0 BHADRN Cc1ccoc1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000266243578 388995708 /nfs/dbraw/zinc/99/57/08/388995708.db2.gz XUGXDPCOLBOESU-WCQYABFASA-N 0 0 245.322 3.594 20 0 BHADRN Cc1ccoc1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000266243579 388995091 /nfs/dbraw/zinc/99/50/91/388995091.db2.gz XUGXDPCOLBOESU-YPMHNXCESA-N 0 0 245.322 3.594 20 0 BHADRN CCOCCS[C@H](C)c1ccccc1OC ZINC000266251807 386417745 /nfs/dbraw/zinc/41/77/45/386417745.db2.gz PYMQGMGYETXCKS-LLVKDONJSA-N 0 0 240.368 3.526 20 0 BHADRN CCOCCS[C@@H](C)c1ccccc1OC ZINC000266251810 386416762 /nfs/dbraw/zinc/41/67/62/386416762.db2.gz PYMQGMGYETXCKS-NSHDSACASA-N 0 0 240.368 3.526 20 0 BHADRN COc1ccccc1[C@H](C)SCc1ccno1 ZINC000266255249 175352225 /nfs/dbraw/zinc/35/22/25/175352225.db2.gz RKUCVTTVPCWJKE-JTQLQIEISA-N 0 0 249.335 3.678 20 0 BHADRN COc1ccccc1[C@@H](C)SCc1ccno1 ZINC000266255250 175346154 /nfs/dbraw/zinc/34/61/54/175346154.db2.gz RKUCVTTVPCWJKE-SNVBAGLBSA-N 0 0 249.335 3.678 20 0 BHADRN CCCc1ccccc1NC(=O)/C=C/C1CC1 ZINC000266256481 386419466 /nfs/dbraw/zinc/41/94/66/386419466.db2.gz LEWLNGYDLOGJHC-ZHACJKMWSA-N 0 0 229.323 3.544 20 0 BHADRN Cc1cccc(NC(=O)CCC(F)(F)F)c1C ZINC000266263064 179126075 /nfs/dbraw/zinc/12/60/75/179126075.db2.gz XCRCPWALTOSSKB-UHFFFAOYSA-N 0 0 245.244 3.584 20 0 BHADRN C[C@H](CO)S[C@@H](C)c1ccc(Cl)cc1 ZINC000266266621 177028579 /nfs/dbraw/zinc/02/85/79/177028579.db2.gz YBVXZJCHCVOCJB-BDAKNGLRSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](S[C@@H](C)CO)c1ccc(Cl)cc1 ZINC000266267195 175759585 /nfs/dbraw/zinc/75/95/85/175759585.db2.gz YBVXZJCHCVOCJB-DTWKUNHWSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](CO)S[C@@H](C)c1ccc(Cl)cc1 ZINC000266267197 386419891 /nfs/dbraw/zinc/41/98/91/386419891.db2.gz YBVXZJCHCVOCJB-IUCAKERBSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@H](CO)S[C@H](C)c1ccc(Cl)cc1 ZINC000266267199 176708965 /nfs/dbraw/zinc/70/89/65/176708965.db2.gz YBVXZJCHCVOCJB-RKDXNWHRSA-N 0 0 230.760 3.515 20 0 BHADRN COCCCS[C@H](C)c1ccccc1OC ZINC000266268312 174259628 /nfs/dbraw/zinc/25/96/28/174259628.db2.gz YRPGLVPVQCENJF-LLVKDONJSA-N 0 0 240.368 3.526 20 0 BHADRN COCCCS[C@@H](C)c1ccccc1OC ZINC000266268314 174258724 /nfs/dbraw/zinc/25/87/24/174258724.db2.gz YRPGLVPVQCENJF-NSHDSACASA-N 0 0 240.368 3.526 20 0 BHADRN CC(C)[C@@H](C)S[C@H](C)c1cccnc1 ZINC000266269474 167388828 /nfs/dbraw/zinc/38/88/28/167388828.db2.gz ZIHBGTNTMAGODY-GHMZBOCLSA-N 0 0 209.358 3.920 20 0 BHADRN CC(C)[C@@H](C)S[C@@H](C)c1cccnc1 ZINC000266269475 167387876 /nfs/dbraw/zinc/38/78/76/167387876.db2.gz ZIHBGTNTMAGODY-MNOVXSKESA-N 0 0 209.358 3.920 20 0 BHADRN CC(C)[C@H](C)S[C@@H](C)c1cccnc1 ZINC000266269477 386419511 /nfs/dbraw/zinc/41/95/11/386419511.db2.gz ZIHBGTNTMAGODY-QWRGUYRKSA-N 0 0 209.358 3.920 20 0 BHADRN CC(C)[C@H](C)S[C@H](C)c1cccnc1 ZINC000266269478 386420605 /nfs/dbraw/zinc/42/06/05/386420605.db2.gz ZIHBGTNTMAGODY-WDEREUQCSA-N 0 0 209.358 3.920 20 0 BHADRN Cc1cc(C[S@@](=O)CCC(C)C)c(C)s1 ZINC000266295784 178057853 /nfs/dbraw/zinc/05/78/53/178057853.db2.gz BSIRZFUNEDYSTD-HNNXBMFYSA-N 0 0 244.425 3.660 20 0 BHADRN Cc1cc(C[S@](=O)CCC(C)C)c(C)s1 ZINC000266295785 178058368 /nfs/dbraw/zinc/05/83/68/178058368.db2.gz BSIRZFUNEDYSTD-OAHLLOKOSA-N 0 0 244.425 3.660 20 0 BHADRN CC(=O)Nc1cccc(CSCC2CCC2)c1 ZINC000266303134 188373115 /nfs/dbraw/zinc/37/31/15/188373115.db2.gz AZXDTNWUUDGVRM-UHFFFAOYSA-N 0 0 249.379 3.678 20 0 BHADRN Cc1cc(C[S@](=O)[C@H](C)C(C)C)c(C)s1 ZINC000266307238 178059774 /nfs/dbraw/zinc/05/97/74/178059774.db2.gz FGVCBUCWOOXPGM-ABAIWWIYSA-N 0 0 244.425 3.658 20 0 BHADRN Cc1cc(C[S@@](=O)[C@H](C)C(C)C)c(C)s1 ZINC000266307242 178058357 /nfs/dbraw/zinc/05/83/57/178058357.db2.gz FGVCBUCWOOXPGM-IAQYHMDHSA-N 0 0 244.425 3.658 20 0 BHADRN Cc1cc(C[S@](=O)[C@@H](C)C(C)C)c(C)s1 ZINC000266307243 178059657 /nfs/dbraw/zinc/05/96/57/178059657.db2.gz FGVCBUCWOOXPGM-NHYWBVRUSA-N 0 0 244.425 3.658 20 0 BHADRN Cc1cc(C[S@@](=O)[C@@H](C)C(C)C)c(C)s1 ZINC000266307246 178058718 /nfs/dbraw/zinc/05/87/18/178058718.db2.gz FGVCBUCWOOXPGM-XHDPSFHLSA-N 0 0 244.425 3.658 20 0 BHADRN c1sc(-c2ccccn2)nc1C1CCCC1 ZINC000266309331 183381966 /nfs/dbraw/zinc/38/19/66/183381966.db2.gz DMBKASKTCLTTHI-UHFFFAOYSA-N 0 0 230.336 3.863 20 0 BHADRN CC/C=C(\C)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000266310189 397937037 /nfs/dbraw/zinc/93/70/37/397937037.db2.gz NACLLOXZKGQFMO-CSPHYMHISA-N 0 0 243.350 3.562 20 0 BHADRN CC/C=C(\C)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000266310713 397936913 /nfs/dbraw/zinc/93/69/13/397936913.db2.gz NACLLOXZKGQFMO-OSEPDQNXSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C=C(\C)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000266310715 397937040 /nfs/dbraw/zinc/93/70/40/397937040.db2.gz NACLLOXZKGQFMO-RKIJOGDYSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C=C(\C)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000266310717 167832566 /nfs/dbraw/zinc/83/25/66/167832566.db2.gz NACLLOXZKGQFMO-SIRQDLBWSA-N 0 0 243.350 3.562 20 0 BHADRN c1sc(-c2ccncc2)nc1C1CCCC1 ZINC000266316955 183330389 /nfs/dbraw/zinc/33/03/89/183330389.db2.gz GPPLMGIEXZSUSP-UHFFFAOYSA-N 0 0 230.336 3.863 20 0 BHADRN CCSc1cccc(NC(=O)/C=C/C2CC2)c1 ZINC000266319500 386426817 /nfs/dbraw/zinc/42/68/17/386426817.db2.gz PKMYVADUBFQPEQ-CMDGGOBGSA-N 0 0 247.363 3.703 20 0 BHADRN Cc1noc(CS[C@@H](C)c2cccc(C)c2)n1 ZINC000266347348 386429038 /nfs/dbraw/zinc/42/90/38/386429038.db2.gz OCWAIDXRTQGGCB-JTQLQIEISA-N 0 0 248.351 3.681 20 0 BHADRN Cc1noc(CS[C@H](C)c2cccc(C)c2)n1 ZINC000266347350 386428198 /nfs/dbraw/zinc/42/81/98/386428198.db2.gz OCWAIDXRTQGGCB-SNVBAGLBSA-N 0 0 248.351 3.681 20 0 BHADRN CCO[C@H](C)c1nc(C2CCCC2)cs1 ZINC000266350667 170502118 /nfs/dbraw/zinc/50/21/18/170502118.db2.gz PJHFNTJYJNXCBL-SECBINFHSA-N 0 0 225.357 3.898 20 0 BHADRN CCO[C@@H](C)c1nc(C2CCCC2)cs1 ZINC000266350668 386428911 /nfs/dbraw/zinc/42/89/11/386428911.db2.gz PJHFNTJYJNXCBL-VIFPVBQESA-N 0 0 225.357 3.898 20 0 BHADRN COC[C@@H](C)c1nc(C2CCCC2)cs1 ZINC000266362172 386431605 /nfs/dbraw/zinc/43/16/05/386431605.db2.gz SFDZXCINGIEHLC-SECBINFHSA-N 0 0 225.357 3.551 20 0 BHADRN COC[C@H](C)c1nc(C2CCCC2)cs1 ZINC000266362173 386431145 /nfs/dbraw/zinc/43/11/45/386431145.db2.gz SFDZXCINGIEHLC-VIFPVBQESA-N 0 0 225.357 3.551 20 0 BHADRN C/C=C/CSCc1sc(C)nc1C ZINC000266390583 187913493 /nfs/dbraw/zinc/91/34/93/187913493.db2.gz ZWEYKOIANTXNEV-SNAWJCMRSA-N 0 0 213.371 3.569 20 0 BHADRN CC(C)[C@@H](C)[S@@](=O)Cc1ccccc1Cl ZINC000266400521 188551040 /nfs/dbraw/zinc/55/10/40/188551040.db2.gz YFCMILGEIXIPIV-BMIGLBTASA-N 0 0 244.787 3.633 20 0 BHADRN CC(C)[C@H](C)[S@@](=O)Cc1ccccc1Cl ZINC000266400524 188373069 /nfs/dbraw/zinc/37/30/69/188373069.db2.gz YFCMILGEIXIPIV-BONVTDFDSA-N 0 0 244.787 3.633 20 0 BHADRN CC(C)[C@@H](C)[S@](=O)Cc1ccccc1Cl ZINC000266400526 188195397 /nfs/dbraw/zinc/19/53/97/188195397.db2.gz YFCMILGEIXIPIV-MEBBXXQBSA-N 0 0 244.787 3.633 20 0 BHADRN CC(C)[C@H](C)[S@](=O)Cc1ccccc1Cl ZINC000266400528 188372897 /nfs/dbraw/zinc/37/28/97/188372897.db2.gz YFCMILGEIXIPIV-ZUZCIYMTSA-N 0 0 244.787 3.633 20 0 BHADRN CC/C(=C/c1nc(C)no1)c1ccc(C)cc1 ZINC000266508190 386442284 /nfs/dbraw/zinc/44/22/84/386442284.db2.gz AVVBGLAUEZBKTE-XFXZXTDPSA-N 0 0 228.295 3.637 20 0 BHADRN Cc1ccccc1-c1noc([C@H]2CCCS2)n1 ZINC000266529189 179240989 /nfs/dbraw/zinc/24/09/89/179240989.db2.gz FBHHNNYQAHGPIT-LLVKDONJSA-N 0 0 246.335 3.613 20 0 BHADRN Cc1ccccc1-c1noc([C@@H]2CCCS2)n1 ZINC000266529191 179240603 /nfs/dbraw/zinc/24/06/03/179240603.db2.gz FBHHNNYQAHGPIT-NSHDSACASA-N 0 0 246.335 3.613 20 0 BHADRN Cc1ccc(-c2noc([C@H]3CCCS3)n2)cc1 ZINC000266537072 178343697 /nfs/dbraw/zinc/34/36/97/178343697.db2.gz GFGYAZVTTAVIJW-LLVKDONJSA-N 0 0 246.335 3.613 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3CCCS3)n2)cc1 ZINC000266537076 178344233 /nfs/dbraw/zinc/34/42/33/178344233.db2.gz GFGYAZVTTAVIJW-NSHDSACASA-N 0 0 246.335 3.613 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@H]2CCCS2)c1 ZINC000266612450 386456058 /nfs/dbraw/zinc/45/60/58/386456058.db2.gz RJTGAOBOCNPTAM-CYBMUJFWSA-N 0 0 249.379 3.644 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@@H]2CCCS2)c1 ZINC000266612452 167633054 /nfs/dbraw/zinc/63/30/54/167633054.db2.gz RJTGAOBOCNPTAM-ZDUSSCGKSA-N 0 0 249.379 3.644 20 0 BHADRN Cc1c(NC(=O)CC2CC2)sc2c1CCCC2 ZINC000266634953 386457625 /nfs/dbraw/zinc/45/76/25/386457625.db2.gz BCEGWNAOXXBFAB-UHFFFAOYSA-N 0 0 249.379 3.674 20 0 BHADRN CC(C)(C)c1noc(-c2cccc3cc[nH]c32)n1 ZINC000266640380 187333018 /nfs/dbraw/zinc/33/30/18/187333018.db2.gz WRRMXHKPYCYLPO-UHFFFAOYSA-N 0 0 241.294 3.515 20 0 BHADRN C[C@@H](c1nc(C2CC2)no1)c1cccc(Cl)c1 ZINC000266657007 177036011 /nfs/dbraw/zinc/03/60/11/177036011.db2.gz ZJWSETFZXAWWLT-MRVPVSSYSA-N 0 0 248.713 3.752 20 0 BHADRN C[C@H](c1nc(C2CC2)no1)c1cccc(Cl)c1 ZINC000266657009 176018551 /nfs/dbraw/zinc/01/85/51/176018551.db2.gz ZJWSETFZXAWWLT-QMMMGPOBSA-N 0 0 248.713 3.752 20 0 BHADRN Cc1cccc(NC(=O)CCC2CC2)c1Cl ZINC000266661440 179125958 /nfs/dbraw/zinc/12/59/58/179125958.db2.gz QYYYMBOTRBOHTP-UHFFFAOYSA-N 0 0 237.730 3.777 20 0 BHADRN Cc1cccc(NC(=O)C2CC=CC2)c1Cl ZINC000266672515 179126466 /nfs/dbraw/zinc/12/64/66/179126466.db2.gz WJNWZFOOCLHOGO-UHFFFAOYSA-N 0 0 235.714 3.553 20 0 BHADRN CCN(Cc1ncc(C)o1)c1cccc(C)c1C ZINC000266686937 169936674 /nfs/dbraw/zinc/93/66/74/169936674.db2.gz ULNPMQRSXXQBRU-UHFFFAOYSA-N 0 0 244.338 3.626 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000266700902 386462516 /nfs/dbraw/zinc/46/25/16/386462516.db2.gz GDVJCWJQHOEEBF-IMRBUKKESA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cnc(CN(CC(C)C)c2ccccc2)o1 ZINC000266750874 386465255 /nfs/dbraw/zinc/46/52/55/386465255.db2.gz QBIURGYPFWQERH-UHFFFAOYSA-N 0 0 244.338 3.646 20 0 BHADRN 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C[C@@H](NCCF)c1cccc(Cl)c1Cl ZINC000271825221 389026073 /nfs/dbraw/zinc/02/60/73/389026073.db2.gz SSXZTPPOHSLLNY-SSDOTTSWSA-N 0 0 236.117 3.614 20 0 BHADRN C[C@H](NCCF)c1cccc(Cl)c1Cl ZINC000271825224 176847030 /nfs/dbraw/zinc/84/70/30/176847030.db2.gz SSXZTPPOHSLLNY-ZETCQYMHSA-N 0 0 236.117 3.614 20 0 BHADRN Cc1cccc(F)c1NC(=O)/C=C1\CC[C@H](C)C1 ZINC000271844778 179109990 /nfs/dbraw/zinc/10/99/90/179109990.db2.gz BHZXCYAWFRNVAG-LZAIMSLLSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cccc(F)c1NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000271844781 179109514 /nfs/dbraw/zinc/10/95/14/179109514.db2.gz BHZXCYAWFRNVAG-QSARLWQPSA-N 0 0 247.313 3.819 20 0 BHADRN CC[C@@H](C)C(=O)Nc1cccc(SC)c1C ZINC000271849480 385855468 /nfs/dbraw/zinc/85/54/68/385855468.db2.gz WBIMLNOFFHELPN-SECBINFHSA-N 0 0 237.368 3.702 20 0 BHADRN CC[C@H](C)C(=O)Nc1cccc(SC)c1C ZINC000271849483 171255678 /nfs/dbraw/zinc/25/56/78/171255678.db2.gz WBIMLNOFFHELPN-VIFPVBQESA-N 0 0 237.368 3.702 20 0 BHADRN CSc1ccc(C)c(NC(=O)[C@@H](C)C2CC2)c1 ZINC000271853399 187511261 /nfs/dbraw/zinc/51/12/61/187511261.db2.gz JJPHHXIPWNWTNC-JTQLQIEISA-N 0 0 249.379 3.702 20 0 BHADRN CSc1ccc(C)c(NC(=O)[C@H](C)C2CC2)c1 ZINC000271853401 188026353 /nfs/dbraw/zinc/02/63/53/188026353.db2.gz JJPHHXIPWNWTNC-SNVBAGLBSA-N 0 0 249.379 3.702 20 0 BHADRN Cc1noc([C@H](C)CCCc2ccccc2)n1 ZINC000271861540 385856507 /nfs/dbraw/zinc/85/65/07/385856507.db2.gz YUJOYILQIBWSIR-LLVKDONJSA-N 0 0 230.311 3.504 20 0 BHADRN Cc1noc([C@@H](C)CCCc2ccccc2)n1 ZINC000271861545 385857559 /nfs/dbraw/zinc/85/75/59/385857559.db2.gz YUJOYILQIBWSIR-NSHDSACASA-N 0 0 230.311 3.504 20 0 BHADRN CSc1cccc(NC(=O)CCC2CC2)c1C ZINC000271865500 175580728 /nfs/dbraw/zinc/58/07/28/175580728.db2.gz ZYUPQNNZSGRKMX-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN CCc1noc(C)c1CNc1c(C)cccc1F ZINC000271872607 172081312 /nfs/dbraw/zinc/08/13/12/172081312.db2.gz KSDRXFYVKFEKEN-UHFFFAOYSA-N 0 0 248.301 3.605 20 0 BHADRN Cc1cnc(CNc2cccc(C)c2F)s1 ZINC000271874920 389025330 /nfs/dbraw/zinc/02/53/30/389025330.db2.gz YVBQLLFHDBFVQK-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN CSc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000271899648 188199375 /nfs/dbraw/zinc/19/93/75/188199375.db2.gz GJUQWFYSQVWROC-UHFFFAOYSA-N 0 0 237.368 3.702 20 0 BHADRN Cc1cccc(NC(=O)C2(C)CCCC2)c1F ZINC000271910820 179125205 /nfs/dbraw/zinc/12/52/05/179125205.db2.gz LYOQSFCIHHFCRW-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN CSc1ccc(C)c(NC(=O)C2CCCC2)c1 ZINC000271912340 385861398 /nfs/dbraw/zinc/86/13/98/385861398.db2.gz MEPCZEPANJSYRH-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN CSc1ccc(C)c(NC(=O)C2(C)CCC2)c1 ZINC000271916108 385861412 /nfs/dbraw/zinc/86/14/12/385861412.db2.gz JNVVCJIFCFKZBA-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN Cc1cccc(F)c1NCc1ncc(C2CC2)o1 ZINC000271927766 179111646 /nfs/dbraw/zinc/11/16/46/179111646.db2.gz VUMOQOSIXRNEIB-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN C[C@@H]1CCN(c2ccccn2)[C@@H](c2ccco2)C1 ZINC000271931823 132200102 /nfs/dbraw/zinc/20/01/02/132200102.db2.gz INCDUTMIXYVFKE-CHWSQXEVSA-N 0 0 242.322 3.652 20 0 BHADRN C[C@@H]1CCN(c2ccccn2)[C@H](c2ccco2)C1 ZINC000271931825 132200185 /nfs/dbraw/zinc/20/01/85/132200185.db2.gz INCDUTMIXYVFKE-OLZOCXBDSA-N 0 0 242.322 3.652 20 0 BHADRN C[C@H]1CCN(c2ccccn2)[C@@H](c2ccco2)C1 ZINC000271931826 132200229 /nfs/dbraw/zinc/20/02/29/132200229.db2.gz INCDUTMIXYVFKE-QWHCGFSZSA-N 0 0 242.322 3.652 20 0 BHADRN C[C@H]1CCN(c2ccccn2)[C@H](c2ccco2)C1 ZINC000271931828 132200017 /nfs/dbraw/zinc/20/00/17/132200017.db2.gz INCDUTMIXYVFKE-STQMWFEESA-N 0 0 242.322 3.652 20 0 BHADRN CC(C)c1cc(NCc2ccccc2F)no1 ZINC000271934187 167575181 /nfs/dbraw/zinc/57/51/81/167575181.db2.gz MGOIWWQGTRNADE-UHFFFAOYSA-N 0 0 234.274 3.549 20 0 BHADRN CSc1ccc(C)c(NC(=O)/C=C/C2CC2)c1 ZINC000271934935 385860583 /nfs/dbraw/zinc/86/05/83/385860583.db2.gz VXXYJOFHAHOGMJ-SOFGYWHQSA-N 0 0 247.363 3.622 20 0 BHADRN CSc1cccc(N[C@H]2CCSC2)c1C ZINC000271939130 389027600 /nfs/dbraw/zinc/02/76/00/389027600.db2.gz AITRAOXSJRJHNA-JTQLQIEISA-N 0 0 239.409 3.634 20 0 BHADRN CSc1cccc(N[C@@H]2CCSC2)c1C ZINC000271939131 389028426 /nfs/dbraw/zinc/02/84/26/389028426.db2.gz AITRAOXSJRJHNA-SNVBAGLBSA-N 0 0 239.409 3.634 20 0 BHADRN Cc1cccc(N[C@H](C)c2cnccc2C)c1 ZINC000271941425 179157977 /nfs/dbraw/zinc/15/79/77/179157977.db2.gz MDIQUVDQNOHPGS-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cnccc2C)c1 ZINC000271941427 179153245 /nfs/dbraw/zinc/15/32/45/179153245.db2.gz MDIQUVDQNOHPGS-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN CSc1ccc(C)c(NC(=O)C=C(C)C)c1 ZINC000271944102 188025802 /nfs/dbraw/zinc/02/58/02/188025802.db2.gz SIIHTWTVAFIWOA-UHFFFAOYSA-N 0 0 235.352 3.622 20 0 BHADRN CC(C)c1cc(NCc2cccc(F)c2)no1 ZINC000271944470 167575355 /nfs/dbraw/zinc/57/53/55/167575355.db2.gz PQJVVQIZAUZDDK-UHFFFAOYSA-N 0 0 234.274 3.549 20 0 BHADRN Cc1ncc([C@@H](C)Nc2ccccc2C)c(C)n1 ZINC000271947716 180171159 /nfs/dbraw/zinc/17/11/59/180171159.db2.gz NTSMHRYQHOFAKR-GFCCVEGCSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ncc([C@H](C)Nc2ccccc2C)c(C)n1 ZINC000271947718 180173564 /nfs/dbraw/zinc/17/35/64/180173564.db2.gz NTSMHRYQHOFAKR-LBPRGKRZSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(N[C@H](C)c2cnc(C)nc2C)cc1 ZINC000271949432 385862309 /nfs/dbraw/zinc/86/23/09/385862309.db2.gz OJIYQDHKXIBWCP-GFCCVEGCSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000271949435 385863304 /nfs/dbraw/zinc/86/33/04/385863304.db2.gz OJIYQDHKXIBWCP-LBPRGKRZSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cccc(N[C@H](C)c2cnc(C)nc2C)c1 ZINC000271954272 179157169 /nfs/dbraw/zinc/15/71/69/179157169.db2.gz PMQHPWISRILPAA-GFCCVEGCSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cnc(C)nc2C)c1 ZINC000271954273 179153206 /nfs/dbraw/zinc/15/32/06/179153206.db2.gz PMQHPWISRILPAA-LBPRGKRZSA-N 0 0 241.338 3.575 20 0 BHADRN CSc1ccc(C)c(NC(=O)CC2CCC2)c1 ZINC000271955470 188026510 /nfs/dbraw/zinc/02/65/10/188026510.db2.gz UMSQLCSHNAJPST-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN Cc1cccc(F)c1NC(=O)CCC(C)(C)C ZINC000271959193 179109500 /nfs/dbraw/zinc/10/95/00/179109500.db2.gz GJQQUZDLKZBORU-UHFFFAOYSA-N 0 0 237.318 3.899 20 0 BHADRN COc1ccccc1N[C@H](C)c1cnccc1C ZINC000271963332 175339041 /nfs/dbraw/zinc/33/90/41/175339041.db2.gz RWKIUPKGEPEKPA-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccccc1N[C@@H](C)c1cnccc1C ZINC000271963334 175338631 /nfs/dbraw/zinc/33/86/31/175338631.db2.gz RWKIUPKGEPEKPA-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccccc1[C@@H](C)Nc1cccc(C)n1 ZINC000271964626 175346050 /nfs/dbraw/zinc/34/60/50/175346050.db2.gz SGPSUMKDBQKXFO-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccccc1[C@H](C)Nc1cccc(C)n1 ZINC000271964628 175352519 /nfs/dbraw/zinc/35/25/19/175352519.db2.gz SGPSUMKDBQKXFO-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1ccc(N[C@H](C)c2cnccc2C)cc1 ZINC000271977432 178776561 /nfs/dbraw/zinc/77/65/61/178776561.db2.gz WBIWWXLIKTWYCB-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cnccc2C)cc1 ZINC000271977437 487640911 /nfs/dbraw/zinc/64/09/11/487640911.db2.gz WBIWWXLIKTWYCB-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN COc1cccc(N[C@H](C)c2cnccc2C)c1 ZINC000271980535 175279702 /nfs/dbraw/zinc/27/97/02/175279702.db2.gz WVAVFLRBAICSFF-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1cccc(N[C@@H](C)c2cnccc2C)c1 ZINC000271980538 175279724 /nfs/dbraw/zinc/27/97/24/175279724.db2.gz WVAVFLRBAICSFF-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN CSc1ccc(C)c(NCc2cccn2C)c1 ZINC000271981096 187336311 /nfs/dbraw/zinc/33/63/11/187336311.db2.gz QEGQZMRIBRPSNK-UHFFFAOYSA-N 0 0 246.379 3.668 20 0 BHADRN COc1ccc(N[C@H](C)c2cnccc2C)cc1 ZINC000271982263 175155358 /nfs/dbraw/zinc/15/53/58/175155358.db2.gz XIMNSVOCTRIWNZ-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@@H](C)c2cnccc2C)cc1 ZINC000271983530 175153731 /nfs/dbraw/zinc/15/37/31/175153731.db2.gz XIMNSVOCTRIWNZ-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1cccc(N[C@H](C)c2cccc(CO)c2)c1 ZINC000271983681 179156423 /nfs/dbraw/zinc/15/64/23/179156423.db2.gz XRTIHQSPSNWSBE-CYBMUJFWSA-N 0 0 241.334 3.660 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cccc(CO)c2)c1 ZINC000271983682 179153595 /nfs/dbraw/zinc/15/35/95/179153595.db2.gz XRTIHQSPSNWSBE-ZDUSSCGKSA-N 0 0 241.334 3.660 20 0 BHADRN Cc1ccc(N[C@H](C)c2cccc(CO)c2)cc1 ZINC000271985056 518189328 /nfs/dbraw/zinc/18/93/28/518189328.db2.gz XVWZOIAWJZYIBV-CYBMUJFWSA-N 0 0 241.334 3.660 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cccc(CO)c2)cc1 ZINC000271985058 385866140 /nfs/dbraw/zinc/86/61/40/385866140.db2.gz XVWZOIAWJZYIBV-ZDUSSCGKSA-N 0 0 241.334 3.660 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cnn(CC(C)C)c2)o1 ZINC000271987184 385866687 /nfs/dbraw/zinc/86/66/87/385866687.db2.gz ICHOJNSBCDDDPD-GFCCVEGCSA-N 0 0 247.342 3.614 20 0 BHADRN Cc1ccc([C@H](C)Nc2cnn(CC(C)C)c2)o1 ZINC000271987186 385866239 /nfs/dbraw/zinc/86/62/39/385866239.db2.gz ICHOJNSBCDDDPD-LBPRGKRZSA-N 0 0 247.342 3.614 20 0 BHADRN CSc1ccc(C)c(NCc2ccn(C)c2)c1 ZINC000272015097 385867897 /nfs/dbraw/zinc/86/78/97/385867897.db2.gz WPCAAIGISRAMEA-UHFFFAOYSA-N 0 0 246.379 3.668 20 0 BHADRN Cc1cccnc1CSCCC(F)(F)F ZINC000272025638 179386861 /nfs/dbraw/zinc/38/68/61/179386861.db2.gz IMASPIJEZVDXTP-UHFFFAOYSA-N 0 0 235.274 3.576 20 0 BHADRN CSc1ccc(C)c(N[C@H]2CCSC2)c1 ZINC000272029493 389027831 /nfs/dbraw/zinc/02/78/31/389027831.db2.gz OMKCFHGTTCVMQZ-JTQLQIEISA-N 0 0 239.409 3.634 20 0 BHADRN CSc1ccc(C)c(N[C@@H]2CCSC2)c1 ZINC000272029496 175575080 /nfs/dbraw/zinc/57/50/80/175575080.db2.gz OMKCFHGTTCVMQZ-SNVBAGLBSA-N 0 0 239.409 3.634 20 0 BHADRN CC(C)Cn1cc(N[C@H](C)c2ccccc2)cn1 ZINC000272067128 385874113 /nfs/dbraw/zinc/87/41/13/385874113.db2.gz UTSAMHDBPYZXIG-CYBMUJFWSA-N 0 0 243.354 3.712 20 0 BHADRN CC(C)Cn1cc(N[C@@H](C)c2ccccc2)cn1 ZINC000272067130 385873593 /nfs/dbraw/zinc/87/35/93/385873593.db2.gz UTSAMHDBPYZXIG-ZDUSSCGKSA-N 0 0 243.354 3.712 20 0 BHADRN CC(C)Cn1cc(N[C@H](C)c2cccs2)cn1 ZINC000272070241 188377371 /nfs/dbraw/zinc/37/73/71/188377371.db2.gz VDFJDOBPNVNQHJ-LLVKDONJSA-N 0 0 249.383 3.774 20 0 BHADRN CC(C)Cn1cc(N[C@@H](C)c2cccs2)cn1 ZINC000272070242 385874178 /nfs/dbraw/zinc/87/41/78/385874178.db2.gz VDFJDOBPNVNQHJ-NSHDSACASA-N 0 0 249.383 3.774 20 0 BHADRN CC(=O)[C@@H](C)S[C@H](C)c1nc2ccccc2o1 ZINC000272077294 187335414 /nfs/dbraw/zinc/33/54/14/187335414.db2.gz DZYGVUXTZKTERG-NXEZZACHSA-N 0 0 249.335 3.600 20 0 BHADRN CC(=O)[C@H](C)S[C@@H](C)c1nc2ccccc2o1 ZINC000272077297 188555257 /nfs/dbraw/zinc/55/52/57/188555257.db2.gz DZYGVUXTZKTERG-UWVGGRQHSA-N 0 0 249.335 3.600 20 0 BHADRN CC(=O)[C@H](C)S[C@H](C)c1nc2ccccc2o1 ZINC000272077299 188555044 /nfs/dbraw/zinc/55/50/44/188555044.db2.gz DZYGVUXTZKTERG-VHSXEESVSA-N 0 0 249.335 3.600 20 0 BHADRN CC(=O)[C@@H](C)S[C@@H](C)c1nc2ccccc2o1 ZINC000272077300 187336301 /nfs/dbraw/zinc/33/63/01/187336301.db2.gz DZYGVUXTZKTERG-ZJUUUORDSA-N 0 0 249.335 3.600 20 0 BHADRN Cc1cccc(F)c1NC(=O)C=C1CCCCC1 ZINC000272082502 179110054 /nfs/dbraw/zinc/11/00/54/179110054.db2.gz MZAUUFYFDIGGBU-UHFFFAOYSA-N 0 0 247.313 3.963 20 0 BHADRN CC(C)c1ccc(C(=O)N2CCC=C(F)C2)cc1 ZINC000272099470 167585398 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APOCDQUWTZZRAP-XBXLSIANSA-N 0 0 245.322 3.552 20 0 BHADRN Cc1cccc(OCc2ncc(C3CC3)o2)c1F ZINC000272372209 179173487 /nfs/dbraw/zinc/17/34/87/179173487.db2.gz ACDMGKOCXRAPIM-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN CCc1noc(C)c1COc1cccc(C)c1F ZINC000272376551 172080994 /nfs/dbraw/zinc/08/09/94/172080994.db2.gz ATZQUCYDXMAWBL-UHFFFAOYSA-N 0 0 249.285 3.572 20 0 BHADRN C[C@@H](Nc1csc2ccccc12)[C@@H]1CCOC1 ZINC000272391206 411433541 /nfs/dbraw/zinc/43/35/41/411433541.db2.gz XXCSTZBTSLNBPZ-GHMZBOCLSA-N 0 0 247.363 3.738 20 0 BHADRN C[C@@H](Nc1csc2ccccc12)[C@H]1CCOC1 ZINC000272391207 411433534 /nfs/dbraw/zinc/43/35/34/411433534.db2.gz XXCSTZBTSLNBPZ-MNOVXSKESA-N 0 0 247.363 3.738 20 0 BHADRN C[C@H](Nc1csc2ccccc12)[C@H]1CCOC1 ZINC000272391208 411433503 /nfs/dbraw/zinc/43/35/03/411433503.db2.gz XXCSTZBTSLNBPZ-QWRGUYRKSA-N 0 0 247.363 3.738 20 0 BHADRN C[C@H](Nc1csc2ccccc12)[C@@H]1CCOC1 ZINC000272391209 411433178 /nfs/dbraw/zinc/43/31/78/411433178.db2.gz XXCSTZBTSLNBPZ-WDEREUQCSA-N 0 0 247.363 3.738 20 0 BHADRN CC(C)N(C)C(=O)Nc1csc2ccccc12 ZINC000272395171 187336295 /nfs/dbraw/zinc/33/62/95/187336295.db2.gz JHWDLOGRDPBBPI-UHFFFAOYSA-N 0 0 248.351 3.773 20 0 BHADRN O=C(Nc1csc2ccccc12)C1CCC1 ZINC000272407142 182397036 /nfs/dbraw/zinc/39/70/36/182397036.db2.gz YSUKVPJWFDMLSN-UHFFFAOYSA-N 0 0 231.320 3.640 20 0 BHADRN CCCC(=O)Nc1cc(Cl)ccc1NCC ZINC000272409574 389031353 /nfs/dbraw/zinc/03/13/53/389031353.db2.gz FNEJLXZUEBDJNL-UHFFFAOYSA-N 0 0 240.734 3.510 20 0 BHADRN C(=C/c1ccccc1)\CS[C@H]1CCCOC1 ZINC000272416569 188026304 /nfs/dbraw/zinc/02/63/04/188026304.db2.gz HHBMPVNEQXLHAC-GPAKFWEMSA-N 0 0 234.364 3.612 20 0 BHADRN C(=C/c1ccccc1)\CS[C@@H]1CCCOC1 ZINC000272416572 188377232 /nfs/dbraw/zinc/37/72/32/188377232.db2.gz HHBMPVNEQXLHAC-LHRNQBEKSA-N 0 0 234.364 3.612 20 0 BHADRN CC(C)c1nccn1CCCCC(F)(F)F ZINC000272421307 385902074 /nfs/dbraw/zinc/90/20/74/385902074.db2.gz IAFWPKDEPOCBLW-UHFFFAOYSA-N 0 0 234.265 3.739 20 0 BHADRN Cc1cccc(O)c1NC(=O)C=C1CCCCC1 ZINC000272439572 179160614 /nfs/dbraw/zinc/16/06/14/179160614.db2.gz IKYJRRVQTZCKAA-UHFFFAOYSA-N 0 0 245.322 3.530 20 0 BHADRN CN(C(=O)Nc1csc2ccccc12)C1CC1 ZINC000272460900 172324390 /nfs/dbraw/zinc/32/43/90/172324390.db2.gz QRRAZFMQKBXSDU-UHFFFAOYSA-N 0 0 246.335 3.527 20 0 BHADRN Cc1cccc(OCc2cnoc2C2CC2)c1F ZINC000272464488 385905595 /nfs/dbraw/zinc/90/55/95/385905595.db2.gz OLGFZXULIVHAJL-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(-c2csnn2)cc1 ZINC000272491857 188025988 /nfs/dbraw/zinc/02/59/88/188025988.db2.gz SMAARLKNIJTYNQ-JTQLQIEISA-N 0 0 247.367 3.662 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(-c2csnn2)cc1 ZINC000272491859 167386243 /nfs/dbraw/zinc/38/62/43/167386243.db2.gz SMAARLKNIJTYNQ-SNVBAGLBSA-N 0 0 247.367 3.662 20 0 BHADRN CCN(CC)C(=O)Nc1csc2ccccc12 ZINC000272494093 385906494 /nfs/dbraw/zinc/90/64/94/385906494.db2.gz UTQGIQSJVLHVJI-UHFFFAOYSA-N 0 0 248.351 3.775 20 0 BHADRN C[C@H](S[C@H]1CCCOC1)c1cccc(F)c1 ZINC000272494360 177028754 /nfs/dbraw/zinc/02/87/54/177028754.db2.gz SNWFLLYFQWBEMK-GWCFXTLKSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@H](S[C@@H]1CCCOC1)c1cccc(F)c1 ZINC000272494364 177028306 /nfs/dbraw/zinc/02/83/06/177028306.db2.gz SNWFLLYFQWBEMK-GXFFZTMASA-N 0 0 240.343 3.799 20 0 BHADRN C[C@@H](S[C@H]1CCCOC1)c1cccc(F)c1 ZINC000272494368 176009554 /nfs/dbraw/zinc/00/95/54/176009554.db2.gz SNWFLLYFQWBEMK-MFKMUULPSA-N 0 0 240.343 3.799 20 0 BHADRN C[C@@H](S[C@@H]1CCCOC1)c1cccc(F)c1 ZINC000272494369 176008630 /nfs/dbraw/zinc/00/86/30/176008630.db2.gz SNWFLLYFQWBEMK-ZWNOBZJWSA-N 0 0 240.343 3.799 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cscc1C ZINC000272498069 385909441 /nfs/dbraw/zinc/90/94/41/385909441.db2.gz GIHMAURDGYCERE-PSASIEDQSA-N 0 0 225.357 3.677 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cscc1C ZINC000272498071 385909127 /nfs/dbraw/zinc/90/91/27/385909127.db2.gz GIHMAURDGYCERE-SCZZXKLOSA-N 0 0 225.357 3.677 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cscc1C ZINC000272498073 171360646 /nfs/dbraw/zinc/36/06/46/171360646.db2.gz GIHMAURDGYCERE-WCBMZHEXSA-N 0 0 225.357 3.677 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cscc1C ZINC000272498075 171385254 /nfs/dbraw/zinc/38/52/54/171385254.db2.gz GIHMAURDGYCERE-WPRPVWTQSA-N 0 0 225.357 3.677 20 0 BHADRN C[C@H](S[C@H]1CCCOC1)c1ccccc1 ZINC000272501925 177028636 /nfs/dbraw/zinc/02/86/36/177028636.db2.gz ULFQODYWQQLBKS-AAEUAGOBSA-N 0 0 222.353 3.660 20 0 BHADRN C[C@@H](S[C@@H]1CCCOC1)c1ccccc1 ZINC000272501928 176009199 /nfs/dbraw/zinc/00/91/99/176009199.db2.gz ULFQODYWQQLBKS-DGCLKSJQSA-N 0 0 222.353 3.660 20 0 BHADRN C[C@H](S[C@@H]1CCCOC1)c1ccccc1 ZINC000272501929 177028417 /nfs/dbraw/zinc/02/84/17/177028417.db2.gz ULFQODYWQQLBKS-WCQYABFASA-N 0 0 222.353 3.660 20 0 BHADRN C[C@@H](S[C@H]1CCCOC1)c1ccccc1 ZINC000272501933 176009659 /nfs/dbraw/zinc/00/96/59/176009659.db2.gz ULFQODYWQQLBKS-YPMHNXCESA-N 0 0 222.353 3.660 20 0 BHADRN O=C(Nc1csc2ccccc12)NC1CCC1 ZINC000272509371 182396802 /nfs/dbraw/zinc/39/68/02/182396802.db2.gz WTENBYMRTHOOMG-UHFFFAOYSA-N 0 0 246.335 3.575 20 0 BHADRN CC(C)Oc1cc(F)ccc1NCc1cc[nH]c1 ZINC000272515266 167286961 /nfs/dbraw/zinc/28/69/61/167286961.db2.gz YTUBAXFRUZBYMW-UHFFFAOYSA-N 0 0 248.301 3.553 20 0 BHADRN CC(C)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000272562755 167138064 /nfs/dbraw/zinc/13/80/64/167138064.db2.gz FCXASVQYRQENEV-GFCCVEGCSA-N 0 0 245.288 3.548 20 0 BHADRN CC(C)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000272562757 167132677 /nfs/dbraw/zinc/13/26/77/167132677.db2.gz FCXASVQYRQENEV-LBPRGKRZSA-N 0 0 245.288 3.548 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(F)c1F ZINC000272566393 385913617 /nfs/dbraw/zinc/91/36/17/385913617.db2.gz VZLRAPNOYGBVMC-BDAKNGLRSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(F)c1F ZINC000272566394 171360493 /nfs/dbraw/zinc/36/04/93/171360493.db2.gz VZLRAPNOYGBVMC-DTWKUNHWSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cccc(F)c1F ZINC000272566395 171385403 /nfs/dbraw/zinc/38/54/03/171385403.db2.gz VZLRAPNOYGBVMC-IUCAKERBSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(F)c1F ZINC000272566396 385913655 /nfs/dbraw/zinc/91/36/55/385913655.db2.gz VZLRAPNOYGBVMC-RKDXNWHRSA-N 0 0 241.281 3.586 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)cccc1F ZINC000272580439 171360947 /nfs/dbraw/zinc/36/09/47/171360947.db2.gz QSVSEHXDVATJHE-GXSJLCMTSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)cccc1F ZINC000272580441 170787935 /nfs/dbraw/zinc/78/79/35/170787935.db2.gz QSVSEHXDVATJHE-KOLCDFICSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)cccc1F ZINC000272580442 385915292 /nfs/dbraw/zinc/91/52/92/385915292.db2.gz QSVSEHXDVATJHE-MWLCHTKSSA-N 0 0 237.318 3.755 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1c(C)cccc1F ZINC000272580444 171385412 /nfs/dbraw/zinc/38/54/12/171385412.db2.gz QSVSEHXDVATJHE-ONGXEEELSA-N 0 0 237.318 3.755 20 0 BHADRN COc1ccccc1[C@@H](C)SC[C@@H](C)OC ZINC000272729109 175346563 /nfs/dbraw/zinc/34/65/63/175346563.db2.gz BKQMJAGMJCQRIU-GHMZBOCLSA-N 0 0 240.368 3.524 20 0 BHADRN COc1ccccc1[C@H](C)SC[C@@H](C)OC ZINC000272729113 175352020 /nfs/dbraw/zinc/35/20/20/175352020.db2.gz BKQMJAGMJCQRIU-MNOVXSKESA-N 0 0 240.368 3.524 20 0 BHADRN COc1ccccc1[C@H](C)SC[C@H](C)OC ZINC000272729118 175351483 /nfs/dbraw/zinc/35/14/83/175351483.db2.gz BKQMJAGMJCQRIU-QWRGUYRKSA-N 0 0 240.368 3.524 20 0 BHADRN COc1ccccc1[C@@H](C)SC[C@H](C)OC ZINC000272729122 175345906 /nfs/dbraw/zinc/34/59/06/175345906.db2.gz BKQMJAGMJCQRIU-WDEREUQCSA-N 0 0 240.368 3.524 20 0 BHADRN c1ccc(-c2noc([C@H]3CCCCS3)n2)cc1 ZINC000272791268 183385401 /nfs/dbraw/zinc/38/54/01/183385401.db2.gz DEVOXGWIDBTJPB-LLVKDONJSA-N 0 0 246.335 3.695 20 0 BHADRN c1ccc(-c2noc([C@@H]3CCCCS3)n2)cc1 ZINC000272791271 183384639 /nfs/dbraw/zinc/38/46/39/183384639.db2.gz DEVOXGWIDBTJPB-NSHDSACASA-N 0 0 246.335 3.695 20 0 BHADRN CCCCN(C(=O)[C@H](C)c1ccccc1)C1CC1 ZINC000272901142 168755762 /nfs/dbraw/zinc/75/57/62/168755762.db2.gz DEAYQJYZBQYIJN-CYBMUJFWSA-N 0 0 245.366 3.581 20 0 BHADRN CCCCN(C(=O)[C@@H](C)c1ccccc1)C1CC1 ZINC000272901143 397988275 /nfs/dbraw/zinc/98/82/75/397988275.db2.gz DEAYQJYZBQYIJN-ZDUSSCGKSA-N 0 0 245.366 3.581 20 0 BHADRN Cc1ncccc1NC(=O)C1(C)CCCCCC1 ZINC000272923888 180224802 /nfs/dbraw/zinc/22/48/02/180224802.db2.gz HDDRIKJCSLGWKJ-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN Cc1ncccc1OCCCCC(F)(F)F ZINC000272960394 180228061 /nfs/dbraw/zinc/22/80/61/180228061.db2.gz ZVLPPSBTUGJAMM-UHFFFAOYSA-N 0 0 233.233 3.501 20 0 BHADRN CSc1ccccc1CN(C)Cc1ccco1 ZINC000272973318 385956714 /nfs/dbraw/zinc/95/67/14/385956714.db2.gz ZNWFVJXTZQUSPX-UHFFFAOYSA-N 0 0 247.363 3.634 20 0 BHADRN CCCCC(=O)N1CC[C@H](c2cccc(C)c2)C1 ZINC000273124519 168614933 /nfs/dbraw/zinc/61/49/33/168614933.db2.gz RXWWETNNAKSZBN-HNNXBMFYSA-N 0 0 245.366 3.501 20 0 BHADRN CCCCC(=O)N1CC[C@@H](c2cccc(C)c2)C1 ZINC000273124520 385971502 /nfs/dbraw/zinc/97/15/02/385971502.db2.gz RXWWETNNAKSZBN-OAHLLOKOSA-N 0 0 245.366 3.501 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N(C)c1ccccn1 ZINC000273200848 188199689 /nfs/dbraw/zinc/19/96/89/188199689.db2.gz FCKSDAPIPOGHIC-GFCCVEGCSA-N 0 0 248.370 3.507 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N(C)c1ccccn1 ZINC000273200850 397994658 /nfs/dbraw/zinc/99/46/58/397994658.db2.gz FCKSDAPIPOGHIC-LBPRGKRZSA-N 0 0 248.370 3.507 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccccc1NCCC ZINC000273265117 385984986 /nfs/dbraw/zinc/98/49/86/385984986.db2.gz GJRPSOSDAFTSES-XYOKQWHBSA-N 0 0 246.354 3.803 20 0 BHADRN CC(C)(C)N(Cc1ccccc1)C(=O)CC1CC1 ZINC000273297913 166609085 /nfs/dbraw/zinc/60/90/85/166609085.db2.gz QTMUMHAKKOXECR-UHFFFAOYSA-N 0 0 245.366 3.614 20 0 BHADRN CCCNc1ccccc1NC(=O)C1CCCC1 ZINC000273344175 169295151 /nfs/dbraw/zinc/29/51/51/169295151.db2.gz LTBCZPJVGCXTOL-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CCCCC(=O)Nc1ccccc1NCCC ZINC000273360020 168627345 /nfs/dbraw/zinc/62/73/45/168627345.db2.gz OKNUWBQTVDTDJW-UHFFFAOYSA-N 0 0 234.343 3.637 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N(C)c1cccnc1 ZINC000273403089 187336596 /nfs/dbraw/zinc/33/65/96/187336596.db2.gz PLIYZNVMVDGXGH-GFCCVEGCSA-N 0 0 248.370 3.507 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N(C)c1cccnc1 ZINC000273403093 175659520 /nfs/dbraw/zinc/65/95/20/175659520.db2.gz PLIYZNVMVDGXGH-LBPRGKRZSA-N 0 0 248.370 3.507 20 0 BHADRN CCCNc1ccccc1NC(=O)CC1CCC1 ZINC000273433806 169295197 /nfs/dbraw/zinc/29/51/97/169295197.db2.gz ZJVFKFXFOPRIMK-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN C[C@@H]1CCN(C(=O)Nc2ccccc2)CC1(C)C ZINC000273443708 176159729 /nfs/dbraw/zinc/15/97/29/176159729.db2.gz DPJRLBQJHXQPEX-GFCCVEGCSA-N 0 0 246.354 3.587 20 0 BHADRN C[C@H]1CCN(C(=O)Nc2ccccc2)CC1(C)C ZINC000273443713 177151551 /nfs/dbraw/zinc/15/15/51/177151551.db2.gz DPJRLBQJHXQPEX-LBPRGKRZSA-N 0 0 246.354 3.587 20 0 BHADRN CCSc1nnc(SCC=C(C)C)s1 ZINC000273444449 386001086 /nfs/dbraw/zinc/00/10/86/386001086.db2.gz NUFXPOGKDAPJEA-UHFFFAOYSA-N 0 0 246.426 3.708 20 0 BHADRN Oc1cccc(SCc2ncc(C3CC3)o2)c1 ZINC000273452323 183294278 /nfs/dbraw/zinc/29/42/78/183294278.db2.gz LKYPHNGIWHYQON-UHFFFAOYSA-N 0 0 247.319 3.550 20 0 BHADRN CCc1noc(C)c1CSc1cccc(O)c1 ZINC000273472856 172080486 /nfs/dbraw/zinc/08/04/86/172080486.db2.gz OWEPHOKIOPUETN-UHFFFAOYSA-N 0 0 249.335 3.543 20 0 BHADRN Oc1cccc(SCc2cnoc2C2CC2)c1 ZINC000273489203 183293937 /nfs/dbraw/zinc/29/39/37/183293937.db2.gz RZMXEUFWYGGLEG-UHFFFAOYSA-N 0 0 247.319 3.550 20 0 BHADRN CSCc1ccccc1NC(=O)[C@@H]1CC1(C)C ZINC000273519275 175532674 /nfs/dbraw/zinc/53/26/74/175532674.db2.gz FSSRVLRIHGTSIU-NSHDSACASA-N 0 0 249.379 3.534 20 0 BHADRN CCSCCSCc1cnoc1C1CC1 ZINC000273586153 386014961 /nfs/dbraw/zinc/01/49/61/386014961.db2.gz GNDKVVPFBMYEFH-UHFFFAOYSA-N 0 0 243.397 3.538 20 0 BHADRN CCSCCS[C@@H](C)c1cccnc1 ZINC000273594982 170639998 /nfs/dbraw/zinc/63/99/98/170639998.db2.gz IEXIYMRINSIDFJ-JTQLQIEISA-N 0 0 227.398 3.629 20 0 BHADRN CCSCCS[C@H](C)c1cccnc1 ZINC000273594984 170640100 /nfs/dbraw/zinc/64/01/00/170640100.db2.gz IEXIYMRINSIDFJ-SNVBAGLBSA-N 0 0 227.398 3.629 20 0 BHADRN CSCc1ccccc1NC(=O)CCC1CC1 ZINC000273606378 386016391 /nfs/dbraw/zinc/01/63/91/386016391.db2.gz WOZCISMWHFUQAB-UHFFFAOYSA-N 0 0 249.379 3.678 20 0 BHADRN CCSCCSCc1ncc(C2CC2)o1 ZINC000273621532 170639889 /nfs/dbraw/zinc/63/98/89/170639889.db2.gz ORKOEFPVVZKZPL-UHFFFAOYSA-N 0 0 243.397 3.538 20 0 BHADRN CCc1ccccc1-c1noc(C(C)(C)F)n1 ZINC000273633968 386018909 /nfs/dbraw/zinc/01/89/09/386018909.db2.gz AYDXHWARAJRBQX-UHFFFAOYSA-N 0 0 234.274 3.504 20 0 BHADRN Cc1cccc(-c2noc([C@H]3CCCS3)n2)c1 ZINC000273648351 179000548 /nfs/dbraw/zinc/00/05/48/179000548.db2.gz CRFNZDYHTWPILU-LLVKDONJSA-N 0 0 246.335 3.613 20 0 BHADRN Cc1cccc(-c2noc([C@@H]3CCCS3)n2)c1 ZINC000273648354 187336571 /nfs/dbraw/zinc/33/65/71/187336571.db2.gz CRFNZDYHTWPILU-NSHDSACASA-N 0 0 246.335 3.613 20 0 BHADRN CCC(=Cc1nc(-c2ncccc2C)no1)CC ZINC000273654355 168196751 /nfs/dbraw/zinc/19/67/51/168196751.db2.gz DTTLGNIAFKZSSQ-UHFFFAOYSA-N 0 0 243.310 3.643 20 0 BHADRN CCC(=Cc1nc(CCC(F)(F)F)no1)CC ZINC000273663361 168196832 /nfs/dbraw/zinc/19/68/32/168196832.db2.gz GAGIJNFVIKGOJE-UHFFFAOYSA-N 0 0 248.248 3.768 20 0 BHADRN Cc1cccc(-c2noc([C@H](C)C(C)(C)C)n2)n1 ZINC000273672718 538928112 /nfs/dbraw/zinc/92/81/12/538928112.db2.gz APDKVDTWOPKRJE-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1cccc(-c2noc([C@@H](C)C(C)(C)C)n2)n1 ZINC000273672721 538927899 /nfs/dbraw/zinc/92/78/99/538927899.db2.gz APDKVDTWOPKRJE-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN CCSCCNc1cccc(C(F)F)c1 ZINC000273678577 389042355 /nfs/dbraw/zinc/04/23/55/389042355.db2.gz GTQXODHEQWOIIO-UHFFFAOYSA-N 0 0 231.311 3.789 20 0 BHADRN CCSCCNc1ccc(-c2cnco2)cc1 ZINC000273697271 386025914 /nfs/dbraw/zinc/02/59/14/386025914.db2.gz IUHTVVPPAJTHOW-UHFFFAOYSA-N 0 0 248.351 3.507 20 0 BHADRN CO[C@@H](C)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000273707896 386025230 /nfs/dbraw/zinc/02/52/30/386025230.db2.gz KQJIGGXWBYPHGK-JTQLQIEISA-N 0 0 246.310 3.567 20 0 BHADRN CO[C@H](C)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC000273707899 386025001 /nfs/dbraw/zinc/02/50/01/386025001.db2.gz KQJIGGXWBYPHGK-SNVBAGLBSA-N 0 0 246.310 3.567 20 0 BHADRN CC(C)(C)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000273713445 386025556 /nfs/dbraw/zinc/02/55/56/386025556.db2.gz MRNSXKNWOSHXMQ-UHFFFAOYSA-N 0 0 241.294 3.515 20 0 BHADRN CCCCc1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000273713494 187336940 /nfs/dbraw/zinc/33/69/40/187336940.db2.gz MSPKLJHFTCQGIV-UHFFFAOYSA-N 0 0 241.294 3.561 20 0 BHADRN CCCCc1nc(-c2cccc3[nH]ccc32)no1 ZINC000273719527 188556090 /nfs/dbraw/zinc/55/60/90/188556090.db2.gz JHVNOUUNPIWGAD-UHFFFAOYSA-N 0 0 241.294 3.561 20 0 BHADRN CCC(CC)c1noc(/C=C/c2cccnc2)n1 ZINC000273727188 386028058 /nfs/dbraw/zinc/02/80/58/386028058.db2.gz ALRMKOFSLHGFKL-BQYQJAHWSA-N 0 0 243.310 3.539 20 0 BHADRN CCC(CC)c1noc(-c2cc(C(C)C)on2)n1 ZINC000273731308 386027786 /nfs/dbraw/zinc/02/77/86/386027786.db2.gz AWLWZLPIPKZGBB-UHFFFAOYSA-N 0 0 249.314 3.752 20 0 BHADRN CC(C)(C)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000273737727 188200311 /nfs/dbraw/zinc/20/03/11/188200311.db2.gz LPAPDKWJEPGYSY-UHFFFAOYSA-N 0 0 241.294 3.515 20 0 BHADRN Cc1ccc(-c2noc([C@H](C)C(C)(C)C)n2)cn1 ZINC000273751423 178343550 /nfs/dbraw/zinc/34/35/50/178343550.db2.gz MKOPGKMIRRFVFE-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1ccc(-c2noc([C@@H](C)C(C)(C)C)n2)cn1 ZINC000273751426 178343777 /nfs/dbraw/zinc/34/37/77/178343777.db2.gz MKOPGKMIRRFVFE-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN Cc1ccnc(-c2noc([C@H](C)C(C)(C)C)n2)c1 ZINC000273754784 188378263 /nfs/dbraw/zinc/37/82/63/188378263.db2.gz MTJBHUVRAGTCFN-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1ccnc(-c2noc([C@@H](C)C(C)(C)C)n2)c1 ZINC000273754789 188200296 /nfs/dbraw/zinc/20/02/96/188200296.db2.gz MTJBHUVRAGTCFN-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN CCc1cccnc1-c1noc(C(CC)CC)n1 ZINC000273755345 386032851 /nfs/dbraw/zinc/03/28/51/386032851.db2.gz APGJOBMBAFJXKM-UHFFFAOYSA-N 0 0 245.326 3.598 20 0 BHADRN CCOc1ccccc1-c1noc(C=C(C)C)n1 ZINC000273766570 386033520 /nfs/dbraw/zinc/03/35/20/386033520.db2.gz TUZYEXDJNMYZBE-UHFFFAOYSA-N 0 0 244.294 3.559 20 0 BHADRN Cc1cccnc1-c1noc([C@H](C)C(C)(C)C)n1 ZINC000273770382 179358316 /nfs/dbraw/zinc/35/83/16/179358316.db2.gz UKFWOLUBUZKHEJ-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1cccnc1-c1noc([C@@H](C)C(C)(C)C)n1 ZINC000273770385 179358954 /nfs/dbraw/zinc/35/89/54/179358954.db2.gz UKFWOLUBUZKHEJ-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN CCOc1ccccc1-c1noc([C@@H](C)CC)n1 ZINC000273776028 386035475 /nfs/dbraw/zinc/03/54/75/386035475.db2.gz UZUYKKISGUPKSV-JTQLQIEISA-N 0 0 246.310 3.649 20 0 BHADRN CCOc1ccccc1-c1noc([C@H](C)CC)n1 ZINC000273776031 386035301 /nfs/dbraw/zinc/03/53/01/386035301.db2.gz UZUYKKISGUPKSV-SNVBAGLBSA-N 0 0 246.310 3.649 20 0 BHADRN CCC(CC)c1noc(-c2cc(C3CC3)on2)n1 ZINC000273779662 386035181 /nfs/dbraw/zinc/03/51/81/386035181.db2.gz FWYGFMIFMNPEST-UHFFFAOYSA-N 0 0 247.298 3.506 20 0 BHADRN CCc1ccccc1-c1noc([C@@H](C)SC)n1 ZINC000273789228 386034854 /nfs/dbraw/zinc/03/48/54/386034854.db2.gz WQSXODNMVBLLIV-SECBINFHSA-N 0 0 248.351 3.723 20 0 BHADRN CCc1ccccc1-c1noc([C@H](C)SC)n1 ZINC000273789232 386034868 /nfs/dbraw/zinc/03/48/68/386034868.db2.gz WQSXODNMVBLLIV-VIFPVBQESA-N 0 0 248.351 3.723 20 0 BHADRN CC/C=C(\C)c1nc(-c2ncccc2CC)no1 ZINC000273802703 386038246 /nfs/dbraw/zinc/03/82/46/386038246.db2.gz FHFXBKADQUIXSQ-JXMROGBWSA-N 0 0 243.310 3.507 20 0 BHADRN CC[C@@H](C)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000273812827 386039805 /nfs/dbraw/zinc/03/98/05/386039805.db2.gz WDNUOHUFJRXNAF-SECBINFHSA-N 0 0 241.294 3.731 20 0 BHADRN CC[C@H](C)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000273812829 386041378 /nfs/dbraw/zinc/04/13/78/386041378.db2.gz WDNUOHUFJRXNAF-VIFPVBQESA-N 0 0 241.294 3.731 20 0 BHADRN CCC(=Cc1nc(-c2ccc(C)nc2)no1)CC ZINC000273816808 168196897 /nfs/dbraw/zinc/19/68/97/168196897.db2.gz NGQTYJAMRFGGGV-UHFFFAOYSA-N 0 0 243.310 3.643 20 0 BHADRN CC(C)(C)/C=C/c1nc(CCC(F)(F)F)no1 ZINC000273824097 166517106 /nfs/dbraw/zinc/51/71/06/166517106.db2.gz OBTGBVNYGXBAJJ-AATRIKPKSA-N 0 0 248.248 3.624 20 0 BHADRN Cc1ccc(Cl)cc1-c1noc(C2CC2)n1 ZINC000273825307 386041446 /nfs/dbraw/zinc/04/14/46/386041446.db2.gz JJGBIBUVODEXAO-UHFFFAOYSA-N 0 0 234.686 3.576 20 0 BHADRN CCC(CC)c1noc([C@@H](C)c2cccnc2)n1 ZINC000273827759 386040435 /nfs/dbraw/zinc/04/04/35/386040435.db2.gz JORJDKBQLMDTFM-JTQLQIEISA-N 0 0 245.326 3.520 20 0 BHADRN CCC(CC)c1noc([C@H](C)c2cccnc2)n1 ZINC000273827763 386041698 /nfs/dbraw/zinc/04/16/98/386041698.db2.gz JORJDKBQLMDTFM-SNVBAGLBSA-N 0 0 245.326 3.520 20 0 BHADRN CSC[C@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000273828314 386041686 /nfs/dbraw/zinc/04/16/86/386041686.db2.gz YPWPXQYRTGNFAC-JTQLQIEISA-N 0 0 248.351 3.512 20 0 BHADRN CSC[C@@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000273828319 386040291 /nfs/dbraw/zinc/04/02/91/386040291.db2.gz YPWPXQYRTGNFAC-SNVBAGLBSA-N 0 0 248.351 3.512 20 0 BHADRN CCS[C@H](C)c1noc(-c2cccs2)n1 ZINC000273829224 386039655 /nfs/dbraw/zinc/03/96/55/386039655.db2.gz DLJOIHGSZZCQFP-SSDOTTSWSA-N 0 0 240.353 3.612 20 0 BHADRN CCS[C@@H](C)c1noc(-c2cccs2)n1 ZINC000273829225 386041094 /nfs/dbraw/zinc/04/10/94/386041094.db2.gz DLJOIHGSZZCQFP-ZETCQYMHSA-N 0 0 240.353 3.612 20 0 BHADRN CC(C)CC(=O)N1CCCC[C@H]1c1ccccc1 ZINC000273829913 538928265 /nfs/dbraw/zinc/92/82/65/538928265.db2.gz DQIAUXCHTJVXPC-HNNXBMFYSA-N 0 0 245.366 3.786 20 0 BHADRN CC(C)CC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000273829915 538928164 /nfs/dbraw/zinc/92/81/64/538928164.db2.gz DQIAUXCHTJVXPC-OAHLLOKOSA-N 0 0 245.366 3.786 20 0 BHADRN CCSCCNc1cccc(-c2ncco2)c1 ZINC000273835768 170639864 /nfs/dbraw/zinc/63/98/64/170639864.db2.gz YZULIBZKXFSMRR-UHFFFAOYSA-N 0 0 248.351 3.507 20 0 BHADRN C[C@H](c1cccs1)c1noc(C2CCC2)n1 ZINC000273840283 176041672 /nfs/dbraw/zinc/04/16/72/176041672.db2.gz JJQWLWYYCQASOX-MRVPVSSYSA-N 0 0 234.324 3.550 20 0 BHADRN C[C@@H](c1cccs1)c1noc(C2CCC2)n1 ZINC000273840286 177055210 /nfs/dbraw/zinc/05/52/10/177055210.db2.gz JJQWLWYYCQASOX-QMMMGPOBSA-N 0 0 234.324 3.550 20 0 BHADRN CCC(CC)c1noc(-c2occc2C)n1 ZINC000273854814 386046472 /nfs/dbraw/zinc/04/64/72/386046472.db2.gz LUWGHXHGIPHEID-UHFFFAOYSA-N 0 0 220.272 3.542 20 0 BHADRN CCCCc1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000273857740 187512138 /nfs/dbraw/zinc/51/21/38/187512138.db2.gz DFHIAASPGCNHMF-UHFFFAOYSA-N 0 0 241.294 3.561 20 0 BHADRN Cc1ccccc1-c1nc([C@@H](C)C2CC2)no1 ZINC000273863021 179238630 /nfs/dbraw/zinc/23/86/30/179238630.db2.gz DDBDZSCBEAZXNB-JTQLQIEISA-N 0 0 228.295 3.559 20 0 BHADRN Cc1ccccc1-c1nc([C@H](C)C2CC2)no1 ZINC000273863027 179238201 /nfs/dbraw/zinc/23/82/01/179238201.db2.gz DDBDZSCBEAZXNB-SNVBAGLBSA-N 0 0 228.295 3.559 20 0 BHADRN C[C@@H]1CCC[C@@H](c2noc(Cc3ccco3)n2)C1 ZINC000273863485 644521249 /nfs/dbraw/zinc/52/12/49/644521249.db2.gz DYDWHBHUWMCJAM-GHMZBOCLSA-N 0 0 246.310 3.547 20 0 BHADRN C[C@@H]1CCC[C@H](c2noc(Cc3ccco3)n2)C1 ZINC000273863487 644521337 /nfs/dbraw/zinc/52/13/37/644521337.db2.gz DYDWHBHUWMCJAM-MNOVXSKESA-N 0 0 246.310 3.547 20 0 BHADRN C[C@H]1CCC[C@H](c2noc(Cc3ccco3)n2)C1 ZINC000273863489 644521459 /nfs/dbraw/zinc/52/14/59/644521459.db2.gz DYDWHBHUWMCJAM-QWRGUYRKSA-N 0 0 246.310 3.547 20 0 BHADRN C[C@H]1CCC[C@@H](c2noc(Cc3ccco3)n2)C1 ZINC000273863490 644521519 /nfs/dbraw/zinc/52/15/19/644521519.db2.gz DYDWHBHUWMCJAM-WDEREUQCSA-N 0 0 246.310 3.547 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(Cc2ccco2)n1 ZINC000273868114 538928812 /nfs/dbraw/zinc/92/88/12/538928812.db2.gz NCLAICZOWOCURS-CMPLNLGQSA-N 0 0 246.310 3.547 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(Cc2ccco2)n1 ZINC000273868116 538928386 /nfs/dbraw/zinc/92/83/86/538928386.db2.gz NCLAICZOWOCURS-JQWIXIFHSA-N 0 0 246.310 3.547 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(Cc2ccco2)n1 ZINC000273868118 538928492 /nfs/dbraw/zinc/92/84/92/538928492.db2.gz NCLAICZOWOCURS-PWSUYJOCSA-N 0 0 246.310 3.547 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(Cc2ccco2)n1 ZINC000273868120 538928521 /nfs/dbraw/zinc/92/85/21/538928521.db2.gz NCLAICZOWOCURS-ZYHUDNBSSA-N 0 0 246.310 3.547 20 0 BHADRN Cc1ccc(-c2nc([C@@H]3CCOC3)cs2)cc1 ZINC000273876485 178335801 /nfs/dbraw/zinc/33/58/01/178335801.db2.gz LAAMRRWLWMMVDP-GFCCVEGCSA-N 0 0 245.347 3.622 20 0 BHADRN Cc1ccc(-c2nc([C@H]3CCOC3)cs2)cc1 ZINC000273876489 178337262 /nfs/dbraw/zinc/33/72/62/178337262.db2.gz LAAMRRWLWMMVDP-LBPRGKRZSA-N 0 0 245.347 3.622 20 0 BHADRN Cc1ccc(F)cc1-c1noc(C2CC=CC2)n1 ZINC000273882286 386045642 /nfs/dbraw/zinc/04/56/42/386045642.db2.gz UZWJKOAZMKNKPI-UHFFFAOYSA-N 0 0 244.269 3.618 20 0 BHADRN C=Cc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)cc1 ZINC000273885092 188027361 /nfs/dbraw/zinc/02/73/61/188027361.db2.gz AKIQSAMAPQVGDY-GFCCVEGCSA-N 0 0 243.350 3.590 20 0 BHADRN CC/C=C(\C)c1nc([C@@H](C)SCC)no1 ZINC000273885097 386048035 /nfs/dbraw/zinc/04/80/35/386048035.db2.gz IUWJTPSDJPEAOW-FCZSHJHJSA-N 0 0 226.345 3.697 20 0 BHADRN C=Cc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc1 ZINC000273885099 386049056 /nfs/dbraw/zinc/04/90/56/386049056.db2.gz AKIQSAMAPQVGDY-LBPRGKRZSA-N 0 0 243.350 3.590 20 0 BHADRN CC/C=C(\C)c1nc([C@H](C)SCC)no1 ZINC000273885100 386047339 /nfs/dbraw/zinc/04/73/39/386047339.db2.gz IUWJTPSDJPEAOW-FLOXNTQESA-N 0 0 226.345 3.697 20 0 BHADRN CC(C)=CC(=O)N1CCCC[C@H]1c1ccccc1 ZINC000273892719 642803071 /nfs/dbraw/zinc/80/30/71/642803071.db2.gz NCAVGOMQJUHLTK-HNNXBMFYSA-N 0 0 243.350 3.706 20 0 BHADRN CC(C)=CC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000273892721 642803119 /nfs/dbraw/zinc/80/31/19/642803119.db2.gz NCAVGOMQJUHLTK-OAHLLOKOSA-N 0 0 243.350 3.706 20 0 BHADRN Cc1cscc1-c1nc([C@H](C)C2CC2)no1 ZINC000273895232 386048937 /nfs/dbraw/zinc/04/89/37/386048937.db2.gz GLQQXNPFCHDBCL-MRVPVSSYSA-N 0 0 234.324 3.620 20 0 BHADRN Cc1cscc1-c1nc([C@@H](C)C2CC2)no1 ZINC000273895235 386047516 /nfs/dbraw/zinc/04/75/16/386047516.db2.gz GLQQXNPFCHDBCL-QMMMGPOBSA-N 0 0 234.324 3.620 20 0 BHADRN C[C@@H](c1noc(C(C)(C)C)n1)c1cccs1 ZINC000273899401 176041516 /nfs/dbraw/zinc/04/15/16/176041516.db2.gz OBNQMXLYBSNSCE-MRVPVSSYSA-N 0 0 236.340 3.580 20 0 BHADRN C[C@H](c1noc(C(C)(C)C)n1)c1cccs1 ZINC000273899404 177055213 /nfs/dbraw/zinc/05/52/13/177055213.db2.gz OBNQMXLYBSNSCE-QMMMGPOBSA-N 0 0 236.340 3.580 20 0 BHADRN CC[C@H](C)C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000273899405 538928804 /nfs/dbraw/zinc/92/88/04/538928804.db2.gz OBFDRCPRBKDHKE-DZGCQCFKSA-N 0 0 245.366 3.786 20 0 BHADRN CC[C@@H](C)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000273899408 538928504 /nfs/dbraw/zinc/92/85/04/538928504.db2.gz OBFDRCPRBKDHKE-HIFRSBDPSA-N 0 0 245.366 3.786 20 0 BHADRN CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000273899412 538928601 /nfs/dbraw/zinc/92/86/01/538928601.db2.gz OBFDRCPRBKDHKE-UKRRQHHQSA-N 0 0 245.366 3.786 20 0 BHADRN CC[C@H](C)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000273899415 538928496 /nfs/dbraw/zinc/92/84/96/538928496.db2.gz OBFDRCPRBKDHKE-ZFWWWQNUSA-N 0 0 245.366 3.786 20 0 BHADRN Cc1cc(F)ccc1-c1noc(C2CC=CC2)n1 ZINC000273900033 178080466 /nfs/dbraw/zinc/08/04/66/178080466.db2.gz PVAVVVPVFAPFNA-UHFFFAOYSA-N 0 0 244.269 3.618 20 0 BHADRN CC[C@@H](C)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000273901074 386048700 /nfs/dbraw/zinc/04/87/00/386048700.db2.gz JBRTVBPMZDRJTP-SECBINFHSA-N 0 0 241.294 3.731 20 0 BHADRN CC[C@H](C)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000273901075 386048298 /nfs/dbraw/zinc/04/82/98/386048298.db2.gz JBRTVBPMZDRJTP-VIFPVBQESA-N 0 0 241.294 3.731 20 0 BHADRN C/C=C(\C)C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000273901411 642964435 /nfs/dbraw/zinc/96/44/35/642964435.db2.gz OGAKRDPUNRGCTJ-JMFZVXOESA-N 0 0 243.350 3.706 20 0 BHADRN C/C=C(\C)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000273901412 642965187 /nfs/dbraw/zinc/96/51/87/642965187.db2.gz OGAKRDPUNRGCTJ-TVBJEHIUSA-N 0 0 243.350 3.706 20 0 BHADRN O=C(CC1CC1)N1CCCC[C@H]1c1ccccc1 ZINC000273907655 538928527 /nfs/dbraw/zinc/92/85/27/538928527.db2.gz PAJVURHXWJSZJN-HNNXBMFYSA-N 0 0 243.350 3.540 20 0 BHADRN O=C(CC1CC1)N1CCCC[C@@H]1c1ccccc1 ZINC000273907656 538928676 /nfs/dbraw/zinc/92/86/76/538928676.db2.gz PAJVURHXWJSZJN-OAHLLOKOSA-N 0 0 243.350 3.540 20 0 BHADRN CC(C)(C)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000273917169 188557580 /nfs/dbraw/zinc/55/75/80/188557580.db2.gz KULXGCNZCCVGOB-UHFFFAOYSA-N 0 0 241.294 3.515 20 0 BHADRN CC(C)=Cc1nc([C@H](C)c2cccs2)no1 ZINC000273926765 386051449 /nfs/dbraw/zinc/05/14/49/386051449.db2.gz PXSLQOOXIQMLLW-SECBINFHSA-N 0 0 234.324 3.706 20 0 BHADRN CC(C)=Cc1nc([C@@H](C)c2cccs2)no1 ZINC000273926766 187849093 /nfs/dbraw/zinc/84/90/93/187849093.db2.gz PXSLQOOXIQMLLW-VIFPVBQESA-N 0 0 234.324 3.706 20 0 BHADRN C[C@H](c1cccs1)c1noc(C2CC=CC2)n1 ZINC000273928671 176041465 /nfs/dbraw/zinc/04/14/65/176041465.db2.gz QCBIWUKJJMJMLR-SECBINFHSA-N 0 0 246.335 3.717 20 0 BHADRN C[C@@H](c1cccs1)c1noc(C2CC=CC2)n1 ZINC000273928674 177055514 /nfs/dbraw/zinc/05/55/14/177055514.db2.gz QCBIWUKJJMJMLR-VIFPVBQESA-N 0 0 246.335 3.717 20 0 BHADRN C[C@H](CSC[C@@H]1CCOC1)c1ccccc1 ZINC000273928856 386051767 /nfs/dbraw/zinc/05/17/67/386051767.db2.gz RJUPJDYVSJTULM-CHWSQXEVSA-N 0 0 236.380 3.560 20 0 BHADRN C[C@H](CSC[C@H]1CCOC1)c1ccccc1 ZINC000273928857 386051025 /nfs/dbraw/zinc/05/10/25/386051025.db2.gz RJUPJDYVSJTULM-OLZOCXBDSA-N 0 0 236.380 3.560 20 0 BHADRN C[C@@H](CSC[C@@H]1CCOC1)c1ccccc1 ZINC000273928858 386050544 /nfs/dbraw/zinc/05/05/44/386050544.db2.gz RJUPJDYVSJTULM-QWHCGFSZSA-N 0 0 236.380 3.560 20 0 BHADRN C[C@@H](CSC[C@H]1CCOC1)c1ccccc1 ZINC000273928859 175765016 /nfs/dbraw/zinc/76/50/16/175765016.db2.gz RJUPJDYVSJTULM-STQMWFEESA-N 0 0 236.380 3.560 20 0 BHADRN c1ccc(-c2nc([C@H]3CCCCS3)no2)cc1 ZINC000273930943 183383455 /nfs/dbraw/zinc/38/34/55/183383455.db2.gz HNBAFGRSQVRLFU-LLVKDONJSA-N 0 0 246.335 3.695 20 0 BHADRN c1ccc(-c2nc([C@@H]3CCCCS3)no2)cc1 ZINC000273930944 183382611 /nfs/dbraw/zinc/38/26/11/183382611.db2.gz HNBAFGRSQVRLFU-NSHDSACASA-N 0 0 246.335 3.695 20 0 BHADRN Cc1cccc(-c2nc([C@@H]3CCOC3)cs2)c1 ZINC000273938743 178997135 /nfs/dbraw/zinc/99/71/35/178997135.db2.gz SQLTVMPPJKPRDV-GFCCVEGCSA-N 0 0 245.347 3.622 20 0 BHADRN Cc1cccc(-c2nc([C@H]3CCOC3)cs2)c1 ZINC000273938744 178996670 /nfs/dbraw/zinc/99/66/70/178996670.db2.gz SQLTVMPPJKPRDV-LBPRGKRZSA-N 0 0 245.347 3.622 20 0 BHADRN C[C@@H](c1cccs1)c1nc([C@H](C)C2CC2)no1 ZINC000273955701 177052937 /nfs/dbraw/zinc/05/29/37/177052937.db2.gz KGLDNJDRJLXGLW-BDAKNGLRSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@H](c1cccs1)c1nc([C@@H](C)C2CC2)no1 ZINC000273955704 176038245 /nfs/dbraw/zinc/03/82/45/176038245.db2.gz KGLDNJDRJLXGLW-DTWKUNHWSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@@H](c1cccs1)c1nc([C@@H](C)C2CC2)no1 ZINC000273955706 177056115 /nfs/dbraw/zinc/05/61/15/177056115.db2.gz KGLDNJDRJLXGLW-IUCAKERBSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@@H](c1noc([C@H](C)c2cccs2)n1)C1CC1 ZINC000273955709 176039514 /nfs/dbraw/zinc/03/95/14/176039514.db2.gz KGLDNJDRJLXGLW-RKDXNWHRSA-N 0 0 248.351 3.796 20 0 BHADRN CCc1cnccc1-c1noc(C(CC)CC)n1 ZINC000273969398 351554598 /nfs/dbraw/zinc/55/45/98/351554598.db2.gz TXZSUKZEQZSIET-UHFFFAOYSA-N 0 0 245.326 3.598 20 0 BHADRN O=C(C1CCC1)N1CCCC[C@H]1c1ccccc1 ZINC000273978761 538928410 /nfs/dbraw/zinc/92/84/10/538928410.db2.gz YOSQQYGSRUHYBV-HNNXBMFYSA-N 0 0 243.350 3.540 20 0 BHADRN O=C(C1CCC1)N1CCCC[C@@H]1c1ccccc1 ZINC000273978775 538928486 /nfs/dbraw/zinc/92/84/86/538928486.db2.gz YOSQQYGSRUHYBV-OAHLLOKOSA-N 0 0 243.350 3.540 20 0 BHADRN CCC[C@H](C)c1nc(-c2ccncc2CC)no1 ZINC000274010196 386058530 /nfs/dbraw/zinc/05/85/30/386058530.db2.gz XOVUQYJFGPAIDG-JTQLQIEISA-N 0 0 245.326 3.598 20 0 BHADRN CCC[C@@H](C)c1nc(-c2ccncc2CC)no1 ZINC000274010200 169373914 /nfs/dbraw/zinc/37/39/14/169373914.db2.gz XOVUQYJFGPAIDG-SNVBAGLBSA-N 0 0 245.326 3.598 20 0 BHADRN C[C@@H](c1cccs1)c1noc([C@H](C)C2CC2)n1 ZINC000274011965 177056627 /nfs/dbraw/zinc/05/66/27/177056627.db2.gz XSJXICSUJVEYIZ-BDAKNGLRSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@H](c1cccs1)c1noc([C@@H](C)C2CC2)n1 ZINC000274011968 176041871 /nfs/dbraw/zinc/04/18/71/176041871.db2.gz XSJXICSUJVEYIZ-DTWKUNHWSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@@H](c1cccs1)c1noc([C@@H](C)C2CC2)n1 ZINC000274011969 177053254 /nfs/dbraw/zinc/05/32/54/177053254.db2.gz XSJXICSUJVEYIZ-IUCAKERBSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@@H](c1nc([C@H](C)c2cccs2)no1)C1CC1 ZINC000274011972 176041773 /nfs/dbraw/zinc/04/17/73/176041773.db2.gz XSJXICSUJVEYIZ-RKDXNWHRSA-N 0 0 248.351 3.796 20 0 BHADRN CC/C=C(\C)c1nc(-c2ccncc2CC)no1 ZINC000274013736 386059005 /nfs/dbraw/zinc/05/90/05/386059005.db2.gz XVIKJIORAPRVFF-UXBLZVDNSA-N 0 0 243.310 3.507 20 0 BHADRN C[C@@H](c1nc([C@H](C)C2CC2)no1)c1ccccc1 ZINC000274015162 187337246 /nfs/dbraw/zinc/33/72/46/187337246.db2.gz OUXYSVFCJWNBPT-GHMZBOCLSA-N 0 0 242.322 3.735 20 0 BHADRN C[C@@H](c1noc([C@@H](C)c2ccccc2)n1)C1CC1 ZINC000274015163 176023985 /nfs/dbraw/zinc/02/39/85/176023985.db2.gz OUXYSVFCJWNBPT-MNOVXSKESA-N 0 0 242.322 3.735 20 0 BHADRN C[C@H](c1nc([C@@H](C)C2CC2)no1)c1ccccc1 ZINC000274015164 176023504 /nfs/dbraw/zinc/02/35/04/176023504.db2.gz OUXYSVFCJWNBPT-QWRGUYRKSA-N 0 0 242.322 3.735 20 0 BHADRN C[C@@H](c1nc([C@@H](C)C2CC2)no1)c1ccccc1 ZINC000274015165 177056282 /nfs/dbraw/zinc/05/62/82/177056282.db2.gz OUXYSVFCJWNBPT-WDEREUQCSA-N 0 0 242.322 3.735 20 0 BHADRN CCS[C@H](C)c1noc([C@@H]2CC=CCC2)n1 ZINC000274017409 170651450 /nfs/dbraw/zinc/65/14/50/170651450.db2.gz SOTVQVMWFUAWKE-NXEZZACHSA-N 0 0 238.356 3.707 20 0 BHADRN CCS[C@@H](C)c1noc([C@H]2CC=CCC2)n1 ZINC000274017412 386061662 /nfs/dbraw/zinc/06/16/62/386061662.db2.gz SOTVQVMWFUAWKE-UWVGGRQHSA-N 0 0 238.356 3.707 20 0 BHADRN CCS[C@@H](C)c1noc([C@@H]2CC=CCC2)n1 ZINC000274017415 386061947 /nfs/dbraw/zinc/06/19/47/386061947.db2.gz SOTVQVMWFUAWKE-VHSXEESVSA-N 0 0 238.356 3.707 20 0 BHADRN CCS[C@H](C)c1noc([C@H]2CC=CCC2)n1 ZINC000274017418 170651158 /nfs/dbraw/zinc/65/11/58/170651158.db2.gz SOTVQVMWFUAWKE-ZJUUUORDSA-N 0 0 238.356 3.707 20 0 BHADRN CCC(CC)c1noc(COc2ccccc2)n1 ZINC000274018465 386062241 /nfs/dbraw/zinc/06/22/41/386062241.db2.gz RZOYEEJBNIHBJS-UHFFFAOYSA-N 0 0 246.310 3.552 20 0 BHADRN CCC(CC)c1noc(-c2cc(C(C)C)no2)n1 ZINC000274018503 386062362 /nfs/dbraw/zinc/06/23/62/386062362.db2.gz SAFVSTMFLLBDGT-UHFFFAOYSA-N 0 0 249.314 3.752 20 0 BHADRN CC/C=C(\C)c1nc([C@H]2CCCCS2)no1 ZINC000274027566 386062256 /nfs/dbraw/zinc/06/22/56/386062256.db2.gz OFYDCAIDAXIXEV-OLKPEBQYSA-N 0 0 238.356 3.841 20 0 BHADRN CC/C=C(\C)c1nc([C@@H]2CCCCS2)no1 ZINC000274027568 386061840 /nfs/dbraw/zinc/06/18/40/386061840.db2.gz OFYDCAIDAXIXEV-ZKXNXJMVSA-N 0 0 238.356 3.841 20 0 BHADRN FC1=CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000274029521 490287315 /nfs/dbraw/zinc/28/73/15/490287315.db2.gz DFNQJNWGYAJURR-UHFFFAOYSA-N 0 0 241.256 3.683 20 0 BHADRN CC(=O)[C@@H](C)SCc1ccc(C(F)F)cc1 ZINC000274032703 398001309 /nfs/dbraw/zinc/00/13/09/398001309.db2.gz HRTJPGAUDDSGNE-SECBINFHSA-N 0 0 244.306 3.835 20 0 BHADRN CC(=O)[C@H](C)SCc1ccc(C(F)F)cc1 ZINC000274034146 188378617 /nfs/dbraw/zinc/37/86/17/188378617.db2.gz HRTJPGAUDDSGNE-VIFPVBQESA-N 0 0 244.306 3.835 20 0 BHADRN c1cc(-c2noc(C3CCCCCCC3)n2)no1 ZINC000274037974 183331827 /nfs/dbraw/zinc/33/18/27/183331827.db2.gz UPAULWAQHFHBBF-UHFFFAOYSA-N 0 0 247.298 3.553 20 0 BHADRN CCC[C@H](C)c1nc(-c2ncccc2CC)no1 ZINC000274038890 386065522 /nfs/dbraw/zinc/06/55/22/386065522.db2.gz WIQABEBUXNPQGN-JTQLQIEISA-N 0 0 245.326 3.598 20 0 BHADRN CCC[C@@H](C)c1nc(-c2ncccc2CC)no1 ZINC000274038893 169374108 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0 0 248.351 3.859 20 0 BHADRN CCS[C@H](C)c1noc(-c2ccccc2C)n1 ZINC000274104384 386070457 /nfs/dbraw/zinc/07/04/57/386070457.db2.gz YRZSBEZJKWVDHG-SNVBAGLBSA-N 0 0 248.351 3.859 20 0 BHADRN O=C(CCC1CCCC1)CSc1ccncc1 ZINC000274106223 386070352 /nfs/dbraw/zinc/07/03/52/386070352.db2.gz XNWLOPJMICUUOY-UHFFFAOYSA-N 0 0 249.379 3.713 20 0 BHADRN CCC1(C(=O)Nc2cccnc2C)CCCCC1 ZINC000274108735 386069560 /nfs/dbraw/zinc/06/95/60/386069560.db2.gz XYJAEXJTUOFAHJ-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN C=Cc1ccc(C(=O)N(CCC)CC2CC2)cc1 ZINC000274122984 188200594 /nfs/dbraw/zinc/20/05/94/188200594.db2.gz VISMVSKBXULGFC-UHFFFAOYSA-N 0 0 243.350 3.592 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1cccc(F)c1F ZINC000274139577 386075575 /nfs/dbraw/zinc/07/55/75/386075575.db2.gz GRBADTSLAXHGQY-SECBINFHSA-N 0 0 241.281 3.586 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1cccc(F)c1F ZINC000274139582 386075953 /nfs/dbraw/zinc/07/59/53/386075953.db2.gz GRBADTSLAXHGQY-VIFPVBQESA-N 0 0 241.281 3.586 20 0 BHADRN 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538929183 /nfs/dbraw/zinc/92/91/83/538929183.db2.gz RQCOZFSIHJEBOJ-NSHDSACASA-N 0 0 246.335 3.613 20 0 BHADRN Cc1ccc(-c2nc([C@H]3CCCS3)no2)cc1 ZINC000274215963 538929390 /nfs/dbraw/zinc/92/93/90/538929390.db2.gz TULYCFPAACIIDI-LLVKDONJSA-N 0 0 246.335 3.613 20 0 BHADRN Cc1ccc(-c2nc([C@@H]3CCCS3)no2)cc1 ZINC000274215966 538929393 /nfs/dbraw/zinc/92/93/93/538929393.db2.gz TULYCFPAACIIDI-NSHDSACASA-N 0 0 246.335 3.613 20 0 BHADRN Cc1cscc1NC(=O)[C@H](C)CC(C)C ZINC000274226069 386084315 /nfs/dbraw/zinc/08/43/15/386084315.db2.gz XSGGDTWDHONJBW-SECBINFHSA-N 0 0 225.357 3.677 20 0 BHADRN Cc1cscc1NC(=O)[C@@H](C)CC(C)C ZINC000274226071 386084499 /nfs/dbraw/zinc/08/44/99/386084499.db2.gz XSGGDTWDHONJBW-VIFPVBQESA-N 0 0 225.357 3.677 20 0 BHADRN Cc1ccccc1NCCCC1CCOCC1 ZINC000274226679 179305040 /nfs/dbraw/zinc/30/50/40/179305040.db2.gz RIEAYVLSCQOKHC-UHFFFAOYSA-N 0 0 233.355 3.614 20 0 BHADRN C=Cc1ccc(C(=O)N(C)[C@H](C)CCC)cc1 ZINC000274234183 386085150 /nfs/dbraw/zinc/08/51/50/386085150.db2.gz SLSUECHTJZDUEO-GFCCVEGCSA-N 0 0 231.339 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N(C)[C@@H](C)CCC)cc1 ZINC000274234185 188378449 /nfs/dbraw/zinc/37/84/49/188378449.db2.gz SLSUECHTJZDUEO-LBPRGKRZSA-N 0 0 231.339 3.590 20 0 BHADRN CC(C)(C)/C=C/c1nc([C@@H]2CCCS2)no1 ZINC000274254492 538929383 /nfs/dbraw/zinc/92/93/83/538929383.db2.gz XLGKIBZAUKOFBA-UCUJLANTSA-N 0 0 238.356 3.697 20 0 BHADRN CC(C)(C)/C=C/c1nc([C@H]2CCCS2)no1 ZINC000274254493 538929196 /nfs/dbraw/zinc/92/91/96/538929196.db2.gz XLGKIBZAUKOFBA-XCODYQFDSA-N 0 0 238.356 3.697 20 0 BHADRN CCN(C(=O)c1cccc2ccsc21)C1CC1 ZINC000274260689 386086447 /nfs/dbraw/zinc/08/64/47/386086447.db2.gz BZZIDAMHLHLARJ-UHFFFAOYSA-N 0 0 245.347 3.526 20 0 BHADRN CCCN(CC)C(=O)c1cccc2ccsc21 ZINC000274262995 169118643 /nfs/dbraw/zinc/11/86/43/169118643.db2.gz CVXXIIGGWHWSSR-UHFFFAOYSA-N 0 0 247.363 3.773 20 0 BHADRN CC(C)CN(C)C(=O)c1cccc2ccsc21 ZINC000274264573 398006058 /nfs/dbraw/zinc/00/60/58/398006058.db2.gz DOASUDZLQYMPAY-UHFFFAOYSA-N 0 0 247.363 3.629 20 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386090883 /nfs/dbraw/zinc/09/08/83/386090883.db2.gz NWTCEBVLVGZROD-SNAWJCMRSA-N 0 0 248.326 3.633 20 0 BHADRN Cc1cscc1N[C@H](C)c1cncc(C)c1 ZINC000274366146 389046763 /nfs/dbraw/zinc/04/67/63/389046763.db2.gz JQKAMZOYZFLBNC-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cscc1N[C@@H](C)c1cncc(C)c1 ZINC000274366148 179688762 /nfs/dbraw/zinc/68/87/62/179688762.db2.gz JQKAMZOYZFLBNC-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cc(N(C)C(=O)CCCC(C)(C)C)ccn1 ZINC000274370146 178093084 /nfs/dbraw/zinc/09/30/84/178093084.db2.gz WHPOZJKLXUCQPK-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CC1(NC(=O)c2cccc3ccsc32)CCC1 ZINC000274370231 168061209 /nfs/dbraw/zinc/06/12/09/168061209.db2.gz VRLVQXNTPLBGMG-UHFFFAOYSA-N 0 0 245.347 3.574 20 0 BHADRN Cc1cscc1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000274394617 386097083 /nfs/dbraw/zinc/09/70/83/386097083.db2.gz LMHJHUUUCJOYRJ-GXSJLCMTSA-N 0 0 237.368 3.821 20 0 BHADRN Cc1cscc1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000274394621 386097259 /nfs/dbraw/zinc/09/72/59/386097259.db2.gz 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386144668 /nfs/dbraw/zinc/14/46/68/386144668.db2.gz KYQKARVYGCEPLZ-UHFFFAOYSA-N 0 0 235.308 3.746 20 0 BHADRN COc1cc(C)c(NCc2occc2C)cc1F ZINC000274745764 386144564 /nfs/dbraw/zinc/14/45/64/386144564.db2.gz DHXOBYJVOWYHFQ-UHFFFAOYSA-N 0 0 249.285 3.656 20 0 BHADRN Cc1occc1S[C@@H](C)c1cccnc1 ZINC000274751692 180544823 /nfs/dbraw/zinc/54/48/23/180544823.db2.gz OLEVNNNEOGCXMQ-JTQLQIEISA-N 0 0 219.309 3.836 20 0 BHADRN Cc1occc1S[C@H](C)c1cccnc1 ZINC000274751696 386146305 /nfs/dbraw/zinc/14/63/05/386146305.db2.gz OLEVNNNEOGCXMQ-SNVBAGLBSA-N 0 0 219.309 3.836 20 0 BHADRN C/C(=C\C(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000274771793 188201137 /nfs/dbraw/zinc/20/11/37/188201137.db2.gz WRMQVIKXVYGLCJ-CSKARUKUSA-N 0 0 243.310 3.581 20 0 BHADRN Cc1nc(C)c(CSc2ccoc2C)s1 ZINC000274783795 386150075 /nfs/dbraw/zinc/15/00/75/386150075.db2.gz YOIKJRKOAQJAMQ-UHFFFAOYSA-N 0 0 239.365 3.954 20 0 BHADRN Cc1ccc(CNC(=O)C2=CCCCCC2)s1 ZINC000274799006 178591375 /nfs/dbraw/zinc/59/13/75/178591375.db2.gz 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BHADRN C/C=C(\CC)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000276891493 386385896 /nfs/dbraw/zinc/38/58/96/386385896.db2.gz LLRZQPWLWZHPAR-KJAJFCRCSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(\CC)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000276891495 188203021 /nfs/dbraw/zinc/20/30/21/188203021.db2.gz LLRZQPWLWZHPAR-LPJIXGNDSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(\CC)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000276891497 386385826 /nfs/dbraw/zinc/38/58/26/386385826.db2.gz LLRZQPWLWZHPAR-PCXDYHTOSA-N 0 0 243.350 3.562 20 0 BHADRN CCc1cc(O)ccc1NC(=O)CCC(C)(C)C ZINC000276895381 386389084 /nfs/dbraw/zinc/38/90/84/386389084.db2.gz NFNWZOPQTJLMQZ-UHFFFAOYSA-N 0 0 249.354 3.719 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc(O)cc1CC ZINC000276897467 169356880 /nfs/dbraw/zinc/35/68/80/169356880.db2.gz NJFLMBJJBDFMBF-LLVKDONJSA-N 0 0 249.354 3.719 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc(O)cc1CC ZINC000276897476 169478983 /nfs/dbraw/zinc/47/89/83/169478983.db2.gz NJFLMBJJBDFMBF-NSHDSACASA-N 0 0 249.354 3.719 20 0 BHADRN CCCNc1ccccc1NC(=O)CCC1CC1 ZINC000276904899 169295207 /nfs/dbraw/zinc/29/52/07/169295207.db2.gz WHFMVVJQIMRJSI-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CCc1cc(O)ccc1NC(=O)[C@H](C)C(C)(C)C ZINC000276909275 171770910 /nfs/dbraw/zinc/77/09/10/171770910.db2.gz OLXMUUPCTLSIOP-JTQLQIEISA-N 0 0 249.354 3.575 20 0 BHADRN CCc1cc(O)ccc1NC(=O)[C@@H](C)C(C)(C)C ZINC000276909278 188559511 /nfs/dbraw/zinc/55/95/11/188559511.db2.gz OLXMUUPCTLSIOP-SNVBAGLBSA-N 0 0 249.354 3.575 20 0 BHADRN FC1(F)CC(Nc2nc3ccccc3s2)C1 ZINC000276935657 180914917 /nfs/dbraw/zinc/91/49/17/180914917.db2.gz AHFRTLAXCWGPOX-UHFFFAOYSA-N 0 0 240.278 3.506 20 0 BHADRN CCCc1ccccc1NC(=O)CC(C)(F)F ZINC000276976904 169578630 /nfs/dbraw/zinc/57/86/30/169578630.db2.gz GJNYFQKMCMGQNJ-UHFFFAOYSA-N 0 0 241.281 3.623 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cc(C)c(O)c(C)c1C ZINC000277004838 170688775 /nfs/dbraw/zinc/68/87/75/170688775.db2.gz HGGYSHKOPLYWCL-SECBINFHSA-N 0 0 249.354 3.692 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cc(C)c(O)c(C)c1C ZINC000277004842 171262511 /nfs/dbraw/zinc/26/25/11/171262511.db2.gz HGGYSHKOPLYWCL-VIFPVBQESA-N 0 0 249.354 3.692 20 0 BHADRN C[C@H](CCc1ccccc1)N[C@H](C)C(F)(F)F ZINC000277042282 388352675 /nfs/dbraw/zinc/35/26/75/388352675.db2.gz BXCFIXVBAUBPHK-GHMZBOCLSA-N 0 0 245.288 3.548 20 0 BHADRN C[C@H](CCc1ccccc1)N[C@@H](C)C(F)(F)F ZINC000277042284 176909407 /nfs/dbraw/zinc/90/94/07/176909407.db2.gz BXCFIXVBAUBPHK-MNOVXSKESA-N 0 0 245.288 3.548 20 0 BHADRN C[C@@H](CCc1ccccc1)N[C@@H](C)C(F)(F)F ZINC000277042288 388352263 /nfs/dbraw/zinc/35/22/63/388352263.db2.gz BXCFIXVBAUBPHK-QWRGUYRKSA-N 0 0 245.288 3.548 20 0 BHADRN C[C@@H](N[C@@H](C)CCc1ccccc1)C(F)(F)F ZINC000277042292 175687126 /nfs/dbraw/zinc/68/71/26/175687126.db2.gz BXCFIXVBAUBPHK-WDEREUQCSA-N 0 0 245.288 3.548 20 0 BHADRN CCC(C)(C)CNC(=O)Nc1cscc1C ZINC000277072790 168279179 /nfs/dbraw/zinc/27/91/79/168279179.db2.gz LJFWXDIRPPSBBI-UHFFFAOYSA-N 0 0 240.372 3.614 20 0 BHADRN C[C@@H](N[C@H]1CCCc2sccc21)C(F)(F)F ZINC000277095447 388352854 /nfs/dbraw/zinc/35/28/54/388352854.db2.gz KZBNXHAKVGMGOO-APPZFPTMSA-N 0 0 249.301 3.666 20 0 BHADRN C[C@H](N[C@H]1CCCc2sccc21)C(F)(F)F ZINC000277095448 176923488 /nfs/dbraw/zinc/92/34/88/176923488.db2.gz KZBNXHAKVGMGOO-CBAPKCEASA-N 0 0 249.301 3.666 20 0 BHADRN C[C@H](N[C@@H]1CCCc2sccc21)C(F)(F)F ZINC000277095449 384687176 /nfs/dbraw/zinc/68/71/76/384687176.db2.gz KZBNXHAKVGMGOO-IONNQARKSA-N 0 0 249.301 3.666 20 0 BHADRN C[C@@H](N[C@@H]1CCCc2sccc21)C(F)(F)F ZINC000277095450 384688042 /nfs/dbraw/zinc/68/80/42/384688042.db2.gz KZBNXHAKVGMGOO-VXNVDRBHSA-N 0 0 249.301 3.666 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H](C)C(F)(F)F)s1 ZINC000277106268 388352352 /nfs/dbraw/zinc/35/23/52/388352352.db2.gz LXJQKAHSBQTJHF-HTQZYQBOSA-N 0 0 237.290 3.658 20 0 BHADRN Cc1ccc([C@H](C)N[C@H](C)C(F)(F)F)s1 ZINC000277106272 388352198 /nfs/dbraw/zinc/35/21/98/388352198.db2.gz LXJQKAHSBQTJHF-JGVFFNPUSA-N 0 0 237.290 3.658 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H](C)C(F)(F)F)s1 ZINC000277106275 388352290 /nfs/dbraw/zinc/35/22/90/388352290.db2.gz LXJQKAHSBQTJHF-SFYZADRCSA-N 0 0 237.290 3.658 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H](C)C(F)(F)F)s1 ZINC000277106278 388352242 /nfs/dbraw/zinc/35/22/42/388352242.db2.gz LXJQKAHSBQTJHF-YUMQZZPRSA-N 0 0 237.290 3.658 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H](C)C(F)(F)F)cc1 ZINC000277140789 388353225 /nfs/dbraw/zinc/35/32/25/388353225.db2.gz PFZKRZMJJJETDM-NXEZZACHSA-N 0 0 231.261 3.596 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H](C)C(F)(F)F)cc1 ZINC000277140792 388353815 /nfs/dbraw/zinc/35/38/15/388353815.db2.gz PFZKRZMJJJETDM-UWVGGRQHSA-N 0 0 231.261 3.596 20 0 BHADRN Cc1ccc([C@H](C)N[C@H](C)C(F)(F)F)cc1 ZINC000277140794 388353786 /nfs/dbraw/zinc/35/37/86/388353786.db2.gz PFZKRZMJJJETDM-VHSXEESVSA-N 0 0 231.261 3.596 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H](C)C(F)(F)F)cc1 ZINC000277140797 178845310 /nfs/dbraw/zinc/84/53/10/178845310.db2.gz PFZKRZMJJJETDM-ZJUUUORDSA-N 0 0 231.261 3.596 20 0 BHADRN Cc1nc(C2CCC(F)(F)CC2)cs1 ZINC000277143272 386410865 /nfs/dbraw/zinc/41/08/65/386410865.db2.gz ALCXANUZCOPJTF-UHFFFAOYSA-N 0 0 217.284 3.744 20 0 BHADRN C[C@H](CCN[C@H](C)C(F)(F)F)c1ccccc1 ZINC000277197684 176629879 /nfs/dbraw/zinc/62/98/79/176629879.db2.gz VKSDWMTXHJPLKJ-GHMZBOCLSA-N 0 0 245.288 3.721 20 0 BHADRN C[C@H](CCN[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000277197690 388353571 /nfs/dbraw/zinc/35/35/71/388353571.db2.gz VKSDWMTXHJPLKJ-MNOVXSKESA-N 0 0 245.288 3.721 20 0 BHADRN C[C@@H](CCN[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000277197694 175675816 /nfs/dbraw/zinc/67/58/16/175675816.db2.gz VKSDWMTXHJPLKJ-QWRGUYRKSA-N 0 0 245.288 3.721 20 0 BHADRN C[C@@H](NCC[C@H](C)c1ccccc1)C(F)(F)F ZINC000277197699 388353808 /nfs/dbraw/zinc/35/38/08/388353808.db2.gz VKSDWMTXHJPLKJ-WDEREUQCSA-N 0 0 245.288 3.721 20 0 BHADRN C/C=C(\CC)C(=O)Nc1c(C)cccc1Cl ZINC000277211760 386418383 /nfs/dbraw/zinc/41/83/83/386418383.db2.gz OTMYVTVDOZPXNC-ONNFQVAWSA-N 0 0 237.730 3.943 20 0 BHADRN CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000277213728 364761650 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C[C@H](O)[C@H](C)SCc1cccc(C(F)F)c1 ZINC000279830291 177012919 /nfs/dbraw/zinc/01/29/19/177012919.db2.gz BZYXGRLWQMUJBF-IUCAKERBSA-N 0 0 246.322 3.627 20 0 BHADRN C[C@@H](O)[C@@H](C)SCc1cccc(C(F)F)c1 ZINC000279830350 386741569 /nfs/dbraw/zinc/74/15/69/386741569.db2.gz BZYXGRLWQMUJBF-RKDXNWHRSA-N 0 0 246.322 3.627 20 0 BHADRN Cc1cccc(NCc2ccnn2C(C)C)c1F ZINC000279840921 179150696 /nfs/dbraw/zinc/15/06/96/179150696.db2.gz HPWFSFCVDQMFFD-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN C[C@H](CSCCCCCO)c1ccccc1 ZINC000279841382 386746719 /nfs/dbraw/zinc/74/67/19/386746719.db2.gz CXYSBFPFMVFMSJ-CYBMUJFWSA-N 0 0 238.396 3.686 20 0 BHADRN C[C@@H](CSCCCCCO)c1ccccc1 ZINC000279841384 386746341 /nfs/dbraw/zinc/74/63/41/386746341.db2.gz CXYSBFPFMVFMSJ-ZDUSSCGKSA-N 0 0 238.396 3.686 20 0 BHADRN Cc1cccc(C)c1NC(=O)NCCC1(C)CC1 ZINC000279864005 179040557 /nfs/dbraw/zinc/04/05/57/179040557.db2.gz BRYPWGKFSMTPJI-UHFFFAOYSA-N 0 0 246.354 3.615 20 0 BHADRN Cc1ccc(NC(=O)N2CCC(C)=C(C)C2)cc1 ZINC000279870568 168081463 /nfs/dbraw/zinc/08/14/63/168081463.db2.gz ACSIQMIFFIFBFC-UHFFFAOYSA-N 0 0 244.338 3.569 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ncccc1C ZINC000279871830 351827209 /nfs/dbraw/zinc/82/72/09/351827209.db2.gz JPJVEBWYXKPUNP-CHWSQXEVSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ncccc1C ZINC000279871833 170965888 /nfs/dbraw/zinc/96/58/88/170965888.db2.gz JPJVEBWYXKPUNP-OLZOCXBDSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)Nc1ncccc1C ZINC000279871836 386749653 /nfs/dbraw/zinc/74/96/53/386749653.db2.gz JPJVEBWYXKPUNP-QWHCGFSZSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)Nc1ncccc1C ZINC000279871838 386747511 /nfs/dbraw/zinc/74/75/11/386747511.db2.gz JPJVEBWYXKPUNP-STQMWFEESA-N 0 0 246.354 3.545 20 0 BHADRN CC(C)c1occc1C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000279881474 386752327 /nfs/dbraw/zinc/75/23/27/386752327.db2.gz BDLXMKLSLZGOGS-NEPJUHHUSA-N 0 0 249.354 3.712 20 0 BHADRN CC(C)c1occc1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000279881479 386752312 /nfs/dbraw/zinc/75/23/12/386752312.db2.gz BDLXMKLSLZGOGS-NWDGAFQWSA-N 0 0 249.354 3.712 20 0 BHADRN CC(C)c1occc1C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000279881484 386751488 /nfs/dbraw/zinc/75/14/88/386751488.db2.gz BDLXMKLSLZGOGS-RYUDHWBXSA-N 0 0 249.354 3.712 20 0 BHADRN CC(C)c1occc1C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000279881488 167732555 /nfs/dbraw/zinc/73/25/55/167732555.db2.gz BDLXMKLSLZGOGS-VXGBXAGGSA-N 0 0 249.354 3.712 20 0 BHADRN CCC[C@@H](CC)[S@](=O)Cc1ccc(C)cc1 ZINC000279888604 169381844 /nfs/dbraw/zinc/38/18/44/169381844.db2.gz BROUENFGFLJQPW-GDBMZVCRSA-N 0 0 238.396 3.822 20 0 BHADRN CCC[C@H](CC)[S@](=O)Cc1ccc(C)cc1 ZINC000279888608 386752760 /nfs/dbraw/zinc/75/27/60/386752760.db2.gz BROUENFGFLJQPW-GOEBONIOSA-N 0 0 238.396 3.822 20 0 BHADRN CCC[C@H](CC)[S@@](=O)Cc1ccc(C)cc1 ZINC000279888610 386750514 /nfs/dbraw/zinc/75/05/14/386750514.db2.gz BROUENFGFLJQPW-HOCLYGCPSA-N 0 0 238.396 3.822 20 0 BHADRN CCC[C@@H](CC)[S@@](=O)Cc1ccc(C)cc1 ZINC000279888614 169381428 /nfs/dbraw/zinc/38/14/28/169381428.db2.gz BROUENFGFLJQPW-ZBFHGGJFSA-N 0 0 238.396 3.822 20 0 BHADRN COCCCCOc1ccc2[nH]c(C)c(C)c2c1 ZINC000279890024 174207081 /nfs/dbraw/zinc/20/70/81/174207081.db2.gz OQNYHFSVGCTHSX-UHFFFAOYSA-N 0 0 247.338 3.590 20 0 BHADRN Cc1cncc(CSCCC(F)(F)F)c1 ZINC000279892122 386752316 /nfs/dbraw/zinc/75/23/16/386752316.db2.gz IFYVVLBLEQHFCX-UHFFFAOYSA-N 0 0 235.274 3.576 20 0 BHADRN CC(=O)[C@@H](C)SCc1cccc(C(F)F)c1 ZINC000279907374 188205415 /nfs/dbraw/zinc/20/54/15/188205415.db2.gz JNPKYGWLFULJFS-SECBINFHSA-N 0 0 244.306 3.835 20 0 BHADRN CC(=O)[C@H](C)SCc1cccc(C(F)F)c1 ZINC000279907377 188031879 /nfs/dbraw/zinc/03/18/79/188031879.db2.gz JNPKYGWLFULJFS-VIFPVBQESA-N 0 0 244.306 3.835 20 0 BHADRN CC(=O)CCSC[C@@H](C)c1ccccc1 ZINC000279917833 188031942 /nfs/dbraw/zinc/03/19/42/188031942.db2.gz KKRITPIWVQRNRV-LLVKDONJSA-N 0 0 222.353 3.502 20 0 BHADRN CC(=O)CCSC[C@H](C)c1ccccc1 ZINC000279917837 386755153 /nfs/dbraw/zinc/75/51/53/386755153.db2.gz KKRITPIWVQRNRV-NSHDSACASA-N 0 0 222.353 3.502 20 0 BHADRN CCCCC[S@](=O)C[C@H](C)c1ccccc1 ZINC000279920497 386755374 /nfs/dbraw/zinc/75/53/74/386755374.db2.gz FFFVUQMJEDZPNN-BBRMVZONSA-N 0 0 238.396 3.729 20 0 BHADRN CCCCC[S@](=O)C[C@@H](C)c1ccccc1 ZINC000279920500 386754182 /nfs/dbraw/zinc/75/41/82/386754182.db2.gz FFFVUQMJEDZPNN-CJNGLKHVSA-N 0 0 238.396 3.729 20 0 BHADRN CCCCC[S@@](=O)C[C@@H](C)c1ccccc1 ZINC000279920503 386753726 /nfs/dbraw/zinc/75/37/26/386753726.db2.gz FFFVUQMJEDZPNN-CZUORRHYSA-N 0 0 238.396 3.729 20 0 BHADRN CCCCC[S@@](=O)C[C@H](C)c1ccccc1 ZINC000279920505 386754803 /nfs/dbraw/zinc/75/48/03/386754803.db2.gz FFFVUQMJEDZPNN-XJKSGUPXSA-N 0 0 238.396 3.729 20 0 BHADRN COCCSCc1cccc(C(F)F)c1 ZINC000279924597 174376098 /nfs/dbraw/zinc/37/60/98/174376098.db2.gz KZLDGZFTCLXSPU-UHFFFAOYSA-N 0 0 232.295 3.504 20 0 BHADRN Cc1ccc2c(C(=O)N(C)C(C)C)csc2c1 ZINC000279934158 386757636 /nfs/dbraw/zinc/75/76/36/386757636.db2.gz GOHKZNJQVCNHPG-UHFFFAOYSA-N 0 0 247.363 3.690 20 0 BHADRN C[C@@H](SCCC(F)(F)F)c1cccnc1 ZINC000279937759 176008445 /nfs/dbraw/zinc/00/84/45/176008445.db2.gz LZNXUUPNMCKTTL-MRVPVSSYSA-N 0 0 235.274 3.828 20 0 BHADRN C[C@H](SCCC(F)(F)F)c1cccnc1 ZINC000279937762 177026751 /nfs/dbraw/zinc/02/67/51/177026751.db2.gz LZNXUUPNMCKTTL-QMMMGPOBSA-N 0 0 235.274 3.828 20 0 BHADRN CCC[C@H](CC)[S@@](=O)Cc1ccc(F)cc1 ZINC000279938538 398053625 /nfs/dbraw/zinc/05/36/25/398053625.db2.gz GTLJLZRHBJBSOR-BBRMVZONSA-N 0 0 242.359 3.653 20 0 BHADRN CCC[C@@H](CC)[S@@](=O)Cc1ccc(F)cc1 ZINC000279938542 169381225 /nfs/dbraw/zinc/38/12/25/169381225.db2.gz GTLJLZRHBJBSOR-CJNGLKHVSA-N 0 0 242.359 3.653 20 0 BHADRN CCC[C@@H](CC)[S@](=O)Cc1ccc(F)cc1 ZINC000279938547 169381903 /nfs/dbraw/zinc/38/19/03/169381903.db2.gz GTLJLZRHBJBSOR-CZUORRHYSA-N 0 0 242.359 3.653 20 0 BHADRN CCC[C@H](CC)[S@](=O)Cc1ccc(F)cc1 ZINC000279938553 398053462 /nfs/dbraw/zinc/05/34/62/398053462.db2.gz GTLJLZRHBJBSOR-XJKSGUPXSA-N 0 0 242.359 3.653 20 0 BHADRN N#CN(CCC(F)(F)F)c1cccc(Cl)c1 ZINC000279942612 181053283 /nfs/dbraw/zinc/05/32/83/181053283.db2.gz MLNPZKGSLDNAFF-UHFFFAOYSA-N 0 0 248.635 3.580 20 0 BHADRN CC(C)c1occc1C(=O)N(C)CC1CCCC1 ZINC000279960080 386760812 /nfs/dbraw/zinc/76/08/12/386760812.db2.gz CDFOLYDWQBDFFX-UHFFFAOYSA-N 0 0 249.354 3.665 20 0 BHADRN CC[C@H](C(=O)NC1(CC)CCC1)c1ccccc1 ZINC000279964178 171227142 /nfs/dbraw/zinc/22/71/42/171227142.db2.gz YHJAFONWISIZAI-AWEZNQCLSA-N 0 0 245.366 3.629 20 0 BHADRN CC[C@@H](C(=O)NC1(CC)CCC1)c1ccccc1 ZINC000279964179 386761171 /nfs/dbraw/zinc/76/11/71/386761171.db2.gz YHJAFONWISIZAI-CQSZACIVSA-N 0 0 245.366 3.629 20 0 BHADRN CCC[C@H](CC)SCC(=O)c1ccc[nH]1 ZINC000279967325 386762605 /nfs/dbraw/zinc/76/26/05/386762605.db2.gz OKXVESMXCTVZSQ-JTQLQIEISA-N 0 0 225.357 3.509 20 0 BHADRN CCC[C@@H](CC)SCC(=O)c1ccc[nH]1 ZINC000279967328 169381497 /nfs/dbraw/zinc/38/14/97/169381497.db2.gz OKXVESMXCTVZSQ-SNVBAGLBSA-N 0 0 225.357 3.509 20 0 BHADRN CCC(CC)C(=O)Nc1c(C)cccc1F ZINC000279977385 168339736 /nfs/dbraw/zinc/33/97/36/168339736.db2.gz ZDDOCVXBPMIKJG-UHFFFAOYSA-N 0 0 223.291 3.509 20 0 BHADRN CC(C)c1occc1C(=O)NCCC1CCCC1 ZINC000279982036 167732366 /nfs/dbraw/zinc/73/23/66/167732366.db2.gz KXLOOBTWMPEIBV-UHFFFAOYSA-N 0 0 249.354 3.713 20 0 BHADRN CC(C)n1ccc(NCCCCC(F)(F)F)n1 ZINC000279982187 187341633 /nfs/dbraw/zinc/34/16/33/187341633.db2.gz FQZRYUKGUURRBQ-UHFFFAOYSA-N 0 0 249.280 3.609 20 0 BHADRN FC(F)(F)CCSC/C(Cl)=C/Cl ZINC000279985738 385244323 /nfs/dbraw/zinc/24/43/23/385244323.db2.gz QNUATHDCPRSYLF-HYXAFXHYSA-N 0 0 239.089 3.991 20 0 BHADRN CCC[C@@H](CC)[S@](=O)CCc1ccccc1 ZINC000279989523 169381902 /nfs/dbraw/zinc/38/19/02/169381902.db2.gz LMTXOBQVRHGPIP-GDBMZVCRSA-N 0 0 238.396 3.557 20 0 BHADRN CCC[C@H](CC)[S@](=O)CCc1ccccc1 ZINC000279989525 386765375 /nfs/dbraw/zinc/76/53/75/386765375.db2.gz LMTXOBQVRHGPIP-GOEBONIOSA-N 0 0 238.396 3.557 20 0 BHADRN CCC[C@H](CC)[S@@](=O)CCc1ccccc1 ZINC000279989527 386767166 /nfs/dbraw/zinc/76/71/66/386767166.db2.gz LMTXOBQVRHGPIP-HOCLYGCPSA-N 0 0 238.396 3.557 20 0 BHADRN CCC[C@@H](CC)[S@@](=O)CCc1ccccc1 ZINC000279989529 169381217 /nfs/dbraw/zinc/38/12/17/169381217.db2.gz LMTXOBQVRHGPIP-ZBFHGGJFSA-N 0 0 238.396 3.557 20 0 BHADRN CCC[C@H](CC)[S@@](=O)Cc1cccc(F)c1 ZINC000279996843 386767454 /nfs/dbraw/zinc/76/74/54/386767454.db2.gz MITXJQGWYNXZEZ-BBRMVZONSA-N 0 0 242.359 3.653 20 0 BHADRN CCC[C@@H](CC)[S@@](=O)Cc1cccc(F)c1 ZINC000279996846 169380986 /nfs/dbraw/zinc/38/09/86/169380986.db2.gz MITXJQGWYNXZEZ-CJNGLKHVSA-N 0 0 242.359 3.653 20 0 BHADRN CCC[C@@H](CC)[S@](=O)Cc1cccc(F)c1 ZINC000279996848 169382053 /nfs/dbraw/zinc/38/20/53/169382053.db2.gz MITXJQGWYNXZEZ-CZUORRHYSA-N 0 0 242.359 3.653 20 0 BHADRN CCC[C@H](CC)[S@](=O)Cc1cccc(F)c1 ZINC000279996851 169497554 /nfs/dbraw/zinc/49/75/54/169497554.db2.gz MITXJQGWYNXZEZ-XJKSGUPXSA-N 0 0 242.359 3.653 20 0 BHADRN CC[C@@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 ZINC000279997983 351831720 /nfs/dbraw/zinc/83/17/20/351831720.db2.gz HINYUOXYNJABHR-GFCCVEGCSA-N 0 0 249.354 3.665 20 0 BHADRN CC[C@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 ZINC000279997986 386765819 /nfs/dbraw/zinc/76/58/19/386765819.db2.gz HINYUOXYNJABHR-LBPRGKRZSA-N 0 0 249.354 3.665 20 0 BHADRN CC(C)n1ccc(NCc2cccc(Cl)c2)n1 ZINC000280001494 386765894 /nfs/dbraw/zinc/76/58/94/386765894.db2.gz HUIGOWDVELDUGR-UHFFFAOYSA-N 0 0 249.745 3.730 20 0 BHADRN COc1cc(NC(=O)CC(C)(C)C)c(C)cc1C ZINC000280002537 386765769 /nfs/dbraw/zinc/76/57/69/386765769.db2.gz KISFLQTVTULKFX-UHFFFAOYSA-N 0 0 249.354 3.687 20 0 BHADRN CCC[C@@H](CC)SCCn1ccnc1C ZINC000280004037 169381182 /nfs/dbraw/zinc/38/11/82/169381182.db2.gz SNBILBFWBMZYNS-GFCCVEGCSA-N 0 0 226.389 3.503 20 0 BHADRN CCC[C@H](CC)SCCn1ccnc1C ZINC000280004038 386766112 /nfs/dbraw/zinc/76/61/12/386766112.db2.gz SNBILBFWBMZYNS-LBPRGKRZSA-N 0 0 226.389 3.503 20 0 BHADRN COc1cc(NC(=O)[C@H](C)C(C)C)c(C)cc1C ZINC000280006157 175000317 /nfs/dbraw/zinc/00/03/17/175000317.db2.gz KQCZKPDIADTQGP-GFCCVEGCSA-N 0 0 249.354 3.543 20 0 BHADRN COc1cc(NC(=O)[C@@H](C)C(C)C)c(C)cc1C ZINC000280006159 386768700 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385628549 /nfs/dbraw/zinc/62/85/49/385628549.db2.gz OIGMDTOGBZNTEO-LLVKDONJSA-N 0 0 249.354 3.856 20 0 BHADRN CCCCC[C@H](C)NC(=O)c1ccoc1C1CC1 ZINC000281029643 385627770 /nfs/dbraw/zinc/62/77/70/385627770.db2.gz OIGMDTOGBZNTEO-NSHDSACASA-N 0 0 249.354 3.856 20 0 BHADRN CC(=O)c1c(F)cccc1N1CCC(C)=C(C)C1 ZINC000281049748 132306931 /nfs/dbraw/zinc/30/69/31/132306931.db2.gz RYLFZGMHPFGOCG-UHFFFAOYSA-N 0 0 247.313 3.575 20 0 BHADRN CC(C)(C)CCC[S@](=O)c1cccs1 ZINC000281052675 166564894 /nfs/dbraw/zinc/56/48/94/166564894.db2.gz QRCQJGKGZJPIGX-AWEZNQCLSA-N 0 0 230.398 3.682 20 0 BHADRN CC(C)(C)CCC[S@@](=O)c1cccs1 ZINC000281052676 385630678 /nfs/dbraw/zinc/63/06/78/385630678.db2.gz QRCQJGKGZJPIGX-CQSZACIVSA-N 0 0 230.398 3.682 20 0 BHADRN Cc1ccc(NC(=O)c2ccoc2C2CC2)cc1 ZINC000281054117 385631050 /nfs/dbraw/zinc/63/10/50/385631050.db2.gz QWEJKSIQGFCWEW-UHFFFAOYSA-N 0 0 241.290 3.718 20 0 BHADRN CCC(C)(C)CNC(=O)c1ccoc1C(C)C ZINC000281059341 168280359 /nfs/dbraw/zinc/28/03/59/168280359.db2.gz STESLLRLMYWNEB-UHFFFAOYSA-N 0 0 237.343 3.569 20 0 BHADRN Cc1sc(-c2ccco2)nc1C1CC1 ZINC000281064410 385630884 /nfs/dbraw/zinc/63/08/84/385630884.db2.gz RZQUMJLTEYZZME-UHFFFAOYSA-N 0 0 205.282 3.589 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1ccc(O)cc1C ZINC000281078302 385632145 /nfs/dbraw/zinc/63/21/45/385632145.db2.gz DXYSNVGPKDCZNB-HNNXBMFYSA-N 0 0 249.354 3.856 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1ccc(O)cc1C ZINC000281078305 385632742 /nfs/dbraw/zinc/63/27/42/385632742.db2.gz DXYSNVGPKDCZNB-OAHLLOKOSA-N 0 0 249.354 3.856 20 0 BHADRN CCc1cc(C)cc(CC)c1NC(=O)C1CCC1 ZINC000281091499 385635485 /nfs/dbraw/zinc/63/54/85/385635485.db2.gz CVMIXWUTHKQPKV-UHFFFAOYSA-N 0 0 245.366 3.858 20 0 BHADRN Cc1ccccc1NC(=O)c1ccoc1C1CC1 ZINC000281093518 179303704 /nfs/dbraw/zinc/30/37/04/179303704.db2.gz VMOUEDJQVIHYJS-UHFFFAOYSA-N 0 0 241.290 3.718 20 0 BHADRN Cc1occc1[S@@](=O)CCCC(C)(C)C ZINC000281138219 385638375 /nfs/dbraw/zinc/63/83/75/385638375.db2.gz ZJUSRPPJDLLCTF-HNNXBMFYSA-N 0 0 228.357 3.522 20 0 BHADRN Cc1occc1[S@](=O)CCCC(C)(C)C ZINC000281138222 385636995 /nfs/dbraw/zinc/63/69/95/385636995.db2.gz ZJUSRPPJDLLCTF-OAHLLOKOSA-N 0 0 228.357 3.522 20 0 BHADRN COC[C@@H](C)SCc1cccc(C(F)F)c1 ZINC000281151538 385639924 /nfs/dbraw/zinc/63/99/24/385639924.db2.gz OMVGKIATJZDQOY-SECBINFHSA-N 0 0 246.322 3.892 20 0 BHADRN COC[C@H](C)SCc1cccc(C(F)F)c1 ZINC000281151544 385639803 /nfs/dbraw/zinc/63/98/03/385639803.db2.gz OMVGKIATJZDQOY-VIFPVBQESA-N 0 0 246.322 3.892 20 0 BHADRN CCc1cc(C)cc(CC)c1NC(=O)C(C)C ZINC000281173439 385642180 /nfs/dbraw/zinc/64/21/80/385642180.db2.gz KVBNIWACRHYIDL-UHFFFAOYSA-N 0 0 233.355 3.714 20 0 BHADRN CCC[C@](C)(CC)C(=O)N(C)c1ncccc1C ZINC000281174466 385640952 /nfs/dbraw/zinc/64/09/52/385640952.db2.gz ZAVQLOSWOOQIBY-HNNXBMFYSA-N 0 0 248.370 3.569 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N(C)c1ncccc1C ZINC000281174479 385641821 /nfs/dbraw/zinc/64/18/21/385641821.db2.gz ZAVQLOSWOOQIBY-OAHLLOKOSA-N 0 0 248.370 3.569 20 0 BHADRN Cc1cccc(NC(=O)c2ccoc2C(C)C)c1 ZINC000281179418 188206097 /nfs/dbraw/zinc/20/60/97/188206097.db2.gz QMPYEPDLUMLEAR-UHFFFAOYSA-N 0 0 243.306 3.964 20 0 BHADRN Cc1ccc(NC(=O)c2ccoc2C(C)C)cc1 ZINC000281185042 178752726 /nfs/dbraw/zinc/75/27/26/178752726.db2.gz QVEHIVIGNBTCDZ-UHFFFAOYSA-N 0 0 243.306 3.964 20 0 BHADRN C[C@@H](NCCF)c1cc(Cl)sc1Cl ZINC000281191636 385408377 /nfs/dbraw/zinc/40/83/77/385408377.db2.gz XNFHWTNNKUWAOK-RXMQYKEDSA-N 0 0 242.146 3.675 20 0 BHADRN C[C@H](NCCF)c1cc(Cl)sc1Cl ZINC000281191641 385408159 /nfs/dbraw/zinc/40/81/59/385408159.db2.gz XNFHWTNNKUWAOK-YFKPBYRVSA-N 0 0 242.146 3.675 20 0 BHADRN CO[C@H](C)CSCc1cccc(C(F)F)c1 ZINC000281197573 174838663 /nfs/dbraw/zinc/83/86/63/174838663.db2.gz RTYPTBVUEPFAFM-SECBINFHSA-N 0 0 246.322 3.892 20 0 BHADRN CO[C@@H](C)CSCc1cccc(C(F)F)c1 ZINC000281197575 385644550 /nfs/dbraw/zinc/64/45/50/385644550.db2.gz RTYPTBVUEPFAFM-VIFPVBQESA-N 0 0 246.322 3.892 20 0 BHADRN Cc1nn(C(C)C)cc1CNc1ccc(C)cc1 ZINC000281202150 178764629 /nfs/dbraw/zinc/76/46/29/178764629.db2.gz BVXPSDOKDITTHF-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN CC(C)c1occc1C(=O)NC1CCCCCC1 ZINC000281203023 167731819 /nfs/dbraw/zinc/73/18/19/167731819.db2.gz SEICDQJYUCJMOR-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN CC(C)CN(C(=O)c1ccoc1C1CC1)C(C)C ZINC000281210218 351880318 /nfs/dbraw/zinc/88/03/18/351880318.db2.gz NRDBEZMQLSMKMT-UHFFFAOYSA-N 0 0 249.354 3.664 20 0 BHADRN CCCCN(CC)C(=O)c1ccoc1C(C)C ZINC000281212195 385644172 /nfs/dbraw/zinc/64/41/72/385644172.db2.gz SQWWHUCSOKPAGC-UHFFFAOYSA-N 0 0 237.343 3.665 20 0 BHADRN CCc1cc(C)cc(CC)c1NC(=O)CC1CC1 ZINC000281220694 385646150 /nfs/dbraw/zinc/64/61/50/385646150.db2.gz OHOACUUWOUVHBA-UHFFFAOYSA-N 0 0 245.366 3.858 20 0 BHADRN Cc1nn(C(C)C)cc1CNc1ccccc1F ZINC000281232796 187342894 /nfs/dbraw/zinc/34/28/94/187342894.db2.gz DWTPSLVEVSKUNK-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN CC(C)(C)Nc1ccccc1NCc1cc[nH]c1 ZINC000281258485 385650969 /nfs/dbraw/zinc/65/09/69/385650969.db2.gz GTSWKFZFEOSXGY-UHFFFAOYSA-N 0 0 243.354 3.837 20 0 BHADRN CCCC[S@](=O)Cc1cccc(C(F)F)c1 ZINC000281279882 169016972 /nfs/dbraw/zinc/01/69/72/169016972.db2.gz XKIUIDYXZURKGO-INIZCTEOSA-N 0 0 246.322 3.673 20 0 BHADRN CCCC[S@@](=O)Cc1cccc(C(F)F)c1 ZINC000281279884 169016063 /nfs/dbraw/zinc/01/60/63/169016063.db2.gz XKIUIDYXZURKGO-MRXNPFEDSA-N 0 0 246.322 3.673 20 0 BHADRN CCCC(=O)Nc1c(CC)cc(C)cc1CC ZINC000281280937 385653452 /nfs/dbraw/zinc/65/34/52/385653452.db2.gz SUDCAVOZCOXCNJ-UHFFFAOYSA-N 0 0 233.355 3.858 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000281312724 188206443 /nfs/dbraw/zinc/20/64/43/188206443.db2.gz PMTDOHWPSKIMPA-IGLBNKAOSA-N 0 0 249.379 3.552 20 0 BHADRN Cc1nn(C(C)C)cc1CNc1ccccc1C ZINC000281313778 179305966 /nfs/dbraw/zinc/30/59/66/179305966.db2.gz KBVORRCMEGXDHK-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN CCN(C(=O)c1ccoc1C1CC1)C1CCCC1 ZINC000281324394 385658413 /nfs/dbraw/zinc/65/84/13/385658413.db2.gz VICYXEUXIBBTKC-UHFFFAOYSA-N 0 0 247.338 3.562 20 0 BHADRN C/C=C/C=C/c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000281327488 385657875 /nfs/dbraw/zinc/65/78/75/385657875.db2.gz JEOCDOGHFFAUMK-GTKKCLNISA-N 0 0 240.253 3.562 20 0 BHADRN C/C=C/C=C/c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281327491 188384942 /nfs/dbraw/zinc/38/49/42/188384942.db2.gz JEOCDOGHFFAUMK-RGZCDDGESA-N 0 0 240.253 3.562 20 0 BHADRN CC/C=C(\C)c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281338732 167840195 /nfs/dbraw/zinc/84/01/95/167840195.db2.gz JUDJVXQIVWKABU-SGDMMICCSA-N 0 0 242.269 3.786 20 0 BHADRN CC/C=C(\C)c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000281338733 385659404 /nfs/dbraw/zinc/65/94/04/385659404.db2.gz JUDJVXQIVWKABU-VGANXODHSA-N 0 0 242.269 3.786 20 0 BHADRN c1ccc(NCCCCC2CCOCC2)cc1 ZINC000281342867 385660092 /nfs/dbraw/zinc/66/00/92/385660092.db2.gz WQNPEVRPBAJTIB-UHFFFAOYSA-N 0 0 233.355 3.695 20 0 BHADRN CC(C)C[C@@H](C)Cn1ccc(=O)c2ccccc21 ZINC000281352243 385661286 /nfs/dbraw/zinc/66/12/86/385661286.db2.gz NDHWAKVBHWDAOE-CYBMUJFWSA-N 0 0 243.350 3.684 20 0 BHADRN CC(C)C[C@H](C)Cn1ccc(=O)c2ccccc21 ZINC000281352246 187343171 /nfs/dbraw/zinc/34/31/71/187343171.db2.gz NDHWAKVBHWDAOE-ZDUSSCGKSA-N 0 0 243.350 3.684 20 0 BHADRN CC(C)(C)CSCc1cncc(F)c1 ZINC000281394026 385666093 /nfs/dbraw/zinc/66/60/93/385666093.db2.gz DOKLPVLNZVKWTN-UHFFFAOYSA-N 0 0 213.321 3.500 20 0 BHADRN Cc1nn(C(C)C)cc1CNc1ccc(F)cc1 ZINC000281398882 187690628 /nfs/dbraw/zinc/69/06/28/187690628.db2.gz PNHIBPSSICPELA-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN CCCC1(CNC(=O)c2ccoc2C(C)C)CC1 ZINC000281405001 385667845 /nfs/dbraw/zinc/66/78/45/385667845.db2.gz HJFFBDBIKDDBDN-UHFFFAOYSA-N 0 0 249.354 3.713 20 0 BHADRN CC(C)(C)CSCc1nccn1C(F)F ZINC000281423359 385668322 /nfs/dbraw/zinc/66/83/22/385668322.db2.gz IHXWZAJIRUDFNC-UHFFFAOYSA-N 0 0 234.315 3.558 20 0 BHADRN CC(C)c1occc1C(=O)NCC1(C(C)C)CC1 ZINC000281435703 385670017 /nfs/dbraw/zinc/67/00/17/385670017.db2.gz JSHXKTJUDZSICA-UHFFFAOYSA-N 0 0 249.354 3.569 20 0 BHADRN CC(C)(C)CSCc1ccc(F)cn1 ZINC000281437376 166595180 /nfs/dbraw/zinc/59/51/80/166595180.db2.gz JZJKXRNWPIMMTH-UHFFFAOYSA-N 0 0 213.321 3.500 20 0 BHADRN CC(C)(C)CSCc1ncc(C2CC2)o1 ZINC000281454919 385672929 /nfs/dbraw/zinc/67/29/29/385672929.db2.gz LZKIWMDIHYWSPE-UHFFFAOYSA-N 0 0 225.357 3.831 20 0 BHADRN C[C@@H](O)CS[C@@H](C)c1ccccc1Cl ZINC000281489000 177027405 /nfs/dbraw/zinc/02/74/05/177027405.db2.gz QAWSFDQNSJVTIB-BDAKNGLRSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](SC[C@H](C)O)c1ccccc1Cl ZINC000281489005 385675416 /nfs/dbraw/zinc/67/54/16/385675416.db2.gz QAWSFDQNSJVTIB-DTWKUNHWSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@H](O)CS[C@@H](C)c1ccccc1Cl ZINC000281489007 385674141 /nfs/dbraw/zinc/67/41/41/385674141.db2.gz QAWSFDQNSJVTIB-IUCAKERBSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](O)CS[C@H](C)c1ccccc1Cl ZINC000281489011 385674392 /nfs/dbraw/zinc/67/43/92/385674392.db2.gz QAWSFDQNSJVTIB-RKDXNWHRSA-N 0 0 230.760 3.515 20 0 BHADRN CCC1(CNC(=O)c2ccoc2C(C)C)CCC1 ZINC000281495974 168476608 /nfs/dbraw/zinc/47/66/08/168476608.db2.gz OJCDHJIHXVSUGL-UHFFFAOYSA-N 0 0 249.354 3.713 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccoc1C1CC1 ZINC000281496202 171052539 /nfs/dbraw/zinc/05/25/39/171052539.db2.gz WLDRDVSWMZGFLF-CMPLNLGQSA-N 0 0 247.338 3.560 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)c1ccoc1C1CC1 ZINC000281496205 385676925 /nfs/dbraw/zinc/67/69/25/385676925.db2.gz WLDRDVSWMZGFLF-JQWIXIFHSA-N 0 0 247.338 3.560 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccoc1C1CC1 ZINC000281496209 385676277 /nfs/dbraw/zinc/67/62/77/385676277.db2.gz WLDRDVSWMZGFLF-PWSUYJOCSA-N 0 0 247.338 3.560 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccoc1C1CC1 ZINC000281496212 171036737 /nfs/dbraw/zinc/03/67/37/171036737.db2.gz WLDRDVSWMZGFLF-ZYHUDNBSSA-N 0 0 247.338 3.560 20 0 BHADRN CC(C)(C)CSCc1cnoc1C1CC1 ZINC000281524663 487712428 /nfs/dbraw/zinc/71/24/28/487712428.db2.gz VDCYUNSINMQAIA-UHFFFAOYSA-N 0 0 225.357 3.831 20 0 BHADRN Cc1nn(C(C)C)cc1CNc1cccc(C)c1 ZINC000281536312 179150463 /nfs/dbraw/zinc/15/04/63/179150463.db2.gz YXTQYMZPSSDASH-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN Cc1nn(C(C)C)cc1CNc1cccc(F)c1 ZINC000281542514 188206030 /nfs/dbraw/zinc/20/60/30/188206030.db2.gz ZKICXNGUQDMPKD-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN O=C(c1cccc(C2CCC2)c1)N1CCCCC1 ZINC000281542607 385679901 /nfs/dbraw/zinc/67/99/01/385679901.db2.gz NQKYNLPNJCTXIV-UHFFFAOYSA-N 0 0 243.350 3.580 20 0 BHADRN Cc1cscc1NC(=O)c1ccoc1C1CC1 ZINC000281548797 487712592 /nfs/dbraw/zinc/71/25/92/487712592.db2.gz NVQCCUHNNMVHMZ-UHFFFAOYSA-N 0 0 247.319 3.779 20 0 BHADRN CCCc1occc1C(=O)Nc1cscc1C ZINC000281548923 169610821 /nfs/dbraw/zinc/61/08/21/169610821.db2.gz NXYVQWQUILYZJY-UHFFFAOYSA-N 0 0 249.335 3.854 20 0 BHADRN CSc1ccccc1[C@H](C)NCC(F)(F)F ZINC000281632234 175584472 /nfs/dbraw/zinc/58/44/72/175584472.db2.gz IJUDUFYPARRATE-QMMMGPOBSA-N 0 0 249.301 3.621 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](C)c1ccccc1SC ZINC000281729903 188563796 /nfs/dbraw/zinc/56/37/96/188563796.db2.gz GBHBSWRAVFFUHH-IGLBNKAOSA-N 0 0 249.379 3.552 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1sc(C)nc1C ZINC000281751411 351908276 /nfs/dbraw/zinc/90/82/76/351908276.db2.gz BWZYJEDJZNYJQE-MRVPVSSYSA-N 0 0 240.372 3.525 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1sc(C)nc1C ZINC000281751413 168985263 /nfs/dbraw/zinc/98/52/63/168985263.db2.gz BWZYJEDJZNYJQE-QMMMGPOBSA-N 0 0 240.372 3.525 20 0 BHADRN CC(C)(C)c1noc(-c2ccoc2C2CC2)n1 ZINC000281788786 188384258 /nfs/dbraw/zinc/38/42/58/188384258.db2.gz HJTFBFZDFJKQFY-UHFFFAOYSA-N 0 0 232.283 3.505 20 0 BHADRN CSc1ccccc1[C@@H](C)NC(=O)C=C(C)C ZINC000281800702 385703290 /nfs/dbraw/zinc/70/32/90/385703290.db2.gz PXMKKVBMDXOBBW-LLVKDONJSA-N 0 0 249.379 3.552 20 0 BHADRN O=C(Nc1ccsc1)[C@@H]1CCCC(F)(F)C1 ZINC000281855079 182390056 /nfs/dbraw/zinc/39/00/56/182390056.db2.gz JSQHBMXPAMOSBB-MRVPVSSYSA-N 0 0 245.294 3.512 20 0 BHADRN O=C(Nc1ccsc1)[C@H]1CCCC(F)(F)C1 ZINC000281855081 182389778 /nfs/dbraw/zinc/38/97/78/182389778.db2.gz JSQHBMXPAMOSBB-QMMMGPOBSA-N 0 0 245.294 3.512 20 0 BHADRN CCCC(=O)N(CC)c1ccc(Cl)cc1F ZINC000281860298 385708725 /nfs/dbraw/zinc/70/87/25/385708725.db2.gz PEYBDTIVSIOPEY-UHFFFAOYSA-N 0 0 243.709 3.632 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccsc1 ZINC000281878829 351914111 /nfs/dbraw/zinc/91/41/11/351914111.db2.gz LHPMFNICRNIROX-SECBINFHSA-N 0 0 211.330 3.513 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccsc1 ZINC000281878833 351914210 /nfs/dbraw/zinc/91/42/10/351914210.db2.gz LHPMFNICRNIROX-VIFPVBQESA-N 0 0 211.330 3.513 20 0 BHADRN CCCc1occc1C(=O)Nc1ccsc1 ZINC000281887683 385712462 /nfs/dbraw/zinc/71/24/62/385712462.db2.gz NMNVSOPTBJHRAF-UHFFFAOYSA-N 0 0 235.308 3.546 20 0 BHADRN c1cc2c(ccnc2N2CC[C@H]3CCCC[C@H]32)o1 ZINC000281903166 183378718 /nfs/dbraw/zinc/37/87/18/183378718.db2.gz PJDABZOZOFKXGH-DGCLKSJQSA-N 0 0 242.322 3.597 20 0 BHADRN CCN(C(=O)c1cccc(C2CCC2)c1)C(C)C ZINC000281917436 385714766 /nfs/dbraw/zinc/71/47/66/385714766.db2.gz QDSMPHDNLIALTA-UHFFFAOYSA-N 0 0 245.366 3.825 20 0 BHADRN CC1(NC(=O)c2ccoc2C2CC2)CCCCC1 ZINC000281917649 168061124 /nfs/dbraw/zinc/06/11/24/168061124.db2.gz QFOQFKRTJKRJQG-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN Cc1ccc(N[C@H]2CCCC23CCOCC3)cc1 ZINC000281924524 385714623 /nfs/dbraw/zinc/71/46/23/385714623.db2.gz AQPVYJKADOYDQE-HNNXBMFYSA-N 0 0 245.366 3.756 20 0 BHADRN Cc1ccc(N[C@@H]2CCCC23CCOCC3)cc1 ZINC000281924529 385714418 /nfs/dbraw/zinc/71/44/18/385714418.db2.gz AQPVYJKADOYDQE-OAHLLOKOSA-N 0 0 245.366 3.756 20 0 BHADRN COCC[C@@H]1CCC[C@H]1Nc1ccc(C)cc1 ZINC000281937455 174398453 /nfs/dbraw/zinc/39/84/53/174398453.db2.gz BIFQKXFZJYSENQ-DZGCQCFKSA-N 0 0 233.355 3.612 20 0 BHADRN COCC[C@H]1CCC[C@@H]1Nc1ccc(C)cc1 ZINC000281937458 174418331 /nfs/dbraw/zinc/41/83/31/174418331.db2.gz BIFQKXFZJYSENQ-HIFRSBDPSA-N 0 0 233.355 3.612 20 0 BHADRN COCC[C@H]1CCC[C@H]1Nc1ccc(C)cc1 ZINC000281937460 385716064 /nfs/dbraw/zinc/71/60/64/385716064.db2.gz BIFQKXFZJYSENQ-UKRRQHHQSA-N 0 0 233.355 3.612 20 0 BHADRN COCC[C@@H]1CCC[C@@H]1Nc1ccc(C)cc1 ZINC000281937462 174397127 /nfs/dbraw/zinc/39/71/27/174397127.db2.gz BIFQKXFZJYSENQ-ZFWWWQNUSA-N 0 0 233.355 3.612 20 0 BHADRN FC1(F)CC[C@@H](CNc2ncccc2Cl)C1 ZINC000281941087 385458660 /nfs/dbraw/zinc/45/86/60/385458660.db2.gz IUYKKDVIRVLVRT-MRVPVSSYSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CC[C@H](CNc2ncccc2Cl)C1 ZINC000281941097 180918927 /nfs/dbraw/zinc/91/89/27/180918927.db2.gz IUYKKDVIRVLVRT-QMMMGPOBSA-N 0 0 246.688 3.582 20 0 BHADRN Cc1cc[nH]c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000281978165 178316673 /nfs/dbraw/zinc/31/66/73/178316673.db2.gz ZBFBVSMNXRJSIL-UHFFFAOYSA-N 0 0 242.322 3.699 20 0 BHADRN c1cc(-c2nc(C3CCCC3)no2)c(C2CC2)o1 ZINC000281982407 183330795 /nfs/dbraw/zinc/33/07/95/183330795.db2.gz VWKSGNPWPVYBPE-UHFFFAOYSA-N 0 0 244.294 3.865 20 0 BHADRN CSc1ccccc1[C@@H](C)NCC(F)(F)F ZINC000281994737 385470447 /nfs/dbraw/zinc/47/04/47/385470447.db2.gz IJUDUFYPARRATE-MRVPVSSYSA-N 0 0 249.301 3.621 20 0 BHADRN Cc1cc([C@H](C)N[C@H](C)c2ccccn2)oc1C ZINC000281995381 178258233 /nfs/dbraw/zinc/25/82/33/178258233.db2.gz CQTCPDBRUQGAJJ-NEPJUHHUSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1cc([C@@H](C)N[C@@H](C)c2ccccn2)oc1C ZINC000281995383 178230324 /nfs/dbraw/zinc/23/03/24/178230324.db2.gz CQTCPDBRUQGAJJ-NWDGAFQWSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1cc([C@H](C)N[C@@H](C)c2ccccn2)oc1C ZINC000281995386 178252889 /nfs/dbraw/zinc/25/28/89/178252889.db2.gz CQTCPDBRUQGAJJ-RYUDHWBXSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1cc([C@@H](C)N[C@H](C)c2ccccn2)oc1C ZINC000281995388 178232787 /nfs/dbraw/zinc/23/27/87/178232787.db2.gz CQTCPDBRUQGAJJ-VXGBXAGGSA-N 0 0 244.338 3.703 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(O)cc1CC ZINC000282003100 351919783 /nfs/dbraw/zinc/91/97/83/351919783.db2.gz HYDDUFQGJNGPRZ-LLVKDONJSA-N 0 0 249.354 3.719 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(O)cc1CC ZINC000282003103 168984704 /nfs/dbraw/zinc/98/47/04/168984704.db2.gz HYDDUFQGJNGPRZ-NSHDSACASA-N 0 0 249.354 3.719 20 0 BHADRN CCN(C(=O)c1ccoc1C1CC1)[C@H](C)C(C)C ZINC000282027245 385724409 /nfs/dbraw/zinc/72/44/09/385724409.db2.gz YXRAMOLMYGMLAY-LLVKDONJSA-N 0 0 249.354 3.664 20 0 BHADRN CCN(C(=O)c1ccoc1C1CC1)[C@@H](C)C(C)C ZINC000282027247 385723929 /nfs/dbraw/zinc/72/39/29/385723929.db2.gz YXRAMOLMYGMLAY-NSHDSACASA-N 0 0 249.354 3.664 20 0 BHADRN FC1(F)CC[C@@H](CNc2ccc(Cl)cn2)C1 ZINC000282083587 385500013 /nfs/dbraw/zinc/50/00/13/385500013.db2.gz WQTXWBDQXPYBSA-MRVPVSSYSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CC[C@H](CNc2ccc(Cl)cn2)C1 ZINC000282083589 180918835 /nfs/dbraw/zinc/91/88/35/180918835.db2.gz WQTXWBDQXPYBSA-QMMMGPOBSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CC[C@@H](CNc2ccnc(Cl)c2)C1 ZINC000282090130 180919226 /nfs/dbraw/zinc/91/92/26/180919226.db2.gz XBRKDPYPEINCGJ-MRVPVSSYSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CC[C@H](CNc2ccnc(Cl)c2)C1 ZINC000282090134 385502267 /nfs/dbraw/zinc/50/22/67/385502267.db2.gz XBRKDPYPEINCGJ-QMMMGPOBSA-N 0 0 246.688 3.582 20 0 BHADRN C[C@@H]1CCCN1C(=O)c1cccc(C2CCC2)c1 ZINC000282091539 176107658 /nfs/dbraw/zinc/10/76/58/176107658.db2.gz AXQMETLXQDKNQM-GFCCVEGCSA-N 0 0 243.350 3.579 20 0 BHADRN C[C@H]1CCCN1C(=O)c1cccc(C2CCC2)c1 ZINC000282091542 177108429 /nfs/dbraw/zinc/10/84/29/177108429.db2.gz AXQMETLXQDKNQM-LBPRGKRZSA-N 0 0 243.350 3.579 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](C)c1ccccc1SC ZINC000282115931 187517362 /nfs/dbraw/zinc/51/73/62/187517362.db2.gz GBHBSWRAVFFUHH-UAWPZABVSA-N 0 0 249.379 3.552 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000282171824 188032135 /nfs/dbraw/zinc/03/21/35/188032135.db2.gz VDTAHHPAHKZCPB-GXTWGEPZSA-N 0 0 248.370 3.505 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000282171826 385738024 /nfs/dbraw/zinc/73/80/24/385738024.db2.gz VDTAHHPAHKZCPB-JSGCOSHPSA-N 0 0 248.370 3.505 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000282171828 351925371 /nfs/dbraw/zinc/92/53/71/351925371.db2.gz VDTAHHPAHKZCPB-OCCSQVGLSA-N 0 0 248.370 3.505 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000282171831 351925086 /nfs/dbraw/zinc/92/50/86/351925086.db2.gz VDTAHHPAHKZCPB-TZMCWYRMSA-N 0 0 248.370 3.505 20 0 BHADRN CC(C)SCCSc1ccccc1O ZINC000282171975 167334803 /nfs/dbraw/zinc/33/48/03/167334803.db2.gz IFPHSVHSVIWYHH-UHFFFAOYSA-N 0 0 228.382 3.626 20 0 BHADRN CC(C)SCCSc1ccc(O)cc1 ZINC000282181987 167333770 /nfs/dbraw/zinc/33/37/70/167333770.db2.gz JOXRQLUQYFTLAH-UHFFFAOYSA-N 0 0 228.382 3.626 20 0 BHADRN Cc1cc([C@@H](C)NCc2ccccc2F)oc1C ZINC000282182063 178228260 /nfs/dbraw/zinc/22/82/60/178228260.db2.gz MUXZNKLHDQICFA-LLVKDONJSA-N 0 0 247.313 3.886 20 0 BHADRN Cc1cc([C@H](C)NCc2ccccc2F)oc1C ZINC000282182064 178251891 /nfs/dbraw/zinc/25/18/91/178251891.db2.gz MUXZNKLHDQICFA-NSHDSACASA-N 0 0 247.313 3.886 20 0 BHADRN Cc1noc(C)c1CSCCSC(C)C ZINC000282218564 385743571 /nfs/dbraw/zinc/74/35/71/385743571.db2.gz JYXYFRSURAFPDJ-UHFFFAOYSA-N 0 0 245.413 3.666 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccccc1COC ZINC000282228936 351927434 /nfs/dbraw/zinc/92/74/34/351927434.db2.gz RULBYIFOITUUIU-GFCCVEGCSA-N 0 0 249.354 3.598 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccccc1COC ZINC000282228944 351927131 /nfs/dbraw/zinc/92/71/31/351927131.db2.gz RULBYIFOITUUIU-LBPRGKRZSA-N 0 0 249.354 3.598 20 0 BHADRN CC(C)SCCSCc1ccco1 ZINC000282234134 167334311 /nfs/dbraw/zinc/33/43/11/167334311.db2.gz PJKBBURBSVBETL-UHFFFAOYSA-N 0 0 216.371 3.654 20 0 BHADRN Cc1cc(NCc2cocn2)cc(C)c1Cl ZINC000282236036 178177352 /nfs/dbraw/zinc/17/73/52/178177352.db2.gz FVOCVAWPHSOVHF-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1n[nH]cc1CNc1cc(C)c(Cl)c(C)c1 ZINC000282247194 178171276 /nfs/dbraw/zinc/17/12/76/178171276.db2.gz GKXAYMYFQYRPSE-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN FC1(F)CC[C@@H](CNc2cccc(Cl)n2)C1 ZINC000282262391 386400464 /nfs/dbraw/zinc/40/04/64/386400464.db2.gz NUGXBVGKLKDQFV-MRVPVSSYSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CC[C@H](CNc2cccc(Cl)n2)C1 ZINC000282262393 385548690 /nfs/dbraw/zinc/54/86/90/385548690.db2.gz NUGXBVGKLKDQFV-QMMMGPOBSA-N 0 0 246.688 3.582 20 0 BHADRN Cc1ccnc(Cl)c1OCCSC(C)C ZINC000282269712 385747902 /nfs/dbraw/zinc/74/79/02/385747902.db2.gz TVJTZYURDJJCAZ-UHFFFAOYSA-N 0 0 245.775 3.564 20 0 BHADRN CC(C)(F)c1nc([C@@H]2C[C@H]2c2ccccc2)no1 ZINC000282277285 188032930 /nfs/dbraw/zinc/03/29/30/188032930.db2.gz AZMXNWXFDSBDEG-WDEREUQCSA-N 0 0 246.285 3.545 20 0 BHADRN CSc1ccccc1[C@H](C)NC(=O)C=C(C)C ZINC000282279299 385747324 /nfs/dbraw/zinc/74/73/24/385747324.db2.gz PXMKKVBMDXOBBW-NSHDSACASA-N 0 0 249.379 3.552 20 0 BHADRN CC(C)(C)c1nc([C@@H]2C[C@H]2c2ccccc2)no1 ZINC000282279355 188032346 /nfs/dbraw/zinc/03/23/46/188032346.db2.gz BARPHPXUSLCMIM-NWDGAFQWSA-N 0 0 242.322 3.638 20 0 BHADRN CC(C)=Cc1nc([C@@H]2C[C@H]2c2ccccc2)no1 ZINC000282293498 188385105 /nfs/dbraw/zinc/38/51/05/188385105.db2.gz CFYLLDAXWQNZNY-QWHCGFSZSA-N 0 0 240.306 3.764 20 0 BHADRN CC(C)C(C)(C)CNC(=O)c1ccoc1C1CC1 ZINC000282301746 385750460 /nfs/dbraw/zinc/75/04/60/385750460.db2.gz RVGPTRRQGWGVFF-UHFFFAOYSA-N 0 0 249.354 3.569 20 0 BHADRN Cc1ccnc(NC2CCC(C(F)F)CC2)c1 ZINC000282303900 385749606 /nfs/dbraw/zinc/74/96/06/385749606.db2.gz MNZVSVXVHSMLTL-UHFFFAOYSA-N 0 0 240.297 3.626 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(C)c(O)c1C ZINC000282306094 351929609 /nfs/dbraw/zinc/92/96/09/351929609.db2.gz GOOUBPLHDJREBK-LLVKDONJSA-N 0 0 249.354 3.774 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(C)c(O)c1C ZINC000282306098 351929383 /nfs/dbraw/zinc/92/93/83/351929383.db2.gz GOOUBPLHDJREBK-NSHDSACASA-N 0 0 249.354 3.774 20 0 BHADRN CC(C)SCCSc1nccn1C(C)C ZINC000282318065 167334749 /nfs/dbraw/zinc/33/47/49/167334749.db2.gz ZCWJPUPYPAOZRD-UHFFFAOYSA-N 0 0 244.429 3.698 20 0 BHADRN Cc1ccc(NC2CCC(C(F)F)CC2)nc1 ZINC000282335370 385751634 /nfs/dbraw/zinc/75/16/34/385751634.db2.gz OLPMEXBALKBATO-UHFFFAOYSA-N 0 0 240.297 3.626 20 0 BHADRN CCCCc1nc([C@@H]2C[C@H]2c2ccccc2)no1 ZINC000282340550 169028163 /nfs/dbraw/zinc/02/81/63/169028163.db2.gz GMJASCGBBUCUOL-QWHCGFSZSA-N 0 0 242.322 3.683 20 0 BHADRN Cc1cncc(NC2CCC(C(F)F)CC2)c1 ZINC000282344716 491111413 /nfs/dbraw/zinc/11/14/13/491111413.db2.gz OXTDKJZDECWBNR-UHFFFAOYSA-N 0 0 240.297 3.626 20 0 BHADRN Cc1ncccc1NC1CCC(C(F)F)CC1 ZINC000282397610 180225609 /nfs/dbraw/zinc/22/56/09/180225609.db2.gz RMBSHTDXNQKSSI-UHFFFAOYSA-N 0 0 240.297 3.626 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccccc1C ZINC000282400379 351931701 /nfs/dbraw/zinc/93/17/01/351931701.db2.gz CTWQZZNSFGVPTK-GFCCVEGCSA-N 0 0 219.328 3.760 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccccc1C ZINC000282400383 351931688 /nfs/dbraw/zinc/93/16/88/351931688.db2.gz CTWQZZNSFGVPTK-LBPRGKRZSA-N 0 0 219.328 3.760 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000282445135 168941675 /nfs/dbraw/zinc/94/16/75/168941675.db2.gz GDWRCZTYMIHENQ-LLVKDONJSA-N 0 0 247.338 3.654 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000282445139 168985232 /nfs/dbraw/zinc/98/52/32/168985232.db2.gz GDWRCZTYMIHENQ-NSHDSACASA-N 0 0 247.338 3.654 20 0 BHADRN COCc1cccc(N[C@H]2CCC23CCC3)c1 ZINC000282446299 385763526 /nfs/dbraw/zinc/76/35/26/385763526.db2.gz FCDOZMDYZSDGNO-AWEZNQCLSA-N 0 0 231.339 3.578 20 0 BHADRN COCc1cccc(N[C@@H]2CCC23CCC3)c1 ZINC000282446303 385764907 /nfs/dbraw/zinc/76/49/07/385764907.db2.gz FCDOZMDYZSDGNO-CQSZACIVSA-N 0 0 231.339 3.578 20 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ZINC000282464794 351933339 /nfs/dbraw/zinc/93/33/39/351933339.db2.gz HMHPYWJORPHLIU-MNOVXSKESA-N 0 0 239.384 3.752 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000282464798 351933497 /nfs/dbraw/zinc/93/34/97/351933497.db2.gz HMHPYWJORPHLIU-QWRGUYRKSA-N 0 0 239.384 3.752 20 0 BHADRN FC(F)C1CCC(Nc2ccccc2)CC1 ZINC000282473294 384293762 /nfs/dbraw/zinc/29/37/62/384293762.db2.gz WKYOXZVVWSMVEA-UHFFFAOYSA-N 0 0 225.282 3.922 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)c1ccoc1C1CC1 ZINC000282497869 385766994 /nfs/dbraw/zinc/76/69/94/385766994.db2.gz GDCPZZLZHWICGE-LLVKDONJSA-N 0 0 249.354 3.665 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)c1ccoc1C1CC1 ZINC000282497883 171278521 /nfs/dbraw/zinc/27/85/21/171278521.db2.gz GDCPZZLZHWICGE-NSHDSACASA-N 0 0 249.354 3.665 20 0 BHADRN C/C=C(\C)c1nc([C@@H]2C[C@H]2c2ccccc2)no1 ZINC000282498448 385765983 /nfs/dbraw/zinc/76/59/83/385765983.db2.gz RSIUPNZWCGCEAP-QTJFCWQESA-N 0 0 240.306 3.764 20 0 BHADRN Cc1ccc(NC2CCC(C(F)F)CC2)cn1 ZINC000282500426 385767415 /nfs/dbraw/zinc/76/74/15/385767415.db2.gz YBFCYHJFRYGVQT-UHFFFAOYSA-N 0 0 240.297 3.626 20 0 BHADRN CC[C@@H](C)c1nc([C@@H]2C[C@H]2c2ccccc2)no1 ZINC000282519968 385768170 /nfs/dbraw/zinc/76/81/70/385768170.db2.gz UKUNBTONNXSQQL-KGYLQXTDSA-N 0 0 242.322 3.854 20 0 BHADRN CC[C@H](C)c1nc([C@@H]2C[C@H]2c2ccccc2)no1 ZINC000282519972 171414364 /nfs/dbraw/zinc/41/43/64/171414364.db2.gz UKUNBTONNXSQQL-WCFLWFBJSA-N 0 0 242.322 3.854 20 0 BHADRN CCC(CC)(CC)NC(=O)c1ccoc1C1CC1 ZINC000282534451 168317642 /nfs/dbraw/zinc/31/76/42/168317642.db2.gz IOJXMYDXRNXBKJ-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN CN(C(=O)c1cccc(C2CCC2)c1)C1CCC1 ZINC000282556526 172341500 /nfs/dbraw/zinc/34/15/00/172341500.db2.gz JXRRFLBMGKSOJI-UHFFFAOYSA-N 0 0 243.350 3.579 20 0 BHADRN c1ccc([C@@H]2C[C@H]2c2noc(C3CCC3)n2)cc1 ZINC000282584200 385772875 /nfs/dbraw/zinc/77/28/75/385772875.db2.gz ZVMZRYGKFVJZTP-QWHCGFSZSA-N 0 0 240.306 3.608 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc(COC)c1 ZINC000282633314 168942245 /nfs/dbraw/zinc/94/22/45/168942245.db2.gz SLHFGVBQPSBKSZ-GFCCVEGCSA-N 0 0 249.354 3.598 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc(COC)c1 ZINC000282633316 351937524 /nfs/dbraw/zinc/93/75/24/351937524.db2.gz SLHFGVBQPSBKSZ-LBPRGKRZSA-N 0 0 249.354 3.598 20 0 BHADRN Cc1cc([C@@H](C)Nc2cccc(C)c2C)nn1C ZINC000282666833 179156324 /nfs/dbraw/zinc/15/63/24/179156324.db2.gz IWFSBNJTFLCAKT-CYBMUJFWSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1cc([C@H](C)Nc2cccc(C)c2C)nn1C ZINC000282666837 179153923 /nfs/dbraw/zinc/15/39/23/179153923.db2.gz IWFSBNJTFLCAKT-ZDUSSCGKSA-N 0 0 243.354 3.518 20 0 BHADRN CC(C)(C)SCCn1cnc2ccccc21 ZINC000282676396 166690412 /nfs/dbraw/zinc/69/04/12/166690412.db2.gz POJXUSNUKPIXGK-UHFFFAOYSA-N 0 0 234.368 3.568 20 0 BHADRN Cc1cccc(N[C@H]2CCCC23CCOCC3)c1 ZINC000282692153 179157250 /nfs/dbraw/zinc/15/72/50/179157250.db2.gz KIJCLFBFSFDEBB-HNNXBMFYSA-N 0 0 245.366 3.756 20 0 BHADRN Cc1cccc(N[C@@H]2CCCC23CCOCC3)c1 ZINC000282692155 179155235 /nfs/dbraw/zinc/15/52/35/179155235.db2.gz KIJCLFBFSFDEBB-OAHLLOKOSA-N 0 0 245.366 3.756 20 0 BHADRN CCCC[C@@H](C)C(=O)N(C)Cc1cccs1 ZINC000282696755 351940221 /nfs/dbraw/zinc/94/02/21/351940221.db2.gz XNYIDJQVZNHXMB-LLVKDONJSA-N 0 0 239.384 3.533 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)Cc1cccs1 ZINC000282696756 168979352 /nfs/dbraw/zinc/97/93/52/168979352.db2.gz XNYIDJQVZNHXMB-NSHDSACASA-N 0 0 239.384 3.533 20 0 BHADRN Cc1cc([C@H](C)Nc2ccc(Cl)cc2)nn1C ZINC000282697125 178259165 /nfs/dbraw/zinc/25/91/65/178259165.db2.gz KRCXQVVOFCJKFL-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc([C@@H](C)Nc2ccc(Cl)cc2)nn1C ZINC000282697134 178234297 /nfs/dbraw/zinc/23/42/97/178234297.db2.gz KRCXQVVOFCJKFL-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccccc1F ZINC000282702700 351940811 /nfs/dbraw/zinc/94/08/11/351940811.db2.gz XUZRWUQFLFOHRL-JTQLQIEISA-N 0 0 223.291 3.591 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccccc1F ZINC000282702703 168941585 /nfs/dbraw/zinc/94/15/85/168941585.db2.gz XUZRWUQFLFOHRL-SNVBAGLBSA-N 0 0 223.291 3.591 20 0 BHADRN CC(C)(C)SCCOc1cccnc1Cl ZINC000282714916 166690328 /nfs/dbraw/zinc/69/03/28/166690328.db2.gz VGCKZOXLGHYJRK-UHFFFAOYSA-N 0 0 245.775 3.646 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000282716875 351941719 /nfs/dbraw/zinc/94/17/19/351941719.db2.gz YSQZDPSJMQJKCG-SECBINFHSA-N 0 0 241.281 3.730 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000282716877 351941390 /nfs/dbraw/zinc/94/13/90/351941390.db2.gz YSQZDPSJMQJKCG-VIFPVBQESA-N 0 0 241.281 3.730 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000282717140 168941988 /nfs/dbraw/zinc/94/19/88/168941988.db2.gz YWGKXLOGBCQWKX-LLVKDONJSA-N 0 0 247.338 3.654 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000282717142 351941319 /nfs/dbraw/zinc/94/13/19/351941319.db2.gz YWGKXLOGBCQWKX-NSHDSACASA-N 0 0 247.338 3.654 20 0 BHADRN Cc1coc(SCCSC(C)(C)C)n1 ZINC000282723505 385782814 /nfs/dbraw/zinc/78/28/14/385782814.db2.gz WLPUYOXPPSKCGQ-UHFFFAOYSA-N 0 0 231.386 3.607 20 0 BHADRN COC(C)(C)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC000282739014 173930395 /nfs/dbraw/zinc/93/03/95/173930395.db2.gz YUOMFMBMVCKPKS-UHFFFAOYSA-N 0 0 246.306 3.657 20 0 BHADRN Cc1cc([C@H](C)Nc2cccc(Cl)c2)nn1C ZINC000282746380 178259598 /nfs/dbraw/zinc/25/95/98/178259598.db2.gz NMBYHFRXOLKHQG-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc([C@@H](C)Nc2cccc(Cl)c2)nn1C ZINC000282746384 178234066 /nfs/dbraw/zinc/23/40/66/178234066.db2.gz NMBYHFRXOLKHQG-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccoc1C1CC1 ZINC000282764016 385785788 /nfs/dbraw/zinc/78/57/88/385785788.db2.gz WZTLHMVISBQLCI-GHMZBOCLSA-N 0 0 249.354 3.712 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)c1ccoc1C1CC1 ZINC000282764019 385784489 /nfs/dbraw/zinc/78/44/89/385784489.db2.gz WZTLHMVISBQLCI-MNOVXSKESA-N 0 0 249.354 3.712 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)c1ccoc1C1CC1 ZINC000282764022 171298312 /nfs/dbraw/zinc/29/83/12/171298312.db2.gz WZTLHMVISBQLCI-QWRGUYRKSA-N 0 0 249.354 3.712 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)c1ccoc1C1CC1 ZINC000282764024 171295273 /nfs/dbraw/zinc/29/52/73/171295273.db2.gz WZTLHMVISBQLCI-WDEREUQCSA-N 0 0 249.354 3.712 20 0 BHADRN Cc1cc([C@@H](C)N[C@H](C)c2ccc(C)cc2)no1 ZINC000282829208 385789660 /nfs/dbraw/zinc/78/96/60/385789660.db2.gz SELAFKZGWRUUIX-CHWSQXEVSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1cc([C@H](C)N[C@H](C)c2ccc(C)cc2)no1 ZINC000282829220 385790776 /nfs/dbraw/zinc/79/07/76/385790776.db2.gz SELAFKZGWRUUIX-OLZOCXBDSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(C)cc2)no1 ZINC000282829233 385789166 /nfs/dbraw/zinc/78/91/66/385789166.db2.gz SELAFKZGWRUUIX-QWHCGFSZSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1cc([C@H](C)N[C@@H](C)c2ccc(C)cc2)no1 ZINC000282829248 385788755 /nfs/dbraw/zinc/78/87/55/385788755.db2.gz SELAFKZGWRUUIX-STQMWFEESA-N 0 0 244.338 3.703 20 0 BHADRN COCC[C@@H]1CCC[C@H]1Nc1cccc(C)c1 ZINC000282831627 174398132 /nfs/dbraw/zinc/39/81/32/174398132.db2.gz SGDXPKMXNGNFQG-DZGCQCFKSA-N 0 0 233.355 3.612 20 0 BHADRN COCC[C@H]1CCC[C@@H]1Nc1cccc(C)c1 ZINC000282831638 385788925 /nfs/dbraw/zinc/78/89/25/385788925.db2.gz SGDXPKMXNGNFQG-HIFRSBDPSA-N 0 0 233.355 3.612 20 0 BHADRN COCC[C@H]1CCC[C@H]1Nc1cccc(C)c1 ZINC000282831649 385789279 /nfs/dbraw/zinc/78/92/79/385789279.db2.gz SGDXPKMXNGNFQG-UKRRQHHQSA-N 0 0 233.355 3.612 20 0 BHADRN COCC[C@@H]1CCC[C@@H]1Nc1cccc(C)c1 ZINC000282831659 174397687 /nfs/dbraw/zinc/39/76/87/174397687.db2.gz SGDXPKMXNGNFQG-ZFWWWQNUSA-N 0 0 233.355 3.612 20 0 BHADRN CO[C@H](CSCC1CC1)c1ccccc1 ZINC000282875310 385791510 /nfs/dbraw/zinc/79/15/10/385791510.db2.gz AMAHTXLWKBABGS-CYBMUJFWSA-N 0 0 222.353 3.517 20 0 BHADRN CO[C@@H](CSCC1CC1)c1ccccc1 ZINC000282875313 385792357 /nfs/dbraw/zinc/79/23/57/385792357.db2.gz AMAHTXLWKBABGS-ZDUSSCGKSA-N 0 0 222.353 3.517 20 0 BHADRN CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000282889380 188033422 /nfs/dbraw/zinc/03/34/22/188033422.db2.gz WEBPYBXSHXUFFC-YPMHNXCESA-N 0 0 236.359 3.769 20 0 BHADRN Fc1ccc(N[C@H]2CCCC23CCOCC3)cc1 ZINC000282904253 385794880 /nfs/dbraw/zinc/79/48/80/385794880.db2.gz WWXPEAKJPBQBMX-AWEZNQCLSA-N 0 0 249.329 3.587 20 0 BHADRN Fc1ccc(N[C@@H]2CCCC23CCOCC3)cc1 ZINC000282904255 385794404 /nfs/dbraw/zinc/79/44/04/385794404.db2.gz WWXPEAKJPBQBMX-CQSZACIVSA-N 0 0 249.329 3.587 20 0 BHADRN COCC[C@H]1CCC[C@@H]1Nc1cscc1C ZINC000282904279 386775676 /nfs/dbraw/zinc/77/56/76/386775676.db2.gz WXGCOJVGCJWCQJ-NEPJUHHUSA-N 0 0 239.384 3.674 20 0 BHADRN COCC[C@@H]1CCC[C@H]1Nc1cscc1C ZINC000282904281 174398725 /nfs/dbraw/zinc/39/87/25/174398725.db2.gz WXGCOJVGCJWCQJ-NWDGAFQWSA-N 0 0 239.384 3.674 20 0 BHADRN COCC[C@@H]1CCC[C@@H]1Nc1cscc1C ZINC000282904283 174397702 /nfs/dbraw/zinc/39/77/02/174397702.db2.gz WXGCOJVGCJWCQJ-RYUDHWBXSA-N 0 0 239.384 3.674 20 0 BHADRN COCC[C@H]1CCC[C@H]1Nc1cscc1C ZINC000282904284 174419715 /nfs/dbraw/zinc/41/97/15/174419715.db2.gz WXGCOJVGCJWCQJ-VXGBXAGGSA-N 0 0 239.384 3.674 20 0 BHADRN Cc1ccoc1C(=O)N(C)[C@H](C)C1CCCCC1 ZINC000283039966 187691376 /nfs/dbraw/zinc/69/13/76/187691376.db2.gz BABVVMCWQAJJND-GFCCVEGCSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1ccoc1C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000283039967 188033213 /nfs/dbraw/zinc/03/32/13/188033213.db2.gz BABVVMCWQAJJND-LBPRGKRZSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1cc(C(=O)N(C)[C@H](C)C2CCCCC2)co1 ZINC000283067129 385808039 /nfs/dbraw/zinc/80/80/39/385808039.db2.gz CVFIUQWCFJFMJT-GFCCVEGCSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1cc(C(=O)N(C)[C@@H](C)C2CCCCC2)co1 ZINC000283067131 385807131 /nfs/dbraw/zinc/80/71/31/385807131.db2.gz CVFIUQWCFJFMJT-LBPRGKRZSA-N 0 0 249.354 3.629 20 0 BHADRN c1nnc(S[C@@H]2C=CCCCCC2)s1 ZINC000283070970 188033315 /nfs/dbraw/zinc/03/33/15/188033315.db2.gz PIOMWNBUOGWHEP-SECBINFHSA-N 0 0 226.370 3.519 20 0 BHADRN c1nnc(S[C@H]2C=CCCCCC2)s1 ZINC000283070975 385808678 /nfs/dbraw/zinc/80/86/78/385808678.db2.gz PIOMWNBUOGWHEP-VIFPVBQESA-N 0 0 226.370 3.519 20 0 BHADRN Clc1ccsc1CSC1CCOCC1 ZINC000283109504 180597499 /nfs/dbraw/zinc/59/74/99/180597499.db2.gz RUANQMQQXREZCZ-UHFFFAOYSA-N 0 0 248.800 3.814 20 0 BHADRN CCCCN(CC)C(=O)c1occc1C(C)C ZINC000283303043 385815829 /nfs/dbraw/zinc/81/58/29/385815829.db2.gz AQPJMUQAELWPDA-UHFFFAOYSA-N 0 0 237.343 3.665 20 0 BHADRN CO[C@H](CSC(C)C)c1ccccc1 ZINC000283316740 385815676 /nfs/dbraw/zinc/81/56/76/385815676.db2.gz IMLOMOLEBFNNDP-GFCCVEGCSA-N 0 0 210.342 3.516 20 0 BHADRN CO[C@@H](CSC(C)C)c1ccccc1 ZINC000283316742 385816858 /nfs/dbraw/zinc/81/68/58/385816858.db2.gz IMLOMOLEBFNNDP-LBPRGKRZSA-N 0 0 210.342 3.516 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)c1c(C)coc1C ZINC000283320666 170969946 /nfs/dbraw/zinc/96/99/46/170969946.db2.gz DZRQQQWPCDVVIU-CHWSQXEVSA-N 0 0 249.354 3.595 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1c(C)coc1C ZINC000283320667 170967163 /nfs/dbraw/zinc/96/71/63/170967163.db2.gz DZRQQQWPCDVVIU-OLZOCXBDSA-N 0 0 249.354 3.595 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)c1c(C)coc1C ZINC000283320668 385816256 /nfs/dbraw/zinc/81/62/56/385816256.db2.gz DZRQQQWPCDVVIU-QWHCGFSZSA-N 0 0 249.354 3.595 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)c1c(C)coc1C ZINC000283320669 385816231 /nfs/dbraw/zinc/81/62/31/385816231.db2.gz DZRQQQWPCDVVIU-STQMWFEESA-N 0 0 249.354 3.595 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1c(C)cccc1F ZINC000283431389 351970039 /nfs/dbraw/zinc/97/00/39/351970039.db2.gz HGZLFUQORAWLJY-LLVKDONJSA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1c(C)cccc1F ZINC000283431392 168984628 /nfs/dbraw/zinc/98/46/28/168984628.db2.gz HGZLFUQORAWLJY-NSHDSACASA-N 0 0 237.318 3.899 20 0 BHADRN Cc1cc([C@@H](C)N[C@H](C)c2ccccc2C)no1 ZINC000283451383 178232192 /nfs/dbraw/zinc/23/21/92/178232192.db2.gz IMNDDSHOCKCFNK-CHWSQXEVSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1cc([C@H](C)N[C@H](C)c2ccccc2C)no1 ZINC000283451385 178257367 /nfs/dbraw/zinc/25/73/67/178257367.db2.gz IMNDDSHOCKCFNK-OLZOCXBDSA-N 0 0 244.338 3.703 20 0 BHADRN CCCSC[C@@H](OC)c1ccccc1 ZINC000283474731 169339703 /nfs/dbraw/zinc/33/97/03/169339703.db2.gz SQMOQVFZIKKVTL-GFCCVEGCSA-N 0 0 210.342 3.517 20 0 BHADRN CCCSC[C@H](OC)c1ccccc1 ZINC000283474735 169339276 /nfs/dbraw/zinc/33/92/76/169339276.db2.gz SQMOQVFZIKKVTL-LBPRGKRZSA-N 0 0 210.342 3.517 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cscc1C ZINC000283519159 351975501 /nfs/dbraw/zinc/97/55/01/351975501.db2.gz NARHTSOXIPEDDY-SECBINFHSA-N 0 0 225.357 3.821 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cscc1C ZINC000283519162 351975657 /nfs/dbraw/zinc/97/56/57/351975657.db2.gz NARHTSOXIPEDDY-VIFPVBQESA-N 0 0 225.357 3.821 20 0 BHADRN CC[C@@H](N[C@@H](C)c1cc(C)on1)c1ccccc1 ZINC000283537728 398075915 /nfs/dbraw/zinc/07/59/15/398075915.db2.gz ODSKISXZSDYIMK-GXTWGEPZSA-N 0 0 244.338 3.785 20 0 BHADRN CC[C@H](N[C@@H](C)c1cc(C)on1)c1ccccc1 ZINC000283537731 398075720 /nfs/dbraw/zinc/07/57/20/398075720.db2.gz ODSKISXZSDYIMK-JSGCOSHPSA-N 0 0 244.338 3.785 20 0 BHADRN CC[C@H](N[C@H](C)c1cc(C)on1)c1ccccc1 ZINC000283537734 398075785 /nfs/dbraw/zinc/07/57/85/398075785.db2.gz ODSKISXZSDYIMK-OCCSQVGLSA-N 0 0 244.338 3.785 20 0 BHADRN CC[C@@H](N[C@H](C)c1cc(C)on1)c1ccccc1 ZINC000283537737 170912511 /nfs/dbraw/zinc/91/25/11/170912511.db2.gz ODSKISXZSDYIMK-TZMCWYRMSA-N 0 0 244.338 3.785 20 0 BHADRN Fc1ccc(N2CCC[C@H]2c2ccccc2)nc1 ZINC000283634149 385827647 /nfs/dbraw/zinc/82/76/47/385827647.db2.gz UGGCULIALXYFKT-AWEZNQCLSA-N 0 0 242.297 3.562 20 0 BHADRN Fc1ccc(N2CCC[C@@H]2c2ccccc2)nc1 ZINC000283634155 385826887 /nfs/dbraw/zinc/82/68/87/385826887.db2.gz UGGCULIALXYFKT-CQSZACIVSA-N 0 0 242.297 3.562 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@H](C)C2CCCCC2)o1 ZINC000283673867 178381344 /nfs/dbraw/zinc/38/13/44/178381344.db2.gz RSLZXAUNLSZOCI-GFCCVEGCSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@@H](C)C2CCCCC2)o1 ZINC000283673869 178380311 /nfs/dbraw/zinc/38/03/11/178380311.db2.gz RSLZXAUNLSZOCI-LBPRGKRZSA-N 0 0 249.354 3.629 20 0 BHADRN CCCCCc1nc(C(F)F)cs1 ZINC000283726226 168749293 /nfs/dbraw/zinc/74/92/93/168749293.db2.gz BUPYLCCVOLZGQP-UHFFFAOYSA-N 0 0 205.273 3.813 20 0 BHADRN CC(C)CCc1nc(C(F)F)cs1 ZINC000283737295 351026712 /nfs/dbraw/zinc/02/67/12/351026712.db2.gz CXZKFUFKBFSBKG-UHFFFAOYSA-N 0 0 205.273 3.669 20 0 BHADRN OCCCCS[C@H]1CCCc2ccccc21 ZINC000283758918 385832453 /nfs/dbraw/zinc/83/24/53/385832453.db2.gz AIIHVVZWRYKBQQ-AWEZNQCLSA-N 0 0 236.380 3.570 20 0 BHADRN OCCCCS[C@@H]1CCCc2ccccc21 ZINC000283758919 187343914 /nfs/dbraw/zinc/34/39/14/187343914.db2.gz AIIHVVZWRYKBQQ-CQSZACIVSA-N 0 0 236.380 3.570 20 0 BHADRN CC(C)(C)CCSc1ccc(Cl)nn1 ZINC000283763274 385832790 /nfs/dbraw/zinc/83/27/90/385832790.db2.gz AVTNUKUIKCINLR-UHFFFAOYSA-N 0 0 230.764 3.658 20 0 BHADRN CC(C)CCNc1nc(C(F)F)cs1 ZINC000283763803 166870232 /nfs/dbraw/zinc/87/02/32/166870232.db2.gz IELLCJQSHPZXEU-UHFFFAOYSA-N 0 0 220.288 3.539 20 0 BHADRN Cc1noc(C)c1CSCCCCCF ZINC000283764261 385831490 /nfs/dbraw/zinc/83/14/90/385831490.db2.gz BIAKPKDHGIHXGL-UHFFFAOYSA-N 0 0 231.336 3.664 20 0 BHADRN CC(C)n1ccnc1SCCCCCF ZINC000283765521 167775068 /nfs/dbraw/zinc/77/50/68/167775068.db2.gz BFMKEPHLFVJDFR-UHFFFAOYSA-N 0 0 230.352 3.696 20 0 BHADRN FC(F)c1csc(CCc2ccccc2)n1 ZINC000283771751 385832473 /nfs/dbraw/zinc/83/24/73/385832473.db2.gz JLNQVQQBCDWIIR-UHFFFAOYSA-N 0 0 239.290 3.866 20 0 BHADRN FC(F)c1csc(NC2CCCCC2)n1 ZINC000283784047 385783721 /nfs/dbraw/zinc/78/37/21/385783721.db2.gz LKDOPZCUUQEKQN-UHFFFAOYSA-N 0 0 232.299 3.825 20 0 BHADRN CS[C@H](C)c1nc2ccccc2n1C(F)F ZINC000283791674 385833857 /nfs/dbraw/zinc/83/38/57/385833857.db2.gz FWSSNYISZNNBEV-SSDOTTSWSA-N 0 0 242.294 3.855 20 0 BHADRN CS[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000283791676 175546057 /nfs/dbraw/zinc/54/60/57/175546057.db2.gz FWSSNYISZNNBEV-ZETCQYMHSA-N 0 0 242.294 3.855 20 0 BHADRN CCC[C@@H](CC)SCc1cn2cccnc2n1 ZINC000283795750 169381450 /nfs/dbraw/zinc/38/14/50/169381450.db2.gz GGGBUZWOYUDZPG-GFCCVEGCSA-N 0 0 249.383 3.541 20 0 BHADRN CCC[C@H](CC)SCc1cn2cccnc2n1 ZINC000283795754 385833700 /nfs/dbraw/zinc/83/37/00/385833700.db2.gz GGGBUZWOYUDZPG-LBPRGKRZSA-N 0 0 249.383 3.541 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000283811091 179301831 /nfs/dbraw/zinc/30/18/31/179301831.db2.gz ILVVVDSDNWCSPW-DGCLKSJQSA-N 0 0 229.323 3.536 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000283812988 179042811 /nfs/dbraw/zinc/04/28/11/179042811.db2.gz IRVQHDYYBGFYPE-BXUZGUMPSA-N 0 0 243.350 3.844 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)c1occc1C(C)C ZINC000283813118 398076592 /nfs/dbraw/zinc/07/65/92/398076592.db2.gz IXDZBVJXQACTPX-GFCCVEGCSA-N 0 0 249.354 3.808 20 0 BHADRN CC[C@H]1CCCCN1C(=O)c1occc1C(C)C ZINC000283813120 171606251 /nfs/dbraw/zinc/60/62/51/171606251.db2.gz IXDZBVJXQACTPX-LBPRGKRZSA-N 0 0 249.354 3.808 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000283814162 178088780 /nfs/dbraw/zinc/08/87/80/178088780.db2.gz IZRCNHDSHKKZRE-ZWNOBZJWSA-N 0 0 247.313 3.675 20 0 BHADRN CC(C)c1ccoc1C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000283818264 385834612 /nfs/dbraw/zinc/83/46/12/385834612.db2.gz DXKJEMJOYVCESI-NEPJUHHUSA-N 0 0 249.354 3.664 20 0 BHADRN CC(C)c1ccoc1C(=O)N1CCC[C@H](C)[C@H]1C ZINC000283818265 188033216 /nfs/dbraw/zinc/03/32/16/188033216.db2.gz DXKJEMJOYVCESI-NWDGAFQWSA-N 0 0 249.354 3.664 20 0 BHADRN CC(C)c1ccoc1C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000283818266 188206936 /nfs/dbraw/zinc/20/69/36/188206936.db2.gz DXKJEMJOYVCESI-RYUDHWBXSA-N 0 0 249.354 3.664 20 0 BHADRN CC(C)c1ccoc1C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000283818267 385834627 /nfs/dbraw/zinc/83/46/27/385834627.db2.gz DXKJEMJOYVCESI-VXGBXAGGSA-N 0 0 249.354 3.664 20 0 BHADRN Cc1cscc1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000283820960 385834633 /nfs/dbraw/zinc/83/46/33/385834633.db2.gz DLNLQALRDCAXOO-MWLCHTKSSA-N 0 0 235.352 3.597 20 0 BHADRN CC(C)c1nc(-c2ccncc2Cl)cs1 ZINC000283822875 188385210 /nfs/dbraw/zinc/38/52/10/188385210.db2.gz FPNBTEDXOPARLT-UHFFFAOYSA-N 0 0 238.743 3.982 20 0 BHADRN Oc1cccc(SCCCCCF)c1 ZINC000283830384 188096179 /nfs/dbraw/zinc/09/61/79/188096179.db2.gz GQEBWZCHRSDMJV-UHFFFAOYSA-N 0 0 214.305 3.624 20 0 BHADRN CC(C)c1ccoc1C(=O)NCC1(C)CCCC1 ZINC000283832275 385835367 /nfs/dbraw/zinc/83/53/67/385835367.db2.gz FYFAWLAOVUWDFQ-UHFFFAOYSA-N 0 0 249.354 3.713 20 0 BHADRN Cc1coc(C)c1C(=O)N(C(C)C)C1CCCC1 ZINC000283840182 188564591 /nfs/dbraw/zinc/56/45/91/188564591.db2.gz 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BHADRN CC(=O)c1ccc(OCCCCCF)c(F)c1 ZINC000284596440 385877253 /nfs/dbraw/zinc/87/72/53/385877253.db2.gz YGENQSUIBIZPBT-UHFFFAOYSA-N 0 0 242.265 3.547 20 0 BHADRN CCCCC[C@@H](C)NC(=O)c1c(C)coc1C ZINC000284601204 385877403 /nfs/dbraw/zinc/87/74/03/385877403.db2.gz UGWBVZULQFUUMZ-LLVKDONJSA-N 0 0 237.343 3.595 20 0 BHADRN CCCCC[C@H](C)NC(=O)c1c(C)coc1C ZINC000284601210 385877609 /nfs/dbraw/zinc/87/76/09/385877609.db2.gz UGWBVZULQFUUMZ-NSHDSACASA-N 0 0 237.343 3.595 20 0 BHADRN CCC(C)(C)CNC(=O)c1occc1C(C)C ZINC000284612956 168282395 /nfs/dbraw/zinc/28/23/95/168282395.db2.gz IMRYIBKGMIYANV-UHFFFAOYSA-N 0 0 237.343 3.569 20 0 BHADRN Cc1coc(C)c1C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000284631490 385880736 /nfs/dbraw/zinc/88/07/36/385880736.db2.gz WJDAABAGZGTXIB-GWCFXTLKSA-N 0 0 249.354 3.547 20 0 BHADRN Cc1coc(C)c1C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000284631491 385879289 /nfs/dbraw/zinc/87/92/89/385879289.db2.gz WJDAABAGZGTXIB-GXFFZTMASA-N 0 0 249.354 3.547 20 0 BHADRN 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ZINC000284712488 168477800 /nfs/dbraw/zinc/47/78/00/168477800.db2.gz FFMYDCRLGLZXHQ-UHFFFAOYSA-N 0 0 249.354 3.713 20 0 BHADRN Cc1coc(C)c1C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000284738460 385885377 /nfs/dbraw/zinc/88/53/77/385885377.db2.gz QIBXNDZJQAKRTK-GFCCVEGCSA-N 0 0 249.354 3.595 20 0 BHADRN Cc1coc(C)c1C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000284738467 385885411 /nfs/dbraw/zinc/88/54/11/385885411.db2.gz QIBXNDZJQAKRTK-LBPRGKRZSA-N 0 0 249.354 3.595 20 0 BHADRN CCCC(C)(C)NC(=O)c1occc1C(C)C ZINC000284779266 385885279 /nfs/dbraw/zinc/88/52/79/385885279.db2.gz WQGIKOMNBSAQJT-UHFFFAOYSA-N 0 0 237.343 3.712 20 0 BHADRN Cc1cccnc1CSCCCCCF ZINC000284867967 179385769 /nfs/dbraw/zinc/38/57/69/179385769.db2.gz ITLKUSXYZSCLIV-UHFFFAOYSA-N 0 0 227.348 3.763 20 0 BHADRN CCc1ccc(N[C@H](C)c2cc(C)on2)cc1 ZINC000284872485 385889081 /nfs/dbraw/zinc/88/90/81/385889081.db2.gz AYZZKPIXLWQZCQ-LLVKDONJSA-N 0 0 230.311 3.719 20 0 BHADRN CCc1ccc(N[C@@H](C)c2cc(C)on2)cc1 ZINC000284872489 385889398 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CC[C@@H](C)CCC(=O)Nc1ccccc1F ZINC000284926481 385890553 /nfs/dbraw/zinc/89/05/53/385890553.db2.gz CCWWHFBARVHAAV-SNVBAGLBSA-N 0 0 223.291 3.591 20 0 BHADRN COCCCCSCc1ccc(F)c(F)c1 ZINC000284930391 174206975 /nfs/dbraw/zinc/20/69/75/174206975.db2.gz BHVIPVUZHFSILW-UHFFFAOYSA-N 0 0 246.322 3.625 20 0 BHADRN CCc1noc(C)c1CSCCCCF ZINC000284949560 172081377 /nfs/dbraw/zinc/08/13/77/172081377.db2.gz CMLYZSHEVZBVKK-UHFFFAOYSA-N 0 0 231.336 3.528 20 0 BHADRN CCOC1CC(COc2cccc(Cl)c2)C1 ZINC000284955003 170325788 /nfs/dbraw/zinc/32/57/88/170325788.db2.gz ANBSQFVMXHHTDY-UHFFFAOYSA-N 0 0 240.730 3.534 20 0 BHADRN CC(C)(C)CCc1noc(/C=C/c2ccc[nH]2)n1 ZINC000284968698 385891055 /nfs/dbraw/zinc/89/10/55/385891055.db2.gz AXRQENBNYYGXGN-VOTSOKGWSA-N 0 0 245.326 3.547 20 0 BHADRN CCc1nc(CSCCCCF)cs1 ZINC000284968769 171992064 /nfs/dbraw/zinc/99/20/64/171992064.db2.gz DVNPPYCRPWEZQK-UHFFFAOYSA-N 0 0 233.377 3.688 20 0 BHADRN COCCCCSCc1cc(F)cc(F)c1 ZINC000284979404 174207146 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BHADRN CCCCN(C)C(=O)c1cc(C(C)C)oc1C ZINC000285673444 385954460 /nfs/dbraw/zinc/95/44/60/385954460.db2.gz ZJXGGCCRMRDNSI-UHFFFAOYSA-N 0 0 237.343 3.584 20 0 BHADRN CCCCCCNC(=O)c1sccc1Cl ZINC000285676296 385954174 /nfs/dbraw/zinc/95/41/74/385954174.db2.gz ZNOCVSQOAJLRPJ-UHFFFAOYSA-N 0 0 245.775 3.712 20 0 BHADRN CC(C)c1ccoc1C(=O)NCCC1=CCCC1 ZINC000285688476 385955626 /nfs/dbraw/zinc/95/56/26/385955626.db2.gz QMTTTZMPNAREJD-UHFFFAOYSA-N 0 0 247.338 3.633 20 0 BHADRN CC[C@@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000285709799 171007123 /nfs/dbraw/zinc/00/71/23/171007123.db2.gz PIUMUUNSOPWPMH-GFCCVEGCSA-N 0 0 249.354 3.584 20 0 BHADRN CC[C@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000285709803 171629683 /nfs/dbraw/zinc/62/96/83/171629683.db2.gz PIUMUUNSOPWPMH-LBPRGKRZSA-N 0 0 249.354 3.584 20 0 BHADRN CCc1ccc(N[C@H](C)c2ncc[nH]2)cc1Cl ZINC000285709960 538941919 /nfs/dbraw/zinc/94/19/19/538941919.db2.gz PKSRBSBAOAAYDN-SECBINFHSA-N 0 0 249.745 3.799 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ncc[nH]2)cc1Cl ZINC000285709962 538941809 /nfs/dbraw/zinc/94/18/09/538941809.db2.gz PKSRBSBAOAAYDN-VIFPVBQESA-N 0 0 249.745 3.799 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H](C)c2cc(C)ccn2)o1 ZINC000285734964 385961427 /nfs/dbraw/zinc/96/14/27/385961427.db2.gz QVQBILSULBVTJF-CHWSQXEVSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1ccc([C@H](C)N[C@H](C)c2cc(C)ccn2)o1 ZINC000285734971 385962166 /nfs/dbraw/zinc/96/21/66/385962166.db2.gz QVQBILSULBVTJF-OLZOCXBDSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H](C)c2cc(C)ccn2)o1 ZINC000285734979 385961184 /nfs/dbraw/zinc/96/11/84/385961184.db2.gz QVQBILSULBVTJF-QWHCGFSZSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H](C)c2cc(C)ccn2)o1 ZINC000285734986 385962021 /nfs/dbraw/zinc/96/20/21/385962021.db2.gz QVQBILSULBVTJF-STQMWFEESA-N 0 0 244.338 3.703 20 0 BHADRN CC(C)c1[nH]ccc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000285735608 385960823 /nfs/dbraw/zinc/96/08/23/385960823.db2.gz VMXWCRXMBLZGFE-RYUDHWBXSA-N 0 0 248.370 3.541 20 0 BHADRN CC(C)c1[nH]ccc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000285735612 385960811 /nfs/dbraw/zinc/96/08/11/385960811.db2.gz VMXWCRXMBLZGFE-TXEJJXNPSA-N 0 0 248.370 3.541 20 0 BHADRN CC(C)c1[nH]ccc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000285735615 385961485 /nfs/dbraw/zinc/96/14/85/385961485.db2.gz VMXWCRXMBLZGFE-VXGBXAGGSA-N 0 0 248.370 3.541 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N(C)CCC1CC1 ZINC000285745468 385960865 /nfs/dbraw/zinc/96/08/65/385960865.db2.gz LFPUNSXTVLUVAZ-UHFFFAOYSA-N 0 0 249.354 3.584 20 0 BHADRN CC(C)C[C@@H](C)NC(=O)c1sccc1Cl ZINC000285788593 188208719 /nfs/dbraw/zinc/20/87/19/188208719.db2.gz OUMHNFZZEOMEAS-MRVPVSSYSA-N 0 0 245.775 3.566 20 0 BHADRN CC(C)C[C@H](C)NC(=O)c1sccc1Cl ZINC000285788596 187345379 /nfs/dbraw/zinc/34/53/79/187345379.db2.gz OUMHNFZZEOMEAS-QMMMGPOBSA-N 0 0 245.775 3.566 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CC=C(C)CC1 ZINC000285799837 168108099 /nfs/dbraw/zinc/10/80/99/168108099.db2.gz PSBJNRTUAFMMIA-UHFFFAOYSA-N 0 0 247.338 3.504 20 0 BHADRN CC[C@H](C)CCC(=O)Nc1c(C)cccc1F ZINC000285818098 171268498 /nfs/dbraw/zinc/26/84/98/171268498.db2.gz NILHKRVXCWKZLI-JTQLQIEISA-N 0 0 237.318 3.899 20 0 BHADRN CC[C@@H](C)CCC(=O)Nc1c(C)cccc1F ZINC000285818101 385970006 /nfs/dbraw/zinc/97/00/06/385970006.db2.gz NILHKRVXCWKZLI-SNVBAGLBSA-N 0 0 237.318 3.899 20 0 BHADRN Cc1cscc1NC(=O)c1cc[nH]c1C(C)C ZINC000285860276 385970997 /nfs/dbraw/zinc/97/09/97/385970997.db2.gz VADMGEBANXWVBQ-UHFFFAOYSA-N 0 0 248.351 3.760 20 0 BHADRN Cc1cccc(N[C@H](C)c2cc(C)ccn2)c1 ZINC000285897874 179156773 /nfs/dbraw/zinc/15/67/73/179156773.db2.gz BFHMHKRXORHTIH-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1cccc(N[C@@H](C)c2cc(C)ccn2)c1 ZINC000285897876 179153601 /nfs/dbraw/zinc/15/36/01/179153601.db2.gz BFHMHKRXORHTIH-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)c1cc[nH]c1C(C)C ZINC000285900467 385975435 /nfs/dbraw/zinc/97/54/35/385975435.db2.gz UYCGNIUELGICTG-NEPJUHHUSA-N 0 0 248.370 3.541 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc[nH]c1C(C)C ZINC000285900474 171052313 /nfs/dbraw/zinc/05/23/13/171052313.db2.gz UYCGNIUELGICTG-NWDGAFQWSA-N 0 0 248.370 3.541 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)c1cc[nH]c1C(C)C ZINC000285900481 385975683 /nfs/dbraw/zinc/97/56/83/385975683.db2.gz UYCGNIUELGICTG-RYUDHWBXSA-N 0 0 248.370 3.541 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc[nH]c1C(C)C ZINC000285900487 187857101 /nfs/dbraw/zinc/85/71/01/187857101.db2.gz UYCGNIUELGICTG-VXGBXAGGSA-N 0 0 248.370 3.541 20 0 BHADRN CSc1cccc(N[C@@H](C)c2ncc[nH]2)c1C ZINC000285913302 538942649 /nfs/dbraw/zinc/94/26/49/538942649.db2.gz BZSWGLKTXUOTIO-JTQLQIEISA-N 0 0 247.367 3.613 20 0 BHADRN CSc1cccc(N[C@H](C)c2ncc[nH]2)c1C ZINC000285913309 538942748 /nfs/dbraw/zinc/94/27/48/538942748.db2.gz BZSWGLKTXUOTIO-SNVBAGLBSA-N 0 0 247.367 3.613 20 0 BHADRN CC1=C(C)CN(C(=O)c2occc2C(C)C)CC1 ZINC000285927692 168082533 /nfs/dbraw/zinc/08/25/33/168082533.db2.gz LGFRQEBXIGQARZ-UHFFFAOYSA-N 0 0 247.338 3.585 20 0 BHADRN Cc1cccc(N[C@H](C)c2ncc[nH]2)c1Cl ZINC000285936681 538942255 /nfs/dbraw/zinc/94/22/55/538942255.db2.gz DEIYEKUZWMRSPX-SECBINFHSA-N 0 0 235.718 3.545 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ncc[nH]2)c1Cl ZINC000285936689 538942520 /nfs/dbraw/zinc/94/25/20/538942520.db2.gz DEIYEKUZWMRSPX-VIFPVBQESA-N 0 0 235.718 3.545 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)c1ncc[nH]1 ZINC000285938789 537807522 /nfs/dbraw/zinc/80/75/22/537807522.db2.gz DHLCQHMGVQEUEI-SECBINFHSA-N 0 0 235.718 3.545 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)c1ncc[nH]1 ZINC000285938791 537807234 /nfs/dbraw/zinc/80/72/34/537807234.db2.gz DHLCQHMGVQEUEI-VIFPVBQESA-N 0 0 235.718 3.545 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CCC(C)(C)C1 ZINC000285939444 385981800 /nfs/dbraw/zinc/98/18/00/385981800.db2.gz FQDSRDVYPVBHAU-UHFFFAOYSA-N 0 0 249.354 3.584 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2ncc[nH]2)cc1 ZINC000285942190 538942599 /nfs/dbraw/zinc/94/25/99/538942599.db2.gz DLAZNDGZFUXUCZ-LLVKDONJSA-N 0 0 229.327 3.706 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2ncc[nH]2)cc1 ZINC000285942195 538942566 /nfs/dbraw/zinc/94/25/66/538942566.db2.gz DLAZNDGZFUXUCZ-NSHDSACASA-N 0 0 229.327 3.706 20 0 BHADRN Cc1ccc(N[C@H](C)c2ncc[nH]2)c(Cl)c1 ZINC000285954870 538942317 /nfs/dbraw/zinc/94/23/17/538942317.db2.gz FEFRBZPCNSKTCT-SECBINFHSA-N 0 0 235.718 3.545 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ncc[nH]2)c(Cl)c1 ZINC000285954871 538942260 /nfs/dbraw/zinc/94/22/60/538942260.db2.gz FEFRBZPCNSKTCT-VIFPVBQESA-N 0 0 235.718 3.545 20 0 BHADRN CCSc1cccc(N[C@@H](C)c2ncc[nH]2)c1 ZINC000285970970 538942723 /nfs/dbraw/zinc/94/27/23/538942723.db2.gz GBNVWRFWCREMMQ-JTQLQIEISA-N 0 0 247.367 3.695 20 0 BHADRN CCSc1cccc(N[C@H](C)c2ncc[nH]2)c1 ZINC000285970974 537807139 /nfs/dbraw/zinc/80/71/39/537807139.db2.gz GBNVWRFWCREMMQ-SNVBAGLBSA-N 0 0 247.367 3.695 20 0 BHADRN C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1ncc[nH]1 ZINC000285977020 538942258 /nfs/dbraw/zinc/94/22/58/538942258.db2.gz GJFMMCOZSWJTAD-LLVKDONJSA-N 0 0 243.354 3.880 20 0 BHADRN C[C@H](Nc1ccc(C(C)(C)C)cc1)c1ncc[nH]1 ZINC000285977023 538942623 /nfs/dbraw/zinc/94/26/23/538942623.db2.gz GJFMMCOZSWJTAD-NSHDSACASA-N 0 0 243.354 3.880 20 0 BHADRN CCCC(C)(C)NC(=O)c1sccc1Cl ZINC000285996035 385986126 /nfs/dbraw/zinc/98/61/26/385986126.db2.gz NIQACXADEZCFKO-UHFFFAOYSA-N 0 0 245.775 3.710 20 0 BHADRN CCN(C)C(=O)c1coc2ccc(C(C)C)cc12 ZINC000286035630 385987881 /nfs/dbraw/zinc/98/78/81/385987881.db2.gz NVMXRWPPJBCEGB-UHFFFAOYSA-N 0 0 245.322 3.648 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)c1sccc1Cl ZINC000286059536 385991500 /nfs/dbraw/zinc/99/15/00/385991500.db2.gz RLGDHTGOJXPHIU-MRVPVSSYSA-N 0 0 245.775 3.520 20 0 BHADRN CC[C@H](C)CN(C)C(=O)c1sccc1Cl ZINC000286059540 171272480 /nfs/dbraw/zinc/27/24/80/171272480.db2.gz RLGDHTGOJXPHIU-QMMMGPOBSA-N 0 0 245.775 3.520 20 0 BHADRN COc1cccc(N[C@H](C)c2cc(C)ccn2)c1 ZINC000286073720 175280082 /nfs/dbraw/zinc/28/00/82/175280082.db2.gz LFVYNFYEIPMNES-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1cccc(N[C@@H](C)c2cc(C)ccn2)c1 ZINC000286073722 175280186 /nfs/dbraw/zinc/28/01/86/175280186.db2.gz LFVYNFYEIPMNES-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN CCCCc1ccc(N[C@H](C)c2ncc[nH]2)cc1 ZINC000286084890 538943003 /nfs/dbraw/zinc/94/30/03/538943003.db2.gz LRMQXUZEEZIDQU-GFCCVEGCSA-N 0 0 243.354 3.925 20 0 BHADRN CCCCc1ccc(N[C@@H](C)c2ncc[nH]2)cc1 ZINC000286084894 538942975 /nfs/dbraw/zinc/94/29/75/538942975.db2.gz LRMQXUZEEZIDQU-LBPRGKRZSA-N 0 0 243.354 3.925 20 0 BHADRN CC[C@@H](NCc1nccs1)c1cccc(C)c1 ZINC000286091230 359351340 /nfs/dbraw/zinc/35/13/40/359351340.db2.gz MSQDRWVSPBHGIC-CYBMUJFWSA-N 0 0 246.379 3.692 20 0 BHADRN CC[C@H](NCc1nccs1)c1cccc(C)c1 ZINC000286091235 387314924 /nfs/dbraw/zinc/31/49/24/387314924.db2.gz MSQDRWVSPBHGIC-ZDUSSCGKSA-N 0 0 246.379 3.692 20 0 BHADRN COc1ccc(N[C@H](C)c2cc(C)ccn2)cc1 ZINC000286105657 175154944 /nfs/dbraw/zinc/15/49/44/175154944.db2.gz MWJNKHPNJARSAB-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccc(N[C@@H](C)c2cc(C)ccn2)cc1 ZINC000286105660 175153581 /nfs/dbraw/zinc/15/35/81/175153581.db2.gz MWJNKHPNJARSAB-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)c1cc[nH]c1C(C)C ZINC000286119013 170962711 /nfs/dbraw/zinc/96/27/11/170962711.db2.gz MAXSYPUZTNXAOM-GFCCVEGCSA-N 0 0 248.370 3.543 20 0 BHADRN CC[C@H]1CCCCN1C(=O)c1cc[nH]c1C(C)C ZINC000286119017 385996344 /nfs/dbraw/zinc/99/63/44/385996344.db2.gz MAXSYPUZTNXAOM-LBPRGKRZSA-N 0 0 248.370 3.543 20 0 BHADRN Cc1ccc(N[C@H](C)c2ncc[nH]2)cc1Cl ZINC000286127061 538943412 /nfs/dbraw/zinc/94/34/12/538943412.db2.gz NWKQQQIPKXCDQM-SECBINFHSA-N 0 0 235.718 3.545 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ncc[nH]2)cc1Cl ZINC000286127062 538943459 /nfs/dbraw/zinc/94/34/59/538943459.db2.gz NWKQQQIPKXCDQM-VIFPVBQESA-N 0 0 235.718 3.545 20 0 BHADRN CC(C)=CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000286136611 711451782 /nfs/dbraw/zinc/45/17/82/711451782.db2.gz BTIYDCYSUFEWHF-DZGCQCFKSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)=CC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000286136620 711451661 /nfs/dbraw/zinc/45/16/61/711451661.db2.gz BTIYDCYSUFEWHF-HIFRSBDPSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)=CC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000286136627 711451830 /nfs/dbraw/zinc/45/18/30/711451830.db2.gz BTIYDCYSUFEWHF-UKRRQHHQSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)=CC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000286136632 711451671 /nfs/dbraw/zinc/45/16/71/711451671.db2.gz BTIYDCYSUFEWHF-ZFWWWQNUSA-N 0 0 243.350 3.562 20 0 BHADRN Fc1ccc(N2CCC[C@@H]2c2ccsc2)nc1 ZINC000286169818 386004074 /nfs/dbraw/zinc/00/40/74/386004074.db2.gz PJQLMYLNEVBDJG-GFCCVEGCSA-N 0 0 248.326 3.624 20 0 BHADRN Fc1ccc(N2CCC[C@H]2c2ccsc2)nc1 ZINC000286169826 386002442 /nfs/dbraw/zinc/00/24/42/386002442.db2.gz PJQLMYLNEVBDJG-LBPRGKRZSA-N 0 0 248.326 3.624 20 0 BHADRN Cc1ccccc1NC(=O)c1cc[nH]c1C(C)C ZINC000286171015 179303219 /nfs/dbraw/zinc/30/32/19/179303219.db2.gz OOSZYOBKYGIUKE-UHFFFAOYSA-N 0 0 242.322 3.699 20 0 BHADRN CSc1ccc(C)c(N[C@@H](C)c2ncc[nH]2)c1 ZINC000286179746 538943326 /nfs/dbraw/zinc/94/33/26/538943326.db2.gz QGQPXUYFUDJEEZ-JTQLQIEISA-N 0 0 247.367 3.613 20 0 BHADRN CSc1ccc(C)c(N[C@H](C)c2ncc[nH]2)c1 ZINC000286179751 538943112 /nfs/dbraw/zinc/94/31/12/538943112.db2.gz QGQPXUYFUDJEEZ-SNVBAGLBSA-N 0 0 247.367 3.613 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)c1ncc[nH]1 ZINC000286182115 538943427 /nfs/dbraw/zinc/94/34/27/538943427.db2.gz QKNKIWMJIFHDHO-SECBINFHSA-N 0 0 235.718 3.545 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)c1ncc[nH]1 ZINC000286182120 538943444 /nfs/dbraw/zinc/94/34/44/538943444.db2.gz QKNKIWMJIFHDHO-VIFPVBQESA-N 0 0 235.718 3.545 20 0 BHADRN CC[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc(C)c1 ZINC000286195816 352080058 /nfs/dbraw/zinc/08/00/58/352080058.db2.gz RMJCYPJWLAUCBT-MRXNPFEDSA-N 0 0 242.366 3.574 20 0 BHADRN Cc1cscc1N[C@H](C)c1cc(C)ccn1 ZINC000286202075 179466809 /nfs/dbraw/zinc/46/68/09/179466809.db2.gz RILVBQNLFLSWOL-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cscc1N[C@@H](C)c1cc(C)ccn1 ZINC000286202078 387312252 /nfs/dbraw/zinc/31/22/52/387312252.db2.gz RILVBQNLFLSWOL-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN CN(C(=O)CCCCC(C)(C)C)c1cccnc1 ZINC000286204197 172304187 /nfs/dbraw/zinc/30/41/87/172304187.db2.gz FXOLTQSYIYWBLB-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CC(C)c1cccc(N[C@H](C)c2ncc[nH]2)c1 ZINC000286273151 538110467 /nfs/dbraw/zinc/11/04/67/538110467.db2.gz VQMURYBNACTZSA-LLVKDONJSA-N 0 0 229.327 3.706 20 0 BHADRN CC(C)c1cccc(N[C@@H](C)c2ncc[nH]2)c1 ZINC000286273155 538944164 /nfs/dbraw/zinc/94/41/64/538944164.db2.gz VQMURYBNACTZSA-NSHDSACASA-N 0 0 229.327 3.706 20 0 BHADRN C/C=C(\C)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000286278249 643121664 /nfs/dbraw/zinc/12/16/64/643121664.db2.gz HVEAQQDQDSNFJH-LPJIXGNDSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(\C)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000286278252 643122890 /nfs/dbraw/zinc/12/28/90/643122890.db2.gz HVEAQQDQDSNFJH-PCXDYHTOSA-N 0 0 243.350 3.562 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CCCCCC1 ZINC000286298753 180529835 /nfs/dbraw/zinc/52/98/35/180529835.db2.gz VMBNHNIXXHQAJR-UHFFFAOYSA-N 0 0 249.354 3.728 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CCC[C@@H](C)C1 ZINC000286308223 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/nfs/dbraw/zinc/02/27/12/386022712.db2.gz WNYFAMMZXFWUQK-UHFFFAOYSA-N 0 0 243.306 3.964 20 0 BHADRN CCc1cccnc1N[C@H](C)c1cc(C)ccn1 ZINC000286325168 386025595 /nfs/dbraw/zinc/02/55/95/386025595.db2.gz YEMPWDUQBXYIIH-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1cccnc1N[C@@H](C)c1cc(C)ccn1 ZINC000286325171 386024977 /nfs/dbraw/zinc/02/49/77/386024977.db2.gz YEMPWDUQBXYIIH-LBPRGKRZSA-N 0 0 241.338 3.521 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CC[C@@H](C)[C@H]1C ZINC000286335646 386026997 /nfs/dbraw/zinc/02/69/97/386026997.db2.gz YPOVMLOIONQFCG-GHMZBOCLSA-N 0 0 249.354 3.582 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000286335649 386026310 /nfs/dbraw/zinc/02/63/10/386026310.db2.gz YPOVMLOIONQFCG-MNOVXSKESA-N 0 0 249.354 3.582 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CC[C@H](C)[C@@H]1C ZINC000286335652 386026228 /nfs/dbraw/zinc/02/62/28/386026228.db2.gz YPOVMLOIONQFCG-QWRGUYRKSA-N 0 0 249.354 3.582 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CC[C@H](C)[C@H]1C ZINC000286335656 386026754 /nfs/dbraw/zinc/02/67/54/386026754.db2.gz YPOVMLOIONQFCG-WDEREUQCSA-N 0 0 249.354 3.582 20 0 BHADRN CCc1noc(C)c1CSc1ncccc1C ZINC000286344594 172080623 /nfs/dbraw/zinc/08/06/23/172080623.db2.gz BHEMYDAKMCMYTN-UHFFFAOYSA-N 0 0 248.351 3.541 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)c2ncc[nH]2)c1 ZINC000286364433 538943994 /nfs/dbraw/zinc/94/39/94/538943994.db2.gz ZWZWQJYISTYOFP-SECBINFHSA-N 0 0 235.718 3.545 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)c2ncc[nH]2)c1 ZINC000286364435 538944086 /nfs/dbraw/zinc/94/40/86/538944086.db2.gz ZWZWQJYISTYOFP-VIFPVBQESA-N 0 0 235.718 3.545 20 0 BHADRN Cc1ccnc([C@@H](C)Nc2ccc(C)nc2C)c1 ZINC000286366272 386029051 /nfs/dbraw/zinc/02/90/51/386029051.db2.gz ZZWNDJMHTXMSPC-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccnc([C@H](C)Nc2ccc(C)nc2C)c1 ZINC000286366276 386028130 /nfs/dbraw/zinc/02/81/30/386028130.db2.gz ZZWNDJMHTXMSPC-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Fc1ccc(SCCOC2CCC2)cc1F ZINC000286373279 386033193 /nfs/dbraw/zinc/03/31/93/386033193.db2.gz AVIFFVNAPHFHAM-UHFFFAOYSA-N 0 0 244.306 3.626 20 0 BHADRN CCCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000286385274 538943648 /nfs/dbraw/zinc/94/36/48/538943648.db2.gz GCZQRGYLIULKQB-DZGCQCFKSA-N 0 0 245.366 3.786 20 0 BHADRN CCCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000286385276 538944134 /nfs/dbraw/zinc/94/41/34/538944134.db2.gz GCZQRGYLIULKQB-HIFRSBDPSA-N 0 0 245.366 3.786 20 0 BHADRN CCCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000286385278 538944025 /nfs/dbraw/zinc/94/40/25/538944025.db2.gz GCZQRGYLIULKQB-UKRRQHHQSA-N 0 0 245.366 3.786 20 0 BHADRN CCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000286385280 538943543 /nfs/dbraw/zinc/94/35/43/538943543.db2.gz GCZQRGYLIULKQB-ZFWWWQNUSA-N 0 0 245.366 3.786 20 0 BHADRN CCC(C)(C)CNC(=O)c1sccc1Cl ZINC000286396439 168282198 /nfs/dbraw/zinc/28/21/98/168282198.db2.gz DGLRKPMMBSHXJP-UHFFFAOYSA-N 0 0 245.775 3.568 20 0 BHADRN Cc1cccnc1SCC(=O)C1CCCCC1 ZINC000286407377 179395482 /nfs/dbraw/zinc/39/54/82/179395482.db2.gz FUOAWVYMGFCXNZ-UHFFFAOYSA-N 0 0 249.379 3.632 20 0 BHADRN CC[N@H+](CCCCF)[C@H](C)c1cccc(O)c1 ZINC000286423872 386037441 /nfs/dbraw/zinc/03/74/41/386037441.db2.gz MNAVOFJWYWMBGL-GFCCVEGCSA-N 0 0 239.334 3.525 20 0 BHADRN CC[N@H+](CCCCF)[C@@H](C)c1cccc(O)c1 ZINC000286423877 386037475 /nfs/dbraw/zinc/03/74/75/386037475.db2.gz MNAVOFJWYWMBGL-LBPRGKRZSA-N 0 0 239.334 3.525 20 0 BHADRN Cc1cccnc1SCc1ncc(C2CC2)o1 ZINC000286455306 179397143 /nfs/dbraw/zinc/39/71/43/179397143.db2.gz IXTRLDBDCPGKJK-UHFFFAOYSA-N 0 0 246.335 3.548 20 0 BHADRN CCc1cc(O)ccc1NC(=O)CC[C@H](C)CC ZINC000286474329 187345910 /nfs/dbraw/zinc/34/59/10/187345910.db2.gz LCTSRGFJDOQBMX-LLVKDONJSA-N 0 0 249.354 3.719 20 0 BHADRN CCc1cc(O)ccc1NC(=O)CC[C@@H](C)CC ZINC000286474332 386044226 /nfs/dbraw/zinc/04/42/26/386044226.db2.gz LCTSRGFJDOQBMX-NSHDSACASA-N 0 0 249.354 3.719 20 0 BHADRN CC[C@H](C)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000286478838 537810618 /nfs/dbraw/zinc/81/06/18/537810618.db2.gz WJTPAJFNIWFSEM-IPYPFGDCSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@H](C)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000286478841 537810589 /nfs/dbraw/zinc/81/05/89/537810589.db2.gz WJTPAJFNIWFSEM-KCQAQPDRSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@H](C)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000286478843 537810192 /nfs/dbraw/zinc/81/01/92/537810192.db2.gz WJTPAJFNIWFSEM-VNHYZAJKSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@H](C)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000286478847 537810275 /nfs/dbraw/zinc/81/02/75/537810275.db2.gz WJTPAJFNIWFSEM-YDHLFZDLSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000286481478 538944717 /nfs/dbraw/zinc/94/47/17/538944717.db2.gz WQJYTGGYYZLOMP-DZGCQCFKSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)CC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000286481480 538944630 /nfs/dbraw/zinc/94/46/30/538944630.db2.gz WQJYTGGYYZLOMP-HIFRSBDPSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)CC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000286481482 538944400 /nfs/dbraw/zinc/94/44/00/538944400.db2.gz WQJYTGGYYZLOMP-UKRRQHHQSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)CC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000286481485 538944730 /nfs/dbraw/zinc/94/47/30/538944730.db2.gz WQJYTGGYYZLOMP-ZFWWWQNUSA-N 0 0 245.366 3.642 20 0 BHADRN Cc1cccnc1SCc1cnoc1C1CC1 ZINC000286513489 179397976 /nfs/dbraw/zinc/39/79/76/179397976.db2.gz MVCMCRZESDMTIA-UHFFFAOYSA-N 0 0 246.335 3.548 20 0 BHADRN Cc1csc(SCC(=O)CC(C)(C)C)n1 ZINC000286569484 386051972 /nfs/dbraw/zinc/05/19/72/386051972.db2.gz MGPZYURHDNNGRP-UHFFFAOYSA-N 0 0 243.397 3.549 20 0 BHADRN Cc1nc(C)c([C@H](C)[N@H+](C)CCCCF)s1 ZINC000286577599 386056488 /nfs/dbraw/zinc/05/64/88/386056488.db2.gz WIMNRBZSWPLUBW-JTQLQIEISA-N 0 0 244.379 3.502 20 0 BHADRN Cc1nc(C)c([C@@H](C)[N@H+](C)CCCCF)s1 ZINC000286577608 386055081 /nfs/dbraw/zinc/05/50/81/386055081.db2.gz WIMNRBZSWPLUBW-SNVBAGLBSA-N 0 0 244.379 3.502 20 0 BHADRN c1ccc2c(c1)CC(SCCOC1CCC1)=N2 ZINC000286616668 187694550 /nfs/dbraw/zinc/69/45/50/187694550.db2.gz UPZOCVMCKJJZGE-UHFFFAOYSA-N 0 0 247.363 3.575 20 0 BHADRN CC[C@H](C)CCC(=O)Nc1ccc(C)c(O)c1C ZINC000286724310 171268573 /nfs/dbraw/zinc/26/85/73/171268573.db2.gz JICIPYPTESTSSA-JTQLQIEISA-N 0 0 249.354 3.774 20 0 BHADRN CC[C@@H](C)CCC(=O)Nc1ccc(C)c(O)c1C ZINC000286724320 386069741 /nfs/dbraw/zinc/06/97/41/386069741.db2.gz JICIPYPTESTSSA-SNVBAGLBSA-N 0 0 249.354 3.774 20 0 BHADRN CC(=O)N(CC(C)C)[C@H](C)c1ccccc1C ZINC000286739838 188386698 /nfs/dbraw/zinc/38/66/98/188386698.db2.gz HCUOWNZJRHAXEE-CYBMUJFWSA-N 0 0 233.355 3.561 20 0 BHADRN CC(=O)N(CC(C)C)[C@@H](C)c1ccccc1C ZINC000286739844 386069889 /nfs/dbraw/zinc/06/98/89/386069889.db2.gz HCUOWNZJRHAXEE-ZDUSSCGKSA-N 0 0 233.355 3.561 20 0 BHADRN Cc1ccc(C)c(NC(=O)N[C@@H]2CCC2(C)C)c1 ZINC000286834437 386077651 /nfs/dbraw/zinc/07/76/51/386077651.db2.gz DNDFHIPZLLAZIT-CYBMUJFWSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1ccc(C)c(NC(=O)N[C@H]2CCC2(C)C)c1 ZINC000286834439 178480414 /nfs/dbraw/zinc/48/04/14/178480414.db2.gz DNDFHIPZLLAZIT-ZDUSSCGKSA-N 0 0 246.354 3.614 20 0 BHADRN CC[C@@H](c1ccccc1)N(CC)C(=O)N(C)CC ZINC000286853585 352105994 /nfs/dbraw/zinc/10/59/94/352105994.db2.gz LDLBJAYJPQWQRA-AWEZNQCLSA-N 0 0 248.370 3.531 20 0 BHADRN CC[C@H](c1ccccc1)N(CC)C(=O)N(C)CC ZINC000286853587 386076688 /nfs/dbraw/zinc/07/66/88/386076688.db2.gz LDLBJAYJPQWQRA-CQSZACIVSA-N 0 0 248.370 3.531 20 0 BHADRN Cc1cccc(C)c1NC(=O)N[C@@H]1CCC1(C)C ZINC000286902219 179040436 /nfs/dbraw/zinc/04/04/36/179040436.db2.gz JRHMKFWLEYBOTK-GFCCVEGCSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1cccc(C)c1NC(=O)N[C@H]1CCC1(C)C ZINC000286902228 179041765 /nfs/dbraw/zinc/04/17/65/179041765.db2.gz JRHMKFWLEYBOTK-LBPRGKRZSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CCC=C(C)C1 ZINC000286938529 168096869 /nfs/dbraw/zinc/09/68/69/168096869.db2.gz DVRMXSLEYJXSIM-UHFFFAOYSA-N 0 0 247.338 3.504 20 0 BHADRN CC(C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000286943743 188386662 /nfs/dbraw/zinc/38/66/62/188386662.db2.gz MDTPTZVOVBBUAU-NSHDSACASA-N 0 0 209.358 3.539 20 0 BHADRN CC(C)=CC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286952612 386086689 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166510416 /nfs/dbraw/zinc/51/04/16/166510416.db2.gz CLSMZBJJDABCMS-UHFFFAOYSA-N 0 0 237.730 3.715 20 0 BHADRN Cc1ccc(F)cc1NC(=O)C(C)(C)C1CC1 ZINC000287994041 386158488 /nfs/dbraw/zinc/15/84/88/386158488.db2.gz AFNQIKPAUGLDRC-UHFFFAOYSA-N 0 0 235.302 3.509 20 0 BHADRN Cc1ccc(NC(=O)C(C)(C)C2CC2)c(C)c1 ZINC000287998619 386159384 /nfs/dbraw/zinc/15/93/84/386159384.db2.gz AQMAXLNAJXLNNJ-UHFFFAOYSA-N 0 0 231.339 3.678 20 0 BHADRN c1csc(SCOC2CCCC2)c1 ZINC000288024573 183521761 /nfs/dbraw/zinc/52/17/61/183521761.db2.gz ADNVHBHWNGNBCD-UHFFFAOYSA-N 0 0 214.355 3.757 20 0 BHADRN Fc1ccc(SCOC2CCC2)cc1F ZINC000288035340 386161852 /nfs/dbraw/zinc/16/18/52/386161852.db2.gz ASYXPXYHJOAOFB-UHFFFAOYSA-N 0 0 230.279 3.584 20 0 BHADRN Fc1ccc(SCOC2CCC2)c(F)c1 ZINC000288035633 386160976 /nfs/dbraw/zinc/16/09/76/386160976.db2.gz AUWQVEDRXRWCKK-UHFFFAOYSA-N 0 0 230.279 3.584 20 0 BHADRN FC(F)c1nccnc1NC1CCCCCC1 ZINC000288078993 387939107 /nfs/dbraw/zinc/93/91/07/387939107.db2.gz HPJGAERIYOFEMD-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/05/37/93/178053793.db2.gz OIRJISRLKPLPFY-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Fc1cc(C2CC2)ccc1CNCc1ccco1 ZINC000291750037 386577907 /nfs/dbraw/zinc/57/79/07/386577907.db2.gz QCBVCFRSVRRPKA-UHFFFAOYSA-N 0 0 245.297 3.586 20 0 BHADRN Cc1ccc(CNC(C)(C)c2ccccc2F)o1 ZINC000291753938 386578606 /nfs/dbraw/zinc/57/86/06/386578606.db2.gz QNYHNDCPMMFBBW-UHFFFAOYSA-N 0 0 247.313 3.752 20 0 BHADRN CCC1(C)CN(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000291756255 386579973 /nfs/dbraw/zinc/57/99/73/386579973.db2.gz CPYVSDQPBKEMID-UHFFFAOYSA-N 0 0 246.354 3.567 20 0 BHADRN CCC1(C)CN(C(=O)Nc2ccc(C)cc2C)C1 ZINC000291792120 168449647 /nfs/dbraw/zinc/44/96/47/168449647.db2.gz GMOPTMBVECURDK-UHFFFAOYSA-N 0 0 246.354 3.567 20 0 BHADRN Cc1ccoc1CNCc1sccc1Cl ZINC000291804174 385723772 /nfs/dbraw/zinc/72/37/72/385723772.db2.gz XOYOKIGDJTZLQF-UHFFFAOYSA-N 0 0 241.743 3.593 20 0 BHADRN CO[C@@H]1CCCc2c(C)c3ccsc3nc21 ZINC000291817579 384921747 /nfs/dbraw/zinc/92/17/47/384921747.db2.gz DNYYDXMCHKBQCU-LLVKDONJSA-N 0 0 233.336 3.629 20 0 BHADRN CO[C@H]1CCCc2c(C)c3ccsc3nc21 ZINC000291817582 384920853 /nfs/dbraw/zinc/92/08/53/384920853.db2.gz DNYYDXMCHKBQCU-NSHDSACASA-N 0 0 233.336 3.629 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(C)c1ccnc(C)c1 ZINC000291825240 352290570 /nfs/dbraw/zinc/29/05/70/352290570.db2.gz SJGSVGYRKUDBHY-CYBMUJFWSA-N 0 0 248.370 3.569 20 0 BHADRN CCCC[C@H](CC)C(=O)N(C)c1ccnc(C)c1 ZINC000291825244 168993794 /nfs/dbraw/zinc/99/37/94/168993794.db2.gz SJGSVGYRKUDBHY-ZDUSSCGKSA-N 0 0 248.370 3.569 20 0 BHADRN CCC1(C)CN(C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000291900069 386598464 /nfs/dbraw/zinc/59/84/64/386598464.db2.gz MXQVZXBRZCRXQC-UHFFFAOYSA-N 0 0 246.354 3.567 20 0 BHADRN O=C(Nc1cccc(C2CCC2)c1)N1CCCC1 ZINC000291902086 182368807 /nfs/dbraw/zinc/36/88/07/182368807.db2.gz NBDWUNKJUMXJRU-UHFFFAOYSA-N 0 0 244.338 3.582 20 0 BHADRN CC[C@@H]1CCN1C(=O)Nc1ccccc1C(C)C ZINC000291909398 171019708 /nfs/dbraw/zinc/01/97/08/171019708.db2.gz QLRVCBQGEVWYKA-GFCCVEGCSA-N 0 0 246.354 3.826 20 0 BHADRN CC[C@H]1CCN1C(=O)Nc1ccccc1C(C)C ZINC000291909399 386599471 /nfs/dbraw/zinc/59/94/71/386599471.db2.gz QLRVCBQGEVWYKA-LBPRGKRZSA-N 0 0 246.354 3.826 20 0 BHADRN FC1(F)CC(CNc2ccc3ccccc3n2)C1 ZINC000291937849 386011901 /nfs/dbraw/zinc/01/19/01/386011901.db2.gz SVYCVIMYMUMKJD-UHFFFAOYSA-N 0 0 248.276 3.692 20 0 BHADRN CCN(CC(C)(C)C)C(=O)Nc1ccccc1 ZINC000292011017 169731116 /nfs/dbraw/zinc/73/11/16/169731116.db2.gz VXNJFFOZLBEGQL-UHFFFAOYSA-N 0 0 234.343 3.587 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)c1cc[nH]c1C1CC1 ZINC000292017279 168943409 /nfs/dbraw/zinc/94/34/09/168943409.db2.gz OAGDEUTXALHTKE-LLVKDONJSA-N 0 0 248.370 3.543 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)c1cc[nH]c1C1CC1 ZINC000292017283 352298164 /nfs/dbraw/zinc/29/81/64/352298164.db2.gz OAGDEUTXALHTKE-NSHDSACASA-N 0 0 248.370 3.543 20 0 BHADRN CCN(CC)C(=O)Nc1cccc(C2CCC2)c1 ZINC000292047015 386614151 /nfs/dbraw/zinc/61/41/51/386614151.db2.gz MNJAFILGPUCLAH-UHFFFAOYSA-N 0 0 246.354 3.828 20 0 BHADRN CC(C)N(C)C(=O)Nc1cccc(C2CCC2)c1 ZINC000292051038 188212309 /nfs/dbraw/zinc/21/23/09/188212309.db2.gz MVBYAYJLGXWXIZ-UHFFFAOYSA-N 0 0 246.354 3.826 20 0 BHADRN CCN(CC(C)(C)C)C(=O)Nc1ccccc1C ZINC000292063121 169731284 /nfs/dbraw/zinc/73/12/84/169731284.db2.gz ZYJFDLLYQHDQGS-UHFFFAOYSA-N 0 0 248.370 3.895 20 0 BHADRN CN(C(=O)Nc1cccc(C2CCC2)c1)C1CC1 ZINC000292066547 172323718 /nfs/dbraw/zinc/32/37/18/172323718.db2.gz OJSZXDUKBJEJPW-UHFFFAOYSA-N 0 0 244.338 3.580 20 0 BHADRN Cc1cc(NCC2CC2)ccc1-c1ccncc1 ZINC000292072706 178157642 /nfs/dbraw/zinc/15/76/42/178157642.db2.gz LJDNNDKCOKFZNL-UHFFFAOYSA-N 0 0 238.334 3.879 20 0 BHADRN Cc1cccc(CSCc2cc(C)ncn2)c1 ZINC000292074150 188037040 /nfs/dbraw/zinc/03/70/40/188037040.db2.gz LPRAJWOVOPFTIS-UHFFFAOYSA-N 0 0 244.363 3.527 20 0 BHADRN CC(=O)c1ccsc1NCCCCCF ZINC000292092137 387291568 /nfs/dbraw/zinc/29/15/68/387291568.db2.gz NXELTQSBRTWKQD-UHFFFAOYSA-N 0 0 229.320 3.502 20 0 BHADRN Cc1cc(NC(C)C)ccc1-c1ccncc1 ZINC000292097261 178152502 /nfs/dbraw/zinc/15/25/02/178152502.db2.gz OPNFNNDSEOTZNC-UHFFFAOYSA-N 0 0 226.323 3.877 20 0 BHADRN Cc1cc(CNc2ccccc2C(C)C)ncn1 ZINC000292114308 178044399 /nfs/dbraw/zinc/04/43/99/178044399.db2.gz QQAKPJNSJFGVEB-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN Cc1c2ccsc2nc2c1[C@@H](C)N(C)C[C@H]2C ZINC000292114565 386620261 /nfs/dbraw/zinc/62/02/61/386620261.db2.gz QTYNRGQZVZCTGA-PSASIEDQSA-N 0 0 246.379 3.715 20 0 BHADRN Cc1c2ccsc2nc2c1[C@H](C)N(C)C[C@H]2C ZINC000292114569 386619898 /nfs/dbraw/zinc/61/98/98/386619898.db2.gz QTYNRGQZVZCTGA-SCZZXKLOSA-N 0 0 246.379 3.715 20 0 BHADRN Cc1c2ccsc2nc2c1[C@@H](C)N(C)C[C@@H]2C ZINC000292114573 386619023 /nfs/dbraw/zinc/61/90/23/386619023.db2.gz QTYNRGQZVZCTGA-WCBMZHEXSA-N 0 0 246.379 3.715 20 0 BHADRN Cc1c2ccsc2nc2c1[C@H](C)N(C)C[C@@H]2C ZINC000292114577 386621083 /nfs/dbraw/zinc/62/10/83/386621083.db2.gz QTYNRGQZVZCTGA-WPRPVWTQSA-N 0 0 246.379 3.715 20 0 BHADRN CC(C)N(Cc1ccon1)[C@H](C)c1ccccc1 ZINC000292118416 386619990 /nfs/dbraw/zinc/61/99/90/386619990.db2.gz HTZDJCUDGMUUQP-CYBMUJFWSA-N 0 0 244.338 3.646 20 0 BHADRN CC(C)N(Cc1ccon1)[C@@H](C)c1ccccc1 ZINC000292118418 188212339 /nfs/dbraw/zinc/21/23/39/188212339.db2.gz HTZDJCUDGMUUQP-ZDUSSCGKSA-N 0 0 244.338 3.646 20 0 BHADRN CCCN(C)C(=O)Nc1cccc(C2CCC2)c1 ZINC000292119992 169056982 /nfs/dbraw/zinc/05/69/82/169056982.db2.gz UKYNMRQJQSSKES-UHFFFAOYSA-N 0 0 246.354 3.828 20 0 BHADRN Cc1ccoc1CN(C)C(=O)CCC1CCCC1 ZINC000292172854 386627031 /nfs/dbraw/zinc/62/70/31/386627031.db2.gz KBMCPWKOQKEVHG-UHFFFAOYSA-N 0 0 249.354 3.517 20 0 BHADRN Cc1ccc(CSCc2cc(C)ncn2)cc1 ZINC000292174569 386626726 /nfs/dbraw/zinc/62/67/26/386626726.db2.gz XMVNSRXUUNGYND-UHFFFAOYSA-N 0 0 244.363 3.527 20 0 BHADRN CCC(CC)N(CC)C(=O)c1cc[nH]c1C1CC1 ZINC000292214006 168371088 /nfs/dbraw/zinc/37/10/88/168371088.db2.gz QFJXXOFOOKNNNJ-UHFFFAOYSA-N 0 0 248.370 3.543 20 0 BHADRN Cc1ccoc1CN(C)C(=O)C1CCCCCC1 ZINC000292269767 386640886 /nfs/dbraw/zinc/64/08/86/386640886.db2.gz QBFOGRIBLHDURU-UHFFFAOYSA-N 0 0 249.354 3.517 20 0 BHADRN CC(C)(C)c1cnc(SC2CCC2)o1 ZINC000292328064 188569439 /nfs/dbraw/zinc/56/94/39/188569439.db2.gz CIPHMQZJRUBPQX-UHFFFAOYSA-N 0 0 211.330 3.617 20 0 BHADRN COc1cc(C(C)=O)ccc1SC1CCC1 ZINC000292332655 386652402 /nfs/dbraw/zinc/65/24/02/386652402.db2.gz CRTDGCDTKNDFLR-UHFFFAOYSA-N 0 0 236.336 3.542 20 0 BHADRN CC(C)[C@H]1N(C(=O)Nc2ccccc2)CC1(C)C ZINC000292401329 386662928 /nfs/dbraw/zinc/66/29/28/386662928.db2.gz XFEGEVYKPOHEDJ-CYBMUJFWSA-N 0 0 246.354 3.585 20 0 BHADRN CC(C)[C@@H]1N(C(=O)Nc2ccccc2)CC1(C)C ZINC000292401333 187348823 /nfs/dbraw/zinc/34/88/23/187348823.db2.gz XFEGEVYKPOHEDJ-ZDUSSCGKSA-N 0 0 246.354 3.585 20 0 BHADRN Cc1ccoc1CN(C)C(=O)CC1(C)CCCC1 ZINC000292408251 386664536 /nfs/dbraw/zinc/66/45/36/386664536.db2.gz ZICVLIZMNQDJIS-UHFFFAOYSA-N 0 0 249.354 3.517 20 0 BHADRN Cc1ccoc1CN(C)C(=O)CC1CCCCC1 ZINC000292410026 179509993 /nfs/dbraw/zinc/50/99/93/179509993.db2.gz ZLAVZKYZVGGTLO-UHFFFAOYSA-N 0 0 249.354 3.517 20 0 BHADRN Cc1ccsc1C(=O)N(C1CCC1)C1CCC1 ZINC000292420203 386667265 /nfs/dbraw/zinc/66/72/65/386667265.db2.gz BYLWRCAYMUDSOC-UHFFFAOYSA-N 0 0 249.379 3.604 20 0 BHADRN c1ccc2c(c1)CC(SC1CCC1)=N2 ZINC000292449225 188391685 /nfs/dbraw/zinc/39/16/85/188391685.db2.gz NTHDRCCZSLJUSE-UHFFFAOYSA-N 0 0 203.310 3.558 20 0 BHADRN Cc1ccc(C(=O)N(C2CCC2)C2CCC2)s1 ZINC000292475515 178381542 /nfs/dbraw/zinc/38/15/42/178381542.db2.gz CVEDPNNIABJYOL-UHFFFAOYSA-N 0 0 249.379 3.604 20 0 BHADRN Cc1ccccc1C(=O)N(C1CCC1)C1CCC1 ZINC000292476821 179245897 /nfs/dbraw/zinc/24/58/97/179245897.db2.gz CZEYTJWDTHPMJV-UHFFFAOYSA-N 0 0 243.350 3.542 20 0 BHADRN CCC1(C(=O)N(C)Cc2occc2C)CCCC1 ZINC000292491141 386679755 /nfs/dbraw/zinc/67/97/55/386679755.db2.gz FNJKKYYFNKZQFJ-UHFFFAOYSA-N 0 0 249.354 3.517 20 0 BHADRN CCCCCCC(=O)N(C)Cc1occc1C ZINC000292501418 187697098 /nfs/dbraw/zinc/69/70/98/187697098.db2.gz GXIOJBAJGOXIRV-UHFFFAOYSA-N 0 0 237.343 3.517 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)Cc1occc1C ZINC000292535511 386686233 /nfs/dbraw/zinc/68/62/33/386686233.db2.gz KWBVQXYSCROIPB-FMIVXFBMSA-N 0 0 249.354 3.539 20 0 BHADRN Cc1cscc1C(=O)N(C1CCC1)C1CCC1 ZINC000292540658 188391523 /nfs/dbraw/zinc/39/15/23/188391523.db2.gz LKSTYPPZQHVKQE-UHFFFAOYSA-N 0 0 249.379 3.604 20 0 BHADRN C/C=C(\CC)C(=O)N(C)Cc1cccc(C)c1C ZINC000292541843 187524366 /nfs/dbraw/zinc/52/43/66/187524366.db2.gz VRJGMLYAGCYUOM-MKMNVTDBSA-N 0 0 245.366 3.618 20 0 BHADRN CSCSc1nc(C)c(C)n1CC(C)C ZINC000292555870 175510479 /nfs/dbraw/zinc/51/04/79/175510479.db2.gz CNJHFJYYBBRVCM-UHFFFAOYSA-N 0 0 244.429 3.569 20 0 BHADRN Cc1cccc(NC(=O)[C@H](C)C(C)(F)F)c1C ZINC000292590966 179140443 /nfs/dbraw/zinc/14/04/43/179140443.db2.gz FDLRZDIDQDDMML-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](C)C(C)(F)F)c1C ZINC000292590968 179137217 /nfs/dbraw/zinc/13/72/17/179137217.db2.gz FDLRZDIDQDDMML-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN COc1ccccc1[C@@H](C)SCSC ZINC000292592610 175345565 /nfs/dbraw/zinc/34/55/65/175345565.db2.gz GZIOFWCGBDXNEC-SECBINFHSA-N 0 0 228.382 3.810 20 0 BHADRN COc1ccccc1[C@H](C)SCSC ZINC000292592617 175352096 /nfs/dbraw/zinc/35/20/96/175352096.db2.gz GZIOFWCGBDXNEC-VIFPVBQESA-N 0 0 228.382 3.810 20 0 BHADRN Cc1occc1S[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000292601287 386696832 /nfs/dbraw/zinc/69/68/32/386696832.db2.gz HTDIWHBIKBFBJR-DOFRTFSJSA-N 0 0 226.341 3.636 20 0 BHADRN Cc1occc1S[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000292601291 386697668 /nfs/dbraw/zinc/69/76/68/386697668.db2.gz HTDIWHBIKBFBJR-JZYVYDRUSA-N 0 0 226.341 3.636 20 0 BHADRN Cc1nc(SCCSC(C)(C)C)[nH]c1C ZINC000292626289 180031023 /nfs/dbraw/zinc/03/10/23/180031023.db2.gz KCIKHKGBZRRWCV-UHFFFAOYSA-N 0 0 244.429 3.650 20 0 BHADRN Cc1nc(S[C@H](C)c2ccccc2)[nH]c1C ZINC000292628549 180033337 /nfs/dbraw/zinc/03/33/37/180033337.db2.gz KLUBUDXYFKYVLA-LLVKDONJSA-N 0 0 232.352 3.880 20 0 BHADRN Cc1nc(S[C@@H](C)c2ccccc2)[nH]c1C ZINC000292628552 180033769 /nfs/dbraw/zinc/03/37/69/180033769.db2.gz KLUBUDXYFKYVLA-NSHDSACASA-N 0 0 232.352 3.880 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174749859 /nfs/dbraw/zinc/74/98/59/174749859.db2.gz NNAGOMDDVQHMKY-OLZOCXBDSA-N 0 0 247.363 3.573 20 0 BHADRN CO[C@H]1CCC[C@H]1SC1=Nc2ccccc2C1 ZINC000292661821 386707346 /nfs/dbraw/zinc/70/73/46/386707346.db2.gz NNAGOMDDVQHMKY-QWHCGFSZSA-N 0 0 247.363 3.573 20 0 BHADRN CO[C@H]1CCC[C@@H]1SC1=Nc2ccccc2C1 ZINC000292661825 386707642 /nfs/dbraw/zinc/70/76/42/386707642.db2.gz NNAGOMDDVQHMKY-STQMWFEESA-N 0 0 247.363 3.573 20 0 BHADRN CC[C@H]1CCN1C(=O)Nc1cccc(C(C)C)c1 ZINC000292669594 386707789 /nfs/dbraw/zinc/70/77/89/386707789.db2.gz OTVJNNRLHYZFBG-AWEZNQCLSA-N 0 0 246.354 3.826 20 0 BHADRN CC[C@@H]1CCN1C(=O)Nc1cccc(C(C)C)c1 ZINC000292669599 171019692 /nfs/dbraw/zinc/01/96/92/171019692.db2.gz OTVJNNRLHYZFBG-CQSZACIVSA-N 0 0 246.354 3.826 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)C(C)(F)F)c(C)c1 ZINC000292679700 178746228 /nfs/dbraw/zinc/74/62/28/178746228.db2.gz MGCUXDLEXLLEKY-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)C(C)(F)F)c(C)c1 ZINC000292679701 178741077 /nfs/dbraw/zinc/74/10/77/178741077.db2.gz MGCUXDLEXLLEKY-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN CSCOc1c(Cl)cccc1Cl ZINC000292706092 175509808 /nfs/dbraw/zinc/50/98/08/175509808.db2.gz QXTKLKIRGUEWBO-UHFFFAOYSA-N 0 0 223.124 3.693 20 0 BHADRN C[C@@H]1C[C@@H](Sc2cccs2)C[C@H](C)O1 ZINC000292710335 177374481 /nfs/dbraw/zinc/37/44/81/177374481.db2.gz RGVPCDJXRSOHGV-ILWJIGKKSA-N 0 0 228.382 3.796 20 0 BHADRN C[C@@H]1C[C@H](Sc2cccs2)C[C@H](C)O1 ZINC000292710339 177338404 /nfs/dbraw/zinc/33/84/04/177338404.db2.gz RGVPCDJXRSOHGV-MYJAWHEDSA-N 0 0 228.382 3.796 20 0 BHADRN CC(C)N(Cc1cocn1)[C@H](C)c1ccccc1 ZINC000292715566 188037768 /nfs/dbraw/zinc/03/77/68/188037768.db2.gz DQYWWYZICUXCPZ-CYBMUJFWSA-N 0 0 244.338 3.646 20 0 BHADRN CC(C)N(Cc1cocn1)[C@@H](C)c1ccccc1 ZINC000292715568 352327774 /nfs/dbraw/zinc/32/77/74/352327774.db2.gz DQYWWYZICUXCPZ-ZDUSSCGKSA-N 0 0 244.338 3.646 20 0 BHADRN Cc1ccccc1NC(=O)CC(C)(C)C1CC1 ZINC000292726029 179297041 /nfs/dbraw/zinc/29/70/41/179297041.db2.gz 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Cc1ccc(C)c(NC(=O)[C@H](C)C(C)(F)F)c1 ZINC000292760640 386721904 /nfs/dbraw/zinc/72/19/04/386721904.db2.gz SGLMTVCWCMMKRP-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H](C)C(C)(F)F)c1 ZINC000292760642 386722003 /nfs/dbraw/zinc/72/20/03/386722003.db2.gz SGLMTVCWCMMKRP-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN COC1(CCSc2cccs2)CCC1 ZINC000292768209 173991737 /nfs/dbraw/zinc/99/17/37/173991737.db2.gz XGVLCXGBRSJBDJ-UHFFFAOYSA-N 0 0 228.382 3.799 20 0 BHADRN COC1(CCSc2nc(C)cs2)CCC1 ZINC000292772149 386723648 /nfs/dbraw/zinc/72/36/48/386723648.db2.gz XNVQKFXHDWOAEL-UHFFFAOYSA-N 0 0 243.397 3.503 20 0 BHADRN Cc1nc(SCOCCC(C)(C)C)[nH]c1C ZINC000292772202 180030601 /nfs/dbraw/zinc/03/06/01/180030601.db2.gz XPUIKNRITWHROZ-UHFFFAOYSA-N 0 0 242.388 3.529 20 0 BHADRN Cc1cnccc1SCCCCCF ZINC000292772879 386725717 /nfs/dbraw/zinc/72/57/17/386725717.db2.gz MATBJCFVTIFBHE-UHFFFAOYSA-N 0 0 213.321 3.622 20 0 BHADRN C[C@H](C(=O)Nc1ccccc1Cl)C(C)(F)F ZINC000292779622 386725451 /nfs/dbraw/zinc/72/54/51/386725451.db2.gz UPITWRSTUPPHFT-SSDOTTSWSA-N 0 0 247.672 3.570 20 0 BHADRN C[C@@H](C(=O)Nc1ccccc1Cl)C(C)(F)F ZINC000292779626 175621378 /nfs/dbraw/zinc/62/13/78/175621378.db2.gz UPITWRSTUPPHFT-ZETCQYMHSA-N 0 0 247.672 3.570 20 0 BHADRN CCc1cccc(C)c1NC(=O)N1CC[C@H]1CC ZINC000292789013 386728521 /nfs/dbraw/zinc/72/85/21/386728521.db2.gz MMVOWDLLBVPBDV-CYBMUJFWSA-N 0 0 246.354 3.574 20 0 BHADRN CCc1cccc(C)c1NC(=O)N1CC[C@@H]1CC ZINC000292789018 386727177 /nfs/dbraw/zinc/72/71/77/386727177.db2.gz MMVOWDLLBVPBDV-ZDUSSCGKSA-N 0 0 246.354 3.574 20 0 BHADRN Cc1cnccc1SCOCCC(C)(C)C ZINC000292789357 386727186 /nfs/dbraw/zinc/72/71/86/386727186.db2.gz NGJHAQCUULLBSI-UHFFFAOYSA-N 0 0 239.384 3.892 20 0 BHADRN CCCCn1c(C)c(C)nc1SCSC ZINC000292795729 169035092 /nfs/dbraw/zinc/03/50/92/169035092.db2.gz ZWKCGNYUEGGKPI-UHFFFAOYSA-N 0 0 244.429 3.713 20 0 BHADRN CSCSCc1c(F)cccc1F ZINC000292796418 387161045 /nfs/dbraw/zinc/16/10/45/387161045.db2.gz ZZJYDZVVBHRKPR-UHFFFAOYSA-N 0 0 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20 0 BHADRN c1cc(NC[C@H]2CCSC2)ncc1C1CCC1 ZINC000293017720 183356979 /nfs/dbraw/zinc/35/69/79/183356979.db2.gz OPKRRHIZQNIVFF-LLVKDONJSA-N 0 0 248.395 3.514 20 0 BHADRN c1cc(NC[C@@H]2CCSC2)ncc1C1CCC1 ZINC000293017727 183357665 /nfs/dbraw/zinc/35/76/65/183357665.db2.gz OPKRRHIZQNIVFF-NSHDSACASA-N 0 0 248.395 3.514 20 0 BHADRN c1cc([C@@H]2CCOC2)ccc1NC1CCCC1 ZINC000293029989 183362151 /nfs/dbraw/zinc/36/21/51/183362151.db2.gz PTALVSDSLNGXPP-CYBMUJFWSA-N 0 0 231.339 3.545 20 0 BHADRN c1cc([C@H]2CCOC2)ccc1NC1CCCC1 ZINC000293029991 183363790 /nfs/dbraw/zinc/36/37/90/183363790.db2.gz PTALVSDSLNGXPP-ZDUSSCGKSA-N 0 0 231.339 3.545 20 0 BHADRN Cc1nocc1CNc1cccc(C2CCC2)c1 ZINC000293040065 386767277 /nfs/dbraw/zinc/76/72/77/386767277.db2.gz SEFRDAJZNILZIJ-UHFFFAOYSA-N 0 0 242.322 3.863 20 0 BHADRN c1cc(CNc2cccc(C3CC3)n2)cs1 ZINC000293060428 183357189 /nfs/dbraw/zinc/35/71/89/183357189.db2.gz UQPLNPXNUJPPSA-UHFFFAOYSA-N 0 0 230.336 3.633 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H](C)C(C)(F)F ZINC000293092365 179042695 /nfs/dbraw/zinc/04/26/95/179042695.db2.gz DXNSVTZENYBAAJ-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H](C)C(C)(F)F ZINC000293092367 179042672 /nfs/dbraw/zinc/04/26/72/179042672.db2.gz DXNSVTZENYBAAJ-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN CCSc1cccc(NCc2conc2C)c1 ZINC000293143801 170656174 /nfs/dbraw/zinc/65/61/74/170656174.db2.gz DCRTZKVXBCZHEH-UHFFFAOYSA-N 0 0 248.351 3.707 20 0 BHADRN CCSc1cccc(-c2noc(C3CC3)n2)c1 ZINC000293147167 386782416 /nfs/dbraw/zinc/78/24/16/386782416.db2.gz WYCZBUPPIFFNEV-UHFFFAOYSA-N 0 0 246.335 3.726 20 0 BHADRN CSCCC(=O)Nc1cccc(C2CCC2)c1 ZINC000293158295 386784159 /nfs/dbraw/zinc/78/41/59/386784159.db2.gz GIFQICQSCQUDAS-UHFFFAOYSA-N 0 0 249.379 3.646 20 0 BHADRN Cc1nocc1CNc1cc(C)ccc1Cl ZINC000293165426 387957860 /nfs/dbraw/zinc/95/78/60/387957860.db2.gz FWNLTBGZZUCLGD-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1nocc1CNc1ccccc1C(C)C ZINC000293173188 386785291 /nfs/dbraw/zinc/78/52/91/386785291.db2.gz 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CMLFXHBUDQWYIX-UKRRQHHQSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@H]1CCN1C(=O)CC[C@H](C)c1ccccc1 ZINC000293863610 386891127 /nfs/dbraw/zinc/89/11/27/386891127.db2.gz CMLFXHBUDQWYIX-ZFWWWQNUSA-N 0 0 245.366 3.581 20 0 BHADRN Cc1ccoc1CN[C@H](C)c1cc(C)c(C)o1 ZINC000293872255 178228730 /nfs/dbraw/zinc/22/87/30/178228730.db2.gz YHPRCGMLUQOEQZ-LLVKDONJSA-N 0 0 233.311 3.649 20 0 BHADRN Cc1ccoc1CN[C@@H](C)c1cc(C)c(C)o1 ZINC000293872259 178252721 /nfs/dbraw/zinc/25/27/21/178252721.db2.gz YHPRCGMLUQOEQZ-NSHDSACASA-N 0 0 233.311 3.649 20 0 BHADRN CC[C@H]1CCN1C(=O)c1csc2ccccc12 ZINC000293883094 386895626 /nfs/dbraw/zinc/89/56/26/386895626.db2.gz DPXQNPUEQWXFLR-JTQLQIEISA-N 0 0 245.347 3.526 20 0 BHADRN CC[C@@H]1CCN1C(=O)c1csc2ccccc12 ZINC000293883096 171022383 /nfs/dbraw/zinc/02/23/83/171022383.db2.gz DPXQNPUEQWXFLR-SNVBAGLBSA-N 0 0 245.347 3.526 20 0 BHADRN CC[C@@H](CC(=O)N1CC[C@H]1CC)c1ccccc1 ZINC000293891768 386897868 /nfs/dbraw/zinc/89/78/68/386897868.db2.gz FEAMMGADTFEPEH-DZGCQCFKSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@H](CC(=O)N1CC[C@@H]1CC)c1ccccc1 ZINC000293891769 386898330 /nfs/dbraw/zinc/89/83/30/386898330.db2.gz FEAMMGADTFEPEH-HIFRSBDPSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@H](CC(=O)N1CC[C@H]1CC)c1ccccc1 ZINC000293891771 386899022 /nfs/dbraw/zinc/89/90/22/386899022.db2.gz FEAMMGADTFEPEH-UKRRQHHQSA-N 0 0 245.366 3.581 20 0 BHADRN CC[C@@H](CC(=O)N1CC[C@@H]1CC)c1ccccc1 ZINC000293891774 386898035 /nfs/dbraw/zinc/89/80/35/386898035.db2.gz FEAMMGADTFEPEH-ZFWWWQNUSA-N 0 0 245.366 3.581 20 0 BHADRN CC1=CC[C@H](Nc2ccc(F)c([C@@H](C)O)c2)CC1 ZINC000293903326 168121634 /nfs/dbraw/zinc/12/16/34/168121634.db2.gz LHAIAYQTCCPMDO-NEPJUHHUSA-N 0 0 249.329 3.790 20 0 BHADRN CC1=CC[C@@H](Nc2ccc(F)c([C@H](C)O)c2)CC1 ZINC000293903328 168119858 /nfs/dbraw/zinc/11/98/58/168119858.db2.gz LHAIAYQTCCPMDO-NWDGAFQWSA-N 0 0 249.329 3.790 20 0 BHADRN CC1=CC[C@H](Nc2ccc(F)c([C@H](C)O)c2)CC1 ZINC000293903331 168121684 /nfs/dbraw/zinc/12/16/84/168121684.db2.gz LHAIAYQTCCPMDO-RYUDHWBXSA-N 0 0 249.329 3.790 20 0 BHADRN CC1=CC[C@@H](Nc2ccc(F)c([C@@H](C)O)c2)CC1 ZINC000293903333 168119184 /nfs/dbraw/zinc/11/91/84/168119184.db2.gz LHAIAYQTCCPMDO-VXGBXAGGSA-N 0 0 249.329 3.790 20 0 BHADRN CC(C)c1cccc(N[C@H]2CCn3ccnc32)c1 ZINC000293904570 398205807 /nfs/dbraw/zinc/20/58/07/398205807.db2.gz HNSRLRKYMOXPFY-AWEZNQCLSA-N 0 0 241.338 3.563 20 0 BHADRN CC(C)c1cccc(N[C@@H]2CCn3ccnc32)c1 ZINC000293904574 398206360 /nfs/dbraw/zinc/20/63/60/398206360.db2.gz HNSRLRKYMOXPFY-CQSZACIVSA-N 0 0 241.338 3.563 20 0 BHADRN CC[C@@H]1CCN1C(=O)c1ccc2sccc2c1 ZINC000293970110 171020900 /nfs/dbraw/zinc/02/09/00/171020900.db2.gz KHTMSPCMDTVVST-GFCCVEGCSA-N 0 0 245.347 3.526 20 0 BHADRN CC[C@H]1CCN1C(=O)c1ccc2sccc2c1 ZINC000293970120 188212697 /nfs/dbraw/zinc/21/26/97/188212697.db2.gz KHTMSPCMDTVVST-LBPRGKRZSA-N 0 0 245.347 3.526 20 0 BHADRN CC[C@@H]1CCN1C(=O)c1cccc2ccsc21 ZINC000294000959 171021935 /nfs/dbraw/zinc/02/19/35/171021935.db2.gz MCZATXUOXGFYFJ-LLVKDONJSA-N 0 0 245.347 3.526 20 0 BHADRN CC[C@H]1CCN1C(=O)c1cccc2ccsc21 ZINC000294000962 385783579 /nfs/dbraw/zinc/78/35/79/385783579.db2.gz MCZATXUOXGFYFJ-NSHDSACASA-N 0 0 245.347 3.526 20 0 BHADRN Cc1ccc(N[C@@H]2C[C@H](C)n3ccnc32)c(C)c1 ZINC000294044818 384272202 /nfs/dbraw/zinc/27/22/02/384272202.db2.gz IXIDHBLJUZZRLJ-GXTWGEPZSA-N 0 0 241.338 3.618 20 0 BHADRN CC/C=C(\C)C(=O)NC(C)(C)c1ccccc1F ZINC000294074130 385800593 /nfs/dbraw/zinc/80/05/93/385800593.db2.gz LAFDKYWOMOVIDY-DHZHZOJOSA-N 0 0 249.329 3.533 20 0 BHADRN CC[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1C ZINC000294074488 385801024 /nfs/dbraw/zinc/80/10/24/385801024.db2.gz IBTGSRSWIOSZRG-SECBINFHSA-N 0 0 239.746 3.657 20 0 BHADRN CC[C@H](C)C(=O)N(C)c1cc(Cl)ccc1C ZINC000294074490 171247205 /nfs/dbraw/zinc/24/72/05/171247205.db2.gz IBTGSRSWIOSZRG-VIFPVBQESA-N 0 0 239.746 3.657 20 0 BHADRN Cc1cccc(N[C@@H]2C[C@@H](C)n3ccnc32)c1C ZINC000294093855 179154976 /nfs/dbraw/zinc/15/49/76/179154976.db2.gz MFMIYHKPVWIHOW-BXUZGUMPSA-N 0 0 241.338 3.618 20 0 BHADRN Cc1cccc(N[C@H]2C[C@@H](C)n3ccnc32)c1C ZINC000294093859 179158605 /nfs/dbraw/zinc/15/86/05/179158605.db2.gz MFMIYHKPVWIHOW-RISCZKNCSA-N 0 0 241.338 3.618 20 0 BHADRN CCc1nn(C)cc1N[C@@H](C)c1csc(C)c1 ZINC000294106343 172043914 /nfs/dbraw/zinc/04/39/14/172043914.db2.gz CMIQZCJPKGWJPB-JTQLQIEISA-N 0 0 249.383 3.526 20 0 BHADRN CCc1nn(C)cc1N[C@H](C)c1csc(C)c1 ZINC000294106347 172044258 /nfs/dbraw/zinc/04/42/58/172044258.db2.gz CMIQZCJPKGWJPB-SNVBAGLBSA-N 0 0 249.383 3.526 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H]2CC=C(C)CC2)c1 ZINC000294106546 187698059 /nfs/dbraw/zinc/69/80/59/187698059.db2.gz FPMSWOWUWKCDTD-CYBMUJFWSA-N 0 0 244.338 3.556 20 0 BHADRN CC(=O)Nc1cccc(N[C@H]2CC=C(C)CC2)c1 ZINC000294108632 188569714 /nfs/dbraw/zinc/56/97/14/188569714.db2.gz FPMSWOWUWKCDTD-ZDUSSCGKSA-N 0 0 244.338 3.556 20 0 BHADRN C/C=C(\CC)C(=O)NC(C)(C)c1ccccc1F ZINC000294116995 188569979 /nfs/dbraw/zinc/56/99/79/188569979.db2.gz NUNWOTKSPKMCCI-VZUCSPMQSA-N 0 0 249.329 3.533 20 0 BHADRN 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CCc1ccc(N[C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000294143266 385101572 /nfs/dbraw/zinc/10/15/72/385101572.db2.gz PNWNHEORZDLZGM-RISCZKNCSA-N 0 0 241.338 3.563 20 0 BHADRN CCc1ccc(N[C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000294143268 385100319 /nfs/dbraw/zinc/10/03/19/385100319.db2.gz PNWNHEORZDLZGM-SMDDNHRTSA-N 0 0 241.338 3.563 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1F ZINC000294169326 385817032 /nfs/dbraw/zinc/81/70/32/385817032.db2.gz CHSVBRZXVBDONO-GHMZBOCLSA-N 0 0 235.302 3.591 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1F ZINC000294169330 385816789 /nfs/dbraw/zinc/81/67/89/385816789.db2.gz CHSVBRZXVBDONO-MNOVXSKESA-N 0 0 235.302 3.591 20 0 BHADRN CC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1F ZINC000294169334 385816368 /nfs/dbraw/zinc/81/63/68/385816368.db2.gz CHSVBRZXVBDONO-QWRGUYRKSA-N 0 0 235.302 3.591 20 0 BHADRN CC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1F ZINC000294169337 385817099 /nfs/dbraw/zinc/81/70/99/385817099.db2.gz CHSVBRZXVBDONO-WDEREUQCSA-N 0 0 235.302 3.591 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc(Cl)c2)c2nccn21 ZINC000294169910 176380592 /nfs/dbraw/zinc/38/05/92/176380592.db2.gz RIYZMVLJXCUQCO-BXKDBHETSA-N 0 0 247.729 3.654 20 0 BHADRN C[C@H]1C[C@H](Nc2cccc(Cl)c2)c2nccn21 ZINC000294169912 177372305 /nfs/dbraw/zinc/37/23/05/177372305.db2.gz RIYZMVLJXCUQCO-CABZTGNLSA-N 0 0 247.729 3.654 20 0 BHADRN C[C@H]1C[C@@H](Nc2cccc(Cl)c2)c2nccn21 ZINC000294169914 177334443 /nfs/dbraw/zinc/33/44/43/177334443.db2.gz RIYZMVLJXCUQCO-JOYOIKCWSA-N 0 0 247.729 3.654 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc(Cl)c2)c2nccn21 ZINC000294169916 385353339 /nfs/dbraw/zinc/35/33/39/385353339.db2.gz RIYZMVLJXCUQCO-SKDRFNHKSA-N 0 0 247.729 3.654 20 0 BHADRN CC[C@@H](Nc1c(C)nn(C)c1C)c1ccsc1 ZINC000294170527 345306894 /nfs/dbraw/zinc/30/68/94/345306894.db2.gz CJJSXJBPDGMHFJ-GFCCVEGCSA-N 0 0 249.383 3.662 20 0 BHADRN CC[C@H](Nc1c(C)nn(C)c1C)c1ccsc1 ZINC000294170530 171550543 /nfs/dbraw/zinc/55/05/43/171550543.db2.gz CJJSXJBPDGMHFJ-LBPRGKRZSA-N 0 0 249.383 3.662 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc(C)cc1Cl ZINC000294175208 385816234 /nfs/dbraw/zinc/81/62/34/385816234.db2.gz DFZKNUUVNFDXQZ-CMDGGOBGSA-N 0 0 237.730 3.943 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@H](C)c1ccccc1C ZINC000294176600 398124483 /nfs/dbraw/zinc/12/44/83/398124483.db2.gz AHEPXFQLOIWCEH-GCZGRYASSA-N 0 0 245.366 3.871 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000294176606 167820144 /nfs/dbraw/zinc/82/01/44/167820144.db2.gz AHEPXFQLOIWCEH-GETOMWPZSA-N 0 0 245.366 3.871 20 0 BHADRN CC/C(C)=C/C(=O)N(Cc1cccs1)C1CC1 ZINC000294190265 385820744 /nfs/dbraw/zinc/82/07/44/385820744.db2.gz BDCCYNXMNZQDBI-PKNBQFBNSA-N 0 0 249.379 3.595 20 0 BHADRN CC(C)CCCC(=O)Nc1ccccc1F ZINC000294198939 385821636 /nfs/dbraw/zinc/82/16/36/385821636.db2.gz HAJVHIHQMJIORD-UHFFFAOYSA-N 0 0 223.291 3.591 20 0 BHADRN CC[C@@H]1CCN1C(=O)c1cc2ccccc2s1 ZINC000294199230 171021255 /nfs/dbraw/zinc/02/12/55/171021255.db2.gz XQZYZEKHEGDVME-LLVKDONJSA-N 0 0 245.347 3.526 20 0 BHADRN CC[C@H]1CCN1C(=O)c1cc2ccccc2s1 ZINC000294199235 385821523 /nfs/dbraw/zinc/82/15/23/385821523.db2.gz XQZYZEKHEGDVME-NSHDSACASA-N 0 0 245.347 3.526 20 0 BHADRN Cc1ccc(C)c(N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000294200219 388396613 /nfs/dbraw/zinc/39/66/13/388396613.db2.gz SWNWKQHNJFVHRB-GXTWGEPZSA-N 0 0 241.338 3.618 20 0 BHADRN Cc1ccc(C)c(N[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000294200222 384560680 /nfs/dbraw/zinc/56/06/80/384560680.db2.gz SWNWKQHNJFVHRB-JSGCOSHPSA-N 0 0 241.338 3.618 20 0 BHADRN Cc1ccc(C)c(N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000294200225 410472393 /nfs/dbraw/zinc/47/23/93/410472393.db2.gz SWNWKQHNJFVHRB-OCCSQVGLSA-N 0 0 241.338 3.618 20 0 BHADRN Cc1ccc(C)c(N[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000294200228 398342945 /nfs/dbraw/zinc/34/29/45/398342945.db2.gz SWNWKQHNJFVHRB-TZMCWYRMSA-N 0 0 241.338 3.618 20 0 BHADRN CCCN(CC(C)C)C(=O)c1ccsc1C ZINC000294202778 169105754 /nfs/dbraw/zinc/10/57/54/169105754.db2.gz BXJWRUGCBUHYJT-UHFFFAOYSA-N 0 0 239.384 3.565 20 0 BHADRN Cc1cc([C@@H](C)Nc2c(C)nn(C)c2C)cs1 ZINC000294206915 178232754 /nfs/dbraw/zinc/23/27/54/178232754.db2.gz MGUPUMORLDKGIY-SECBINFHSA-N 0 0 249.383 3.580 20 0 BHADRN Cc1cc([C@H](C)Nc2c(C)nn(C)c2C)cs1 ZINC000294206922 178259659 /nfs/dbraw/zinc/25/96/59/178259659.db2.gz MGUPUMORLDKGIY-VIFPVBQESA-N 0 0 249.383 3.580 20 0 BHADRN CCCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000294211498 168537383 /nfs/dbraw/zinc/53/73/83/168537383.db2.gz PIFPZBRVOCRMBB-HNNXBMFYSA-N 0 0 243.350 3.540 20 0 BHADRN CCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000294211501 385824522 /nfs/dbraw/zinc/82/45/22/385824522.db2.gz PIFPZBRVOCRMBB-OAHLLOKOSA-N 0 0 243.350 3.540 20 0 BHADRN CC(C)CCCC(=O)N(C)Cc1cccs1 ZINC000294217570 385824163 /nfs/dbraw/zinc/82/41/63/385824163.db2.gz CNBRVCCZWRWTSV-UHFFFAOYSA-N 0 0 239.384 3.533 20 0 BHADRN CC(F)(F)CCNc1ccc2ccccc2n1 ZINC000294218278 384669856 /nfs/dbraw/zinc/66/98/56/384669856.db2.gz NDSQTIDGOJQYQL-UHFFFAOYSA-N 0 0 236.265 3.692 20 0 BHADRN CCC[C@@H]([NH2+]Cc1conc1C)c1ccccc1 ZINC000294224551 384680744 /nfs/dbraw/zinc/68/07/44/384680744.db2.gz SNBNLJVLVJOOIQ-OAHLLOKOSA-N 0 0 244.338 3.614 20 0 BHADRN CCc1ccccc1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000294233229 388396624 /nfs/dbraw/zinc/39/66/24/388396624.db2.gz VQJAONYDACCCTR-BXUZGUMPSA-N 0 0 241.338 3.563 20 0 BHADRN CCc1ccccc1N[C@H]1C[C@H](C)n2ccnc21 ZINC000294233234 171889765 /nfs/dbraw/zinc/88/97/65/171889765.db2.gz VQJAONYDACCCTR-FZMZJTMJSA-N 0 0 241.338 3.563 20 0 BHADRN CCc1ccccc1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000294233240 384690430 /nfs/dbraw/zinc/69/04/30/384690430.db2.gz VQJAONYDACCCTR-RISCZKNCSA-N 0 0 241.338 3.563 20 0 BHADRN CCc1ccccc1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000294233244 384689437 /nfs/dbraw/zinc/68/94/37/384689437.db2.gz VQJAONYDACCCTR-SMDDNHRTSA-N 0 0 241.338 3.563 20 0 BHADRN C[C@H](c1ccco1)N(C)C(=O)CC(C)(C)C1CC1 ZINC000294238821 177046657 /nfs/dbraw/zinc/04/66/57/177046657.db2.gz VXXKORYFSOLPOY-LLVKDONJSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@@H](c1ccco1)N(C)C(=O)CC(C)(C)C1CC1 ZINC000294238825 176030966 /nfs/dbraw/zinc/03/09/66/176030966.db2.gz VXXKORYFSOLPOY-NSHDSACASA-N 0 0 249.354 3.625 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@H](C)c1ccccc1F ZINC000294247027 385828246 /nfs/dbraw/zinc/82/82/46/385828246.db2.gz FTVQMDFALFEPHI-HCRIHEDKSA-N 0 0 249.329 3.701 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000294247030 385827875 /nfs/dbraw/zinc/82/78/75/385827875.db2.gz FTVQMDFALFEPHI-IIANPFDCSA-N 0 0 249.329 3.701 20 0 BHADRN CCc1cccc(N[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000294264326 384706650 /nfs/dbraw/zinc/70/66/50/384706650.db2.gz XMEZPTUOPBCYBH-BXUZGUMPSA-N 0 0 241.338 3.563 20 0 BHADRN CCc1cccc(N[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000294264329 384706973 /nfs/dbraw/zinc/70/69/73/384706973.db2.gz XMEZPTUOPBCYBH-FZMZJTMJSA-N 0 0 241.338 3.563 20 0 BHADRN CCc1cccc(N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000294264332 384707016 /nfs/dbraw/zinc/70/70/16/384707016.db2.gz XMEZPTUOPBCYBH-RISCZKNCSA-N 0 0 241.338 3.563 20 0 BHADRN CCc1cccc(N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000294264335 384706300 /nfs/dbraw/zinc/70/63/00/384706300.db2.gz XMEZPTUOPBCYBH-SMDDNHRTSA-N 0 0 241.338 3.563 20 0 BHADRN CCCOc1ccccc1NC(=O)/C=C(\C)CC ZINC000294267418 169326859 /nfs/dbraw/zinc/32/68/59/169326859.db2.gz DABQEJSBOAOHGM-VAWYXSNFSA-N 0 0 247.338 3.770 20 0 BHADRN Cc1sccc1CN(CC(F)F)C(C)C ZINC000294271629 180564102 /nfs/dbraw/zinc/56/41/02/180564102.db2.gz OLQOGQSILVNXOM-UHFFFAOYSA-N 0 0 233.327 3.532 20 0 BHADRN Cc1ccc(Cl)cc1N(C)C(=O)CC(C)C ZINC000294272365 178662804 /nfs/dbraw/zinc/66/28/04/178662804.db2.gz REAOTSRGZNNGNF-UHFFFAOYSA-N 0 0 239.746 3.657 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000294273615 167825297 /nfs/dbraw/zinc/82/52/97/167825297.db2.gz DKYGVSSPRATKRC-LPQFERQCSA-N 0 0 243.350 3.610 20 0 BHADRN CC/C(C)=C/C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000294273620 167824378 /nfs/dbraw/zinc/82/43/78/167824378.db2.gz DKYGVSSPRATKRC-PCUGXKRQSA-N 0 0 243.350 3.610 20 0 BHADRN CC/C(C)=C/C(=O)N1CCC[C@@H]1c1cccs1 ZINC000294274437 167821675 /nfs/dbraw/zinc/82/16/75/167821675.db2.gz HASNJQMLZKCAGL-HCRIHEDKSA-N 0 0 249.379 3.768 20 0 BHADRN CC/C(C)=C/C(=O)N1CCC[C@H]1c1cccs1 ZINC000294274441 385831885 /nfs/dbraw/zinc/83/18/85/385831885.db2.gz HASNJQMLZKCAGL-IIANPFDCSA-N 0 0 249.379 3.768 20 0 BHADRN CCOc1ccc(NC(=O)/C=C(\C)CC)c(C)c1 ZINC000294276761 385830892 /nfs/dbraw/zinc/83/08/92/385830892.db2.gz BEVSMKFFRNBZPL-PKNBQFBNSA-N 0 0 247.338 3.689 20 0 BHADRN CC[C@@H]([NH2+]CCC(C)(F)F)c1ccccc1F ZINC000294278689 388397835 /nfs/dbraw/zinc/39/78/35/388397835.db2.gz SMOBAPCNOKTJDP-GFCCVEGCSA-N 0 0 245.288 3.912 20 0 BHADRN CC[C@H]([NH2+]CCC(C)(F)F)c1ccccc1F ZINC000294278694 388397656 /nfs/dbraw/zinc/39/76/56/388397656.db2.gz SMOBAPCNOKTJDP-LBPRGKRZSA-N 0 0 245.288 3.912 20 0 BHADRN CCC[C@H](OC)C(=O)Nc1ccccc1C(C)C ZINC000294286973 385832992 /nfs/dbraw/zinc/83/29/92/385832992.db2.gz FBXSENVDCFVBLZ-AWEZNQCLSA-N 0 0 249.354 3.564 20 0 BHADRN CCC[C@@H](OC)C(=O)Nc1ccccc1C(C)C ZINC000294286980 385832742 /nfs/dbraw/zinc/83/27/42/385832742.db2.gz FBXSENVDCFVBLZ-CQSZACIVSA-N 0 0 249.354 3.564 20 0 BHADRN CC(F)(F)CCNc1nc2ccccc2s1 ZINC000294287091 167816533 /nfs/dbraw/zinc/81/65/33/167816533.db2.gz TXKWBKNWVHUMCP-UHFFFAOYSA-N 0 0 242.294 3.754 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@H](C)c1cccs1 ZINC000294288690 167820821 /nfs/dbraw/zinc/82/08/21/167820821.db2.gz BUQMGDPCHQUSSB-PBQZMEPESA-N 0 0 237.368 3.624 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@@H](C)c1cccs1 ZINC000294288692 385833373 /nfs/dbraw/zinc/83/33/73/385833373.db2.gz BUQMGDPCHQUSSB-USKTWTLRSA-N 0 0 237.368 3.624 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccccc1SC ZINC000294290482 167824540 /nfs/dbraw/zinc/82/45/40/167824540.db2.gz FFOHRTXKSXAJPP-MDZDMXLPSA-N 0 0 235.352 3.703 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](C)c1ccccc1C ZINC000294294711 385833493 /nfs/dbraw/zinc/83/34/93/385833493.db2.gz IEKLBZYIKYAIJL-OCHBPSSRSA-N 0 0 231.339 3.529 20 0 BHADRN CC(F)(F)CC[NH2+]Cc1cc(Cl)cs1 ZINC000294295094 384740865 /nfs/dbraw/zinc/74/08/65/384740865.db2.gz UOOTWUPGQPCOKJ-UHFFFAOYSA-N 0 0 239.718 3.536 20 0 BHADRN CCc1c2ccccc2oc1C(=O)N[C@@H](C)CC ZINC000294295270 385834219 /nfs/dbraw/zinc/83/42/19/385834219.db2.gz VTNYYIYBQIPWKN-JTQLQIEISA-N 0 0 245.322 3.524 20 0 BHADRN CCc1c2ccccc2oc1C(=O)N[C@H](C)CC ZINC000294295272 385834582 /nfs/dbraw/zinc/83/45/82/385834582.db2.gz VTNYYIYBQIPWKN-SNVBAGLBSA-N 0 0 245.322 3.524 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000294303342 167819876 /nfs/dbraw/zinc/81/98/76/167819876.db2.gz IWSUKKWXPKNNHF-GCZGRYASSA-N 0 0 245.366 3.871 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000294303347 167819953 /nfs/dbraw/zinc/81/99/53/167819953.db2.gz IWSUKKWXPKNNHF-GETOMWPZSA-N 0 0 245.366 3.871 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N(C)[C@H](C)c1ccco1 ZINC000294334845 170996342 /nfs/dbraw/zinc/99/63/42/170996342.db2.gz LARRDBOSHZSXSP-JHJVBQTASA-N 0 0 249.354 3.625 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N(C)[C@H](C)c1ccco1 ZINC000294334849 352374699 /nfs/dbraw/zinc/37/46/99/352374699.db2.gz LARRDBOSHZSXSP-UPJWGTAASA-N 0 0 249.354 3.625 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N(C)[C@@H](C)c1ccco1 ZINC000294334854 352374642 /nfs/dbraw/zinc/37/46/42/352374642.db2.gz LARRDBOSHZSXSP-XQQFMLRXSA-N 0 0 249.354 3.625 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N(C)[C@@H](C)c1ccco1 ZINC000294334857 170995787 /nfs/dbraw/zinc/99/57/87/170995787.db2.gz LARRDBOSHZSXSP-YNEHKIRRSA-N 0 0 249.354 3.625 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000294337996 398126451 /nfs/dbraw/zinc/12/64/51/398126451.db2.gz IJTKKZCSPAZAGB-HCRIHEDKSA-N 0 0 249.329 3.701 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000294338001 398126380 /nfs/dbraw/zinc/12/63/80/398126380.db2.gz IJTKKZCSPAZAGB-IIANPFDCSA-N 0 0 249.329 3.701 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cccc(Cl)c1F ZINC000294350082 385839516 /nfs/dbraw/zinc/83/95/16/385839516.db2.gz JAEAXVGKUPDJBI-BQYQJAHWSA-N 0 0 241.693 3.774 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc(SC)cc1 ZINC000294350382 167825286 /nfs/dbraw/zinc/82/52/86/167825286.db2.gz JDHGWOBKBFQKNR-MDZDMXLPSA-N 0 0 235.352 3.703 20 0 BHADRN Cc1sccc1C(=O)N(CC(C)C)C(C)C ZINC000294368712 385843282 /nfs/dbraw/zinc/84/32/82/385843282.db2.gz BFIHXWUAEHRVBO-UHFFFAOYSA-N 0 0 239.384 3.563 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc(Cl)cc1F ZINC000294380095 167824998 /nfs/dbraw/zinc/82/49/98/167824998.db2.gz NWCMZJHKLNCELI-SOFGYWHQSA-N 0 0 241.693 3.774 20 0 BHADRN CCc1nn(C)cc1N[C@H](CC)c1ccsc1 ZINC000294383369 172043637 /nfs/dbraw/zinc/04/36/37/172043637.db2.gz IQVGXPPCKQAGNJ-LLVKDONJSA-N 0 0 249.383 3.607 20 0 BHADRN CCc1nn(C)cc1N[C@@H](CC)c1ccsc1 ZINC000294383371 172044059 /nfs/dbraw/zinc/04/40/59/172044059.db2.gz IQVGXPPCKQAGNJ-NSHDSACASA-N 0 0 249.383 3.607 20 0 BHADRN Cc1sccc1C(=O)NC1(C)CCCCC1 ZINC000294391928 385844880 /nfs/dbraw/zinc/84/48/80/385844880.db2.gz DFOIXQVPNLYDPG-UHFFFAOYSA-N 0 0 237.368 3.509 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](CC)c1ccccc1 ZINC000294401101 385845947 /nfs/dbraw/zinc/84/59/47/385845947.db2.gz OREKGMAABUWWST-GCZGRYASSA-N 0 0 231.339 3.610 20 0 BHADRN CC/C(C)=C/C(=O)N[C@@H](CC)c1ccccc1 ZINC000294401106 385846052 /nfs/dbraw/zinc/84/60/52/385846052.db2.gz OREKGMAABUWWST-GETOMWPZSA-N 0 0 231.339 3.610 20 0 BHADRN CC(C)CCCC(=O)Nc1c(F)cccc1F ZINC000294419242 385848714 /nfs/dbraw/zinc/84/87/14/385848714.db2.gz KGCFJSOJEACOPN-UHFFFAOYSA-N 0 0 241.281 3.730 20 0 BHADRN CC/C(C)=C/C(=O)N1CCC[C@H]1c1ccsc1 ZINC000294421867 167821899 /nfs/dbraw/zinc/82/18/99/167821899.db2.gz JPYAPPQAIOHQSB-STRFDMGBSA-N 0 0 249.379 3.768 20 0 BHADRN CC/C(C)=C/C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000294421870 167821961 /nfs/dbraw/zinc/82/19/61/167821961.db2.gz JPYAPPQAIOHQSB-YGNAEDSMSA-N 0 0 249.379 3.768 20 0 BHADRN CC(C)CCCC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000294427280 385850318 /nfs/dbraw/zinc/85/03/18/385850318.db2.gz JXYBVUVLBXBJIN-AWEZNQCLSA-N 0 0 248.370 3.505 20 0 BHADRN CC(C)CCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000294427282 166800018 /nfs/dbraw/zinc/80/00/18/166800018.db2.gz JXYBVUVLBXBJIN-CQSZACIVSA-N 0 0 248.370 3.505 20 0 BHADRN Cc1ccc(Cl)cc1N(C)C(=O)C1CC=CC1 ZINC000294452369 178662551 /nfs/dbraw/zinc/66/25/51/178662551.db2.gz ZZVCSQMYHXTEGG-UHFFFAOYSA-N 0 0 249.741 3.577 20 0 BHADRN CC/C(C)=C/C(=O)N(Cc1ccccc1)C1CC1 ZINC000294452787 385852062 /nfs/dbraw/zinc/85/20/62/385852062.db2.gz NKIQWADZYIJJHB-ACCUITESSA-N 0 0 243.350 3.534 20 0 BHADRN CC(C)CCCC(=O)N(C)[C@H](C)c1ccco1 ZINC000294470059 166799903 /nfs/dbraw/zinc/79/99/03/166799903.db2.gz SSQATUAWSKMJHD-GFCCVEGCSA-N 0 0 237.343 3.625 20 0 BHADRN CC(C)CCCC(=O)N(C)[C@@H](C)c1ccco1 ZINC000294470062 385854371 /nfs/dbraw/zinc/85/43/71/385854371.db2.gz SSQATUAWSKMJHD-LBPRGKRZSA-N 0 0 237.343 3.625 20 0 BHADRN Cc1sccc1C(=O)NC1CCCCCC1 ZINC000294470915 385854701 /nfs/dbraw/zinc/85/47/01/385854701.db2.gz UYPOCSPIWUXZEJ-UHFFFAOYSA-N 0 0 237.368 3.509 20 0 BHADRN CC/C(C)=C/C(=O)N1CCc2sccc2[C@H]1C ZINC000294480238 385855624 /nfs/dbraw/zinc/85/56/24/385855624.db2.gz QQUZCKFDWLLDAQ-PBQZMEPESA-N 0 0 249.379 3.550 20 0 BHADRN CC/C(C)=C/C(=O)N1CCc2sccc2[C@@H]1C ZINC000294480240 167821189 /nfs/dbraw/zinc/82/11/89/167821189.db2.gz QQUZCKFDWLLDAQ-USKTWTLRSA-N 0 0 249.379 3.550 20 0 BHADRN CC[C@@H](Nc1cnn(CC)c1)c1ccsc1 ZINC000294489370 364777733 /nfs/dbraw/zinc/77/77/33/364777733.db2.gz YDKURXWNLBJFOF-GFCCVEGCSA-N 0 0 235.356 3.528 20 0 BHADRN CC[C@H](Nc1cnn(CC)c1)c1ccsc1 ZINC000294489374 388401636 /nfs/dbraw/zinc/40/16/36/388401636.db2.gz YDKURXWNLBJFOF-LBPRGKRZSA-N 0 0 235.356 3.528 20 0 BHADRN CCOc1cc(C)ccc1NC(=O)/C=C(\C)CC ZINC000294493154 385857399 /nfs/dbraw/zinc/85/73/99/385857399.db2.gz OUKFMRBPVSXCOJ-ZHACJKMWSA-N 0 0 247.338 3.689 20 0 BHADRN COCc1cccc(NC(=O)CCCC(C)C)c1 ZINC000294495406 174632141 /nfs/dbraw/zinc/63/21/41/174632141.db2.gz VBCKZINZCCHUJZ-UHFFFAOYSA-N 0 0 249.354 3.598 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc(C)c(OC)c1C ZINC000294500362 385857983 /nfs/dbraw/zinc/85/79/83/385857983.db2.gz VGZKHGLRGBGMEH-MDZDMXLPSA-N 0 0 247.338 3.607 20 0 BHADRN COCc1ccccc1NC(=O)CCCC(C)C ZINC000294518990 385861097 /nfs/dbraw/zinc/86/10/97/385861097.db2.gz OVIJNANEHJMXNV-UHFFFAOYSA-N 0 0 249.354 3.598 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cccc(C(F)F)c1 ZINC000294531828 385863378 /nfs/dbraw/zinc/86/33/78/385863378.db2.gz LLPMKMRMPFPLNO-VQHVLOKHSA-N 0 0 239.265 3.919 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccccc1OC(C)C ZINC000294543575 167825104 /nfs/dbraw/zinc/82/51/04/167825104.db2.gz QKTGPLKAZWOJCU-ZRDIBKRKSA-N 0 0 247.338 3.769 20 0 BHADRN CC(C)[C@H](C)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000294547166 385864627 /nfs/dbraw/zinc/86/46/27/385864627.db2.gz AYTVEQGHMBHRHK-GXTWGEPZSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)[C@H](C)Nc1ccc([C@H]2CCOC2)cc1 ZINC000294547169 385865172 /nfs/dbraw/zinc/86/51/72/385865172.db2.gz AYTVEQGHMBHRHK-JSGCOSHPSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc([C@H]2CCOC2)cc1 ZINC000294547173 167385602 /nfs/dbraw/zinc/38/56/02/167385602.db2.gz AYTVEQGHMBHRHK-OCCSQVGLSA-N 0 0 233.355 3.647 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000294547176 167385791 /nfs/dbraw/zinc/38/57/91/167385791.db2.gz AYTVEQGHMBHRHK-TZMCWYRMSA-N 0 0 233.355 3.647 20 0 BHADRN CCC[C@@H]1CCC[C@H]1C(=O)Nc1cnccc1C ZINC000294549041 169419444 /nfs/dbraw/zinc/41/94/44/169419444.db2.gz JZBPSFALWSICLS-CHWSQXEVSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cnccc1C ZINC000294549047 385864927 /nfs/dbraw/zinc/86/49/27/385864927.db2.gz JZBPSFALWSICLS-OLZOCXBDSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@H]1CCC[C@H]1C(=O)Nc1cnccc1C ZINC000294549052 385865714 /nfs/dbraw/zinc/86/57/14/385865714.db2.gz JZBPSFALWSICLS-QWHCGFSZSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@H]1CCC[C@@H]1C(=O)Nc1cnccc1C ZINC000294549060 385864920 /nfs/dbraw/zinc/86/49/20/385864920.db2.gz JZBPSFALWSICLS-STQMWFEESA-N 0 0 246.354 3.545 20 0 BHADRN CC/C(C)=C/C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000294549771 385864981 /nfs/dbraw/zinc/86/49/81/385864981.db2.gz YIMDRPFIBYUKOO-NHAQELONSA-N 0 0 231.339 3.529 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000294549772 385865071 /nfs/dbraw/zinc/86/50/71/385865071.db2.gz YIMDRPFIBYUKOO-OCHBPSSRSA-N 0 0 231.339 3.529 20 0 BHADRN CCc1c2ccccc2oc1C(=O)NC(C)(C)C ZINC000294563170 385867454 /nfs/dbraw/zinc/86/74/54/385867454.db2.gz UUOLNVLDWMLRSK-UHFFFAOYSA-N 0 0 245.322 3.524 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cc(Cl)ccc1F ZINC000294570536 385868618 /nfs/dbraw/zinc/86/86/18/385868618.db2.gz XJNLZQBGOKPQCZ-SOFGYWHQSA-N 0 0 241.693 3.774 20 0 BHADRN CC/C(C)=C/C(=O)N1CCC[C@H]1c1ccccc1 ZINC000294571643 385869225 /nfs/dbraw/zinc/86/92/25/385869225.db2.gz VOEYFKUUCIOUKG-LHNRBYRGSA-N 0 0 243.350 3.706 20 0 BHADRN CC/C(C)=C/C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000294571648 167821292 /nfs/dbraw/zinc/82/12/92/167821292.db2.gz VOEYFKUUCIOUKG-RDRICISKSA-N 0 0 243.350 3.706 20 0 BHADRN Cc1cc(C[N@@H+](C)[C@H](C)c2ccco2)cs1 ZINC000294573506 385869074 /nfs/dbraw/zinc/86/90/74/385869074.db2.gz PBDOXAZYLMVGCZ-LLVKDONJSA-N 0 0 235.352 3.843 20 0 BHADRN Cc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)cs1 ZINC000294573509 385869270 /nfs/dbraw/zinc/86/92/70/385869270.db2.gz PBDOXAZYLMVGCZ-NSHDSACASA-N 0 0 235.352 3.843 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@H](C)c1ccccc1 ZINC000294582594 385870101 /nfs/dbraw/zinc/87/01/01/385870101.db2.gz YBYGOOQIDDZYMT-XZHRJIJLSA-N 0 0 231.339 3.562 20 0 BHADRN CC/C(C)=C/C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000294582599 167820312 /nfs/dbraw/zinc/82/03/12/167820312.db2.gz YBYGOOQIDDZYMT-YLSINNKHSA-N 0 0 231.339 3.562 20 0 BHADRN CCC1(CC)CN(C(=O)c2occc2C(C)C)C1 ZINC000294597550 168461526 /nfs/dbraw/zinc/46/15/26/168461526.db2.gz ZITDFJMMEBGOCW-UHFFFAOYSA-N 0 0 249.354 3.665 20 0 BHADRN CC/C(C)=C/C(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000294608511 385874553 /nfs/dbraw/zinc/87/45/53/385874553.db2.gz RUOYOHQYTMSBIK-HCRIHEDKSA-N 0 0 247.338 3.688 20 0 BHADRN CC/C(C)=C/C(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000294608514 385874370 /nfs/dbraw/zinc/87/43/70/385874370.db2.gz RUOYOHQYTMSBIK-IIANPFDCSA-N 0 0 247.338 3.688 20 0 BHADRN CC(C)c1ccccc1NC(=O)CSC1CC1 ZINC000294624898 398129067 /nfs/dbraw/zinc/12/90/67/398129067.db2.gz ZBUKLMJTBWTGBH-UHFFFAOYSA-N 0 0 249.379 3.644 20 0 BHADRN CSc1cccc(N[C@@H]2CSC[C@H]2C)c1 ZINC000294642130 385086183 /nfs/dbraw/zinc/08/61/83/385086183.db2.gz AZBGOFUBZCJUSZ-BXKDBHETSA-N 0 0 239.409 3.572 20 0 BHADRN CSc1cccc(N[C@H]2CSC[C@@H]2C)c1 ZINC000294642131 385083748 /nfs/dbraw/zinc/08/37/48/385083748.db2.gz AZBGOFUBZCJUSZ-CABZTGNLSA-N 0 0 239.409 3.572 20 0 BHADRN CSc1cccc(N[C@@H]2CSC[C@@H]2C)c1 ZINC000294642132 385086450 /nfs/dbraw/zinc/08/64/50/385086450.db2.gz AZBGOFUBZCJUSZ-JOYOIKCWSA-N 0 0 239.409 3.572 20 0 BHADRN CSc1cccc(N[C@H]2CSC[C@H]2C)c1 ZINC000294642133 175581297 /nfs/dbraw/zinc/58/12/97/175581297.db2.gz AZBGOFUBZCJUSZ-SKDRFNHKSA-N 0 0 239.409 3.572 20 0 BHADRN CCc1cccc(NCc2ccncc2C)c1 ZINC000294647021 388402306 /nfs/dbraw/zinc/40/23/06/388402306.db2.gz BFWWDOHMKVCUCD-UHFFFAOYSA-N 0 0 226.323 3.565 20 0 BHADRN CCCCCC(=O)Nc1cc(F)cc(F)c1F ZINC000294655590 398129935 /nfs/dbraw/zinc/12/99/35/398129935.db2.gz RDTNIHXXDHLVQR-UHFFFAOYSA-N 0 0 245.244 3.623 20 0 BHADRN CSc1ccccc1N[C@@H]1CSC[C@@H]1C ZINC000294656330 385099555 /nfs/dbraw/zinc/09/95/55/385099555.db2.gz CHGAANKPTWYXGB-GXSJLCMTSA-N 0 0 239.409 3.572 20 0 BHADRN CSc1ccccc1N[C@H]1CSC[C@H]1C ZINC000294656335 175584082 /nfs/dbraw/zinc/58/40/82/175584082.db2.gz CHGAANKPTWYXGB-KOLCDFICSA-N 0 0 239.409 3.572 20 0 BHADRN CSc1ccccc1N[C@@H]1CSC[C@H]1C ZINC000294656339 385099218 /nfs/dbraw/zinc/09/92/18/385099218.db2.gz CHGAANKPTWYXGB-MWLCHTKSSA-N 0 0 239.409 3.572 20 0 BHADRN CSc1ccccc1N[C@H]1CSC[C@@H]1C ZINC000294656343 175583811 /nfs/dbraw/zinc/58/38/11/175583811.db2.gz CHGAANKPTWYXGB-ONGXEEELSA-N 0 0 239.409 3.572 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cc(F)ccc1Cl ZINC000294661004 398130407 /nfs/dbraw/zinc/13/04/07/398130407.db2.gz RZIFEPBCSSNPOD-SOFGYWHQSA-N 0 0 241.693 3.774 20 0 BHADRN CCc1cccc(NCc2ncc(C)s2)c1 ZINC000294662573 385096230 /nfs/dbraw/zinc/09/62/30/385096230.db2.gz CBFBPIJVRLUAAG-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN Cc1cccc(N[C@@H]2CCOC3(CCC3)C2)c1F ZINC000294665075 179155098 /nfs/dbraw/zinc/15/50/98/179155098.db2.gz CYDCNMJOTRFCKN-GFCCVEGCSA-N 0 0 249.329 3.648 20 0 BHADRN Cc1cccc(N[C@H]2CCOC3(CCC3)C2)c1F ZINC000294665081 179157470 /nfs/dbraw/zinc/15/74/70/179157470.db2.gz CYDCNMJOTRFCKN-LBPRGKRZSA-N 0 0 249.329 3.648 20 0 BHADRN c1cc(CNc2ccc3c(c2)CCCC3)ccn1 ZINC000294668619 183353730 /nfs/dbraw/zinc/35/37/30/183353730.db2.gz APZFMILRKAOOEY-UHFFFAOYSA-N 0 0 238.334 3.573 20 0 BHADRN Cc1c[nH]nc1CNc1cc(C)c(C)cc1Cl ZINC000294668767 178061340 /nfs/dbraw/zinc/06/13/40/178061340.db2.gz ARFDNOLMNUDDIH-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN CCOCc1cccc(NC(=O)/C=C(\C)CC)c1 ZINC000294675877 170458047 /nfs/dbraw/zinc/45/80/47/170458047.db2.gz WLFFBHJYCPWPPJ-FMIVXFBMSA-N 0 0 247.338 3.518 20 0 BHADRN CC(=O)Nc1ccc(N[C@H](C)CC(C)(C)C)cc1 ZINC000294682549 188269729 /nfs/dbraw/zinc/26/97/29/188269729.db2.gz DHCVAZXUSBXYFA-LLVKDONJSA-N 0 0 248.370 3.882 20 0 BHADRN CC(=O)Nc1ccc(N[C@@H](C)CC(C)(C)C)cc1 ZINC000294682552 187405892 /nfs/dbraw/zinc/40/58/92/187405892.db2.gz DHCVAZXUSBXYFA-NSHDSACASA-N 0 0 248.370 3.882 20 0 BHADRN COCC1CCC(Nc2ccccc2C)CC1 ZINC000294720298 174118524 /nfs/dbraw/zinc/11/85/24/174118524.db2.gz GAJZUIBYEWMCKB-UHFFFAOYSA-N 0 0 233.355 3.612 20 0 BHADRN C[C@H]1C[C@H](Nc2ccc3c(c2)CCCC3)CCO1 ZINC000294738311 177372732 /nfs/dbraw/zinc/37/27/32/177372732.db2.gz GZSHXYQRICZNJU-BLLLJJGKSA-N 0 0 245.366 3.545 20 0 BHADRN C[C@H]1C[C@@H](Nc2ccc3c(c2)CCCC3)CCO1 ZINC000294738317 177334380 /nfs/dbraw/zinc/33/43/80/177334380.db2.gz GZSHXYQRICZNJU-LRDDRELGSA-N 0 0 245.366 3.545 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc3c(c2)CCCC3)CCO1 ZINC000294738320 385158887 /nfs/dbraw/zinc/15/88/87/385158887.db2.gz GZSHXYQRICZNJU-MLGOLLRUSA-N 0 0 245.366 3.545 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCCC3)CCO1 ZINC000294738323 176380347 /nfs/dbraw/zinc/38/03/47/176380347.db2.gz GZSHXYQRICZNJU-WBMJQRKESA-N 0 0 245.366 3.545 20 0 BHADRN Cc1n[nH]cc1CNc1cc(C)c(C)cc1Cl ZINC000294753017 178060736 /nfs/dbraw/zinc/06/07/36/178060736.db2.gz IJQJDJUZPLZEMK-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccncc1C ZINC000294760412 385891144 /nfs/dbraw/zinc/89/11/44/385891144.db2.gz YCFOOTNZTWISCJ-CHWSQXEVSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccncc1C ZINC000294760414 385890885 /nfs/dbraw/zinc/89/08/85/385890885.db2.gz YCFOOTNZTWISCJ-OLZOCXBDSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@H]1CCC[C@H]1C(=O)Nc1ccncc1C ZINC000294760418 385891417 /nfs/dbraw/zinc/89/14/17/385891417.db2.gz YCFOOTNZTWISCJ-QWHCGFSZSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccncc1C ZINC000294760420 385890875 /nfs/dbraw/zinc/89/08/75/385890875.db2.gz YCFOOTNZTWISCJ-STQMWFEESA-N 0 0 246.354 3.545 20 0 BHADRN c1cncc(CNc2ccc3c(c2)CCCC3)c1 ZINC000294761191 385182182 /nfs/dbraw/zinc/18/21/82/385182182.db2.gz JDEPQFPNYYHDKD-UHFFFAOYSA-N 0 0 238.334 3.573 20 0 BHADRN Cc1cc(Cl)c(NCc2cocn2)cc1C ZINC000294769590 178061209 /nfs/dbraw/zinc/06/12/09/178061209.db2.gz KBRJUTUQKIRULA-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN CC(=O)Nc1cccc(N[C@H](C)CC(C)(C)C)c1 ZINC000294774827 385196482 /nfs/dbraw/zinc/19/64/82/385196482.db2.gz JQBWOHBAESDUBE-LLVKDONJSA-N 0 0 248.370 3.882 20 0 BHADRN CC(=O)Nc1cccc(N[C@@H](C)CC(C)(C)C)c1 ZINC000294774829 187241990 /nfs/dbraw/zinc/24/19/90/187241990.db2.gz JQBWOHBAESDUBE-NSHDSACASA-N 0 0 248.370 3.882 20 0 BHADRN CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccnc1C ZINC000294778036 385893244 /nfs/dbraw/zinc/89/32/44/385893244.db2.gz AIXSZNCTZXEQFG-CHWSQXEVSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccnc1C ZINC000294778040 169418406 /nfs/dbraw/zinc/41/84/06/169418406.db2.gz AIXSZNCTZXEQFG-OLZOCXBDSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@H]1CCC[C@H]1C(=O)Nc1cccnc1C ZINC000294778043 169526355 /nfs/dbraw/zinc/52/63/55/169526355.db2.gz AIXSZNCTZXEQFG-QWHCGFSZSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccnc1C ZINC000294778048 169526217 /nfs/dbraw/zinc/52/62/17/169526217.db2.gz AIXSZNCTZXEQFG-STQMWFEESA-N 0 0 246.354 3.545 20 0 BHADRN CC/C(C)=C/C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000294788366 167821506 /nfs/dbraw/zinc/82/15/06/167821506.db2.gz AQDOWPAWGJGNOF-FUKMMLACSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C(C)=C/C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000294788367 385895555 /nfs/dbraw/zinc/89/55/55/385895555.db2.gz AQDOWPAWGJGNOF-MEGULBDMSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C(C)=C/C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000294788369 385896379 /nfs/dbraw/zinc/89/63/79/385896379.db2.gz AQDOWPAWGJGNOF-PRRUQHAXSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C(C)=C/C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000294788370 385895049 /nfs/dbraw/zinc/89/50/49/385895049.db2.gz AQDOWPAWGJGNOF-ZXAJNCHPSA-N 0 0 243.350 3.562 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc(C(F)F)c2)[C@@H](C)O1 ZINC000294789597 176380255 /nfs/dbraw/zinc/38/02/55/176380255.db2.gz OKNDMRALNIUKPJ-KBVBSXBZSA-N 0 0 241.281 3.602 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc(C(F)F)c2)[C@@H](C)O1 ZINC000294789600 385219045 /nfs/dbraw/zinc/21/90/45/385219045.db2.gz OKNDMRALNIUKPJ-LNLATYFQSA-N 0 0 241.281 3.602 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc(C(F)F)c2)[C@H](C)O1 ZINC000294791560 388404208 /nfs/dbraw/zinc/40/42/08/388404208.db2.gz OKNDMRALNIUKPJ-PTRXPTGYSA-N 0 0 241.281 3.602 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc(C(F)F)c2)[C@H](C)O1 ZINC000294791562 388404464 /nfs/dbraw/zinc/40/44/64/388404464.db2.gz OKNDMRALNIUKPJ-VDDIYKPWSA-N 0 0 241.281 3.602 20 0 BHADRN COCC1CCC(Nc2ccc(C)cc2)CC1 ZINC000294798697 174118605 /nfs/dbraw/zinc/11/86/05/174118605.db2.gz LFGBSAGPVCLUOF-UHFFFAOYSA-N 0 0 233.355 3.612 20 0 BHADRN CCC(=O)c1cccc(NC(=O)/C=C(\C)CC)c1 ZINC000294804878 168257450 /nfs/dbraw/zinc/25/74/50/168257450.db2.gz CMZCTEFLGFCWKX-PKNBQFBNSA-N 0 0 245.322 3.574 20 0 BHADRN Cc1ccc(C)c(NCc2ccncc2C)c1 ZINC000294815130 388404733 /nfs/dbraw/zinc/40/47/33/388404733.db2.gz MGCLUFNWFNKEFZ-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN c1ncc(CNc2ccc3c(c2)CCCC3)s1 ZINC000294816802 385237842 /nfs/dbraw/zinc/23/78/42/385237842.db2.gz OKSYZNKKXDNLCZ-UHFFFAOYSA-N 0 0 244.363 3.634 20 0 BHADRN c1csc(CNc2ccc3c(c2)CCCC3)n1 ZINC000294828298 385242668 /nfs/dbraw/zinc/24/26/68/385242668.db2.gz PRPPDTHKYOFNON-UHFFFAOYSA-N 0 0 244.363 3.634 20 0 BHADRN C[C@H]1CSC[C@H]1Nc1cccc(C(F)F)c1 ZINC000294841481 388405398 /nfs/dbraw/zinc/40/53/98/388405398.db2.gz UAJOGBMTTDSBGS-GZMMTYOYSA-N 0 0 243.322 3.788 20 0 BHADRN C[C@@H]1CSC[C@@H]1Nc1cccc(C(F)F)c1 ZINC000294841483 176354210 /nfs/dbraw/zinc/35/42/10/176354210.db2.gz UAJOGBMTTDSBGS-KCJUWKMLSA-N 0 0 243.322 3.788 20 0 BHADRN C[C@H]1CSC[C@@H]1Nc1cccc(C(F)F)c1 ZINC000294841484 388405612 /nfs/dbraw/zinc/40/56/12/388405612.db2.gz UAJOGBMTTDSBGS-KWQFWETISA-N 0 0 243.322 3.788 20 0 BHADRN C[C@@H]1CSC[C@H]1Nc1cccc(C(F)F)c1 ZINC000294841486 176356756 /nfs/dbraw/zinc/35/67/56/176356756.db2.gz UAJOGBMTTDSBGS-LDYMZIIASA-N 0 0 243.322 3.788 20 0 BHADRN c1nc(CNc2ccc3c(c2)CCCC3)cs1 ZINC000294845030 183531565 /nfs/dbraw/zinc/53/15/65/183531565.db2.gz RLFRXIHOKVYVNR-UHFFFAOYSA-N 0 0 244.363 3.634 20 0 BHADRN CC(F)(F)CCCNc1ncccc1Cl ZINC000294849764 385265506 /nfs/dbraw/zinc/26/55/06/385265506.db2.gz BXFQJEAUJDSDLH-UHFFFAOYSA-N 0 0 234.677 3.582 20 0 BHADRN COCc1ccccc1NCc1csc(C)c1 ZINC000294859564 385271801 /nfs/dbraw/zinc/27/18/01/385271801.db2.gz VTUMOVSHTPTYQK-UHFFFAOYSA-N 0 0 247.363 3.815 20 0 BHADRN C[C@H](CC1CC1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000294866920 385905203 /nfs/dbraw/zinc/90/52/03/385905203.db2.gz CIMCEZZWLVTFML-DOMZBBRYSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@H](CC1CC1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000294866932 385906277 /nfs/dbraw/zinc/90/62/77/385906277.db2.gz CIMCEZZWLVTFML-IUODEOHRSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H](CC1CC1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000294866943 385906148 /nfs/dbraw/zinc/90/61/48/385906148.db2.gz CIMCEZZWLVTFML-SWLSCSKDSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H](CC1CC1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000294866953 175657348 /nfs/dbraw/zinc/65/73/48/175657348.db2.gz CIMCEZZWLVTFML-WFASDCNBSA-N 0 0 245.366 3.791 20 0 BHADRN c1nc(CCSC2CCCCC2)cs1 ZINC000294891715 183527869 /nfs/dbraw/zinc/52/78/69/183527869.db2.gz GFZLLOCPLRGOCB-UHFFFAOYSA-N 0 0 227.398 3.752 20 0 BHADRN CCc1ccccc1NCc1ccncc1C ZINC000294894889 388405362 /nfs/dbraw/zinc/40/53/62/388405362.db2.gz RQHGJBODRJJSMV-UHFFFAOYSA-N 0 0 226.323 3.565 20 0 BHADRN CC(C)(C)c1cc(CSCC2CC2)no1 ZINC000294896609 385912051 /nfs/dbraw/zinc/91/20/51/385912051.db2.gz BJZFKSBBIDKSNH-UHFFFAOYSA-N 0 0 225.357 3.615 20 0 BHADRN c1ccc(CNc2ccc3c(c2)CCCC3)nc1 ZINC000294897138 183405983 /nfs/dbraw/zinc/40/59/83/183405983.db2.gz WXSLXMOCXJDJNF-UHFFFAOYSA-N 0 0 238.334 3.573 20 0 BHADRN CSc1ccc(N[C@@H]2CSC[C@H]2C)cc1 ZINC000294897528 175577480 /nfs/dbraw/zinc/57/74/80/175577480.db2.gz RTLPBDZJTLOLFW-BXKDBHETSA-N 0 0 239.409 3.572 20 0 BHADRN CSc1ccc(N[C@H]2CSC[C@@H]2C)cc1 ZINC000294897531 175577659 /nfs/dbraw/zinc/57/76/59/175577659.db2.gz RTLPBDZJTLOLFW-CABZTGNLSA-N 0 0 239.409 3.572 20 0 BHADRN CSc1ccc(N[C@@H]2CSC[C@@H]2C)cc1 ZINC000294897534 388405462 /nfs/dbraw/zinc/40/54/62/388405462.db2.gz RTLPBDZJTLOLFW-JOYOIKCWSA-N 0 0 239.409 3.572 20 0 BHADRN CSc1ccc(N[C@H]2CSC[C@H]2C)cc1 ZINC000294897536 388405630 /nfs/dbraw/zinc/40/56/30/388405630.db2.gz RTLPBDZJTLOLFW-SKDRFNHKSA-N 0 0 239.409 3.572 20 0 BHADRN CC(F)(F)CCNc1ccnc2ccsc21 ZINC000294899257 385912175 /nfs/dbraw/zinc/91/21/75/385912175.db2.gz IAJSPSANSIJMTR-UHFFFAOYSA-N 0 0 242.294 3.754 20 0 BHADRN CCc1ccc(NCc2ccncc2C)cc1 ZINC000294912345 388405467 /nfs/dbraw/zinc/40/54/67/388405467.db2.gz SQDOZXPPINDLFI-UHFFFAOYSA-N 0 0 226.323 3.565 20 0 BHADRN CC(F)(F)CCCNc1ccncc1Cl ZINC000294924276 385312715 /nfs/dbraw/zinc/31/27/15/385312715.db2.gz KDIFKNKBTJXQPN-UHFFFAOYSA-N 0 0 234.677 3.582 20 0 BHADRN C[C@@H]1CCC[C@H](C)N1Cc1csc(Cl)n1 ZINC000294926043 177117628 /nfs/dbraw/zinc/11/76/28/177117628.db2.gz IUAGEJIKCPBUAH-DTORHVGOSA-N 0 0 244.791 3.559 20 0 BHADRN Cc1ccc(NCc2ccncc2C)cc1C ZINC000294929373 385318368 /nfs/dbraw/zinc/31/83/68/385318368.db2.gz UJPKFOWUCKGOBD-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN Cc1csc(SCC2CC(F)(F)C2)n1 ZINC000294931492 385918761 /nfs/dbraw/zinc/91/87/61/385918761.db2.gz HJZYGZHDKOTDOC-UHFFFAOYSA-N 0 0 235.324 3.589 20 0 BHADRN Cc1cc(C)cc(NCc2ccncc2C)c1 ZINC000294934521 385320403 /nfs/dbraw/zinc/32/04/03/385320403.db2.gz UQVYKKIZMAZPPD-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN CC(F)(F)CCCNc1ccc(Cl)cn1 ZINC000294946299 167815061 /nfs/dbraw/zinc/81/50/61/167815061.db2.gz LZQNLJOKTOFDLO-UHFFFAOYSA-N 0 0 234.677 3.582 20 0 BHADRN COCc1cccc(NCc2csc(C)c2)c1 ZINC000294975098 174632653 /nfs/dbraw/zinc/63/26/53/174632653.db2.gz XBXCGUDVKYGQQE-UHFFFAOYSA-N 0 0 247.363 3.815 20 0 BHADRN CCC(CC)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000294976037 168393798 /nfs/dbraw/zinc/39/37/98/168393798.db2.gz KEXJBOYEBWFNAS-CYBMUJFWSA-N 0 0 233.355 3.791 20 0 BHADRN CCC(CC)Nc1ccc([C@H]2CCOC2)cc1 ZINC000294976039 168394349 /nfs/dbraw/zinc/39/43/49/168394349.db2.gz KEXJBOYEBWFNAS-ZDUSSCGKSA-N 0 0 233.355 3.791 20 0 BHADRN CC(F)(F)CCCNc1nccc2occc21 ZINC000294981455 385352952 /nfs/dbraw/zinc/35/29/52/385352952.db2.gz PNRYIFUJWLGTLV-UHFFFAOYSA-N 0 0 240.253 3.675 20 0 BHADRN Cc1cccc(NCc2ccncc2C)c1C ZINC000294994964 385365174 /nfs/dbraw/zinc/36/51/74/385365174.db2.gz YIRZCGSPYRCFMU-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN CC(F)(F)CCCNc1ccnc(Cl)c1 ZINC000294997598 167815605 /nfs/dbraw/zinc/81/56/05/167815605.db2.gz RJEZKLKCVPFJKY-UHFFFAOYSA-N 0 0 234.677 3.582 20 0 BHADRN COCC1CCC(Nc2cccc(C)c2)CC1 ZINC000295002921 174118797 /nfs/dbraw/zinc/11/87/97/174118797.db2.gz YTISFZBXGICMFP-UHFFFAOYSA-N 0 0 233.355 3.612 20 0 BHADRN C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)C1CCC1 ZINC000295002999 175931454 /nfs/dbraw/zinc/93/14/54/175931454.db2.gz MCOSQUJUZGETOC-DOMZBBRYSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)C1CCC1 ZINC000295003001 175931583 /nfs/dbraw/zinc/93/15/83/175931583.db2.gz MCOSQUJUZGETOC-IUODEOHRSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)C1CCC1 ZINC000295003003 176934510 /nfs/dbraw/zinc/93/45/10/176934510.db2.gz MCOSQUJUZGETOC-SWLSCSKDSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@H](Nc1ccc([C@H]2CCOC2)cc1)C1CCC1 ZINC000295003005 385941706 /nfs/dbraw/zinc/94/17/06/385941706.db2.gz MCOSQUJUZGETOC-WFASDCNBSA-N 0 0 245.366 3.791 20 0 BHADRN CC/C(C)=C/C(=O)NC(C)(C)c1cccc(F)c1 ZINC000295012524 385945244 /nfs/dbraw/zinc/94/52/44/385945244.db2.gz PZFOUNWKXKRULD-PKNBQFBNSA-N 0 0 249.329 3.533 20 0 BHADRN CC(C)Oc1cccc(NC[C@@H]2CCC=CO2)c1 ZINC000295019055 167306340 /nfs/dbraw/zinc/30/63/40/167306340.db2.gz NARNFXUFVVNPMQ-HNNXBMFYSA-N 0 0 247.338 3.578 20 0 BHADRN CC(C)Oc1cccc(NC[C@H]2CCC=CO2)c1 ZINC000295019057 167307057 /nfs/dbraw/zinc/30/70/57/167307057.db2.gz NARNFXUFVVNPMQ-OAHLLOKOSA-N 0 0 247.338 3.578 20 0 BHADRN CCC[C@H](C)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000295026569 385948567 /nfs/dbraw/zinc/94/85/67/385948567.db2.gz OCGMMMOVCCPOLH-GXTWGEPZSA-N 0 0 233.355 3.791 20 0 BHADRN CCC[C@H](C)Nc1ccc([C@H]2CCOC2)cc1 ZINC000295026571 385948114 /nfs/dbraw/zinc/94/81/14/385948114.db2.gz OCGMMMOVCCPOLH-JSGCOSHPSA-N 0 0 233.355 3.791 20 0 BHADRN CCC[C@@H](C)Nc1ccc([C@H]2CCOC2)cc1 ZINC000295026573 169372105 /nfs/dbraw/zinc/37/21/05/169372105.db2.gz OCGMMMOVCCPOLH-OCCSQVGLSA-N 0 0 233.355 3.791 20 0 BHADRN CCC[C@@H](C)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000295026575 169372618 /nfs/dbraw/zinc/37/26/18/169372618.db2.gz OCGMMMOVCCPOLH-TZMCWYRMSA-N 0 0 233.355 3.791 20 0 BHADRN C[C@@H](Nc1ncccn1)c1cccc(C2CC2)c1 ZINC000295030143 385947053 /nfs/dbraw/zinc/94/70/53/385947053.db2.gz VVMHZUFLRIHDBE-LLVKDONJSA-N 0 0 239.322 3.527 20 0 BHADRN C[C@H](Nc1ncccn1)c1cccc(C2CC2)c1 ZINC000295030145 385948772 /nfs/dbraw/zinc/94/87/72/385948772.db2.gz VVMHZUFLRIHDBE-NSHDSACASA-N 0 0 239.322 3.527 20 0 BHADRN Cc1ccoc1CNc1ccccc1OCCF ZINC000295037977 385951018 /nfs/dbraw/zinc/95/10/18/385951018.db2.gz DSIIILOCDDNGMF-UHFFFAOYSA-N 0 0 249.285 3.548 20 0 BHADRN C1=C[C@H](SC2=NCCS2)CCCCC1 ZINC000295048781 187525282 /nfs/dbraw/zinc/52/52/82/187525282.db2.gz XMZRFHGIXPDCIG-JTQLQIEISA-N 0 0 227.398 3.711 20 0 BHADRN C1=C[C@@H](SC2=NCCS2)CCCCC1 ZINC000295048785 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169414961 /nfs/dbraw/zinc/41/49/61/169414961.db2.gz FUWHUBPZNWSRFE-LLVKDONJSA-N 0 0 238.331 3.761 20 0 BHADRN CCC[C@H](OC)c1noc(C=C(CC)CC)n1 ZINC000296320862 386160889 /nfs/dbraw/zinc/16/08/89/386160889.db2.gz FUWHUBPZNWSRFE-NSHDSACASA-N 0 0 238.331 3.761 20 0 BHADRN Cc1cc(Cl)c(NC(=O)C2CCC2)cc1C ZINC000296325193 178061218 /nfs/dbraw/zinc/06/12/18/178061218.db2.gz ZISOVDBEADDDMA-UHFFFAOYSA-N 0 0 237.730 3.695 20 0 BHADRN Cc1cccc(NC(=O)NC2(C(C)C)CC2)c1C ZINC000296325830 179133935 /nfs/dbraw/zinc/13/39/35/179133935.db2.gz XRRAKUFWNBGHCO-UHFFFAOYSA-N 0 0 246.354 3.614 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1nnc(C(F)F)o1 ZINC000296337905 188040406 /nfs/dbraw/zinc/04/04/06/188040406.db2.gz PZEFTOUYMHICNU-MRVPVSSYSA-N 0 0 245.273 3.554 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1nnc(C(F)F)o1 ZINC000296337909 188394899 /nfs/dbraw/zinc/39/48/99/188394899.db2.gz PZEFTOUYMHICNU-QMMMGPOBSA-N 0 0 245.273 3.554 20 0 BHADRN CCC(=Cc1nc(C2CC(F)(F)C2)no1)CC ZINC000296363488 168197443 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CCn1ccnc1[C@H](C)Nc1cccc(F)c1C ZINC000296570455 172229158 /nfs/dbraw/zinc/22/91/58/172229158.db2.gz VBFRJTAVACPBDF-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCc1ccccc1NC(=O)NC1(C(C)C)CC1 ZINC000296614642 171885006 /nfs/dbraw/zinc/88/50/06/171885006.db2.gz PRBBJLHILXOOCN-UHFFFAOYSA-N 0 0 246.354 3.559 20 0 BHADRN Cc1sccc1C(=O)NC1CCC2(CC2)CC1 ZINC000296630060 180561720 /nfs/dbraw/zinc/56/17/20/180561720.db2.gz HSNQACKIDRIAEP-UHFFFAOYSA-N 0 0 249.379 3.509 20 0 BHADRN CC/C=C/CN[C@@H](C)c1csc(C(C)C)n1 ZINC000296630465 398140252 /nfs/dbraw/zinc/14/02/52/398140252.db2.gz XJGAYOASZMXQGV-MLRMMBSGSA-N 0 0 238.400 3.883 20 0 BHADRN CC/C=C/CN[C@H](C)c1csc(C(C)C)n1 ZINC000296630469 398139869 /nfs/dbraw/zinc/13/98/69/398139869.db2.gz XJGAYOASZMXQGV-XUIVZRPNSA-N 0 0 238.400 3.883 20 0 BHADRN CCn1ccnc1[C@@H](C)Nc1ccc(C)cc1F ZINC000296646521 172229081 /nfs/dbraw/zinc/22/90/81/172229081.db2.gz DEHXDVNVIWLBLA-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1ccnc1[C@H](C)Nc1ccc(C)cc1F ZINC000296646523 172229151 /nfs/dbraw/zinc/22/91/51/172229151.db2.gz DEHXDVNVIWLBLA-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCn1ccnc1[C@@H](C)Nc1cc(C)ccc1F ZINC000296654186 172229830 /nfs/dbraw/zinc/22/98/30/172229830.db2.gz DQVJEEPEBLWEIK-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1ccnc1[C@H](C)Nc1cc(C)ccc1F ZINC000296654188 172230076 /nfs/dbraw/zinc/23/00/76/172230076.db2.gz DQVJEEPEBLWEIK-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCn1ccnc1[C@@H](C)Nc1cc(C)ccc1C ZINC000296677820 172230066 /nfs/dbraw/zinc/23/00/66/172230066.db2.gz GIKAGWWTTVDTIK-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1ccnc1[C@H](C)Nc1cc(C)ccc1C ZINC000296677824 172230100 /nfs/dbraw/zinc/23/01/00/172230100.db2.gz GIKAGWWTTVDTIK-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN COCC1CCC(Nc2cscc2C)CC1 ZINC000296692491 174118628 /nfs/dbraw/zinc/11/86/28/174118628.db2.gz HEIMUIAOCLDFIC-UHFFFAOYSA-N 0 0 239.384 3.674 20 0 BHADRN CC(C)(O)c1ccc(CNc2ccccc2)cc1 ZINC000296733351 364784976 /nfs/dbraw/zinc/78/49/76/364784976.db2.gz OEHWPYXVYAYBQV-UHFFFAOYSA-N 0 0 241.334 3.526 20 0 BHADRN C/C=C/C=C/C(=O)Nc1cccc(OC(C)C)c1 ZINC000296744416 188040230 /nfs/dbraw/zinc/04/02/30/188040230.db2.gz BQMQIQMWPIZOOQ-UMCKCUICSA-N 0 0 245.322 3.545 20 0 BHADRN CC(C)Oc1cccc(NC(=O)C=C2CCC2)c1 ZINC000296754194 167305961 /nfs/dbraw/zinc/30/59/61/167305961.db2.gz CENWTDIYAHSSCN-UHFFFAOYSA-N 0 0 245.322 3.523 20 0 BHADRN CC/C(C)=C/c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000296756875 386200453 /nfs/dbraw/zinc/20/04/53/386200453.db2.gz JYAJRMAOXNOHKP-BNICOGTQSA-N 0 0 242.269 3.786 20 0 BHADRN CC/C(C)=C/c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000296756883 386200301 /nfs/dbraw/zinc/20/03/01/386200301.db2.gz JYAJRMAOXNOHKP-ORZBULNSSA-N 0 0 242.269 3.786 20 0 BHADRN CCc1ccccc1N[C@H](C)c1nccn1CC ZINC000296781426 171889297 /nfs/dbraw/zinc/88/92/97/171889297.db2.gz KUGUTAHACRIWDQ-GFCCVEGCSA-N 0 0 243.354 3.639 20 0 BHADRN Cc1cc(CNc2cn(C)nc2C(C)C)cs1 ZINC000296796836 178044478 /nfs/dbraw/zinc/04/44/78/178044478.db2.gz MJOFGLFYVJJIDJ-UHFFFAOYSA-N 0 0 249.383 3.526 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc2cnccc2c1 ZINC000296822160 169353008 /nfs/dbraw/zinc/35/30/08/169353008.db2.gz CVTYLJRKQFDJDD-LLVKDONJSA-N 0 0 242.322 3.610 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc2cnccc2c1 ZINC000296822165 169474758 /nfs/dbraw/zinc/47/47/58/169474758.db2.gz CVTYLJRKQFDJDD-NSHDSACASA-N 0 0 242.322 3.610 20 0 BHADRN CCn1ccnc1[C@@H](C)Nc1cccc(C)c1C ZINC000296890432 172229246 /nfs/dbraw/zinc/22/92/46/172229246.db2.gz ONKDMWCNTOUNMO-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1ccnc1[C@H](C)Nc1cccc(C)c1C ZINC000296890436 172228931 /nfs/dbraw/zinc/22/89/31/172228931.db2.gz ONKDMWCNTOUNMO-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN Cc1cccc(CNc2ccn(C(C)C)n2)c1F ZINC000296912456 179102645 /nfs/dbraw/zinc/10/26/45/179102645.db2.gz RLFIMKWBMZXHOQ-UHFFFAOYSA-N 0 0 247.317 3.524 20 0 BHADRN Cc1cscc1N[C@@H]1CCOC2(CCC2)C1 ZINC000296929486 388426803 /nfs/dbraw/zinc/42/68/03/388426803.db2.gz PYIGMJITCCBXHI-LLVKDONJSA-N 0 0 237.368 3.570 20 0 BHADRN Cc1cscc1N[C@H]1CCOC2(CCC2)C1 ZINC000296929490 388426177 /nfs/dbraw/zinc/42/61/77/388426177.db2.gz PYIGMJITCCBXHI-NSHDSACASA-N 0 0 237.368 3.570 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc2cnccc2c1 ZINC000296957953 386215577 /nfs/dbraw/zinc/21/55/77/386215577.db2.gz NQWRVOSGAMUZDH-LLVKDONJSA-N 0 0 242.322 3.610 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc2cnccc2c1 ZINC000296957958 171262550 /nfs/dbraw/zinc/26/25/50/171262550.db2.gz NQWRVOSGAMUZDH-NSHDSACASA-N 0 0 242.322 3.610 20 0 BHADRN CCn1ccnc1[C@@H](C)Nc1ccc(C)cc1C ZINC000296960817 172229492 /nfs/dbraw/zinc/22/94/92/172229492.db2.gz RDLVJUVTXCZOLM-CYBMUJFWSA-N 0 0 243.354 3.693 20 0 BHADRN CCn1ccnc1[C@H](C)Nc1ccc(C)cc1C ZINC000296960825 172229255 /nfs/dbraw/zinc/22/92/55/172229255.db2.gz RDLVJUVTXCZOLM-ZDUSSCGKSA-N 0 0 243.354 3.693 20 0 BHADRN CCC(CC)C(=O)Nc1ccc2cnccc2c1 ZINC000296962034 168340949 /nfs/dbraw/zinc/34/09/49/168340949.db2.gz NZBCUURRKLHNDD-UHFFFAOYSA-N 0 0 242.322 3.610 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cc(OC)c(C)cc1C ZINC000296972000 386215355 /nfs/dbraw/zinc/21/53/55/386215355.db2.gz IFGZEMACEZHMAX-JXMROGBWSA-N 0 0 247.338 3.607 20 0 BHADRN CCn1ccnc1[C@@H](C)Nc1ccc(F)cc1C ZINC000296973744 172228908 /nfs/dbraw/zinc/22/89/08/172228908.db2.gz RSAFQPCLJMAICU-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1ccnc1[C@H](C)Nc1ccc(F)cc1C ZINC000296973746 172229154 /nfs/dbraw/zinc/22/91/54/172229154.db2.gz RSAFQPCLJMAICU-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN CCc1cccc(N[C@H](C)c2nccn2CC)c1 ZINC000296976649 171863276 /nfs/dbraw/zinc/86/32/76/171863276.db2.gz RSVGZHRXXPXZAS-GFCCVEGCSA-N 0 0 243.354 3.639 20 0 BHADRN CCc1cccc(N[C@@H](C)c2nccn2CC)c1 ZINC000296976651 386215871 /nfs/dbraw/zinc/21/58/71/386215871.db2.gz RSVGZHRXXPXZAS-LBPRGKRZSA-N 0 0 243.354 3.639 20 0 BHADRN CC(C)CCC(=O)Nc1ccc2cnccc2c1 ZINC000297010500 386218844 /nfs/dbraw/zinc/21/88/44/386218844.db2.gz RONABGUKRNYKGI-UHFFFAOYSA-N 0 0 242.322 3.610 20 0 BHADRN CCS[C@H](C)c1noc(/C=C(\C)CC)n1 ZINC000297070533 386223620 /nfs/dbraw/zinc/22/36/20/386223620.db2.gz 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BHADRN CCc1ccc(N[C@@H](C)c2nccn2CC)cc1 ZINC000297112400 386225395 /nfs/dbraw/zinc/22/53/95/386225395.db2.gz YCKBOPIKGHXFCD-LBPRGKRZSA-N 0 0 243.354 3.639 20 0 BHADRN CCn1ccnc1[C@H](C)Nc1cccc(Cl)c1 ZINC000297142538 172229977 /nfs/dbraw/zinc/22/99/77/172229977.db2.gz ZNSOZBBKWNBCFJ-JTQLQIEISA-N 0 0 249.745 3.730 20 0 BHADRN CCn1ccnc1[C@@H](C)Nc1cccc(Cl)c1 ZINC000297142539 172229898 /nfs/dbraw/zinc/22/98/98/172229898.db2.gz ZNSOZBBKWNBCFJ-SNVBAGLBSA-N 0 0 249.745 3.730 20 0 BHADRN Cc1cc2ccccc2c(NCCCCCO)c1 ZINC000297150256 178158043 /nfs/dbraw/zinc/15/80/43/178158043.db2.gz ZXQXZGNMRICQTP-UHFFFAOYSA-N 0 0 243.350 3.723 20 0 BHADRN CCCC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297186183 386231218 /nfs/dbraw/zinc/23/12/18/386231218.db2.gz KPELVSBZJRIOOO-CABCVRRESA-N 0 0 245.366 3.581 20 0 BHADRN CCCC(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297186184 386230711 /nfs/dbraw/zinc/23/07/11/386230711.db2.gz KPELVSBZJRIOOO-GJZGRUSLSA-N 0 0 245.366 3.581 20 0 BHADRN CCCC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297186188 386229954 /nfs/dbraw/zinc/22/99/54/386229954.db2.gz KPELVSBZJRIOOO-HUUCEWRRSA-N 0 0 245.366 3.581 20 0 BHADRN CCCC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297186192 386231471 /nfs/dbraw/zinc/23/14/71/386231471.db2.gz KPELVSBZJRIOOO-LSDHHAIUSA-N 0 0 245.366 3.581 20 0 BHADRN C[C@@H](Nc1cccc(C2CCC2)c1)c1cn[nH]c1 ZINC000297186644 386231039 /nfs/dbraw/zinc/23/10/39/386231039.db2.gz FDTRCUVVOCTBBF-LLVKDONJSA-N 0 0 241.338 3.850 20 0 BHADRN C[C@H](Nc1cccc(C2CCC2)c1)c1cn[nH]c1 ZINC000297186648 386231693 /nfs/dbraw/zinc/23/16/93/386231693.db2.gz FDTRCUVVOCTBBF-NSHDSACASA-N 0 0 241.338 3.850 20 0 BHADRN Cc1cc([C@@H](C)N[C@H](C)C(F)(F)F)cs1 ZINC000297250614 178232225 /nfs/dbraw/zinc/23/22/25/178232225.db2.gz JGSWZJIKQBEJEB-HTQZYQBOSA-N 0 0 237.290 3.658 20 0 BHADRN Cc1cc([C@H](C)N[C@H](C)C(F)(F)F)cs1 ZINC000297250615 178256379 /nfs/dbraw/zinc/25/63/79/178256379.db2.gz JGSWZJIKQBEJEB-JGVFFNPUSA-N 0 0 237.290 3.658 20 0 BHADRN Cc1cc([C@@H](C)N[C@@H](C)C(F)(F)F)cs1 ZINC000297250617 178229360 /nfs/dbraw/zinc/22/93/60/178229360.db2.gz JGSWZJIKQBEJEB-SFYZADRCSA-N 0 0 237.290 3.658 20 0 BHADRN Cc1cc([C@H](C)N[C@@H](C)C(F)(F)F)cs1 ZINC000297250619 178251638 /nfs/dbraw/zinc/25/16/38/178251638.db2.gz JGSWZJIKQBEJEB-YUMQZZPRSA-N 0 0 237.290 3.658 20 0 BHADRN CC[C@H](N[C@H](C)C(F)(F)F)c1ccsc1 ZINC000297414583 171543815 /nfs/dbraw/zinc/54/38/15/171543815.db2.gz UFTFSTOMOSAFHE-APPZFPTMSA-N 0 0 237.290 3.740 20 0 BHADRN CC[C@H](N[C@@H](C)C(F)(F)F)c1ccsc1 ZINC000297414594 384288482 /nfs/dbraw/zinc/28/84/82/384288482.db2.gz UFTFSTOMOSAFHE-CBAPKCEASA-N 0 0 237.290 3.740 20 0 BHADRN CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccsc1 ZINC000297414605 170906951 /nfs/dbraw/zinc/90/69/51/170906951.db2.gz UFTFSTOMOSAFHE-IONNQARKSA-N 0 0 237.290 3.740 20 0 BHADRN CC[C@@H](N[C@H](C)C(F)(F)F)c1ccsc1 ZINC000297414613 344006231 /nfs/dbraw/zinc/00/62/31/344006231.db2.gz UFTFSTOMOSAFHE-VXNVDRBHSA-N 0 0 237.290 3.740 20 0 BHADRN C[C@@H](Nc1ccccc1OCCF)c1ccco1 ZINC000297417814 386255048 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238.356 3.561 20 0 BHADRN CSc1ccccc1OC(=O)[C@@H](C)C(C)C ZINC000297856399 398147511 /nfs/dbraw/zinc/14/75/11/398147511.db2.gz YCALQHFHTWRDAD-JTQLQIEISA-N 0 0 238.352 3.606 20 0 BHADRN CSc1ccccc1OC(=O)[C@H](C)C(C)C ZINC000297856404 398147543 /nfs/dbraw/zinc/14/75/43/398147543.db2.gz YCALQHFHTWRDAD-SNVBAGLBSA-N 0 0 238.352 3.606 20 0 BHADRN CC(C)C(=O)N(C(C)C)[C@H](C)c1ccccc1 ZINC000297864385 386283317 /nfs/dbraw/zinc/28/33/17/386283317.db2.gz NUGUWEIKPSHQER-CYBMUJFWSA-N 0 0 233.355 3.641 20 0 BHADRN CC(C)C(=O)N(C(C)C)[C@@H](C)c1ccccc1 ZINC000297864387 386284992 /nfs/dbraw/zinc/28/49/92/386284992.db2.gz NUGUWEIKPSHQER-ZDUSSCGKSA-N 0 0 233.355 3.641 20 0 BHADRN CC(C)N(C(=O)CC1CC1)[C@H](C)c1ccccc1 ZINC000297936326 411483065 /nfs/dbraw/zinc/48/30/65/411483065.db2.gz SOXJNQJTEXQAEQ-CYBMUJFWSA-N 0 0 245.366 3.785 20 0 BHADRN CC(C)N(C(=O)CC1CC1)[C@@H](C)c1ccccc1 ZINC000297936331 411483070 /nfs/dbraw/zinc/48/30/70/411483070.db2.gz SOXJNQJTEXQAEQ-ZDUSSCGKSA-N 0 0 245.366 3.785 20 0 BHADRN CCCC(CCC)C(=O)N(C)c1ccnc(C)c1 ZINC000297957235 386288531 /nfs/dbraw/zinc/28/85/31/386288531.db2.gz PFTBYLUULUYMMJ-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN C/C=C(\C)C(=O)N(C(C)C)[C@@H](C)c1ccccc1 ZINC000297982026 188215253 /nfs/dbraw/zinc/21/52/53/188215253.db2.gz WSITWYBMQPTDQQ-BLXFFLACSA-N 0 0 245.366 3.951 20 0 BHADRN C/C=C(\C)C(=O)N(C(C)C)[C@H](C)c1ccccc1 ZINC000297982030 386288361 /nfs/dbraw/zinc/28/83/61/386288361.db2.gz WSITWYBMQPTDQQ-YGLIYXGISA-N 0 0 245.366 3.951 20 0 BHADRN CC(C)N(C(=O)C1CCC1)[C@H](C)c1ccccc1 ZINC000298017679 386292020 /nfs/dbraw/zinc/29/20/20/386292020.db2.gz ZZCJQNPVSIULIF-CYBMUJFWSA-N 0 0 245.366 3.785 20 0 BHADRN CC(C)N(C(=O)C1CCC1)[C@@H](C)c1ccccc1 ZINC000298017683 386292946 /nfs/dbraw/zinc/29/29/46/386292946.db2.gz ZZCJQNPVSIULIF-ZDUSSCGKSA-N 0 0 245.366 3.785 20 0 BHADRN Cc1cc(CNc2ccc(C(C)(C)C)cc2)on1 ZINC000298061560 178043760 /nfs/dbraw/zinc/04/37/60/178043760.db2.gz BLZTTYDPWUDPPF-UHFFFAOYSA-N 0 0 244.338 3.893 20 0 BHADRN Cc1cc(CNc2cc(Cl)ccc2C)on1 ZINC000298067927 178041379 /nfs/dbraw/zinc/04/13/79/178041379.db2.gz GBXUHJPVFXBQNA-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1cc(CNc2cccc(Cl)c2C)on1 ZINC000298083775 178042816 /nfs/dbraw/zinc/04/28/16/178042816.db2.gz NGOJSGOJOGLBKC-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1cc(CNc2ccc(C)cc2Cl)on1 ZINC000298089934 388433772 /nfs/dbraw/zinc/43/37/72/388433772.db2.gz RHYMTYQAEZXTNG-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1cc(CNc2ccc(C(C)C)cc2)on1 ZINC000298091535 178043756 /nfs/dbraw/zinc/04/37/56/178043756.db2.gz RSQNIJQWCTVRMT-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN Cc1cc(CNc2ccc(C)c(Cl)c2)on1 ZINC000298095284 178042621 /nfs/dbraw/zinc/04/26/21/178042621.db2.gz UXIBPZPDYKSUTH-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1ccc(SCc2nc(C(C)C)no2)cc1 ZINC000298108209 187352234 /nfs/dbraw/zinc/35/22/34/187352234.db2.gz WVEQUJPGKPMRBL-UHFFFAOYSA-N 0 0 248.351 3.794 20 0 BHADRN c1ccc([C@H](Nc2ccccn2)C2CC2)cc1 ZINC000298116930 386298086 /nfs/dbraw/zinc/29/80/86/386298086.db2.gz 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BHADRN CC(C)[C@H](C)SC[C@H](O)c1ccc(F)cc1 ZINC000298198143 188215333 /nfs/dbraw/zinc/21/53/33/188215333.db2.gz FUSYBHHOCHTOBA-GWCFXTLKSA-N 0 0 242.359 3.637 20 0 BHADRN CC(C)[C@@H](C)SC[C@H](O)c1ccc(F)cc1 ZINC000298198146 167388171 /nfs/dbraw/zinc/38/81/71/167388171.db2.gz FUSYBHHOCHTOBA-MFKMUULPSA-N 0 0 242.359 3.637 20 0 BHADRN COc1cccc(SCCC(F)(F)F)c1 ZINC000298203290 188573037 /nfs/dbraw/zinc/57/30/37/188573037.db2.gz KAEFLDWDZPDGAX-UHFFFAOYSA-N 0 0 236.258 3.740 20 0 BHADRN CC(C)CSCc1csc(Cl)n1 ZINC000298213553 188040448 /nfs/dbraw/zinc/04/04/48/188040448.db2.gz GTSDJIOYTDGXCV-UHFFFAOYSA-N 0 0 221.778 3.686 20 0 BHADRN O[C@H](CSCC1CC1)c1ccc(Cl)cc1 ZINC000298258527 183226989 /nfs/dbraw/zinc/22/69/89/183226989.db2.gz OBXAAIVGIJFSAC-GFCCVEGCSA-N 0 0 242.771 3.517 20 0 BHADRN O[C@@H](CSCC1CC1)c1ccc(Cl)cc1 ZINC000298258528 183183291 /nfs/dbraw/zinc/18/32/91/183183291.db2.gz OBXAAIVGIJFSAC-LBPRGKRZSA-N 0 0 242.771 3.517 20 0 BHADRN CC[C@H](C)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000298271017 171246702 /nfs/dbraw/zinc/24/67/02/171246702.db2.gz BNSWXZCPOJDSIC-AAEUAGOBSA-N 0 0 233.355 3.561 20 0 BHADRN CC[C@@H](C)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000298271022 386317179 /nfs/dbraw/zinc/31/71/79/386317179.db2.gz BNSWXZCPOJDSIC-DGCLKSJQSA-N 0 0 233.355 3.561 20 0 BHADRN CC[C@H](C)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000298271026 171246197 /nfs/dbraw/zinc/24/61/97/171246197.db2.gz BNSWXZCPOJDSIC-WCQYABFASA-N 0 0 233.355 3.561 20 0 BHADRN CC[C@@H](C)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000298271029 386317947 /nfs/dbraw/zinc/31/79/47/386317947.db2.gz BNSWXZCPOJDSIC-YPMHNXCESA-N 0 0 233.355 3.561 20 0 BHADRN CC(C)c1ccc(CN(C)C(=O)CC2CC2)cc1 ZINC000298271443 386317753 /nfs/dbraw/zinc/31/77/53/386317753.db2.gz DACUSCRWOGYAIE-UHFFFAOYSA-N 0 0 245.366 3.569 20 0 BHADRN CC(C)c1ccccc1OC(=O)CC1CC1 ZINC000298273311 386317733 /nfs/dbraw/zinc/31/77/33/386317733.db2.gz DKNSMULVCYDZPH-UHFFFAOYSA-N 0 0 218.296 3.516 20 0 BHADRN CCCCN(C(=O)Nc1cccc(C)c1)C1CC1 ZINC000298273411 386317965 /nfs/dbraw/zinc/31/79/65/386317965.db2.gz DUXONIZMHQHIQM-UHFFFAOYSA-N 0 0 246.354 3.791 20 0 BHADRN CC(C)=CC(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000298274614 187701315 /nfs/dbraw/zinc/70/13/15/187701315.db2.gz CEBMVRDBAMRLQC-UHFFFAOYSA-N 0 0 249.329 3.529 20 0 BHADRN CN(C(=O)CC1CC1)c1ccc2ccccc2c1 ZINC000298275001 172302144 /nfs/dbraw/zinc/30/21/44/172302144.db2.gz FNHVZWNZDXHCPH-UHFFFAOYSA-N 0 0 239.318 3.603 20 0 BHADRN Cc1cccc(NC(=O)N(CC(C)C)C2CC2)c1 ZINC000298278303 179131268 /nfs/dbraw/zinc/13/12/68/179131268.db2.gz PTIZOGKWAAQEKT-UHFFFAOYSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@H](C)C(C)C)cc1 ZINC000298279630 386317790 /nfs/dbraw/zinc/31/77/90/386317790.db2.gz QTYKBMYINZZZKU-GFCCVEGCSA-N 0 0 234.343 3.503 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@@H](C)C(C)C)cc1 ZINC000298279634 386317430 /nfs/dbraw/zinc/31/74/30/386317430.db2.gz QTYKBMYINZZZKU-LBPRGKRZSA-N 0 0 234.343 3.503 20 0 BHADRN CCCN(CC)C(=O)c1ccc2ccccc2c1 ZINC000298281726 169119554 /nfs/dbraw/zinc/11/95/54/169119554.db2.gz FFOUQUHPIFWVSX-UHFFFAOYSA-N 0 0 241.334 3.712 20 0 BHADRN CCCN(CC)C(=O)c1oc2ccccc2c1C ZINC000298292843 169120801 /nfs/dbraw/zinc/12/08/01/169120801.db2.gz HSMOURSPRATQQH-UHFFFAOYSA-N 0 0 245.322 3.613 20 0 BHADRN CC[C@@H](c1ccccc1)N(CC)C(=O)CC1CC1 ZINC000298297203 352498633 /nfs/dbraw/zinc/49/86/33/352498633.db2.gz AUTJPOFBHGITKR-HNNXBMFYSA-N 0 0 245.366 3.786 20 0 BHADRN CC[C@H](c1ccccc1)N(CC)C(=O)CC1CC1 ZINC000298297206 171598752 /nfs/dbraw/zinc/59/87/52/171598752.db2.gz AUTJPOFBHGITKR-OAHLLOKOSA-N 0 0 245.366 3.786 20 0 BHADRN CCCC(=O)N(C)[C@H](C)c1ccc(C)cc1C ZINC000298297674 386319533 /nfs/dbraw/zinc/31/95/33/386319533.db2.gz IJQMKBMMNMRFFP-CYBMUJFWSA-N 0 0 233.355 3.623 20 0 BHADRN CCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1C ZINC000298297681 386319909 /nfs/dbraw/zinc/31/99/09/386319909.db2.gz IJQMKBMMNMRFFP-ZDUSSCGKSA-N 0 0 233.355 3.623 20 0 BHADRN Cc1ccc([C@@H](C)N(C)C(=O)CC2CC2)c(C)c1 ZINC000298300366 386319397 /nfs/dbraw/zinc/31/93/97/386319397.db2.gz BESIYIDDVXIPLE-CYBMUJFWSA-N 0 0 245.366 3.623 20 0 BHADRN Cc1ccc([C@H](C)N(C)C(=O)CC2CC2)c(C)c1 ZINC000298300373 386320033 /nfs/dbraw/zinc/32/00/33/386320033.db2.gz BESIYIDDVXIPLE-ZDUSSCGKSA-N 0 0 245.366 3.623 20 0 BHADRN CCN(C(=O)CC(C)C)c1ccccc1Cl ZINC000298304862 386322819 /nfs/dbraw/zinc/32/28/19/386322819.db2.gz BKIQMJKGVLLMPC-UHFFFAOYSA-N 0 0 239.746 3.739 20 0 BHADRN CC(C)CCN(C(=O)c1ccoc1)C1CCCC1 ZINC000298308063 166830710 /nfs/dbraw/zinc/83/07/10/166830710.db2.gz BZSUAVDHYWWTBM-UHFFFAOYSA-N 0 0 249.354 3.711 20 0 BHADRN FC(F)(F)CCSc1ccc(Cl)cn1 ZINC000298310404 386323502 /nfs/dbraw/zinc/32/35/02/386323502.db2.gz NSFKBTYCMZQWGI-UHFFFAOYSA-N 0 0 241.665 3.780 20 0 BHADRN Cc1noc([C@H](C)Oc2cccc(C(C)C)c2)n1 ZINC000298310629 180500662 /nfs/dbraw/zinc/50/06/62/180500662.db2.gz OEYMKJATRPLOKS-JTQLQIEISA-N 0 0 246.310 3.641 20 0 BHADRN Cc1noc([C@@H](C)Oc2cccc(C(C)C)c2)n1 ZINC000298310632 386323047 /nfs/dbraw/zinc/32/30/47/386323047.db2.gz OEYMKJATRPLOKS-SNVBAGLBSA-N 0 0 246.310 3.641 20 0 BHADRN CC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000298313131 187527300 /nfs/dbraw/zinc/52/73/00/187527300.db2.gz CUGSHIYPFZMNRW-SSDOTTSWSA-N 0 0 246.137 3.533 20 0 BHADRN CC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000298313135 187701354 /nfs/dbraw/zinc/70/13/54/187701354.db2.gz CUGSHIYPFZMNRW-ZETCQYMHSA-N 0 0 246.137 3.533 20 0 BHADRN Cc1ccoc1C(=O)N(CC(C)C)C1CCCC1 ZINC000298319692 386323255 /nfs/dbraw/zinc/32/32/55/386323255.db2.gz FDCSVZQWGDXSJZ-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN CC(C)=CC(=O)N(Cc1ccccc1F)C(C)C ZINC000298322055 188396146 /nfs/dbraw/zinc/39/61/46/188396146.db2.gz FSCNMJATWQRUOQ-UHFFFAOYSA-N 0 0 249.329 3.529 20 0 BHADRN Cc1ccc(C(=O)N([C@H](C)C(C)C)C2CC2)cc1 ZINC000298327724 178380777 /nfs/dbraw/zinc/38/07/77/178380777.db2.gz VRTPWOHSTOAHAQ-CYBMUJFWSA-N 0 0 245.366 3.644 20 0 BHADRN Cc1ccc(C(=O)N([C@@H](C)C(C)C)C2CC2)cc1 ZINC000298327726 178381148 /nfs/dbraw/zinc/38/11/48/178381148.db2.gz VRTPWOHSTOAHAQ-ZDUSSCGKSA-N 0 0 245.366 3.644 20 0 BHADRN CC[C@H](C)C(=O)N(CC)c1ccccc1Cl ZINC000298328318 171247066 /nfs/dbraw/zinc/24/70/66/171247066.db2.gz HBVGGRWIKQVXQS-JTQLQIEISA-N 0 0 239.746 3.739 20 0 BHADRN CC[C@@H](C)C(=O)N(CC)c1ccccc1Cl ZINC000298328319 386326423 /nfs/dbraw/zinc/32/64/23/386326423.db2.gz HBVGGRWIKQVXQS-SNVBAGLBSA-N 0 0 239.746 3.739 20 0 BHADRN C/C=C/C=C/C(=O)N[C@H](C)c1cc(C)sc1C ZINC000298334535 188395838 /nfs/dbraw/zinc/39/58/38/188395838.db2.gz GFBRTDYAFGXTSR-NDFPEFBHSA-N 0 0 249.379 3.674 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000298334540 188040111 /nfs/dbraw/zinc/04/01/11/188040111.db2.gz GFBRTDYAFGXTSR-NVNCAAMDSA-N 0 0 249.379 3.674 20 0 BHADRN Cc1ccccc1[C@@H](C)N(C)C(=O)C1CCCC1 ZINC000298334825 179317248 /nfs/dbraw/zinc/31/72/48/179317248.db2.gz NMYLDSMOPWCTMJ-CYBMUJFWSA-N 0 0 245.366 3.705 20 0 BHADRN Cc1ccccc1[C@H](C)N(C)C(=O)C1CCCC1 ZINC000298334834 179334627 /nfs/dbraw/zinc/33/46/27/179334627.db2.gz NMYLDSMOPWCTMJ-ZDUSSCGKSA-N 0 0 245.366 3.705 20 0 BHADRN CCCN(CC(C)C)C(=O)c1ccc(C)s1 ZINC000298336149 169105146 /nfs/dbraw/zinc/10/51/46/169105146.db2.gz NNRWLYKXAJPPOS-UHFFFAOYSA-N 0 0 239.384 3.565 20 0 BHADRN CCC1CCC(N(C)C(=O)c2occc2C)CC1 ZINC000298336645 386325486 /nfs/dbraw/zinc/32/54/86/386325486.db2.gz CTOHDBXQYOCMHV-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)c(C)o1 ZINC000298338768 386326452 /nfs/dbraw/zinc/32/64/52/386326452.db2.gz ZLUGKZPGSYSQCA-LLVKDONJSA-N 0 0 249.354 3.546 20 0 BHADRN Cc1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)c(C)o1 ZINC000298338771 386326017 /nfs/dbraw/zinc/32/60/17/386326017.db2.gz ZLUGKZPGSYSQCA-NSHDSACASA-N 0 0 249.354 3.546 20 0 BHADRN CCCCN(C(=O)c1ccco1)C1CCCCC1 ZINC000298339650 386327202 /nfs/dbraw/zinc/32/72/02/386327202.db2.gz JDYKRPZRMDUHNG-UHFFFAOYSA-N 0 0 249.354 3.855 20 0 BHADRN CC[C@@H](C)N(Cc1ccccc1)C(=O)CC1CC1 ZINC000298340183 386328516 /nfs/dbraw/zinc/32/85/16/386328516.db2.gz KJFJWCPXEKWOSY-CYBMUJFWSA-N 0 0 245.366 3.614 20 0 BHADRN CC[C@H](C)N(Cc1ccccc1)C(=O)CC1CC1 ZINC000298340186 171315782 /nfs/dbraw/zinc/31/57/82/171315782.db2.gz KJFJWCPXEKWOSY-ZDUSSCGKSA-N 0 0 245.366 3.614 20 0 BHADRN CC(C)N(Cc1ccco1)C(=O)C1CCCCC1 ZINC000298340691 188396009 /nfs/dbraw/zinc/39/60/09/188396009.db2.gz CCLMFYMLXJHGTR-UHFFFAOYSA-N 0 0 249.354 3.597 20 0 BHADRN Cc1cccc(C(C)C)c1NC(=O)CC1CC1 ZINC000298342506 187352609 /nfs/dbraw/zinc/35/26/09/187352609.db2.gz LGXWZXLATBUCAX-UHFFFAOYSA-N 0 0 231.339 3.857 20 0 BHADRN CC(C)OCCC(=O)Nc1cccc(C(C)C)c1 ZINC000298342524 167202721 /nfs/dbraw/zinc/20/27/21/167202721.db2.gz LKCYZXFAVMGTPI-UHFFFAOYSA-N 0 0 249.354 3.564 20 0 BHADRN O=C(CC1CC1)Nc1cc(Cl)ccc1Cl ZINC000298342554 386328569 /nfs/dbraw/zinc/32/85/69/386328569.db2.gz LNYDZCABUFBDJE-UHFFFAOYSA-N 0 0 244.121 3.732 20 0 BHADRN CCN(C(=O)C[C@@H]1C=CCC1)c1ccccc1F ZINC000298342882 386328016 /nfs/dbraw/zinc/32/80/16/386328016.db2.gz CNONCTJDUUXFAC-GFCCVEGCSA-N 0 0 247.313 3.535 20 0 BHADRN CCN(C(=O)C[C@H]1C=CCC1)c1ccccc1F ZINC000298342885 386328858 /nfs/dbraw/zinc/32/88/58/386328858.db2.gz CNONCTJDUUXFAC-LBPRGKRZSA-N 0 0 247.313 3.535 20 0 BHADRN C/C=C/C=C/C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000298344952 386328031 /nfs/dbraw/zinc/32/80/31/386328031.db2.gz FWOCUCVNKXQHNJ-SWLCMZCJSA-N 0 0 243.350 3.647 20 0 BHADRN C/C=C/C=C/C(=O)N(C)[C@H](C)c1ccccc1C ZINC000298344961 187352504 /nfs/dbraw/zinc/35/25/04/187352504.db2.gz FWOCUCVNKXQHNJ-WHQVUMMKSA-N 0 0 243.350 3.647 20 0 BHADRN CC(C)=CC(=O)N(C)[C@@H](C)c1ccc(C)cc1C ZINC000298345598 386328325 /nfs/dbraw/zinc/32/83/25/386328325.db2.gz QFTPEXGQKGYMDT-AWEZNQCLSA-N 0 0 245.366 3.789 20 0 BHADRN CC(C)=CC(=O)N(C)[C@H](C)c1ccc(C)cc1C ZINC000298345601 386328369 /nfs/dbraw/zinc/32/83/69/386328369.db2.gz QFTPEXGQKGYMDT-CQSZACIVSA-N 0 0 245.366 3.789 20 0 BHADRN CCCN(C(=O)C(C)C)[C@H]1CCc2ccccc21 ZINC000298347939 169040965 /nfs/dbraw/zinc/04/09/65/169040965.db2.gz KWWNGPNQJTZKIC-HNNXBMFYSA-N 0 0 245.366 3.569 20 0 BHADRN CCCN(C(=O)C(C)C)[C@@H]1CCc2ccccc21 ZINC000298347943 169040891 /nfs/dbraw/zinc/04/08/91/169040891.db2.gz KWWNGPNQJTZKIC-OAHLLOKOSA-N 0 0 245.366 3.569 20 0 BHADRN Cc1ccc([C@@H](C)N(C)C(=O)C2CCC2)c(C)c1 ZINC000298349672 386327700 /nfs/dbraw/zinc/32/77/00/386327700.db2.gz REDVFIBLXCKXGG-CYBMUJFWSA-N 0 0 245.366 3.623 20 0 BHADRN Cc1ccc([C@H](C)N(C)C(=O)C2CCC2)c(C)c1 ZINC000298349679 386327612 /nfs/dbraw/zinc/32/76/12/386327612.db2.gz REDVFIBLXCKXGG-ZDUSSCGKSA-N 0 0 245.366 3.623 20 0 BHADRN Cc1cccc(CN(C)C(=O)C2CCCCC2)c1 ZINC000298350208 188214690 /nfs/dbraw/zinc/21/46/90/188214690.db2.gz KKHLNJVAXJWHNB-UHFFFAOYSA-N 0 0 245.366 3.534 20 0 BHADRN CCCN(CC)C(=O)c1cc2ccccc2s1 ZINC000298351678 169117961 /nfs/dbraw/zinc/11/79/61/169117961.db2.gz RUDYOXYQTYUVKC-UHFFFAOYSA-N 0 0 247.363 3.773 20 0 BHADRN CCN(C(=O)/C=C/c1cccs1)C1CCCC1 ZINC000298351983 386327896 /nfs/dbraw/zinc/32/78/96/386327896.db2.gz SFFSSLALLMOBGF-MDZDMXLPSA-N 0 0 249.379 3.552 20 0 BHADRN CC[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000298352896 386327903 /nfs/dbraw/zinc/32/79/03/386327903.db2.gz HFOJZKQSZZSIGE-DZGCQCFKSA-N 0 0 243.350 3.610 20 0 BHADRN CC[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000298352900 386328348 /nfs/dbraw/zinc/32/83/48/386328348.db2.gz HFOJZKQSZZSIGE-HIFRSBDPSA-N 0 0 243.350 3.610 20 0 BHADRN CC[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000298352905 386327758 /nfs/dbraw/zinc/32/77/58/386327758.db2.gz HFOJZKQSZZSIGE-UKRRQHHQSA-N 0 0 243.350 3.610 20 0 BHADRN CC[C@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000298352909 386328090 /nfs/dbraw/zinc/32/80/90/386328090.db2.gz HFOJZKQSZZSIGE-ZFWWWQNUSA-N 0 0 243.350 3.610 20 0 BHADRN CCC1CCC(N(C)C(=O)c2ccc(C)o2)CC1 ZINC000298353983 386330061 /nfs/dbraw/zinc/33/00/61/386330061.db2.gz INOPJNWUGRLBBI-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN CC(C)CN(C(=O)c1ccoc1)c1ccccc1 ZINC000298354212 352501102 /nfs/dbraw/zinc/50/11/02/352501102.db2.gz MIYYEHOTRDXZFM-UHFFFAOYSA-N 0 0 243.306 3.582 20 0 BHADRN CCc1cccc(CC)c1NC(=O)CC1CC1 ZINC000298354676 188573257 /nfs/dbraw/zinc/57/32/57/188573257.db2.gz PWLBXSRIYZZYBK-UHFFFAOYSA-N 0 0 231.339 3.550 20 0 BHADRN CCCCC(=O)N(C)[C@H](C)c1ccccc1C ZINC000298355982 168609701 /nfs/dbraw/zinc/60/97/01/168609701.db2.gz TXGGBWKQODKZIS-CYBMUJFWSA-N 0 0 233.355 3.705 20 0 BHADRN CCCCC(=O)N(C)[C@@H](C)c1ccccc1C ZINC000298355987 386330637 /nfs/dbraw/zinc/33/06/37/386330637.db2.gz TXGGBWKQODKZIS-ZDUSSCGKSA-N 0 0 233.355 3.705 20 0 BHADRN CC(C)OCCC(=O)Nc1ccc(C(C)C)cc1 ZINC000298357690 167201897 /nfs/dbraw/zinc/20/18/97/167201897.db2.gz RGKIADWRDMAJAN-UHFFFAOYSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@@H](c1ccccc1)N(CC)C(=O)C(C)C ZINC000298358634 352500688 /nfs/dbraw/zinc/50/06/88/352500688.db2.gz NDAXBNZDZVUODX-AWEZNQCLSA-N 0 0 233.355 3.642 20 0 BHADRN CC[C@H](c1ccccc1)N(CC)C(=O)C(C)C ZINC000298358635 171598751 /nfs/dbraw/zinc/59/87/51/171598751.db2.gz NDAXBNZDZVUODX-CQSZACIVSA-N 0 0 233.355 3.642 20 0 BHADRN CCc1ccc(N(CC)C(=O)c2ccco2)cc1 ZINC000298360369 386330771 /nfs/dbraw/zinc/33/07/71/386330771.db2.gz NILRIMDVXVFDMJ-UHFFFAOYSA-N 0 0 243.306 3.509 20 0 BHADRN CCCC(=O)N(CCC)[C@H]1CCc2ccccc21 ZINC000298362334 386329741 /nfs/dbraw/zinc/32/97/41/386329741.db2.gz NUPUUMVYKSSHRH-HNNXBMFYSA-N 0 0 245.366 3.713 20 0 BHADRN CCCC(=O)N(CCC)[C@@H]1CCc2ccccc21 ZINC000298362344 386330153 /nfs/dbraw/zinc/33/01/53/386330153.db2.gz NUPUUMVYKSSHRH-OAHLLOKOSA-N 0 0 245.366 3.713 20 0 BHADRN CCCCN(C(=O)c1cc(F)ccc1C)C1CC1 ZINC000298362850 386330470 /nfs/dbraw/zinc/33/04/70/386330470.db2.gz RCIHXWFHCDTJBX-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN CCCN(Cc1ccc(F)cc1)C(=O)C=C(C)C ZINC000298364599 169175714 /nfs/dbraw/zinc/17/57/14/169175714.db2.gz WKEOFIFIZWZCGA-UHFFFAOYSA-N 0 0 249.329 3.531 20 0 BHADRN CCN(C(=O)c1cc(F)ccc1C)C1CCCC1 ZINC000298366221 169655766 /nfs/dbraw/zinc/65/57/66/169655766.db2.gz WTAQPQXPNDWKPJ-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN C[C@@H](SCCCO)c1cccc(Cl)c1 ZINC000298369959 176008211 /nfs/dbraw/zinc/00/82/11/176008211.db2.gz UOGCVDJLYOUDAO-SECBINFHSA-N 0 0 230.760 3.517 20 0 BHADRN C[C@H](SCCCO)c1cccc(Cl)c1 ZINC000298369963 177027267 /nfs/dbraw/zinc/02/72/67/177027267.db2.gz UOGCVDJLYOUDAO-VIFPVBQESA-N 0 0 230.760 3.517 20 0 BHADRN CC(C)CN(C(=O)c1ccco1)c1ccccc1 ZINC000298370654 364791800 /nfs/dbraw/zinc/79/18/00/364791800.db2.gz PZBOUUFAKSQNBV-UHFFFAOYSA-N 0 0 243.306 3.582 20 0 BHADRN Cc1ccc(C(=O)N(CC(C)C)C2CCCC2)o1 ZINC000298370663 178381603 /nfs/dbraw/zinc/38/16/03/178381603.db2.gz QAKJBEPPNJFDGW-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)CC(C)(C)C)c1ccccc1F ZINC000298372634 386333115 /nfs/dbraw/zinc/33/31/15/386333115.db2.gz KILYPAYPIVWJTE-UHFFFAOYSA-N 0 0 237.318 3.615 20 0 BHADRN CC(C)[C@@H](C)N(C)C(=O)c1ccc(Cl)s1 ZINC000298372847 167366347 /nfs/dbraw/zinc/36/63/47/167366347.db2.gz FMRXPEYPRHDGIY-MRVPVSSYSA-N 0 0 245.775 3.518 20 0 BHADRN CC(C)[C@H](C)N(C)C(=O)c1ccc(Cl)s1 ZINC000298372853 386333664 /nfs/dbraw/zinc/33/36/64/386333664.db2.gz FMRXPEYPRHDGIY-QMMMGPOBSA-N 0 0 245.775 3.518 20 0 BHADRN CCCN(CC(C)C)C(=O)c1sccc1C ZINC000298373691 169105217 /nfs/dbraw/zinc/10/52/17/169105217.db2.gz ZHRCKPWUSWTNSF-UHFFFAOYSA-N 0 0 239.384 3.565 20 0 BHADRN Cc1cccc(NC(=O)N(C)[C@H](C)C(C)C)c1C ZINC000298374622 179130860 /nfs/dbraw/zinc/13/08/60/179130860.db2.gz ATIOEMWJJLDUTJ-CYBMUJFWSA-N 0 0 248.370 3.812 20 0 BHADRN Cc1cccc(NC(=O)N(C)[C@@H](C)C(C)C)c1C ZINC000298374629 179130807 /nfs/dbraw/zinc/13/08/07/179130807.db2.gz ATIOEMWJJLDUTJ-ZDUSSCGKSA-N 0 0 248.370 3.812 20 0 BHADRN Cc1ccc(C)c(NC(=O)N(C)[C@H](C)C(C)C)c1 ZINC000298374864 386332584 /nfs/dbraw/zinc/33/25/84/386332584.db2.gz AZWIFIIYTUAAJD-CYBMUJFWSA-N 0 0 248.370 3.812 20 0 BHADRN Cc1ccc(C)c(NC(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000298374872 386332870 /nfs/dbraw/zinc/33/28/70/386332870.db2.gz AZWIFIIYTUAAJD-ZDUSSCGKSA-N 0 0 248.370 3.812 20 0 BHADRN CCCCN(C(=O)Nc1ccc(C)cc1)C1CC1 ZINC000298379454 386331801 /nfs/dbraw/zinc/33/18/01/386331801.db2.gz YBDLPUUUPGJDGB-UHFFFAOYSA-N 0 0 246.354 3.791 20 0 BHADRN CCC(=O)N(CC)Cc1ccc2ccccc2c1 ZINC000298380286 168213004 /nfs/dbraw/zinc/21/30/04/168213004.db2.gz PRZAUNUKVRWKIY-UHFFFAOYSA-N 0 0 241.334 3.598 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)Nc1ccccc1CC ZINC000298380610 169363332 /nfs/dbraw/zinc/36/33/32/169363332.db2.gz FAZPENPGKVIILB-GFCCVEGCSA-N 0 0 248.370 3.901 20 0 BHADRN CCC[C@H](C)N(C)C(=O)Nc1ccccc1CC ZINC000298380615 386333439 /nfs/dbraw/zinc/33/34/39/386333439.db2.gz FAZPENPGKVIILB-LBPRGKRZSA-N 0 0 248.370 3.901 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)Nc1cccc(C)c1C ZINC000298381095 169362706 /nfs/dbraw/zinc/36/27/06/169362706.db2.gz DDWUNFIBRPDIOV-GFCCVEGCSA-N 0 0 248.370 3.956 20 0 BHADRN CCC[C@H](C)N(C)C(=O)Nc1cccc(C)c1C ZINC000298381100 386335934 /nfs/dbraw/zinc/33/59/34/386335934.db2.gz DDWUNFIBRPDIOV-LBPRGKRZSA-N 0 0 248.370 3.956 20 0 BHADRN CC(C)CCC(=O)Nc1ccccc1OC(C)C ZINC000298385809 166797903 /nfs/dbraw/zinc/79/79/03/166797903.db2.gz CUHCLWYOCPFXMM-UHFFFAOYSA-N 0 0 249.354 3.849 20 0 BHADRN CC(C)[C@H](C)N(C)C(=O)C[C@H](C)c1ccccc1 ZINC000298387081 386334449 /nfs/dbraw/zinc/33/44/49/386334449.db2.gz JHTIVTWSZSSJKB-KBPBESRZSA-N 0 0 247.382 3.683 20 0 BHADRN CC(C)[C@H](C)N(C)C(=O)C[C@@H](C)c1ccccc1 ZINC000298387083 187353026 /nfs/dbraw/zinc/35/30/26/187353026.db2.gz JHTIVTWSZSSJKB-KGLIPLIRSA-N 0 0 247.382 3.683 20 0 BHADRN CC(C)[C@@H](C)N(C)C(=O)C[C@H](C)c1ccccc1 ZINC000298387087 167363531 /nfs/dbraw/zinc/36/35/31/167363531.db2.gz JHTIVTWSZSSJKB-UONOGXRCSA-N 0 0 247.382 3.683 20 0 BHADRN CC(C)[C@@H](C)N(C)C(=O)C[C@@H](C)c1ccccc1 ZINC000298387090 167364052 /nfs/dbraw/zinc/36/40/52/167364052.db2.gz JHTIVTWSZSSJKB-ZIAGYGMSSA-N 0 0 247.382 3.683 20 0 BHADRN Cc1cccc(C)c1NC(=O)N(C)[C@H](C)C(C)C ZINC000298387125 179040908 /nfs/dbraw/zinc/04/09/08/179040908.db2.gz ISWIYPRIWOHWAZ-CYBMUJFWSA-N 0 0 248.370 3.812 20 0 BHADRN Cc1cccc(C)c1NC(=O)N(C)[C@@H](C)C(C)C ZINC000298387128 179041188 /nfs/dbraw/zinc/04/11/88/179041188.db2.gz ISWIYPRIWOHWAZ-ZDUSSCGKSA-N 0 0 248.370 3.812 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@H](C)C(C)C)cc1C ZINC000298387577 178731648 /nfs/dbraw/zinc/73/16/48/178731648.db2.gz GIEKYLOIACTFBU-CYBMUJFWSA-N 0 0 248.370 3.812 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@@H](C)C(C)C)cc1C ZINC000298387584 178731626 /nfs/dbraw/zinc/73/16/26/178731626.db2.gz GIEKYLOIACTFBU-ZDUSSCGKSA-N 0 0 248.370 3.812 20 0 BHADRN CCCN(C(=O)CC)[C@@H](CC)c1ccccc1 ZINC000298388750 169040445 /nfs/dbraw/zinc/04/04/45/169040445.db2.gz SSYBYZCKYLUUIW-AWEZNQCLSA-N 0 0 233.355 3.786 20 0 BHADRN CCCN(C(=O)CC)[C@H](CC)c1ccccc1 ZINC000298388752 169040870 /nfs/dbraw/zinc/04/08/70/169040870.db2.gz SSYBYZCKYLUUIW-CQSZACIVSA-N 0 0 233.355 3.786 20 0 BHADRN CC(C)[C@@H](C)N(C)C(=O)c1cc2ccccc2o1 ZINC000298389922 167366704 /nfs/dbraw/zinc/36/67/04/167366704.db2.gz JZXILYJVKGYQQY-LLVKDONJSA-N 0 0 245.322 3.549 20 0 BHADRN CC(C)[C@H](C)N(C)C(=O)c1cc2ccccc2o1 ZINC000298389926 188042020 /nfs/dbraw/zinc/04/20/20/188042020.db2.gz JZXILYJVKGYQQY-NSHDSACASA-N 0 0 245.322 3.549 20 0 BHADRN CC[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000298390567 386336383 /nfs/dbraw/zinc/33/63/83/386336383.db2.gz QVMOYCMOHGHKMF-CABCVRRESA-N 0 0 243.350 3.610 20 0 BHADRN CC[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000298390571 386336560 /nfs/dbraw/zinc/33/65/60/386336560.db2.gz QVMOYCMOHGHKMF-GJZGRUSLSA-N 0 0 243.350 3.610 20 0 BHADRN CC[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000298390575 386335337 /nfs/dbraw/zinc/33/53/37/386335337.db2.gz QVMOYCMOHGHKMF-HUUCEWRRSA-N 0 0 243.350 3.610 20 0 BHADRN CC[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000298390578 386335885 /nfs/dbraw/zinc/33/58/85/386335885.db2.gz QVMOYCMOHGHKMF-LSDHHAIUSA-N 0 0 243.350 3.610 20 0 BHADRN CCCN(CC)C(=O)c1cccc2ccccc21 ZINC000298391941 169119721 /nfs/dbraw/zinc/11/97/21/169119721.db2.gz FGLSNEANDPZYIW-UHFFFAOYSA-N 0 0 241.334 3.712 20 0 BHADRN CCCC(=O)N(CC)[C@@H](CC)c1ccccc1 ZINC000298394037 386335405 /nfs/dbraw/zinc/33/54/05/386335405.db2.gz UJTICFWOGHAYBP-AWEZNQCLSA-N 0 0 233.355 3.786 20 0 BHADRN CCCC(=O)N(CC)[C@H](CC)c1ccccc1 ZINC000298394041 168535640 /nfs/dbraw/zinc/53/56/40/168535640.db2.gz UJTICFWOGHAYBP-CQSZACIVSA-N 0 0 233.355 3.786 20 0 BHADRN Cc1cccc(C)c1NC(=O)NCCCC(C)C ZINC000298395860 179040296 /nfs/dbraw/zinc/04/02/96/179040296.db2.gz NFDBQBBSTNEWRZ-UHFFFAOYSA-N 0 0 248.370 3.861 20 0 BHADRN CC(C)=CC(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000298396526 386337580 /nfs/dbraw/zinc/33/75/80/386337580.db2.gz OJXKOICDQVNPKI-CYBMUJFWSA-N 0 0 243.350 3.705 20 0 BHADRN CC(C)=CC(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000298396530 188215314 /nfs/dbraw/zinc/21/53/14/188215314.db2.gz OJXKOICDQVNPKI-ZDUSSCGKSA-N 0 0 243.350 3.705 20 0 BHADRN Cc1cccc(CN(C)C(=O)C2(C)CCCC2)c1 ZINC000298398892 386337642 /nfs/dbraw/zinc/33/76/42/386337642.db2.gz UNMVIDHQELJPKF-UHFFFAOYSA-N 0 0 245.366 3.534 20 0 BHADRN CCCCN(C(=O)c1ccoc1)C1CCCCC1 ZINC000298398904 386338050 /nfs/dbraw/zinc/33/80/50/386338050.db2.gz VHWPFICOTOQSTR-UHFFFAOYSA-N 0 0 249.354 3.855 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@H](C)C(C)C ZINC000298402798 188215091 /nfs/dbraw/zinc/21/50/91/188215091.db2.gz MPWJNAGORQZQPL-GFCCVEGCSA-N 0 0 234.343 3.503 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@@H](C)C(C)C ZINC000298402801 187701496 /nfs/dbraw/zinc/70/14/96/187701496.db2.gz MPWJNAGORQZQPL-LBPRGKRZSA-N 0 0 234.343 3.503 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)Nc1ccccc1C ZINC000298402929 169363184 /nfs/dbraw/zinc/36/31/84/169363184.db2.gz MWDNJPQYELOPDQ-GFCCVEGCSA-N 0 0 234.343 3.647 20 0 BHADRN CCC[C@H](C)N(C)C(=O)Nc1ccccc1C ZINC000298402934 386338810 /nfs/dbraw/zinc/33/88/10/386338810.db2.gz MWDNJPQYELOPDQ-LBPRGKRZSA-N 0 0 234.343 3.647 20 0 BHADRN CC[C@@H](c1ccccc1)N(CC)C(=O)C=C(C)C ZINC000298406448 386337454 /nfs/dbraw/zinc/33/74/54/386337454.db2.gz WZKPCANEJKKMKG-HNNXBMFYSA-N 0 0 245.366 3.952 20 0 BHADRN CC[C@H](c1ccccc1)N(CC)C(=O)C=C(C)C ZINC000298406456 386338919 /nfs/dbraw/zinc/33/89/19/386338919.db2.gz WZKPCANEJKKMKG-OAHLLOKOSA-N 0 0 245.366 3.952 20 0 BHADRN CCc1ccccc1NC(=O)N(C)[C@H](C)C(C)C ZINC000298407385 386338188 /nfs/dbraw/zinc/33/81/88/386338188.db2.gz UXHFUHKBEFTZNX-GFCCVEGCSA-N 0 0 248.370 3.757 20 0 BHADRN CCc1ccccc1NC(=O)N(C)[C@@H](C)C(C)C ZINC000298407389 171884994 /nfs/dbraw/zinc/88/49/94/171884994.db2.gz UXHFUHKBEFTZNX-LBPRGKRZSA-N 0 0 248.370 3.757 20 0 BHADRN CCCC(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000298408141 386339946 /nfs/dbraw/zinc/33/99/46/386339946.db2.gz QVVHNGUSTBNUEL-GFCCVEGCSA-N 0 0 231.339 3.539 20 0 BHADRN CCCC(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000298408144 168534311 /nfs/dbraw/zinc/53/43/11/168534311.db2.gz QVVHNGUSTBNUEL-LBPRGKRZSA-N 0 0 231.339 3.539 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@H](C)C(C)C)c(C)c1 ZINC000298408966 386340618 /nfs/dbraw/zinc/34/06/18/386340618.db2.gz PKIBQXOFQRBXSY-CYBMUJFWSA-N 0 0 248.370 3.812 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@@H](C)C(C)C)c(C)c1 ZINC000298408967 178731426 /nfs/dbraw/zinc/73/14/26/178731426.db2.gz PKIBQXOFQRBXSY-ZDUSSCGKSA-N 0 0 248.370 3.812 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)Nc1cc(C)ccc1C ZINC000298411845 169363103 /nfs/dbraw/zinc/36/31/03/169363103.db2.gz QHTUXDRJTCRMJS-CYBMUJFWSA-N 0 0 248.370 3.956 20 0 BHADRN CCC[C@H](C)N(C)C(=O)Nc1cc(C)ccc1C ZINC000298411847 386340956 /nfs/dbraw/zinc/34/09/56/386340956.db2.gz QHTUXDRJTCRMJS-ZDUSSCGKSA-N 0 0 248.370 3.956 20 0 BHADRN CCCCN(C(=O)Nc1ccccc1C)C1CC1 ZINC000298418079 168753727 /nfs/dbraw/zinc/75/37/27/168753727.db2.gz SULSNNPLIZGJMX-UHFFFAOYSA-N 0 0 246.354 3.791 20 0 BHADRN CC[C@@H](c1ccccc1)N(CC)C(=O)C1CCC1 ZINC000298418261 352504099 /nfs/dbraw/zinc/50/40/99/352504099.db2.gz YWUHTRANMQQBPA-HNNXBMFYSA-N 0 0 245.366 3.786 20 0 BHADRN CC[C@H](c1ccccc1)N(CC)C(=O)C1CCC1 ZINC000298418268 386341251 /nfs/dbraw/zinc/34/12/51/386341251.db2.gz YWUHTRANMQQBPA-OAHLLOKOSA-N 0 0 245.366 3.786 20 0 BHADRN CCCCC(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000298420159 386341640 /nfs/dbraw/zinc/34/16/40/386341640.db2.gz UHDPOOPUWPXBFG-CYBMUJFWSA-N 0 0 245.366 3.929 20 0 BHADRN CCCCC(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000298420164 386340169 /nfs/dbraw/zinc/34/01/69/386340169.db2.gz UHDPOOPUWPXBFG-ZDUSSCGKSA-N 0 0 245.366 3.929 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)Nc1ccc(C)cc1C ZINC000298421106 169363389 /nfs/dbraw/zinc/36/33/89/169363389.db2.gz UWYSSMMVUFHJOW-CYBMUJFWSA-N 0 0 248.370 3.956 20 0 BHADRN CCC[C@H](C)N(C)C(=O)Nc1ccc(C)cc1C ZINC000298421111 169485950 /nfs/dbraw/zinc/48/59/50/169485950.db2.gz UWYSSMMVUFHJOW-ZDUSSCGKSA-N 0 0 248.370 3.956 20 0 BHADRN CCCCCC(=O)N(Cc1ccco1)C(C)C ZINC000298421984 386341151 /nfs/dbraw/zinc/34/11/51/386341151.db2.gz UQORASOXFVKTPN-UHFFFAOYSA-N 0 0 237.343 3.597 20 0 BHADRN CCC(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000298422224 168214022 /nfs/dbraw/zinc/21/40/22/168214022.db2.gz ZXOSDYYMGPFLSS-UHFFFAOYSA-N 0 0 249.329 3.507 20 0 BHADRN CCN(C(=O)c1ccco1)c1cccc(C)c1C ZINC000298423438 386340181 /nfs/dbraw/zinc/34/01/81/386340181.db2.gz HECWMWQRVKDVOV-UHFFFAOYSA-N 0 0 243.306 3.563 20 0 BHADRN C[C@H](c1ccccc1)N(C(=O)C1CCC1)C1CC1 ZINC000298426262 177037825 /nfs/dbraw/zinc/03/78/25/177037825.db2.gz VPWUOLHALAYQDS-GFCCVEGCSA-N 0 0 243.350 3.539 20 0 BHADRN C[C@@H](c1ccccc1)N(C(=O)C1CCC1)C1CC1 ZINC000298426266 176019551 /nfs/dbraw/zinc/01/95/51/176019551.db2.gz VPWUOLHALAYQDS-LBPRGKRZSA-N 0 0 243.350 3.539 20 0 BHADRN CC(C)N(Cc1ccco1)C(=O)CC1CCCC1 ZINC000298438318 386343963 /nfs/dbraw/zinc/34/39/63/386343963.db2.gz YLBKPVVHUABOGD-UHFFFAOYSA-N 0 0 249.354 3.597 20 0 BHADRN CC[C@@H](C)C(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000298438345 386344811 /nfs/dbraw/zinc/34/48/11/386344811.db2.gz YLLNGPHZZIYOJJ-CHWSQXEVSA-N 0 0 245.366 3.785 20 0 BHADRN CC[C@@H](C)C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000298438350 170676354 /nfs/dbraw/zinc/67/63/54/170676354.db2.gz YLLNGPHZZIYOJJ-OLZOCXBDSA-N 0 0 245.366 3.785 20 0 BHADRN CC[C@H](C)C(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000298438356 171247201 /nfs/dbraw/zinc/24/72/01/171247201.db2.gz YLLNGPHZZIYOJJ-QWHCGFSZSA-N 0 0 245.366 3.785 20 0 BHADRN CC[C@H](C)C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000298438362 171247221 /nfs/dbraw/zinc/24/72/21/171247221.db2.gz YLLNGPHZZIYOJJ-STQMWFEESA-N 0 0 245.366 3.785 20 0 BHADRN Cc1nnc([C@@H](C)Sc2ccccc2)s1 ZINC000298441351 518193913 /nfs/dbraw/zinc/19/39/13/518193913.db2.gz RWQHTXGAIYYMPF-MRVPVSSYSA-N 0 0 236.365 3.700 20 0 BHADRN Cc1nnc([C@H](C)Sc2ccccc2)s1 ZINC000298441359 386343940 /nfs/dbraw/zinc/34/39/40/386343940.db2.gz RWQHTXGAIYYMPF-QMMMGPOBSA-N 0 0 236.365 3.700 20 0 BHADRN CC(C)CC(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000298442211 386343151 /nfs/dbraw/zinc/34/31/51/386343151.db2.gz ZKXGMKZMAJBIQN-CYBMUJFWSA-N 0 0 245.366 3.785 20 0 BHADRN CC(C)CC(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000298442214 188395948 /nfs/dbraw/zinc/39/59/48/188395948.db2.gz ZKXGMKZMAJBIQN-ZDUSSCGKSA-N 0 0 245.366 3.785 20 0 BHADRN CCN(C(=O)c1ccoc1)c1cccc(C)c1C ZINC000298451785 386346816 /nfs/dbraw/zinc/34/68/16/386346816.db2.gz PXIGALJRYVLBLS-UHFFFAOYSA-N 0 0 243.306 3.563 20 0 BHADRN C[C@@H](O)CS[C@@H](C)c1cccc(Cl)c1 ZINC000298476526 177026787 /nfs/dbraw/zinc/02/67/87/177026787.db2.gz ZPXWJKMQYHGHNL-BDAKNGLRSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](SC[C@H](C)O)c1cccc(Cl)c1 ZINC000298476531 491070953 /nfs/dbraw/zinc/07/09/53/491070953.db2.gz ZPXWJKMQYHGHNL-DTWKUNHWSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@H](O)CS[C@@H](C)c1cccc(Cl)c1 ZINC000298476534 491070956 /nfs/dbraw/zinc/07/09/56/491070956.db2.gz ZPXWJKMQYHGHNL-IUCAKERBSA-N 0 0 230.760 3.515 20 0 BHADRN C[C@@H](O)CS[C@H](C)c1cccc(Cl)c1 ZINC000298476538 491070972 /nfs/dbraw/zinc/07/09/72/491070972.db2.gz ZPXWJKMQYHGHNL-RKDXNWHRSA-N 0 0 230.760 3.515 20 0 BHADRN CCCCCC(=O)Nc1ccc(N(C)C)cc1C ZINC000298501865 168642563 /nfs/dbraw/zinc/64/25/63/168642563.db2.gz LSIQCRPAGZBBCM-UHFFFAOYSA-N 0 0 248.370 3.580 20 0 BHADRN Clc1nc(CSC2CCCC2)cs1 ZINC000298512566 187258600 /nfs/dbraw/zinc/25/86/00/187258600.db2.gz WBDUSVNVUMFYMJ-UHFFFAOYSA-N 0 0 233.789 3.972 20 0 BHADRN CC(C)[C@H](C)N(C)C(=O)CCCc1ccccc1 ZINC000298519597 188215262 /nfs/dbraw/zinc/21/52/62/188215262.db2.gz PYMLIKRWOVLLIE-AWEZNQCLSA-N 0 0 247.382 3.512 20 0 BHADRN CC(C)[C@@H](C)N(C)C(=O)CCCc1ccccc1 ZINC000298519598 167363809 /nfs/dbraw/zinc/36/38/09/167363809.db2.gz PYMLIKRWOVLLIE-CQSZACIVSA-N 0 0 247.382 3.512 20 0 BHADRN CC(C)(C)CCOc1ccc(-c2nnco2)cc1 ZINC000298525008 386355758 /nfs/dbraw/zinc/35/57/58/386355758.db2.gz WHXGXVAWYQVQQO-UHFFFAOYSA-N 0 0 246.310 3.552 20 0 BHADRN Fc1ccc(SC[C@@H]2CCOC2)cc1Cl ZINC000298612368 386363060 /nfs/dbraw/zinc/36/30/60/386363060.db2.gz RVDKAYDWPZGBKK-MRVPVSSYSA-N 0 0 246.734 3.608 20 0 BHADRN Fc1ccc(SC[C@H]2CCOC2)cc1Cl ZINC000298612372 180982322 /nfs/dbraw/zinc/98/23/22/180982322.db2.gz RVDKAYDWPZGBKK-QMMMGPOBSA-N 0 0 246.734 3.608 20 0 BHADRN c1cc(CSC2CCCCC2)ccn1 ZINC000298619344 183354723 /nfs/dbraw/zinc/35/47/23/183354723.db2.gz OLNVORCXFNEDNH-UHFFFAOYSA-N 0 0 207.342 3.648 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccc(C)cc1C ZINC000298678387 386369899 /nfs/dbraw/zinc/36/98/99/386369899.db2.gz ILVGBVUICBJEJO-IZZDOVSWSA-N 0 0 217.312 3.598 20 0 BHADRN CCCN(CC)C(=O)Nc1cccc(Cl)c1 ZINC000298693840 169114648 /nfs/dbraw/zinc/11/46/48/169114648.db2.gz CEASCQAXGYGKMS-UHFFFAOYSA-N 0 0 240.734 3.604 20 0 BHADRN CC(C)=CCSc1ccc(NC(C)=O)cc1 ZINC000298702737 188041552 /nfs/dbraw/zinc/04/15/52/188041552.db2.gz 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CCc1cc(N[C@H](C)C2CC2)ccc1C ZINC000300830046 529561079 /nfs/dbraw/zinc/56/10/79/529561079.db2.gz HIYPALUPAHPLJT-LLVKDONJSA-N 0 0 203.329 3.768 20 0 BHADRN CCc1cc(N[C@@H](C)C2CC2)ccc1C ZINC000300830047 529559508 /nfs/dbraw/zinc/55/95/08/529559508.db2.gz HIYPALUPAHPLJT-NSHDSACASA-N 0 0 203.329 3.768 20 0 BHADRN CC(C)(C)CCC[S@](=O)c1cccc(F)c1 ZINC000300831488 166564747 /nfs/dbraw/zinc/56/47/47/166564747.db2.gz IHXCLYYMCJZMTD-INIZCTEOSA-N 0 0 242.359 3.760 20 0 BHADRN CC(C)(C)CCC[S@@](=O)c1cccc(F)c1 ZINC000300831492 384597436 /nfs/dbraw/zinc/59/74/36/384597436.db2.gz IHXCLYYMCJZMTD-MRXNPFEDSA-N 0 0 242.359 3.760 20 0 BHADRN CC(C)C[C@@H](C)CNc1ccn(C(C)C)n1 ZINC000300833282 528253068 /nfs/dbraw/zinc/25/30/68/528253068.db2.gz FOPBUCAWOQHZKK-GFCCVEGCSA-N 0 0 223.364 3.558 20 0 BHADRN CC(C)C[C@H](C)CNc1ccn(C(C)C)n1 ZINC000300833286 528462225 /nfs/dbraw/zinc/46/22/25/528462225.db2.gz FOPBUCAWOQHZKK-LBPRGKRZSA-N 0 0 223.364 3.558 20 0 BHADRN CC(C)n1ccc(NCCCC(C)(C)C)n1 ZINC000300835188 384963490 /nfs/dbraw/zinc/96/34/90/384963490.db2.gz ILNZCHNTBPOEAY-UHFFFAOYSA-N 0 0 223.364 3.702 20 0 BHADRN Oc1ccc(SC[C@@H]2CCC(F)(F)C2)cc1 ZINC000300836610 534452977 /nfs/dbraw/zinc/45/29/77/534452977.db2.gz IBJZOQQCCSCIRJ-SECBINFHSA-N 0 0 244.306 3.920 20 0 BHADRN Oc1ccc(SC[C@H]2CCC(F)(F)C2)cc1 ZINC000300836611 534455226 /nfs/dbraw/zinc/45/52/26/534455226.db2.gz IBJZOQQCCSCIRJ-VIFPVBQESA-N 0 0 244.306 3.920 20 0 BHADRN COCc1ccc(NC/C(Cl)=C/Cl)cc1 ZINC000300839967 592522115 /nfs/dbraw/zinc/52/21/15/592522115.db2.gz JJDYIATVEJSIIF-POHAHGRESA-N 0 0 246.137 3.564 20 0 BHADRN CCCC[C@@H](C)Nc1cn(C)nc1C(C)C ZINC000300846193 528764064 /nfs/dbraw/zinc/76/40/64/528764064.db2.gz KXNIZINROUSNBP-LLVKDONJSA-N 0 0 223.364 3.534 20 0 BHADRN CCCC[C@H](C)Nc1cn(C)nc1C(C)C ZINC000300846194 528894620 /nfs/dbraw/zinc/89/46/20/528894620.db2.gz KXNIZINROUSNBP-NSHDSACASA-N 0 0 223.364 3.534 20 0 BHADRN COC(C)(C)[C@H](C)Nc1cccc(C)c1Cl ZINC000300853673 592522129 /nfs/dbraw/zinc/52/21/29/592522129.db2.gz HSWHPDQALGHFGS-JTQLQIEISA-N 0 0 241.762 3.874 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1cccc(C)c1Cl ZINC000300853676 592522420 /nfs/dbraw/zinc/52/24/20/592522420.db2.gz HSWHPDQALGHFGS-SNVBAGLBSA-N 0 0 241.762 3.874 20 0 BHADRN Fc1cncc(NCc2ccc(Cl)s2)c1 ZINC000300864128 181021199 /nfs/dbraw/zinc/02/11/99/181021199.db2.gz JEKGAYWGNXIJPO-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN CCc1cc(NC[C@H]2CCSC2)ccc1C ZINC000300865179 529557784 /nfs/dbraw/zinc/55/77/84/529557784.db2.gz ORLXHLYNZVRFAT-GFCCVEGCSA-N 0 0 235.396 3.722 20 0 BHADRN CCc1cc(NC[C@@H]2CCSC2)ccc1C ZINC000300865180 529556948 /nfs/dbraw/zinc/55/69/48/529556948.db2.gz ORLXHLYNZVRFAT-LBPRGKRZSA-N 0 0 235.396 3.722 20 0 BHADRN CCc1ccc(NC[C@H]2CCSC2)cc1C ZINC000300868323 529688047 /nfs/dbraw/zinc/68/80/47/529688047.db2.gz PEJAPWCWJGSYFQ-GFCCVEGCSA-N 0 0 235.396 3.722 20 0 BHADRN CCc1ccc(NC[C@@H]2CCSC2)cc1C ZINC000300868330 529688003 /nfs/dbraw/zinc/68/80/03/529688003.db2.gz PEJAPWCWJGSYFQ-LBPRGKRZSA-N 0 0 235.396 3.722 20 0 BHADRN CC(C)(C)CCC[S@](=O)c1ccccc1F ZINC000300888233 166563934 /nfs/dbraw/zinc/56/39/34/166563934.db2.gz PJAJROGQEFCOJM-INIZCTEOSA-N 0 0 242.359 3.760 20 0 BHADRN CC(C)(C)CCC[S@@](=O)c1ccccc1F ZINC000300888236 397780609 /nfs/dbraw/zinc/78/06/09/397780609.db2.gz PJAJROGQEFCOJM-MRXNPFEDSA-N 0 0 242.359 3.760 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1ccc(Cl)cc1 ZINC000300896921 532968579 /nfs/dbraw/zinc/96/85/79/532968579.db2.gz BXAMWIGWPRHZAT-SECBINFHSA-N 0 0 227.735 3.565 20 0 BHADRN COC(C)(C)[C@H](C)Nc1ccc(Cl)cc1 ZINC000300896923 532969979 /nfs/dbraw/zinc/96/99/79/532969979.db2.gz BXAMWIGWPRHZAT-VIFPVBQESA-N 0 0 227.735 3.565 20 0 BHADRN CC(C)[C@H](O)CSCc1ccccc1Cl ZINC000300898590 527742881 /nfs/dbraw/zinc/74/28/81/527742881.db2.gz PUIOXDSZEXRYRB-GFCCVEGCSA-N 0 0 244.787 3.590 20 0 BHADRN CC(C)[C@@H](O)CSCc1ccccc1Cl ZINC000300898593 528635783 /nfs/dbraw/zinc/63/57/83/528635783.db2.gz PUIOXDSZEXRYRB-LBPRGKRZSA-N 0 0 244.787 3.590 20 0 BHADRN Cc1cc(CNc2cncc(F)c2)c(C)s1 ZINC000300903209 323005665 /nfs/dbraw/zinc/00/56/65/323005665.db2.gz NVCNNCHBLHSBAL-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN COC(C)(C)[C@H](C)Nc1cc(C)ccc1Cl ZINC000300908136 532969602 /nfs/dbraw/zinc/96/96/02/532969602.db2.gz CVCVWKHJGNRRLR-JTQLQIEISA-N 0 0 241.762 3.874 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1cc(C)ccc1Cl ZINC000300908138 532968934 /nfs/dbraw/zinc/96/89/34/532968934.db2.gz CVCVWKHJGNRRLR-SNVBAGLBSA-N 0 0 241.762 3.874 20 0 BHADRN CCCCCCNc1ccc(COC)cc1 ZINC000300924025 592525780 /nfs/dbraw/zinc/52/57/80/592525780.db2.gz ZYKZUKICLDGXII-UHFFFAOYSA-N 0 0 221.344 3.825 20 0 BHADRN Oc1ccccc1SC[C@@H]1CCC(F)(F)C1 ZINC000300929776 534456889 /nfs/dbraw/zinc/45/68/89/534456889.db2.gz MFOOBJZPWKUUEK-SECBINFHSA-N 0 0 244.306 3.920 20 0 BHADRN Oc1ccccc1SC[C@H]1CCC(F)(F)C1 ZINC000300929777 534456940 /nfs/dbraw/zinc/45/69/40/534456940.db2.gz MFOOBJZPWKUUEK-VIFPVBQESA-N 0 0 244.306 3.920 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1cc(F)cc(Cl)c1 ZINC000300932070 532969242 /nfs/dbraw/zinc/96/92/42/532969242.db2.gz FQJWFVPMVXYSGJ-MRVPVSSYSA-N 0 0 245.725 3.705 20 0 BHADRN COC(C)(C)[C@H](C)Nc1cc(F)cc(Cl)c1 ZINC000300932071 532970518 /nfs/dbraw/zinc/97/05/18/532970518.db2.gz FQJWFVPMVXYSGJ-QMMMGPOBSA-N 0 0 245.725 3.705 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1cccc(Cl)c1 ZINC000300936773 532968115 /nfs/dbraw/zinc/96/81/15/532968115.db2.gz GABANWHYCKPZDH-SECBINFHSA-N 0 0 227.735 3.565 20 0 BHADRN COC(C)(C)[C@H](C)Nc1cccc(Cl)c1 ZINC000300936774 532969803 /nfs/dbraw/zinc/96/98/03/532969803.db2.gz GABANWHYCKPZDH-VIFPVBQESA-N 0 0 227.735 3.565 20 0 BHADRN COC(C)(C)[C@H](C)Nc1ccc(SC)cc1 ZINC000300955852 532970260 /nfs/dbraw/zinc/97/02/60/532970260.db2.gz HPLDGRQYMJNQOF-JTQLQIEISA-N 0 0 239.384 3.634 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1ccc(SC)cc1 ZINC000300955853 532968900 /nfs/dbraw/zinc/96/89/00/532968900.db2.gz HPLDGRQYMJNQOF-SNVBAGLBSA-N 0 0 239.384 3.634 20 0 BHADRN Cc1cccc(NC[C@@H]2CCC(F)(F)C2)c1 ZINC000300958507 487560954 /nfs/dbraw/zinc/56/09/54/487560954.db2.gz PEDOUJRXMYRLMX-LLVKDONJSA-N 0 0 225.282 3.842 20 0 BHADRN Cc1cccc(NC[C@H]2CCC(F)(F)C2)c1 ZINC000300958509 487561027 /nfs/dbraw/zinc/56/10/27/487561027.db2.gz PEDOUJRXMYRLMX-NSHDSACASA-N 0 0 225.282 3.842 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1ccc(F)c(Cl)c1 ZINC000300971808 532968515 /nfs/dbraw/zinc/96/85/15/532968515.db2.gz JIOIAFFSHZUBCU-MRVPVSSYSA-N 0 0 245.725 3.705 20 0 BHADRN COC(C)(C)[C@H](C)Nc1ccc(F)c(Cl)c1 ZINC000300971809 532969797 /nfs/dbraw/zinc/96/97/97/532969797.db2.gz JIOIAFFSHZUBCU-QMMMGPOBSA-N 0 0 245.725 3.705 20 0 BHADRN Cc1ccccc1NC[C@@H]1CCC(F)(F)C1 ZINC000300989689 487565943 /nfs/dbraw/zinc/56/59/43/487565943.db2.gz TXTPTSBJHOABQV-LLVKDONJSA-N 0 0 225.282 3.842 20 0 BHADRN Cc1ccccc1NC[C@H]1CCC(F)(F)C1 ZINC000300989690 487568374 /nfs/dbraw/zinc/56/83/74/487568374.db2.gz TXTPTSBJHOABQV-NSHDSACASA-N 0 0 225.282 3.842 20 0 BHADRN CC(C)C[C@@H](C)CNc1cnn(C(C)C)c1 ZINC000300990669 323153491 /nfs/dbraw/zinc/15/34/91/323153491.db2.gz VNZDAGDLJIEQGQ-GFCCVEGCSA-N 0 0 223.364 3.558 20 0 BHADRN CC(C)C[C@H](C)CNc1cnn(C(C)C)c1 ZINC000300990670 323007672 /nfs/dbraw/zinc/00/76/72/323007672.db2.gz VNZDAGDLJIEQGQ-LBPRGKRZSA-N 0 0 223.364 3.558 20 0 BHADRN COC(C)(C)[C@H](C)Nc1ccc(C)c(Cl)c1 ZINC000301001368 532969650 /nfs/dbraw/zinc/96/96/50/532969650.db2.gz MYYCDYIDDGNFHA-JTQLQIEISA-N 0 0 241.762 3.874 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1ccc(C)c(Cl)c1 ZINC000301001369 532969065 /nfs/dbraw/zinc/96/90/65/532969065.db2.gz MYYCDYIDDGNFHA-SNVBAGLBSA-N 0 0 241.762 3.874 20 0 BHADRN FC1(F)CC[C@@H](COc2cccnc2Cl)C1 ZINC000301003954 582604337 /nfs/dbraw/zinc/60/43/37/582604337.db2.gz WIXPQTFCXPLXAR-MRVPVSSYSA-N 0 0 247.672 3.549 20 0 BHADRN FC1(F)CC[C@H](COc2cccnc2Cl)C1 ZINC000301003955 582604236 /nfs/dbraw/zinc/60/42/36/582604236.db2.gz WIXPQTFCXPLXAR-QMMMGPOBSA-N 0 0 247.672 3.549 20 0 BHADRN Oc1cccc(SC[C@@H]2CCC(F)(F)C2)c1 ZINC000301006374 226372744 /nfs/dbraw/zinc/37/27/44/226372744.db2.gz WUNDQYLLRRVZIN-SECBINFHSA-N 0 0 244.306 3.920 20 0 BHADRN Oc1cccc(SC[C@H]2CCC(F)(F)C2)c1 ZINC000301006375 226372752 /nfs/dbraw/zinc/37/27/52/226372752.db2.gz WUNDQYLLRRVZIN-VIFPVBQESA-N 0 0 244.306 3.920 20 0 BHADRN Cc1ccc(NC[C@@H]2CCC(F)(F)C2)cc1 ZINC000301018750 487810955 /nfs/dbraw/zinc/81/09/55/487810955.db2.gz ZIQLJRLWUBDVEY-LLVKDONJSA-N 0 0 225.282 3.842 20 0 BHADRN Cc1ccc(NC[C@H]2CCC(F)(F)C2)cc1 ZINC000301018752 487567647 /nfs/dbraw/zinc/56/76/47/487567647.db2.gz ZIQLJRLWUBDVEY-NSHDSACASA-N 0 0 225.282 3.842 20 0 BHADRN COC(C)(C)[C@H](C)Nc1cccc(SC)c1 ZINC000301027510 532970470 /nfs/dbraw/zinc/97/04/70/532970470.db2.gz SPCOILKNFKOXRN-JTQLQIEISA-N 0 0 239.384 3.634 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1cccc(SC)c1 ZINC000301027511 532968723 /nfs/dbraw/zinc/96/87/23/532968723.db2.gz SPCOILKNFKOXRN-SNVBAGLBSA-N 0 0 239.384 3.634 20 0 BHADRN FC1(F)CC[C@@H](COc2ccc(Cl)nc2)C1 ZINC000301040972 592527317 /nfs/dbraw/zinc/52/73/17/592527317.db2.gz ZETAJQKBHABDRT-MRVPVSSYSA-N 0 0 247.672 3.549 20 0 BHADRN FC1(F)CC[C@H](COc2ccc(Cl)nc2)C1 ZINC000301040973 592526964 /nfs/dbraw/zinc/52/69/64/592526964.db2.gz ZETAJQKBHABDRT-QMMMGPOBSA-N 0 0 247.672 3.549 20 0 BHADRN COC(C)(C)[C@H](C)Nc1ccc(C)cc1Cl ZINC000301042372 532969581 /nfs/dbraw/zinc/96/95/81/532969581.db2.gz ZUSCWFNXAIFQOQ-JTQLQIEISA-N 0 0 241.762 3.874 20 0 BHADRN COC(C)(C)[C@@H](C)Nc1ccc(C)cc1Cl ZINC000301042373 532968713 /nfs/dbraw/zinc/96/87/13/532968713.db2.gz ZUSCWFNXAIFQOQ-SNVBAGLBSA-N 0 0 241.762 3.874 20 0 BHADRN C[C@@H]1CCCCN1c1ccc2ccccc2n1 ZINC000301055665 132250721 /nfs/dbraw/zinc/25/07/21/132250721.db2.gz CYOMVBZFVZZCGA-GFCCVEGCSA-N 0 0 226.323 3.614 20 0 BHADRN C[C@H]1CCCCN1c1ccc2ccccc2n1 ZINC000301055666 132250750 /nfs/dbraw/zinc/25/07/50/132250750.db2.gz CYOMVBZFVZZCGA-LBPRGKRZSA-N 0 0 226.323 3.614 20 0 BHADRN CCN(CC(C)C)c1ccc(C(F)(F)F)cn1 ZINC000301059979 386814462 /nfs/dbraw/zinc/81/44/62/386814462.db2.gz BHUZFAJBLFRQCO-UHFFFAOYSA-N 0 0 246.276 3.583 20 0 BHADRN Cc1cc(Oc2ccc(Cl)cc2)nc(C)n1 ZINC000301061195 178214879 /nfs/dbraw/zinc/21/48/79/178214879.db2.gz DGHHHJCXMNMGMK-UHFFFAOYSA-N 0 0 234.686 3.539 20 0 BHADRN c1ccc(SCCCNc2ccccn2)cc1 ZINC000301062126 386815004 /nfs/dbraw/zinc/81/50/04/386815004.db2.gz SNGUCIGBKMROQH-UHFFFAOYSA-N 0 0 244.363 3.676 20 0 BHADRN CCCN(C)c1nc(-c2ccccc2)cs1 ZINC000301063330 169090007 /nfs/dbraw/zinc/09/00/07/169090007.db2.gz CMONWZZAPLJVMA-UHFFFAOYSA-N 0 0 232.352 3.656 20 0 BHADRN Cc1cc(SC2CCCC2)nc(C(C)C)n1 ZINC000301064448 178218089 /nfs/dbraw/zinc/21/80/89/178218089.db2.gz OZSGURICJDSQBO-UHFFFAOYSA-N 0 0 236.384 3.943 20 0 BHADRN CC(C)CCN(C)c1ccc(C(F)(F)F)cn1 ZINC000301064545 386814982 /nfs/dbraw/zinc/81/49/82/386814982.db2.gz FNKOILFKVKZYDC-UHFFFAOYSA-N 0 0 246.276 3.583 20 0 BHADRN Cc1cc(Oc2ccc(F)cc2)nc(C(C)C)n1 ZINC000301064716 178214355 /nfs/dbraw/zinc/21/43/55/178214355.db2.gz GEAGQICFKRXFJK-UHFFFAOYSA-N 0 0 246.285 3.840 20 0 BHADRN CC[C@@H]1CCCN(c2cc(C)nc(C(C)C)n2)C1 ZINC000301065038 132250557 /nfs/dbraw/zinc/25/05/57/132250557.db2.gz DNZSGYXMKLNXQD-CYBMUJFWSA-N 0 0 247.386 3.535 20 0 BHADRN CC[C@H]1CCCN(c2cc(C)nc(C(C)C)n2)C1 ZINC000301065040 132250809 /nfs/dbraw/zinc/25/08/09/132250809.db2.gz DNZSGYXMKLNXQD-ZDUSSCGKSA-N 0 0 247.386 3.535 20 0 BHADRN C[C@@H](Nc1cnccn1)c1cccc2ccccc21 ZINC000301065777 386816415 /nfs/dbraw/zinc/81/64/15/386816415.db2.gz XLOMWSHSAFSJCY-GFCCVEGCSA-N 0 0 249.317 3.803 20 0 BHADRN C[C@H](Nc1cnccn1)c1cccc2ccccc21 ZINC000301065778 386816505 /nfs/dbraw/zinc/81/65/05/386816505.db2.gz XLOMWSHSAFSJCY-LBPRGKRZSA-N 0 0 249.317 3.803 20 0 BHADRN Cc1cc(Oc2ccc(Cl)c(C)c2)nc(C)n1 ZINC000301066692 178214753 /nfs/dbraw/zinc/21/47/53/178214753.db2.gz HGIDITKSIOGRMI-UHFFFAOYSA-N 0 0 248.713 3.848 20 0 BHADRN CN(Cc1cccc2ccccc21)c1ccccn1 ZINC000301068783 386815689 /nfs/dbraw/zinc/81/56/89/386815689.db2.gz GHAFHLZLTXCOBR-UHFFFAOYSA-N 0 0 248.329 3.871 20 0 BHADRN c1ccc(C2(CNc3ccccn3)CCC2)cc1 ZINC000301070986 183388080 /nfs/dbraw/zinc/38/80/80/183388080.db2.gz HXBBCPPVYLFGEQ-UHFFFAOYSA-N 0 0 238.334 3.615 20 0 BHADRN CCN(Cc1ccccc1)c1ncccc1Cl ZINC000301071110 169917290 /nfs/dbraw/zinc/91/72/90/169917290.db2.gz 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Cc1cc(SCc2ccccc2C)nc(C)n1 ZINC000301079347 178218208 /nfs/dbraw/zinc/21/82/08/178218208.db2.gz OYEDMOZMMLFOSO-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN CN(CCCCc1ccccc1)c1ccccn1 ZINC000301080077 386814567 /nfs/dbraw/zinc/81/45/67/386814567.db2.gz JQUVMZZSPHVHQS-UHFFFAOYSA-N 0 0 240.350 3.541 20 0 BHADRN CC[C@@H](Nc1cnccn1)c1ccc(Cl)cc1 ZINC000301082950 356497240 /nfs/dbraw/zinc/49/72/40/356497240.db2.gz NJJAJYLGIOETTO-GFCCVEGCSA-N 0 0 247.729 3.693 20 0 BHADRN CC[C@H](Nc1cnccn1)c1ccc(Cl)cc1 ZINC000301082952 171552064 /nfs/dbraw/zinc/55/20/64/171552064.db2.gz NJJAJYLGIOETTO-LBPRGKRZSA-N 0 0 247.729 3.693 20 0 BHADRN CC[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000301083009 132251335 /nfs/dbraw/zinc/25/13/35/132251335.db2.gz LITJUADYVSYAHX-CYBMUJFWSA-N 0 0 240.350 3.861 20 0 BHADRN CC[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000301083010 132251133 /nfs/dbraw/zinc/25/11/33/132251133.db2.gz LITJUADYVSYAHX-ZDUSSCGKSA-N 0 0 240.350 3.861 20 0 BHADRN CC[C@H]1CCCCN1c1ncccc1Cl ZINC000301083268 132251267 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LLEVRTDVWNPYLK-GFCCVEGCSA-N 0 0 247.386 3.535 20 0 BHADRN Cc1cc(N2CCC[C@H](C)CC2)nc(C(C)C)n1 ZINC000301093243 178116237 /nfs/dbraw/zinc/11/62/37/178116237.db2.gz LLEVRTDVWNPYLK-LBPRGKRZSA-N 0 0 247.386 3.535 20 0 BHADRN CCCCCSc1ncnc2sccc21 ZINC000301093856 386816538 /nfs/dbraw/zinc/81/65/38/386816538.db2.gz MOLOCPHVTUDXNR-UHFFFAOYSA-N 0 0 238.381 3.974 20 0 BHADRN CC(=O)c1c(F)cccc1NC[C@@H]1CC=CCC1 ZINC000301095318 386818258 /nfs/dbraw/zinc/81/82/58/386818258.db2.gz GQEIDQKOCUQZHP-GFCCVEGCSA-N 0 0 247.313 3.797 20 0 BHADRN CC(=O)c1c(F)cccc1NC[C@H]1CC=CCC1 ZINC000301095322 386818048 /nfs/dbraw/zinc/81/80/48/386818048.db2.gz GQEIDQKOCUQZHP-LBPRGKRZSA-N 0 0 247.313 3.797 20 0 BHADRN Cc1ccccc1Oc1nc2ccccc2o1 ZINC000301099011 179313989 /nfs/dbraw/zinc/31/39/89/179313989.db2.gz OEGDYUXDIHUEQH-UHFFFAOYSA-N 0 0 225.247 3.929 20 0 BHADRN CC[C@H](CNc1cccc(F)n1)c1ccccc1 ZINC000301099220 171441856 /nfs/dbraw/zinc/44/18/56/171441856.db2.gz NXHPXSZACQQNOY-GFCCVEGCSA-N 0 0 244.313 3.826 20 0 BHADRN CC[C@@H](CNc1cccc(F)n1)c1ccccc1 ZINC000301099223 170831161 /nfs/dbraw/zinc/83/11/61/170831161.db2.gz NXHPXSZACQQNOY-LBPRGKRZSA-N 0 0 244.313 3.826 20 0 BHADRN CN(CC1CC1)c1cc2ccccc2c(Cl)n1 ZINC000301101319 386817677 /nfs/dbraw/zinc/81/76/77/386817677.db2.gz QOHACCMDUJSUKL-UHFFFAOYSA-N 0 0 246.741 3.734 20 0 BHADRN Cc1cc(Oc2ccc(C)c(C)c2)nc(C)n1 ZINC000301102075 178214659 /nfs/dbraw/zinc/21/46/59/178214659.db2.gz YVEIGIUZIBYIIE-UHFFFAOYSA-N 0 0 228.295 3.503 20 0 BHADRN Clc1cccc(CCCNc2ccccn2)c1 ZINC000301107272 386817825 /nfs/dbraw/zinc/81/78/25/386817825.db2.gz QHWZJLSSMBSHAM-UHFFFAOYSA-N 0 0 246.741 3.780 20 0 BHADRN CCCN(C)c1cc2ccccc2c(Cl)n1 ZINC000301108633 169088769 /nfs/dbraw/zinc/08/87/69/169088769.db2.gz QPASXPYGUNCUHB-UHFFFAOYSA-N 0 0 234.730 3.734 20 0 BHADRN Cc1ccccc1CN(C)c1ncccc1Cl ZINC000301113408 179271935 /nfs/dbraw/zinc/27/19/35/179271935.db2.gz XIGYTDWKJHLXDH-UHFFFAOYSA-N 0 0 246.741 3.680 20 0 BHADRN c1ccc(NCCc2cccc3ccccc32)nc1 ZINC000301114530 183415671 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ZINC000301320582 386834686 /nfs/dbraw/zinc/83/46/86/386834686.db2.gz GEQWDPZXTVCMRU-OAHLLOKOSA-N 0 0 238.334 3.515 20 0 BHADRN CCCCNC(=O)CCCC1CCCCC1 ZINC000301324491 388842716 /nfs/dbraw/zinc/84/27/16/388842716.db2.gz LCMCFLAXDIBZLD-UHFFFAOYSA-N 0 0 225.376 3.653 20 0 BHADRN CC(C)CCNC(=O)CCCC1CCCCC1 ZINC000301325656 384006626 /nfs/dbraw/zinc/00/66/26/384006626.db2.gz VDOZAKOMBOSBPH-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN Cc1ccc(Oc2nccc(C)n2)c(Cl)c1 ZINC000301326080 386835003 /nfs/dbraw/zinc/83/50/03/386835003.db2.gz AXVHCXYEPPXVHJ-UHFFFAOYSA-N 0 0 234.686 3.539 20 0 BHADRN Cc1cccc([C@H](C)CNc2cccc(F)n2)c1 ZINC000301326711 179193572 /nfs/dbraw/zinc/19/35/72/179193572.db2.gz BIHNOAZWOPURGX-GFCCVEGCSA-N 0 0 244.313 3.745 20 0 BHADRN Cc1cccc([C@@H](C)CNc2cccc(F)n2)c1 ZINC000301326713 179179719 /nfs/dbraw/zinc/17/97/19/179179719.db2.gz BIHNOAZWOPURGX-LBPRGKRZSA-N 0 0 244.313 3.745 20 0 BHADRN Cc1ccc([C@@H](C)Nc2nc(C(C)C)no2)cc1 ZINC000301331797 386836366 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C[C@H](c1cc(F)ccc1F)N(C)c1ccccn1 ZINC000301506639 177031888 /nfs/dbraw/zinc/03/18/88/177031888.db2.gz HCLSIXIFPFHJOR-SNVBAGLBSA-N 0 0 248.276 3.557 20 0 BHADRN Clc1ccc2nccc(NCC3CC3)c2c1 ZINC000301506647 384889286 /nfs/dbraw/zinc/88/92/86/384889286.db2.gz HCUJIYUCHBPWNG-UHFFFAOYSA-N 0 0 232.714 3.710 20 0 BHADRN CC(C)(C)c1nccc(Oc2ccc(F)cc2)n1 ZINC000301506860 386851475 /nfs/dbraw/zinc/85/14/75/386851475.db2.gz BRWANZBKWAHBOM-UHFFFAOYSA-N 0 0 246.285 3.706 20 0 BHADRN Cc1ccc([C@@H](C)N(C)c2ccccn2)cc1 ZINC000301514127 386851578 /nfs/dbraw/zinc/85/15/78/386851578.db2.gz JGGZDOGBXLFTOX-CYBMUJFWSA-N 0 0 226.323 3.587 20 0 BHADRN Cc1ccc([C@H](C)N(C)c2ccccn2)cc1 ZINC000301514128 386851165 /nfs/dbraw/zinc/85/11/65/386851165.db2.gz JGGZDOGBXLFTOX-ZDUSSCGKSA-N 0 0 226.323 3.587 20 0 BHADRN CC(C)[C@H](C)Sc1ccnc(C(C)(C)C)n1 ZINC000301514626 386851131 /nfs/dbraw/zinc/85/11/31/386851131.db2.gz GDDHLECUKNLFME-JTQLQIEISA-N 0 0 238.400 3.911 20 0 BHADRN CC(C)[C@@H](C)Sc1ccnc(C(C)(C)C)n1 ZINC000301514628 167388995 /nfs/dbraw/zinc/38/89/95/167388995.db2.gz GDDHLECUKNLFME-SNVBAGLBSA-N 0 0 238.400 3.911 20 0 BHADRN CCC1(CNc2cccc(F)c2C(C)=O)CC1 ZINC000301516506 168483818 /nfs/dbraw/zinc/48/38/18/168483818.db2.gz CBQJVLXXTPJWLW-UHFFFAOYSA-N 0 0 235.302 3.630 20 0 BHADRN CC[C@@H](C)Nc1ccnc2ccsc21 ZINC000301516765 386850351 /nfs/dbraw/zinc/85/03/51/386850351.db2.gz FPQDYCGLNUESPR-MRVPVSSYSA-N 0 0 206.314 3.507 20 0 BHADRN CC[C@H](C)Nc1ccnc2ccsc21 ZINC000301516767 171350261 /nfs/dbraw/zinc/35/02/61/171350261.db2.gz FPQDYCGLNUESPR-QMMMGPOBSA-N 0 0 206.314 3.507 20 0 BHADRN CCCN(C)c1ncc(-c2ccccc2)s1 ZINC000301518267 169090547 /nfs/dbraw/zinc/09/05/47/169090547.db2.gz MGONNXMHAYWKJT-UHFFFAOYSA-N 0 0 232.352 3.656 20 0 BHADRN CC[C@@H](C)CN(C)c1cc(C(F)(F)F)ccn1 ZINC000301518316 386850576 /nfs/dbraw/zinc/85/05/76/386850576.db2.gz MJHUYDKLXKDKGY-SECBINFHSA-N 0 0 246.276 3.583 20 0 BHADRN CC[C@H](C)CN(C)c1cc(C(F)(F)F)ccn1 ZINC000301518317 171276162 /nfs/dbraw/zinc/27/61/62/171276162.db2.gz MJHUYDKLXKDKGY-VIFPVBQESA-N 0 0 246.276 3.583 20 0 BHADRN Fc1cccc(N2CCC[C@@H]2c2ccccc2)n1 ZINC000301520590 187205810 /nfs/dbraw/zinc/20/58/10/187205810.db2.gz LCCIMKINIFRSHL-CYBMUJFWSA-N 0 0 242.297 3.562 20 0 BHADRN Fc1cccc(N2CCC[C@H]2c2ccccc2)n1 ZINC000301520593 386850419 /nfs/dbraw/zinc/85/04/19/386850419.db2.gz LCCIMKINIFRSHL-ZDUSSCGKSA-N 0 0 242.297 3.562 20 0 BHADRN CCCOC1(CNc2ccccn2)CCCCC1 ZINC000301524201 169301262 /nfs/dbraw/zinc/30/12/62/169301262.db2.gz IDXMRHIPFAYPCH-UHFFFAOYSA-N 0 0 248.370 3.623 20 0 BHADRN CC[C@@H]1CCCCN1c1ccnc(C(C)(C)C)n1 ZINC000301524227 132254472 /nfs/dbraw/zinc/25/44/72/132254472.db2.gz IEXGSWUHKVRYSK-GFCCVEGCSA-N 0 0 247.386 3.543 20 0 BHADRN CC[C@H]1CCCCN1c1ccnc(C(C)(C)C)n1 ZINC000301524228 132254557 /nfs/dbraw/zinc/25/45/57/132254557.db2.gz IEXGSWUHKVRYSK-LBPRGKRZSA-N 0 0 247.386 3.543 20 0 BHADRN Cc1ccccc1Oc1ccnc(C(C)(C)C)n1 ZINC000301525308 179313984 /nfs/dbraw/zinc/31/39/84/179313984.db2.gz IQHZQKPVEYVOAJ-UHFFFAOYSA-N 0 0 242.322 3.875 20 0 BHADRN CC(=O)c1c(F)cccc1NC(C1CC1)C1CC1 ZINC000301527928 386852713 /nfs/dbraw/zinc/85/27/13/386852713.db2.gz OCDLYMRGUOPKCQ-UHFFFAOYSA-N 0 0 247.313 3.629 20 0 BHADRN Cc1cccc([C@@H]2CCCN2c2ccccn2)c1 ZINC000301531796 179190190 /nfs/dbraw/zinc/19/01/90/179190190.db2.gz PQOHMJDUIIHTMI-HNNXBMFYSA-N 0 0 238.334 3.732 20 0 BHADRN Cc1cccc([C@H]2CCCN2c2ccccn2)c1 ZINC000301531797 179204563 /nfs/dbraw/zinc/20/45/63/179204563.db2.gz PQOHMJDUIIHTMI-OAHLLOKOSA-N 0 0 238.334 3.732 20 0 BHADRN CN(c1ccnc2ccc(Cl)cc21)C1CCC1 ZINC000301532210 386853479 /nfs/dbraw/zinc/85/34/79/386853479.db2.gz KIVWVBPLGPADHW-UHFFFAOYSA-N 0 0 246.741 3.877 20 0 BHADRN CC(C)(C)c1nccc(NC2CCCCC2)n1 ZINC000301533392 187371619 /nfs/dbraw/zinc/37/16/19/187371619.db2.gz LVVPMGSPVRHHFC-UHFFFAOYSA-N 0 0 233.359 3.519 20 0 BHADRN CN(c1cc2ccccc2c(Cl)n1)C1CCC1 ZINC000301535495 386854036 /nfs/dbraw/zinc/85/40/36/386854036.db2.gz LLSAFOIIACIKJY-UHFFFAOYSA-N 0 0 246.741 3.877 20 0 BHADRN C[C@H]1CCCCN1c1ccnc2ccsc21 ZINC000301537451 132254552 /nfs/dbraw/zinc/25/45/52/132254552.db2.gz NAVRZFPYESECFY-JTQLQIEISA-N 0 0 232.352 3.675 20 0 BHADRN C[C@@H]1CCCCN1c1ccnc2ccsc21 ZINC000301537452 132254394 /nfs/dbraw/zinc/25/43/94/132254394.db2.gz NAVRZFPYESECFY-SNVBAGLBSA-N 0 0 232.352 3.675 20 0 BHADRN Cc1cccc2ncnc(NCC3(C)CCC3)c12 ZINC000301537484 179232887 /nfs/dbraw/zinc/23/28/87/179232887.db2.gz JDJTZAKKGVWQEN-UHFFFAOYSA-N 0 0 241.338 3.540 20 0 BHADRN CC1(C)CCCN(c2ccncc2Cl)CC1 ZINC000301537508 386852380 /nfs/dbraw/zinc/85/23/80/386852380.db2.gz JDZRPROCPUUYPQ-UHFFFAOYSA-N 0 0 238.762 3.752 20 0 BHADRN Clc1cnccc1NC[C@H]1CC=CCC1 ZINC000301538942 384890062 /nfs/dbraw/zinc/89/00/62/384890062.db2.gz UTYJOLXGXKWXSL-JTQLQIEISA-N 0 0 222.719 3.503 20 0 BHADRN Clc1cnccc1NC[C@@H]1CC=CCC1 ZINC000301538943 384891294 /nfs/dbraw/zinc/89/12/94/384891294.db2.gz UTYJOLXGXKWXSL-SNVBAGLBSA-N 0 0 222.719 3.503 20 0 BHADRN Cc1nsc(N[C@@H](c2ccccc2)C(C)C)n1 ZINC000301539241 180522695 /nfs/dbraw/zinc/52/26/95/180522695.db2.gz 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BHADRN CCS[C@@H]1CCCC[C@@H]1Nc1ccccn1 ZINC000301543040 384890369 /nfs/dbraw/zinc/89/03/69/384890369.db2.gz KKORUFKQXLKWGJ-NWDGAFQWSA-N 0 0 236.384 3.558 20 0 BHADRN CCS[C@H]1CCCC[C@@H]1Nc1ccccn1 ZINC000301543042 384890980 /nfs/dbraw/zinc/89/09/80/384890980.db2.gz KKORUFKQXLKWGJ-RYUDHWBXSA-N 0 0 236.384 3.558 20 0 BHADRN CCS[C@@H]1CCCC[C@H]1Nc1ccccn1 ZINC000301543044 384891504 /nfs/dbraw/zinc/89/15/04/384891504.db2.gz KKORUFKQXLKWGJ-VXGBXAGGSA-N 0 0 236.384 3.558 20 0 BHADRN CC(C)C[C@@H](Nc1ncccn1)c1cccs1 ZINC000301544508 386853449 /nfs/dbraw/zinc/85/34/49/386853449.db2.gz KRISIZXGRRTWTG-LLVKDONJSA-N 0 0 247.367 3.737 20 0 BHADRN CC(C)C[C@H](Nc1ncccn1)c1cccs1 ZINC000301544509 187545413 /nfs/dbraw/zinc/54/54/13/187545413.db2.gz KRISIZXGRRTWTG-NSHDSACASA-N 0 0 247.367 3.737 20 0 BHADRN CC(C)(C)C[C@H]1CCCN1c1ncccc1F ZINC000301545086 386853688 /nfs/dbraw/zinc/85/36/88/386853688.db2.gz DIYCAHRSLOZVJD-LLVKDONJSA-N 0 0 236.334 3.626 20 0 BHADRN CC(C)(C)C[C@@H]1CCCN1c1ncccc1F ZINC000301545089 166601538 /nfs/dbraw/zinc/60/15/38/166601538.db2.gz DIYCAHRSLOZVJD-NSHDSACASA-N 0 0 236.334 3.626 20 0 BHADRN Cc1cccc2ncnc(N[C@@H]3CCC[C@@H]3C)c12 ZINC000301547181 179233115 /nfs/dbraw/zinc/23/31/15/179233115.db2.gz PSAAIVZXUWTJTF-CMPLNLGQSA-N 0 0 241.338 3.539 20 0 BHADRN Cc1cccc2ncnc(N[C@H]3CCC[C@@H]3C)c12 ZINC000301547182 179233284 /nfs/dbraw/zinc/23/32/84/179233284.db2.gz PSAAIVZXUWTJTF-JQWIXIFHSA-N 0 0 241.338 3.539 20 0 BHADRN Cc1cccc2ncnc(N[C@H]3CCC[C@H]3C)c12 ZINC000301547183 179232898 /nfs/dbraw/zinc/23/28/98/179232898.db2.gz PSAAIVZXUWTJTF-PWSUYJOCSA-N 0 0 241.338 3.539 20 0 BHADRN Cc1cccc2ncnc(N[C@@H]3CCC[C@H]3C)c12 ZINC000301547184 179233275 /nfs/dbraw/zinc/23/32/75/179233275.db2.gz PSAAIVZXUWTJTF-ZYHUDNBSSA-N 0 0 241.338 3.539 20 0 BHADRN Fc1cccnc1N[C@@H](c1ccccc1)C1CC1 ZINC000301547744 181015730 /nfs/dbraw/zinc/01/57/30/181015730.db2.gz FEMMGZJKAXQKER-AWEZNQCLSA-N 0 0 242.297 3.784 20 0 BHADRN Fc1cccnc1N[C@H](c1ccccc1)C1CC1 ZINC000301547745 181017518 /nfs/dbraw/zinc/01/75/18/181017518.db2.gz FEMMGZJKAXQKER-CQSZACIVSA-N 0 0 242.297 3.784 20 0 BHADRN CN(c1ccnc2cc(Cl)ccc21)C1CCC1 ZINC000301548723 386852585 /nfs/dbraw/zinc/85/25/85/386852585.db2.gz PYHUPEJQDMLNSN-UHFFFAOYSA-N 0 0 246.741 3.877 20 0 BHADRN CN(c1ncc(-c2ccccc2)s1)C1CCC1 ZINC000301549464 172954027 /nfs/dbraw/zinc/95/40/27/172954027.db2.gz QBRSMBLEFIZSRX-UHFFFAOYSA-N 0 0 244.363 3.799 20 0 BHADRN CC(C)CCN(C)c1cc(C(F)(F)F)ccn1 ZINC000301549663 386852781 /nfs/dbraw/zinc/85/27/81/386852781.db2.gz XWBOMTSLZDLGJE-UHFFFAOYSA-N 0 0 246.276 3.583 20 0 BHADRN CC[C@H](CNc1ncccc1F)c1ccccc1 ZINC000301551326 171441877 /nfs/dbraw/zinc/44/18/77/171441877.db2.gz GBOPDPUQOHDGNP-GFCCVEGCSA-N 0 0 244.313 3.826 20 0 BHADRN CC[C@@H](CNc1ncccc1F)c1ccccc1 ZINC000301551328 386853801 /nfs/dbraw/zinc/85/38/01/386853801.db2.gz GBOPDPUQOHDGNP-LBPRGKRZSA-N 0 0 244.313 3.826 20 0 BHADRN CCS[C@H]1CCC[C@@H](Nc2ccccn2)C1 ZINC000301553009 384893291 /nfs/dbraw/zinc/89/32/91/384893291.db2.gz RKPPYKKZUIFBJB-NEPJUHHUSA-N 0 0 236.384 3.558 20 0 BHADRN CCS[C@@H]1CCC[C@H](Nc2ccccn2)C1 ZINC000301553012 384893389 /nfs/dbraw/zinc/89/33/89/384893389.db2.gz RKPPYKKZUIFBJB-NWDGAFQWSA-N 0 0 236.384 3.558 20 0 BHADRN CCS[C@H]1CCC[C@H](Nc2ccccn2)C1 ZINC000301553015 384894969 /nfs/dbraw/zinc/89/49/69/384894969.db2.gz RKPPYKKZUIFBJB-RYUDHWBXSA-N 0 0 236.384 3.558 20 0 BHADRN CCS[C@@H]1CCC[C@@H](Nc2ccccn2)C1 ZINC000301553018 384893906 /nfs/dbraw/zinc/89/39/06/384893906.db2.gz RKPPYKKZUIFBJB-VXGBXAGGSA-N 0 0 236.384 3.558 20 0 BHADRN C[C@@H](c1ccc(F)cc1)N(C)c1cccc(F)n1 ZINC000301553637 176016245 /nfs/dbraw/zinc/01/62/45/176016245.db2.gz WAIRSUGTFHYMKP-JTQLQIEISA-N 0 0 248.276 3.557 20 0 BHADRN C[C@H](c1ccc(F)cc1)N(C)c1cccc(F)n1 ZINC000301553639 177034219 /nfs/dbraw/zinc/03/42/19/177034219.db2.gz WAIRSUGTFHYMKP-SNVBAGLBSA-N 0 0 248.276 3.557 20 0 BHADRN CC(=O)c1c(F)cccc1NCC1(C(C)C)CC1 ZINC000301554237 386852728 /nfs/dbraw/zinc/85/27/28/386852728.db2.gz IBSLJWHTKPVANL-UHFFFAOYSA-N 0 0 249.329 3.876 20 0 BHADRN Cc1ccc([C@@H](C)N(C)c2cccc(F)n2)cc1 ZINC000301558960 178833444 /nfs/dbraw/zinc/83/34/44/178833444.db2.gz XIQZRQXVZBEUSC-GFCCVEGCSA-N 0 0 244.313 3.727 20 0 BHADRN Cc1ccc([C@H](C)N(C)c2cccc(F)n2)cc1 ZINC000301558962 386856185 /nfs/dbraw/zinc/85/61/85/386856185.db2.gz XIQZRQXVZBEUSC-LBPRGKRZSA-N 0 0 244.313 3.727 20 0 BHADRN C[C@H](c1cccc(Cl)c1)N(C)c1ccccn1 ZINC000301560791 177036497 /nfs/dbraw/zinc/03/64/97/177036497.db2.gz XYWPVZQACUKHQX-LLVKDONJSA-N 0 0 246.741 3.932 20 0 BHADRN C[C@@H](c1cccc(Cl)c1)N(C)c1ccccn1 ZINC000301560792 176018015 /nfs/dbraw/zinc/01/80/15/176018015.db2.gz XYWPVZQACUKHQX-NSHDSACASA-N 0 0 246.741 3.932 20 0 BHADRN Cc1cc2ccccc2nc1N1CCC[C@@H](C)C1 ZINC000301561143 132254934 /nfs/dbraw/zinc/25/49/34/132254934.db2.gz KJYSFKPHCLOVPL-GFCCVEGCSA-N 0 0 240.350 3.780 20 0 BHADRN Cc1cc2ccccc2nc1N1CCC[C@H](C)C1 ZINC000301561145 132254953 /nfs/dbraw/zinc/25/49/53/132254953.db2.gz KJYSFKPHCLOVPL-LBPRGKRZSA-N 0 0 240.350 3.780 20 0 BHADRN Cc1cc(C)cc(CSc2cc(C)ncn2)c1 ZINC000301562044 386856304 /nfs/dbraw/zinc/85/63/04/386856304.db2.gz KSIUGPLXVPWBDJ-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1ccc(CNc2ncccc2Cl)c(C)c1 ZINC000301562708 386856809 /nfs/dbraw/zinc/85/68/09/386856809.db2.gz KZVOLYAFFHIJKA-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN CC(C)(C)c1nccc(NC[C@@H]2CC=CCC2)n1 ZINC000301563187 187206531 /nfs/dbraw/zinc/20/65/31/187206531.db2.gz YKUKZEGFTPNBPS-GFCCVEGCSA-N 0 0 245.370 3.542 20 0 BHADRN CC(C)(C)c1nccc(NC[C@H]2CC=CCC2)n1 ZINC000301563190 187371370 /nfs/dbraw/zinc/37/13/70/187371370.db2.gz YKUKZEGFTPNBPS-LBPRGKRZSA-N 0 0 245.370 3.542 20 0 BHADRN CC(C)C1CCN(c2ccncc2Cl)CC1 ZINC000301564229 132254819 /nfs/dbraw/zinc/25/48/19/132254819.db2.gz PLILRVQUAZGEDL-UHFFFAOYSA-N 0 0 238.762 3.607 20 0 BHADRN CC(C)(C)c1nccc(Nc2ccccc2)n1 ZINC000301566299 386856270 /nfs/dbraw/zinc/85/62/70/386856270.db2.gz VSLUGQKWZMFNQT-UHFFFAOYSA-N 0 0 227.311 3.518 20 0 BHADRN Fc1cccnc1N1CCC[C@H]1C1CCCCC1 ZINC000301567443 181015949 /nfs/dbraw/zinc/01/59/49/181015949.db2.gz KXHLRTSKSRTBMK-AWEZNQCLSA-N 0 0 248.345 3.770 20 0 BHADRN Fc1cccnc1N1CCC[C@@H]1C1CCCCC1 ZINC000301567446 181016073 /nfs/dbraw/zinc/01/60/73/181016073.db2.gz KXHLRTSKSRTBMK-CQSZACIVSA-N 0 0 248.345 3.770 20 0 BHADRN Cc1cc2ccccc2nc1N1CCCCCC1 ZINC000301568258 178298749 /nfs/dbraw/zinc/29/87/49/178298749.db2.gz MYRAUIQUWHNPPH-UHFFFAOYSA-N 0 0 240.350 3.924 20 0 BHADRN CC1(C)CCCN(c2ncccc2Cl)CC1 ZINC000301568673 386665802 /nfs/dbraw/zinc/66/58/02/386665802.db2.gz NJXIAYCBSRBOPH-UHFFFAOYSA-N 0 0 238.762 3.752 20 0 BHADRN CC(=O)c1c(F)cccc1NCCC1CCC1 ZINC000301569336 166433752 /nfs/dbraw/zinc/43/37/52/166433752.db2.gz NNUWLONDIKSEQN-UHFFFAOYSA-N 0 0 235.302 3.630 20 0 BHADRN CC[C@@H](C)CSc1ncnc2sccc21 ZINC000301570268 386855792 /nfs/dbraw/zinc/85/57/92/386855792.db2.gz NUCLUKDYMKIUMM-MRVPVSSYSA-N 0 0 238.381 3.830 20 0 BHADRN CC[C@H](C)CSc1ncnc2sccc21 ZINC000301570269 171293088 /nfs/dbraw/zinc/29/30/88/171293088.db2.gz NUCLUKDYMKIUMM-QMMMGPOBSA-N 0 0 238.381 3.830 20 0 BHADRN c1nc(NCC2CC2)sc1-c1ccccc1 ZINC000301572748 183381254 /nfs/dbraw/zinc/38/12/54/183381254.db2.gz LHBDUGXZSQVGGS-UHFFFAOYSA-N 0 0 230.336 3.632 20 0 BHADRN Cc1nc2c(c(SC3CCCC3)n1)CCCC2 ZINC000301573464 180070530 /nfs/dbraw/zinc/07/05/30/180070530.db2.gz PAVHQBHVKYLROZ-UHFFFAOYSA-N 0 0 248.395 3.699 20 0 BHADRN C[C@@H]1CCCCCN1c1ccnc(C(C)(C)C)n1 ZINC000301573479 176064106 /nfs/dbraw/zinc/06/41/06/176064106.db2.gz LPAKJWZONAEHER-GFCCVEGCSA-N 0 0 247.386 3.543 20 0 BHADRN C[C@H]1CCCCCN1c1ccnc(C(C)(C)C)n1 ZINC000301573482 177070121 /nfs/dbraw/zinc/07/01/21/177070121.db2.gz LPAKJWZONAEHER-LBPRGKRZSA-N 0 0 247.386 3.543 20 0 BHADRN CC[C@H]1CCN(c2nc3ccccc3s2)C1 ZINC000301574298 386855350 /nfs/dbraw/zinc/85/53/50/386855350.db2.gz PTHBVYDFENBQCQ-JTQLQIEISA-N 0 0 232.352 3.533 20 0 BHADRN CC[C@@H]1CCN(c2nc3ccccc3s2)C1 ZINC000301574299 171015792 /nfs/dbraw/zinc/01/57/92/171015792.db2.gz PTHBVYDFENBQCQ-SNVBAGLBSA-N 0 0 232.352 3.533 20 0 BHADRN CC[C@H]1CCN(c2ccnc3ccsc32)C1 ZINC000301575058 386857213 /nfs/dbraw/zinc/85/72/13/386857213.db2.gz QFRHSGXYUVIYEC-JTQLQIEISA-N 0 0 232.352 3.533 20 0 BHADRN CC[C@@H]1CCN(c2ccnc3ccsc32)C1 ZINC000301575060 171013342 /nfs/dbraw/zinc/01/33/42/171013342.db2.gz QFRHSGXYUVIYEC-SNVBAGLBSA-N 0 0 232.352 3.533 20 0 BHADRN C[C@@H](c1ccc(F)cc1)N(C)c1ncccc1F ZINC000301576931 176015827 /nfs/dbraw/zinc/01/58/27/176015827.db2.gz NWIMCBWRSXPLAD-JTQLQIEISA-N 0 0 248.276 3.557 20 0 BHADRN C[C@H](c1ccc(F)cc1)N(C)c1ncccc1F ZINC000301576932 177034283 /nfs/dbraw/zinc/03/42/83/177034283.db2.gz NWIMCBWRSXPLAD-SNVBAGLBSA-N 0 0 248.276 3.557 20 0 BHADRN Cc1ccc(SCCOC(C)C)c(C)c1 ZINC000301577656 369377698 /nfs/dbraw/zinc/37/76/98/369377698.db2.gz AMPOQMLVQSSNDP-UHFFFAOYSA-N 0 0 224.369 3.821 20 0 BHADRN COc1ccccc1OC/C=C/c1ccccc1 ZINC000301577860 388844058 /nfs/dbraw/zinc/84/40/58/388844058.db2.gz BPQHOQMPBIUFIN-JXMROGBWSA-N 0 0 240.302 3.787 20 0 BHADRN Cc1cc(C)cc(CSc2nccc(C)n2)c1 ZINC000301578704 187206049 /nfs/dbraw/zinc/20/60/49/187206049.db2.gz RZGHBSWGLPXIRB-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cc(C)cc(C(=O)N[C@@H](C)CCC(C)C)c1 ZINC000301578834 369377748 /nfs/dbraw/zinc/37/77/48/369377748.db2.gz DQRPFESMDCSZFP-AWEZNQCLSA-N 0 0 247.382 3.858 20 0 BHADRN Cc1cc(C)cc(C(=O)N[C@H](C)CCC(C)C)c1 ZINC000301578835 369377669 /nfs/dbraw/zinc/37/76/69/369377669.db2.gz DQRPFESMDCSZFP-CQSZACIVSA-N 0 0 247.382 3.858 20 0 BHADRN Cc1cccc2ncnc(NCCC3CCC3)c12 ZINC000301579394 179232629 /nfs/dbraw/zinc/23/26/29/179232629.db2.gz SFWOVKIANYYFQU-UHFFFAOYSA-N 0 0 241.338 3.540 20 0 BHADRN Cc1ccc(C)c(SCCOC(C)C)c1 ZINC000301580647 388614750 /nfs/dbraw/zinc/61/47/50/388614750.db2.gz KNQXZFWTBBAYGR-UHFFFAOYSA-N 0 0 224.369 3.821 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)CC1CCCCC1 ZINC000301580705 388614656 /nfs/dbraw/zinc/61/46/56/388614656.db2.gz LXCANHGEUMSFKV-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)CC1CCCCC1 ZINC000301580706 388614826 /nfs/dbraw/zinc/61/48/26/388614826.db2.gz 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/nfs/dbraw/zinc/29/89/52/178298952.db2.gz HBXQLVYMQHGYQK-CHWSQXEVSA-N 0 0 240.350 3.635 20 0 BHADRN Cc1cc2ccccc2nc1N1C[C@H](C)[C@@H](C)C1 ZINC000301708457 178298860 /nfs/dbraw/zinc/29/88/60/178298860.db2.gz HBXQLVYMQHGYQK-STQMWFEESA-N 0 0 240.350 3.635 20 0 BHADRN Cc1cc(NC2CC=CC2)c2cccc(F)c2n1 ZINC000301708847 178154886 /nfs/dbraw/zinc/15/48/86/178154886.db2.gz JMHGPEJZAPUQJX-UHFFFAOYSA-N 0 0 242.297 3.813 20 0 BHADRN CC(C)c1nnc(N[C@@H]2CCCC[C@H]2C)s1 ZINC000301710093 384911720 /nfs/dbraw/zinc/91/17/20/384911720.db2.gz XINWWVVBLKFIBW-NXEZZACHSA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)c1nnc(N[C@H]2CCCC[C@@H]2C)s1 ZINC000301710095 384913167 /nfs/dbraw/zinc/91/31/67/384913167.db2.gz XINWWVVBLKFIBW-UWVGGRQHSA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)c1nnc(N[C@@H]2CCCC[C@@H]2C)s1 ZINC000301710097 384913727 /nfs/dbraw/zinc/91/37/27/384913727.db2.gz XINWWVVBLKFIBW-VHSXEESVSA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)c1nnc(N[C@H]2CCCC[C@H]2C)s1 ZINC000301710098 384913486 /nfs/dbraw/zinc/91/34/86/384913486.db2.gz XINWWVVBLKFIBW-ZJUUUORDSA-N 0 0 239.388 3.652 20 0 BHADRN CCCCCNc1nc(C(F)(F)F)cs1 ZINC000301712586 384914185 /nfs/dbraw/zinc/91/41/85/384914185.db2.gz IMGYMGGTBFMFRY-UHFFFAOYSA-N 0 0 238.278 3.764 20 0 BHADRN Cc1nc(C)c(C)c(Oc2ccc(C)c(C)c2)n1 ZINC000301713339 386671984 /nfs/dbraw/zinc/67/19/84/386671984.db2.gz YTRZIJYXWUXOQM-UHFFFAOYSA-N 0 0 242.322 3.811 20 0 BHADRN Cc1nc(C)c(C)c(Oc2ccc(Cl)cc2)n1 ZINC000301713409 386869584 /nfs/dbraw/zinc/86/95/84/386869584.db2.gz YYEKRMMBVLGYQU-UHFFFAOYSA-N 0 0 248.713 3.848 20 0 BHADRN CC(C)c1nnc(NCC2(C)CCCC2)s1 ZINC000301715939 384914154 /nfs/dbraw/zinc/91/41/54/384914154.db2.gz GTUUNAMERYMOAI-UHFFFAOYSA-N 0 0 239.388 3.654 20 0 BHADRN CCC(CC)CNc1nnc(C(C)C)s1 ZINC000301718004 168365596 /nfs/dbraw/zinc/36/55/96/168365596.db2.gz HXDCDAIZOLRLIM-UHFFFAOYSA-N 0 0 227.377 3.510 20 0 BHADRN CCc1ccc(NC(=O)NC2CCCC2)cc1C ZINC000301719205 529680637 /nfs/dbraw/zinc/68/06/37/529680637.db2.gz APPMATUJSZETOZ-UHFFFAOYSA-N 0 0 246.354 3.622 20 0 BHADRN CCc1ccc(NC(=O)N2CCCCC2)cc1C ZINC000301719304 592537420 /nfs/dbraw/zinc/53/74/20/592537420.db2.gz FLSWAJHGUBENMS-UHFFFAOYSA-N 0 0 246.354 3.575 20 0 BHADRN CC(C)(C)c1nnc(NC2CCCCC2)s1 ZINC000301719513 188336842 /nfs/dbraw/zinc/33/68/42/188336842.db2.gz LZSWJBTVJQXFAJ-UHFFFAOYSA-N 0 0 239.388 3.580 20 0 BHADRN CCc1ccc(NCc2cccn2C)cc1C ZINC000301719660 529688906 /nfs/dbraw/zinc/68/89/06/529688906.db2.gz KAOBBBQDUIRZCU-UHFFFAOYSA-N 0 0 228.339 3.508 20 0 BHADRN CCc1ccc(NCc2ccccn2)cc1C ZINC000301719661 171820781 /nfs/dbraw/zinc/82/07/81/171820781.db2.gz KBOBVTHPZGNQLS-UHFFFAOYSA-N 0 0 226.323 3.565 20 0 BHADRN CCc1ccc(NCc2c(C)noc2C)cc1C ZINC000301719689 385398084 /nfs/dbraw/zinc/39/80/84/385398084.db2.gz MFDISGTVKLNYFQ-UHFFFAOYSA-N 0 0 244.338 3.774 20 0 BHADRN CCc1ccc(NC(=O)c2cccs2)cc1C ZINC000301720052 529686971 /nfs/dbraw/zinc/68/69/71/529686971.db2.gz PXSKVMMRXQQHSD-UHFFFAOYSA-N 0 0 245.347 3.871 20 0 BHADRN CCc1ccc(NCc2nc(C)c(C)o2)cc1C ZINC000301720074 385398650 /nfs/dbraw/zinc/39/86/50/385398650.db2.gz RQSWSZOTEJIMGN-UHFFFAOYSA-N 0 0 244.338 3.774 20 0 BHADRN CCc1ccc(NC(=O)c2ccccc2)cc1C ZINC000301720093 529687116 /nfs/dbraw/zinc/68/71/16/529687116.db2.gz SKBUZYLLEVUGQX-UHFFFAOYSA-N 0 0 239.318 3.810 20 0 BHADRN CCc1ccc(NCCCCCCO)cc1C ZINC000301720114 592537347 /nfs/dbraw/zinc/53/73/47/592537347.db2.gz TUIIZXGWGIKYMH-UHFFFAOYSA-N 0 0 235.371 3.522 20 0 BHADRN CCc1ccc(NCc2csc(C)n2)cc1C ZINC000301720194 385399903 /nfs/dbraw/zinc/39/99/03/385399903.db2.gz VWCYYTQBLGZKAB-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CCc1ccc(NCc2cnc(C)s2)cc1C ZINC000301720214 385400668 /nfs/dbraw/zinc/40/06/68/385400668.db2.gz WUGTWESAWXZIBU-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN Cc1cccc2c(N[C@H]3CCC[C@@H]3C)ncnc12 ZINC000301722703 179211968 /nfs/dbraw/zinc/21/19/68/179211968.db2.gz NSORYDOTSXVALL-GWCFXTLKSA-N 0 0 241.338 3.539 20 0 BHADRN Cc1cccc2c(N[C@@H]3CCC[C@@H]3C)ncnc12 ZINC000301722704 179212006 /nfs/dbraw/zinc/21/20/06/179212006.db2.gz NSORYDOTSXVALL-GXFFZTMASA-N 0 0 241.338 3.539 20 0 BHADRN Cc1cccc2c(N[C@H]3CCC[C@H]3C)ncnc12 ZINC000301722705 179212194 /nfs/dbraw/zinc/21/21/94/179212194.db2.gz NSORYDOTSXVALL-MFKMUULPSA-N 0 0 241.338 3.539 20 0 BHADRN Cc1cccc2c(N[C@@H]3CCC[C@H]3C)ncnc12 ZINC000301722706 179212554 /nfs/dbraw/zinc/21/25/54/179212554.db2.gz NSORYDOTSXVALL-ZWNOBZJWSA-N 0 0 241.338 3.539 20 0 BHADRN C1=C(CCNc2nnc(C3CC3)s2)CCCC1 ZINC000301724186 386872355 /nfs/dbraw/zinc/87/23/55/386872355.db2.gz LKSFPUKXSLFXAT-UHFFFAOYSA-N 0 0 249.383 3.718 20 0 BHADRN Cc1cccc(N(C)Cc2cccc(Cl)c2)n1 ZINC000301725436 179118172 /nfs/dbraw/zinc/11/81/72/179118172.db2.gz PPFPLIMZXGPZKW-UHFFFAOYSA-N 0 0 246.741 3.680 20 0 BHADRN CC(C)CCCNc1nnc(C(C)C)s1 ZINC000301726302 384914591 /nfs/dbraw/zinc/91/45/91/384914591.db2.gz MWHXIDUJSLZQSX-UHFFFAOYSA-N 0 0 227.377 3.510 20 0 BHADRN CCc1ccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000301727163 349986190 /nfs/dbraw/zinc/98/61/90/349986190.db2.gz FJWHXPAWNFJBFX-YWVIFJGQSA-N 0 0 247.382 3.925 20 0 BHADRN Cc1cccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000301728325 259328928 /nfs/dbraw/zinc/32/89/28/259328928.db2.gz NPZLDFIAOORIDM-ZSBIGDGJSA-N 0 0 237.318 3.502 20 0 BHADRN Cc1cccc(NCCOc2ccccc2)c1F ZINC000301728970 229262976 /nfs/dbraw/zinc/26/29/76/229262976.db2.gz SHUCWPCOMVESCD-UHFFFAOYSA-N 0 0 245.297 3.625 20 0 BHADRN CC(C)c1nnc(NCCC2CCCC2)s1 ZINC000301729083 384915269 /nfs/dbraw/zinc/91/52/69/384915269.db2.gz NYINZHIPPWWDCG-UHFFFAOYSA-N 0 0 239.388 3.654 20 0 BHADRN CCC(C)(C)Nc1nc(C(F)(F)F)cs1 ZINC000301731235 168302774 /nfs/dbraw/zinc/30/27/74/168302774.db2.gz PDHLXECOXIUIAW-UHFFFAOYSA-N 0 0 238.278 3.762 20 0 BHADRN CCOC1CC(Nc2ccc(CC)c(C)c2)C1 ZINC000301732222 386229653 /nfs/dbraw/zinc/22/96/53/386229653.db2.gz ADOIJCHNBMVFHP-UHFFFAOYSA-N 0 0 233.355 3.537 20 0 BHADRN CC[C@H](Nc1cccc(C)c1C)[C@H]1CCOC1 ZINC000301732269 386229364 /nfs/dbraw/zinc/22/93/64/386229364.db2.gz CTAXDFOBCYADRE-KBPBESRZSA-N 0 0 233.355 3.530 20 0 BHADRN CC[C@H](Nc1cccc(C)c1C)[C@@H]1CCOC1 ZINC000301732270 386229194 /nfs/dbraw/zinc/22/91/94/386229194.db2.gz CTAXDFOBCYADRE-KGLIPLIRSA-N 0 0 233.355 3.530 20 0 BHADRN CC[C@@H](Nc1cccc(C)c1C)[C@H]1CCOC1 ZINC000301732271 386229689 /nfs/dbraw/zinc/22/96/89/386229689.db2.gz CTAXDFOBCYADRE-UONOGXRCSA-N 0 0 233.355 3.530 20 0 BHADRN CC[C@@H](Nc1cccc(C)c1C)[C@@H]1CCOC1 ZINC000301732272 386229452 /nfs/dbraw/zinc/22/94/52/386229452.db2.gz CTAXDFOBCYADRE-ZIAGYGMSSA-N 0 0 233.355 3.530 20 0 BHADRN Cc1cc2ccccc2nc1N1CC[C@H](C)[C@@H]1C ZINC000301732868 178298740 /nfs/dbraw/zinc/29/87/40/178298740.db2.gz TWTIXVDHMQQYFK-AAEUAGOBSA-N 0 0 240.350 3.778 20 0 BHADRN Cc1cc2ccccc2nc1N1CC[C@@H](C)[C@H]1C ZINC000301732870 178299337 /nfs/dbraw/zinc/29/93/37/178299337.db2.gz TWTIXVDHMQQYFK-DGCLKSJQSA-N 0 0 240.350 3.778 20 0 BHADRN Cc1cc2ccccc2nc1N1CC[C@H](C)[C@H]1C ZINC000301732872 178299172 /nfs/dbraw/zinc/29/91/72/178299172.db2.gz TWTIXVDHMQQYFK-WCQYABFASA-N 0 0 240.350 3.778 20 0 BHADRN Cc1cc2ccccc2nc1N1CC[C@@H](C)[C@@H]1C ZINC000301732873 178299038 /nfs/dbraw/zinc/29/90/38/178299038.db2.gz TWTIXVDHMQQYFK-YPMHNXCESA-N 0 0 240.350 3.778 20 0 BHADRN CCc1ccc(N[C@H](C)c2cnccn2)cc1C ZINC000301733376 529689960 /nfs/dbraw/zinc/68/99/60/529689960.db2.gz MDVTYCGOLQEFOR-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1ccc(N[C@@H](C)c2cnccn2)cc1C ZINC000301733377 529689217 /nfs/dbraw/zinc/68/92/17/529689217.db2.gz MDVTYCGOLQEFOR-LBPRGKRZSA-N 0 0 241.338 3.521 20 0 BHADRN Cc1cc2ccccc2nc1N1CCC(C)(C)C1 ZINC000301737007 178298704 /nfs/dbraw/zinc/29/87/04/178298704.db2.gz VOAXXMNANNTORJ-UHFFFAOYSA-N 0 0 240.350 3.780 20 0 BHADRN FC(F)(F)c1csc(N[C@@H]2CC=CCC2)n1 ZINC000301738295 384918580 /nfs/dbraw/zinc/91/85/80/384918580.db2.gz CLCIIUDITJMUGA-SSDOTTSWSA-N 0 0 248.273 3.683 20 0 BHADRN FC(F)(F)c1csc(N[C@H]2CC=CCC2)n1 ZINC000301738296 384917038 /nfs/dbraw/zinc/91/70/38/384917038.db2.gz CLCIIUDITJMUGA-ZETCQYMHSA-N 0 0 248.273 3.683 20 0 BHADRN CC(C)C[C@H]1CCCCN1c1cccc(F)n1 ZINC000301738564 132256932 /nfs/dbraw/zinc/25/69/32/132256932.db2.gz JBVRODVDMSGZAE-GFCCVEGCSA-N 0 0 236.334 3.626 20 0 BHADRN CC(C)C[C@@H]1CCCCN1c1cccc(F)n1 ZINC000301738566 132256857 /nfs/dbraw/zinc/25/68/57/132256857.db2.gz JBVRODVDMSGZAE-LBPRGKRZSA-N 0 0 236.334 3.626 20 0 BHADRN Cc1cccc2c(NCC3(C)CCC3)ncnc12 ZINC000301739138 179210491 /nfs/dbraw/zinc/21/04/91/179210491.db2.gz WTHAICQWUDWPLD-UHFFFAOYSA-N 0 0 241.338 3.540 20 0 BHADRN CC(C)c1nnc(N[C@@H]2CCCC2(C)C)s1 ZINC000301739228 384917305 /nfs/dbraw/zinc/91/73/05/384917305.db2.gz CYNISSFPLMNBLH-SECBINFHSA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)c1nnc(N[C@H]2CCCC2(C)C)s1 ZINC000301739229 384916776 /nfs/dbraw/zinc/91/67/76/384916776.db2.gz CYNISSFPLMNBLH-VIFPVBQESA-N 0 0 239.388 3.652 20 0 BHADRN Cc1cccc2c(NCCC3CCC3)ncnc12 ZINC000301740734 179211146 /nfs/dbraw/zinc/21/11/46/179211146.db2.gz XONJPGCJNHZZKJ-UHFFFAOYSA-N 0 0 241.338 3.540 20 0 BHADRN CC(C)c1nnc(N[C@H]2CC[C@H](C)CC2)s1 ZINC000301740979 167712835 /nfs/dbraw/zinc/71/28/35/167712835.db2.gz UTCIQJJSMCVGLX-MGCOHNPYSA-N 0 0 239.388 3.652 20 0 BHADRN Cc1cccc(N(C)[C@H]2CCc3ccccc32)n1 ZINC000301741033 179118052 /nfs/dbraw/zinc/11/80/52/179118052.db2.gz XVBDQYNHEKSTGW-HNNXBMFYSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1cccc(N(C)[C@@H]2CCc3ccccc32)n1 ZINC000301741034 179118314 /nfs/dbraw/zinc/11/83/14/179118314.db2.gz XVBDQYNHEKSTGW-OAHLLOKOSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1cccc(N(C)Cc2ccc(Cl)cc2)n1 ZINC000301741761 179117070 /nfs/dbraw/zinc/11/70/70/179117070.db2.gz YHIQDTCOTXFBIT-UHFFFAOYSA-N 0 0 246.741 3.680 20 0 BHADRN CC[C@H]1CCCCN1c1ccncc1Cl ZINC000301743877 132224362 /nfs/dbraw/zinc/22/43/62/132224362.db2.gz ZKNZDTWXPZBTEK-JTQLQIEISA-N 0 0 224.735 3.504 20 0 BHADRN CC[C@@H]1CCCCN1c1ccncc1Cl ZINC000301743878 132256868 /nfs/dbraw/zinc/25/68/68/132256868.db2.gz ZKNZDTWXPZBTEK-SNVBAGLBSA-N 0 0 224.735 3.504 20 0 BHADRN FC(F)(F)c1csc(N[C@@H]2C=CCCC2)n1 ZINC000301745037 180897714 /nfs/dbraw/zinc/89/77/14/180897714.db2.gz GUPDNRRKRCLQDZ-SSDOTTSWSA-N 0 0 248.273 3.683 20 0 BHADRN FC(F)(F)c1csc(N[C@H]2C=CCCC2)n1 ZINC000301745039 384917946 /nfs/dbraw/zinc/91/79/46/384917946.db2.gz GUPDNRRKRCLQDZ-ZETCQYMHSA-N 0 0 248.273 3.683 20 0 BHADRN CC(C)C[C@H]1CCCCN1c1ncccc1F ZINC000301748080 132256758 /nfs/dbraw/zinc/25/67/58/132256758.db2.gz RPFIHKXRTMUXDY-GFCCVEGCSA-N 0 0 236.334 3.626 20 0 BHADRN CC(C)C[C@@H]1CCCCN1c1ncccc1F ZINC000301748081 132256793 /nfs/dbraw/zinc/25/67/93/132256793.db2.gz RPFIHKXRTMUXDY-LBPRGKRZSA-N 0 0 236.334 3.626 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1nnc(C(C)C)s1 ZINC000301748436 384917983 /nfs/dbraw/zinc/91/79/83/384917983.db2.gz HETJSSSQQWQREE-BDAKNGLRSA-N 0 0 227.377 3.508 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1nnc(C(C)C)s1 ZINC000301748440 171367931 /nfs/dbraw/zinc/36/79/31/171367931.db2.gz HETJSSSQQWQREE-DTWKUNHWSA-N 0 0 227.377 3.508 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1nnc(C(C)C)s1 ZINC000301748443 171392391 /nfs/dbraw/zinc/39/23/91/171392391.db2.gz HETJSSSQQWQREE-IUCAKERBSA-N 0 0 227.377 3.508 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1nnc(C(C)C)s1 ZINC000301748447 384917927 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/nfs/dbraw/zinc/25/98/36/132259836.db2.gz CBTXBLQAEHPBPX-CQSZACIVSA-N 0 0 247.386 3.580 20 0 BHADRN Cc1cncc(NCc2cccc3ccccc32)n1 ZINC000302083191 386900833 /nfs/dbraw/zinc/90/08/33/386900833.db2.gz DBRRMPKHRCSGNZ-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1cnc(N2CCC3(C2)CCCCC3)s1 ZINC000302086555 187546124 /nfs/dbraw/zinc/54/61/24/187546124.db2.gz FEXIEUFLKRTWET-UHFFFAOYSA-N 0 0 236.384 3.612 20 0 BHADRN Cc1cnc(N(Cc2ccccc2)C2CC2)s1 ZINC000302098789 386903960 /nfs/dbraw/zinc/90/39/60/386903960.db2.gz KIDUBCRBSOZHAX-UHFFFAOYSA-N 0 0 244.363 3.621 20 0 BHADRN Cc1cnc(N[C@@H]2CCc3ccccc32)s1 ZINC000302103740 384960743 /nfs/dbraw/zinc/96/07/43/384960743.db2.gz MKYVKCPUTQVAOA-GFCCVEGCSA-N 0 0 230.336 3.551 20 0 BHADRN Cc1cnc(N(C)[C@@H]2CCc3ccccc32)s1 ZINC000302109695 386904312 /nfs/dbraw/zinc/90/43/12/386904312.db2.gz OWVPZKYEDHLCLE-CYBMUJFWSA-N 0 0 244.363 3.575 20 0 BHADRN Cc1cnc(N(C)[C@H]2CCc3ccccc32)s1 ZINC000302109696 386904330 /nfs/dbraw/zinc/90/43/30/386904330.db2.gz OWVPZKYEDHLCLE-ZDUSSCGKSA-N 0 0 244.363 3.575 20 0 BHADRN CCC[C@@H]1CCCCN1c1ccnc(C2CC2)n1 ZINC000302112161 535411211 /nfs/dbraw/zinc/41/12/11/535411211.db2.gz AVAISDRLWVUZKY-CYBMUJFWSA-N 0 0 245.370 3.513 20 0 BHADRN CCC[C@H]1CCCCN1c1ccnc(C2CC2)n1 ZINC000302112162 132260569 /nfs/dbraw/zinc/26/05/69/132260569.db2.gz AVAISDRLWVUZKY-ZDUSSCGKSA-N 0 0 245.370 3.513 20 0 BHADRN Cc1cnc(N2CCC[C@@H]2C2CCCC2)s1 ZINC000302114519 386903520 /nfs/dbraw/zinc/90/35/20/386903520.db2.gz QXOXCVJKCORSGA-GFCCVEGCSA-N 0 0 236.384 3.611 20 0 BHADRN Cc1cnc(N2CCC[C@H]2C2CCCC2)s1 ZINC000302114521 386903266 /nfs/dbraw/zinc/90/32/66/386903266.db2.gz QXOXCVJKCORSGA-LBPRGKRZSA-N 0 0 236.384 3.611 20 0 BHADRN Cc1cnc(N[C@H](C)CCc2ccccc2)s1 ZINC000302114738 386904198 /nfs/dbraw/zinc/90/41/98/386904198.db2.gz BTVWZRKPSZTOLJ-LLVKDONJSA-N 0 0 246.379 3.885 20 0 BHADRN Cc1cnc(N[C@@H](C)CCc2ccccc2)s1 ZINC000302114739 386903155 /nfs/dbraw/zinc/90/31/55/386903155.db2.gz BTVWZRKPSZTOLJ-NSHDSACASA-N 0 0 246.379 3.885 20 0 BHADRN Cc1cc([C@@H](C)Nc2ncc(C)s2)c(C)o1 ZINC000302118007 178234883 /nfs/dbraw/zinc/23/48/83/178234883.db2.gz SGRAXJATBDKSCR-SECBINFHSA-N 0 0 236.340 3.834 20 0 BHADRN Cc1cc([C@H](C)Nc2ncc(C)s2)c(C)o1 ZINC000302118008 178260088 /nfs/dbraw/zinc/26/00/88/178260088.db2.gz SGRAXJATBDKSCR-VIFPVBQESA-N 0 0 236.340 3.834 20 0 BHADRN CCC[C@@H]1CCCCN1c1ccnc(C(C)C)n1 ZINC000302124519 535411398 /nfs/dbraw/zinc/41/13/98/535411398.db2.gz HTSKLTDFOHAYBZ-CYBMUJFWSA-N 0 0 247.386 3.759 20 0 BHADRN CCC[C@H]1CCCCN1c1ccnc(C(C)C)n1 ZINC000302124520 132260562 /nfs/dbraw/zinc/26/05/62/132260562.db2.gz HTSKLTDFOHAYBZ-ZDUSSCGKSA-N 0 0 247.386 3.759 20 0 BHADRN CCCCNc1nc(C)nc2scc(C)c21 ZINC000302137746 384956020 /nfs/dbraw/zinc/95/60/20/384956020.db2.gz FNQXTNBXIXTFQK-UHFFFAOYSA-N 0 0 235.356 3.520 20 0 BHADRN CCc1ccc(CNc2ncc(C)s2)s1 ZINC000302147877 171813546 /nfs/dbraw/zinc/81/35/46/171813546.db2.gz SBGPDKFEMMUVIK-UHFFFAOYSA-N 0 0 238.381 3.688 20 0 BHADRN CCCCN(C)c1nc(C)nc2scc(C)c21 ZINC000302152636 398174645 /nfs/dbraw/zinc/17/46/45/398174645.db2.gz MFJGQLGDQLWNIE-UHFFFAOYSA-N 0 0 249.383 3.544 20 0 BHADRN Cc1cncc(N[C@H](C)c2c(C)cccc2C)n1 ZINC000302154013 386908999 /nfs/dbraw/zinc/90/89/99/386908999.db2.gz MUBXTWAPTQULAC-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cncc(N[C@@H](C)c2c(C)cccc2C)n1 ZINC000302154014 386909337 /nfs/dbraw/zinc/90/93/37/386909337.db2.gz MUBXTWAPTQULAC-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN CCC[C@@]1(C)CCCN(c2nc(C)cnc2C)C1 ZINC000302158854 132260958 /nfs/dbraw/zinc/26/09/58/132260958.db2.gz ORHWEKBFDXHLBG-HNNXBMFYSA-N 0 0 247.386 3.500 20 0 BHADRN CCC[C@]1(C)CCCN(c2nc(C)cnc2C)C1 ZINC000302158855 132260905 /nfs/dbraw/zinc/26/09/05/132260905.db2.gz ORHWEKBFDXHLBG-OAHLLOKOSA-N 0 0 247.386 3.500 20 0 BHADRN CCc1cc(NCc2cnccc2C)ccc1C ZINC000302163029 350543655 /nfs/dbraw/zinc/54/36/55/350543655.db2.gz ANZSYUIMZUKAFK-UHFFFAOYSA-N 0 0 240.350 3.873 20 0 BHADRN CCc1ccc(N[C@@H]2CCC[C@@H](OC)C2)cc1C ZINC000302163102 490592374 /nfs/dbraw/zinc/59/23/74/490592374.db2.gz DATVEDOOFACNMU-GDBMZVCRSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1ccc(N[C@H]2CCC[C@@H](OC)C2)cc1C ZINC000302163103 490592890 /nfs/dbraw/zinc/59/28/90/490592890.db2.gz DATVEDOOFACNMU-GOEBONIOSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1ccc(N[C@H]2CCC[C@H](OC)C2)cc1C ZINC000302163104 490592768 /nfs/dbraw/zinc/59/27/68/490592768.db2.gz DATVEDOOFACNMU-HOCLYGCPSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1ccc(N[C@@H]2CCC[C@H](OC)C2)cc1C ZINC000302163105 490592386 /nfs/dbraw/zinc/59/23/86/490592386.db2.gz DATVEDOOFACNMU-ZBFHGGJFSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1cc(N[C@@H]2CCC[C@@H](OC)C2)ccc1C ZINC000302164940 490592318 /nfs/dbraw/zinc/59/23/18/490592318.db2.gz PRPDZWKRGMRNSL-GDBMZVCRSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1cc(N[C@H]2CCC[C@@H](OC)C2)ccc1C ZINC000302164942 490592304 /nfs/dbraw/zinc/59/23/04/490592304.db2.gz PRPDZWKRGMRNSL-GOEBONIOSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1cc(N[C@H]2CCC[C@H](OC)C2)ccc1C ZINC000302164944 490592560 /nfs/dbraw/zinc/59/25/60/490592560.db2.gz PRPDZWKRGMRNSL-HOCLYGCPSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1cc(N[C@@H]2CCC[C@H](OC)C2)ccc1C ZINC000302164946 490592739 /nfs/dbraw/zinc/59/27/39/490592739.db2.gz PRPDZWKRGMRNSL-ZBFHGGJFSA-N 0 0 247.382 3.927 20 0 BHADRN CCCC[C@@H](CCC)Nc1cncc(C)n1 ZINC000302168495 346602242 /nfs/dbraw/zinc/60/22/42/346602242.db2.gz SRFGLLCSCVXZCH-GFCCVEGCSA-N 0 0 221.348 3.556 20 0 BHADRN CCCC[C@H](CCC)Nc1cncc(C)n1 ZINC000302168497 169002506 /nfs/dbraw/zinc/00/25/06/169002506.db2.gz SRFGLLCSCVXZCH-LBPRGKRZSA-N 0 0 221.348 3.556 20 0 BHADRN FC(F)c1ccc(CNc2ccccn2)cc1 ZINC000302168639 386911470 /nfs/dbraw/zinc/91/14/70/386911470.db2.gz KPSQHJPRNMPRPF-UHFFFAOYSA-N 0 0 234.249 3.631 20 0 BHADRN Cc1ccc2[nH+]ccc(NCc3ccccn3)c2c1 ZINC000302171427 386911441 /nfs/dbraw/zinc/91/14/41/386911441.db2.gz UXPISIIQTQSJGU-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1nsc(NCCC2=CCCCCC2)n1 ZINC000302171830 384974708 /nfs/dbraw/zinc/97/47/08/384974708.db2.gz AMIGIUNPQMBHEL-UHFFFAOYSA-N 0 0 237.372 3.539 20 0 BHADRN Cc1csc2nc(C)nc(NC3CCCC3)c12 ZINC000302178147 180016021 /nfs/dbraw/zinc/01/60/21/180016021.db2.gz XFPYZDSSDAYISY-UHFFFAOYSA-N 0 0 247.367 3.663 20 0 BHADRN CN(C[C@@H]1CC=CCC1)c1ccnc(Cl)c1 ZINC000302190832 386912407 /nfs/dbraw/zinc/91/24/07/386912407.db2.gz VMLGGFGTZZGIQD-LLVKDONJSA-N 0 0 236.746 3.528 20 0 BHADRN CN(C[C@H]1CC=CCC1)c1ccnc(Cl)c1 ZINC000302190833 386913293 /nfs/dbraw/zinc/91/32/93/386913293.db2.gz VMLGGFGTZZGIQD-NSHDSACASA-N 0 0 236.746 3.528 20 0 BHADRN Cc1cncc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000302190840 386913557 /nfs/dbraw/zinc/91/35/57/386913557.db2.gz VMZAPPITRQKDGK-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1cncc(N[C@H](C)c2cccc(Cl)c2)n1 ZINC000302190841 386913137 /nfs/dbraw/zinc/91/31/37/386913137.db2.gz VMZAPPITRQKDGK-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN c1ccc(NCCC2=CCCCCC2)nc1 ZINC000302192318 191119489 /nfs/dbraw/zinc/11/94/89/191119489.db2.gz MDKWTHLBJIMBJW-UHFFFAOYSA-N 0 0 216.328 3.774 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CCCC[C@H]1C ZINC000302195720 528402198 /nfs/dbraw/zinc/40/21/98/528402198.db2.gz AIPZRZFJLSMIRH-NEPJUHHUSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCCC[C@@H]1C ZINC000302195721 386596470 /nfs/dbraw/zinc/59/64/70/386596470.db2.gz AIPZRZFJLSMIRH-NWDGAFQWSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CCCC[C@@H]1C ZINC000302195722 386597348 /nfs/dbraw/zinc/59/73/48/386597348.db2.gz AIPZRZFJLSMIRH-RYUDHWBXSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCCC[C@H]1C ZINC000302195723 386597500 /nfs/dbraw/zinc/59/75/00/386597500.db2.gz AIPZRZFJLSMIRH-VXGBXAGGSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000302195724 528402314 /nfs/dbraw/zinc/40/23/14/528402314.db2.gz AISJPXBBTAFWCH-FRRDWIJNSA-N 0 0 249.402 3.780 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000302195725 386597874 /nfs/dbraw/zinc/59/78/74/386597874.db2.gz AISJPXBBTAFWCH-JHJVBQTASA-N 0 0 249.402 3.780 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000302195726 386597594 /nfs/dbraw/zinc/59/75/94/386597594.db2.gz AISJPXBBTAFWCH-RWMBFGLXSA-N 0 0 249.402 3.780 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000302195727 528402544 /nfs/dbraw/zinc/40/25/44/528402544.db2.gz AISJPXBBTAFWCH-YNEHKIRRSA-N 0 0 249.402 3.780 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCC(C)(C)C1 ZINC000302195861 528403007 /nfs/dbraw/zinc/40/30/07/528403007.db2.gz DRIUJGSGBDRCLG-LLVKDONJSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CCC(C)(C)C1 ZINC000302195863 528403160 /nfs/dbraw/zinc/40/31/60/528403160.db2.gz DRIUJGSGBDRCLG-NSHDSACASA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)c1nn(C)cc1NCC1CCCCC1 ZINC000302196164 528402915 /nfs/dbraw/zinc/40/29/15/528402915.db2.gz FCBLHBFBRQUXHZ-UHFFFAOYSA-N 0 0 235.375 3.536 20 0 BHADRN Cc1cc(C)cc(CNc2ccn(C(C)C)n2)c1 ZINC000302196248 397906793 /nfs/dbraw/zinc/90/67/93/397906793.db2.gz IECGRTRELWJNRA-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN CC(C)CC[C@@H](C)Nc1cn(C)nc1C(C)C ZINC000302196477 386598144 /nfs/dbraw/zinc/59/81/44/386598144.db2.gz JKDFZGYPRMIVGF-GFCCVEGCSA-N 0 0 237.391 3.780 20 0 BHADRN CC(C)CC[C@H](C)Nc1cn(C)nc1C(C)C ZINC000302196478 386599709 /nfs/dbraw/zinc/59/97/09/386599709.db2.gz JKDFZGYPRMIVGF-LBPRGKRZSA-N 0 0 237.391 3.780 20 0 BHADRN CC(C)n1ccc(N[C@H](C)c2ccccc2F)n1 ZINC000302196485 397906855 /nfs/dbraw/zinc/90/68/55/397906855.db2.gz JTJOMQKQKVHJKE-LLVKDONJSA-N 0 0 247.317 3.776 20 0 BHADRN CC(C)n1ccc(N[C@@H](C)c2ccccc2F)n1 ZINC000302196486 397907020 /nfs/dbraw/zinc/90/70/20/397907020.db2.gz JTJOMQKQKVHJKE-NSHDSACASA-N 0 0 247.317 3.776 20 0 BHADRN CC(C)n1ccc(N[C@H]2CCc3ccccc32)n1 ZINC000302196501 490594119 /nfs/dbraw/zinc/59/41/19/490594119.db2.gz KFGLDYMDMFYQOY-AWEZNQCLSA-N 0 0 241.338 3.563 20 0 BHADRN CC(C)n1ccc(N[C@@H]2CCc3ccccc32)n1 ZINC000302196502 490593469 /nfs/dbraw/zinc/59/34/69/490593469.db2.gz KFGLDYMDMFYQOY-CQSZACIVSA-N 0 0 241.338 3.563 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCCCC1(C)C ZINC000302196514 350054559 /nfs/dbraw/zinc/05/45/59/350054559.db2.gz KYGVIWIEFGGVDC-CYBMUJFWSA-N 0 0 249.402 3.924 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CCCCC1(C)C ZINC000302196515 350054566 /nfs/dbraw/zinc/05/45/66/350054566.db2.gz KYGVIWIEFGGVDC-ZDUSSCGKSA-N 0 0 249.402 3.924 20 0 BHADRN Cc1ccc(CNc2ccn(C(C)C)n2)cc1C ZINC000302196923 487774648 /nfs/dbraw/zinc/77/46/48/487774648.db2.gz QCBNRUJBXHJYBB-UHFFFAOYSA-N 0 0 243.354 3.693 20 0 BHADRN CC(C)n1ccc(NCC2CCC(C)CC2)n1 ZINC000302196940 168156369 /nfs/dbraw/zinc/15/63/69/168156369.db2.gz QQBTUTZSUUXQCK-UHFFFAOYSA-N 0 0 235.375 3.702 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000302196959 386592584 /nfs/dbraw/zinc/59/25/84/386592584.db2.gz RYXZJTCJLZDSAW-AGIUHOORSA-N 0 0 249.402 3.780 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000302196960 386592243 /nfs/dbraw/zinc/59/22/43/386592243.db2.gz RYXZJTCJLZDSAW-FRRDWIJNSA-N 0 0 249.402 3.780 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000302196961 386591430 /nfs/dbraw/zinc/59/14/30/386591430.db2.gz RYXZJTCJLZDSAW-JHJVBQTASA-N 0 0 249.402 3.780 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000302196962 386592806 /nfs/dbraw/zinc/59/28/06/386592806.db2.gz RYXZJTCJLZDSAW-UPJWGTAASA-N 0 0 249.402 3.780 20 0 BHADRN CC(C)n1ccc(NCCCc2ccccc2)n1 ZINC000302197365 487775073 /nfs/dbraw/zinc/77/50/73/487775073.db2.gz SKUSEEBWBDYUGF-UHFFFAOYSA-N 0 0 243.354 3.509 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CCC[C@@H](C)C1 ZINC000302197393 386591925 /nfs/dbraw/zinc/59/19/25/386591925.db2.gz UDQNADXFSMCVGJ-NEPJUHHUSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCC[C@H](C)C1 ZINC000302197394 386593130 /nfs/dbraw/zinc/59/31/30/386593130.db2.gz UDQNADXFSMCVGJ-NWDGAFQWSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CCC[C@H](C)C1 ZINC000302197395 386592667 /nfs/dbraw/zinc/59/26/67/386592667.db2.gz UDQNADXFSMCVGJ-RYUDHWBXSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCC[C@@H](C)C1 ZINC000302197396 386591499 /nfs/dbraw/zinc/59/14/99/386591499.db2.gz UDQNADXFSMCVGJ-VXGBXAGGSA-N 0 0 235.375 3.534 20 0 BHADRN CCCC(CCC)Nc1cn(C)nc1C(C)C ZINC000302197411 386592587 /nfs/dbraw/zinc/59/25/87/386592587.db2.gz UPAXSSCVQXKSHQ-UHFFFAOYSA-N 0 0 237.391 3.924 20 0 BHADRN CC(C)n1ccc(NC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000302197449 188006115 /nfs/dbraw/zinc/00/61/15/188006115.db2.gz WYGWMDCKJYVXKE-CHWSQXEVSA-N 0 0 235.375 3.702 20 0 BHADRN CC(C)n1ccc(NC[C@@H]2CCC[C@H](C)C2)n1 ZINC000302197451 487774498 /nfs/dbraw/zinc/77/44/98/487774498.db2.gz WYGWMDCKJYVXKE-QWHCGFSZSA-N 0 0 235.375 3.702 20 0 BHADRN Cc1nnc(NCCC2=CCCCCC2)s1 ZINC000302202007 384970088 /nfs/dbraw/zinc/97/00/88/384970088.db2.gz SVXDDROPABZDCT-UHFFFAOYSA-N 0 0 237.372 3.539 20 0 BHADRN C[C@@H](CCC1CC1)Nc1nc2ccccc2o1 ZINC000302209559 384972569 /nfs/dbraw/zinc/97/25/69/384972569.db2.gz BYPARFWOAQCGTL-JTQLQIEISA-N 0 0 230.311 3.818 20 0 BHADRN C[C@H](CCC1CC1)Nc1nc2ccccc2o1 ZINC000302209562 176617426 /nfs/dbraw/zinc/61/74/26/176617426.db2.gz BYPARFWOAQCGTL-SNVBAGLBSA-N 0 0 230.311 3.818 20 0 BHADRN C[C@H](CCC1CC1)Nc1ccnc(Cl)c1 ZINC000302210132 384972656 /nfs/dbraw/zinc/97/26/56/384972656.db2.gz CHFKPZAKRBAMRE-SECBINFHSA-N 0 0 224.735 3.726 20 0 BHADRN C[C@@H](CCC1CC1)Nc1ccnc(Cl)c1 ZINC000302210133 384971452 /nfs/dbraw/zinc/97/14/52/384971452.db2.gz CHFKPZAKRBAMRE-VIFPVBQESA-N 0 0 224.735 3.726 20 0 BHADRN Cc1nnc(N[C@@H](C)c2c(C)cccc2C)s1 ZINC000302212218 180435572 /nfs/dbraw/zinc/43/55/72/180435572.db2.gz HFJGODGBNUOSGD-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1nnc(N[C@H](C)c2c(C)cccc2C)s1 ZINC000302212219 386914791 /nfs/dbraw/zinc/91/47/91/386914791.db2.gz HFJGODGBNUOSGD-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cnc(N[C@H](C)c2c(C)cccc2C)nc1 ZINC000302212746 386915358 /nfs/dbraw/zinc/91/53/58/386915358.db2.gz HIVGHRHXBVQTBK-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cnc(N[C@@H](C)c2c(C)cccc2C)nc1 ZINC000302212747 384741897 /nfs/dbraw/zinc/74/18/97/384741897.db2.gz HIVGHRHXBVQTBK-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN CSc1cncc(NCCC2=CCCCC2)n1 ZINC000302212850 386915441 /nfs/dbraw/zinc/91/54/41/386915441.db2.gz FDHWQAIWDJJZEQ-UHFFFAOYSA-N 0 0 249.383 3.501 20 0 BHADRN CC(C)c1nccc(N[C@H](C)CCC2CC2)n1 ZINC000302217076 386915641 /nfs/dbraw/zinc/91/56/41/386915641.db2.gz JHYYQFKTVYYRJA-LLVKDONJSA-N 0 0 233.359 3.591 20 0 BHADRN CC(C)c1nccc(N[C@@H](C)CCC2CC2)n1 ZINC000302217077 386915123 /nfs/dbraw/zinc/91/51/23/386915123.db2.gz JHYYQFKTVYYRJA-NSHDSACASA-N 0 0 233.359 3.591 20 0 BHADRN CC(C)c1nnc(N[C@H](C)CCC2CC2)s1 ZINC000302217361 384972410 /nfs/dbraw/zinc/97/24/10/384972410.db2.gz JOACGAWKRZDQOA-SECBINFHSA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)c1nnc(N[C@@H](C)CCC2CC2)s1 ZINC000302217362 384970033 /nfs/dbraw/zinc/97/00/33/384970033.db2.gz JOACGAWKRZDQOA-VIFPVBQESA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)CCC(=O)NC(C)(C)CC(C)(C)C ZINC000302219547 527696175 /nfs/dbraw/zinc/69/61/75/527696175.db2.gz BHDVYUGIHHPHKK-UHFFFAOYSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCN(C(=O)CCC(C)C)[C@H](C)CC ZINC000302220509 386915312 /nfs/dbraw/zinc/91/53/12/386915312.db2.gz GIQGFTSTFIBDKN-CYBMUJFWSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCN(C(=O)CCC(C)C)[C@@H](C)CC ZINC000302220512 528300553 /nfs/dbraw/zinc/30/05/53/528300553.db2.gz GIQGFTSTFIBDKN-ZDUSSCGKSA-N 0 0 227.392 3.850 20 0 BHADRN Cc1cncc(NCc2ccc3ccccc3c2)n1 ZINC000302221301 179681213 /nfs/dbraw/zinc/68/12/13/179681213.db2.gz MKOZTRFTULEWOC-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CCCCCC(=O)NC(C)(C)CC(C)(C)C ZINC000302221834 528105340 /nfs/dbraw/zinc/10/53/40/528105340.db2.gz LXTOYMPLSRCYSE-UHFFFAOYSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCN(CC)c1nc2ccccc2s1 ZINC000302222145 528397463 /nfs/dbraw/zinc/39/74/63/528397463.db2.gz MYMNEFQEEQAURH-UHFFFAOYSA-N 0 0 234.368 3.923 20 0 BHADRN CCCCCC(=O)N(CCCC)[C@H](C)CC ZINC000302224703 528101470 /nfs/dbraw/zinc/10/14/70/528101470.db2.gz YPNHULRNKLTNNQ-CYBMUJFWSA-N 0 0 227.392 3.994 20 0 BHADRN CCCCCC(=O)N(CCCC)[C@@H](C)CC ZINC000302224704 528101853 /nfs/dbraw/zinc/10/18/53/528101853.db2.gz YPNHULRNKLTNNQ-ZDUSSCGKSA-N 0 0 227.392 3.994 20 0 BHADRN C[C@H](CCC1CC1)Nc1nc2cc(F)ccc2o1 ZINC000302225638 386916848 /nfs/dbraw/zinc/91/68/48/386916848.db2.gz RTINEYRELTUQSU-SECBINFHSA-N 0 0 248.301 3.958 20 0 BHADRN C[C@@H](CCC1CC1)Nc1nc2cc(F)ccc2o1 ZINC000302225639 386916419 /nfs/dbraw/zinc/91/64/19/386916419.db2.gz RTINEYRELTUQSU-VIFPVBQESA-N 0 0 248.301 3.958 20 0 BHADRN Cc1nsc(N[C@@H](C)c2c(C)cccc2C)n1 ZINC000302227085 386916334 /nfs/dbraw/zinc/91/63/34/386916334.db2.gz QAUPWKQITDQQDN-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1nsc(N[C@H](C)c2c(C)cccc2C)n1 ZINC000302227086 386917099 /nfs/dbraw/zinc/91/70/99/386917099.db2.gz QAUPWKQITDQQDN-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cc(C)cc([C@@H](C)Nc2cncc(C)n2)c1 ZINC000302227097 386916584 /nfs/dbraw/zinc/91/65/84/386916584.db2.gz QBIKMGLSHKUBCJ-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cc(C)cc([C@H](C)Nc2cncc(C)n2)c1 ZINC000302227098 386917182 /nfs/dbraw/zinc/91/71/82/386917182.db2.gz QBIKMGLSHKUBCJ-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccnc(N[C@H](C)c2c(C)cccc2C)n1 ZINC000302227114 386917692 /nfs/dbraw/zinc/91/76/92/386917692.db2.gz QCNJSCKKNNOQEM-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2c(C)cccc2C)n1 ZINC000302227115 386916756 /nfs/dbraw/zinc/91/67/56/386916756.db2.gz QCNJSCKKNNOQEM-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN CCSCCSc1nc(C(C)C)ns1 ZINC000302227175 170640393 /nfs/dbraw/zinc/64/03/93/170640393.db2.gz QFLMNABPNRMROJ-UHFFFAOYSA-N 0 0 248.442 3.507 20 0 BHADRN CC(C)c1nsc(N[C@H](C)CCC2CC2)n1 ZINC000302227250 384968732 /nfs/dbraw/zinc/96/87/32/384968732.db2.gz UKVBOAPQBCRNOC-SECBINFHSA-N 0 0 239.388 3.652 20 0 BHADRN CC(C)c1nsc(N[C@@H](C)CCC2CC2)n1 ZINC000302227251 384967389 /nfs/dbraw/zinc/96/73/89/384967389.db2.gz UKVBOAPQBCRNOC-VIFPVBQESA-N 0 0 239.388 3.652 20 0 BHADRN Cc1cccc(N(C)[C@H](C)c2ccc(F)cc2)n1 ZINC000302228503 179117608 /nfs/dbraw/zinc/11/76/08/179117608.db2.gz ADSDYKMORGCLPL-GFCCVEGCSA-N 0 0 244.313 3.727 20 0 BHADRN Cc1cccc(N(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000302228506 179117512 /nfs/dbraw/zinc/11/75/12/179117512.db2.gz ADSDYKMORGCLPL-LBPRGKRZSA-N 0 0 244.313 3.727 20 0 BHADRN C[C@H](CCC1CC1)Nc1ncnc2sccc21 ZINC000302228818 384971318 /nfs/dbraw/zinc/97/13/18/384971318.db2.gz VTYNECJCMURIKM-SECBINFHSA-N 0 0 247.367 3.682 20 0 BHADRN C[C@@H](CCC1CC1)Nc1ncnc2sccc21 ZINC000302228819 175662550 /nfs/dbraw/zinc/66/25/50/175662550.db2.gz VTYNECJCMURIKM-VIFPVBQESA-N 0 0 247.367 3.682 20 0 BHADRN CCC(C)(C)Nc1nc(C)nc2scc(C)c21 ZINC000302229020 168302860 /nfs/dbraw/zinc/30/28/60/168302860.db2.gz APTYLXRYQCQMCV-UHFFFAOYSA-N 0 0 249.383 3.909 20 0 BHADRN Cc1cncc(N[C@H](C)c2cccc(C)c2C)n1 ZINC000302229320 179683658 /nfs/dbraw/zinc/68/36/58/179683658.db2.gz RFYQOCQHOCIWJN-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cncc(N[C@@H](C)c2cccc(C)c2C)n1 ZINC000302229322 386917709 /nfs/dbraw/zinc/91/77/09/386917709.db2.gz RFYQOCQHOCIWJN-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN C[C@@H](CCC1CC1)Nc1nc2ccccc2[nH]1 ZINC000302230465 384972092 /nfs/dbraw/zinc/97/20/92/384972092.db2.gz WWOCYULPVHAKRO-JTQLQIEISA-N 0 0 229.327 3.554 20 0 BHADRN C[C@H](CCC1CC1)Nc1nc2ccccc2[nH]1 ZINC000302230467 384972373 /nfs/dbraw/zinc/97/23/73/384972373.db2.gz WWOCYULPVHAKRO-SNVBAGLBSA-N 0 0 229.327 3.554 20 0 BHADRN Cc1cccc(N[C@H](C)Cc2ccccc2F)n1 ZINC000302234211 179156487 /nfs/dbraw/zinc/15/64/87/179156487.db2.gz GMDHNLHXIPVTLU-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cccc(N[C@@H](C)Cc2ccccc2F)n1 ZINC000302234213 179153698 /nfs/dbraw/zinc/15/36/98/179153698.db2.gz GMDHNLHXIPVTLU-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN CC(C)Cc1nsc(SC2CCCC2)n1 ZINC000302234637 386916890 /nfs/dbraw/zinc/91/68/90/386916890.db2.gz GZYHOCXQTJXJFP-UHFFFAOYSA-N 0 0 242.413 3.771 20 0 BHADRN Cc1cc(N[C@H](C)c2c(C)cccc2C)ncn1 ZINC000302235083 178185506 /nfs/dbraw/zinc/18/55/06/178185506.db2.gz UPUBGDIRDKOJER-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cc(N[C@@H](C)c2c(C)cccc2C)ncn1 ZINC000302235084 178178662 /nfs/dbraw/zinc/17/86/62/178178662.db2.gz UPUBGDIRDKOJER-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN c1ccc2nc(N3CCCC4(CC4)C3)ccc2c1 ZINC000302237120 132262138 /nfs/dbraw/zinc/26/21/38/132262138.db2.gz GIXDUZWMEJIMMF-UHFFFAOYSA-N 0 0 238.334 3.615 20 0 BHADRN Cc1cccc(N2CCC[C@@H]2CC(C)(C)C)n1 ZINC000302237348 179122727 /nfs/dbraw/zinc/12/27/27/179122727.db2.gz KIGVAIBHYDADMW-CYBMUJFWSA-N 0 0 232.371 3.795 20 0 BHADRN Cc1cccc(N2CCC[C@H]2CC(C)(C)C)n1 ZINC000302237349 179121987 /nfs/dbraw/zinc/12/19/87/179121987.db2.gz KIGVAIBHYDADMW-ZDUSSCGKSA-N 0 0 232.371 3.795 20 0 BHADRN C[C@H](O)c1ccc(OCCC2CCCC2)cc1 ZINC000302237598 583505465 /nfs/dbraw/zinc/50/54/65/583505465.db2.gz BFTQQBFYRAHQID-LBPRGKRZSA-N 0 0 234.339 3.699 20 0 BHADRN Cc1cccc(N(C)[C@H](C)c2ccccc2F)n1 ZINC000302238262 179117101 /nfs/dbraw/zinc/11/71/01/179117101.db2.gz LIZKMYBECXVWLL-GFCCVEGCSA-N 0 0 244.313 3.727 20 0 BHADRN Cc1cccc(N(C)[C@@H](C)c2ccccc2F)n1 ZINC000302238263 179117508 /nfs/dbraw/zinc/11/75/08/179117508.db2.gz LIZKMYBECXVWLL-LBPRGKRZSA-N 0 0 244.313 3.727 20 0 BHADRN Cc1cc([C@H](C)Nc2cncc(C)n2)c(C)s1 ZINC000302238673 386917704 /nfs/dbraw/zinc/91/77/04/386917704.db2.gz WUXAZHWLRLPQFS-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cc([C@@H](C)Nc2cncc(C)n2)c(C)s1 ZINC000302238676 179684048 /nfs/dbraw/zinc/68/40/48/179684048.db2.gz WUXAZHWLRLPQFS-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN CCN(Cc1cccc(F)c1)c1cccc(C)n1 ZINC000302238814 386917884 /nfs/dbraw/zinc/91/78/84/386917884.db2.gz LWZLCVHBACQMIS-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCC[C@H](C)[C@H]1CCCN1c1cccc(C)n1 ZINC000302239790 386919358 /nfs/dbraw/zinc/91/93/58/386919358.db2.gz MUGWALJZWYVZMV-GXTWGEPZSA-N 0 0 232.371 3.795 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1c1cccc(C)n1 ZINC000302239792 386919695 /nfs/dbraw/zinc/91/96/95/386919695.db2.gz MUGWALJZWYVZMV-JSGCOSHPSA-N 0 0 232.371 3.795 20 0 BHADRN CCC[C@@H](C)[C@@H]1CCCN1c1cccc(C)n1 ZINC000302239793 169373208 /nfs/dbraw/zinc/37/32/08/169373208.db2.gz MUGWALJZWYVZMV-OCCSQVGLSA-N 0 0 232.371 3.795 20 0 BHADRN CCC[C@@H](C)[C@H]1CCCN1c1cccc(C)n1 ZINC000302239795 169374346 /nfs/dbraw/zinc/37/43/46/169374346.db2.gz MUGWALJZWYVZMV-TZMCWYRMSA-N 0 0 232.371 3.795 20 0 BHADRN Cc1cccc(NCCOC2CCCCCC2)n1 ZINC000302240318 188059846 /nfs/dbraw/zinc/05/98/46/188059846.db2.gz MZZVLBLEZQXVFA-UHFFFAOYSA-N 0 0 248.370 3.541 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)Nc1ccccn1 ZINC000302241215 179049599 /nfs/dbraw/zinc/04/95/99/179049599.db2.gz XWPPTDXJTDHICM-CYBMUJFWSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1cccc(C)c1[C@H](C)Nc1ccccn1 ZINC000302241216 179049660 /nfs/dbraw/zinc/04/96/60/179049660.db2.gz XWPPTDXJTDHICM-ZDUSSCGKSA-N 0 0 226.323 3.872 20 0 BHADRN Cc1ccccc1Oc1nc(CC(C)C)ns1 ZINC000302244556 179313886 /nfs/dbraw/zinc/31/38/86/179313886.db2.gz RHMYVFMSRHDBFF-UHFFFAOYSA-N 0 0 248.351 3.837 20 0 BHADRN CCC(C)(C)Nc1nc(-c2ccccc2)ns1 ZINC000302245290 168302427 /nfs/dbraw/zinc/30/24/27/168302427.db2.gz RXUZLXUYRQNWQU-UHFFFAOYSA-N 0 0 247.367 3.806 20 0 BHADRN Cc1cccc(N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000302247711 132262262 /nfs/dbraw/zinc/26/22/62/132262262.db2.gz UQFATGXHFWICPK-INIZCTEOSA-N 0 0 242.366 3.717 20 0 BHADRN Cc1cccc(N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000302247712 132262295 /nfs/dbraw/zinc/26/22/95/132262295.db2.gz UQFATGXHFWICPK-MRXNPFEDSA-N 0 0 242.366 3.717 20 0 BHADRN Cc1cccc(N2CCC[C@H]2CCC(C)C)n1 ZINC000302253299 179121519 /nfs/dbraw/zinc/12/15/19/179121519.db2.gz XSLHZCAEFWFGSU-AWEZNQCLSA-N 0 0 232.371 3.795 20 0 BHADRN Cc1cccc(N2CCC[C@@H]2CCC(C)C)n1 ZINC000302253301 179122219 /nfs/dbraw/zinc/12/22/19/179122219.db2.gz XSLHZCAEFWFGSU-CQSZACIVSA-N 0 0 232.371 3.795 20 0 BHADRN CC[C@@H](C)Nc1nc(C)nc2scc(C)c21 ZINC000302255775 384984822 /nfs/dbraw/zinc/98/48/22/384984822.db2.gz YTBBAWHKEWQPSR-MRVPVSSYSA-N 0 0 235.356 3.519 20 0 BHADRN CC[C@H](C)Nc1nc(C)nc2scc(C)c21 ZINC000302255776 171350363 /nfs/dbraw/zinc/35/03/63/171350363.db2.gz YTBBAWHKEWQPSR-QMMMGPOBSA-N 0 0 235.356 3.519 20 0 BHADRN CCN(c1nc(C)nc2scc(C)c21)C(C)C ZINC000302256625 386918928 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GJENJNHPRIQMDQ-AWEZNQCLSA-N 0 0 249.398 3.706 20 0 BHADRN CC(C)C[C@@H](C)CNc1cccc(CCCO)c1 ZINC000302291013 528253684 /nfs/dbraw/zinc/25/36/84/528253684.db2.gz GJENJNHPRIQMDQ-CQSZACIVSA-N 0 0 249.398 3.706 20 0 BHADRN CCn1ccc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000302291522 487954874 /nfs/dbraw/zinc/95/48/74/487954874.db2.gz KTLZYEPWNHZCNN-JTQLQIEISA-N 0 0 249.745 3.730 20 0 BHADRN CCn1ccc(N[C@H](C)c2cccc(Cl)c2)n1 ZINC000302291523 487954983 /nfs/dbraw/zinc/95/49/83/487954983.db2.gz KTLZYEPWNHZCNN-SNVBAGLBSA-N 0 0 249.745 3.730 20 0 BHADRN CCn1ccc(N[C@@H](C)c2ccccc2Cl)n1 ZINC000302300864 487955626 /nfs/dbraw/zinc/95/56/26/487955626.db2.gz MFGYGVJXZIVSLX-JTQLQIEISA-N 0 0 249.745 3.730 20 0 BHADRN CCn1ccc(N[C@H](C)c2ccccc2Cl)n1 ZINC000302300865 487955705 /nfs/dbraw/zinc/95/57/05/487955705.db2.gz MFGYGVJXZIVSLX-SNVBAGLBSA-N 0 0 249.745 3.730 20 0 BHADRN Cc1cc(C)c(CNc2cncc(F)c2)cc1C ZINC000302309719 386674030 /nfs/dbraw/zinc/67/40/30/386674030.db2.gz GGAXJXKQDVSFHZ-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN CC[C@@H]1C[C@H]1Nc1nc(C)nc2scc(C)c21 ZINC000302316396 171142541 /nfs/dbraw/zinc/14/25/41/171142541.db2.gz VHLXYJFMZLIVSP-NXEZZACHSA-N 0 0 247.367 3.519 20 0 BHADRN CC[C@@H](C)N(C)c1nc(C)nc2scc(C)c21 ZINC000302324034 386707355 /nfs/dbraw/zinc/70/73/55/386707355.db2.gz XIGNVVYFQQQYSE-SECBINFHSA-N 0 0 249.383 3.543 20 0 BHADRN CC[C@H](C)N(C)c1nc(C)nc2scc(C)c21 ZINC000302324036 171309909 /nfs/dbraw/zinc/30/99/09/171309909.db2.gz XIGNVVYFQQQYSE-VIFPVBQESA-N 0 0 249.383 3.543 20 0 BHADRN Cc1csc2nc(C)nc(NCCC3CC3)c12 ZINC000302326611 180018202 /nfs/dbraw/zinc/01/82/02/180018202.db2.gz YKNIKRLSDAOTSK-UHFFFAOYSA-N 0 0 247.367 3.520 20 0 BHADRN CCc1ccc(NCc2cccc(C)n2)cc1C ZINC000302345617 385517154 /nfs/dbraw/zinc/51/71/54/385517154.db2.gz VLVRGAMHOXKCGZ-UHFFFAOYSA-N 0 0 240.350 3.873 20 0 BHADRN C[C@H]1CCCCN(c2nc3cc(F)ccc3o2)C1 ZINC000302349894 177072018 /nfs/dbraw/zinc/07/20/18/177072018.db2.gz DADITBWPJKDHGZ-JTQLQIEISA-N 0 0 248.301 3.593 20 0 BHADRN C[C@@H]1CCCCN(c2nc3cc(F)ccc3o2)C1 ZINC000302349896 176065814 /nfs/dbraw/zinc/06/58/14/176065814.db2.gz DADITBWPJKDHGZ-SNVBAGLBSA-N 0 0 248.301 3.593 20 0 BHADRN COCc1ccc(NC[C@@H](C)C(C)(C)C)cc1 ZINC000302357138 592546937 /nfs/dbraw/zinc/54/69/37/592546937.db2.gz BDLAYXMLWLXWTM-GFCCVEGCSA-N 0 0 235.371 3.927 20 0 BHADRN COCc1ccc(NC[C@H](C)C(C)(C)C)cc1 ZINC000302357139 592546868 /nfs/dbraw/zinc/54/68/68/592546868.db2.gz BDLAYXMLWLXWTM-LBPRGKRZSA-N 0 0 235.371 3.927 20 0 BHADRN Fc1ccccc1N[C@H]1CCCC12CCOCC2 ZINC000302362814 181014312 /nfs/dbraw/zinc/01/43/12/181014312.db2.gz LAZPNQYHCKCKAE-AWEZNQCLSA-N 0 0 249.329 3.587 20 0 BHADRN Fc1ccccc1N[C@@H]1CCCC12CCOCC2 ZINC000302362816 181014318 /nfs/dbraw/zinc/01/43/18/181014318.db2.gz LAZPNQYHCKCKAE-CQSZACIVSA-N 0 0 249.329 3.587 20 0 BHADRN CCCC[C@H](C)c1nc(-c2cccc(N)c2)no1 ZINC000302389478 592547498 /nfs/dbraw/zinc/54/74/98/592547498.db2.gz NRPGYOCKPARWPR-JTQLQIEISA-N 0 0 245.326 3.613 20 0 BHADRN CCCC[C@@H](C)c1nc(-c2cccc(N)c2)no1 ZINC000302390236 583506206 /nfs/dbraw/zinc/50/62/06/583506206.db2.gz NRPGYOCKPARWPR-SNVBAGLBSA-N 0 0 245.326 3.613 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1c1nc2cc(F)ccc2o1 ZINC000302404776 171160503 /nfs/dbraw/zinc/16/05/03/171160503.db2.gz LQDFFBWGHXCNKH-BXKDBHETSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1c1nc2cc(F)ccc2o1 ZINC000302404777 386923117 /nfs/dbraw/zinc/92/31/17/386923117.db2.gz LQDFFBWGHXCNKH-CABZTGNLSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1c1nc2cc(F)ccc2o1 ZINC000302404778 171158510 /nfs/dbraw/zinc/15/85/10/171158510.db2.gz LQDFFBWGHXCNKH-JOYOIKCWSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@H]1[C@H](C)CCN1c1nc2cc(F)ccc2o1 ZINC000302404779 386922552 /nfs/dbraw/zinc/92/25/52/386922552.db2.gz LQDFFBWGHXCNKH-SKDRFNHKSA-N 0 0 248.301 3.592 20 0 BHADRN CCC1(CC)CCN(c2nc(C)cnc2C)CC1 ZINC000302416776 132263397 /nfs/dbraw/zinc/26/33/97/132263397.db2.gz IZTQDOMTGDMKRC-UHFFFAOYSA-N 0 0 247.386 3.500 20 0 BHADRN Cc1cccc(Sc2cc(C)nc(C)n2)c1 ZINC000302421570 179176842 /nfs/dbraw/zinc/17/68/42/179176842.db2.gz JANQWBQQLXSOCE-UHFFFAOYSA-N 0 0 230.336 3.553 20 0 BHADRN CC(=O)Nc1cccc(NC[C@@H](C)C(C)(C)C)c1 ZINC000302426133 487963393 /nfs/dbraw/zinc/96/33/93/487963393.db2.gz KRUBBCSJMVFNGP-LLVKDONJSA-N 0 0 248.370 3.739 20 0 BHADRN CC(=O)Nc1cccc(NC[C@H](C)C(C)(C)C)c1 ZINC000302426135 487963372 /nfs/dbraw/zinc/96/33/72/487963372.db2.gz KRUBBCSJMVFNGP-NSHDSACASA-N 0 0 248.370 3.739 20 0 BHADRN C[C@@H]1CCCCN(c2ccc3ccccc3n2)C1 ZINC000302438338 176065556 /nfs/dbraw/zinc/06/55/56/176065556.db2.gz QUOZRKQTTZRKDE-CYBMUJFWSA-N 0 0 240.350 3.861 20 0 BHADRN C[C@H]1CCCCN(c2ccc3ccccc3n2)C1 ZINC000302438339 177071299 /nfs/dbraw/zinc/07/12/99/177071299.db2.gz QUOZRKQTTZRKDE-ZDUSSCGKSA-N 0 0 240.350 3.861 20 0 BHADRN Cc1cc(Sc2ccccc2C)nc(C)n1 ZINC000302439458 178219608 /nfs/dbraw/zinc/21/96/08/178219608.db2.gz MVYUUULAKSSXMF-UHFFFAOYSA-N 0 0 230.336 3.553 20 0 BHADRN COCc1ccccc1NC[C@@H](C)C(C)(C)C ZINC000302441993 487965994 /nfs/dbraw/zinc/96/59/94/487965994.db2.gz NAFGTUGZYCGWPI-GFCCVEGCSA-N 0 0 235.371 3.927 20 0 BHADRN COCc1ccccc1NC[C@H](C)C(C)(C)C ZINC000302441994 487965660 /nfs/dbraw/zinc/96/56/60/487965660.db2.gz NAFGTUGZYCGWPI-LBPRGKRZSA-N 0 0 235.371 3.927 20 0 BHADRN CCC1(CC)CCN(c2cc(C)nc(C)n2)CC1 ZINC000302443213 132263384 /nfs/dbraw/zinc/26/33/84/132263384.db2.gz MMCQUVJTDXGZRU-UHFFFAOYSA-N 0 0 247.386 3.500 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cc(C)c(O)cc1C ZINC000302445182 528885463 /nfs/dbraw/zinc/88/54/63/528885463.db2.gz UNHIYONTMHDSOG-JTQLQIEISA-N 0 0 249.354 3.774 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cc(C)c(O)cc1C ZINC000302445185 528755064 /nfs/dbraw/zinc/75/50/64/528755064.db2.gz UNHIYONTMHDSOG-SNVBAGLBSA-N 0 0 249.354 3.774 20 0 BHADRN COc1cccc2c(NC3CCCC3)ccnc12 ZINC000302448962 175299670 /nfs/dbraw/zinc/29/96/70/175299670.db2.gz OULRNPWLRNQKNQ-UHFFFAOYSA-N 0 0 242.322 3.598 20 0 BHADRN CC(C)C[C@@H](C)Cn1ccc2sccc2c1=O ZINC000302454208 528254791 /nfs/dbraw/zinc/25/47/91/528254791.db2.gz XTTKBFXVKMEODW-LLVKDONJSA-N 0 0 249.379 3.745 20 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CC[C@@H]1[C@H](C)CCN1c1cc(C)nc(C(C)C)n1 ZINC000302463599 171160614 /nfs/dbraw/zinc/16/06/14/171160614.db2.gz VOKHXVGGZAXZCB-DGCLKSJQSA-N 0 0 247.386 3.533 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1c1cc(C)nc(C(C)C)n1 ZINC000302463600 171157341 /nfs/dbraw/zinc/15/73/41/171157341.db2.gz VOKHXVGGZAXZCB-WCQYABFASA-N 0 0 247.386 3.533 20 0 BHADRN CC[C@H]1[C@H](C)CCN1c1cc(C)nc(C(C)C)n1 ZINC000302463601 386924006 /nfs/dbraw/zinc/92/40/06/386924006.db2.gz VOKHXVGGZAXZCB-YPMHNXCESA-N 0 0 247.386 3.533 20 0 BHADRN COCCc1ccccc1NC[C@@H](C)C(C)(C)C ZINC000302468549 487964380 /nfs/dbraw/zinc/96/43/80/487964380.db2.gz QSZXZNWRKNUWMN-CYBMUJFWSA-N 0 0 249.398 3.970 20 0 BHADRN COCCc1ccccc1NC[C@H](C)C(C)(C)C ZINC000302468551 487964570 /nfs/dbraw/zinc/96/45/70/487964570.db2.gz QSZXZNWRKNUWMN-ZDUSSCGKSA-N 0 0 249.398 3.970 20 0 BHADRN COCCc1ccccc1NC[C@@H](C)CC(C)C ZINC000302468651 533324993 /nfs/dbraw/zinc/32/49/93/533324993.db2.gz ZDSHHHZUQISXEF-AWEZNQCLSA-N 0 0 249.398 3.970 20 0 BHADRN COCCc1ccccc1NC[C@H](C)CC(C)C ZINC000302468652 533325258 /nfs/dbraw/zinc/32/52/58/533325258.db2.gz ZDSHHHZUQISXEF-CQSZACIVSA-N 0 0 249.398 3.970 20 0 BHADRN CCCc1ccc(N[C@H](C)C(C)(C)OC)cc1 ZINC000302470738 592548632 /nfs/dbraw/zinc/54/86/32/592548632.db2.gz QBIRNWIWXHPPPP-GFCCVEGCSA-N 0 0 235.371 3.865 20 0 BHADRN CCCc1ccc(N[C@@H](C)C(C)(C)OC)cc1 ZINC000302470740 592548616 /nfs/dbraw/zinc/54/86/16/592548616.db2.gz QBIRNWIWXHPPPP-LBPRGKRZSA-N 0 0 235.371 3.865 20 0 BHADRN CC(C)C(C)(C)CNc1nnc(C2CC2)s1 ZINC000302471284 384993431 /nfs/dbraw/zinc/99/34/31/384993431.db2.gz CWGHPOKCJOSMAI-UHFFFAOYSA-N 0 0 239.388 3.510 20 0 BHADRN Fc1cncc(NCc2coc3ccccc23)c1 ZINC000302472899 181020503 /nfs/dbraw/zinc/02/05/03/181020503.db2.gz ZVRMEZBDENZSFR-UHFFFAOYSA-N 0 0 242.253 3.579 20 0 BHADRN COc1ccc(NC[C@H]2CCC(F)(F)C2)cc1 ZINC000302479589 592548181 /nfs/dbraw/zinc/54/81/81/592548181.db2.gz QULJFKLFOKEFRG-JTQLQIEISA-N 0 0 241.281 3.543 20 0 BHADRN COc1ccc(NC[C@@H]2CCC(F)(F)C2)cc1 ZINC000302479590 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CC(C)=CCCNc1cc(C(F)(F)F)ccn1 ZINC000302706445 385015595 /nfs/dbraw/zinc/01/55/95/385015595.db2.gz JOBPXWRVFKJAKS-UHFFFAOYSA-N 0 0 244.260 3.869 20 0 BHADRN CC1(C)CCN(c2ccnc3c(F)cccc23)C1 ZINC000302706663 386931694 /nfs/dbraw/zinc/93/16/94/386931694.db2.gz WDKYFNSDOXOUGN-UHFFFAOYSA-N 0 0 244.313 3.610 20 0 BHADRN Clc1cncnc1SC1CCCCC1 ZINC000302706837 386932461 /nfs/dbraw/zinc/93/24/61/386932461.db2.gz KASFGWDMEVFMQT-UHFFFAOYSA-N 0 0 228.748 3.555 20 0 BHADRN CC(C)=CCCNc1noc(-c2ccccc2)n1 ZINC000302707088 386931807 /nfs/dbraw/zinc/93/18/07/386931807.db2.gz JOTVLLWLOQXQNF-UHFFFAOYSA-N 0 0 243.310 3.505 20 0 BHADRN CC(C)=CCCNc1ncnc2c(C)cccc12 ZINC000302707191 386931154 /nfs/dbraw/zinc/93/11/54/386931154.db2.gz JSKNTWYAROXCDM-UHFFFAOYSA-N 0 0 241.338 3.706 20 0 BHADRN Cc1ccccc1[C@H](C)NC(=O)OC1CCCC1 ZINC000302707525 592552197 /nfs/dbraw/zinc/55/21/97/592552197.db2.gz XIQCZHVLFNPRSW-LBPRGKRZSA-N 0 0 247.338 3.725 20 0 BHADRN Cc1cccc(NCc2ccc(C3CC3)cc2)n1 ZINC000302709163 179150210 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20 0 BHADRN Cc1ccoc1C(=O)OC1CCCCCCC1 ZINC000302799119 636299053 /nfs/dbraw/zinc/29/90/53/636299053.db2.gz FDGQWFUTUOAYKP-UHFFFAOYSA-N 0 0 236.311 3.858 20 0 BHADRN CCC(C)(C)CNc1cccc(F)c1C(C)=O ZINC000302802690 168281693 /nfs/dbraw/zinc/28/16/93/168281693.db2.gz UXESIKPIGZQXMJ-UHFFFAOYSA-N 0 0 237.318 3.876 20 0 BHADRN CC[C@@H](C)Sc1nc(C)nc2ccccc21 ZINC000302802998 369398243 /nfs/dbraw/zinc/39/82/43/369398243.db2.gz FGXGQXUNNABJNB-SECBINFHSA-N 0 0 232.352 3.829 20 0 BHADRN CC[C@H](C)Sc1nc(C)nc2ccccc21 ZINC000302802999 369398216 /nfs/dbraw/zinc/39/82/16/369398216.db2.gz FGXGQXUNNABJNB-VIFPVBQESA-N 0 0 232.352 3.829 20 0 BHADRN Fc1cccc2c(SC3CCCC3)ncnc12 ZINC000302804554 181003554 /nfs/dbraw/zinc/00/35/54/181003554.db2.gz WDJGXIHVBGHWFA-UHFFFAOYSA-N 0 0 248.326 3.804 20 0 BHADRN Cc1ccoc1C(=O)Oc1ccccc1C(C)C ZINC000302807553 644786656 /nfs/dbraw/zinc/78/66/56/644786656.db2.gz XKXNHCLXSGWTKE-UHFFFAOYSA-N 0 0 244.290 3.931 20 0 BHADRN CCC(C)(C)CNc1ccc(OC(F)F)cn1 ZINC000302808908 168282336 /nfs/dbraw/zinc/28/23/36/168282336.db2.gz YCGLCOBZRZDURQ-UHFFFAOYSA-N 0 0 244.285 3.531 20 0 BHADRN CCC(CC)(CC)Sc1cc(C)ncn1 ZINC000302810343 168318907 /nfs/dbraw/zinc/31/89/07/168318907.db2.gz YKRJZAPITHMHJT-UHFFFAOYSA-N 0 0 224.373 3.846 20 0 BHADRN CCN(Cc1cccs1)c1ncc(C)s1 ZINC000302822689 356630286 /nfs/dbraw/zinc/63/02/86/356630286.db2.gz FEIGYAQVYYWFPF-UHFFFAOYSA-N 0 0 238.381 3.540 20 0 BHADRN Cc1cnc(NCC2(c3ccccc3)CC2)s1 ZINC000302822710 386939177 /nfs/dbraw/zinc/93/91/77/386939177.db2.gz FFVGINCPRNTQOV-UHFFFAOYSA-N 0 0 244.363 3.595 20 0 BHADRN Cc1cnc(N(C)[C@H](C)c2ccc(C)cc2)s1 ZINC000302824728 386938663 /nfs/dbraw/zinc/93/86/63/386938663.db2.gz GLBZLZWMMJEUKC-GFCCVEGCSA-N 0 0 246.379 3.957 20 0 BHADRN Cc1cnc(N(C)[C@@H](C)c2ccc(C)cc2)s1 ZINC000302824729 178884302 /nfs/dbraw/zinc/88/43/02/178884302.db2.gz GLBZLZWMMJEUKC-LBPRGKRZSA-N 0 0 246.379 3.957 20 0 BHADRN Cc1nnc(N[C@H](C)CC2CCCCC2)s1 ZINC000302826465 180436239 /nfs/dbraw/zinc/43/62/39/180436239.db2.gz 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CC(C)=CC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000302833846 644787542 /nfs/dbraw/zinc/78/75/42/644787542.db2.gz GGIIJFQSWMGUGA-CHWSQXEVSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000302833847 644786517 /nfs/dbraw/zinc/78/65/17/644786517.db2.gz GGIIJFQSWMGUGA-OLZOCXBDSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000302833848 644787644 /nfs/dbraw/zinc/78/76/44/644787644.db2.gz GGIIJFQSWMGUGA-QWHCGFSZSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000302833849 644787300 /nfs/dbraw/zinc/78/73/00/644787300.db2.gz GGIIJFQSWMGUGA-STQMWFEESA-N 0 0 237.387 3.674 20 0 BHADRN CCCN(c1ccc2ccccc2n1)C1CC1 ZINC000302836568 169182225 /nfs/dbraw/zinc/18/22/25/169182225.db2.gz WPQRTYUXRAVSJX-UHFFFAOYSA-N 0 0 226.323 3.614 20 0 BHADRN Fc1cccc(CN2CCc3ccccc32)c1F ZINC000302838361 490606726 /nfs/dbraw/zinc/60/67/26/490606726.db2.gz RNKFIUQUZMDNBS-UHFFFAOYSA-N 0 0 245.272 3.528 20 0 BHADRN CC(C)=CCN(C)Cc1ccccc1Cl ZINC000302839611 388849666 /nfs/dbraw/zinc/84/96/66/388849666.db2.gz XVUDGUKRGCUBNP-UHFFFAOYSA-N 0 0 223.747 3.738 20 0 BHADRN Cc1cnc(N2CCC[C@@H]2c2ccccc2)s1 ZINC000302841947 386939638 /nfs/dbraw/zinc/93/96/38/386939638.db2.gz MGVFFRWJIZRHLL-CYBMUJFWSA-N 0 0 244.363 3.793 20 0 BHADRN Cc1cnc(N2CCC[C@H]2c2ccccc2)s1 ZINC000302841949 179620959 /nfs/dbraw/zinc/62/09/59/179620959.db2.gz MGVFFRWJIZRHLL-ZDUSSCGKSA-N 0 0 244.363 3.793 20 0 BHADRN CCCCSCc1cccc(F)c1F ZINC000302842890 388849434 /nfs/dbraw/zinc/84/94/34/388849434.db2.gz AQGNDXWUUFLGCL-UHFFFAOYSA-N 0 0 216.296 3.998 20 0 BHADRN Cc1cnc(N[C@H](C)CC2CCCCC2)nc1 ZINC000302843919 179641189 /nfs/dbraw/zinc/64/11/89/179641189.db2.gz FJHFQWJHVYGOSY-GFCCVEGCSA-N 0 0 233.359 3.556 20 0 BHADRN CCC(C)(C)CNc1ncnc2c(F)cccc12 ZINC000302844539 168283428 /nfs/dbraw/zinc/28/34/28/168283428.db2.gz NLIGCORQOWFGMA-UHFFFAOYSA-N 0 0 247.317 3.617 20 0 BHADRN Cc1ccnc(N[C@H](C)CC2CCCCC2)n1 ZINC000302845875 386939024 /nfs/dbraw/zinc/93/90/24/386939024.db2.gz GMTURCKDFGTSFA-GFCCVEGCSA-N 0 0 233.359 3.556 20 0 BHADRN Cc1cnc(N[C@H](C)c2ccc(C)cc2)s1 ZINC000302846274 385008844 /nfs/dbraw/zinc/00/88/44/385008844.db2.gz NYVLHANBHIOKCU-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cnc(N[C@@H](C)c2ccc(C)cc2)s1 ZINC000302846275 385010387 /nfs/dbraw/zinc/01/03/87/385010387.db2.gz NYVLHANBHIOKCU-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN CC(C)CCCSc1cncc(Cl)n1 ZINC000302848905 166821047 /nfs/dbraw/zinc/82/10/47/166821047.db2.gz HXFNWBLJRMCBAV-UHFFFAOYSA-N 0 0 230.764 3.658 20 0 BHADRN Fc1ccc(OCCC(F)(F)F)c(Cl)c1 ZINC000302851097 388849424 /nfs/dbraw/zinc/84/94/24/388849424.db2.gz SQKZUTPHVMGJQU-UHFFFAOYSA-N 0 0 242.599 3.810 20 0 BHADRN Cc1cnc(N[C@H](C)Cc2cccs2)s1 ZINC000302855286 385009577 /nfs/dbraw/zinc/00/95/77/385009577.db2.gz RNTFSWOWIYLIBS-MRVPVSSYSA-N 0 0 238.381 3.556 20 0 BHADRN Cc1cnc(N[C@@H](C)Cc2cccs2)s1 ZINC000302855287 179639512 /nfs/dbraw/zinc/63/95/12/179639512.db2.gz RNTFSWOWIYLIBS-QMMMGPOBSA-N 0 0 238.381 3.556 20 0 BHADRN Cc1cc(N[C@H](C)CC2CCCCC2)ncn1 ZINC000302856669 178185763 /nfs/dbraw/zinc/18/57/63/178185763.db2.gz LZXNPGFLXDZGPX-GFCCVEGCSA-N 0 0 233.359 3.556 20 0 BHADRN Cc1cnc(N[C@@H]2C[C@H]2c2ccc(F)cc2)s1 ZINC000302857596 386941925 /nfs/dbraw/zinc/94/19/25/386941925.db2.gz MPOWXKQVSZFZEF-NWDGAFQWSA-N 0 0 248.326 3.559 20 0 BHADRN CC(C)=CCCNc1ncnc2c(F)cccc12 ZINC000302858153 386940519 /nfs/dbraw/zinc/94/05/19/386940519.db2.gz SWLXCSGLEHQRAE-UHFFFAOYSA-N 0 0 245.301 3.537 20 0 BHADRN Cc1cnc(N[C@@H]2CCc3cc(F)ccc32)s1 ZINC000302860098 386941481 /nfs/dbraw/zinc/94/14/81/386941481.db2.gz UMHVYJOTWIAUGD-GFCCVEGCSA-N 0 0 248.326 3.690 20 0 BHADRN Cc1cnc(N[C@H]2CCc3cc(F)ccc32)s1 ZINC000302860099 179642134 /nfs/dbraw/zinc/64/21/34/179642134.db2.gz UMHVYJOTWIAUGD-LBPRGKRZSA-N 0 0 248.326 3.690 20 0 BHADRN CC(C)C[C@H](C)Nc1ncnc2c(F)cccc12 ZINC000302861006 188216354 /nfs/dbraw/zinc/21/63/54/188216354.db2.gz UYWQAGBGXPXFKD-JTQLQIEISA-N 0 0 247.317 3.615 20 0 BHADRN CC(C)C[C@@H](C)Nc1ncnc2c(F)cccc12 ZINC000302861007 205975304 /nfs/dbraw/zinc/97/53/04/205975304.db2.gz UYWQAGBGXPXFKD-SNVBAGLBSA-N 0 0 247.317 3.615 20 0 BHADRN Cc1cnc(N(C)CCCc2ccccc2)s1 ZINC000302868431 386941402 /nfs/dbraw/zinc/94/14/02/386941402.db2.gz ZYJXRTYHDAHGRF-UHFFFAOYSA-N 0 0 246.379 3.521 20 0 BHADRN Cc1cnc(N2CCC[C@@H](C(C)C)CC2)s1 ZINC000302868623 386941556 /nfs/dbraw/zinc/94/15/56/386941556.db2.gz AMXUCVLVNHSFKL-GFCCVEGCSA-N 0 0 238.400 3.714 20 0 BHADRN Cc1cnc(N2CCC[C@H](C(C)C)CC2)s1 ZINC000302868627 386941637 /nfs/dbraw/zinc/94/16/37/386941637.db2.gz AMXUCVLVNHSFKL-LBPRGKRZSA-N 0 0 238.400 3.714 20 0 BHADRN CCC[C@H](CC)Nc1ncnc2c(F)cccc12 ZINC000302870122 384822173 /nfs/dbraw/zinc/82/21/73/384822173.db2.gz BBIBIYQYBFPJLH-JTQLQIEISA-N 0 0 247.317 3.760 20 0 BHADRN CCC[C@@H](CC)Nc1ncnc2c(F)cccc12 ZINC000302870124 169380039 /nfs/dbraw/zinc/38/00/39/169380039.db2.gz BBIBIYQYBFPJLH-SNVBAGLBSA-N 0 0 247.317 3.760 20 0 BHADRN Cc1cnc(N[C@@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000302871258 179640559 /nfs/dbraw/zinc/64/05/59/179640559.db2.gz YZYLGBCVICCTPE-NWDGAFQWSA-N 0 0 248.326 3.559 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ncnc2c(F)cccc12 ZINC000302873499 170775326 /nfs/dbraw/zinc/77/53/26/170775326.db2.gz CTSPCQISLWMIJF-NXEZZACHSA-N 0 0 247.317 3.615 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ncnc2c(F)cccc12 ZINC000302873500 171392261 /nfs/dbraw/zinc/39/22/61/171392261.db2.gz CTSPCQISLWMIJF-UWVGGRQHSA-N 0 0 247.317 3.615 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ncnc2c(F)cccc12 ZINC000302873501 171368024 /nfs/dbraw/zinc/36/80/24/171368024.db2.gz CTSPCQISLWMIJF-VHSXEESVSA-N 0 0 247.317 3.615 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ncnc2c(F)cccc12 ZINC000302873502 384818136 /nfs/dbraw/zinc/81/81/36/384818136.db2.gz CTSPCQISLWMIJF-ZJUUUORDSA-N 0 0 247.317 3.615 20 0 BHADRN CCc1ccccc1CNc1ncc(C)s1 ZINC000302875539 171884021 /nfs/dbraw/zinc/88/40/21/171884021.db2.gz FNJXBVYZIKPYLG-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCS[C@@H]1CCC[C@H]1Nc1ncc(C)s1 ZINC000302876997 385012235 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BHADRN CC(C)(C)COC(=O)c1coc2ccccc12 ZINC000303649888 644835393 /nfs/dbraw/zinc/83/53/93/644835393.db2.gz UBFHJGXXYGQQOD-UHFFFAOYSA-N 0 0 232.279 3.636 20 0 BHADRN Cc1cccc([C@H](C)NC(=O)CCC(C)C)c1C ZINC000303655115 350126264 /nfs/dbraw/zinc/12/62/64/350126264.db2.gz VDMLWYJWXQDRDN-AWEZNQCLSA-N 0 0 247.382 3.917 20 0 BHADRN Cc1cccc([C@@H](C)NC(=O)CCC(C)C)c1C ZINC000303655116 350126088 /nfs/dbraw/zinc/12/60/88/350126088.db2.gz VDMLWYJWXQDRDN-CQSZACIVSA-N 0 0 247.382 3.917 20 0 BHADRN Cc1ccnc(Nc2ccc(C(C)(C)C)cc2)n1 ZINC000303657225 388859306 /nfs/dbraw/zinc/85/93/06/388859306.db2.gz AGMSLNGNTZGMCI-UHFFFAOYSA-N 0 0 241.338 3.826 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1Nc1nccc(C)n1 ZINC000303658406 369430587 /nfs/dbraw/zinc/43/05/87/369430587.db2.gz ANUFQTVGJHPSGP-CHWSQXEVSA-N 0 0 233.359 3.556 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1Nc1nccc(C)n1 ZINC000303658408 369430811 /nfs/dbraw/zinc/43/08/11/369430811.db2.gz ANUFQTVGJHPSGP-OLZOCXBDSA-N 0 0 233.359 3.556 20 0 BHADRN CCCC[C@H]1CCC[C@H]1Nc1nccc(C)n1 ZINC000303658410 369430705 /nfs/dbraw/zinc/43/07/05/369430705.db2.gz ANUFQTVGJHPSGP-QWHCGFSZSA-N 0 0 233.359 3.556 20 0 BHADRN CCCC[C@H]1CCC[C@@H]1Nc1nccc(C)n1 ZINC000303658411 369430823 /nfs/dbraw/zinc/43/08/23/369430823.db2.gz ANUFQTVGJHPSGP-STQMWFEESA-N 0 0 233.359 3.556 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)C[C@H]2C=CCC2)c1 ZINC000303660858 644835088 /nfs/dbraw/zinc/83/50/88/644835088.db2.gz AYPANOGNHOTXRC-KGLIPLIRSA-N 0 0 244.334 3.956 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)C[C@@H]2C=CCC2)c1 ZINC000303660860 644835137 /nfs/dbraw/zinc/83/51/37/644835137.db2.gz AYPANOGNHOTXRC-ZIAGYGMSSA-N 0 0 244.334 3.956 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)CC(C)C)c1 ZINC000303667918 644835529 /nfs/dbraw/zinc/83/55/29/644835529.db2.gz CQKDORKEAHZADD-GFCCVEGCSA-N 0 0 220.312 3.645 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)CC(C)C)c1 ZINC000303667919 644835266 /nfs/dbraw/zinc/83/52/66/644835266.db2.gz CQKDORKEAHZADD-LBPRGKRZSA-N 0 0 220.312 3.645 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)C(C)(C)C)c1 ZINC000303670716 644835013 /nfs/dbraw/zinc/83/50/13/644835013.db2.gz DFDRSIPNNOWVPS-NSHDSACASA-N 0 0 220.312 3.645 20 0 BHADRN CCC(CC)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000303673354 323160169 /nfs/dbraw/zinc/16/01/69/323160169.db2.gz ZEVWPJAMIJHXEL-CYBMUJFWSA-N 0 0 247.382 3.917 20 0 BHADRN CCC(CC)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000303673355 323160250 /nfs/dbraw/zinc/16/02/50/323160250.db2.gz ZEVWPJAMIJHXEL-ZDUSSCGKSA-N 0 0 247.382 3.917 20 0 BHADRN COCCCCCOc1cc(C)ccc1Cl ZINC000303673625 369431734 /nfs/dbraw/zinc/43/17/34/369431734.db2.gz PUEBLUKIZYVKDD-UHFFFAOYSA-N 0 0 242.746 3.844 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NCCCC ZINC000303678066 644834895 /nfs/dbraw/zinc/83/48/95/644834895.db2.gz QZOLJLDXAKUCRT-CYBMUJFWSA-N 0 0 227.392 3.899 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NCCCC ZINC000303678067 644836459 /nfs/dbraw/zinc/83/64/59/644836459.db2.gz QZOLJLDXAKUCRT-ZDUSSCGKSA-N 0 0 227.392 3.899 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000303686751 635932903 /nfs/dbraw/zinc/93/29/03/635932903.db2.gz LNONXBUHYYWGHV-KLQYMRIWSA-N 0 0 249.398 3.794 20 0 BHADRN C/C=C/COC(=O)C[C@H](C)c1ccccc1C ZINC000303698947 644838398 /nfs/dbraw/zinc/83/83/98/644838398.db2.gz WVXLMNCTJZXBGL-IHVVCDCBSA-N 0 0 232.323 3.608 20 0 BHADRN C/C=C/COC(=O)C[C@@H](C)c1ccccc1C ZINC000303698949 644838490 /nfs/dbraw/zinc/83/84/90/644838490.db2.gz WVXLMNCTJZXBGL-MUBLQREKSA-N 0 0 232.323 3.608 20 0 BHADRN COCCCCN(c1cc(C)ccc1C)C(C)C ZINC000303703311 229329242 /nfs/dbraw/zinc/32/92/42/229329242.db2.gz OLXCRDLOBIOMBC-UHFFFAOYSA-N 0 0 249.398 3.945 20 0 BHADRN CCSc1nc2cc(Cl)cc(C)c2o1 ZINC000303707760 411169738 /nfs/dbraw/zinc/16/97/38/411169738.db2.gz SWAZKCMCGHNZBC-UHFFFAOYSA-N 0 0 227.716 3.902 20 0 BHADRN COc1ccccc1OCc1c(C)cccc1C ZINC000303708688 388859171 /nfs/dbraw/zinc/85/91/71/388859171.db2.gz CFZFXHYJGONLJZ-UHFFFAOYSA-N 0 0 242.318 3.891 20 0 BHADRN Cc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1C ZINC000303724157 644841545 /nfs/dbraw/zinc/84/15/45/644841545.db2.gz SEUBNBMXWZNMQD-GFCCVEGCSA-N 0 0 249.354 3.889 20 0 BHADRN Cc1cccc([C@H](C)NC(=O)OC(C)(C)C)c1C ZINC000303724160 644842619 /nfs/dbraw/zinc/84/26/19/644842619.db2.gz SEUBNBMXWZNMQD-LBPRGKRZSA-N 0 0 249.354 3.889 20 0 BHADRN Cc1ccc(CCSc2ccccn2)cc1 ZINC000303745409 323160115 /nfs/dbraw/zinc/16/01/15/323160115.db2.gz FVTYBJKBQGAXRH-UHFFFAOYSA-N 0 0 229.348 3.725 20 0 BHADRN CCCN(Cc1c(C)cccc1C)CC(F)F ZINC000303750240 323160245 /nfs/dbraw/zinc/16/02/45/323160245.db2.gz LLNYOBXYNOIGAT-UHFFFAOYSA-N 0 0 241.325 3.781 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)c2cccs2)c1 ZINC000303751372 644842093 /nfs/dbraw/zinc/84/20/93/644842093.db2.gz HXIJAKYVHYRMRA-LLVKDONJSA-N 0 0 246.331 3.975 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)c2cccs2)c1 ZINC000303751374 644842827 /nfs/dbraw/zinc/84/28/27/644842827.db2.gz HXIJAKYVHYRMRA-NSHDSACASA-N 0 0 246.331 3.975 20 0 BHADRN Cc1ccnc(NCC2CCCCCCC2)n1 ZINC000303752279 644842663 /nfs/dbraw/zinc/84/26/63/644842663.db2.gz IGIHKHRPSOLVNT-UHFFFAOYSA-N 0 0 233.359 3.557 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@H]2CC=CCC2)c1 ZINC000303752657 644842893 /nfs/dbraw/zinc/84/28/93/644842893.db2.gz IIOPTATUTCEARH-KBPBESRZSA-N 0 0 244.334 3.956 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)[C@H]2CC=CCC2)c1 ZINC000303752658 644841910 /nfs/dbraw/zinc/84/19/10/644841910.db2.gz IIOPTATUTCEARH-KGLIPLIRSA-N 0 0 244.334 3.956 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@@H]2CC=CCC2)c1 ZINC000303752659 644843673 /nfs/dbraw/zinc/84/36/73/644843673.db2.gz IIOPTATUTCEARH-UONOGXRCSA-N 0 0 244.334 3.956 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)[C@@H]2CC=CCC2)c1 ZINC000303752660 644843224 /nfs/dbraw/zinc/84/32/24/644843224.db2.gz IIOPTATUTCEARH-ZIAGYGMSSA-N 0 0 244.334 3.956 20 0 BHADRN CC[C@@H](C)Sc1nc2cc(C)ccc2[nH]1 ZINC000303754358 369434441 /nfs/dbraw/zinc/43/44/41/369434441.db2.gz GDEMDHHSYYNMPT-SECBINFHSA-N 0 0 220.341 3.762 20 0 BHADRN CC[C@H](C)Sc1nc2cc(C)ccc2[nH]1 ZINC000303754360 369434791 /nfs/dbraw/zinc/43/47/91/369434791.db2.gz GDEMDHHSYYNMPT-VIFPVBQESA-N 0 0 220.341 3.762 20 0 BHADRN CCCCC(=O)O[C@@H](C)c1cccc(C)c1 ZINC000303755422 644843212 /nfs/dbraw/zinc/84/32/12/644843212.db2.gz JFPQHKPFJJAAHL-LBPRGKRZSA-N 0 0 220.312 3.789 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)C2CCCC2)c1 ZINC000303758697 644843446 /nfs/dbraw/zinc/84/34/46/644843446.db2.gz KFLTXHQXBJPBSV-GFCCVEGCSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)C2CCCC2)c1 ZINC000303758699 644843695 /nfs/dbraw/zinc/84/36/95/644843695.db2.gz KFLTXHQXBJPBSV-LBPRGKRZSA-N 0 0 232.323 3.789 20 0 BHADRN CC[C@H](OC(=O)C(C)C)C(C)(C)c1ccccc1 ZINC000303760557 644844720 /nfs/dbraw/zinc/84/47/20/644844720.db2.gz CMYTYWNXXLWNFR-AWEZNQCLSA-N 0 0 248.366 3.942 20 0 BHADRN CC[C@@H](OC(=O)C(C)C)C(C)(C)c1ccccc1 ZINC000303760558 644844954 /nfs/dbraw/zinc/84/49/54/644844954.db2.gz CMYTYWNXXLWNFR-CQSZACIVSA-N 0 0 248.366 3.942 20 0 BHADRN Cc1cccc(C(C)(C)NC(=O)CC(C)(C)C)c1 ZINC000303768470 369435436 /nfs/dbraw/zinc/43/54/36/369435436.db2.gz MNXSPMVDWBDULO-UHFFFAOYSA-N 0 0 247.382 3.783 20 0 BHADRN C/C=C/C=C/C(=O)O[C@H](C)c1cccc(C)c1 ZINC000303774998 644845108 /nfs/dbraw/zinc/84/51/08/644845108.db2.gz NMABBZYZFCMEBD-QEAFCZJCSA-N 0 0 230.307 3.732 20 0 BHADRN C/C=C/C=C/C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000303775000 635644485 /nfs/dbraw/zinc/64/44/85/635644485.db2.gz NMABBZYZFCMEBD-WROVLRHPSA-N 0 0 230.307 3.732 20 0 BHADRN Fc1ccc(F)c(OCCCc2ccccc2)c1 ZINC000303775984 259363602 /nfs/dbraw/zinc/36/36/02/259363602.db2.gz NRJNAFREXZARBC-UHFFFAOYSA-N 0 0 248.272 3.976 20 0 BHADRN Cc1cccc(C)c1CN(CC(F)F)C1CC1 ZINC000303778002 179035124 /nfs/dbraw/zinc/03/51/24/179035124.db2.gz RZMSPFUVSJRPKV-UHFFFAOYSA-N 0 0 239.309 3.533 20 0 BHADRN CCCCCCOC(=O)[C@H](C)c1cccs1 ZINC000303784229 644846392 /nfs/dbraw/zinc/84/63/92/644846392.db2.gz IWWOCPPDEHOPCV-LLVKDONJSA-N 0 0 240.368 3.975 20 0 BHADRN CCCCCCOC(=O)[C@@H](C)c1cccs1 ZINC000303784230 644846328 /nfs/dbraw/zinc/84/63/28/644846328.db2.gz IWWOCPPDEHOPCV-NSHDSACASA-N 0 0 240.368 3.975 20 0 BHADRN CC[C@@H](C)C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000303791744 644847977 /nfs/dbraw/zinc/84/79/77/644847977.db2.gz QJUYIZWHKKYDHN-NEPJUHHUSA-N 0 0 220.312 3.645 20 0 BHADRN CC[C@H](C)C(=O)O[C@H](C)c1cccc(C)c1 ZINC000303791746 644847804 /nfs/dbraw/zinc/84/78/04/644847804.db2.gz QJUYIZWHKKYDHN-NWDGAFQWSA-N 0 0 220.312 3.645 20 0 BHADRN CC[C@H](C)C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000303791748 644847442 /nfs/dbraw/zinc/84/74/42/644847442.db2.gz QJUYIZWHKKYDHN-RYUDHWBXSA-N 0 0 220.312 3.645 20 0 BHADRN CC[C@@H](C)C(=O)O[C@H](C)c1cccc(C)c1 ZINC000303791750 644848157 /nfs/dbraw/zinc/84/81/57/644848157.db2.gz QJUYIZWHKKYDHN-VXGBXAGGSA-N 0 0 220.312 3.645 20 0 BHADRN CC(=O)c1cccc(OCCC2CCCC2)c1 ZINC000303796474 527374623 /nfs/dbraw/zinc/37/46/23/527374623.db2.gz BIKLEPSPVLMBRA-UHFFFAOYSA-N 0 0 232.323 3.848 20 0 BHADRN c1nc2ccccc2n1CCC1CCCC1 ZINC000303798108 534535723 /nfs/dbraw/zinc/53/57/23/534535723.db2.gz QGKJKOSSQFCZQE-UHFFFAOYSA-N 0 0 214.312 3.617 20 0 BHADRN Cc1ccnc(NCCCC2CCCCC2)n1 ZINC000303799147 369435462 /nfs/dbraw/zinc/43/54/62/369435462.db2.gz SAKQIFJHABHBEL-UHFFFAOYSA-N 0 0 233.359 3.557 20 0 BHADRN CC1(C)CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000303806725 387398445 /nfs/dbraw/zinc/39/84/45/387398445.db2.gz BDGJWRIBKQEHGG-UHFFFAOYSA-N 0 0 249.329 3.524 20 0 BHADRN Cc1ccc(OCc2c(C)cccc2C)cn1 ZINC000303806916 178815330 /nfs/dbraw/zinc/81/53/30/178815330.db2.gz XZWRVOVTJJZSHF-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN C/C=C/COC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000303807286 636311986 /nfs/dbraw/zinc/31/19/86/636311986.db2.gz KOGBCHXPCRUJNJ-MBVDDHJVSA-N 0 0 246.350 3.621 20 0 BHADRN C/C=C/COC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000303807287 644848995 /nfs/dbraw/zinc/84/89/95/644848995.db2.gz KOGBCHXPCRUJNJ-RGDDUWESSA-N 0 0 246.350 3.621 20 0 BHADRN CCCCCC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000303811982 369437030 /nfs/dbraw/zinc/43/70/30/369437030.db2.gz ZCOYUPGZWWBRNV-AWEZNQCLSA-N 0 0 247.382 3.795 20 0 BHADRN CCCCCC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000303811983 369437686 /nfs/dbraw/zinc/43/76/86/369437686.db2.gz ZCOYUPGZWWBRNV-CQSZACIVSA-N 0 0 247.382 3.795 20 0 BHADRN CC(C)(C)CCCNC(=O)CCC1CCCC1 ZINC000303812744 388861454 /nfs/dbraw/zinc/86/14/54/388861454.db2.gz LKYSWALQIBZTMH-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN Cc1cccc(C)c1C(=O)N[C@@H](C)CCC(C)C ZINC000303815040 323160276 /nfs/dbraw/zinc/16/02/76/323160276.db2.gz LSUYJGSFVWUMRC-AWEZNQCLSA-N 0 0 247.382 3.858 20 0 BHADRN Cc1cccc(C)c1C(=O)N[C@H](C)CCC(C)C ZINC000303815041 323160097 /nfs/dbraw/zinc/16/00/97/323160097.db2.gz LSUYJGSFVWUMRC-CQSZACIVSA-N 0 0 247.382 3.858 20 0 BHADRN CCCN(C)C(=O)/C=C(/CC)c1ccc(C)cc1 ZINC000303818177 644849230 /nfs/dbraw/zinc/84/92/30/644849230.db2.gz DIDMNNPBOFSNKD-OWBHPGMISA-N 0 0 245.366 3.657 20 0 BHADRN CCC(CC)NC(=O)N[C@H](C)CCC(C)(C)C ZINC000303820890 369437053 /nfs/dbraw/zinc/43/70/53/369437053.db2.gz XOWLMOINMLSYRQ-LLVKDONJSA-N 0 0 242.407 3.689 20 0 BHADRN CCC(CC)NC(=O)N[C@@H](C)CCC(C)(C)C ZINC000303820891 369437149 /nfs/dbraw/zinc/43/71/49/369437149.db2.gz XOWLMOINMLSYRQ-NSHDSACASA-N 0 0 242.407 3.689 20 0 BHADRN CCCCCC(=O)NC(C)(C)c1cccc(C)c1 ZINC000303820919 369437603 /nfs/dbraw/zinc/43/76/03/369437603.db2.gz XQCBLIRCPARQOI-UHFFFAOYSA-N 0 0 247.382 3.927 20 0 BHADRN Cc1ccnc(N[C@H]2CCC[C@H]2CCC(C)C)n1 ZINC000303821668 369438565 /nfs/dbraw/zinc/43/85/65/369438565.db2.gz XWHWMTCWJNNWHS-KBPBESRZSA-N 0 0 247.386 3.802 20 0 BHADRN Cc1ccnc(N[C@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000303821669 369439122 /nfs/dbraw/zinc/43/91/22/369439122.db2.gz XWHWMTCWJNNWHS-KGLIPLIRSA-N 0 0 247.386 3.802 20 0 BHADRN Cc1ccnc(N[C@@H]2CCC[C@H]2CCC(C)C)n1 ZINC000303821670 369438553 /nfs/dbraw/zinc/43/85/53/369438553.db2.gz XWHWMTCWJNNWHS-UONOGXRCSA-N 0 0 247.386 3.802 20 0 BHADRN Cc1ccnc(N[C@@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000303821671 369439083 /nfs/dbraw/zinc/43/90/83/369439083.db2.gz XWHWMTCWJNNWHS-ZIAGYGMSSA-N 0 0 247.386 3.802 20 0 BHADRN COC(C)(C)CCOc1ccc(Cl)cc1F ZINC000303823979 532950771 /nfs/dbraw/zinc/95/07/71/532950771.db2.gz CZBXKALJDIUMKK-UHFFFAOYSA-N 0 0 246.709 3.673 20 0 BHADRN CCSCCN(C)c1cccc(C(C)C)c1 ZINC000303825218 369439138 /nfs/dbraw/zinc/43/91/38/369439138.db2.gz 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BHADRN CC(C)C[C@@H](C)OC(=O)[C@H](C)c1cccs1 ZINC000303886235 644854777 /nfs/dbraw/zinc/85/47/77/644854777.db2.gz ZAGDKPYFIHMQKN-GHMZBOCLSA-N 0 0 240.368 3.829 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)[C@@H](C)c1cccs1 ZINC000303886238 644855040 /nfs/dbraw/zinc/85/50/40/644855040.db2.gz ZAGDKPYFIHMQKN-MNOVXSKESA-N 0 0 240.368 3.829 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@@H](C)c1cccs1 ZINC000303886239 644854089 /nfs/dbraw/zinc/85/40/89/644854089.db2.gz ZAGDKPYFIHMQKN-QWRGUYRKSA-N 0 0 240.368 3.829 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@H](C)c1cccs1 ZINC000303886241 644854480 /nfs/dbraw/zinc/85/44/80/644854480.db2.gz ZAGDKPYFIHMQKN-WDEREUQCSA-N 0 0 240.368 3.829 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000303894572 369441904 /nfs/dbraw/zinc/44/19/04/369441904.db2.gz PDIGMSJJEKUQGP-HZSPNIEDSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000303894573 369441845 /nfs/dbraw/zinc/44/18/45/369441845.db2.gz PDIGMSJJEKUQGP-IHRRRGAJSA-N 0 0 239.403 3.754 20 0 BHADRN 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528091272 /nfs/dbraw/zinc/09/12/72/528091272.db2.gz ZEUSTOLIRFLZKA-GFCCVEGCSA-N 0 0 249.354 3.793 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)Nc1cccc(O)c1 ZINC000308095194 528912900 /nfs/dbraw/zinc/91/29/00/528912900.db2.gz ZEUSTOLIRFLZKA-LBPRGKRZSA-N 0 0 249.354 3.793 20 0 BHADRN Fc1ccccc1SC/C=C\Cl ZINC000308095329 642363965 /nfs/dbraw/zinc/36/39/65/642363965.db2.gz XXPBGHLQIJFRQD-UTCJRWHESA-N 0 0 202.681 3.670 20 0 BHADRN CC[C@H]([NH2+]C/C=C\Cl)c1cccs1 ZINC000308099445 642439001 /nfs/dbraw/zinc/43/90/01/642439001.db2.gz BBQPOSLIJOJYDC-RNEXMXFGSA-N 0 0 215.749 3.541 20 0 BHADRN Fc1c(Cl)cccc1NC/C=C\Cl ZINC000308100431 642367453 /nfs/dbraw/zinc/36/74/53/642367453.db2.gz DIKHVPSECWCZPT-DJWKRKHSSA-N 0 0 220.074 3.644 20 0 BHADRN Fc1cc(Cl)cc(NC/C=C\Cl)c1 ZINC000308100985 642367353 /nfs/dbraw/zinc/36/73/53/642367353.db2.gz FNKWZVRMZFHRHB-UPHRSURJSA-N 0 0 220.074 3.644 20 0 BHADRN Cc1ccc(NC/C=C\Cl)c(Cl)c1 ZINC000308104249 642367346 /nfs/dbraw/zinc/36/73/46/642367346.db2.gz MANJXHKKVRUNBC-DJWKRKHSSA-N 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/nfs/dbraw/zinc/40/35/20/642403520.db2.gz GPCRCSQXBFNPKG-ZCFIWIBFSA-N 0 0 218.259 3.665 20 0 BHADRN CC(C)OCCSC(C)(C)C(C)C ZINC000308139129 642401967 /nfs/dbraw/zinc/40/19/67/642401967.db2.gz HILJNPNQHBUPIX-UHFFFAOYSA-N 0 0 204.379 3.579 20 0 BHADRN CSCCSc1cccc(Cl)c1 ZINC000308141871 642459121 /nfs/dbraw/zinc/45/91/21/642459121.db2.gz HUDQNPQBSPNOQJ-UHFFFAOYSA-N 0 0 218.774 3.795 20 0 BHADRN CSCCCc1ccc(Cl)cc1 ZINC000308142515 229222547 /nfs/dbraw/zinc/22/25/47/229222547.db2.gz HZPVRCIVSMWJSS-UHFFFAOYSA-N 0 0 200.734 3.636 20 0 BHADRN FCCCCNc1ccccc1Br ZINC000308142877 180928516 /nfs/dbraw/zinc/92/85/16/180928516.db2.gz MKNSHQIGCRWQLN-UHFFFAOYSA-N 0 0 246.123 3.611 20 0 BHADRN C[C@H](CSC1CCCC1)C(F)(F)F ZINC000308143282 534137721 /nfs/dbraw/zinc/13/77/21/534137721.db2.gz ADKZCWLDWSBWBL-SSDOTTSWSA-N 0 0 212.280 3.861 20 0 BHADRN C[C@@H](CSC1CCCC1)C(F)(F)F ZINC000308143285 388433003 /nfs/dbraw/zinc/43/30/03/388433003.db2.gz ADKZCWLDWSBWBL-ZETCQYMHSA-N 0 0 212.280 3.861 20 0 BHADRN 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167335302 /nfs/dbraw/zinc/33/53/02/167335302.db2.gz SSMWIQOJHFJZSK-UHFFFAOYSA-N 0 0 215.387 3.908 20 0 BHADRN C/C(=C/Cl)CSCC(F)(F)C(F)F ZINC000308161170 633186800 /nfs/dbraw/zinc/18/68/00/633186800.db2.gz VEKBQRXGCQJMTC-DJWKRKHSSA-N 0 0 236.661 3.763 20 0 BHADRN C/C(=C\Cl)CSCC(F)(F)C(F)F ZINC000308161171 642466520 /nfs/dbraw/zinc/46/65/20/642466520.db2.gz VEKBQRXGCQJMTC-GORDUTHDSA-N 0 0 236.661 3.763 20 0 BHADRN ClC1(Cl)C[C@@H]1CSCC1CCC1 ZINC000308162074 642467218 /nfs/dbraw/zinc/46/72/18/642467218.db2.gz RVIUWPAQASQEIB-MRVPVSSYSA-N 0 0 225.184 3.714 20 0 BHADRN ClC1(Cl)C[C@H]1CSCC1CCC1 ZINC000308162078 642478882 /nfs/dbraw/zinc/47/88/82/642478882.db2.gz RVIUWPAQASQEIB-QMMMGPOBSA-N 0 0 225.184 3.714 20 0 BHADRN CC(C)[C@H](C)SCCOC(C)(C)C ZINC000308162755 385472691 /nfs/dbraw/zinc/47/26/91/385472691.db2.gz WEEQMWAGKOOWIC-JTQLQIEISA-N 0 0 204.379 3.579 20 0 BHADRN CC(C)[C@@H](C)SCCOC(C)(C)C ZINC000308162756 167388180 /nfs/dbraw/zinc/38/81/80/167388180.db2.gz WEEQMWAGKOOWIC-SNVBAGLBSA-N 0 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/nfs/dbraw/zinc/44/06/42/388440642.db2.gz NDIOZRZDZAVNMD-UHFFFAOYSA-N 0 0 215.699 3.892 20 0 BHADRN FCCCCNc1cc(F)cc(Cl)c1 ZINC000308482564 135420932 /nfs/dbraw/zinc/42/09/32/135420932.db2.gz HPMOLHUJLWZRCA-UHFFFAOYSA-N 0 0 219.662 3.641 20 0 BHADRN CCCCSCc1sc(C)nc1C ZINC000308484966 350751684 /nfs/dbraw/zinc/75/16/84/350751684.db2.gz OSGNZGCMDSCVJH-UHFFFAOYSA-N 0 0 215.387 3.793 20 0 BHADRN FCCCCNc1ncc(Cl)cc1Cl ZINC000308486885 384745097 /nfs/dbraw/zinc/74/50/97/384745097.db2.gz NXDALAOAIHVDFF-UHFFFAOYSA-N 0 0 237.105 3.550 20 0 BHADRN CC(C)(NCc1cscc1Cl)C(F)F ZINC000308487702 491136551 /nfs/dbraw/zinc/13/65/51/491136551.db2.gz ALRBMJNWGRYXQS-UHFFFAOYSA-N 0 0 239.718 3.535 20 0 BHADRN CCCCCSCOC1CCCC1 ZINC000308491433 631401011 /nfs/dbraw/zinc/40/10/11/631401011.db2.gz RIOFMRJMDQTOBD-UHFFFAOYSA-N 0 0 202.363 3.827 20 0 BHADRN CC[C@@H]1CC[C@@H](C)[N@@H+]1C/C(Cl)=C\Cl ZINC000308493607 631402262 /nfs/dbraw/zinc/40/22/62/631402262.db2.gz SJYZYGLINMMFMG-GCWOIFJASA-N 0 0 222.159 3.568 20 0 BHADRN CC[C@@H]1CC[C@H](C)[N@@H+]1C/C(Cl)=C\Cl ZINC000308493608 631403590 /nfs/dbraw/zinc/40/35/90/631403590.db2.gz SJYZYGLINMMFMG-YSPXFBHJSA-N 0 0 222.159 3.568 20 0 BHADRN CC[C@@H](F)CSc1ccc(N)cc1Cl ZINC000308494370 384753124 /nfs/dbraw/zinc/75/31/24/384753124.db2.gz BHVKSSQDWSELBQ-SSDOTTSWSA-N 0 0 233.739 3.762 20 0 BHADRN CC[C@H](F)CSc1ccc(N)cc1Cl ZINC000308494371 384754328 /nfs/dbraw/zinc/75/43/28/384754328.db2.gz BHVKSSQDWSELBQ-ZETCQYMHSA-N 0 0 233.739 3.762 20 0 BHADRN C[C@@H]([NH2+]Cc1ccsc1Cl)C1CCC1 ZINC000308498204 491136628 /nfs/dbraw/zinc/13/66/28/491136628.db2.gz FDXYKFFIZJAYFS-MRVPVSSYSA-N 0 0 229.776 3.680 20 0 BHADRN C[C@H]([NH2+]Cc1ccsc1Cl)C1CCC1 ZINC000308498205 491136636 /nfs/dbraw/zinc/13/66/36/491136636.db2.gz FDXYKFFIZJAYFS-QMMMGPOBSA-N 0 0 229.776 3.680 20 0 BHADRN CCCc1csc(NCCC(C)C)n1 ZINC000308499487 388440621 /nfs/dbraw/zinc/44/06/21/388440621.db2.gz FUSLZLRSVSJCFN-UHFFFAOYSA-N 0 0 212.362 3.554 20 0 BHADRN CC(C)(NCc1ccsc1Cl)C(F)F ZINC000308500258 491136554 /nfs/dbraw/zinc/13/65/54/491136554.db2.gz GEGCYTZQKCFPAZ-UHFFFAOYSA-N 0 0 239.718 3.535 20 0 BHADRN CCC(CC)Nc1nc(C2CC2)cs1 ZINC000308500576 711524589 /nfs/dbraw/zinc/52/45/89/711524589.db2.gz GJTXCIFGMVPLHK-UHFFFAOYSA-N 0 0 210.346 3.621 20 0 BHADRN CC(C)CCNc1ncc(C(C)C)s1 ZINC000308500905 527743777 /nfs/dbraw/zinc/74/37/77/527743777.db2.gz GMKNCVUEQZZTTQ-UHFFFAOYSA-N 0 0 212.362 3.725 20 0 BHADRN CC(C)C[C@H](C)Sc1cccc(O)c1 ZINC000308501033 528486913 /nfs/dbraw/zinc/48/69/13/528486913.db2.gz WLEPPRNAEOCYTC-JTQLQIEISA-N 0 0 210.342 3.919 20 0 BHADRN CC(C)C[C@@H](C)Sc1cccc(O)c1 ZINC000308501034 528278763 /nfs/dbraw/zinc/27/87/63/528278763.db2.gz WLEPPRNAEOCYTC-SNVBAGLBSA-N 0 0 210.342 3.919 20 0 BHADRN CCC(CC)Nc1ncc(C(C)C)s1 ZINC000308501577 363071643 /nfs/dbraw/zinc/07/16/43/363071643.db2.gz GVTUXYKUPKAXHU-UHFFFAOYSA-N 0 0 212.362 3.867 20 0 BHADRN C[C@@H](F)CCSc1ccc(N)cc1Cl ZINC000308505491 175790740 /nfs/dbraw/zinc/79/07/40/175790740.db2.gz IKNIQJOVUHUMBF-SSDOTTSWSA-N 0 0 233.739 3.762 20 0 BHADRN C[C@H](F)CCSc1ccc(N)cc1Cl ZINC000308505492 176742257 /nfs/dbraw/zinc/74/22/57/176742257.db2.gz IKNIQJOVUHUMBF-ZETCQYMHSA-N 0 0 233.739 3.762 20 0 BHADRN CCCCCSCCOCCCC ZINC000308505657 363071601 /nfs/dbraw/zinc/07/16/01/363071601.db2.gz ZBQJFDNIQHSRBK-UHFFFAOYSA-N 0 0 204.379 3.727 20 0 BHADRN FCCCCCOc1cccc(Cl)c1 ZINC000308506571 363071546 /nfs/dbraw/zinc/07/15/46/363071546.db2.gz ZELWWHBOMIUQIC-UHFFFAOYSA-N 0 0 216.683 3.859 20 0 BHADRN CSCCCOc1cc(C)ccc1Cl ZINC000308513833 388441259 /nfs/dbraw/zinc/44/12/59/388441259.db2.gz UCVSZFLVXBSNKI-UHFFFAOYSA-N 0 0 230.760 3.780 20 0 BHADRN Fc1ccc(OC/C(Cl)=C\Cl)c(F)c1 ZINC000308514290 631409592 /nfs/dbraw/zinc/40/95/92/631409592.db2.gz UFJGNAIZTOYFRD-GQCTYLIASA-N 0 0 239.048 3.663 20 0 BHADRN CC(C)SCCOc1cccc(Cl)c1 ZINC000308514458 528321988 /nfs/dbraw/zinc/32/19/88/528321988.db2.gz DPDKDXFLFMLZRW-UHFFFAOYSA-N 0 0 230.760 3.860 20 0 BHADRN FCCCCNc1cccc(F)c1Cl ZINC000308523184 180927919 /nfs/dbraw/zinc/92/79/19/180927919.db2.gz VLFYZDVQZBIIHV-UHFFFAOYSA-N 0 0 219.662 3.641 20 0 BHADRN Clc1sccc1CNCc1ccsc1 ZINC000308524306 384780470 /nfs/dbraw/zinc/78/04/70/384780470.db2.gz WKEWKBWZPPUWOV-UHFFFAOYSA-N 0 0 243.784 3.753 20 0 BHADRN C[C@@H](NCCc1ccc(Cl)cc1)C(C)(F)F ZINC000308527110 388441662 /nfs/dbraw/zinc/44/16/62/388441662.db2.gz PMWSYMYDLWTQKH-SECBINFHSA-N 0 0 247.716 3.516 20 0 BHADRN C[C@H](NCCc1ccc(Cl)cc1)C(C)(F)F ZINC000308527111 388441356 /nfs/dbraw/zinc/44/13/56/388441356.db2.gz PMWSYMYDLWTQKH-VIFPVBQESA-N 0 0 247.716 3.516 20 0 BHADRN FCCCCNc1ccc(F)c(Cl)c1 ZINC000308535062 384787068 /nfs/dbraw/zinc/78/70/68/384787068.db2.gz LXVPVBNWZGQLDQ-UHFFFAOYSA-N 0 0 219.662 3.641 20 0 BHADRN Cc1c(Cl)cccc1NCCCCF ZINC000308543341 388442622 /nfs/dbraw/zinc/44/26/22/388442622.db2.gz OTAHPYKSGFBYIH-UHFFFAOYSA-N 0 0 215.699 3.810 20 0 BHADRN CC(C)SCCOc1ccc(Cl)cc1 ZINC000308546852 388442682 /nfs/dbraw/zinc/44/26/82/388442682.db2.gz OFHSTIRTSPCUMH-UHFFFAOYSA-N 0 0 230.760 3.860 20 0 BHADRN FC(F)(F)CCCNc1ncc(Cl)s1 ZINC000308551141 491137110 /nfs/dbraw/zinc/13/71/10/491137110.db2.gz XDDIMYCXAXHKQP-UHFFFAOYSA-N 0 0 244.669 3.551 20 0 BHADRN CC(C)SCCOc1ccccc1Cl ZINC000308551576 528321600 /nfs/dbraw/zinc/32/16/00/528321600.db2.gz QIEVGDBZSKQAGS-UHFFFAOYSA-N 0 0 230.760 3.860 20 0 BHADRN FCCCCNc1c(F)cccc1Cl ZINC000308551870 384799264 /nfs/dbraw/zinc/79/92/64/384799264.db2.gz SGYCVUBRBAOWER-UHFFFAOYSA-N 0 0 219.662 3.641 20 0 BHADRN Cc1ccc(NCCCCF)c(Cl)c1 ZINC000308552114 388442516 /nfs/dbraw/zinc/44/25/16/388442516.db2.gz SMLBXNWSHHFNBO-UHFFFAOYSA-N 0 0 215.699 3.810 20 0 BHADRN Fc1ccc(Cl)c(OCCC2CC2)c1 ZINC000308552173 384799431 /nfs/dbraw/zinc/79/94/31/384799431.db2.gz QONYSUYSTQJUAJ-UHFFFAOYSA-N 0 0 214.667 3.658 20 0 BHADRN FCCCCNc1cc(Cl)ccc1F ZINC000308553036 384799705 /nfs/dbraw/zinc/79/97/05/384799705.db2.gz SWBIVUUTNOOKHB-UHFFFAOYSA-N 0 0 219.662 3.641 20 0 BHADRN FCCCCNc1cc(F)ccc1Cl ZINC000308558039 326135501 /nfs/dbraw/zinc/13/55/01/326135501.db2.gz VJUMITSGBFUSNS-UHFFFAOYSA-N 0 0 219.662 3.641 20 0 BHADRN Clc1nc(CSCc2ccco2)cs1 ZINC000308558579 631339840 /nfs/dbraw/zinc/33/98/40/631339840.db2.gz VSBNYWHKXDYTBW-UHFFFAOYSA-N 0 0 245.756 3.823 20 0 BHADRN CC(C)CCOc1ccc(Cl)cc1F ZINC000308565523 388442432 /nfs/dbraw/zinc/44/24/32/388442432.db2.gz YDHMTSIAKPQEQS-UHFFFAOYSA-N 0 0 216.683 3.904 20 0 BHADRN C[C@H](CCC1CC1)Nc1ncc(Cl)s1 ZINC000308569188 491137063 /nfs/dbraw/zinc/13/70/63/491137063.db2.gz JIOFVNHYPXGVMJ-SSDOTTSWSA-N 0 0 230.764 3.787 20 0 BHADRN C[C@@H](CCC1CC1)Nc1ncc(Cl)s1 ZINC000308569190 538116908 /nfs/dbraw/zinc/11/69/08/538116908.db2.gz JIOFVNHYPXGVMJ-ZETCQYMHSA-N 0 0 230.764 3.787 20 0 BHADRN CCCCNc1cc(SC)ccc1C ZINC000308574702 388443190 /nfs/dbraw/zinc/44/31/90/388443190.db2.gz DAZJJASGGKEUAS-UHFFFAOYSA-N 0 0 209.358 3.929 20 0 BHADRN C[C@@H](O)CCCSc1ccc(Cl)cc1 ZINC000308581325 384823817 /nfs/dbraw/zinc/82/38/17/384823817.db2.gz PIQTUSWYXZLTLU-SECBINFHSA-N 0 0 230.760 3.593 20 0 BHADRN C[C@H](O)CCCSc1ccc(Cl)cc1 ZINC000308581326 384822994 /nfs/dbraw/zinc/82/29/94/384822994.db2.gz PIQTUSWYXZLTLU-VIFPVBQESA-N 0 0 230.760 3.593 20 0 BHADRN Cc1cccc(Cl)c1NCCCCF ZINC000308590043 388444383 /nfs/dbraw/zinc/44/43/83/388444383.db2.gz JYPNLSUCEZJSFQ-UHFFFAOYSA-N 0 0 215.699 3.810 20 0 BHADRN CCCc1cnc(NCC(C)(C)C)s1 ZINC000308593210 388444164 /nfs/dbraw/zinc/44/41/64/388444164.db2.gz LDNIBVCYEUREDW-UHFFFAOYSA-N 0 0 212.362 3.554 20 0 BHADRN CC(C)c1nccn1CCc1ccc(Cl)cc1 ZINC000308596259 528372523 /nfs/dbraw/zinc/37/25/23/528372523.db2.gz MPUYXKLWFOBCKN-UHFFFAOYSA-N 0 0 248.757 3.903 20 0 BHADRN CCc1cccc(C)c1NC/C=C\Cl ZINC000308599633 631342154 /nfs/dbraw/zinc/34/21/54/631342154.db2.gz NUNMLZVVZBNGLL-YVMONPNESA-N 0 0 209.720 3.722 20 0 BHADRN FC1(F)CC[C@H](COc2ccccc2)C1 ZINC000308604385 388444328 /nfs/dbraw/zinc/44/43/28/388444328.db2.gz NZEGDVUHAFGLFJ-JTQLQIEISA-N 0 0 212.239 3.501 20 0 BHADRN FC1(F)CC[C@@H](COc2ccccc2)C1 ZINC000308604387 388444208 /nfs/dbraw/zinc/44/42/08/388444208.db2.gz NZEGDVUHAFGLFJ-SNVBAGLBSA-N 0 0 212.239 3.501 20 0 BHADRN CCCCNc1c(C)cccc1SC ZINC000308622188 528555746 /nfs/dbraw/zinc/55/57/46/528555746.db2.gz UKRLMOSSDXBIGC-UHFFFAOYSA-N 0 0 209.358 3.929 20 0 BHADRN CCCCNc1ccc(Cl)cc1OC ZINC000308633466 631444237 /nfs/dbraw/zinc/44/42/37/631444237.db2.gz ZZHNQCYPAXVALF-UHFFFAOYSA-N 0 0 213.708 3.561 20 0 BHADRN CCCNc1nc(C(C)(C)CC)cs1 ZINC000308643650 388447249 /nfs/dbraw/zinc/44/72/49/388447249.db2.gz FRYPDIHUADULQB-UHFFFAOYSA-N 0 0 212.362 3.653 20 0 BHADRN C[C@H](C[NH2+]Cc1ccsc1Cl)C1CC1 ZINC000308650156 491137523 /nfs/dbraw/zinc/13/75/23/491137523.db2.gz JWYFAGFTPGTJNK-MRVPVSSYSA-N 0 0 229.776 3.537 20 0 BHADRN C[C@@H](C[NH2+]Cc1ccsc1Cl)C1CC1 ZINC000308650157 491137468 /nfs/dbraw/zinc/13/74/68/491137468.db2.gz JWYFAGFTPGTJNK-QMMMGPOBSA-N 0 0 229.776 3.537 20 0 BHADRN CC(C)(C)CCCCNc1nccs1 ZINC000308656865 631468495 /nfs/dbraw/zinc/46/84/95/631468495.db2.gz OLPPRLBZEXVRGI-UHFFFAOYSA-N 0 0 212.362 3.771 20 0 BHADRN CCCCOC(=O)/C=C\c1ccc(Cl)s1 ZINC000308667761 631476229 /nfs/dbraw/zinc/47/62/29/631476229.db2.gz NHVZBRDULHSBEN-ALCCZGGFSA-N 0 0 244.743 3.758 20 0 BHADRN CC[C@@H]([NH2+]CCOC(C)(C)C)c1ccsc1 ZINC000308694285 388363228 /nfs/dbraw/zinc/36/32/28/388363228.db2.gz NUCPZSINZIHJIK-GFCCVEGCSA-N 0 0 241.400 3.604 20 0 BHADRN CC[C@H]([NH2+]CCOC(C)(C)C)c1ccsc1 ZINC000308694286 388362895 /nfs/dbraw/zinc/36/28/95/388362895.db2.gz NUCPZSINZIHJIK-LBPRGKRZSA-N 0 0 241.400 3.604 20 0 BHADRN CSc1cccc(NC/C=C\Cl)c1C ZINC000308701702 631529504 /nfs/dbraw/zinc/52/95/04/631529504.db2.gz ZKGDAXPLOINQKO-DAXSKMNVSA-N 0 0 227.760 3.881 20 0 BHADRN C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccccc1F ZINC000308721931 259514100 /nfs/dbraw/zinc/51/41/00/259514100.db2.gz SUMMVYLLXXZHFK-ABAIWWIYSA-N 0 0 249.329 3.524 20 0 BHADRN C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccccc1F ZINC000308721932 388448291 /nfs/dbraw/zinc/44/82/91/388448291.db2.gz SUMMVYLLXXZHFK-IAQYHMDHSA-N 0 0 249.329 3.524 20 0 BHADRN C[C@H]1CCCC[C@]1(C)NC(=O)c1ccccc1F ZINC000308721933 259514112 /nfs/dbraw/zinc/51/41/12/259514112.db2.gz SUMMVYLLXXZHFK-NHYWBVRUSA-N 0 0 249.329 3.524 20 0 BHADRN C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccccc1F ZINC000308721934 259513838 /nfs/dbraw/zinc/51/38/38/259513838.db2.gz SUMMVYLLXXZHFK-XHDPSFHLSA-N 0 0 249.329 3.524 20 0 BHADRN Clc1cccc(N2CCC3(CCC3)CC2)n1 ZINC000308723279 631359241 /nfs/dbraw/zinc/35/92/41/631359241.db2.gz GWTMNXLCNKNIJW-UHFFFAOYSA-N 0 0 236.746 3.506 20 0 BHADRN COc1cc(Cl)ccc1NC/C=C\Cl ZINC000308725339 631555159 /nfs/dbraw/zinc/55/51/59/631555159.db2.gz GJBFFEUCTVCJQB-DJWKRKHSSA-N 0 0 232.110 3.513 20 0 BHADRN Clc1cc(N2CCC3(CCC3)CC2)ccn1 ZINC000308725794 631360330 /nfs/dbraw/zinc/36/03/30/631360330.db2.gz LBAPDZYJFWKLBI-UHFFFAOYSA-N 0 0 236.746 3.506 20 0 BHADRN CSc1cccc(C)c1NC/C=C\Cl ZINC000308727255 711530448 /nfs/dbraw/zinc/53/04/48/711530448.db2.gz HFFAUOFSNFEGQG-DAXSKMNVSA-N 0 0 227.760 3.881 20 0 BHADRN Cc1cnc(NCCCC(C)(C)C)s1 ZINC000308727899 370154800 /nfs/dbraw/zinc/15/48/00/370154800.db2.gz HOMJDDNALSDNCK-UHFFFAOYSA-N 0 0 212.362 3.690 20 0 BHADRN CC(C)c1nccn1CCCC(C)(C)C ZINC000308731827 167692754 /nfs/dbraw/zinc/69/27/54/167692754.db2.gz AKGZQJBLGOSPRO-UHFFFAOYSA-N 0 0 208.349 3.833 20 0 BHADRN CCCCNc1cccc(SC)c1C ZINC000308734592 388448937 /nfs/dbraw/zinc/44/89/37/388448937.db2.gz KTTIAGHSACBGKI-UHFFFAOYSA-N 0 0 209.358 3.929 20 0 BHADRN COc1c(Cl)cccc1NC/C=C\Cl ZINC000308735423 631359215 /nfs/dbraw/zinc/35/92/15/631359215.db2.gz LGQNRUSZWGRXQK-UTCJRWHESA-N 0 0 232.110 3.513 20 0 BHADRN Cc1ccc([C@H](C)[NH2+]CCOC(C)(C)C)cc1C ZINC000308737249 323177543 /nfs/dbraw/zinc/17/75/43/323177543.db2.gz MDIZYFDKBIMRJR-AWEZNQCLSA-N 0 0 249.398 3.769 20 0 BHADRN Cc1ccc([C@@H](C)[NH2+]CCOC(C)(C)C)cc1C ZINC000308737250 323177618 /nfs/dbraw/zinc/17/76/18/323177618.db2.gz MDIZYFDKBIMRJR-CQSZACIVSA-N 0 0 249.398 3.769 20 0 BHADRN CCCc1nccn1CCCC(C)(C)C ZINC000308737406 187994398 /nfs/dbraw/zinc/99/43/98/187994398.db2.gz KKYXETVAKMVBHK-UHFFFAOYSA-N 0 0 208.349 3.662 20 0 BHADRN CCCCNc1cccc(Cl)c1OC ZINC000308740830 528557833 /nfs/dbraw/zinc/55/78/33/528557833.db2.gz OQKFBQILXYRLPS-UHFFFAOYSA-N 0 0 213.708 3.561 20 0 BHADRN CCCc1nccn1C[C@H](C)CC(C)C ZINC000308743277 388448889 /nfs/dbraw/zinc/44/88/89/388448889.db2.gz NMAUYODTLHFRHJ-GFCCVEGCSA-N 0 0 208.349 3.518 20 0 BHADRN CCCc1nccn1C[C@@H](C)CC(C)C ZINC000308743278 388448872 /nfs/dbraw/zinc/44/88/72/388448872.db2.gz NMAUYODTLHFRHJ-LBPRGKRZSA-N 0 0 208.349 3.518 20 0 BHADRN Cc1cc(C)c(C[NH2+]CCOC(C)(C)C)cc1C ZINC000308745822 388363660 /nfs/dbraw/zinc/36/36/60/388363660.db2.gz RATPQCSATKKDDI-UHFFFAOYSA-N 0 0 249.398 3.517 20 0 BHADRN CCC(CC)(CC)CNc1nccs1 ZINC000308745849 631558254 /nfs/dbraw/zinc/55/82/54/631558254.db2.gz RBWCLZUJEKHDGG-UHFFFAOYSA-N 0 0 212.362 3.771 20 0 BHADRN CC[C@@H](F)CNc1ccccc1SC ZINC000308749583 170860436 /nfs/dbraw/zinc/86/04/36/170860436.db2.gz SXKZCRLWJRJGHF-SECBINFHSA-N 0 0 213.321 3.569 20 0 BHADRN CC[C@H](F)CNc1ccccc1SC ZINC000308749584 385064975 /nfs/dbraw/zinc/06/49/75/385064975.db2.gz SXKZCRLWJRJGHF-VIFPVBQESA-N 0 0 213.321 3.569 20 0 BHADRN CC(C)(CNC(=O)c1ccccc1)C1=CCCC1 ZINC000308760301 527165198 /nfs/dbraw/zinc/16/51/98/527165198.db2.gz FTVXSOMBIOFRCX-UHFFFAOYSA-N 0 0 243.350 3.553 20 0 BHADRN CC(C)(CNC(=O)c1cccs1)C1=CCCC1 ZINC000308765739 527165722 /nfs/dbraw/zinc/16/57/22/527165722.db2.gz VFINPGIJUPDCKW-UHFFFAOYSA-N 0 0 249.379 3.614 20 0 BHADRN COc1cc(Cl)c(C)cc1NC/C=C\Cl ZINC000308772937 631640842 /nfs/dbraw/zinc/64/08/42/631640842.db2.gz NHBBFFMJRQSUHR-ARJAWSKDSA-N 0 0 246.137 3.821 20 0 BHADRN FC(F)(F)c1ccc(NC/C=C\Cl)cc1 ZINC000308773086 631640725 /nfs/dbraw/zinc/64/07/25/631640725.db2.gz WDPNLAIJMIJLAC-BHQIHCQQSA-N 0 0 235.636 3.870 20 0 BHADRN FC(F)(F)c1cccc(NC/C=C\Cl)c1 ZINC000308773150 631640654 /nfs/dbraw/zinc/64/06/54/631640654.db2.gz ZSDQWQMFYDPQKP-DJWKRKHSSA-N 0 0 235.636 3.870 20 0 BHADRN Cc1ccc(F)cc1OCCSC(C)C ZINC000308775433 388449207 /nfs/dbraw/zinc/44/92/07/388449207.db2.gz BIEGCVNFQBPLCW-UHFFFAOYSA-N 0 0 228.332 3.655 20 0 BHADRN Cc1cc(OCCSC(C)C)ccc1F ZINC000308775938 388448763 /nfs/dbraw/zinc/44/87/63/388448763.db2.gz ABNFNKLTFLOGIH-UHFFFAOYSA-N 0 0 228.332 3.655 20 0 BHADRN Cc1cccc(C)c1OCCSC(C)C ZINC000308776929 229248045 /nfs/dbraw/zinc/24/80/45/229248045.db2.gz HODQTZSHZKALFW-UHFFFAOYSA-N 0 0 224.369 3.824 20 0 BHADRN Cc1ccc(OCCSC(C)(C)C)cc1 ZINC000308778184 631646304 /nfs/dbraw/zinc/64/63/04/631646304.db2.gz BIIWGPGDHCBUOW-UHFFFAOYSA-N 0 0 224.369 3.906 20 0 BHADRN COc1ccc(Cl)c(N[C@@H]2CC[C@@H]2C)c1 ZINC000308779196 631384924 /nfs/dbraw/zinc/38/49/24/631384924.db2.gz BWAKMNGNHWXMMP-GZMMTYOYSA-N 0 0 225.719 3.559 20 0 BHADRN COc1ccc(Cl)c(N[C@H]2CC[C@H]2C)c1 ZINC000308779200 631646636 /nfs/dbraw/zinc/64/66/36/631646636.db2.gz BWAKMNGNHWXMMP-KCJUWKMLSA-N 0 0 225.719 3.559 20 0 BHADRN COc1ccc(Cl)c(N[C@H]2CC[C@@H]2C)c1 ZINC000308779204 631645983 /nfs/dbraw/zinc/64/59/83/631645983.db2.gz BWAKMNGNHWXMMP-KWQFWETISA-N 0 0 225.719 3.559 20 0 BHADRN COc1ccc(Cl)c(N[C@@H]2CC[C@H]2C)c1 ZINC000308779208 631385072 /nfs/dbraw/zinc/38/50/72/631385072.db2.gz BWAKMNGNHWXMMP-LDYMZIIASA-N 0 0 225.719 3.559 20 0 BHADRN Fc1cc(Cl)ccc1OCc1cscn1 ZINC000308780578 631645615 /nfs/dbraw/zinc/64/56/15/631645615.db2.gz PHBATERXANAYNT-UHFFFAOYSA-N 0 0 243.690 3.515 20 0 BHADRN Cc1cccc(OCCSC(C)C)c1C ZINC000308780913 229249218 /nfs/dbraw/zinc/24/92/18/229249218.db2.gz PTYSDTJGWDKKLZ-UHFFFAOYSA-N 0 0 224.369 3.824 20 0 BHADRN CSC1(CNc2ccc(Cl)cc2C)CC1 ZINC000308781547 533512277 /nfs/dbraw/zinc/51/22/77/533512277.db2.gz CWBQNYUGVHVNAA-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN CCc1cccc(OCCSC(C)C)c1 ZINC000308781577 529543842 /nfs/dbraw/zinc/54/38/42/529543842.db2.gz CXJOICLVZMLWOQ-UHFFFAOYSA-N 0 0 224.369 3.769 20 0 BHADRN CSC1(CNc2cccc(C)c2)CCC1 ZINC000308785272 175455231 /nfs/dbraw/zinc/45/52/31/175455231.db2.gz FOLFXJULYYVJJG-UHFFFAOYSA-N 0 0 221.369 3.693 20 0 BHADRN CCCc1nc(-c2ccccc2F)cs1 ZINC000308790349 385107982 /nfs/dbraw/zinc/10/79/82/385107982.db2.gz AOCUZECXZVHLCS-UHFFFAOYSA-N 0 0 221.300 3.902 20 0 BHADRN Cc1ccc(F)cc1NCCCCCF ZINC000308790373 229248839 /nfs/dbraw/zinc/24/88/39/229248839.db2.gz ARFHVKXEBYINAS-UHFFFAOYSA-N 0 0 213.271 3.686 20 0 BHADRN Cc1ccc(NCCCCCF)c(C)c1 ZINC000308791230 229248902 /nfs/dbraw/zinc/24/89/02/229248902.db2.gz CWWBACJXZKKAQJ-UHFFFAOYSA-N 0 0 209.308 3.855 20 0 BHADRN Fc1cc(Cl)ccc1OCCC(F)(F)F ZINC000308791539 229249337 /nfs/dbraw/zinc/24/93/37/229249337.db2.gz IMRGBRYVSDZHBT-UHFFFAOYSA-N 0 0 242.599 3.810 20 0 BHADRN CSC1(CNc2ccc(C)cc2Cl)CC1 ZINC000308792952 533512526 /nfs/dbraw/zinc/51/25/26/533512526.db2.gz JBMUAUPRTQQUMX-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN CSC1(CNc2cc(F)cc(Cl)c2)CC1 ZINC000308792988 533512133 /nfs/dbraw/zinc/51/21/33/533512133.db2.gz JCUPENOUQXPJTO-UHFFFAOYSA-N 0 0 245.750 3.787 20 0 BHADRN Cc1ccccc1OCCSC(C)(C)C ZINC000308793868 631648336 /nfs/dbraw/zinc/64/83/36/631648336.db2.gz JIJQEICZKPVXBF-UHFFFAOYSA-N 0 0 224.369 3.906 20 0 BHADRN CSC1(CNc2cc(Cl)ccc2C)CC1 ZINC000308794370 533512615 /nfs/dbraw/zinc/51/26/15/533512615.db2.gz JOAZKRQEIBNYTI-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN Cc1ccc(F)c(OCCSC(C)C)c1 ZINC000308795472 229249128 /nfs/dbraw/zinc/24/91/28/229249128.db2.gz KBLRRRIWZAMJDC-UHFFFAOYSA-N 0 0 228.332 3.655 20 0 BHADRN CC(C)(C)SCCOc1ccc(Cl)nc1 ZINC000308796375 631464937 /nfs/dbraw/zinc/46/49/37/631464937.db2.gz KKQVCHXSHDSGHK-UHFFFAOYSA-N 0 0 245.775 3.646 20 0 BHADRN Clc1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000308796804 487495102 /nfs/dbraw/zinc/49/51/02/487495102.db2.gz CNCYCDKLIVDOFV-ZWKOPEQDSA-N 0 0 221.731 3.941 20 0 BHADRN Fc1cc(Cl)ccc1O[C@H]1C=CCCC1 ZINC000308797071 229249273 /nfs/dbraw/zinc/24/92/73/229249273.db2.gz KUBHRUDSJNFXOL-JTQLQIEISA-N 0 0 226.678 3.967 20 0 BHADRN Fc1cc(Cl)ccc1O[C@@H]1C=CCCC1 ZINC000308797072 229249234 /nfs/dbraw/zinc/24/92/34/229249234.db2.gz KUBHRUDSJNFXOL-SNVBAGLBSA-N 0 0 226.678 3.967 20 0 BHADRN CSC1(CNc2ccc(C)cc2C)CC1 ZINC000308797516 533512548 /nfs/dbraw/zinc/51/25/48/533512548.db2.gz KZVGUGTYEJQBII-UHFFFAOYSA-N 0 0 221.369 3.611 20 0 BHADRN CSC1(CNc2ccc(C)c(Cl)c2)CC1 ZINC000308797733 533512765 /nfs/dbraw/zinc/51/27/65/533512765.db2.gz LCUNLIJBDPMSJI-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN CC(C)c1nccn1CCSC(C)(C)C ZINC000308798824 633816953 /nfs/dbraw/zinc/81/69/53/633816953.db2.gz LRFPTMRODQWMGQ-UHFFFAOYSA-N 0 0 226.389 3.538 20 0 BHADRN COCc1ccc(NC/C(Cl)=C\Cl)cc1 ZINC000308799041 631475251 /nfs/dbraw/zinc/47/52/51/631475251.db2.gz JJDYIATVEJSIIF-UXBLZVDNSA-N 0 0 246.137 3.564 20 0 BHADRN CCc1nc(-c2cccc(F)c2)c(C)s1 ZINC000308800003 342843174 /nfs/dbraw/zinc/84/31/74/342843174.db2.gz KEQVCMXLIDJUSG-UHFFFAOYSA-N 0 0 221.300 3.820 20 0 BHADRN CC1(C)CC[C@H]1Nc1ccc(F)c(F)c1 ZINC000308800111 529053108 /nfs/dbraw/zinc/05/31/08/529053108.db2.gz KNUDCQQWHMLAGD-LLVKDONJSA-N 0 0 211.255 3.565 20 0 BHADRN CC1(C)CC[C@@H]1Nc1ccc(F)c(F)c1 ZINC000308800112 529032716 /nfs/dbraw/zinc/03/27/16/529032716.db2.gz KNUDCQQWHMLAGD-NSHDSACASA-N 0 0 211.255 3.565 20 0 BHADRN COc1ccc(N[C@@H]2CC[C@@H]2C)cc1Cl ZINC000308800133 631645193 /nfs/dbraw/zinc/64/51/93/631645193.db2.gz KOPUZKFQSXFQOV-GZMMTYOYSA-N 0 0 225.719 3.559 20 0 BHADRN COc1ccc(N[C@H]2CC[C@H]2C)cc1Cl ZINC000308800134 631645127 /nfs/dbraw/zinc/64/51/27/631645127.db2.gz KOPUZKFQSXFQOV-KCJUWKMLSA-N 0 0 225.719 3.559 20 0 BHADRN COc1ccc(N[C@H]2CC[C@@H]2C)cc1Cl ZINC000308800135 631478842 /nfs/dbraw/zinc/47/88/42/631478842.db2.gz KOPUZKFQSXFQOV-KWQFWETISA-N 0 0 225.719 3.559 20 0 BHADRN COc1ccc(N[C@@H]2CC[C@H]2C)cc1Cl ZINC000308800399 631668079 /nfs/dbraw/zinc/66/80/79/631668079.db2.gz KOPUZKFQSXFQOV-LDYMZIIASA-N 0 0 225.719 3.559 20 0 BHADRN CCC(C)(C)C(=O)CSc1ccccc1 ZINC000308801150 528483080 /nfs/dbraw/zinc/48/30/80/528483080.db2.gz DSZFZAQKFUWFKH-UHFFFAOYSA-N 0 0 222.353 3.784 20 0 BHADRN CSC1(CNc2cc(C)ccc2C)CC1 ZINC000308801844 533513203 /nfs/dbraw/zinc/51/32/03/533513203.db2.gz MXFMQYBPEFCJJB-UHFFFAOYSA-N 0 0 221.369 3.611 20 0 BHADRN C[C@@H](N(C)Cc1csc(Cl)n1)C(C)(C)C ZINC000308803978 631667148 /nfs/dbraw/zinc/66/71/48/631667148.db2.gz LUPPFARVGANSOR-MRVPVSSYSA-N 0 0 246.807 3.663 20 0 BHADRN C[C@H](N(C)Cc1csc(Cl)n1)C(C)(C)C ZINC000308803983 631667926 /nfs/dbraw/zinc/66/79/26/631667926.db2.gz LUPPFARVGANSOR-QMMMGPOBSA-N 0 0 246.807 3.663 20 0 BHADRN CCc1ccccc1NCC1(SC)CC1 ZINC000308804049 529600110 /nfs/dbraw/zinc/60/01/10/529600110.db2.gz NWXJVHJDAFERNM-UHFFFAOYSA-N 0 0 221.369 3.557 20 0 BHADRN CC(C)(C)SCCOc1cccc(F)c1 ZINC000308804411 633820775 /nfs/dbraw/zinc/82/07/75/633820775.db2.gz NYDAFSBCTIKJRW-UHFFFAOYSA-N 0 0 228.332 3.736 20 0 BHADRN Cc1cc(C)cc(OCCSC(C)C)c1 ZINC000308807416 229250315 /nfs/dbraw/zinc/25/03/15/229250315.db2.gz PAHVDZGDALVRQI-UHFFFAOYSA-N 0 0 224.369 3.824 20 0 BHADRN CCc1cccc(NCC2(SC)CC2)c1 ZINC000308808444 529542196 /nfs/dbraw/zinc/54/21/96/529542196.db2.gz PIUSGFQOXYZPDX-UHFFFAOYSA-N 0 0 221.369 3.557 20 0 BHADRN Cc1cc(NCCCCF)c(Cl)cc1F ZINC000308814042 229250072 /nfs/dbraw/zinc/25/00/72/229250072.db2.gz OTNSQLZMOPABEI-UHFFFAOYSA-N 0 0 233.689 3.949 20 0 BHADRN CC(C)c1cnc(N[C@H]2CC[C@@H](F)C2)s1 ZINC000308817239 385185347 /nfs/dbraw/zinc/18/53/47/385185347.db2.gz AWTALCYPUUEYLW-BDAKNGLRSA-N 0 0 228.336 3.569 20 0 BHADRN CC(C)c1cnc(N[C@@H]2CC[C@H](F)C2)s1 ZINC000308817240 167649950 /nfs/dbraw/zinc/64/99/50/167649950.db2.gz AWTALCYPUUEYLW-DTWKUNHWSA-N 0 0 228.336 3.569 20 0 BHADRN CC(C)c1cnc(N[C@H]2CC[C@H](F)C2)s1 ZINC000308817241 385185604 /nfs/dbraw/zinc/18/56/04/385185604.db2.gz AWTALCYPUUEYLW-IUCAKERBSA-N 0 0 228.336 3.569 20 0 BHADRN CC(C)c1cnc(N[C@@H]2CC[C@@H](F)C2)s1 ZINC000308817242 167651104 /nfs/dbraw/zinc/65/11/04/167651104.db2.gz AWTALCYPUUEYLW-RKDXNWHRSA-N 0 0 228.336 3.569 20 0 BHADRN CCC(C)(C)C(=O)CSCc1ccco1 ZINC000308818560 168260485 /nfs/dbraw/zinc/26/04/85/168260485.db2.gz JBUUQZHCHDWSGW-UHFFFAOYSA-N 0 0 226.341 3.518 20 0 BHADRN CC(C)([NH2+]C/C=C/Cl)c1ccc(Cl)cc1 ZINC000308819961 631673148 /nfs/dbraw/zinc/67/31/48/631673148.db2.gz BPSAALYJKLMFIW-FPYGCLRLSA-N 0 0 244.165 3.917 20 0 BHADRN Clc1cnc(N2CCCCCC2)c(Cl)c1 ZINC000308820056 229250726 /nfs/dbraw/zinc/25/07/26/229250726.db2.gz GDVOBMGUESFEFX-UHFFFAOYSA-N 0 0 245.153 3.769 20 0 BHADRN CC(C)c1cnc(N[C@H]2CCC2(C)C)s1 ZINC000308822179 528226758 /nfs/dbraw/zinc/22/67/58/528226758.db2.gz CJPVFWYKGJVGNW-JTQLQIEISA-N 0 0 224.373 3.867 20 0 BHADRN CC(C)c1cnc(N[C@@H]2CCC2(C)C)s1 ZINC000308822180 528225440 /nfs/dbraw/zinc/22/54/40/528225440.db2.gz CJPVFWYKGJVGNW-SNVBAGLBSA-N 0 0 224.373 3.867 20 0 BHADRN COc1ccc(Cl)cc1N[C@H]1CC[C@H]1C ZINC000308823323 631676275 /nfs/dbraw/zinc/67/62/75/631676275.db2.gz RIAXLUHVBKUNOM-SCZZXKLOSA-N 0 0 225.719 3.559 20 0 BHADRN COc1ccc(Cl)cc1N[C@@H]1CC[C@@H]1C ZINC000308823325 631675401 /nfs/dbraw/zinc/67/54/01/631675401.db2.gz RIAXLUHVBKUNOM-WCBMZHEXSA-N 0 0 225.719 3.559 20 0 BHADRN COc1ccc(Cl)cc1N[C@H]1CC[C@@H]1C ZINC000308823327 633821908 /nfs/dbraw/zinc/82/19/08/633821908.db2.gz RIAXLUHVBKUNOM-WPRPVWTQSA-N 0 0 225.719 3.559 20 0 BHADRN Cc1ccccc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000308823337 409908378 /nfs/dbraw/zinc/90/83/78/409908378.db2.gz KGQZZMXZJNIZLE-MBNYWOFBSA-N 0 0 201.313 3.596 20 0 BHADRN CSC1(CNc2cccc(Cl)c2C)CC1 ZINC000308824686 533513624 /nfs/dbraw/zinc/51/36/24/533513624.db2.gz QWKAODWKPLETCX-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN C[C@@H](N[C@@H]1CCCC1(F)F)c1cccs1 ZINC000308825435 582896034 /nfs/dbraw/zinc/89/60/34/582896034.db2.gz DMJOLLGVYYTLPS-PSASIEDQSA-N 0 0 231.311 3.587 20 0 BHADRN C[C@@H](N[C@H]1CCCC1(F)F)c1cccs1 ZINC000308825439 582895871 /nfs/dbraw/zinc/89/58/71/582895871.db2.gz DMJOLLGVYYTLPS-SCZZXKLOSA-N 0 0 231.311 3.587 20 0 BHADRN C[C@H](N[C@@H]1CCCC1(F)F)c1cccs1 ZINC000308825443 582895863 /nfs/dbraw/zinc/89/58/63/582895863.db2.gz DMJOLLGVYYTLPS-WCBMZHEXSA-N 0 0 231.311 3.587 20 0 BHADRN C[C@H](N[C@H]1CCCC1(F)F)c1cccs1 ZINC000308825447 582895925 /nfs/dbraw/zinc/89/59/25/582895925.db2.gz DMJOLLGVYYTLPS-WPRPVWTQSA-N 0 0 231.311 3.587 20 0 BHADRN Cc1ccnc(NCCSC(C)C)c1Cl ZINC000308828226 384325412 /nfs/dbraw/zinc/32/54/12/384325412.db2.gz FENQMEXNJKANRU-UHFFFAOYSA-N 0 0 244.791 3.597 20 0 BHADRN CC(C)SCCNc1ncc(C(C)C)s1 ZINC000308828228 167333469 /nfs/dbraw/zinc/33/34/69/167333469.db2.gz FEQZPPJNMAGFDR-UHFFFAOYSA-N 0 0 244.429 3.820 20 0 BHADRN Cc1ccc(C)c(OCCSC(C)C)c1 ZINC000308828548 533695700 /nfs/dbraw/zinc/69/57/00/533695700.db2.gz SEDRONNNTSLJME-UHFFFAOYSA-N 0 0 224.369 3.824 20 0 BHADRN CS[C@H](CNc1ncc(C)s1)C(C)(C)C ZINC000308830489 385198530 /nfs/dbraw/zinc/19/85/30/385198530.db2.gz AIEWHODDTRVSPG-SECBINFHSA-N 0 0 244.429 3.641 20 0 BHADRN CS[C@@H](CNc1ncc(C)s1)C(C)(C)C ZINC000308830491 385197606 /nfs/dbraw/zinc/19/76/06/385197606.db2.gz AIEWHODDTRVSPG-VIFPVBQESA-N 0 0 244.429 3.641 20 0 BHADRN c1nc2cc(NCCC3CC3)ccc2s1 ZINC000308830811 491138391 /nfs/dbraw/zinc/13/83/91/491138391.db2.gz JIKZLJQVNHIBOM-UHFFFAOYSA-N 0 0 218.325 3.508 20 0 BHADRN CC(C)SCCOc1cc(F)ccc1Cl ZINC000308831146 528321300 /nfs/dbraw/zinc/32/13/00/528321300.db2.gz UARAHODSDZIPBX-UHFFFAOYSA-N 0 0 248.750 4.000 20 0 BHADRN CCc1ccc(NCCCCF)cc1C ZINC000308831723 529688160 /nfs/dbraw/zinc/68/81/60/529688160.db2.gz UMLYZOLBDNSUAR-UHFFFAOYSA-N 0 0 209.308 3.719 20 0 BHADRN Fc1ccc(F)c(OCC2CCCC2)c1 ZINC000308832889 534480258 /nfs/dbraw/zinc/48/02/58/534480258.db2.gz VAAHZFSXPVZVPD-UHFFFAOYSA-N 0 0 212.239 3.534 20 0 BHADRN CC(C)c1ccccc1NCCCCF ZINC000308833297 528200100 /nfs/dbraw/zinc/20/01/00/528200100.db2.gz VFVTUUISDJDGEO-UHFFFAOYSA-N 0 0 209.308 3.972 20 0 BHADRN c1cc2ccc(NCC3CCC3)cc2o1 ZINC000308833443 183375597 /nfs/dbraw/zinc/37/55/97/183375597.db2.gz HCILCBWLEWMLOI-UHFFFAOYSA-N 0 0 201.269 3.645 20 0 BHADRN CSC1(CNc2cccc(F)c2)CCC1 ZINC000308833601 384336942 /nfs/dbraw/zinc/33/69/42/384336942.db2.gz VGKYLYNMNHMXFT-UHFFFAOYSA-N 0 0 225.332 3.523 20 0 BHADRN CC(C)c1cnc(N[C@H]2CC=CCC2)s1 ZINC000308833728 528226797 /nfs/dbraw/zinc/22/67/97/528226797.db2.gz HHDSDUVNBQKVOX-JTQLQIEISA-N 0 0 222.357 3.787 20 0 BHADRN CC(C)c1cnc(N[C@@H]2CC=CCC2)s1 ZINC000308833730 528224992 /nfs/dbraw/zinc/22/49/92/528224992.db2.gz HHDSDUVNBQKVOX-SNVBAGLBSA-N 0 0 222.357 3.787 20 0 BHADRN CC(C)c1ccc(NCC2(F)CC2)cc1 ZINC000308834090 323179927 /nfs/dbraw/zinc/17/99/27/323179927.db2.gz HLRZXFMVXOASPW-UHFFFAOYSA-N 0 0 207.292 3.724 20 0 BHADRN CC(C)Nc1ccc(OC(C)C)cc1Cl ZINC000308837514 631677527 /nfs/dbraw/zinc/67/75/27/631677527.db2.gz IUPRFMMFQOYRCY-UHFFFAOYSA-N 0 0 227.735 3.948 20 0 BHADRN CCCc1ccccc1NCCCCF ZINC000308837728 528647787 /nfs/dbraw/zinc/64/77/87/528647787.db2.gz WZJZFJMUPQJYDE-UHFFFAOYSA-N 0 0 209.308 3.801 20 0 BHADRN c1cc2ccc(NCCC3CC3)cc2o1 ZINC000308838673 491138745 /nfs/dbraw/zinc/13/87/45/491138745.db2.gz MIPXEAVOGUQNDF-UHFFFAOYSA-N 0 0 201.269 3.645 20 0 BHADRN CC(C)=CCC[C@@H](C)N[C@H](C)C(F)(F)F ZINC000308838883 527417616 /nfs/dbraw/zinc/41/76/16/527417616.db2.gz JIKSQAWKPIJEKD-NXEZZACHSA-N 0 0 223.282 3.662 20 0 BHADRN CC(C)=CCC[C@H](C)N[C@@H](C)C(F)(F)F ZINC000308838884 527426827 /nfs/dbraw/zinc/42/68/27/527426827.db2.gz JIKSQAWKPIJEKD-UWVGGRQHSA-N 0 0 223.282 3.662 20 0 BHADRN CC(C)=CCC[C@H](C)N[C@H](C)C(F)(F)F ZINC000308838885 527426689 /nfs/dbraw/zinc/42/66/89/527426689.db2.gz JIKSQAWKPIJEKD-VHSXEESVSA-N 0 0 223.282 3.662 20 0 BHADRN CC(C)=CCC[C@@H](C)N[C@@H](C)C(F)(F)F ZINC000308838886 527418578 /nfs/dbraw/zinc/41/85/78/527418578.db2.gz JIKSQAWKPIJEKD-ZJUUUORDSA-N 0 0 223.282 3.662 20 0 BHADRN Cc1cccc(N[C@H](C)CCC2CC2)c1 ZINC000308839339 229251824 /nfs/dbraw/zinc/25/18/24/229251824.db2.gz JLGRBODMZUGHHM-GFCCVEGCSA-N 0 0 203.329 3.986 20 0 BHADRN Cc1cccc(N[C@@H](C)CCC2CC2)c1 ZINC000308839343 534748064 /nfs/dbraw/zinc/74/80/64/534748064.db2.gz JLGRBODMZUGHHM-LBPRGKRZSA-N 0 0 203.329 3.986 20 0 BHADRN CC(C)[C@H]1CC[C@H]1Nc1cccc(F)c1 ZINC000308840059 582896031 /nfs/dbraw/zinc/89/60/31/582896031.db2.gz JRKAOVVYYFOEOQ-CHWSQXEVSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@H]1CC[C@@H]1Nc1cccc(F)c1 ZINC000308840060 582896046 /nfs/dbraw/zinc/89/60/46/582896046.db2.gz JRKAOVVYYFOEOQ-OLZOCXBDSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@@H]1CC[C@H]1Nc1cccc(F)c1 ZINC000308840061 582896003 /nfs/dbraw/zinc/89/60/03/582896003.db2.gz JRKAOVVYYFOEOQ-QWHCGFSZSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@@H]1CC[C@@H]1Nc1cccc(F)c1 ZINC000308840062 582895945 /nfs/dbraw/zinc/89/59/45/582895945.db2.gz JRKAOVVYYFOEOQ-STQMWFEESA-N 0 0 207.292 3.672 20 0 BHADRN C[C@H](CCC1CC1)Nc1ccc(Cl)nc1 ZINC000308841031 631691008 /nfs/dbraw/zinc/69/10/08/631691008.db2.gz KBLSMSSJIIMCDD-SECBINFHSA-N 0 0 224.735 3.726 20 0 BHADRN C[C@@H](CCC1CC1)Nc1ccc(Cl)nc1 ZINC000308841032 631690340 /nfs/dbraw/zinc/69/03/40/631690340.db2.gz KBLSMSSJIIMCDD-VIFPVBQESA-N 0 0 224.735 3.726 20 0 BHADRN CC(C)(C)SCCOc1ccc(F)cc1 ZINC000308841282 631691410 /nfs/dbraw/zinc/69/14/10/631691410.db2.gz YVXJYISPPFTECM-UHFFFAOYSA-N 0 0 228.332 3.736 20 0 BHADRN Cc1nc(N[C@H](C)CCC2CC2)sc1C ZINC000308841927 180023883 /nfs/dbraw/zinc/02/38/83/180023883.db2.gz KNFXPHYZMVOFRX-MRVPVSSYSA-N 0 0 224.373 3.751 20 0 BHADRN Cc1nc(N[C@@H](C)CCC2CC2)sc1C ZINC000308841928 180023069 /nfs/dbraw/zinc/02/30/69/180023069.db2.gz KNFXPHYZMVOFRX-QMMMGPOBSA-N 0 0 224.373 3.751 20 0 BHADRN CC(C)c1ccccc1OCCCCF ZINC000308841984 528201974 /nfs/dbraw/zinc/20/19/74/528201974.db2.gz YOJAWGMXDHHVKO-UHFFFAOYSA-N 0 0 210.292 3.939 20 0 BHADRN CC(C)OC[C@H](C)Nc1ccccc1Cl ZINC000308842667 528016411 /nfs/dbraw/zinc/01/64/11/528016411.db2.gz KQOSFNSVKCKLDD-JTQLQIEISA-N 0 0 227.735 3.565 20 0 BHADRN CC(C)OC[C@@H](C)Nc1ccccc1Cl ZINC000308842668 527999353 /nfs/dbraw/zinc/99/93/53/527999353.db2.gz KQOSFNSVKCKLDD-SNVBAGLBSA-N 0 0 227.735 3.565 20 0 BHADRN CC(C)(C)SCCNc1ccncc1Cl ZINC000308843762 631689376 /nfs/dbraw/zinc/68/93/76/631689376.db2.gz LDLYSBZIHNGGQZ-UHFFFAOYSA-N 0 0 244.791 3.679 20 0 BHADRN Cc1ccccc1N[C@H](C)CCC1CC1 ZINC000308844841 534825740 /nfs/dbraw/zinc/82/57/40/534825740.db2.gz LTOYAINOEFEYSL-GFCCVEGCSA-N 0 0 203.329 3.986 20 0 BHADRN Cc1ccccc1N[C@@H](C)CCC1CC1 ZINC000308844844 534825636 /nfs/dbraw/zinc/82/56/36/534825636.db2.gz LTOYAINOEFEYSL-LBPRGKRZSA-N 0 0 203.329 3.986 20 0 BHADRN C[C@@H](CCC1CC1)Nc1ccccc1F ZINC000308845399 229252443 /nfs/dbraw/zinc/25/24/43/229252443.db2.gz MAIBAHBJTOWBAK-JTQLQIEISA-N 0 0 207.292 3.816 20 0 BHADRN C[C@H](CCC1CC1)Nc1ccccc1F ZINC000308845400 229252055 /nfs/dbraw/zinc/25/20/55/229252055.db2.gz MAIBAHBJTOWBAK-SNVBAGLBSA-N 0 0 207.292 3.816 20 0 BHADRN c1csc(NCCCC2CCCCC2)n1 ZINC000308848421 631917129 /nfs/dbraw/zinc/91/71/29/631917129.db2.gz QGLRBUDNYMEPHL-UHFFFAOYSA-N 0 0 224.373 3.916 20 0 BHADRN CC(C)[C@H](C)Nc1ccc2ccoc2c1 ZINC000308848850 528972026 /nfs/dbraw/zinc/97/20/26/528972026.db2.gz NJQKCUIBIJVMKW-JTQLQIEISA-N 0 0 203.285 3.889 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc2ccoc2c1 ZINC000308848852 528420783 /nfs/dbraw/zinc/42/07/83/528420783.db2.gz NJQKCUIBIJVMKW-SNVBAGLBSA-N 0 0 203.285 3.889 20 0 BHADRN C[C@@H](N[C@@H]1CCCC1(F)F)c1ccsc1 ZINC000308849147 491138909 /nfs/dbraw/zinc/13/89/09/491138909.db2.gz NNEZQASKNIGOOT-PSASIEDQSA-N 0 0 231.311 3.587 20 0 BHADRN C[C@@H](N[C@H]1CCCC1(F)F)c1ccsc1 ZINC000308849149 491138925 /nfs/dbraw/zinc/13/89/25/491138925.db2.gz NNEZQASKNIGOOT-SCZZXKLOSA-N 0 0 231.311 3.587 20 0 BHADRN C[C@H](N[C@@H]1CCCC1(F)F)c1ccsc1 ZINC000308849151 491138887 /nfs/dbraw/zinc/13/88/87/491138887.db2.gz NNEZQASKNIGOOT-WCBMZHEXSA-N 0 0 231.311 3.587 20 0 BHADRN C[C@H](N[C@H]1CCCC1(F)F)c1ccsc1 ZINC000308849153 491049017 /nfs/dbraw/zinc/04/90/17/491049017.db2.gz NNEZQASKNIGOOT-WPRPVWTQSA-N 0 0 231.311 3.587 20 0 BHADRN Cc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000308849453 487556247 /nfs/dbraw/zinc/55/62/47/487556247.db2.gz MKCFOJLNJUHEBH-IACUBPJLSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000308849454 631696078 /nfs/dbraw/zinc/69/60/78/631696078.db2.gz MKCFOJLNJUHEBH-KWCYVHTRSA-N 0 0 201.313 3.596 20 0 BHADRN CC(C)[C@H]1CC[C@H]1Nc1ccc(Cl)nc1 ZINC000308849505 631920038 /nfs/dbraw/zinc/92/00/38/631920038.db2.gz NQMBHRGRZWIMSA-GHMZBOCLSA-N 0 0 224.735 3.582 20 0 BHADRN CC(C)[C@H]1CC[C@@H]1Nc1ccc(Cl)nc1 ZINC000308849506 631919636 /nfs/dbraw/zinc/91/96/36/631919636.db2.gz NQMBHRGRZWIMSA-MNOVXSKESA-N 0 0 224.735 3.582 20 0 BHADRN CC(C)[C@@H]1CC[C@@H]1Nc1ccc(Cl)nc1 ZINC000308849507 631918631 /nfs/dbraw/zinc/91/86/31/631918631.db2.gz NQMBHRGRZWIMSA-QWRGUYRKSA-N 0 0 224.735 3.582 20 0 BHADRN CC(C)[C@@H]1CC[C@H]1Nc1ccc(Cl)nc1 ZINC000308849508 631919735 /nfs/dbraw/zinc/91/97/35/631919735.db2.gz NQMBHRGRZWIMSA-WDEREUQCSA-N 0 0 224.735 3.582 20 0 BHADRN FC(F)c1cccc(NCC2(F)CC2)c1 ZINC000308851358 323180037 /nfs/dbraw/zinc/18/00/37/323180037.db2.gz AJMWZMXMDUQZSM-UHFFFAOYSA-N 0 0 215.218 3.538 20 0 BHADRN FC(F)c1cccc(NC2CSC2)c1Cl ZINC000308854353 491139020 /nfs/dbraw/zinc/13/90/20/491139020.db2.gz KATVIXOEAKSCEJ-UHFFFAOYSA-N 0 0 249.713 3.805 20 0 BHADRN CC(C)c1cnc(NC[C@@H](C)C2CC2)s1 ZINC000308857468 491139084 /nfs/dbraw/zinc/13/90/84/491139084.db2.gz QJSNTDBRMFGTNN-SECBINFHSA-N 0 0 224.373 3.725 20 0 BHADRN CC(C)c1cnc(NC[C@H](C)C2CC2)s1 ZINC000308857471 491139078 /nfs/dbraw/zinc/13/90/78/491139078.db2.gz QJSNTDBRMFGTNN-VIFPVBQESA-N 0 0 224.373 3.725 20 0 BHADRN CC(C)[C@H](NCCC(C)(C)C)C(F)(F)F ZINC000308858847 529120091 /nfs/dbraw/zinc/12/00/91/529120091.db2.gz QVOAVHFJKJKOIJ-VIFPVBQESA-N 0 0 225.298 3.599 20 0 BHADRN Clc1cnc(N[C@@H]2CC23CCCCC3)s1 ZINC000308859488 491049166 /nfs/dbraw/zinc/04/91/66/491049166.db2.gz YAFOPKADRZMJAB-MRVPVSSYSA-N 0 0 242.775 3.931 20 0 BHADRN Clc1cnc(N[C@H]2CC23CCCCC3)s1 ZINC000308859491 582896436 /nfs/dbraw/zinc/89/64/36/582896436.db2.gz YAFOPKADRZMJAB-QMMMGPOBSA-N 0 0 242.775 3.931 20 0 BHADRN FC(F)c1cccc(NCCC2CC2)c1 ZINC000308859685 491083524 /nfs/dbraw/zinc/08/35/24/491083524.db2.gz YYMSZYHNNPQZCF-UHFFFAOYSA-N 0 0 211.255 3.836 20 0 BHADRN Fc1ccccc1CNc1ncc(Cl)s1 ZINC000308860891 491139260 /nfs/dbraw/zinc/13/92/60/491139260.db2.gz BIXVXPMCYLBTEJ-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN C[C@@H](CCC1CC1)Nc1cccc(F)c1 ZINC000308861277 229254335 /nfs/dbraw/zinc/25/43/35/229254335.db2.gz RLTFFVXMSQJSFE-JTQLQIEISA-N 0 0 207.292 3.816 20 0 BHADRN C[C@H](CCC1CC1)Nc1cccc(F)c1 ZINC000308861278 229254495 /nfs/dbraw/zinc/25/44/95/229254495.db2.gz RLTFFVXMSQJSFE-SNVBAGLBSA-N 0 0 207.292 3.816 20 0 BHADRN 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/nfs/dbraw/zinc/04/92/08/491049208.db2.gz IOYDLPMYFPOKDB-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN FCCCCNc1ccc(C2CC2)cc1 ZINC000308873215 491139480 /nfs/dbraw/zinc/13/94/80/491139480.db2.gz LSFZWRWUQQETDT-UHFFFAOYSA-N 0 0 207.292 3.726 20 0 BHADRN CC(C)c1cnc(N[C@H](C)C2CCC2)s1 ZINC000308874641 491139352 /nfs/dbraw/zinc/13/93/52/491139352.db2.gz RZYWZPRTGZSEDA-SECBINFHSA-N 0 0 224.373 3.867 20 0 BHADRN CC(C)c1cnc(N[C@@H](C)C2CCC2)s1 ZINC000308874642 491139355 /nfs/dbraw/zinc/13/93/55/491139355.db2.gz RZYWZPRTGZSEDA-VIFPVBQESA-N 0 0 224.373 3.867 20 0 BHADRN FCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000308875042 229254932 /nfs/dbraw/zinc/25/49/32/229254932.db2.gz MXSSGDDSXCEIQF-UHFFFAOYSA-N 0 0 248.128 3.542 20 0 BHADRN CC(C)c1nnc(NCCC(C)(C)C)s1 ZINC000308875172 385238696 /nfs/dbraw/zinc/23/86/96/385238696.db2.gz SAUSDOKCDBBFPJ-UHFFFAOYSA-N 0 0 227.377 3.510 20 0 BHADRN CC(C)CCN[C@H](C(C)(C)C)C(F)(F)F ZINC000308876050 353586925 /nfs/dbraw/zinc/58/69/25/353586925.db2.gz SGXXUHDRKGFVJJ-SECBINFHSA-N 0 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TUYSTRPAOQGADP-UHFFFAOYSA-N 0 0 217.234 3.517 20 0 BHADRN Cc1cccc(OCCCCCF)c1C ZINC000308943683 229263894 /nfs/dbraw/zinc/26/38/94/229263894.db2.gz TXZODPANTPGVOK-UHFFFAOYSA-N 0 0 210.292 3.822 20 0 BHADRN CC[C@H](CC(F)(F)F)Nc1ncc(C)s1 ZINC000308944689 188165420 /nfs/dbraw/zinc/16/54/20/188165420.db2.gz NJPWOTUMNCXAOU-SSDOTTSWSA-N 0 0 238.278 3.594 20 0 BHADRN CC[C@@H](CC(F)(F)F)Nc1ncc(C)s1 ZINC000308944690 385300943 /nfs/dbraw/zinc/30/09/43/385300943.db2.gz NJPWOTUMNCXAOU-ZETCQYMHSA-N 0 0 238.278 3.594 20 0 BHADRN CCc1cccc(OCCCCCF)c1 ZINC000308945790 529542805 /nfs/dbraw/zinc/54/28/05/529542805.db2.gz USRAJWJIVJYOOI-UHFFFAOYSA-N 0 0 210.292 3.768 20 0 BHADRN Cc1ccc(OCCCCCF)cc1F ZINC000308946301 385310157 /nfs/dbraw/zinc/31/01/57/385310157.db2.gz UWKASBJXILJVMU-UHFFFAOYSA-N 0 0 214.255 3.653 20 0 BHADRN C[C@H](O)CCCSCc1ccccc1Cl ZINC000308946735 385310268 /nfs/dbraw/zinc/31/02/68/385310268.db2.gz WLYCEPOYNHCYPK-JTQLQIEISA-N 0 0 244.787 3.734 20 0 BHADRN CCC[C@H](C)Nc1ncc(C(F)(F)F)s1 ZINC000308946972 491140812 /nfs/dbraw/zinc/14/08/12/491140812.db2.gz OAPZNUDJKTWBSG-LURJTMIESA-N 0 0 238.278 3.762 20 0 BHADRN CCC[C@@H](C)Nc1ncc(C(F)(F)F)s1 ZINC000308946973 491140880 /nfs/dbraw/zinc/14/08/80/491140880.db2.gz OAPZNUDJKTWBSG-ZCFIWIBFSA-N 0 0 238.278 3.762 20 0 BHADRN C[C@@H](O)CCCSCc1ccccc1Cl ZINC000308947114 175952008 /nfs/dbraw/zinc/95/20/08/175952008.db2.gz WLYCEPOYNHCYPK-SNVBAGLBSA-N 0 0 244.787 3.734 20 0 BHADRN Fc1cccc(NCc2nccs2)c1Cl ZINC000308947739 181001669 /nfs/dbraw/zinc/00/16/69/181001669.db2.gz SYBPABUCFVZOAK-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN CCc1nc(-c2ccccc2)c(CC)s1 ZINC000308947802 529704396 /nfs/dbraw/zinc/70/43/96/529704396.db2.gz VKHVGTRVXLUXCP-UHFFFAOYSA-N 0 0 217.337 3.935 20 0 BHADRN Cc1ccc(C)c(SCCC[C@@H](C)O)c1 ZINC000308949516 385311205 /nfs/dbraw/zinc/31/12/05/385311205.db2.gz XFYVLQUFSQWIFX-GFCCVEGCSA-N 0 0 224.369 3.557 20 0 BHADRN Cc1ccc(C)c(SCCC[C@H](C)O)c1 ZINC000308949517 178492733 /nfs/dbraw/zinc/49/27/33/178492733.db2.gz 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ZINC000308958046 229264491 /nfs/dbraw/zinc/26/44/91/229264491.db2.gz ZKDHKUWGEGTLGS-UHFFFAOYSA-N 0 0 210.292 3.822 20 0 BHADRN FC1(CNc2cccc3ccsc32)CC1 ZINC000308958498 323182433 /nfs/dbraw/zinc/18/24/33/323182433.db2.gz YEJZQXFYYVHUDK-UHFFFAOYSA-N 0 0 221.300 3.815 20 0 BHADRN CCC(CC)Nc1cc(C2CC2)ccn1 ZINC000308963983 168393513 /nfs/dbraw/zinc/39/35/13/168393513.db2.gz UBODDQCQCATUMC-UHFFFAOYSA-N 0 0 204.317 3.560 20 0 BHADRN Cc1sc(NCC2CCC2)nc1C1CC1 ZINC000308964299 385316258 /nfs/dbraw/zinc/31/62/58/385316258.db2.gz UHWQTSDLVKOTKI-UHFFFAOYSA-N 0 0 222.357 3.541 20 0 BHADRN COC1(CNc2ccsc2Cl)CCCC1 ZINC000308964684 229273410 /nfs/dbraw/zinc/27/34/10/229273410.db2.gz UNIWVOYLIDEWGT-UHFFFAOYSA-N 0 0 245.775 3.773 20 0 BHADRN CCCC(CCC)[NH2+][C@@H]1CCCC1(F)F ZINC000308965799 491141441 /nfs/dbraw/zinc/14/14/41/491141441.db2.gz VMNLFIICSAITCC-LLVKDONJSA-N 0 0 219.319 3.733 20 0 BHADRN CCCC(CCC)[NH2+][C@H]1CCCC1(F)F ZINC000308965800 491141497 /nfs/dbraw/zinc/14/14/97/491141497.db2.gz VMNLFIICSAITCC-NSHDSACASA-N 0 0 219.319 3.733 20 0 BHADRN CSC(C)(C)CNc1nc(C)ccc1Cl ZINC000308969912 631775004 /nfs/dbraw/zinc/77/50/04/631775004.db2.gz YOXOBIJYLLRTBF-UHFFFAOYSA-N 0 0 244.791 3.597 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)C2CCC2)n1 ZINC000308970500 631774035 /nfs/dbraw/zinc/77/40/35/631774035.db2.gz ZAIPCWTXFRNIGF-SECBINFHSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000308970916 490373673 /nfs/dbraw/zinc/37/36/73/490373673.db2.gz PIOVBQLOPDVXLF-IACUBPJLSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1cccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000308970917 410192161 /nfs/dbraw/zinc/19/21/61/410192161.db2.gz PIOVBQLOPDVXLF-KWCYVHTRSA-N 0 0 201.313 3.596 20 0 BHADRN CCCC(CCC)N[C@@H](CC)C(F)(F)F ZINC000308971407 528000668 /nfs/dbraw/zinc/00/06/68/528000668.db2.gz ZRMDMUPZWADXMM-JTQLQIEISA-N 0 0 225.298 3.886 20 0 BHADRN C[C@H]1CSC[C@@H]1Nc1cc(F)cc(Cl)c1 ZINC000308971739 229284222 /nfs/dbraw/zinc/28/42/22/229284222.db2.gz PUDPHUYAMDRCRC-CPCISQLKSA-N 0 0 245.750 3.643 20 0 BHADRN C[C@@H]1CSC[C@@H]1Nc1cc(F)cc(Cl)c1 ZINC000308971740 229285354 /nfs/dbraw/zinc/28/53/54/229285354.db2.gz PUDPHUYAMDRCRC-HQJQHLMTSA-N 0 0 245.750 3.643 20 0 BHADRN C[C@@H]1CSC[C@H]1Nc1cc(F)cc(Cl)c1 ZINC000308971741 229285255 /nfs/dbraw/zinc/28/52/55/229285255.db2.gz PUDPHUYAMDRCRC-RDDDGLTNSA-N 0 0 245.750 3.643 20 0 BHADRN C[C@H]1CSC[C@H]1Nc1cc(F)cc(Cl)c1 ZINC000308971742 229284518 /nfs/dbraw/zinc/28/45/18/229284518.db2.gz PUDPHUYAMDRCRC-WRWORJQWSA-N 0 0 245.750 3.643 20 0 BHADRN Cc1ccc(Cl)c(NC[C@@H](C)C2CC2)n1 ZINC000308973228 631769407 /nfs/dbraw/zinc/76/94/07/631769407.db2.gz FUNHLLYWRUVUTR-MRVPVSSYSA-N 0 0 224.735 3.501 20 0 BHADRN Cc1ccc(Cl)c(NC[C@H](C)C2CC2)n1 ZINC000308973229 631769988 /nfs/dbraw/zinc/76/99/88/631769988.db2.gz FUNHLLYWRUVUTR-QMMMGPOBSA-N 0 0 224.735 3.501 20 0 BHADRN CC(C)CC(C)(C)CNc1ccccn1 ZINC000308973463 527680753 /nfs/dbraw/zinc/68/07/53/527680753.db2.gz FWPRHSAVFFEELW-UHFFFAOYSA-N 0 0 206.333 3.566 20 0 BHADRN CCNc1cccc(-c2nc(C)cs2)c1 ZINC000308973491 170174873 /nfs/dbraw/zinc/17/48/73/170174873.db2.gz AMKRDBIALDROFL-UHFFFAOYSA-N 0 0 218.325 3.550 20 0 BHADRN CSc1ccccc1N[C@@H]1C[C@@H](C)[C@H]1C ZINC000308975555 229288237 /nfs/dbraw/zinc/28/82/37/229288237.db2.gz IGBLJEYVZDPQPB-CKYFFXLPSA-N 0 0 221.369 3.865 20 0 BHADRN CSc1ccccc1N[C@@H]1C[C@H](C)[C@H]1C ZINC000308975556 229287919 /nfs/dbraw/zinc/28/79/19/229287919.db2.gz IGBLJEYVZDPQPB-HOSYDEDBSA-N 0 0 221.369 3.865 20 0 BHADRN CSc1ccccc1N[C@@H]1C[C@H](C)[C@@H]1C ZINC000308975557 229288181 /nfs/dbraw/zinc/28/81/81/229288181.db2.gz IGBLJEYVZDPQPB-JBLDHEPKSA-N 0 0 221.369 3.865 20 0 BHADRN CSc1ccccc1N[C@@H]1C[C@@H](C)[C@@H]1C ZINC000308975558 229288082 /nfs/dbraw/zinc/28/80/82/229288082.db2.gz IGBLJEYVZDPQPB-JFGNBEQYSA-N 0 0 221.369 3.865 20 0 BHADRN Cc1sc(NCCC(C)C)nc1C1CC1 ZINC000308975754 385330689 /nfs/dbraw/zinc/33/06/89/385330689.db2.gz GPCCWVXURNUDBV-UHFFFAOYSA-N 0 0 224.373 3.787 20 0 BHADRN CC1(CNc2cc(F)ccc2F)CCC1 ZINC000308977530 491085969 /nfs/dbraw/zinc/08/59/69/491085969.db2.gz IZVJELRLQQVCBH-UHFFFAOYSA-N 0 0 211.255 3.567 20 0 BHADRN CC(C)(C)c1csc(NC2CCCC2)n1 ZINC000308980209 526838091 /nfs/dbraw/zinc/83/80/91/526838091.db2.gz HWWMJNHIYUABOG-UHFFFAOYSA-N 0 0 224.373 3.795 20 0 BHADRN Cc1ccsc1[C@@H](C)NC1(C(F)F)CC1 ZINC000308994372 385336072 /nfs/dbraw/zinc/33/60/72/385336072.db2.gz MABAIPUYVQXIIS-MRVPVSSYSA-N 0 0 231.311 3.505 20 0 BHADRN Cc1ccsc1[C@H](C)NC1(C(F)F)CC1 ZINC000308994374 385336179 /nfs/dbraw/zinc/33/61/79/385336179.db2.gz MABAIPUYVQXIIS-QMMMGPOBSA-N 0 0 231.311 3.505 20 0 BHADRN CC(C)CCNc1ccnc2ccsc21 ZINC000308995090 397844454 /nfs/dbraw/zinc/84/44/54/397844454.db2.gz MGRLMVSYTROQEE-UHFFFAOYSA-N 0 0 220.341 3.754 20 0 BHADRN CSc1cccc(N[C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000308995614 533029127 /nfs/dbraw/zinc/02/91/27/533029127.db2.gz PKYCHPGJLDTVQF-GBIKHYSHSA-N 0 0 221.369 3.865 20 0 BHADRN CSc1cccc(N[C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000308995615 533028924 /nfs/dbraw/zinc/02/89/24/533028924.db2.gz 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ZINC000309026845 527671111 /nfs/dbraw/zinc/67/11/11/527671111.db2.gz YNPIPOIKCNIRRT-UHFFFAOYSA-N 0 0 214.255 3.780 20 0 BHADRN Cc1ccc(NC[C@H]2CC2(Cl)Cl)cc1F ZINC000309027561 631809057 /nfs/dbraw/zinc/80/90/57/631809057.db2.gz BQWMHRXQVNBTFB-MRVPVSSYSA-N 0 0 248.128 3.740 20 0 BHADRN Cc1ccc(NC[C@@H]2CC2(Cl)Cl)cc1F ZINC000309027562 633844178 /nfs/dbraw/zinc/84/41/78/633844178.db2.gz BQWMHRXQVNBTFB-QMMMGPOBSA-N 0 0 248.128 3.740 20 0 BHADRN CSC(C)(C)CNc1cc[nH+]c(C)c1Cl ZINC000309027866 631809866 /nfs/dbraw/zinc/80/98/66/631809866.db2.gz ZFDUTTIXKOOOIC-UHFFFAOYSA-N 0 0 244.791 3.597 20 0 BHADRN CCSCCNc1cccc(Cl)c1OC ZINC000309028535 385378535 /nfs/dbraw/zinc/37/85/35/385378535.db2.gz CENWWWXPYHCOPJ-UHFFFAOYSA-N 0 0 245.775 3.514 20 0 BHADRN CCc1ccc(NCCCCF)cc1F ZINC000309028777 529688351 /nfs/dbraw/zinc/68/83/51/529688351.db2.gz CIFIMIKNRWEWIM-UHFFFAOYSA-N 0 0 213.271 3.550 20 0 BHADRN CCCOc1ccccc1NC/C=C/Cl ZINC000309028830 631808913 /nfs/dbraw/zinc/80/89/13/631808913.db2.gz 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224.735 3.788 20 0 BHADRN Cc1cc(CNc2nccs2)ccc1Cl ZINC000309069280 631833618 /nfs/dbraw/zinc/83/36/18/631833618.db2.gz ATYHDXQNFHWFOA-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CC(C)=CCNc1ccc2ccoc2c1 ZINC000309069427 527446424 /nfs/dbraw/zinc/44/64/24/527446424.db2.gz BXXJHIOFOFXONS-UHFFFAOYSA-N 0 0 201.269 3.811 20 0 BHADRN Cc1ccc(NCc2ccsc2Cl)nc1 ZINC000309069908 385402017 /nfs/dbraw/zinc/40/20/17/385402017.db2.gz AYQPLUUNNJREKG-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CCCC[C@H](CC)N[C@@H](CC)C(F)(F)F ZINC000309069981 528915555 /nfs/dbraw/zinc/91/55/55/528915555.db2.gz BANRLGYHVQPCMK-UWVGGRQHSA-N 0 0 225.298 3.886 20 0 BHADRN CCCC[C@@H](CC)N[C@@H](CC)C(F)(F)F ZINC000309069982 528782903 /nfs/dbraw/zinc/78/29/03/528782903.db2.gz BANRLGYHVQPCMK-ZJUUUORDSA-N 0 0 225.298 3.886 20 0 BHADRN CC(C)=CCNc1cccc2cc[nH]c21 ZINC000309071152 346961254 /nfs/dbraw/zinc/96/12/54/346961254.db2.gz DCOKXECPDLNCIJ-UHFFFAOYSA-N 0 0 200.285 3.546 20 0 BHADRN CSCc1cccc(NC[C@H]2C[C@@H]2C)c1 ZINC000309071395 259341642 /nfs/dbraw/zinc/34/16/42/259341642.db2.gz DMNPKWCDXBMKLE-CMPLNLGQSA-N 0 0 221.369 3.618 20 0 BHADRN CSCc1cccc(NC[C@@H]2C[C@@H]2C)c1 ZINC000309071396 259341662 /nfs/dbraw/zinc/34/16/62/259341662.db2.gz DMNPKWCDXBMKLE-JQWIXIFHSA-N 0 0 221.369 3.618 20 0 BHADRN CSCc1cccc(NC[C@@H]2C[C@H]2C)c1 ZINC000309071397 259341750 /nfs/dbraw/zinc/34/17/50/259341750.db2.gz DMNPKWCDXBMKLE-PWSUYJOCSA-N 0 0 221.369 3.618 20 0 BHADRN CSCc1cccc(NC[C@H]2C[C@H]2C)c1 ZINC000309071398 259341758 /nfs/dbraw/zinc/34/17/58/259341758.db2.gz DMNPKWCDXBMKLE-ZYHUDNBSSA-N 0 0 221.369 3.618 20 0 BHADRN Cc1noc(C)c1CNc1ccsc1Cl ZINC000309072378 385403887 /nfs/dbraw/zinc/40/38/87/385403887.db2.gz FRQXZEAWZPNTEQ-UHFFFAOYSA-N 0 0 242.731 3.618 20 0 BHADRN COc1ccc(Cl)c(NCC2(C)CC2)c1 ZINC000309072611 323225880 /nfs/dbraw/zinc/22/58/80/323225880.db2.gz GFGFYZHGVDJFOO-UHFFFAOYSA-N 0 0 225.719 3.561 20 0 BHADRN CC(C)CSCCNc1cccc(Cl)n1 ZINC000309072723 631837768 /nfs/dbraw/zinc/83/77/68/631837768.db2.gz 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/nfs/dbraw/zinc/87/45/50/527874550.db2.gz WNFPLYNEEPMFPF-CHWSQXEVSA-N 0 0 221.369 3.629 20 0 BHADRN CC(C)[C@@H]1C[C@@H](Nc2ccccc2)CS1 ZINC000309085226 528766955 /nfs/dbraw/zinc/76/69/55/528766955.db2.gz WNFPLYNEEPMFPF-OLZOCXBDSA-N 0 0 221.369 3.629 20 0 BHADRN CC(C)[C@H]1C[C@H](Nc2ccccc2)CS1 ZINC000309085227 527884223 /nfs/dbraw/zinc/88/42/23/527884223.db2.gz WNFPLYNEEPMFPF-QWHCGFSZSA-N 0 0 221.369 3.629 20 0 BHADRN CC(C)[C@@H]1C[C@H](Nc2ccccc2)CS1 ZINC000309085228 528786861 /nfs/dbraw/zinc/78/68/61/528786861.db2.gz WNFPLYNEEPMFPF-STQMWFEESA-N 0 0 221.369 3.629 20 0 BHADRN CC(C)C[C@H](C)N[C@@H](C(C)C)C(F)(F)F ZINC000309085685 528475367 /nfs/dbraw/zinc/47/53/67/528475367.db2.gz XCYMXPSELWDPAZ-UWVGGRQHSA-N 0 0 225.298 3.598 20 0 BHADRN CC(C)C[C@@H](C)N[C@@H](C(C)C)C(F)(F)F ZINC000309085686 528268506 /nfs/dbraw/zinc/26/85/06/528268506.db2.gz XCYMXPSELWDPAZ-ZJUUUORDSA-N 0 0 225.298 3.598 20 0 BHADRN COc1cc(Cl)ccc1N[C@H](C)C(C)C ZINC000309087174 631874919 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BGBJZBNDJVHGCN-VQCYPWCPSA-N 0 0 223.282 3.663 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1Nc1nccs1 ZINC000309088375 631875583 /nfs/dbraw/zinc/87/55/83/631875583.db2.gz BGNSHVADHCDJMJ-GHMZBOCLSA-N 0 0 224.373 3.914 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1Nc1nccs1 ZINC000309088376 631875263 /nfs/dbraw/zinc/87/52/63/631875263.db2.gz BGNSHVADHCDJMJ-MNOVXSKESA-N 0 0 224.373 3.914 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1Nc1nccs1 ZINC000309088377 631875642 /nfs/dbraw/zinc/87/56/42/631875642.db2.gz BGNSHVADHCDJMJ-QWRGUYRKSA-N 0 0 224.373 3.914 20 0 BHADRN CCC[C@H]1CCCC[C@H]1Nc1nccs1 ZINC000309088378 631875309 /nfs/dbraw/zinc/87/53/09/631875309.db2.gz BGNSHVADHCDJMJ-WDEREUQCSA-N 0 0 224.373 3.914 20 0 BHADRN CCC[C@H](C)CN[C@@H](C(C)C)C(F)(F)F ZINC000309092801 528034278 /nfs/dbraw/zinc/03/42/78/528034278.db2.gz CTUAFVDQOBXPGI-UWVGGRQHSA-N 0 0 225.298 3.599 20 0 BHADRN CCC[C@@H](C)CN[C@@H](C(C)C)C(F)(F)F ZINC000309092802 528877936 /nfs/dbraw/zinc/87/79/36/528877936.db2.gz CTUAFVDQOBXPGI-ZJUUUORDSA-N 0 0 225.298 3.599 20 0 BHADRN CCCC[C@H](CC)[NH2+]Cc1ccc(Cl)o1 ZINC000309093936 491144680 /nfs/dbraw/zinc/14/46/80/491144680.db2.gz DEYQWVOJLCKRPF-JTQLQIEISA-N 0 0 229.751 3.991 20 0 BHADRN CCCC[C@@H](CC)[NH2+]Cc1ccc(Cl)o1 ZINC000309093937 491144682 /nfs/dbraw/zinc/14/46/82/491144682.db2.gz DEYQWVOJLCKRPF-SNVBAGLBSA-N 0 0 229.751 3.991 20 0 BHADRN CCC(C)(C)CC[NH2+][C@@H](C)c1nccs1 ZINC000309094114 491144693 /nfs/dbraw/zinc/14/46/93/491144693.db2.gz CDFBJROWXWNUHZ-JTQLQIEISA-N 0 0 226.389 3.620 20 0 BHADRN CCC(C)(C)CC[NH2+][C@H](C)c1nccs1 ZINC000309094115 491144686 /nfs/dbraw/zinc/14/46/86/491144686.db2.gz CDFBJROWXWNUHZ-SNVBAGLBSA-N 0 0 226.389 3.620 20 0 BHADRN Cc1ccc(CNc2ccsc2Cl)nc1 ZINC000309095950 385407754 /nfs/dbraw/zinc/40/77/54/385407754.db2.gz DVUIQSQCQLPTQU-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CC[C@H](C)CNc1cccc2cc[nH]c21 ZINC000309097140 323316058 /nfs/dbraw/zinc/31/60/58/323316058.db2.gz FIXURTLYUHYRJH-JTQLQIEISA-N 0 0 202.301 3.626 20 0 BHADRN CC[C@@H](C)CNc1cccc2cc[nH]c21 ZINC000309097141 323316193 /nfs/dbraw/zinc/31/61/93/323316193.db2.gz FIXURTLYUHYRJH-SNVBAGLBSA-N 0 0 202.301 3.626 20 0 BHADRN Cc1cncc(NCc2sccc2Cl)c1 ZINC000309097172 385407417 /nfs/dbraw/zinc/40/74/17/385407417.db2.gz FJZSOOYPMLOVEL-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1sccc1CNc1ccccc1C ZINC000309097339 179305918 /nfs/dbraw/zinc/30/59/18/179305918.db2.gz HKBKIWFOYBNIQG-UHFFFAOYSA-N 0 0 217.337 3.977 20 0 BHADRN CC[C@@H](F)CNc1c(C)cc(C)cc1C ZINC000309098119 385407472 /nfs/dbraw/zinc/40/74/72/385407472.db2.gz FQEWQHXAXDHNTC-GFCCVEGCSA-N 0 0 209.308 3.772 20 0 BHADRN CC[C@H](F)CNc1c(C)cc(C)cc1C ZINC000309098120 385408010 /nfs/dbraw/zinc/40/80/10/385408010.db2.gz FQEWQHXAXDHNTC-LBPRGKRZSA-N 0 0 209.308 3.772 20 0 BHADRN Cc1ccc(Cl)c(NCCCC2CC2)n1 ZINC000309099547 632638574 /nfs/dbraw/zinc/63/85/74/632638574.db2.gz GDSFUKZMNMYMEQ-UHFFFAOYSA-N 0 0 224.735 3.646 20 0 BHADRN Cc1nc2cc(NC/C=C\Cl)ccc2s1 ZINC000309099981 631881455 /nfs/dbraw/zinc/88/14/55/631881455.db2.gz GGTIQJUOTGKITA-DJWKRKHSSA-N 0 0 238.743 3.769 20 0 BHADRN Cc1nc2cc(NC/C=C/Cl)ccc2s1 ZINC000309099982 631880863 /nfs/dbraw/zinc/88/08/63/631880863.db2.gz GGTIQJUOTGKITA-GORDUTHDSA-N 0 0 238.743 3.769 20 0 BHADRN CC1(c2csc(NC3CCCC3)n2)CC1 ZINC000309100370 168072888 /nfs/dbraw/zinc/07/28/88/168072888.db2.gz FJYOXYTWVUHEIW-UHFFFAOYSA-N 0 0 222.357 3.549 20 0 BHADRN Cc1cc(Cl)cnc1NCc1ccsc1 ZINC000309100578 178071807 /nfs/dbraw/zinc/07/18/07/178071807.db2.gz GOMDEFLTXZUSQU-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1sccc1CNc1ccc(F)cc1 ZINC000309101497 180566725 /nfs/dbraw/zinc/56/67/25/180566725.db2.gz JJIHYDWEWYEHHJ-UHFFFAOYSA-N 0 0 221.300 3.808 20 0 BHADRN C[C@H]1CC[C@H]1Nc1cccc(C(F)F)c1 ZINC000309101965 631884761 /nfs/dbraw/zinc/88/47/61/631884761.db2.gz GFTYVTLOQIPPDZ-GZMMTYOYSA-N 0 0 211.255 3.835 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1cccc(C(F)F)c1 ZINC000309101966 631884303 /nfs/dbraw/zinc/88/43/03/631884303.db2.gz GFTYVTLOQIPPDZ-KCJUWKMLSA-N 0 0 211.255 3.835 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1cccc(C(F)F)c1 ZINC000309101967 631882890 /nfs/dbraw/zinc/88/28/90/631882890.db2.gz GFTYVTLOQIPPDZ-KWQFWETISA-N 0 0 211.255 3.835 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1cccc(C(F)F)c1 ZINC000309101968 631884401 /nfs/dbraw/zinc/88/44/01/631884401.db2.gz GFTYVTLOQIPPDZ-LDYMZIIASA-N 0 0 211.255 3.835 20 0 BHADRN Cc1ccc(N[C@H](C)C2CCC2)cc1C ZINC000309104852 229347850 /nfs/dbraw/zinc/34/78/50/229347850.db2.gz HMCNINBSWVPZAS-GFCCVEGCSA-N 0 0 203.329 3.904 20 0 BHADRN Cc1ccc(N[C@@H](C)C2CCC2)cc1C ZINC000309104853 229348211 /nfs/dbraw/zinc/34/82/11/229348211.db2.gz HMCNINBSWVPZAS-LBPRGKRZSA-N 0 0 203.329 3.904 20 0 BHADRN CC1(CNc2ccc3scnc3c2)CC1 ZINC000309105654 350013275 /nfs/dbraw/zinc/01/32/75/350013275.db2.gz HUGNLRYPMQDMHD-UHFFFAOYSA-N 0 0 218.325 3.508 20 0 BHADRN CC1(CNc2ccc(C3CC3)cc2)CC1 ZINC000309106437 491145060 /nfs/dbraw/zinc/14/50/60/491145060.db2.gz IEDQSAKBNXXOAC-UHFFFAOYSA-N 0 0 201.313 3.776 20 0 BHADRN CC1CC(Nc2ccc3ccoc3c2)C1 ZINC000309107097 528164095 /nfs/dbraw/zinc/16/40/95/528164095.db2.gz ILIDTIJYWFJOPV-UHFFFAOYSA-N 0 0 201.269 3.643 20 0 BHADRN CC1(C)CC(Nc2ccc(F)c(F)c2)C1 ZINC000309108433 528892082 /nfs/dbraw/zinc/89/20/82/528892082.db2.gz IWMZEDMSFVNOFG-UHFFFAOYSA-N 0 0 211.255 3.565 20 0 BHADRN C[C@@H](NCc1cscc1Cl)c1ccco1 ZINC000309110635 631888703 /nfs/dbraw/zinc/88/87/03/631888703.db2.gz JNPJJUGUBMGQDO-MRVPVSSYSA-N 0 0 241.743 3.845 20 0 BHADRN C[C@H](NCc1cscc1Cl)c1ccco1 ZINC000309110636 631888927 /nfs/dbraw/zinc/88/89/27/631888927.db2.gz JNPJJUGUBMGQDO-QMMMGPOBSA-N 0 0 241.743 3.845 20 0 BHADRN Cc1ccc(N[C@H](C)C2CCC2)c(C)c1 ZINC000309111396 229359982 /nfs/dbraw/zinc/35/99/82/229359982.db2.gz JTSUCYILZGCIPB-GFCCVEGCSA-N 0 0 203.329 3.904 20 0 BHADRN Cc1ccc(N[C@@H](C)C2CCC2)c(C)c1 ZINC000309111400 229359257 /nfs/dbraw/zinc/35/92/57/229359257.db2.gz JTSUCYILZGCIPB-LBPRGKRZSA-N 0 0 203.329 3.904 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)C1CCC1 ZINC000309111937 533892281 /nfs/dbraw/zinc/89/22/81/533892281.db2.gz JYCUKIKZFVEDDP-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)C1CCC1 ZINC000309111939 533892980 /nfs/dbraw/zinc/89/29/80/533892980.db2.gz JYCUKIKZFVEDDP-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN CC1=CC[C@@H](Nc2cccc(F)c2)CC1 ZINC000309113070 350038249 /nfs/dbraw/zinc/03/82/49/350038249.db2.gz KIZIGIAXJPDKSP-GFCCVEGCSA-N 0 0 205.276 3.736 20 0 BHADRN CC1=CC[C@H](Nc2cccc(F)c2)CC1 ZINC000309113071 350038619 /nfs/dbraw/zinc/03/86/19/350038619.db2.gz KIZIGIAXJPDKSP-LBPRGKRZSA-N 0 0 205.276 3.736 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc2scnc2c1 ZINC000309113782 631887621 /nfs/dbraw/zinc/88/76/21/631887621.db2.gz KPDNOEQPUZZUEY-PSASIEDQSA-N 0 0 218.325 3.507 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc2scnc2c1 ZINC000309113784 631887074 /nfs/dbraw/zinc/88/70/74/631887074.db2.gz KPDNOEQPUZZUEY-SCZZXKLOSA-N 0 0 218.325 3.507 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccc2scnc2c1 ZINC000309113785 631887582 /nfs/dbraw/zinc/88/75/82/631887582.db2.gz KPDNOEQPUZZUEY-WCBMZHEXSA-N 0 0 218.325 3.507 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccc2scnc2c1 ZINC000309113787 631887313 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NWNNLXHPCXPHPE-GFCCVEGCSA-N 0 0 207.317 3.595 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CCNc1nccs1 ZINC000309126175 632642144 /nfs/dbraw/zinc/64/21/44/632642144.db2.gz PQLUFMQDUWGTEE-GHMZBOCLSA-N 0 0 224.373 3.771 20 0 BHADRN C/C=C\c1ccc(NCCC2CC2)cc1 ZINC000309126508 526342042 /nfs/dbraw/zinc/34/20/42/526342042.db2.gz PXGYGSGCGIWEGQ-IHWYPQMZSA-N 0 0 201.313 3.932 20 0 BHADRN C/C=C/c1ccc(NCCC2CC2)cc1 ZINC000309126509 526306147 /nfs/dbraw/zinc/30/61/47/526306147.db2.gz PXGYGSGCGIWEGQ-NSCUHMNNSA-N 0 0 201.313 3.932 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccnc2ccsc21 ZINC000309128033 534201713 /nfs/dbraw/zinc/20/17/13/534201713.db2.gz QJIVVGNTLWNQGJ-BDAKNGLRSA-N 0 0 218.325 3.507 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccnc2ccsc21 ZINC000309128035 533772224 /nfs/dbraw/zinc/77/22/24/533772224.db2.gz QJIVVGNTLWNQGJ-DTWKUNHWSA-N 0 0 218.325 3.507 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccnc2ccsc21 ZINC000309128038 533725783 /nfs/dbraw/zinc/72/57/83/533725783.db2.gz QJIVVGNTLWNQGJ-IUCAKERBSA-N 0 0 218.325 3.507 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccnc2ccsc21 ZINC000309128040 534263505 /nfs/dbraw/zinc/26/35/05/534263505.db2.gz QJIVVGNTLWNQGJ-RKDXNWHRSA-N 0 0 218.325 3.507 20 0 BHADRN Cc1ccnc(N[C@@H]2CC[C@@H](C)C2)c1Cl ZINC000309130523 385431333 /nfs/dbraw/zinc/43/13/33/385431333.db2.gz QZDXGAKXGRKBGY-PSASIEDQSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccnc(N[C@H]2CC[C@@H](C)C2)c1Cl ZINC000309130524 179460171 /nfs/dbraw/zinc/46/01/71/179460171.db2.gz QZDXGAKXGRKBGY-SCZZXKLOSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccnc(N[C@@H]2CC[C@H](C)C2)c1Cl ZINC000309130525 385431787 /nfs/dbraw/zinc/43/17/87/385431787.db2.gz QZDXGAKXGRKBGY-WCBMZHEXSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccnc(N[C@H]2CC[C@H](C)C2)c1Cl ZINC000309130526 385430918 /nfs/dbraw/zinc/43/09/18/385430918.db2.gz QZDXGAKXGRKBGY-WPRPVWTQSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccnc(N[C@@H]2CCC[C@H]2C)c1Cl ZINC000309136305 322895008 /nfs/dbraw/zinc/89/50/08/322895008.db2.gz SCTQDSYZTCFMCL-PSASIEDQSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccnc(N[C@H]2CCC[C@H]2C)c1Cl ZINC000309136307 322894960 /nfs/dbraw/zinc/89/49/60/322894960.db2.gz SCTQDSYZTCFMCL-SCZZXKLOSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccnc(N[C@@H]2CCC[C@@H]2C)c1Cl ZINC000309136309 385102330 /nfs/dbraw/zinc/10/23/30/385102330.db2.gz SCTQDSYZTCFMCL-WCBMZHEXSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccnc(N[C@H]2CCC[C@@H]2C)c1Cl ZINC000309136311 385103035 /nfs/dbraw/zinc/10/30/35/385103035.db2.gz SCTQDSYZTCFMCL-WPRPVWTQSA-N 0 0 224.735 3.644 20 0 BHADRN CC[C@@H](Nc1cccc(C)n1)C(C)(C)C ZINC000309138853 385102397 /nfs/dbraw/zinc/10/23/97/385102397.db2.gz GPQKJGGOWQQLSU-LLVKDONJSA-N 0 0 206.333 3.627 20 0 BHADRN CC[C@H](Nc1cccc(C)n1)C(C)(C)C ZINC000309138855 385432582 /nfs/dbraw/zinc/43/25/82/385432582.db2.gz GPQKJGGOWQQLSU-NSHDSACASA-N 0 0 206.333 3.627 20 0 BHADRN Cc1nc(Cl)ccc1N[C@H](C)C1CCC1 ZINC000309139356 631910254 /nfs/dbraw/zinc/91/02/54/631910254.db2.gz SRPJRTQCIVKAEN-MRVPVSSYSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(Cl)ccc1N[C@@H](C)C1CCC1 ZINC000309139358 631910474 /nfs/dbraw/zinc/91/04/74/631910474.db2.gz SRPJRTQCIVKAEN-QMMMGPOBSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccncc1CNc1ccsc1Cl ZINC000309140276 179490448 /nfs/dbraw/zinc/49/04/48/179490448.db2.gz GZLGTADGAHEPBN-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CC[C@H](F)CNc1cc(SC)ccc1C ZINC000309141361 385109239 /nfs/dbraw/zinc/10/92/39/385109239.db2.gz HGOCOFDRTHONDG-JTQLQIEISA-N 0 0 227.348 3.877 20 0 BHADRN CC[C@@H](F)CNc1cc(SC)ccc1C ZINC000309141362 385109663 /nfs/dbraw/zinc/10/96/63/385109663.db2.gz HGOCOFDRTHONDG-SNVBAGLBSA-N 0 0 227.348 3.877 20 0 BHADRN CCCCCNc1cccc2cc[nH]c21 ZINC000309141778 323320129 /nfs/dbraw/zinc/32/01/29/323320129.db2.gz HJEVHDUQMVPNHY-UHFFFAOYSA-N 0 0 202.301 3.770 20 0 BHADRN Cc1cccc(C)c1NC[C@@H]1CC1(Cl)Cl ZINC000309141838 631906874 /nfs/dbraw/zinc/90/68/74/631906874.db2.gz HKFCGULIGPZEEN-JTQLQIEISA-N 0 0 244.165 3.909 20 0 BHADRN Cc1cccc(C)c1NC[C@H]1CC1(Cl)Cl ZINC000309141840 632646499 /nfs/dbraw/zinc/64/64/99/632646499.db2.gz HKFCGULIGPZEEN-SNVBAGLBSA-N 0 0 244.165 3.909 20 0 BHADRN C/C=C\c1ccc(NCCCCF)cc1 ZINC000309142378 385109674 /nfs/dbraw/zinc/10/96/74/385109674.db2.gz UCBZFPAPMQATQW-DJWKRKHSSA-N 0 0 207.292 3.881 20 0 BHADRN C/C=C/c1ccc(NCCCCF)cc1 ZINC000309142379 526305020 /nfs/dbraw/zinc/30/50/20/526305020.db2.gz UCBZFPAPMQATQW-GORDUTHDSA-N 0 0 207.292 3.881 20 0 BHADRN CC[C@@H](C)CNc1cccc(Cl)c1OC ZINC000309143478 385108129 /nfs/dbraw/zinc/10/81/29/385108129.db2.gz HTXHLXWVQLIEDE-SECBINFHSA-N 0 0 227.735 3.807 20 0 BHADRN CC[C@H](C)CNc1cccc(Cl)c1OC ZINC000309143479 529668974 /nfs/dbraw/zinc/66/89/74/529668974.db2.gz HTXHLXWVQLIEDE-VIFPVBQESA-N 0 0 227.735 3.807 20 0 BHADRN Cc1cccc(N[C@@H](C)C2CCC2)c1F ZINC000309144046 385108605 /nfs/dbraw/zinc/10/86/05/385108605.db2.gz UMKONEUBFMPABC-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cccc(N[C@H](C)C2CCC2)c1F ZINC000309144047 534748644 /nfs/dbraw/zinc/74/86/44/534748644.db2.gz UMKONEUBFMPABC-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN O=Cc1ccc(OCCCCCF)c(Cl)c1 ZINC000309144179 631909383 /nfs/dbraw/zinc/90/93/83/631909383.db2.gz DZIIRBXLYOOBQN-UHFFFAOYSA-N 0 0 244.693 3.671 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)C2CCC2)c1 ZINC000309144336 533688403 /nfs/dbraw/zinc/68/84/03/533688403.db2.gz USSANLYDBKTSOT-GFCCVEGCSA-N 0 0 203.329 3.904 20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)C2CCC2)c1 ZINC000309144337 533687478 /nfs/dbraw/zinc/68/74/78/533687478.db2.gz USSANLYDBKTSOT-LBPRGKRZSA-N 0 0 203.329 3.904 20 0 BHADRN Cc1ccc(N[C@@H](C)C2CCC2)c(F)c1 ZINC000309153028 322897453 /nfs/dbraw/zinc/89/74/53/322897453.db2.gz WTTVSWUUPDHBGV-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc(N[C@H](C)C2CCC2)c(F)c1 ZINC000309153030 385132572 /nfs/dbraw/zinc/13/25/72/385132572.db2.gz WTTVSWUUPDHBGV-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN C[C@@H](NCc1ccsc1Cl)c1ccc[nH]1 ZINC000309153138 631909763 /nfs/dbraw/zinc/90/97/63/631909763.db2.gz WUIUSWHGBLHTRF-MRVPVSSYSA-N 0 0 240.759 3.580 20 0 BHADRN C[C@H](NCc1ccsc1Cl)c1ccc[nH]1 ZINC000309153142 631909877 /nfs/dbraw/zinc/90/98/77/631909877.db2.gz WUIUSWHGBLHTRF-QMMMGPOBSA-N 0 0 240.759 3.580 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1csc2ccccc12 ZINC000309160508 385131317 /nfs/dbraw/zinc/13/13/17/385131317.db2.gz YURMCZIMXWIHRD-NXEZZACHSA-N 0 0 217.337 3.969 20 0 BHADRN C[C@H]1C[C@H]1CNc1csc2ccccc12 ZINC000309160509 229564049 /nfs/dbraw/zinc/56/40/49/229564049.db2.gz YURMCZIMXWIHRD-UWVGGRQHSA-N 0 0 217.337 3.969 20 0 BHADRN C[C@H]1C[C@@H]1CNc1csc2ccccc12 ZINC000309160510 385131807 /nfs/dbraw/zinc/13/18/07/385131807.db2.gz YURMCZIMXWIHRD-VHSXEESVSA-N 0 0 217.337 3.969 20 0 BHADRN C[C@@H]1C[C@H]1CNc1csc2ccccc12 ZINC000309160511 385132822 /nfs/dbraw/zinc/13/28/22/385132822.db2.gz YURMCZIMXWIHRD-ZJUUUORDSA-N 0 0 217.337 3.969 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)C2CCC2)n1 ZINC000309161033 632652298 /nfs/dbraw/zinc/65/22/98/632652298.db2.gz ZAIPCWTXFRNIGF-VIFPVBQESA-N 0 0 224.735 3.644 20 0 BHADRN Cc1nc(NC[C@@H]2CC=CCC2)sc1C ZINC000309164109 180018907 /nfs/dbraw/zinc/01/89/07/180018907.db2.gz IDUQKSXOVHGBTG-LLVKDONJSA-N 0 0 222.357 3.528 20 0 BHADRN Cc1nc(NC[C@H]2CC=CCC2)sc1C ZINC000309164110 180019026 /nfs/dbraw/zinc/01/90/26/180019026.db2.gz IDUQKSXOVHGBTG-NSHDSACASA-N 0 0 222.357 3.528 20 0 BHADRN Cc1cccc2nc(NC3CCC3)sc21 ZINC000309166942 179230760 /nfs/dbraw/zinc/23/07/60/179230760.db2.gz JLVPLKVORQRNRY-UHFFFAOYSA-N 0 0 218.325 3.569 20 0 BHADRN CCCCNc1cc(OC)c(C)cc1C ZINC000309167454 386211285 /nfs/dbraw/zinc/21/12/85/386211285.db2.gz JRHDNMIPLRJYQK-UHFFFAOYSA-N 0 0 207.317 3.524 20 0 BHADRN Cc1ccc(F)cc1NC[C@H]1CC1(Cl)Cl ZINC000309168846 631926007 /nfs/dbraw/zinc/92/60/07/631926007.db2.gz KIPUFPHEUBXUMG-MRVPVSSYSA-N 0 0 248.128 3.740 20 0 BHADRN Cc1ccc(F)cc1NC[C@@H]1CC1(Cl)Cl ZINC000309168847 632659278 /nfs/dbraw/zinc/65/92/78/632659278.db2.gz KIPUFPHEUBXUMG-QMMMGPOBSA-N 0 0 248.128 3.740 20 0 BHADRN Cc1ccccc1N[C@@H]1CC[C@H]1C1CC1 ZINC000309168856 491091442 /nfs/dbraw/zinc/09/14/42/491091442.db2.gz KITNYVVLCKTLMZ-GXTWGEPZSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccccc1N[C@H]1CC[C@H]1C1CC1 ZINC000309168857 491091477 /nfs/dbraw/zinc/09/14/77/491091477.db2.gz KITNYVVLCKTLMZ-JSGCOSHPSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccccc1N[C@H]1CC[C@@H]1C1CC1 ZINC000309168858 491146106 /nfs/dbraw/zinc/14/61/06/491146106.db2.gz KITNYVVLCKTLMZ-OCCSQVGLSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccccc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000309168859 491146115 /nfs/dbraw/zinc/14/61/15/491146115.db2.gz KITNYVVLCKTLMZ-TZMCWYRMSA-N 0 0 201.313 3.596 20 0 BHADRN CC[C@@H](F)CNc1c(F)cc(Cl)cc1F ZINC000309169960 385167617 /nfs/dbraw/zinc/16/76/17/385167617.db2.gz KXVSOBNWDQWEQA-SSDOTTSWSA-N 0 0 237.652 3.778 20 0 BHADRN CC[C@H](F)CNc1c(F)cc(Cl)cc1F ZINC000309169961 529438747 /nfs/dbraw/zinc/43/87/47/529438747.db2.gz KXVSOBNWDQWEQA-ZETCQYMHSA-N 0 0 237.652 3.778 20 0 BHADRN CC[C@H](F)CNc1c(C)cccc1SC ZINC000309170160 259311299 /nfs/dbraw/zinc/31/12/99/259311299.db2.gz LAWSFNSRBNACQD-JTQLQIEISA-N 0 0 227.348 3.877 20 0 BHADRN CC[C@@H](F)CNc1c(C)cccc1SC ZINC000309170161 259311285 /nfs/dbraw/zinc/31/12/85/259311285.db2.gz LAWSFNSRBNACQD-SNVBAGLBSA-N 0 0 227.348 3.877 20 0 BHADRN Cc1ccoc1CNCc1ccsc1Cl ZINC000309171085 385448589 /nfs/dbraw/zinc/44/85/89/385448589.db2.gz LJOBQUMGUWYODQ-UHFFFAOYSA-N 0 0 241.743 3.593 20 0 BHADRN CC/C=C\CCNc1cc(F)ccc1F ZINC000309171549 259311274 /nfs/dbraw/zinc/31/12/74/259311274.db2.gz LNDISHDHFCQBRG-ARJAWSKDSA-N 0 0 211.255 3.733 20 0 BHADRN CC/C=C/CCNc1cc(F)ccc1F ZINC000309171550 259311297 /nfs/dbraw/zinc/31/12/97/259311297.db2.gz LNDISHDHFCQBRG-ONEGZZNKSA-N 0 0 211.255 3.733 20 0 BHADRN Cc1ccc(Cl)c(OC[C@H]2CCCCO2)c1 ZINC000309171664 259369504 /nfs/dbraw/zinc/36/95/04/259369504.db2.gz AIHJKLISJHFPRX-LLVKDONJSA-N 0 0 240.730 3.596 20 0 BHADRN Cc1ccc(Cl)c(OC[C@@H]2CCCCO2)c1 ZINC000309171665 259342386 /nfs/dbraw/zinc/34/23/86/259342386.db2.gz AIHJKLISJHFPRX-NSHDSACASA-N 0 0 240.730 3.596 20 0 BHADRN COC(C)(C)CCOc1cc(C)ccc1Cl ZINC000309171727 385163118 /nfs/dbraw/zinc/16/31/18/385163118.db2.gz AMGSOTSBWBEDPT-UHFFFAOYSA-N 0 0 242.746 3.842 20 0 BHADRN COc1ccc(C)cc1N[C@@H]1CCC1(C)C ZINC000309172630 385163230 /nfs/dbraw/zinc/16/32/30/385163230.db2.gz AWHFLKINSUDIPJ-CYBMUJFWSA-N 0 0 219.328 3.604 20 0 BHADRN COc1ccc(C)cc1N[C@H]1CCC1(C)C ZINC000309172631 385163545 /nfs/dbraw/zinc/16/35/45/385163545.db2.gz AWHFLKINSUDIPJ-ZDUSSCGKSA-N 0 0 219.328 3.604 20 0 BHADRN FCCCCNc1cccc2c1CCCC2 ZINC000309172889 385163790 /nfs/dbraw/zinc/16/37/90/385163790.db2.gz AZFCJNKPCRKYFA-UHFFFAOYSA-N 0 0 221.319 3.727 20 0 BHADRN CCCCOCCOc1cc(C)ccc1Cl ZINC000309174386 322898353 /nfs/dbraw/zinc/89/83/53/322898353.db2.gz BQHJNHCMRNGNQJ-UHFFFAOYSA-N 0 0 242.746 3.844 20 0 BHADRN Cc1ccc(Cl)c(N[C@H]2CCC2(C)C)n1 ZINC000309174605 631922820 /nfs/dbraw/zinc/92/28/20/631922820.db2.gz MENIKWIYVAWOMU-JTQLQIEISA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H]2CCC2(C)C)n1 ZINC000309174606 632662874 /nfs/dbraw/zinc/66/28/74/632662874.db2.gz MENIKWIYVAWOMU-SNVBAGLBSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccc(CNc2ccsc2Cl)cn1 ZINC000309175705 491052692 /nfs/dbraw/zinc/05/26/92/491052692.db2.gz MQAKZLAFOFQWCJ-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1nc(NCCSC(C)(C)C)sc1C ZINC000309176624 632669714 /nfs/dbraw/zinc/66/97/14/632669714.db2.gz MXSQSMYRULOTHM-UHFFFAOYSA-N 0 0 244.429 3.704 20 0 BHADRN Cc1ccc(F)c(NC[C@H]2CC2(Cl)Cl)c1 ZINC000309176926 631922824 /nfs/dbraw/zinc/92/28/24/631922824.db2.gz NACXRARDWCMKDB-MRVPVSSYSA-N 0 0 248.128 3.740 20 0 BHADRN Cc1ccc(F)c(NC[C@@H]2CC2(Cl)Cl)c1 ZINC000309176927 632672042 /nfs/dbraw/zinc/67/20/42/632672042.db2.gz NACXRARDWCMKDB-QMMMGPOBSA-N 0 0 248.128 3.740 20 0 BHADRN CC[C@@H](F)CNc1cc(OC)ccc1Cl ZINC000309176943 322898705 /nfs/dbraw/zinc/89/87/05/322898705.db2.gz NBBCUFGKFSCOQG-MRVPVSSYSA-N 0 0 231.698 3.509 20 0 BHADRN CC[C@H](F)CNc1cc(OC)ccc1Cl ZINC000309176944 385170671 /nfs/dbraw/zinc/17/06/71/385170671.db2.gz NBBCUFGKFSCOQG-QMMMGPOBSA-N 0 0 231.698 3.509 20 0 BHADRN FC(F)c1nnc(NC2CCCCCC2)s1 ZINC000309180722 385453751 /nfs/dbraw/zinc/45/37/51/385453751.db2.gz CREWVZQRRFBTMY-UHFFFAOYSA-N 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223.341 3.719 20 0 BHADRN Cc1ccnc(NCCC2(C)CC2)c1Cl ZINC000309211758 385480222 /nfs/dbraw/zinc/48/02/22/385480222.db2.gz SXTULINXEVPQSC-UHFFFAOYSA-N 0 0 224.735 3.646 20 0 BHADRN FCCCCNc1cccc(C(F)(F)F)c1 ZINC000309216400 385265814 /nfs/dbraw/zinc/26/58/14/385265814.db2.gz PKFUOYKONIORAG-UHFFFAOYSA-N 0 0 235.224 3.867 20 0 BHADRN CCCCCCN[C@@](C)(CC)C(F)(F)F ZINC000309218445 631969181 /nfs/dbraw/zinc/96/91/81/631969181.db2.gz UWDUIKQNQLQUGP-JTQLQIEISA-N 0 0 225.298 3.887 20 0 BHADRN CCCCCCN[C@](C)(CC)C(F)(F)F ZINC000309218446 632819336 /nfs/dbraw/zinc/81/93/36/632819336.db2.gz UWDUIKQNQLQUGP-SNVBAGLBSA-N 0 0 225.298 3.887 20 0 BHADRN Cc1ccc(Cl)c(OC[C@H]2CC[C@@H](C)O2)c1 ZINC000309221011 259311543 /nfs/dbraw/zinc/31/15/43/259311543.db2.gz QMERHRPOQNUHNT-GHMZBOCLSA-N 0 0 240.730 3.595 20 0 BHADRN Cc1ccc(Cl)c(OC[C@@H]2CC[C@@H](C)O2)c1 ZINC000309221013 259311623 /nfs/dbraw/zinc/31/16/23/259311623.db2.gz QMERHRPOQNUHNT-MNOVXSKESA-N 0 0 240.730 3.595 20 0 BHADRN 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ZYXCTLKSJCQNPD-SMDDNHRTSA-N 0 0 219.328 3.686 20 0 BHADRN c1cc2nccc(NCC3CCCC3)c2s1 ZINC000309364995 383907673 /nfs/dbraw/zinc/90/76/73/383907673.db2.gz PKRCPPZEPMWCTI-UHFFFAOYSA-N 0 0 232.352 3.898 20 0 BHADRN FCCCCNc1ccc(C(F)(F)F)cc1 ZINC000309369350 259374819 /nfs/dbraw/zinc/37/48/19/259374819.db2.gz PCRBAUMUCNGWAK-UHFFFAOYSA-N 0 0 235.224 3.867 20 0 BHADRN C[C@H](NCCC1CCCCCC1)C(F)(F)F ZINC000309369587 343322520 /nfs/dbraw/zinc/32/25/20/343322520.db2.gz BSSKWNZKBURIHA-JTQLQIEISA-N 0 0 237.309 3.887 20 0 BHADRN C[C@@H](NCCC1CCCCCC1)C(F)(F)F ZINC000309369588 343322492 /nfs/dbraw/zinc/32/24/92/343322492.db2.gz BSSKWNZKBURIHA-SNVBAGLBSA-N 0 0 237.309 3.887 20 0 BHADRN CC(C)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000309370722 632023601 /nfs/dbraw/zinc/02/36/01/632023601.db2.gz QIONAIAGWZRFJE-UHFFFAOYSA-N 0 0 229.270 3.572 20 0 BHADRN CC(C)c1cnc(NCC2(C(F)F)CC2)s1 ZINC000309371485 385554135 /nfs/dbraw/zinc/55/41/35/385554135.db2.gz QPHNYSQGBVLISC-UHFFFAOYSA-N 0 0 246.326 3.724 20 0 BHADRN Cc1ccc(N[C@H](C)COC(C)C)c(Cl)c1 ZINC000309373120 383921943 /nfs/dbraw/zinc/92/19/43/383921943.db2.gz QTUCBXMXPPAKRF-LLVKDONJSA-N 0 0 241.762 3.874 20 0 BHADRN Cc1ccc(N[C@@H](C)COC(C)C)c(Cl)c1 ZINC000309373121 383920698 /nfs/dbraw/zinc/92/06/98/383920698.db2.gz QTUCBXMXPPAKRF-NSHDSACASA-N 0 0 241.762 3.874 20 0 BHADRN CC(C)[C@H](N[C@H](C)c1ccco1)C(F)(F)F ZINC000309373174 188526091 /nfs/dbraw/zinc/52/60/91/188526091.db2.gz QVHDXRJVAGZURB-SCZZXKLOSA-N 0 0 235.249 3.517 20 0 BHADRN CC(C)[C@H](N[C@@H](C)c1ccco1)C(F)(F)F ZINC000309373176 187997604 /nfs/dbraw/zinc/99/76/04/187997604.db2.gz QVHDXRJVAGZURB-WPRPVWTQSA-N 0 0 235.249 3.517 20 0 BHADRN Cc1c(F)ccc(Cl)c1NCCOC(C)C ZINC000309374364 383921019 /nfs/dbraw/zinc/92/10/19/383921019.db2.gz QYYVVPYQAOOOBR-UHFFFAOYSA-N 0 0 245.725 3.624 20 0 BHADRN COc1ccc(NCc2ccsc2C)cc1 ZINC000309374942 632989886 /nfs/dbraw/zinc/98/98/86/632989886.db2.gz FULXAGCWVWWJHN-UHFFFAOYSA-N 0 0 233.336 3.677 20 0 BHADRN CC(C)CCCNc1cc(CO)ccc1Cl ZINC000309375668 256524713 /nfs/dbraw/zinc/52/47/13/256524713.db2.gz RENKZZXKUUWTTF-UHFFFAOYSA-N 0 0 241.762 3.680 20 0 BHADRN CC(C)c1nsc(NC(C)(C)C(C)(C)C)n1 ZINC000309376289 350360477 /nfs/dbraw/zinc/36/04/77/350360477.db2.gz QVXDCVNLPQZYDP-UHFFFAOYSA-N 0 0 241.404 3.898 20 0 BHADRN CC(C)Nc1ccc2nc(C3CC3)sc2c1 ZINC000309379829 527766018 /nfs/dbraw/zinc/76/60/18/527766018.db2.gz RTGUIPOOHGNZID-UHFFFAOYSA-N 0 0 232.352 3.994 20 0 BHADRN CC(C)OCCNc1cccc2ccsc21 ZINC000309381760 167246859 /nfs/dbraw/zinc/24/68/59/167246859.db2.gz SDRORLBVJNNRHT-UHFFFAOYSA-N 0 0 235.352 3.738 20 0 BHADRN CC(C)c1nsc(NCC2CC(C)(C)C2)n1 ZINC000309381768 347044575 /nfs/dbraw/zinc/04/45/75/347044575.db2.gz SDVKTJIVMGMINK-UHFFFAOYSA-N 0 0 239.388 3.510 20 0 BHADRN CC(C)[C@@H](C)Nc1cccc2ccn(C)c21 ZINC000309382676 383919680 /nfs/dbraw/zinc/91/96/80/383919680.db2.gz SHMTVQAAUKBXPS-LLVKDONJSA-N 0 0 216.328 3.635 20 0 BHADRN CC(C)[C@H](C)Nc1cccc2ccn(C)c21 ZINC000309382677 528972062 /nfs/dbraw/zinc/97/20/62/528972062.db2.gz SHMTVQAAUKBXPS-NSHDSACASA-N 0 0 216.328 3.635 20 0 BHADRN CC(C)(C)CCCNc1nnc(C(F)F)s1 ZINC000309383796 350366873 /nfs/dbraw/zinc/36/68/73/350366873.db2.gz SLNMQXXWGMVTDC-UHFFFAOYSA-N 0 0 249.330 3.714 20 0 BHADRN CC(C)(C)OCCCNc1ccc(Cl)cc1 ZINC000309385713 491147778 /nfs/dbraw/zinc/14/77/78/491147778.db2.gz SSIKHLFGSCZVEM-UHFFFAOYSA-N 0 0 241.762 3.957 20 0 BHADRN C[C@H]1CC[C@H](Nc2cc(C3CC3)ccn2)C1 ZINC000309388321 177205177 /nfs/dbraw/zinc/20/51/77/177205177.db2.gz FIWGDVUTXJPBBW-GWCFXTLKSA-N 0 0 216.328 3.560 20 0 BHADRN C[C@H]1CC[C@@H](Nc2cc(C3CC3)ccn2)C1 ZINC000309388330 177194000 /nfs/dbraw/zinc/19/40/00/177194000.db2.gz FIWGDVUTXJPBBW-GXFFZTMASA-N 0 0 216.328 3.560 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cc(C3CC3)ccn2)C1 ZINC000309388337 176235071 /nfs/dbraw/zinc/23/50/71/176235071.db2.gz FIWGDVUTXJPBBW-MFKMUULPSA-N 0 0 216.328 3.560 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cc(C3CC3)ccn2)C1 ZINC000309388344 176214398 /nfs/dbraw/zinc/21/43/98/176214398.db2.gz FIWGDVUTXJPBBW-ZWNOBZJWSA-N 0 0 216.328 3.560 20 0 BHADRN CC(C)Nc1cccc(Cl)c1OCC(F)F ZINC000309391887 383935469 /nfs/dbraw/zinc/93/54/69/383935469.db2.gz UONPLZQSSSUDKQ-UHFFFAOYSA-N 0 0 249.688 3.804 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc2ccn(C)c2c1 ZINC000309399963 528420165 /nfs/dbraw/zinc/42/01/65/528420165.db2.gz WABOTEHQURAPSV-LLVKDONJSA-N 0 0 216.328 3.635 20 0 BHADRN CC(C)[C@H](C)Nc1ccc2ccn(C)c2c1 ZINC000309399964 383932407 /nfs/dbraw/zinc/93/24/07/383932407.db2.gz WABOTEHQURAPSV-NSHDSACASA-N 0 0 216.328 3.635 20 0 BHADRN Cc1ncn(CC2CCC(C)(C)CC2)c1C ZINC000309400376 180285495 /nfs/dbraw/zinc/28/54/95/180285495.db2.gz DKCFCIKOZQNNCD-UHFFFAOYSA-N 0 0 220.360 3.716 20 0 BHADRN CC(C)c1nccn1C[C@H]1CCC[C@@H](C)C1 ZINC000309401922 167693934 /nfs/dbraw/zinc/69/39/34/167693934.db2.gz DROJXTHCWFPXCD-OLZOCXBDSA-N 0 0 220.360 3.833 20 0 BHADRN CC(C)c1nccn1C[C@H]1CCC[C@H](C)C1 ZINC000309401924 167694227 /nfs/dbraw/zinc/69/42/27/167694227.db2.gz DROJXTHCWFPXCD-STQMWFEESA-N 0 0 220.360 3.833 20 0 BHADRN CCc1nccn1CC1CCC(C)(C)CC1 ZINC000309402705 172025455 /nfs/dbraw/zinc/02/54/55/172025455.db2.gz DVBQPZCPLDFGAM-UHFFFAOYSA-N 0 0 220.360 3.662 20 0 BHADRN CNc1cc(C)ccc1Oc1ccccc1 ZINC000309404733 383978140 /nfs/dbraw/zinc/97/81/40/383978140.db2.gz AQCHERAAGSLKPH-UHFFFAOYSA-N 0 0 213.280 3.829 20 0 BHADRN Cc1cccc(N[C@H](C)COC(C)C)c1C ZINC000309404904 383977797 /nfs/dbraw/zinc/97/77/97/383977797.db2.gz WYBVMMCCKNIZSR-GFCCVEGCSA-N 0 0 221.344 3.529 20 0 BHADRN Cc1cccc(N[C@@H](C)COC(C)C)c1C ZINC000309404906 383976797 /nfs/dbraw/zinc/97/67/97/383976797.db2.gz WYBVMMCCKNIZSR-LBPRGKRZSA-N 0 0 221.344 3.529 20 0 BHADRN COc1cccc(NCc2ccsc2C)c1 ZINC000309405840 175279355 /nfs/dbraw/zinc/27/93/55/175279355.db2.gz JOKJRGPUXWLKEZ-UHFFFAOYSA-N 0 0 233.336 3.677 20 0 BHADRN COCC1(COc2cccc(Cl)c2)CCC1 ZINC000309406443 174105979 /nfs/dbraw/zinc/10/59/79/174105979.db2.gz WALGCRYXIRKGBE-UHFFFAOYSA-N 0 0 240.730 3.536 20 0 BHADRN Cc1cc([C@@H](C)[NH2+]CCC(C)(C)C)oc1C ZINC000309406644 383976655 /nfs/dbraw/zinc/97/66/55/383976655.db2.gz IAJWJPDNLQRCPU-LLVKDONJSA-N 0 0 223.360 3.983 20 0 BHADRN Cc1cc([C@H](C)[NH2+]CCC(C)(C)C)oc1C ZINC000309406646 383977361 /nfs/dbraw/zinc/97/73/61/383977361.db2.gz IAJWJPDNLQRCPU-NSHDSACASA-N 0 0 223.360 3.983 20 0 BHADRN CNc1c(F)cccc1Oc1ccccc1 ZINC000309407176 533045486 /nfs/dbraw/zinc/04/54/86/533045486.db2.gz BBGIHGGRIRATSJ-UHFFFAOYSA-N 0 0 217.243 3.660 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H](C)COC(C)C ZINC000309407440 383976847 /nfs/dbraw/zinc/97/68/47/383976847.db2.gz XLPXHPMNHMFEGJ-LLVKDONJSA-N 0 0 241.762 3.874 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H](C)COC(C)C ZINC000309407441 383978254 /nfs/dbraw/zinc/97/82/54/383978254.db2.gz XLPXHPMNHMFEGJ-NSHDSACASA-N 0 0 241.762 3.874 20 0 BHADRN CCCc1csc(C[NH2+]C(C)(C)CCC)n1 ZINC000309409083 383978065 /nfs/dbraw/zinc/97/80/65/383978065.db2.gz BLHHQBBQZDPBIK-UHFFFAOYSA-N 0 0 240.416 3.764 20 0 BHADRN COCC1(COc2ccc(Cl)cc2)CCC1 ZINC000309409196 174106129 /nfs/dbraw/zinc/10/61/29/174106129.db2.gz WJRYJZHGXQEJTJ-UHFFFAOYSA-N 0 0 240.730 3.536 20 0 BHADRN CC[C@H](CC(F)(F)F)Nc1cccc(C)n1 ZINC000309409861 385572623 /nfs/dbraw/zinc/57/26/23/385572623.db2.gz BOCFUNSNKRXVCG-SECBINFHSA-N 0 0 232.249 3.533 20 0 BHADRN CC[C@@H](CC(F)(F)F)Nc1cccc(C)n1 ZINC000309409862 385572260 /nfs/dbraw/zinc/57/22/60/385572260.db2.gz BOCFUNSNKRXVCG-VIFPVBQESA-N 0 0 232.249 3.533 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CCNc1ccccn1 ZINC000309410399 383976912 /nfs/dbraw/zinc/97/69/12/383976912.db2.gz IMHJAGCOVJGCTG-CHWSQXEVSA-N 0 0 218.344 3.710 20 0 BHADRN C[C@@H]1CCCC[C@H]1CCNc1ccccn1 ZINC000309410402 383976550 /nfs/dbraw/zinc/97/65/50/383976550.db2.gz IMHJAGCOVJGCTG-OLZOCXBDSA-N 0 0 218.344 3.710 20 0 BHADRN C[C@H]1CCCC[C@@H]1CCNc1ccccn1 ZINC000309410405 383978559 /nfs/dbraw/zinc/97/85/59/383978559.db2.gz IMHJAGCOVJGCTG-QWHCGFSZSA-N 0 0 218.344 3.710 20 0 BHADRN C[C@H]1CCCC[C@H]1CCNc1ccccn1 ZINC000309410408 383977738 /nfs/dbraw/zinc/97/77/38/383977738.db2.gz IMHJAGCOVJGCTG-STQMWFEESA-N 0 0 218.344 3.710 20 0 BHADRN Cc1ccc2oc(NCCC(C)C)nc2c1 ZINC000309411138 383978005 /nfs/dbraw/zinc/97/80/05/383978005.db2.gz YAFCNQAFUAGXID-UHFFFAOYSA-N 0 0 218.300 3.594 20 0 BHADRN COc1ccccc1NCc1ccsc1C ZINC000309411642 175338015 /nfs/dbraw/zinc/33/80/15/175338015.db2.gz KGALMZUYWDEMBF-UHFFFAOYSA-N 0 0 233.336 3.677 20 0 BHADRN CC(C)C[C@H](C)CN[C@H](C1CC1)C(F)(F)F ZINC000309412880 386245303 /nfs/dbraw/zinc/24/53/03/386245303.db2.gz YIIJQLPFWCEGSC-GXSJLCMTSA-N 0 0 237.309 3.599 20 0 BHADRN CC(C)C[C@@H](C)CN[C@@H](C1CC1)C(F)(F)F ZINC000309412881 383977631 /nfs/dbraw/zinc/97/76/31/383977631.db2.gz YIIJQLPFWCEGSC-KOLCDFICSA-N 0 0 237.309 3.599 20 0 BHADRN CC(C)C[C@@H](C)CN[C@H](C1CC1)C(F)(F)F ZINC000309412882 383977881 /nfs/dbraw/zinc/97/78/81/383977881.db2.gz YIIJQLPFWCEGSC-MWLCHTKSSA-N 0 0 237.309 3.599 20 0 BHADRN CC(C)C[C@H](C)CN[C@@H](C1CC1)C(F)(F)F ZINC000309412884 383976719 /nfs/dbraw/zinc/97/67/19/383976719.db2.gz YIIJQLPFWCEGSC-ONGXEEELSA-N 0 0 237.309 3.599 20 0 BHADRN CCOc1ccccc1N[C@@H]1C[C@H](C)[C@H]1C ZINC000309415395 383976788 /nfs/dbraw/zinc/97/67/88/383976788.db2.gz XHALWZUSKSMUFH-DMDPSCGWSA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1ccccc1N[C@@H]1C[C@H](C)[C@@H]1C ZINC000309415397 383976439 /nfs/dbraw/zinc/97/64/39/383976439.db2.gz XHALWZUSKSMUFH-GMXVVIOVSA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1ccccc1N[C@@H]1C[C@@H](C)[C@H]1C ZINC000309415399 383978112 /nfs/dbraw/zinc/97/81/12/383978112.db2.gz XHALWZUSKSMUFH-NQBHXWOUSA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1ccccc1N[C@@H]1C[C@@H](C)[C@@H]1C ZINC000309415403 383977354 /nfs/dbraw/zinc/97/73/54/383977354.db2.gz XHALWZUSKSMUFH-NTZNESFSSA-N 0 0 219.328 3.542 20 0 BHADRN CC(C)[C@H]1C[C@@H](Nc2ccc(F)cc2)CS1 ZINC000309417572 383983572 /nfs/dbraw/zinc/98/35/72/383983572.db2.gz ZBDXTTGCLYROHN-CHWSQXEVSA-N 0 0 239.359 3.768 20 0 BHADRN CC(C)[C@@H]1C[C@@H](Nc2ccc(F)cc2)CS1 ZINC000309417573 383983390 /nfs/dbraw/zinc/98/33/90/383983390.db2.gz ZBDXTTGCLYROHN-OLZOCXBDSA-N 0 0 239.359 3.768 20 0 BHADRN CC(C)[C@H]1C[C@H](Nc2ccc(F)cc2)CS1 ZINC000309417575 383983282 /nfs/dbraw/zinc/98/32/82/383983282.db2.gz ZBDXTTGCLYROHN-QWHCGFSZSA-N 0 0 239.359 3.768 20 0 BHADRN CC(C)[C@@H]1C[C@H](Nc2ccc(F)cc2)CS1 ZINC000309417576 383983090 /nfs/dbraw/zinc/98/30/90/383983090.db2.gz ZBDXTTGCLYROHN-STQMWFEESA-N 0 0 239.359 3.768 20 0 BHADRN CCc1ccc(N[C@H]2CCC23CCC3)cc1 ZINC000309418713 529690103 /nfs/dbraw/zinc/69/01/03/529690103.db2.gz AAIUCEZVOMBVEF-AWEZNQCLSA-N 0 0 215.340 3.994 20 0 BHADRN CCc1ccc(N[C@@H]2CCC23CCC3)cc1 ZINC000309418714 383983540 /nfs/dbraw/zinc/98/35/40/383983540.db2.gz AAIUCEZVOMBVEF-CQSZACIVSA-N 0 0 215.340 3.994 20 0 BHADRN COCC[C@@H](C)Nc1cc(C)c(Cl)c(C)c1 ZINC000309418925 229577357 /nfs/dbraw/zinc/57/73/57/229577357.db2.gz DEDKPNDFAKZVDQ-LLVKDONJSA-N 0 0 241.762 3.794 20 0 BHADRN COCC[C@H](C)Nc1cc(C)c(Cl)c(C)c1 ZINC000309418929 229577441 /nfs/dbraw/zinc/57/74/41/229577441.db2.gz DEDKPNDFAKZVDQ-NSHDSACASA-N 0 0 241.762 3.794 20 0 BHADRN Cc1csc(-c2cccc(NC(C)C)c2)n1 ZINC000309419342 383983889 /nfs/dbraw/zinc/98/38/89/383983889.db2.gz ZHYFTBKSIIPXFR-UHFFFAOYSA-N 0 0 232.352 3.939 20 0 BHADRN CC(C)[C@H](N[C@H](C)CC1CCC1)C(F)(F)F ZINC000309420180 491055002 /nfs/dbraw/zinc/05/50/02/491055002.db2.gz ZLCIERBKKJPHMR-KOLCDFICSA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)[C@H](N[C@@H](C)CC1CCC1)C(F)(F)F ZINC000309420182 491148912 /nfs/dbraw/zinc/14/89/12/491148912.db2.gz ZLCIERBKKJPHMR-ONGXEEELSA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)CNc1ccccc1OC(C)(C)C ZINC000309422781 384046675 /nfs/dbraw/zinc/04/66/75/384046675.db2.gz AEIPHFMWWZQKJC-UHFFFAOYSA-N 0 0 221.344 3.932 20 0 BHADRN CNc1c(F)cc(F)cc1-c1ccccc1 ZINC000309424302 386247709 /nfs/dbraw/zinc/24/77/09/386247709.db2.gz FAWNXBLGUXHNGU-UHFFFAOYSA-N 0 0 219.234 3.674 20 0 BHADRN CCCOc1cccc(NC[C@H](F)CC)c1 ZINC000309430938 384046563 /nfs/dbraw/zinc/04/65/63/384046563.db2.gz GEYUCZIJDGYZMT-LLVKDONJSA-N 0 0 225.307 3.635 20 0 BHADRN CCCOc1cccc(NC[C@@H](F)CC)c1 ZINC000309430941 384047211 /nfs/dbraw/zinc/04/72/11/384047211.db2.gz GEYUCZIJDGYZMT-NSHDSACASA-N 0 0 225.307 3.635 20 0 BHADRN CCOC[C@@H](C)Nc1cc(C)c(Cl)c(C)c1 ZINC000309430997 384076031 /nfs/dbraw/zinc/07/60/31/384076031.db2.gz GFWRJCKLYBUTAL-LLVKDONJSA-N 0 0 241.762 3.794 20 0 BHADRN CCOC[C@H](C)Nc1cc(C)c(Cl)c(C)c1 ZINC000309431000 256525181 /nfs/dbraw/zinc/52/51/81/256525181.db2.gz GFWRJCKLYBUTAL-NSHDSACASA-N 0 0 241.762 3.794 20 0 BHADRN CCC[C@H](C)CNc1cccc(OC)c1F ZINC000309431974 633063236 /nfs/dbraw/zinc/06/32/36/633063236.db2.gz AAFUTLJZBSBCQN-JTQLQIEISA-N 0 0 225.307 3.682 20 0 BHADRN CCC[C@@H](C)CNc1cccc(OC)c1F ZINC000309431976 633063129 /nfs/dbraw/zinc/06/31/29/633063129.db2.gz AAFUTLJZBSBCQN-SNVBAGLBSA-N 0 0 225.307 3.682 20 0 BHADRN COC[C@@H](C)Nc1cccc(C(F)F)c1Cl ZINC000309434666 256525304 /nfs/dbraw/zinc/52/53/04/256525304.db2.gz GWFVRLXWLIZBFG-SSDOTTSWSA-N 0 0 249.688 3.724 20 0 BHADRN COC[C@H](C)Nc1cccc(C(F)F)c1Cl ZINC000309434667 256525201 /nfs/dbraw/zinc/52/52/01/256525201.db2.gz GWFVRLXWLIZBFG-ZETCQYMHSA-N 0 0 249.688 3.724 20 0 BHADRN CCOc1ccccc1N[C@H]1CC[C@H]1CC ZINC000309434735 384075267 /nfs/dbraw/zinc/07/52/67/384075267.db2.gz GYJVZJURCUZZOT-NEPJUHHUSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccccc1N[C@@H]1CC[C@@H]1CC ZINC000309434736 384075467 /nfs/dbraw/zinc/07/54/67/384075467.db2.gz GYJVZJURCUZZOT-NWDGAFQWSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccccc1N[C@H]1CC[C@@H]1CC ZINC000309434738 256525232 /nfs/dbraw/zinc/52/52/32/256525232.db2.gz GYJVZJURCUZZOT-RYUDHWBXSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccccc1N[C@@H]1CC[C@H]1CC ZINC000309434739 384075911 /nfs/dbraw/zinc/07/59/11/384075911.db2.gz GYJVZJURCUZZOT-VXGBXAGGSA-N 0 0 219.328 3.686 20 0 BHADRN CC[C@H](F)CN[C@H](C)c1c(F)cccc1Cl ZINC000309438649 384076003 /nfs/dbraw/zinc/07/60/03/384076003.db2.gz HWJUSHOESZQKSK-BDAKNGLRSA-N 0 0 247.716 3.878 20 0 BHADRN CC[C@@H](F)CN[C@@H](C)c1c(F)cccc1Cl ZINC000309438651 384075576 /nfs/dbraw/zinc/07/55/76/384075576.db2.gz HWJUSHOESZQKSK-DTWKUNHWSA-N 0 0 247.716 3.878 20 0 BHADRN CC[C@H](F)CN[C@@H](C)c1c(F)cccc1Cl ZINC000309438653 384075753 /nfs/dbraw/zinc/07/57/53/384075753.db2.gz HWJUSHOESZQKSK-IUCAKERBSA-N 0 0 247.716 3.878 20 0 BHADRN CC[C@@H](F)CN[C@H](C)c1c(F)cccc1Cl ZINC000309438655 384075556 /nfs/dbraw/zinc/07/55/56/384075556.db2.gz HWJUSHOESZQKSK-RKDXNWHRSA-N 0 0 247.716 3.878 20 0 BHADRN CCCOc1cccc(NCC2(C)CC2)c1 ZINC000309439205 491148286 /nfs/dbraw/zinc/14/82/86/491148286.db2.gz IBCFJJFSQSVGGB-UHFFFAOYSA-N 0 0 219.328 3.687 20 0 BHADRN C/C=C\c1ccc(N[C@@H](CC)COC)cc1 ZINC000309441026 384077540 /nfs/dbraw/zinc/07/75/40/384077540.db2.gz INTNRRCATQEION-AGLBCWCQSA-N 0 0 219.328 3.557 20 0 BHADRN C/C=C/c1ccc(N[C@@H](CC)COC)cc1 ZINC000309441027 384077835 /nfs/dbraw/zinc/07/78/35/384077835.db2.gz INTNRRCATQEION-BPJJOFIESA-N 0 0 219.328 3.557 20 0 BHADRN C/C=C/c1ccc(N[C@H](CC)COC)cc1 ZINC000309441029 384077518 /nfs/dbraw/zinc/07/75/18/384077518.db2.gz INTNRRCATQEION-DIECRNLCSA-N 0 0 219.328 3.557 20 0 BHADRN C/C=C\c1ccc(N[C@H](CC)COC)cc1 ZINC000309441030 526341859 /nfs/dbraw/zinc/34/18/59/526341859.db2.gz INTNRRCATQEION-RYWCDNDXSA-N 0 0 219.328 3.557 20 0 BHADRN Cc1sccc1CNc1cc(F)cc(F)c1 ZINC000309442229 180566642 /nfs/dbraw/zinc/56/66/42/180566642.db2.gz OIIAUPSJEKPHIO-UHFFFAOYSA-N 0 0 239.290 3.947 20 0 BHADRN CCCOc1cccc(NCCC2CC2)c1 ZINC000309444684 491148343 /nfs/dbraw/zinc/14/83/43/491148343.db2.gz JLMOBOWGQSUEBM-UHFFFAOYSA-N 0 0 219.328 3.687 20 0 BHADRN CCOC[C@@H](C)Nc1cc(SC)ccc1C ZINC000309446065 384074900 /nfs/dbraw/zinc/07/49/00/384074900.db2.gz JTUBOZREFGYAPJ-LLVKDONJSA-N 0 0 239.384 3.554 20 0 BHADRN CCOC[C@H](C)Nc1cc(SC)ccc1C ZINC000309446068 256525385 /nfs/dbraw/zinc/52/53/85/256525385.db2.gz JTUBOZREFGYAPJ-NSHDSACASA-N 0 0 239.384 3.554 20 0 BHADRN C[C@H](NCCCC1CCCCC1)C(F)(F)F ZINC000309446309 384073845 /nfs/dbraw/zinc/07/38/45/384073845.db2.gz LLOPGQHNKIHFOH-JTQLQIEISA-N 0 0 237.309 3.887 20 0 BHADRN C[C@@H](NCCCC1CCCCC1)C(F)(F)F ZINC000309446310 256525190 /nfs/dbraw/zinc/52/51/90/256525190.db2.gz LLOPGQHNKIHFOH-SNVBAGLBSA-N 0 0 237.309 3.887 20 0 BHADRN Cc1cc(C)n(CC2CCC(C)(C)CC2)n1 ZINC000309446529 177925360 /nfs/dbraw/zinc/92/53/60/177925360.db2.gz NCFPWSJBPCECJP-UHFFFAOYSA-N 0 0 220.360 3.716 20 0 BHADRN CC[C@H](COC)Nc1cc(SC)ccc1C ZINC000309449299 529399416 /nfs/dbraw/zinc/39/94/16/529399416.db2.gz KSCDWKCWRNCLDI-LLVKDONJSA-N 0 0 239.384 3.554 20 0 BHADRN CC[C@@H](COC)Nc1cc(SC)ccc1C ZINC000309449300 529520776 /nfs/dbraw/zinc/52/07/76/529520776.db2.gz KSCDWKCWRNCLDI-NSHDSACASA-N 0 0 239.384 3.554 20 0 BHADRN COC1CC(Nc2cc(C)c(Cl)c(C)c2)C1 ZINC000309450709 384077896 /nfs/dbraw/zinc/07/78/96/384077896.db2.gz LALHVJYEIIPGMX-UHFFFAOYSA-N 0 0 239.746 3.546 20 0 BHADRN CCCC(CCC)N[C@H](C1CC1)C(F)(F)F ZINC000309450711 384077547 /nfs/dbraw/zinc/07/75/47/384077547.db2.gz LALOJCMUZUWJOF-LLVKDONJSA-N 0 0 237.309 3.886 20 0 BHADRN CCCC(CCC)N[C@@H](C1CC1)C(F)(F)F ZINC000309450712 384079269 /nfs/dbraw/zinc/07/92/69/384079269.db2.gz LALOJCMUZUWJOF-NSHDSACASA-N 0 0 237.309 3.886 20 0 BHADRN CC[C@@H](Nc1nc(C2CC2)ns1)C(C)(C)C ZINC000309451256 170916592 /nfs/dbraw/zinc/91/65/92/170916592.db2.gz LFLKRFRNBUATSY-SECBINFHSA-N 0 0 239.388 3.652 20 0 BHADRN CC[C@H](Nc1nc(C2CC2)ns1)C(C)(C)C ZINC000309451257 384162187 /nfs/dbraw/zinc/16/21/87/384162187.db2.gz LFLKRFRNBUATSY-VIFPVBQESA-N 0 0 239.388 3.652 20 0 BHADRN CCCOc1cccc(NCCCCF)c1 ZINC000309453794 384085587 /nfs/dbraw/zinc/08/55/87/384085587.db2.gz LVLODFAYSVBGSG-UHFFFAOYSA-N 0 0 225.307 3.637 20 0 BHADRN C[C@@H]1CC[C@H]1N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000309454061 633923125 /nfs/dbraw/zinc/92/31/25/633923125.db2.gz NFRPGSBICXDQOC-BBBLOLIVSA-N 0 0 237.309 3.742 20 0 BHADRN C[C@@H]1CC[C@@H]1N[C@H](CC(C)(C)C)C(F)(F)F ZINC000309454062 633086383 /nfs/dbraw/zinc/08/63/83/633086383.db2.gz NFRPGSBICXDQOC-KXUCPTDWSA-N 0 0 237.309 3.742 20 0 BHADRN C[C@@H]1CC[C@H]1N[C@H](CC(C)(C)C)C(F)(F)F ZINC000309454064 632100360 /nfs/dbraw/zinc/10/03/60/632100360.db2.gz NFRPGSBICXDQOC-OPRDCNLKSA-N 0 0 237.309 3.742 20 0 BHADRN C[C@@H]1CC[C@@H]1N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000309454065 633086335 /nfs/dbraw/zinc/08/63/35/633086335.db2.gz NFRPGSBICXDQOC-UTLUCORTSA-N 0 0 237.309 3.742 20 0 BHADRN CCCOc1ccc(NCC2(C)CC2)cc1 ZINC000309454766 633087337 /nfs/dbraw/zinc/08/73/37/633087337.db2.gz LZXDXOWBMVXCEA-UHFFFAOYSA-N 0 0 219.328 3.687 20 0 BHADRN CCOc1ccc(NCC=C(C)C)c(C)c1 ZINC000309455788 633921622 /nfs/dbraw/zinc/92/16/22/633921622.db2.gz MHCAEUPLXIPEEB-UHFFFAOYSA-N 0 0 219.328 3.772 20 0 BHADRN CC(C)c1nccn1CC1CCC(C)CC1 ZINC000309456206 358708752 /nfs/dbraw/zinc/70/87/52/358708752.db2.gz PORBXDDQFWHCNV-UHFFFAOYSA-N 0 0 220.360 3.833 20 0 BHADRN CCOc1ccc(NC[C@H]2C[C@H]2C)cc1Cl ZINC000309457157 633089311 /nfs/dbraw/zinc/08/93/11/633089311.db2.gz MUWVBGMDVUQJSC-NXEZZACHSA-N 0 0 239.746 3.807 20 0 BHADRN CCOc1ccc(NC[C@@H]2C[C@@H]2C)cc1Cl ZINC000309457159 633089156 /nfs/dbraw/zinc/08/91/56/633089156.db2.gz MUWVBGMDVUQJSC-UWVGGRQHSA-N 0 0 239.746 3.807 20 0 BHADRN CCOc1ccc(NC[C@H]2C[C@@H]2C)cc1Cl ZINC000309457161 633089122 /nfs/dbraw/zinc/08/91/22/633089122.db2.gz MUWVBGMDVUQJSC-VHSXEESVSA-N 0 0 239.746 3.807 20 0 BHADRN CCOc1ccc(NC[C@@H]2C[C@H]2C)cc1Cl ZINC000309457163 633089565 /nfs/dbraw/zinc/08/95/65/633089565.db2.gz MUWVBGMDVUQJSC-ZJUUUORDSA-N 0 0 239.746 3.807 20 0 BHADRN CC[C@H](C)C[C@H](C)Nc1nnc(C(F)F)s1 ZINC000309457388 171298826 /nfs/dbraw/zinc/29/88/26/171298826.db2.gz STMAGXZQJVIPQM-BQBZGAKWSA-N 0 0 249.330 3.712 20 0 BHADRN CC[C@H](C)C[C@@H](C)Nc1nnc(C(F)F)s1 ZINC000309457390 171295424 /nfs/dbraw/zinc/29/54/24/171295424.db2.gz STMAGXZQJVIPQM-NKWVEPMBSA-N 0 0 249.330 3.712 20 0 BHADRN CC[C@@H](C)C[C@@H](C)Nc1nnc(C(F)F)s1 ZINC000309457391 385590034 /nfs/dbraw/zinc/59/00/34/385590034.db2.gz STMAGXZQJVIPQM-RNFRBKRXSA-N 0 0 249.330 3.712 20 0 BHADRN CC[C@@H](C)C[C@H](C)Nc1nnc(C(F)F)s1 ZINC000309457392 385590274 /nfs/dbraw/zinc/59/02/74/385590274.db2.gz STMAGXZQJVIPQM-RQJHMYQMSA-N 0 0 249.330 3.712 20 0 BHADRN C/C=C/c1ccc(N[C@@H](C)CCOC)cc1 ZINC000309459092 384089617 /nfs/dbraw/zinc/08/96/17/384089617.db2.gz NJAUPXGYEJSVNO-ITKZLYELSA-N 0 0 219.328 3.557 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)CCOC)cc1 ZINC000309459094 526341644 /nfs/dbraw/zinc/34/16/44/526341644.db2.gz NJAUPXGYEJSVNO-QMAVJUDZSA-N 0 0 219.328 3.557 20 0 BHADRN C/C=C\c1ccc(N[C@@H](C)CCOC)cc1 ZINC000309459096 384087522 /nfs/dbraw/zinc/08/75/22/384087522.db2.gz NJAUPXGYEJSVNO-RXNFCKPNSA-N 0 0 219.328 3.557 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)CCOC)cc1 ZINC000309459098 384089634 /nfs/dbraw/zinc/08/96/34/384089634.db2.gz NJAUPXGYEJSVNO-ZYOFXKKJSA-N 0 0 219.328 3.557 20 0 BHADRN CCCCC[C@@H](C)Nc1nnc(C(F)F)s1 ZINC000309461226 633094817 /nfs/dbraw/zinc/09/48/17/633094817.db2.gz UOZOGXOASJMUBN-SSDOTTSWSA-N 0 0 249.330 3.856 20 0 BHADRN CCCCC[C@H](C)Nc1nnc(C(F)F)s1 ZINC000309461227 632100295 /nfs/dbraw/zinc/10/02/95/632100295.db2.gz UOZOGXOASJMUBN-ZETCQYMHSA-N 0 0 249.330 3.856 20 0 BHADRN CC[C@@](C)(NCC1CCCCC1)C(F)(F)F ZINC000309462160 387803160 /nfs/dbraw/zinc/80/31/60/387803160.db2.gz OFNOJXUWUKBESB-LLVKDONJSA-N 0 0 237.309 3.887 20 0 BHADRN CC[C@](C)(NCC1CCCCC1)C(F)(F)F ZINC000309462162 323412604 /nfs/dbraw/zinc/41/26/04/323412604.db2.gz OFNOJXUWUKBESB-NSHDSACASA-N 0 0 237.309 3.887 20 0 BHADRN CCc1ccc([C@@H](C)NC2(C(F)F)CC2)s1 ZINC000309463100 384089206 /nfs/dbraw/zinc/08/92/06/384089206.db2.gz OMQQKJCLPQLDSD-MRVPVSSYSA-N 0 0 245.338 3.759 20 0 BHADRN CCc1ccc([C@H](C)NC2(C(F)F)CC2)s1 ZINC000309463101 384088576 /nfs/dbraw/zinc/08/85/76/384088576.db2.gz OMQQKJCLPQLDSD-QMMMGPOBSA-N 0 0 245.338 3.759 20 0 BHADRN CC[C@H](NC1CCC(C)(C)CC1)C(F)(F)F ZINC000309466961 384092002 /nfs/dbraw/zinc/09/20/02/384092002.db2.gz PPEJXXGAZYSZKE-JTQLQIEISA-N 0 0 237.309 3.886 20 0 BHADRN CCCOc1cccc(NCCSCC)c1 ZINC000309473911 384092265 /nfs/dbraw/zinc/09/22/65/384092265.db2.gz RIZMAUKECACZBH-UHFFFAOYSA-N 0 0 239.384 3.640 20 0 BHADRN CC[C@](C)([NH2+]CC1(C)CCC1)c1nccs1 ZINC000309476865 385602298 /nfs/dbraw/zinc/60/22/98/385602298.db2.gz RYKSSZGAFOPZSH-ZDUSSCGKSA-N 0 0 238.400 3.548 20 0 BHADRN Fc1ccc(N[C@@H]2CCSC2)cc1C1CC1 ZINC000309477792 384090903 /nfs/dbraw/zinc/09/09/03/384090903.db2.gz CLDRISRXQOUDPY-LLVKDONJSA-N 0 0 237.343 3.621 20 0 BHADRN Fc1ccc(N[C@H]2CCSC2)cc1C1CC1 ZINC000309477795 534483256 /nfs/dbraw/zinc/48/32/56/534483256.db2.gz CLDRISRXQOUDPY-NSHDSACASA-N 0 0 237.343 3.621 20 0 BHADRN CCCc1nccn1C[C@@H]1CCC[C@@H](C)C1 ZINC000309478524 385606370 /nfs/dbraw/zinc/60/63/70/385606370.db2.gz WCKVPGBCCXSBNB-CHWSQXEVSA-N 0 0 220.360 3.662 20 0 BHADRN CCCc1nccn1C[C@H]1CCC[C@@H](C)C1 ZINC000309478525 385605858 /nfs/dbraw/zinc/60/58/58/385605858.db2.gz WCKVPGBCCXSBNB-OLZOCXBDSA-N 0 0 220.360 3.662 20 0 BHADRN CCCc1nccn1C[C@@H]1CCC[C@H](C)C1 ZINC000309478526 385605432 /nfs/dbraw/zinc/60/54/32/385605432.db2.gz WCKVPGBCCXSBNB-QWHCGFSZSA-N 0 0 220.360 3.662 20 0 BHADRN CCCc1nccn1C[C@H]1CCC[C@H](C)C1 ZINC000309478527 385605296 /nfs/dbraw/zinc/60/52/96/385605296.db2.gz WCKVPGBCCXSBNB-STQMWFEESA-N 0 0 220.360 3.662 20 0 BHADRN Fc1ccccc1NC1CCC2(CC2)CC1 ZINC000309479510 384094400 /nfs/dbraw/zinc/09/44/00/384094400.db2.gz DCIPSDIAHVKZEG-UHFFFAOYSA-N 0 0 219.303 3.960 20 0 BHADRN CCCOc1cccc(NC[C@@H]2C[C@H]2C)c1 ZINC000309479737 384094409 /nfs/dbraw/zinc/09/44/09/384094409.db2.gz STTZGGMNHMDACV-NEPJUHHUSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1cccc(NC[C@H]2C[C@@H]2C)c1 ZINC000309479739 384094794 /nfs/dbraw/zinc/09/47/94/384094794.db2.gz STTZGGMNHMDACV-NWDGAFQWSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1cccc(NC[C@@H]2C[C@@H]2C)c1 ZINC000309479741 384091951 /nfs/dbraw/zinc/09/19/51/384091951.db2.gz STTZGGMNHMDACV-RYUDHWBXSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1cccc(NC[C@H]2C[C@H]2C)c1 ZINC000309479743 384092338 /nfs/dbraw/zinc/09/23/38/384092338.db2.gz STTZGGMNHMDACV-VXGBXAGGSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1ccccc1N[C@H]1CC[C@H]1C ZINC000309480014 633146353 /nfs/dbraw/zinc/14/63/53/633146353.db2.gz ZDZJRRYWACVNJT-NEPJUHHUSA-N 0 0 219.328 3.686 20 0 BHADRN CCCOc1ccccc1N[C@@H]1CC[C@@H]1C ZINC000309480016 633925783 /nfs/dbraw/zinc/92/57/83/633925783.db2.gz ZDZJRRYWACVNJT-NWDGAFQWSA-N 0 0 219.328 3.686 20 0 BHADRN CCCOc1ccccc1N[C@H]1CC[C@@H]1C ZINC000309480018 633147775 /nfs/dbraw/zinc/14/77/75/633147775.db2.gz ZDZJRRYWACVNJT-RYUDHWBXSA-N 0 0 219.328 3.686 20 0 BHADRN CCCOc1ccccc1N[C@@H]1CC[C@H]1C ZINC000309480020 633147792 /nfs/dbraw/zinc/14/77/92/633147792.db2.gz ZDZJRRYWACVNJT-VXGBXAGGSA-N 0 0 219.328 3.686 20 0 BHADRN CCC[C@@H](C)Nc1cnn([C@H](C)CC)c1C ZINC000309480243 528900689 /nfs/dbraw/zinc/90/06/89/528900689.db2.gz SXHGBCURQGAPAV-GHMZBOCLSA-N 0 0 223.364 3.763 20 0 BHADRN CCC[C@@H](C)Nc1cnn([C@@H](C)CC)c1C ZINC000309480244 528900515 /nfs/dbraw/zinc/90/05/15/528900515.db2.gz SXHGBCURQGAPAV-MNOVXSKESA-N 0 0 223.364 3.763 20 0 BHADRN CCC[C@H](C)Nc1cnn([C@@H](C)CC)c1C ZINC000309480245 384093790 /nfs/dbraw/zinc/09/37/90/384093790.db2.gz SXHGBCURQGAPAV-QWRGUYRKSA-N 0 0 223.364 3.763 20 0 BHADRN CCC[C@H](C)Nc1cnn([C@H](C)CC)c1C ZINC000309480246 384094977 /nfs/dbraw/zinc/09/49/77/384094977.db2.gz SXHGBCURQGAPAV-WDEREUQCSA-N 0 0 223.364 3.763 20 0 BHADRN CC1(C)CC[C@H]1Nc1nccc2sccc21 ZINC000309480979 632416771 /nfs/dbraw/zinc/41/67/71/632416771.db2.gz ZJYZRAJVBFLCHC-LLVKDONJSA-N 0 0 232.352 3.897 20 0 BHADRN CC1(C)CC[C@@H]1Nc1nccc2sccc21 ZINC000309480980 632415944 /nfs/dbraw/zinc/41/59/44/632415944.db2.gz ZJYZRAJVBFLCHC-NSHDSACASA-N 0 0 232.352 3.897 20 0 BHADRN CCOc1ccccc1NC1CC(CC)C1 ZINC000309482665 322905057 /nfs/dbraw/zinc/90/50/57/322905057.db2.gz UFXCZQVLOYXQTF-UHFFFAOYSA-N 0 0 219.328 3.686 20 0 BHADRN CCOC[C@H](C)Nc1ccc(CC)c(Cl)c1 ZINC000309482699 384097828 /nfs/dbraw/zinc/09/78/28/384097828.db2.gz UGQKDWOORZWWMI-JTQLQIEISA-N 0 0 241.762 3.739 20 0 BHADRN CCOC[C@@H](C)Nc1ccc(CC)c(Cl)c1 ZINC000309482700 259313757 /nfs/dbraw/zinc/31/37/57/259313757.db2.gz UGQKDWOORZWWMI-SNVBAGLBSA-N 0 0 241.762 3.739 20 0 BHADRN CC[C@@H](Nc1nc(C(C)C)ns1)C(C)(C)C ZINC000309483599 323415353 /nfs/dbraw/zinc/41/53/53/323415353.db2.gz ULUDCNITJKSTAM-SECBINFHSA-N 0 0 241.404 3.898 20 0 BHADRN CC[C@H](Nc1nc(C(C)C)ns1)C(C)(C)C ZINC000309483600 323415010 /nfs/dbraw/zinc/41/50/10/323415010.db2.gz ULUDCNITJKSTAM-VIFPVBQESA-N 0 0 241.404 3.898 20 0 BHADRN CCC(CC)Nc1ccc(F)cc1C(C)=O ZINC000309483665 633927575 /nfs/dbraw/zinc/92/75/75/633927575.db2.gz UNRQXQZSVKGGLF-UHFFFAOYSA-N 0 0 223.291 3.629 20 0 BHADRN FCCCCCNc1ccc2ccoc2c1 ZINC000309483825 385610604 /nfs/dbraw/zinc/61/06/04/385610604.db2.gz FNOPNHRMWLXLAZ-UHFFFAOYSA-N 0 0 221.275 3.985 20 0 BHADRN CCc1cccc(C)c1NCCC(F)(F)F ZINC000309485964 385613038 /nfs/dbraw/zinc/61/30/38/385613038.db2.gz VKKGMOUIOUZGMX-UHFFFAOYSA-N 0 0 231.261 3.922 20 0 BHADRN CCOc1ccc(N[C@H](C)C2CCC2)cc1 ZINC000309487159 632418436 /nfs/dbraw/zinc/41/84/36/632418436.db2.gz VTXIBJMPEPYQOV-LLVKDONJSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccc(N[C@@H](C)C2CCC2)cc1 ZINC000309487160 632419330 /nfs/dbraw/zinc/41/93/30/632419330.db2.gz VTXIBJMPEPYQOV-NSHDSACASA-N 0 0 219.328 3.686 20 0 BHADRN CC[C@H](NC1C[C@H](C)C[C@@H](C)C1)C(F)(F)F ZINC000309488030 384099151 /nfs/dbraw/zinc/09/91/51/384099151.db2.gz WDBANLUBHKCVSR-KKZNHRDASA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](NC1C[C@@H](C)C[C@H](C)C1)C(F)(F)F ZINC000309488031 384099120 /nfs/dbraw/zinc/09/91/20/384099120.db2.gz WDBANLUBHKCVSR-QXEWZRGKSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@H]1C[C@H](C)C[C@H](C)C1)C(F)(F)F ZINC000309488032 384099144 /nfs/dbraw/zinc/09/91/44/384099144.db2.gz WDBANLUBHKCVSR-ZDCRXTMVSA-N 0 0 237.309 3.742 20 0 BHADRN CCCOc1ccccc1NC[C@@H]1C[C@H]1C ZINC000309488835 259313763 /nfs/dbraw/zinc/31/37/63/259313763.db2.gz WKFUTGFVCFJQEP-NEPJUHHUSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1ccccc1NC[C@H]1C[C@@H]1C ZINC000309488837 259313925 /nfs/dbraw/zinc/31/39/25/259313925.db2.gz WKFUTGFVCFJQEP-NWDGAFQWSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1ccccc1NC[C@@H]1C[C@@H]1C ZINC000309488925 259313883 /nfs/dbraw/zinc/31/38/83/259313883.db2.gz WKFUTGFVCFJQEP-RYUDHWBXSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1ccccc1NC[C@H]1C[C@H]1C ZINC000309488929 259313869 /nfs/dbraw/zinc/31/38/69/259313869.db2.gz WKFUTGFVCFJQEP-VXGBXAGGSA-N 0 0 219.328 3.543 20 0 BHADRN Clc1ccc(NCC2(C3CC3)CCC2)nc1 ZINC000309489494 180582503 /nfs/dbraw/zinc/58/25/03/180582503.db2.gz HWSNPJAKXOKMDC-UHFFFAOYSA-N 0 0 236.746 3.727 20 0 BHADRN CCC(CC)CNC(=O)C(C)(C)C(C)(C)C ZINC000309490573 411499318 /nfs/dbraw/zinc/49/93/18/411499318.db2.gz IJWZXYXTEQWHJK-UHFFFAOYSA-N 0 0 227.392 3.611 20 0 BHADRN CNc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000309492543 384096646 /nfs/dbraw/zinc/09/66/46/384096646.db2.gz XNYKXSIFDLKLRF-UHFFFAOYSA-N 0 0 219.234 3.674 20 0 BHADRN Clc1cnccc1NCC1(C2CC2)CCC1 ZINC000309493544 385616590 /nfs/dbraw/zinc/61/65/90/385616590.db2.gz JKLWRMUXAGQPQX-UHFFFAOYSA-N 0 0 236.746 3.727 20 0 BHADRN CC[C@H](NC1CCC(CC)CC1)C(F)(F)F ZINC000309494839 384098589 /nfs/dbraw/zinc/09/85/89/384098589.db2.gz YDGNBWFPXGTEKO-ILDUYXDCSA-N 0 0 237.309 3.886 20 0 BHADRN CC1(C)CC(Nc2ccc3ncsc3c2)C1 ZINC000309495584 384099076 /nfs/dbraw/zinc/09/90/76/384099076.db2.gz TVSHSPLCGAGBDB-UHFFFAOYSA-N 0 0 232.352 3.897 20 0 BHADRN CCC(CC)Nc1cc(F)cc(F)c1OC ZINC000309495975 384098953 /nfs/dbraw/zinc/09/89/53/384098953.db2.gz 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ZINC000309517454 384116421 /nfs/dbraw/zinc/11/64/21/384116421.db2.gz ZBVJPJSNKWDQFX-NXEZZACHSA-N 0 0 232.352 3.897 20 0 BHADRN C[C@H]1CC[C@H](Nc2ccc3scnc3c2)C1 ZINC000309517456 384116897 /nfs/dbraw/zinc/11/68/97/384116897.db2.gz ZBVJPJSNKWDQFX-UWVGGRQHSA-N 0 0 232.352 3.897 20 0 BHADRN C[C@H]1CC[C@@H](Nc2ccc3scnc3c2)C1 ZINC000309517459 384117198 /nfs/dbraw/zinc/11/71/98/384117198.db2.gz ZBVJPJSNKWDQFX-VHSXEESVSA-N 0 0 232.352 3.897 20 0 BHADRN C[C@@H]1CC[C@H](Nc2ccc3scnc3c2)C1 ZINC000309517462 384117541 /nfs/dbraw/zinc/11/75/41/384117541.db2.gz ZBVJPJSNKWDQFX-ZJUUUORDSA-N 0 0 232.352 3.897 20 0 BHADRN Clc1cccnc1NCC1(C2CC2)CCC1 ZINC000309518022 385651660 /nfs/dbraw/zinc/65/16/60/385651660.db2.gz ANOSCQGQBYHBCL-UHFFFAOYSA-N 0 0 236.746 3.727 20 0 BHADRN Fc1cc(Cl)cc(NC2CC(C(F)F)C2)c1 ZINC000309518985 491056360 /nfs/dbraw/zinc/05/63/60/491056360.db2.gz AVGBPWODVQVOMC-UHFFFAOYSA-N 0 0 249.663 3.935 20 0 BHADRN FC1(F)CCC[C@@H](Nc2cccc(Cl)n2)C1 ZINC000309519652 633187464 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RFOKJBPZMGEPDL-JOYOIKCWSA-N 0 0 239.746 3.949 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc(Cl)c(OC)c1 ZINC000309712368 388462043 /nfs/dbraw/zinc/46/20/43/388462043.db2.gz RFOKJBPZMGEPDL-SKDRFNHKSA-N 0 0 239.746 3.949 20 0 BHADRN Cc1nc(CNc2cccc(C)c2)c(C)s1 ZINC000309712391 179151983 /nfs/dbraw/zinc/15/19/83/179151983.db2.gz RGPVZJJYNYDEEF-UHFFFAOYSA-N 0 0 232.352 3.680 20 0 BHADRN Cc1ccc(CNC(C)(C)C(F)F)cc1Cl ZINC000309713143 491154812 /nfs/dbraw/zinc/15/48/12/491154812.db2.gz ROHOAOWKONWBGR-UHFFFAOYSA-N 0 0 247.716 3.782 20 0 BHADRN Cc1ccc2c(c1)CC[C@H]2Nc1nccs1 ZINC000309713177 632656244 /nfs/dbraw/zinc/65/62/44/632656244.db2.gz RPNFNWHCTBCZHU-GFCCVEGCSA-N 0 0 230.336 3.551 20 0 BHADRN Cc1ccc2c(c1)CC[C@@H]2Nc1nccs1 ZINC000309713178 632655306 /nfs/dbraw/zinc/65/53/06/632655306.db2.gz RPNFNWHCTBCZHU-LBPRGKRZSA-N 0 0 230.336 3.551 20 0 BHADRN Cc1ccsc1CNC1(C(F)F)CCCC1 ZINC000309713218 491154810 /nfs/dbraw/zinc/15/48/10/491154810.db2.gz RQQPEVGJCRDSMP-UHFFFAOYSA-N 0 0 245.338 3.724 20 0 BHADRN Cc1nc(CNc2ccccc2F)c(C)s1 ZINC000309714896 179976143 /nfs/dbraw/zinc/97/61/43/179976143.db2.gz SLVAAYDOJCMRFX-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN Cc1cccc2nc(NCCCCF)sc21 ZINC000309716007 388462029 /nfs/dbraw/zinc/46/20/29/388462029.db2.gz SVRGXAAAXWQRGO-UHFFFAOYSA-N 0 0 238.331 3.766 20 0 BHADRN CCCCCNc1ccc2ccn(C)c2c1 ZINC000309716251 384217764 /nfs/dbraw/zinc/21/77/64/384217764.db2.gz TUZVJFYKIMLSJU-UHFFFAOYSA-N 0 0 216.328 3.780 20 0 BHADRN Cc1cc(F)ccc1N[C@@H]1CCC12CCC2 ZINC000309716921 386314626 /nfs/dbraw/zinc/31/46/26/386314626.db2.gz UEHOHJGBPXSTER-CYBMUJFWSA-N 0 0 219.303 3.879 20 0 BHADRN Cc1cc(F)ccc1N[C@H]1CCC12CCC2 ZINC000309716922 388462535 /nfs/dbraw/zinc/46/25/35/388462535.db2.gz UEHOHJGBPXSTER-ZDUSSCGKSA-N 0 0 219.303 3.879 20 0 BHADRN Cc1cccc(N[C@@H]2CCC23CCC3)c1F ZINC000309716925 388462321 /nfs/dbraw/zinc/46/23/21/388462321.db2.gz UEJCCWQRYZGZSY-GFCCVEGCSA-N 0 0 219.303 3.879 20 0 BHADRN Cc1cccc(N[C@H]2CCC23CCC3)c1F ZINC000309716926 388461974 /nfs/dbraw/zinc/46/19/74/388461974.db2.gz UEJCCWQRYZGZSY-LBPRGKRZSA-N 0 0 219.303 3.879 20 0 BHADRN Cc1cc(F)cc(N[C@@H]2CCC23CCC3)c1 ZINC000309717889 229463468 /nfs/dbraw/zinc/46/34/68/229463468.db2.gz UQTZXKDSPIBWEM-CYBMUJFWSA-N 0 0 219.303 3.879 20 0 BHADRN Cc1cc(F)cc(N[C@H]2CCC23CCC3)c1 ZINC000309717890 388462303 /nfs/dbraw/zinc/46/23/03/388462303.db2.gz UQTZXKDSPIBWEM-ZDUSSCGKSA-N 0 0 219.303 3.879 20 0 BHADRN CC[C@@H](F)CNc1cccc2ccccc21 ZINC000309718633 388461954 /nfs/dbraw/zinc/46/19/54/388461954.db2.gz VAODLVDFQHCTAE-GFCCVEGCSA-N 0 0 217.287 4.000 20 0 BHADRN CC[C@H](F)CNc1cccc2ccccc21 ZINC000309718634 529439282 /nfs/dbraw/zinc/43/92/82/529439282.db2.gz VAODLVDFQHCTAE-LBPRGKRZSA-N 0 0 217.287 4.000 20 0 BHADRN CC1(CNc2ccc3ncsc3c2)CCC1 ZINC000309719303 491154935 /nfs/dbraw/zinc/15/49/35/491154935.db2.gz BHQKFEDLPZLCRR-UHFFFAOYSA-N 0 0 232.352 3.898 20 0 BHADRN Cc1cccc(Cl)c1NCCOC1CCC1 ZINC000309722149 179107496 /nfs/dbraw/zinc/10/74/96/179107496.db2.gz WIENLXGQYNMGET-UHFFFAOYSA-N 0 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ZINC000309725157 388462967 /nfs/dbraw/zinc/46/29/67/388462967.db2.gz XNXJDEMINDKLMA-UHFFFAOYSA-N 0 0 238.693 3.578 20 0 BHADRN Cc1cccc(N[C@H]2CC[C@@H]2C2CC2)c1F ZINC000309725182 491155053 /nfs/dbraw/zinc/15/50/53/491155053.db2.gz XPESSCRSKBIRPH-NEPJUHHUSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cccc(N[C@@H]2CC[C@H]2C2CC2)c1F ZINC000309725183 491155082 /nfs/dbraw/zinc/15/50/82/491155082.db2.gz XPESSCRSKBIRPH-NWDGAFQWSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cccc(N[C@H]2CC[C@H]2C2CC2)c1F ZINC000309725184 491155099 /nfs/dbraw/zinc/15/50/99/491155099.db2.gz XPESSCRSKBIRPH-RYUDHWBXSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cccc(N[C@@H]2CC[C@@H]2C2CC2)c1F ZINC000309725185 491155109 /nfs/dbraw/zinc/15/51/09/491155109.db2.gz XPESSCRSKBIRPH-VXGBXAGGSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cnc(NCc2c(C)cccc2F)s1 ZINC000309725561 633232117 /nfs/dbraw/zinc/23/21/17/633232117.db2.gz XSXGOTKCNGKHDR-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN C[C@@H](CC1CC1)Nc1cc(C2CC2)ccn1 ZINC000309728010 384559351 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ZKCTXHPRJJNABE-OCCSQVGLSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cc(F)ccc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000309729827 491155137 /nfs/dbraw/zinc/15/51/37/491155137.db2.gz ZKCTXHPRJJNABE-TZMCWYRMSA-N 0 0 219.303 3.735 20 0 BHADRN CCCC[C@H](C)Nc1cccc(OC)c1F ZINC000309730184 632661641 /nfs/dbraw/zinc/66/16/41/632661641.db2.gz ZNJPUBAMFDWLPX-JTQLQIEISA-N 0 0 225.307 3.825 20 0 BHADRN CCCC[C@@H](C)Nc1cccc(OC)c1F ZINC000309730185 632660789 /nfs/dbraw/zinc/66/07/89/632660789.db2.gz ZNJPUBAMFDWLPX-SNVBAGLBSA-N 0 0 225.307 3.825 20 0 BHADRN CC[C@@H](Nc1cscc1C)C1CCOCC1 ZINC000309730280 326165746 /nfs/dbraw/zinc/16/57/46/326165746.db2.gz ZQCFPDQUJOBNGR-GFCCVEGCSA-N 0 0 239.384 3.674 20 0 BHADRN CC[C@H](Nc1cscc1C)C1CCOCC1 ZINC000309730283 326165831 /nfs/dbraw/zinc/16/58/31/326165831.db2.gz ZQCFPDQUJOBNGR-LBPRGKRZSA-N 0 0 239.384 3.674 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccc2scnc2c1 ZINC000309731015 384358458 /nfs/dbraw/zinc/35/84/58/384358458.db2.gz ZYJLXGNORGRVHA-GXSJLCMTSA-N 0 0 232.352 3.897 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc2scnc2c1 ZINC000309731016 384357018 /nfs/dbraw/zinc/35/70/18/384357018.db2.gz ZYJLXGNORGRVHA-KOLCDFICSA-N 0 0 232.352 3.897 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc2scnc2c1 ZINC000309731017 322910830 /nfs/dbraw/zinc/91/08/30/322910830.db2.gz ZYJLXGNORGRVHA-MWLCHTKSSA-N 0 0 232.352 3.897 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccc2scnc2c1 ZINC000309731018 384357697 /nfs/dbraw/zinc/35/76/97/384357697.db2.gz ZYJLXGNORGRVHA-ONGXEEELSA-N 0 0 232.352 3.897 20 0 BHADRN Cc1ccnc([C@@H](C)Nc2ccccc2)c1 ZINC000309733330 487722847 /nfs/dbraw/zinc/72/28/47/487722847.db2.gz BQIFUZBAEIGRCY-GFCCVEGCSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1ccnc([C@H](C)Nc2ccccc2)c1 ZINC000309733332 179469213 /nfs/dbraw/zinc/46/92/13/179469213.db2.gz BQIFUZBAEIGRCY-LBPRGKRZSA-N 0 0 212.296 3.563 20 0 BHADRN Cc1cscc1N[C@@H](C)c1cccc(O)c1 ZINC000309735309 384573574 /nfs/dbraw/zinc/57/35/74/384573574.db2.gz CFPGLHKFWGVDIR-JTQLQIEISA-N 0 0 233.336 3.935 20 0 BHADRN Cc1cscc1N[C@H](C)c1cccc(O)c1 ZINC000309735311 384571122 /nfs/dbraw/zinc/57/11/22/384571122.db2.gz CFPGLHKFWGVDIR-SNVBAGLBSA-N 0 0 233.336 3.935 20 0 BHADRN COc1ccc(C)cc1NCC1(C)CCC1 ZINC000309737505 491155293 /nfs/dbraw/zinc/15/52/93/491155293.db2.gz GUYJHDJFGLAAEE-UHFFFAOYSA-N 0 0 219.328 3.606 20 0 BHADRN CC1(CNc2ccccc2OC(F)F)CC1 ZINC000309738563 370251847 /nfs/dbraw/zinc/25/18/47/370251847.db2.gz CVAMJKGCDKBMQT-UHFFFAOYSA-N 0 0 227.254 3.500 20 0 BHADRN C[C@H](CCCC(F)(F)F)Nc1ccccn1 ZINC000309741534 176618023 /nfs/dbraw/zinc/61/80/23/176618023.db2.gz HUMSPYSFBBITBL-SECBINFHSA-N 0 0 232.249 3.615 20 0 BHADRN C[C@@H](CCCC(F)(F)F)Nc1ccccn1 ZINC000309741535 384569019 /nfs/dbraw/zinc/56/90/19/384569019.db2.gz HUMSPYSFBBITBL-VIFPVBQESA-N 0 0 232.249 3.615 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000309742729 388463341 /nfs/dbraw/zinc/46/33/41/388463341.db2.gz DRODCPQBHOSVKM-GHMZBOCLSA-N 0 0 239.746 3.567 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000309742730 388463075 /nfs/dbraw/zinc/46/30/75/388463075.db2.gz 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216.328 3.560 20 0 BHADRN CC1(C)CC[C@H]1Nc1ccc2scnc2c1 ZINC000309746309 529053389 /nfs/dbraw/zinc/05/33/89/529053389.db2.gz FQAJRNMSSKPEMT-GFCCVEGCSA-N 0 0 232.352 3.897 20 0 BHADRN CC1(C)CC[C@@H]1Nc1ccc2scnc2c1 ZINC000309746311 529032605 /nfs/dbraw/zinc/03/26/05/529032605.db2.gz FQAJRNMSSKPEMT-LBPRGKRZSA-N 0 0 232.352 3.897 20 0 BHADRN C[C@@H](CC1CC1)Nc1cccc2cc[nH]c21 ZINC000309748221 326167053 /nfs/dbraw/zinc/16/70/53/326167053.db2.gz JTHWICZRXHSKPP-JTQLQIEISA-N 0 0 214.312 3.768 20 0 BHADRN C[C@H](CC1CC1)Nc1cccc2cc[nH]c21 ZINC000309748223 326166925 /nfs/dbraw/zinc/16/69/25/326166925.db2.gz JTHWICZRXHSKPP-SNVBAGLBSA-N 0 0 214.312 3.768 20 0 BHADRN Cc1ccc(SCC2CCC(O)CC2)cc1 ZINC000309751832 178827909 /nfs/dbraw/zinc/82/79/09/178827909.db2.gz KSFCVCYWHWSFML-UHFFFAOYSA-N 0 0 236.380 3.638 20 0 BHADRN CCC(C)(C)Nc1nc2cc(C)ccc2o1 ZINC000309762219 388464059 /nfs/dbraw/zinc/46/40/59/388464059.db2.gz IYQAHZSKJJGBMW-UHFFFAOYSA-N 0 0 218.300 3.737 20 0 BHADRN CC1(CNc2ccc(SC(F)F)nc2)CC1 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245.725 3.900 20 0 BHADRN CCc1cccc(NCC2(F)CC2)c1CC ZINC000309956897 491158949 /nfs/dbraw/zinc/15/89/49/491158949.db2.gz ISTBBVYJXRMKFY-UHFFFAOYSA-N 0 0 221.319 3.725 20 0 BHADRN COCC(C)(C)CNc1ccc(C)cc1Cl ZINC000309957319 229476764 /nfs/dbraw/zinc/47/67/64/229476764.db2.gz JAEDHAXTNOSLBD-UHFFFAOYSA-N 0 0 241.762 3.733 20 0 BHADRN CO[C@H](C)c1cccc(NCCC2CC2)c1 ZINC000309958056 491158891 /nfs/dbraw/zinc/15/88/91/491158891.db2.gz JOPURENUPDZMAD-LLVKDONJSA-N 0 0 219.328 3.606 20 0 BHADRN CO[C@@H](C)c1cccc(NCCC2CC2)c1 ZINC000309958059 491158926 /nfs/dbraw/zinc/15/89/26/491158926.db2.gz JOPURENUPDZMAD-NSHDSACASA-N 0 0 219.328 3.606 20 0 BHADRN COC1(CNc2cccc(Cl)c2)CCCC1 ZINC000309960710 388470095 /nfs/dbraw/zinc/47/00/95/388470095.db2.gz KZGYKAMTQOFSKK-UHFFFAOYSA-N 0 0 239.746 3.711 20 0 BHADRN CCOc1cc(F)ccc1NCC=C(C)C ZINC000309962700 388470239 /nfs/dbraw/zinc/47/02/39/388470239.db2.gz MBQTUZWARDQGDR-UHFFFAOYSA-N 0 0 223.291 3.603 20 0 BHADRN CCc1cc(NC2CCSCC2)ccc1F ZINC000309963263 388469762 /nfs/dbraw/zinc/46/97/62/388469762.db2.gz MFSQNWARESWOCT-UHFFFAOYSA-N 0 0 239.359 3.696 20 0 BHADRN CCc1cc(N[C@@H]2CCCSC2)ccc1F ZINC000309963354 388470263 /nfs/dbraw/zinc/47/02/63/388470263.db2.gz MILSWMURDMURGI-GFCCVEGCSA-N 0 0 239.359 3.696 20 0 BHADRN CCc1cc(N[C@H]2CCCSC2)ccc1F ZINC000309963355 388469925 /nfs/dbraw/zinc/46/99/25/388469925.db2.gz MILSWMURDMURGI-LBPRGKRZSA-N 0 0 239.359 3.696 20 0 BHADRN CCOc1cccc(NC2CC(C)(C)C2)c1 ZINC000309964200 384529195 /nfs/dbraw/zinc/52/91/95/384529195.db2.gz MQVPGCSZFKSSGZ-UHFFFAOYSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cc(NC2CC(C)C2)ccc1C ZINC000309964989 388469907 /nfs/dbraw/zinc/46/99/07/388469907.db2.gz MZSBUCBROUSDHZ-UHFFFAOYSA-N 0 0 219.328 3.604 20 0 BHADRN CCc1cnc(CNc2cccc(Cl)c2)o1 ZINC000309965047 347205602 /nfs/dbraw/zinc/20/56/02/347205602.db2.gz NBXSRZRZRKWKKT-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN CCc1ccc(N[C@H](C)[C@@H](C)OC)cc1Cl ZINC000309965061 388469887 /nfs/dbraw/zinc/46/98/87/388469887.db2.gz NCIZYXTZALJTJM-NXEZZACHSA-N 0 0 241.762 3.738 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@H](C)OC)cc1Cl ZINC000309965062 388469461 /nfs/dbraw/zinc/46/94/61/388469461.db2.gz NCIZYXTZALJTJM-UWVGGRQHSA-N 0 0 241.762 3.738 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@@H](C)OC)cc1Cl ZINC000309965063 388469608 /nfs/dbraw/zinc/46/96/08/388469608.db2.gz NCIZYXTZALJTJM-VHSXEESVSA-N 0 0 241.762 3.738 20 0 BHADRN CCc1ccc(N[C@H](C)[C@H](C)OC)cc1Cl ZINC000309965064 388469936 /nfs/dbraw/zinc/46/99/36/388469936.db2.gz NCIZYXTZALJTJM-ZJUUUORDSA-N 0 0 241.762 3.738 20 0 BHADRN CCc1cccc(N[C@H]2CCC23CCC3)c1 ZINC000309965621 529543267 /nfs/dbraw/zinc/54/32/67/529543267.db2.gz NHAVPYGORCRAOY-AWEZNQCLSA-N 0 0 215.340 3.994 20 0 BHADRN CCc1cccc(N[C@@H]2CCC23CCC3)c1 ZINC000309965623 388469684 /nfs/dbraw/zinc/46/96/84/388469684.db2.gz NHAVPYGORCRAOY-CQSZACIVSA-N 0 0 215.340 3.994 20 0 BHADRN CCc1cnc(CNc2ccccc2Cl)o1 ZINC000309966974 326177199 /nfs/dbraw/zinc/17/71/99/326177199.db2.gz NVRNLBPPCHJZOR-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN CCc1ccc(CNc2ncccc2Cl)o1 ZINC000309967347 384743578 /nfs/dbraw/zinc/74/35/78/384743578.db2.gz OAXBUDHMOSCSEF-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN COCC(C)(C)CNc1cccc(C)c1Cl ZINC000309968703 632688876 /nfs/dbraw/zinc/68/88/76/632688876.db2.gz ONFRAGNVQICAKE-UHFFFAOYSA-N 0 0 241.762 3.733 20 0 BHADRN CCNc1ccc(OCC)cc1C(F)(F)F ZINC000309968728 632688963 /nfs/dbraw/zinc/68/89/63/632688963.db2.gz ONUYKICBFUEWST-UHFFFAOYSA-N 0 0 233.233 3.536 20 0 BHADRN CCOc1cccc(N[C@@H]2CC[C@H]2CC)c1 ZINC000309970906 384531521 /nfs/dbraw/zinc/53/15/21/384531521.db2.gz PLXPTPSFUNUPJQ-BXUZGUMPSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cccc(N[C@H]2CC[C@@H]2CC)c1 ZINC000309970907 384529247 /nfs/dbraw/zinc/52/92/47/384529247.db2.gz PLXPTPSFUNUPJQ-FZMZJTMJSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cccc(N[C@H]2CC[C@H]2CC)c1 ZINC000309970908 384531211 /nfs/dbraw/zinc/53/12/11/384531211.db2.gz PLXPTPSFUNUPJQ-RISCZKNCSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cccc(N[C@@H]2CC[C@@H]2CC)c1 ZINC000309970909 384530596 /nfs/dbraw/zinc/53/05/96/384530596.db2.gz PLXPTPSFUNUPJQ-SMDDNHRTSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cc(N[C@H]2CC[C@@H]2C)ccc1C ZINC000309971221 634003861 /nfs/dbraw/zinc/00/38/61/634003861.db2.gz PQCMZWXOMTVWTM-GWCFXTLKSA-N 0 0 219.328 3.604 20 0 BHADRN CCOc1cc(N[C@@H]2CC[C@@H]2C)ccc1C ZINC000309971222 634004176 /nfs/dbraw/zinc/00/41/76/634004176.db2.gz PQCMZWXOMTVWTM-GXFFZTMASA-N 0 0 219.328 3.604 20 0 BHADRN CCOc1cc(N[C@H]2CC[C@H]2C)ccc1C ZINC000309971224 634055338 /nfs/dbraw/zinc/05/53/38/634055338.db2.gz PQCMZWXOMTVWTM-MFKMUULPSA-N 0 0 219.328 3.604 20 0 BHADRN CCOc1cc(N[C@@H]2CC[C@H]2C)ccc1C ZINC000309971226 634004032 /nfs/dbraw/zinc/00/40/32/634004032.db2.gz PQCMZWXOMTVWTM-ZWNOBZJWSA-N 0 0 219.328 3.604 20 0 BHADRN CCCc1csc(CNc2ccccc2)n1 ZINC000309971261 384747991 /nfs/dbraw/zinc/74/79/91/384747991.db2.gz PQYXMESRQDMPDI-UHFFFAOYSA-N 0 0 232.352 3.708 20 0 BHADRN CC[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)C(F)(F)F ZINC000309972176 388470650 /nfs/dbraw/zinc/47/06/50/388470650.db2.gz QBLWPJZSZGYZBW-DBIOUOCHSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)C(F)(F)F ZINC000309972180 388471145 /nfs/dbraw/zinc/47/11/45/388471145.db2.gz QBLWPJZSZGYZBW-MMWGEVLESA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000309972183 388471424 /nfs/dbraw/zinc/47/14/24/388471424.db2.gz QBLWPJZSZGYZBW-YTWAJWBKSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)C(F)(F)F ZINC000309972187 388470832 /nfs/dbraw/zinc/47/08/32/388470832.db2.gz QBLWPJZSZGYZBW-ZDCRXTMVSA-N 0 0 237.309 3.742 20 0 BHADRN CCOc1cccc(NC2CC(CC)C2)c1 ZINC000309972517 388471127 /nfs/dbraw/zinc/47/11/27/388471127.db2.gz QFMWDMACZCBGMF-UHFFFAOYSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cc(NCC2(C)CC2)ccc1C ZINC000309972841 347208307 /nfs/dbraw/zinc/20/83/07/347208307.db2.gz QKJRLJFFMNBOJP-UHFFFAOYSA-N 0 0 219.328 3.606 20 0 BHADRN CCc1csc(NC2CCC3(CC3)CC2)n1 ZINC000309973346 347207833 /nfs/dbraw/zinc/20/78/33/347207833.db2.gz QVMHGSKJQMIAIH-UHFFFAOYSA-N 0 0 236.384 3.840 20 0 BHADRN CNc1ccccc1-c1c(F)cccc1F ZINC000309974510 384530643 /nfs/dbraw/zinc/53/06/43/384530643.db2.gz RTLOSJDXACNXOB-UHFFFAOYSA-N 0 0 219.234 3.674 20 0 BHADRN COCCCCNc1c(C)cc(C)cc1Cl ZINC000309974970 491159160 /nfs/dbraw/zinc/15/91/60/491159160.db2.gz RZRQJFFAVPBKHO-UHFFFAOYSA-N 0 0 241.762 3.795 20 0 BHADRN CO[C@H](C)c1cccc(NCC2(C)CC2)c1 ZINC000309975090 323122813 /nfs/dbraw/zinc/12/28/13/323122813.db2.gz SDDOLMDOYSXNDL-LLVKDONJSA-N 0 0 219.328 3.606 20 0 BHADRN CO[C@@H](C)c1cccc(NCC2(C)CC2)c1 ZINC000309975091 323122765 /nfs/dbraw/zinc/12/27/65/323122765.db2.gz SDDOLMDOYSXNDL-NSHDSACASA-N 0 0 219.328 3.606 20 0 BHADRN CC[C@H](NC1CCC2(CC2)CC1)C(F)(F)F ZINC000309975382 384754473 /nfs/dbraw/zinc/75/44/73/384754473.db2.gz SHMQAJZQUKBMQY-JTQLQIEISA-N 0 0 235.293 3.640 20 0 BHADRN COCC(C)(C)CNc1ccc(Cl)c(F)c1 ZINC000309976734 229477574 /nfs/dbraw/zinc/47/75/74/229477574.db2.gz TYLGPTHDHJSCIH-UHFFFAOYSA-N 0 0 245.725 3.564 20 0 BHADRN CCc1cccc(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000309977151 491159172 /nfs/dbraw/zinc/15/91/72/491159172.db2.gz UEIUYBLNNZUMDM-CABCVRRESA-N 0 0 215.340 3.850 20 0 BHADRN CCc1cccc(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000309977152 491159187 /nfs/dbraw/zinc/15/91/87/491159187.db2.gz UEIUYBLNNZUMDM-GJZGRUSLSA-N 0 0 215.340 3.850 20 0 BHADRN CCc1cccc(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000309977153 491159176 /nfs/dbraw/zinc/15/91/76/491159176.db2.gz UEIUYBLNNZUMDM-HUUCEWRRSA-N 0 0 215.340 3.850 20 0 BHADRN CCc1cccc(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000309977154 491159201 /nfs/dbraw/zinc/15/92/01/491159201.db2.gz UEIUYBLNNZUMDM-LSDHHAIUSA-N 0 0 215.340 3.850 20 0 BHADRN CCc1cnc(CNc2ccc(Cl)cc2)o1 ZINC000309977342 323122793 /nfs/dbraw/zinc/12/27/93/323122793.db2.gz UGXKHKLUEQRQSR-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN CCNc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000309978105 491159242 /nfs/dbraw/zinc/15/92/42/491159242.db2.gz UUHKUGFSVBYNQY-UHFFFAOYSA-N 0 0 239.187 3.773 20 0 BHADRN CCc1csc(N[C@@H]2CCCC(F)(F)C2)n1 ZINC000309980446 347209801 /nfs/dbraw/zinc/20/98/01/347209801.db2.gz VYAJMZNFNQYYCG-SECBINFHSA-N 0 0 246.326 3.695 20 0 BHADRN CCc1csc(N[C@H]2CCCC(F)(F)C2)n1 ZINC000309980447 171934080 /nfs/dbraw/zinc/93/40/80/171934080.db2.gz VYAJMZNFNQYYCG-VIFPVBQESA-N 0 0 246.326 3.695 20 0 BHADRN CCOc1cc(NCCSCC)ccc1C ZINC000309981817 528327288 /nfs/dbraw/zinc/32/72/88/528327288.db2.gz WKZINLXRHZWXDX-UHFFFAOYSA-N 0 0 239.384 3.559 20 0 BHADRN C/C=C\c1ccc(NCCCCOC)cc1 ZINC000309982470 526341817 /nfs/dbraw/zinc/34/18/17/526341817.db2.gz WWVDFEXGJPUQQZ-UTCJRWHESA-N 0 0 219.328 3.558 20 0 BHADRN C/C=C/c1ccc(NCCCCOC)cc1 ZINC000309982471 187822779 /nfs/dbraw/zinc/82/27/79/187822779.db2.gz WWVDFEXGJPUQQZ-ZZXKWVIFSA-N 0 0 219.328 3.558 20 0 BHADRN CCc1csc(NC[C@@H]2CCC(F)(F)C2)n1 ZINC000309984668 344489297 /nfs/dbraw/zinc/48/92/97/344489297.db2.gz XVAVPWOIBPWQGL-MRVPVSSYSA-N 0 0 246.326 3.553 20 0 BHADRN CCc1csc(NC[C@H]2CCC(F)(F)C2)n1 ZINC000309984669 347212204 /nfs/dbraw/zinc/21/22/04/347212204.db2.gz 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CC[C@@H]1CCC[C@H](CN[C@@H](C)C(F)(F)F)C1 ZINC000309995909 388470866 /nfs/dbraw/zinc/47/08/66/388470866.db2.gz CEDIFTGHRPGIGG-AXFHLTTASA-N 0 0 237.309 3.743 20 0 BHADRN CC[C@@H]1CCC[C@@H](CN[C@H](C)C(F)(F)F)C1 ZINC000309995912 388470582 /nfs/dbraw/zinc/47/05/82/388470582.db2.gz CEDIFTGHRPGIGG-GMTAPVOTSA-N 0 0 237.309 3.743 20 0 BHADRN CC[C@@H]1CCC[C@@H](CN[C@@H](C)C(F)(F)F)C1 ZINC000309995914 388470816 /nfs/dbraw/zinc/47/08/16/388470816.db2.gz CEDIFTGHRPGIGG-HBNTYKKESA-N 0 0 237.309 3.743 20 0 BHADRN CC[C@@H]1CCC[C@H](CN[C@H](C)C(F)(F)F)C1 ZINC000309995916 529313017 /nfs/dbraw/zinc/31/30/17/529313017.db2.gz CEDIFTGHRPGIGG-MXWKQRLJSA-N 0 0 237.309 3.743 20 0 BHADRN CC[C@@H](C)Nc1ccc2ccc(F)cc2n1 ZINC000309997652 170760217 /nfs/dbraw/zinc/76/02/17/170760217.db2.gz CMPXCCKMOOUJGQ-SECBINFHSA-N 0 0 218.275 3.584 20 0 BHADRN CC[C@H](C)Nc1ccc2ccc(F)cc2n1 ZINC000309997654 171349439 /nfs/dbraw/zinc/34/94/39/171349439.db2.gz CMPXCCKMOOUJGQ-VIFPVBQESA-N 0 0 218.275 3.584 20 0 BHADRN CC[C@@H](C)CNc1cccc2ccn(C)c21 ZINC000309998266 388471835 /nfs/dbraw/zinc/47/18/35/388471835.db2.gz CXBQOSSVYQJIOW-LLVKDONJSA-N 0 0 216.328 3.636 20 0 BHADRN CC[C@H](C)CNc1cccc2ccn(C)c21 ZINC000309998268 388472202 /nfs/dbraw/zinc/47/22/02/388472202.db2.gz CXBQOSSVYQJIOW-NSHDSACASA-N 0 0 216.328 3.636 20 0 BHADRN CCCCNc1c(F)cccc1NC(C)C ZINC000309998425 634059869 /nfs/dbraw/zinc/05/98/69/634059869.db2.gz CXYXFFKSGZGQHI-UHFFFAOYSA-N 0 0 224.323 3.858 20 0 BHADRN CCCCNc1c(C)cccc1OC(F)F ZINC000309999492 388471989 /nfs/dbraw/zinc/47/19/89/388471989.db2.gz DHOAMJAVFWPREL-UHFFFAOYSA-N 0 0 229.270 3.808 20 0 BHADRN CC/C=C\CCNc1cc(F)ccc1OC ZINC000310000513 388471948 /nfs/dbraw/zinc/47/19/48/388471948.db2.gz DRGGHFVJJYYMPB-PLNGDYQASA-N 0 0 223.291 3.603 20 0 BHADRN CC/C=C/CCNc1cc(F)ccc1OC ZINC000310000515 384551601 /nfs/dbraw/zinc/55/16/01/384551601.db2.gz DRGGHFVJJYYMPB-SNAWJCMRSA-N 0 0 223.291 3.603 20 0 BHADRN CC[C@H](Nc1cccc(OC)c1F)C(C)C ZINC000310002482 634062580 /nfs/dbraw/zinc/06/25/80/634062580.db2.gz FHWFAYNHAXKCHN-JTQLQIEISA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@@H](Nc1cccc(OC)c1F)C(C)C ZINC000310002483 632691769 /nfs/dbraw/zinc/69/17/69/632691769.db2.gz FHWFAYNHAXKCHN-SNVBAGLBSA-N 0 0 225.307 3.681 20 0 BHADRN CCCCNc1ccc(OCC2CC2)cc1 ZINC000310003692 711702563 /nfs/dbraw/zinc/70/25/63/711702563.db2.gz FTBWNJHHXRMOQG-UHFFFAOYSA-N 0 0 219.328 3.687 20 0 BHADRN CC[C@@H](NC1(C(F)F)CC1)c1ccccc1 ZINC000310005073 170889829 /nfs/dbraw/zinc/88/98/29/170889829.db2.gz GHDWMBTXXSUHQA-LLVKDONJSA-N 0 0 225.282 3.525 20 0 BHADRN CC[C@H](NC1(C(F)F)CC1)c1ccccc1 ZINC000310005074 171514492 /nfs/dbraw/zinc/51/44/92/171514492.db2.gz GHDWMBTXXSUHQA-NSHDSACASA-N 0 0 225.282 3.525 20 0 BHADRN CC/C=C\CCNc1c(F)cccc1OC ZINC000310005827 384781333 /nfs/dbraw/zinc/78/13/33/384781333.db2.gz GQCYMCWPKVNCMN-PLNGDYQASA-N 0 0 223.291 3.603 20 0 BHADRN CC/C=C/CCNc1c(F)cccc1OC ZINC000310005828 388472081 /nfs/dbraw/zinc/47/20/81/388472081.db2.gz GQCYMCWPKVNCMN-SNAWJCMRSA-N 0 0 223.291 3.603 20 0 BHADRN CC[C@@H](F)CNc1ccc(C(F)(F)F)cc1 ZINC000310008251 388472804 /nfs/dbraw/zinc/47/28/04/388472804.db2.gz HQBWUOXQYFAKMP-SECBINFHSA-N 0 0 235.224 3.865 20 0 BHADRN CC[C@H](F)CNc1ccc(C(F)(F)F)cc1 ZINC000310008253 388472694 /nfs/dbraw/zinc/47/26/94/388472694.db2.gz HQBWUOXQYFAKMP-VIFPVBQESA-N 0 0 235.224 3.865 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cccc(OC)c1F ZINC000310011231 634071356 /nfs/dbraw/zinc/07/13/56/634071356.db2.gz IQXVWDWFASOCCV-NXEZZACHSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cccc(OC)c1F ZINC000310011233 632692964 /nfs/dbraw/zinc/69/29/64/632692964.db2.gz IQXVWDWFASOCCV-UWVGGRQHSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cccc(OC)c1F ZINC000310011235 632693614 /nfs/dbraw/zinc/69/36/14/632693614.db2.gz IQXVWDWFASOCCV-VHSXEESVSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cccc(OC)c1F ZINC000310011237 634071954 /nfs/dbraw/zinc/07/19/54/634071954.db2.gz IQXVWDWFASOCCV-ZJUUUORDSA-N 0 0 225.307 3.681 20 0 BHADRN CC[C@@H](Nc1nnc(C2CC2)s1)C(C)(C)C ZINC000310013065 170917384 /nfs/dbraw/zinc/91/73/84/170917384.db2.gz JNBACDBNCRFOQW-SECBINFHSA-N 0 0 239.388 3.652 20 0 BHADRN CC[C@H](Nc1nnc(C2CC2)s1)C(C)(C)C ZINC000310013066 171553404 /nfs/dbraw/zinc/55/34/04/171553404.db2.gz JNBACDBNCRFOQW-VIFPVBQESA-N 0 0 239.388 3.652 20 0 BHADRN CC[C@H](COC)Nc1cccc(SC)c1C ZINC000310018414 388472712 /nfs/dbraw/zinc/47/27/12/388472712.db2.gz LYPCBXTXYGOZTP-LLVKDONJSA-N 0 0 239.384 3.554 20 0 BHADRN CC[C@@H](COC)Nc1cccc(SC)c1C ZINC000310018416 388473368 /nfs/dbraw/zinc/47/33/68/388473368.db2.gz LYPCBXTXYGOZTP-NSHDSACASA-N 0 0 239.384 3.554 20 0 BHADRN CC[C@@H](Nc1ccc2scnc2c1)C1CC1 ZINC000310018557 388473116 /nfs/dbraw/zinc/47/31/16/388473116.db2.gz MAJWACHSFOIJIG-LLVKDONJSA-N 0 0 232.352 3.897 20 0 BHADRN CC[C@H](Nc1ccc2scnc2c1)C1CC1 ZINC000310018559 388473025 /nfs/dbraw/zinc/47/30/25/388473025.db2.gz MAJWACHSFOIJIG-NSHDSACASA-N 0 0 232.352 3.897 20 0 BHADRN CC[C@@H](Nc1ccc(Cl)cc1OC)C1CC1 ZINC000310020501 711702023 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ZINC000310026386 326180087 /nfs/dbraw/zinc/18/00/87/326180087.db2.gz PNRJCRJNYOQKIP-QWRGUYRKSA-N 0 0 239.388 3.617 20 0 BHADRN CCC[C@H]1CCCC[C@H]1Nc1nnc(C)s1 ZINC000310026387 326180398 /nfs/dbraw/zinc/18/03/98/326180398.db2.gz PNRJCRJNYOQKIP-WDEREUQCSA-N 0 0 239.388 3.617 20 0 BHADRN CC[C@@H](F)CNc1ccc(SC)cc1OC ZINC000310026877 385054033 /nfs/dbraw/zinc/05/40/33/385054033.db2.gz PUNPBHSSOYJUFW-SECBINFHSA-N 0 0 243.347 3.577 20 0 BHADRN CC[C@H](F)CNc1ccc(SC)cc1OC ZINC000310026880 384793868 /nfs/dbraw/zinc/79/38/68/384793868.db2.gz PUNPBHSSOYJUFW-VIFPVBQESA-N 0 0 243.347 3.577 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1Nc1ccccn1 ZINC000310027609 384793068 /nfs/dbraw/zinc/79/30/68/384793068.db2.gz QBRHXLMZIWNYHQ-CHWSQXEVSA-N 0 0 218.344 3.852 20 0 BHADRN CC[C@@H](C)CNc1cnn([C@H](C)CC)c1C ZINC000310028941 384792665 /nfs/dbraw/zinc/79/26/65/384792665.db2.gz QMZJJBBDBRCOTO-GHMZBOCLSA-N 0 0 223.364 3.621 20 0 BHADRN CC[C@@H](C)CNc1cnn([C@@H](C)CC)c1C ZINC000310028942 384793019 /nfs/dbraw/zinc/79/30/19/384793019.db2.gz QMZJJBBDBRCOTO-MNOVXSKESA-N 0 0 223.364 3.621 20 0 BHADRN CC[C@H](C)CNc1cnn([C@@H](C)CC)c1C ZINC000310028944 171289367 /nfs/dbraw/zinc/28/93/67/171289367.db2.gz QMZJJBBDBRCOTO-QWRGUYRKSA-N 0 0 223.364 3.621 20 0 BHADRN CC[C@@H](C)n1ncc(NC[C@@H](C)CC)c1C ZINC000310028946 171288701 /nfs/dbraw/zinc/28/87/01/171288701.db2.gz QMZJJBBDBRCOTO-WDEREUQCSA-N 0 0 223.364 3.621 20 0 BHADRN CCCCNc1ccccc1OCC1CC1 ZINC000310032896 388474585 /nfs/dbraw/zinc/47/45/85/388474585.db2.gz RQQILNJFMUMKMI-UHFFFAOYSA-N 0 0 219.328 3.687 20 0 BHADRN CCC(CC)CNc1cccc(OC)c1F ZINC000310033005 634064550 /nfs/dbraw/zinc/06/45/50/634064550.db2.gz RSLSIHQORKTSOD-UHFFFAOYSA-N 0 0 225.307 3.682 20 0 BHADRN CCC(CC)Nc1cccc2c1OCCC2 ZINC000310033661 388474810 /nfs/dbraw/zinc/47/48/10/388474810.db2.gz SBUXLVORMBFKBV-UHFFFAOYSA-N 0 0 219.328 3.612 20 0 BHADRN CCC[C@H](C)Nc1nc2cc(C)ccc2o1 ZINC000310034351 370291964 /nfs/dbraw/zinc/29/19/64/370291964.db2.gz SKRKNBAPMWIWGJ-JTQLQIEISA-N 0 0 218.300 3.737 20 0 BHADRN CCC[C@@H](C)Nc1nc2cc(C)ccc2o1 ZINC000310034352 370291599 /nfs/dbraw/zinc/29/15/99/370291599.db2.gz SKRKNBAPMWIWGJ-SNVBAGLBSA-N 0 0 218.300 3.737 20 0 BHADRN CC[C@@H](C)Nc1nccc2ccc(F)cc21 ZINC000310034366 384800573 /nfs/dbraw/zinc/80/05/73/384800573.db2.gz SLDGXWKENFWIRN-SECBINFHSA-N 0 0 218.275 3.584 20 0 BHADRN CC[C@H](C)Nc1nccc2ccc(F)cc21 ZINC000310034367 171350680 /nfs/dbraw/zinc/35/06/80/171350680.db2.gz SLDGXWKENFWIRN-VIFPVBQESA-N 0 0 218.275 3.584 20 0 BHADRN CCC[C@@H](C)Nc1nc2c(cccc2F)o1 ZINC000310034839 632696605 /nfs/dbraw/zinc/69/66/05/632696605.db2.gz SQKHNSILJQXGNR-MRVPVSSYSA-N 0 0 222.263 3.567 20 0 BHADRN CCC[C@H](C)Nc1nc2c(cccc2F)o1 ZINC000310034840 634095122 /nfs/dbraw/zinc/09/51/22/634095122.db2.gz SQKHNSILJQXGNR-QMMMGPOBSA-N 0 0 222.263 3.567 20 0 BHADRN CC/C=C\CCNc1ccccc1C(C)=O ZINC000310034978 634064529 /nfs/dbraw/zinc/06/45/29/634064529.db2.gz SUGPGGHPKNAFQB-PLNGDYQASA-N 0 0 217.312 3.657 20 0 BHADRN CC/C=C/CCNc1ccccc1C(C)=O ZINC000310034979 632696064 /nfs/dbraw/zinc/69/60/64/632696064.db2.gz SUGPGGHPKNAFQB-SNAWJCMRSA-N 0 0 217.312 3.657 20 0 BHADRN CC[C@@H](F)CNc1cccc([C@H](C)OC)c1 ZINC000310034990 170859872 /nfs/dbraw/zinc/85/98/72/170859872.db2.gz SUSMXMMVJPBCJH-CMPLNLGQSA-N 0 0 225.307 3.554 20 0 BHADRN CC[C@H](F)CNc1cccc([C@H](C)OC)c1 ZINC000310034991 384802471 /nfs/dbraw/zinc/80/24/71/384802471.db2.gz SUSMXMMVJPBCJH-JQWIXIFHSA-N 0 0 225.307 3.554 20 0 BHADRN CC[C@H](F)CNc1cccc([C@@H](C)OC)c1 ZINC000310034992 384803652 /nfs/dbraw/zinc/80/36/52/384803652.db2.gz SUSMXMMVJPBCJH-PWSUYJOCSA-N 0 0 225.307 3.554 20 0 BHADRN CC[C@@H](F)CNc1cccc([C@@H](C)OC)c1 ZINC000310034993 384802400 /nfs/dbraw/zinc/80/24/00/384802400.db2.gz SUSMXMMVJPBCJH-ZYHUDNBSSA-N 0 0 225.307 3.554 20 0 BHADRN CCC1CC(Nc2ccc(Cl)c(OC)c2)C1 ZINC000310035313 388474531 /nfs/dbraw/zinc/47/45/31/388474531.db2.gz TUBIPPSYESHYBW-UHFFFAOYSA-N 0 0 239.746 3.949 20 0 BHADRN CC/C=C/CCNc1cc(C)ccc1OC ZINC000310035378 384592494 /nfs/dbraw/zinc/59/24/94/384592494.db2.gz TWGDJMXRKXGURS-AATRIKPKSA-N 0 0 219.328 3.772 20 0 BHADRN CC/C=C\CCNc1cc(C)ccc1OC ZINC000310035379 384593741 /nfs/dbraw/zinc/59/37/41/384593741.db2.gz TWGDJMXRKXGURS-WAYWQWQTSA-N 0 0 219.328 3.772 20 0 BHADRN CCCCNc1ccc(F)cc1NC(C)C ZINC000310035957 632696875 /nfs/dbraw/zinc/69/68/75/632696875.db2.gz UHJAGWFZDHDYIA-UHFFFAOYSA-N 0 0 224.323 3.858 20 0 BHADRN CC[C@@H](F)CNc1cc(F)c(SC)c(F)c1 ZINC000310037186 384590578 /nfs/dbraw/zinc/59/05/78/384590578.db2.gz UWQDYMUFCOLLON-SSDOTTSWSA-N 0 0 249.301 3.847 20 0 BHADRN CC[C@H](F)CNc1cc(F)c(SC)c(F)c1 ZINC000310037187 384590964 /nfs/dbraw/zinc/59/09/64/384590964.db2.gz UWQDYMUFCOLLON-ZETCQYMHSA-N 0 0 249.301 3.847 20 0 BHADRN CCCCC[C@H](C)Nc1ncc(SC)cn1 ZINC000310037767 634098489 /nfs/dbraw/zinc/09/84/89/634098489.db2.gz VLRGLTFLSIHMNP-JTQLQIEISA-N 0 0 239.388 3.579 20 0 BHADRN CCCCC[C@@H](C)Nc1ncc(SC)cn1 ZINC000310037768 634098877 /nfs/dbraw/zinc/09/88/77/634098877.db2.gz VLRGLTFLSIHMNP-SNVBAGLBSA-N 0 0 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JYSFFIUQVINBOV-UHFFFAOYSA-N 0 0 230.355 3.771 20 0 BHADRN Fc1ccc(NC(C2CCC2)C2CCC2)nc1 ZINC000324741169 387516691 /nfs/dbraw/zinc/51/66/91/387516691.db2.gz NISAYOULXJKTKI-UHFFFAOYSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccnc1NC(C1CCC1)C1CCC1 ZINC000324759064 181016002 /nfs/dbraw/zinc/01/60/02/181016002.db2.gz XPPZBLDEXSVJNK-UHFFFAOYSA-N 0 0 234.318 3.601 20 0 BHADRN c1cc2c(ccnc2N[C@H](C2CC2)C2CCC2)o1 ZINC000325066970 386724114 /nfs/dbraw/zinc/72/41/14/386724114.db2.gz ZIJPLSUFXHNHFS-AWEZNQCLSA-N 0 0 242.322 3.818 20 0 BHADRN c1cc2c(ccnc2N[C@@H](C2CC2)C2CCC2)o1 ZINC000325066971 386725732 /nfs/dbraw/zinc/72/57/32/386725732.db2.gz ZIJPLSUFXHNHFS-CQSZACIVSA-N 0 0 242.322 3.818 20 0 BHADRN CCC[C@H](NC(=O)c1ccccc1F)C1CCC1 ZINC000325173104 386736660 /nfs/dbraw/zinc/73/66/60/386736660.db2.gz WBENGNMCALMFJV-AWEZNQCLSA-N 0 0 249.329 3.524 20 0 BHADRN CCC[C@@H](NC(=O)c1ccccc1F)C1CCC1 ZINC000325173105 386738157 /nfs/dbraw/zinc/73/81/57/386738157.db2.gz WBENGNMCALMFJV-CQSZACIVSA-N 0 0 249.329 3.524 20 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387601736 /nfs/dbraw/zinc/60/17/36/387601736.db2.gz DWXMMFBNOMECJF-SECBINFHSA-N 0 0 244.285 3.674 20 0 BHADRN CCC[C@H](CC)Nc1ccc(OC(F)F)cn1 ZINC000327979538 387601515 /nfs/dbraw/zinc/60/15/15/387601515.db2.gz DWXMMFBNOMECJF-VIFPVBQESA-N 0 0 244.285 3.674 20 0 BHADRN Fc1ccc(N[C@@H]2CCCC23CCCC3)cn1 ZINC000328028304 633212347 /nfs/dbraw/zinc/21/23/47/633212347.db2.gz UUZXHFPNRQQEMY-GFCCVEGCSA-N 0 0 234.318 3.746 20 0 BHADRN Fc1ccc(N[C@H]2CCCC23CCCC3)cn1 ZINC000328028306 633213838 /nfs/dbraw/zinc/21/38/38/633213838.db2.gz UUZXHFPNRQQEMY-LBPRGKRZSA-N 0 0 234.318 3.746 20 0 BHADRN Cc1ccnc(CNc2ccc3ccccc3n2)c1 ZINC000328116825 187392843 /nfs/dbraw/zinc/39/28/43/187392843.db2.gz PKANMOUCFKOYPV-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN OCc1cccc(N[C@H]2CCCC23CCCC3)c1 ZINC000328157945 388558601 /nfs/dbraw/zinc/55/86/01/388558601.db2.gz HGOIRAADAPQFRQ-HNNXBMFYSA-N 0 0 245.366 3.704 20 0 BHADRN OCc1cccc(N[C@@H]2CCCC23CCCC3)c1 ZINC000328157947 388558561 /nfs/dbraw/zinc/55/85/61/388558561.db2.gz HGOIRAADAPQFRQ-OAHLLOKOSA-N 0 0 245.366 3.704 20 0 BHADRN CC(C)C[C@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000328212197 324240243 /nfs/dbraw/zinc/24/02/43/324240243.db2.gz IWUIQYNIPAXPIV-JTQLQIEISA-N 0 0 241.762 3.570 20 0 BHADRN CC(C)C[C@@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000328212198 324240334 /nfs/dbraw/zinc/24/03/34/324240334.db2.gz IWUIQYNIPAXPIV-SNVBAGLBSA-N 0 0 241.762 3.570 20 0 BHADRN Cc1cccc(NCc2cccc(O)c2Cl)c1 ZINC000328221797 324254901 /nfs/dbraw/zinc/25/49/01/324254901.db2.gz LSJPMWIYLVOXHY-UHFFFAOYSA-N 0 0 247.725 3.966 20 0 BHADRN Oc1cccc(CNc2ccccc2)c1Cl ZINC000328249761 324308122 /nfs/dbraw/zinc/30/81/22/324308122.db2.gz SIYBAWUJAXWHSU-UHFFFAOYSA-N 0 0 233.698 3.658 20 0 BHADRN CC(C)C[C@H](C)Oc1cccc(C=O)c1Cl ZINC000328265751 633748665 /nfs/dbraw/zinc/74/86/65/633748665.db2.gz OGOQKVSEVPODBT-JTQLQIEISA-N 0 0 240.730 3.966 20 0 BHADRN CC(C)C[C@@H](C)Oc1cccc(C=O)c1Cl ZINC000328265753 633747241 /nfs/dbraw/zinc/74/72/41/633747241.db2.gz OGOQKVSEVPODBT-SNVBAGLBSA-N 0 0 240.730 3.966 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H]2CCOC2(C)C)c1 ZINC000328283263 388590336 /nfs/dbraw/zinc/59/03/36/388590336.db2.gz ZZNVJMMKHTXJMR-GFCCVEGCSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)c(N[C@H]2CCOC2(C)C)c1 ZINC000328283266 324401944 /nfs/dbraw/zinc/40/19/44/324401944.db2.gz ZZNVJMMKHTXJMR-LBPRGKRZSA-N 0 0 239.746 3.628 20 0 BHADRN CC1(C)OCC[C@@H]1Nc1ccc2ccccc2c1 ZINC000328312368 633749804 /nfs/dbraw/zinc/74/98/04/633749804.db2.gz ASWYLYFRKXCMHJ-HNNXBMFYSA-N 0 0 241.334 3.819 20 0 BHADRN CC1(C)OCC[C@H]1Nc1ccc2ccccc2c1 ZINC000328312369 633751127 /nfs/dbraw/zinc/75/11/27/633751127.db2.gz ASWYLYFRKXCMHJ-OAHLLOKOSA-N 0 0 241.334 3.819 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)NC2CCCCC2)CC1 ZINC000328320832 324452899 /nfs/dbraw/zinc/45/28/99/324452899.db2.gz DZAUBQHEBRZQFK-JOCQHMNTSA-N 0 0 237.387 3.652 20 0 BHADRN CC[N@@H+](Cc1cccc(O)c1Cl)CC(C)C ZINC000328340707 388616045 /nfs/dbraw/zinc/61/60/45/388616045.db2.gz MEEUILSOYYPRNA-UHFFFAOYSA-N 0 0 241.762 3.524 20 0 BHADRN O[C@H]1CCCC[C@H]1CSC1CCCCC1 ZINC000328343343 388624784 /nfs/dbraw/zinc/62/47/84/388624784.db2.gz LLWZKPHTAHJUIK-AAEUAGOBSA-N 0 0 228.401 3.603 20 0 BHADRN O[C@@H]1CCCC[C@@H]1CSC1CCCCC1 ZINC000328343344 388624880 /nfs/dbraw/zinc/62/48/80/388624880.db2.gz LLWZKPHTAHJUIK-DGCLKSJQSA-N 0 0 228.401 3.603 20 0 BHADRN O[C@@H]1CCCC[C@H]1CSC1CCCCC1 ZINC000328343346 388625038 /nfs/dbraw/zinc/62/50/38/388625038.db2.gz LLWZKPHTAHJUIK-WCQYABFASA-N 0 0 228.401 3.603 20 0 BHADRN O[C@H]1CCCC[C@@H]1CSC1CCCCC1 ZINC000328343347 324518148 /nfs/dbraw/zinc/51/81/48/324518148.db2.gz LLWZKPHTAHJUIK-YPMHNXCESA-N 0 0 228.401 3.603 20 0 BHADRN Cc1cccc(N[C@@H]2CCOC2(C)C)c1Cl ZINC000328358756 350398832 /nfs/dbraw/zinc/39/88/32/350398832.db2.gz DTBSEANKZWIWTG-LLVKDONJSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1cccc(N[C@H]2CCOC2(C)C)c1Cl ZINC000328358765 350398926 /nfs/dbraw/zinc/39/89/26/350398926.db2.gz DTBSEANKZWIWTG-NSHDSACASA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC2(C)C)c(Cl)c1 ZINC000328368087 324566614 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CC(C)c1cccc(N[C@H]2CCOC2(C)C)c1 ZINC000328402243 388642872 /nfs/dbraw/zinc/64/28/72/388642872.db2.gz RTJQRUKPABAHLK-AWEZNQCLSA-N 0 0 233.355 3.789 20 0 BHADRN CC(C)c1cccc(N[C@@H]2CCOC2(C)C)c1 ZINC000328402245 388642903 /nfs/dbraw/zinc/64/29/03/388642903.db2.gz RTJQRUKPABAHLK-CQSZACIVSA-N 0 0 233.355 3.789 20 0 BHADRN CCC[C@H](C)[N@H+](C)Cc1cccc(O)c1Cl ZINC000328411308 388642353 /nfs/dbraw/zinc/64/23/53/388642353.db2.gz XMGKJUBXQIVSAT-JTQLQIEISA-N 0 0 241.762 3.666 20 0 BHADRN CCC[C@@H](C)[N@H+](C)Cc1cccc(O)c1Cl ZINC000328411309 388642889 /nfs/dbraw/zinc/64/28/89/388642889.db2.gz XMGKJUBXQIVSAT-SNVBAGLBSA-N 0 0 241.762 3.666 20 0 BHADRN Cc1cc(CNc2ccc3c(c2)CCO3)cs1 ZINC000328470068 633768920 /nfs/dbraw/zinc/76/89/20/633768920.db2.gz ZHKPACQJUSOGMD-UHFFFAOYSA-N 0 0 245.347 3.604 20 0 BHADRN Cc1csc(-c2noc(C3CCCCC3)n2)n1 ZINC000329452136 386674853 /nfs/dbraw/zinc/67/48/53/386674853.db2.gz CXLZKWJZNBVHAT-UHFFFAOYSA-N 0 0 249.339 3.549 20 0 BHADRN c1ncc(-c2noc(C3=CCCCCC3)n2)s1 ZINC000329610388 386723223 /nfs/dbraw/zinc/72/32/23/386723223.db2.gz RCVCNNWRFNPFQI-UHFFFAOYSA-N 0 0 247.323 3.541 20 0 BHADRN Cc1cc(-c2nc(C3CCCCC3)no2)ns1 ZINC000329764595 538109489 /nfs/dbraw/zinc/10/94/89/538109489.db2.gz VWXMCHUGDOZQLV-UHFFFAOYSA-N 0 0 249.339 3.549 20 0 BHADRN NC(=O)c1cccc(NC2CCC3(CC3)CC2)c1 ZINC000330202558 181206883 /nfs/dbraw/zinc/20/68/83/181206883.db2.gz ZMDXFUDGRYOBRT-UHFFFAOYSA-N 0 0 244.338 3.705 20 0 BHADRN CC(C)(C)CCC(=O)Nc1cccc2ocnc21 ZINC000330515138 386746157 /nfs/dbraw/zinc/74/61/57/386746157.db2.gz DHMCTMQWRWNYPO-UHFFFAOYSA-N 0 0 246.310 3.593 20 0 BHADRN CCC(C)(C)CC(=O)Nc1cccc2ocnc21 ZINC000330540898 168274042 /nfs/dbraw/zinc/27/40/42/168274042.db2.gz RVKQUVAQFUHVOX-UHFFFAOYSA-N 0 0 246.310 3.593 20 0 BHADRN Cc1ccc(C(N)=O)cc1OCC1CCCCC1 ZINC000330787958 178369112 /nfs/dbraw/zinc/36/91/12/178369112.db2.gz PZUBGMCORRKWFI-UHFFFAOYSA-N 0 0 247.338 3.837 20 0 BHADRN CCc1ccc(/C=C/c2nc(C(C)(C)C)no2)o1 ZINC000330894173 386923151 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DTPVZBFURKVCOE-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN CC[C@@H](C)c1nc([C@@H]2CCCCS2)no1 ZINC000334152662 385085878 /nfs/dbraw/zinc/08/58/78/385085878.db2.gz XRPUKQKFIGHTMN-BDAKNGLRSA-N 0 0 226.345 3.541 20 0 BHADRN CC[C@H](C)c1nc([C@H]2CCCCS2)no1 ZINC000334152663 385084623 /nfs/dbraw/zinc/08/46/23/385084623.db2.gz XRPUKQKFIGHTMN-DTWKUNHWSA-N 0 0 226.345 3.541 20 0 BHADRN CC[C@H](C)c1nc([C@@H]2CCCCS2)no1 ZINC000334152664 385083702 /nfs/dbraw/zinc/08/37/02/385083702.db2.gz XRPUKQKFIGHTMN-IUCAKERBSA-N 0 0 226.345 3.541 20 0 BHADRN CC[C@@H](C)c1nc([C@H]2CCCCS2)no1 ZINC000334152665 170806515 /nfs/dbraw/zinc/80/65/15/170806515.db2.gz XRPUKQKFIGHTMN-RKDXNWHRSA-N 0 0 226.345 3.541 20 0 BHADRN CC1=CCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000334153491 168117395 /nfs/dbraw/zinc/11/73/95/168117395.db2.gz OPGWKOJERVQSLD-GFCCVEGCSA-N 0 0 248.370 3.685 20 0 BHADRN CC1=CCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000334153492 168117603 /nfs/dbraw/zinc/11/76/03/168117603.db2.gz OPGWKOJERVQSLD-LBPRGKRZSA-N 0 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135322553 /nfs/dbraw/zinc/32/25/53/135322553.db2.gz AGHUVOPVPNLAFV-UHFFFAOYSA-N 0 0 247.338 3.527 20 0 BHADRN Cc1cnc([C@H](C)Sc2ccncc2C)o1 ZINC000334166462 135323790 /nfs/dbraw/zinc/32/37/90/135323790.db2.gz AHWTXPMKHTYDHN-JTQLQIEISA-N 0 0 234.324 3.540 20 0 BHADRN Cc1cnc([C@@H](C)Sc2ccncc2C)o1 ZINC000334166483 135323665 /nfs/dbraw/zinc/32/36/65/135323665.db2.gz AHWTXPMKHTYDHN-SNVBAGLBSA-N 0 0 234.324 3.540 20 0 BHADRN O=C(CC1CCCC1)N1CC[C@H]1c1ccccc1 ZINC000334173896 133575475 /nfs/dbraw/zinc/57/54/75/133575475.db2.gz BOROTHZITASNPZ-HNNXBMFYSA-N 0 0 243.350 3.540 20 0 BHADRN O=C(CC1CCCC1)N1CC[C@@H]1c1ccccc1 ZINC000334173900 352758942 /nfs/dbraw/zinc/75/89/42/352758942.db2.gz BOROTHZITASNPZ-OAHLLOKOSA-N 0 0 243.350 3.540 20 0 BHADRN CCCc1ccccc1NC(=O)N1CC[C@@H](C)C1 ZINC000334174091 133575950 /nfs/dbraw/zinc/57/59/50/133575950.db2.gz BDZSLVXVAXDEHX-GFCCVEGCSA-N 0 0 246.354 3.513 20 0 BHADRN CCCc1ccccc1NC(=O)N1CC[C@H](C)C1 ZINC000334174113 133575966 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ZFQCMQNQMHPVLE-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN CCN(C(=O)c1ccoc1)c1ccccc1Cl ZINC000334405523 135393951 /nfs/dbraw/zinc/39/39/51/135393951.db2.gz QBNPHUKXUAMKSI-UHFFFAOYSA-N 0 0 249.697 3.600 20 0 BHADRN CC(C)(C(=O)Nc1ccc2cc[nH]c2c1)C1CC1 ZINC000334405571 534378408 /nfs/dbraw/zinc/37/84/08/534378408.db2.gz QCYWVXKQHOJAGP-UHFFFAOYSA-N 0 0 242.322 3.543 20 0 BHADRN Cc1ccncc1[C@@H](C)Nc1cccc(F)c1 ZINC000334410363 135392379 /nfs/dbraw/zinc/39/23/79/135392379.db2.gz MMNSQTDXIODBID-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccncc1[C@H](C)Nc1cccc(F)c1 ZINC000334410364 135392597 /nfs/dbraw/zinc/39/25/97/135392597.db2.gz MMNSQTDXIODBID-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN C[C@H](Sc1cccc(O)c1)c1cccnc1 ZINC000334412023 135395480 /nfs/dbraw/zinc/39/54/80/135395480.db2.gz LNFNMHAFAJCSRT-JTQLQIEISA-N 0 0 231.320 3.641 20 0 BHADRN C[C@@H](Sc1cccc(O)c1)c1cccnc1 ZINC000334412029 135395615 /nfs/dbraw/zinc/39/56/15/135395615.db2.gz LNFNMHAFAJCSRT-SNVBAGLBSA-N 0 0 231.320 3.641 20 0 BHADRN CC(C)N(C)C(=O)Nc1cccc2ccsc21 ZINC000334412479 534980034 /nfs/dbraw/zinc/98/00/34/534980034.db2.gz LESKFEHIZRWODP-UHFFFAOYSA-N 0 0 248.351 3.773 20 0 BHADRN CC(C)c1noc(-c2coc(C3CCCC3)n2)n1 ZINC000334414140 353097000 /nfs/dbraw/zinc/09/70/00/353097000.db2.gz MFUIYAOTSOQLJG-UHFFFAOYSA-N 0 0 247.298 3.506 20 0 BHADRN Cc1ncccc1-c1noc([C@@H](C)C(C)(C)C)n1 ZINC000334418394 353101891 /nfs/dbraw/zinc/10/18/91/353101891.db2.gz PLEVNQGCHWUOFU-SECBINFHSA-N 0 0 245.326 3.590 20 0 BHADRN Cc1ncccc1-c1noc([C@H](C)C(C)(C)C)n1 ZINC000334418399 353102123 /nfs/dbraw/zinc/10/21/23/353102123.db2.gz PLEVNQGCHWUOFU-VIFPVBQESA-N 0 0 245.326 3.590 20 0 BHADRN Cc1cccc(N(C(=O)c2ccco2)C(C)C)c1 ZINC000334420863 386025429 /nfs/dbraw/zinc/02/54/29/386025429.db2.gz ASAMSHNHYXUPFA-UHFFFAOYSA-N 0 0 243.306 3.643 20 0 BHADRN Cc1cccc(C)c1NC(=O)C1CC(C)(C)C1 ZINC000334422365 386027835 /nfs/dbraw/zinc/02/78/35/386027835.db2.gz DRXYENGCIUGQDV-UHFFFAOYSA-N 0 0 231.339 3.678 20 0 BHADRN CCC(C)(C)CC(=O)N1Cc2ccccc2[C@H]1C ZINC000334423667 386030713 /nfs/dbraw/zinc/03/07/13/386030713.db2.gz FTTIBAIDABCDCF-GFCCVEGCSA-N 0 0 245.366 3.916 20 0 BHADRN CCC(C)(C)CC(=O)N1Cc2ccccc2[C@@H]1C ZINC000334423671 386030585 /nfs/dbraw/zinc/03/05/85/386030585.db2.gz FTTIBAIDABCDCF-LBPRGKRZSA-N 0 0 245.366 3.916 20 0 BHADRN CC(C)c1cccnc1NC(=O)C1=CCCCC1 ZINC000334430580 385548547 /nfs/dbraw/zinc/54/85/47/385548547.db2.gz VIIKJYSGMUJWOJ-UHFFFAOYSA-N 0 0 244.338 3.644 20 0 BHADRN O=C(Nc1ccsc1)c1sccc1C1CC1 ZINC000334430663 353105765 /nfs/dbraw/zinc/10/57/65/353105765.db2.gz VKSASRUMMZISJM-UHFFFAOYSA-N 0 0 249.360 3.939 20 0 BHADRN C[C@H](Sc1ccc(O)cc1)c1cccnc1 ZINC000334433276 386052916 /nfs/dbraw/zinc/05/29/16/386052916.db2.gz MGCYMTAWRYCTLV-JTQLQIEISA-N 0 0 231.320 3.641 20 0 BHADRN C[C@@H](Sc1ccc(O)cc1)c1cccnc1 ZINC000334433277 135406574 /nfs/dbraw/zinc/40/65/74/135406574.db2.gz MGCYMTAWRYCTLV-SNVBAGLBSA-N 0 0 231.320 3.641 20 0 BHADRN CCCC1(C(=O)N2Cc3ccccc3[C@H]2C)CC1 ZINC000334435511 386057876 /nfs/dbraw/zinc/05/78/76/386057876.db2.gz ZHBSHWRKAWXIOI-GFCCVEGCSA-N 0 0 243.350 3.670 20 0 BHADRN CCCC1(C(=O)N2Cc3ccccc3[C@@H]2C)CC1 ZINC000334435512 386058149 /nfs/dbraw/zinc/05/81/49/386058149.db2.gz ZHBSHWRKAWXIOI-LBPRGKRZSA-N 0 0 243.350 3.670 20 0 BHADRN CC(C)c1[nH]ccc1C(=O)Nc1ccc(F)cc1 ZINC000334440599 386067671 /nfs/dbraw/zinc/06/76/71/386067671.db2.gz XLBKSGGXRDRSAA-UHFFFAOYSA-N 0 0 246.285 3.530 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccncc2F)cc1 ZINC000334440809 386071684 /nfs/dbraw/zinc/07/16/84/386071684.db2.gz YDGHJCRLQKYTHZ-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccncc2F)cc1 ZINC000334440810 386070881 /nfs/dbraw/zinc/07/08/81/386070881.db2.gz YDGHJCRLQKYTHZ-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN CC(/C=C/c1ccncn1)=C/c1ccccc1 ZINC000334440906 386071306 /nfs/dbraw/zinc/07/13/06/386071306.db2.gz YMAWUBWKGBZFDS-ZXAHDXGASA-N 0 0 222.291 3.593 20 0 BHADRN Cc1cnc(CN2Cc3ccccc3[C@H]2C)s1 ZINC000334443880 386065015 /nfs/dbraw/zinc/06/50/15/386065015.db2.gz MRJXHDNEUZUKLX-LLVKDONJSA-N 0 0 244.363 3.528 20 0 BHADRN Cc1cnc(CN2Cc3ccccc3[C@@H]2C)s1 ZINC000334443881 386066139 /nfs/dbraw/zinc/06/61/39/386066139.db2.gz MRJXHDNEUZUKLX-NSHDSACASA-N 0 0 244.363 3.528 20 0 BHADRN CC(C)CC(=O)Nc1c(F)cc(Cl)cc1F ZINC000334443998 386065868 /nfs/dbraw/zinc/06/58/68/386065868.db2.gz DLIVSEYKCUKCSB-UHFFFAOYSA-N 0 0 247.672 3.603 20 0 BHADRN CSc1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000334450053 386087387 /nfs/dbraw/zinc/08/73/87/386087387.db2.gz RCBIMHSGNWDIBI-UHFFFAOYSA-N 0 0 247.319 3.562 20 0 BHADRN Cc1ccc(C(=O)N2CCCC23CCCCC3)o1 ZINC000334460363 386117684 /nfs/dbraw/zinc/11/76/84/386117684.db2.gz NAIRTBGNEOFKKM-UHFFFAOYSA-N 0 0 247.338 3.527 20 0 BHADRN Cc1ccsc1CN(C)C(=O)C1=CCCCC1 ZINC000334461449 386117155 /nfs/dbraw/zinc/11/71/55/386117155.db2.gz VXYQVCNGJNETMA-UHFFFAOYSA-N 0 0 249.379 3.515 20 0 BHADRN C[C@H](Nc1cccc2ccsc21)[C@@H]1CCOC1 ZINC000334466101 385862122 /nfs/dbraw/zinc/86/21/22/385862122.db2.gz CYNMTMKEIIDIFQ-CMPLNLGQSA-N 0 0 247.363 3.738 20 0 BHADRN C[C@H](Nc1cccc2ccsc21)[C@H]1CCOC1 ZINC000334466102 385863330 /nfs/dbraw/zinc/86/33/30/385863330.db2.gz CYNMTMKEIIDIFQ-JQWIXIFHSA-N 0 0 247.363 3.738 20 0 BHADRN C[C@@H](Nc1cccc2ccsc21)[C@H]1CCOC1 ZINC000334466103 385862780 /nfs/dbraw/zinc/86/27/80/385862780.db2.gz CYNMTMKEIIDIFQ-PWSUYJOCSA-N 0 0 247.363 3.738 20 0 BHADRN C[C@@H](Nc1cccc2ccsc21)[C@@H]1CCOC1 ZINC000334466104 175934090 /nfs/dbraw/zinc/93/40/90/175934090.db2.gz CYNMTMKEIIDIFQ-ZYHUDNBSSA-N 0 0 247.363 3.738 20 0 BHADRN O=C(CC1CCC1)N1CCCC12CCCCC2 ZINC000334467872 384475192 /nfs/dbraw/zinc/47/51/92/384475192.db2.gz XCIFCXCXFXPXRO-UHFFFAOYSA-N 0 0 235.371 3.502 20 0 BHADRN Cc1ccc(-c2nnc(SC3CCC3)o2)cc1 ZINC000334475722 386153011 /nfs/dbraw/zinc/15/30/11/386153011.db2.gz OEBOOFIXKRLWCE-UHFFFAOYSA-N 0 0 246.335 3.690 20 0 BHADRN O=C(Nc1ccsc1Cl)C1CCCC1 ZINC000334491452 135445406 /nfs/dbraw/zinc/44/54/06/135445406.db2.gz HNOUQZOJMAINFG-UHFFFAOYSA-N 0 0 229.732 3.530 20 0 BHADRN Cc1cccc(C)c1NC(=O)N1CC[C@@H]1C(C)C ZINC000334496895 135450716 /nfs/dbraw/zinc/45/07/16/135450716.db2.gz BGJVTTNVRUEOCP-CYBMUJFWSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1cccc(C)c1NC(=O)N1CC[C@H]1C(C)C ZINC000334496905 179041322 /nfs/dbraw/zinc/04/13/22/179041322.db2.gz BGJVTTNVRUEOCP-ZDUSSCGKSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(C)c(NC(=O)N2CC[C@H]2C(C)C)c1 ZINC000334501939 353333390 /nfs/dbraw/zinc/33/33/90/353333390.db2.gz PAZSMTUFKSUWMK-AWEZNQCLSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(C)c(NC(=O)N2CC[C@@H]2C(C)C)c1 ZINC000334501940 353333397 /nfs/dbraw/zinc/33/33/97/353333397.db2.gz PAZSMTUFKSUWMK-CQSZACIVSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccccc1NC(=O)N1CC(C(C)(C)C)C1 ZINC000334508113 353375882 /nfs/dbraw/zinc/37/58/82/353375882.db2.gz SSYGKLUXJQMXFS-UHFFFAOYSA-N 0 0 246.354 3.505 20 0 BHADRN CC(C)(C)c1noc([C@H]2CCCCC2(F)F)n1 ZINC000334528174 353903187 /nfs/dbraw/zinc/90/31/87/353903187.db2.gz ACNWEFXYGWTNMW-MRVPVSSYSA-N 0 0 244.285 3.660 20 0 BHADRN CC(C)(C)c1noc([C@@H]2CCCCC2(F)F)n1 ZINC000334528183 133686748 /nfs/dbraw/zinc/68/67/48/133686748.db2.gz ACNWEFXYGWTNMW-QMMMGPOBSA-N 0 0 244.285 3.660 20 0 BHADRN C[C@H](c1nc(C2CC(F)(F)C2)no1)C(C)(C)C ZINC000334529530 353906165 /nfs/dbraw/zinc/90/61/65/353906165.db2.gz RBTVPIXETVPWKE-SSDOTTSWSA-N 0 0 244.285 3.732 20 0 BHADRN C[C@@H](c1nc(C2CC(F)(F)C2)no1)C(C)(C)C ZINC000334529540 353906141 /nfs/dbraw/zinc/90/61/41/353906141.db2.gz RBTVPIXETVPWKE-ZETCQYMHSA-N 0 0 244.285 3.732 20 0 BHADRN CC[C@@H](C)c1noc([C@@H]2CCCCC2(F)F)n1 ZINC000334533320 353912843 /nfs/dbraw/zinc/91/28/43/353912843.db2.gz WBCDUBPCCCNUOR-BDAKNGLRSA-N 0 0 244.285 3.876 20 0 BHADRN CC[C@H](C)c1noc([C@H]2CCCCC2(F)F)n1 ZINC000334533410 536029802 /nfs/dbraw/zinc/02/98/02/536029802.db2.gz WBCDUBPCCCNUOR-DTWKUNHWSA-N 0 0 244.285 3.876 20 0 BHADRN CC[C@H](C)c1noc([C@@H]2CCCCC2(F)F)n1 ZINC000334533411 536030611 /nfs/dbraw/zinc/03/06/11/536030611.db2.gz WBCDUBPCCCNUOR-IUCAKERBSA-N 0 0 244.285 3.876 20 0 BHADRN CC[C@@H](C)c1noc([C@H]2CCCCC2(F)F)n1 ZINC000334533412 353912750 /nfs/dbraw/zinc/91/27/50/353912750.db2.gz WBCDUBPCCCNUOR-RKDXNWHRSA-N 0 0 244.285 3.876 20 0 BHADRN CC(C)(C)c1ccccc1NC(=O)C1=CCC1 ZINC000334537570 353924904 /nfs/dbraw/zinc/92/49/04/353924904.db2.gz KVUNCTBMIBUASD-UHFFFAOYSA-N 0 0 229.323 3.643 20 0 BHADRN Cc1cccc(C(C)C)c1NC(=O)C1=CCC1 ZINC000334537571 353924990 /nfs/dbraw/zinc/92/49/90/353924990.db2.gz LISZBFZYQAYWKV-UHFFFAOYSA-N 0 0 229.323 3.777 20 0 BHADRN CC1(C(=O)N2CCC[C@@]3(CC=CCC3)C2)CCC1 ZINC000334539072 133693691 /nfs/dbraw/zinc/69/36/91/133693691.db2.gz OONIQMKRDOOJCY-INIZCTEOSA-N 0 0 247.382 3.526 20 0 BHADRN CC1(C(=O)N2CCC[C@]3(CC=CCC3)C2)CCC1 ZINC000334539074 353926738 /nfs/dbraw/zinc/92/67/38/353926738.db2.gz OONIQMKRDOOJCY-MRXNPFEDSA-N 0 0 247.382 3.526 20 0 BHADRN CC1(CC(=O)N2CCC[C@H]2c2ccccc2)CC1 ZINC000334539503 353926946 /nfs/dbraw/zinc/92/69/46/353926946.db2.gz FIUYUBBBSUSBOY-AWEZNQCLSA-N 0 0 243.350 3.540 20 0 BHADRN CC1(CC(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000334539508 353927042 /nfs/dbraw/zinc/92/70/42/353927042.db2.gz FIUYUBBBSUSBOY-CQSZACIVSA-N 0 0 243.350 3.540 20 0 BHADRN Cc1cc(=O)c2sccc2n1CC1CCCC1 ZINC000334539729 133693934 /nfs/dbraw/zinc/69/39/34/133693934.db2.gz KIEIFYQPVOSMNY-UHFFFAOYSA-N 0 0 247.363 3.562 20 0 BHADRN CO[C@@H](C)c1nc(C)c(-c2ccccc2)s1 ZINC000334539887 488040761 /nfs/dbraw/zinc/04/07/61/488040761.db2.gz FHQHGJCIVPXGNX-JTQLQIEISA-N 0 0 233.336 3.826 20 0 BHADRN CO[C@H](C)c1nc(C)c(-c2ccccc2)s1 ZINC000334539890 397947245 /nfs/dbraw/zinc/94/72/45/397947245.db2.gz FHQHGJCIVPXGNX-SNVBAGLBSA-N 0 0 233.336 3.826 20 0 BHADRN C[C@@H](C(=O)Nc1ccsc1Cl)C1CCC1 ZINC000334550455 354018162 /nfs/dbraw/zinc/01/81/62/354018162.db2.gz JSUKVQNAHSWMGI-SSDOTTSWSA-N 0 0 243.759 3.776 20 0 BHADRN C[C@H](C(=O)Nc1ccsc1Cl)C1CCC1 ZINC000334550456 135702604 /nfs/dbraw/zinc/70/26/04/135702604.db2.gz JSUKVQNAHSWMGI-ZETCQYMHSA-N 0 0 243.759 3.776 20 0 BHADRN CC(C)c1occc1C(=O)Nc1ccccc1 ZINC000334553409 353996171 /nfs/dbraw/zinc/99/61/71/353996171.db2.gz 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BHADRN Cc1cnc([C@H](C)Sc2cccc(O)c2)o1 ZINC000334574939 354106002 /nfs/dbraw/zinc/10/60/02/354106002.db2.gz MTTSWLCOVICMON-VIFPVBQESA-N 0 0 235.308 3.542 20 0 BHADRN FC1(F)CCC(CSc2ncco2)CC1 ZINC000334582801 354202987 /nfs/dbraw/zinc/20/29/87/354202987.db2.gz WFYNRTNOXKWGBW-UHFFFAOYSA-N 0 0 233.283 3.592 20 0 BHADRN CCC1(C(=O)N2Cc3ccccc3[C@H]2C)CCC1 ZINC000334584178 354206257 /nfs/dbraw/zinc/20/62/57/354206257.db2.gz WHPOIBNZTWPLMA-GFCCVEGCSA-N 0 0 243.350 3.670 20 0 BHADRN CCC1(C(=O)N2Cc3ccccc3[C@@H]2C)CCC1 ZINC000334584207 354206244 /nfs/dbraw/zinc/20/62/44/354206244.db2.gz WHPOIBNZTWPLMA-LBPRGKRZSA-N 0 0 243.350 3.670 20 0 BHADRN CC1(C)C[C@H](SC2CCCC2)CCO1 ZINC000334586687 354211249 /nfs/dbraw/zinc/21/12/49/354211249.db2.gz KZNKXGMCDRWDLC-LLVKDONJSA-N 0 0 214.374 3.620 20 0 BHADRN CC1(C)C[C@@H](SC2CCCC2)CCO1 ZINC000334586698 354211581 /nfs/dbraw/zinc/21/15/81/354211581.db2.gz KZNKXGMCDRWDLC-NSHDSACASA-N 0 0 214.374 3.620 20 0 BHADRN Cc1nnc([C@@H](C)SC2CCCC2)s1 ZINC000334588149 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243.350 3.543 20 0 BHADRN Cc1ccc([C@H](C)N(C)C(=O)C2=CCC2)c(C)c1 ZINC000334820408 386949164 /nfs/dbraw/zinc/94/91/64/386949164.db2.gz RJZJSBHVRYHFRX-ZDUSSCGKSA-N 0 0 243.350 3.543 20 0 BHADRN C[C@H](c1nc(C2CCCCC2)no1)C(F)(F)F ZINC000334833934 386872592 /nfs/dbraw/zinc/87/25/92/386872592.db2.gz DJCHIBXDIQWBQI-SSDOTTSWSA-N 0 0 248.248 3.783 20 0 BHADRN C[C@@H](c1nc(C2CCCCC2)no1)C(F)(F)F ZINC000334833935 386872366 /nfs/dbraw/zinc/87/23/66/386872366.db2.gz DJCHIBXDIQWBQI-ZETCQYMHSA-N 0 0 248.248 3.783 20 0 BHADRN Cc1c[nH]cc1C(=O)Nc1cc(C)ccc1Cl ZINC000334844305 386890512 /nfs/dbraw/zinc/89/05/12/386890512.db2.gz GECDNCDXZJCQOE-UHFFFAOYSA-N 0 0 248.713 3.537 20 0 BHADRN C[C@@H](c1ccc2c(c1)CCC2)[S@@](=O)C1CCC1 ZINC000334846029 386894207 /nfs/dbraw/zinc/89/42/07/386894207.db2.gz YTBVJSJXZQDEEU-APPDUMDISA-N 0 0 248.391 3.538 20 0 BHADRN C[C@H](c1ccc2c(c1)CCC2)[S@](=O)C1CCC1 ZINC000334846040 135821923 /nfs/dbraw/zinc/82/19/23/135821923.db2.gz YTBVJSJXZQDEEU-DIFFPNOSSA-N 0 0 248.391 3.538 20 0 BHADRN C[C@@H](c1ccc2c(c1)CCC2)[S@](=O)C1CCC1 ZINC000334846042 135822024 /nfs/dbraw/zinc/82/20/24/135822024.db2.gz YTBVJSJXZQDEEU-GTNSWQLSSA-N 0 0 248.391 3.538 20 0 BHADRN C[C@H](c1ccc2c(c1)CCC2)[S@@](=O)C1CCC1 ZINC000334846044 386894877 /nfs/dbraw/zinc/89/48/77/386894877.db2.gz YTBVJSJXZQDEEU-PIGZYNQJSA-N 0 0 248.391 3.538 20 0 BHADRN C[C@@H](c1cccc(Cl)c1)[S@@](=O)C1CCC1 ZINC000334854139 386903842 /nfs/dbraw/zinc/90/38/42/386903842.db2.gz FAYGZVMHHSRTNK-BJOHPYRUSA-N 0 0 242.771 3.702 20 0 BHADRN C[C@H](c1cccc(Cl)c1)[S@](=O)C1CCC1 ZINC000334854140 386904298 /nfs/dbraw/zinc/90/42/98/386904298.db2.gz FAYGZVMHHSRTNK-PSLIRLAXSA-N 0 0 242.771 3.702 20 0 BHADRN C[C@H](c1cccc(Cl)c1)[S@@](=O)C1CCC1 ZINC000334854147 386904389 /nfs/dbraw/zinc/90/43/89/386904389.db2.gz FAYGZVMHHSRTNK-RFAUZJTJSA-N 0 0 242.771 3.702 20 0 BHADRN C[C@@H](c1cccc(Cl)c1)[S@](=O)C1CCC1 ZINC000334854157 386904754 /nfs/dbraw/zinc/90/47/54/386904754.db2.gz FAYGZVMHHSRTNK-VFZGTOFNSA-N 0 0 242.771 3.702 20 0 BHADRN 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386929998 /nfs/dbraw/zinc/92/99/98/386929998.db2.gz JUDJVXQIVWKABU-USYJTPIQSA-N 0 0 242.269 3.786 20 0 BHADRN O=[S@@](Cc1sccc1Cl)C1CCCC1 ZINC000334881871 387026142 /nfs/dbraw/zinc/02/61/42/387026142.db2.gz ZJFXJGHBRVAKGB-AWEZNQCLSA-N 0 0 248.800 3.593 20 0 BHADRN O=[S@](Cc1sccc1Cl)C1CCCC1 ZINC000334881872 387025215 /nfs/dbraw/zinc/02/52/15/387025215.db2.gz ZJFXJGHBRVAKGB-CQSZACIVSA-N 0 0 248.800 3.593 20 0 BHADRN CC1=C(c2nc(C3CC(F)(F)C3)no2)CCC1 ZINC000334882848 535240956 /nfs/dbraw/zinc/24/09/56/535240956.db2.gz SLJJLKUCMOGLOQ-UHFFFAOYSA-N 0 0 240.253 3.540 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H]1CC[C@H](C)C1 ZINC000334885668 135834550 /nfs/dbraw/zinc/83/45/50/135834550.db2.gz LAHPUDNGICGIHN-GWCFXTLKSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000334885674 386958283 /nfs/dbraw/zinc/95/82/83/386958283.db2.gz LAHPUDNGICGIHN-GXFFZTMASA-N 0 0 231.339 3.678 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000334885675 386958420 /nfs/dbraw/zinc/95/84/20/386958420.db2.gz LAHPUDNGICGIHN-MFKMUULPSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000334885676 135834882 /nfs/dbraw/zinc/83/48/82/135834882.db2.gz LAHPUDNGICGIHN-ZWNOBZJWSA-N 0 0 231.339 3.678 20 0 BHADRN Fc1ccc(SCc2ccncc2)cc1 ZINC000334886107 386958289 /nfs/dbraw/zinc/95/82/89/386958289.db2.gz JRBVUTJCJLDNRQ-UHFFFAOYSA-N 0 0 219.284 3.513 20 0 BHADRN FC1(F)CC(c2noc(C3CCCCC3)n2)C1 ZINC000334896478 386968594 /nfs/dbraw/zinc/96/85/94/386968594.db2.gz AXZDPHZTDKKHEA-UHFFFAOYSA-N 0 0 242.269 3.630 20 0 BHADRN CC(C)c1noc([C@H]2C[C@@]2(F)c2ccccc2)n1 ZINC000334906519 386980204 /nfs/dbraw/zinc/98/02/04/386980204.db2.gz NXBPMHKOCNTBHY-BXUZGUMPSA-N 0 0 246.285 3.545 20 0 BHADRN CC(C)c1noc([C@@H]2C[C@]2(F)c2ccccc2)n1 ZINC000334906520 135839021 /nfs/dbraw/zinc/83/90/21/135839021.db2.gz NXBPMHKOCNTBHY-FZMZJTMJSA-N 0 0 246.285 3.545 20 0 BHADRN CC(C)c1noc([C@H]2C[C@]2(F)c2ccccc2)n1 ZINC000334906521 386980222 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LTENADZUBULOHF-KOLCDFICSA-N 0 0 247.363 3.733 20 0 BHADRN Cc1cc(=O)c2sccc2n1[C@@H]1CC[C@@H](C)C1 ZINC000334956414 387035508 /nfs/dbraw/zinc/03/55/08/387035508.db2.gz LTENADZUBULOHF-MWLCHTKSSA-N 0 0 247.363 3.733 20 0 BHADRN Cc1cc(=O)c2sccc2n1[C@H]1CC[C@H](C)C1 ZINC000334956415 387035596 /nfs/dbraw/zinc/03/55/96/387035596.db2.gz LTENADZUBULOHF-ONGXEEELSA-N 0 0 247.363 3.733 20 0 BHADRN CC(C)(F)c1nc(-c2ccsc2Cl)no1 ZINC000334965824 387047535 /nfs/dbraw/zinc/04/75/35/387047535.db2.gz CYEJVBKNVYXILZ-UHFFFAOYSA-N 0 0 246.694 3.656 20 0 BHADRN C[C@H](c1cccs1)c1noc([C@@H]2CC23CC3)n1 ZINC000334975326 135855456 /nfs/dbraw/zinc/85/54/56/135855456.db2.gz QZIGSWHJKLIHOX-BDAKNGLRSA-N 0 0 246.335 3.550 20 0 BHADRN C[C@@H](c1cccs1)c1noc([C@H]2CC23CC3)n1 ZINC000334975327 384431132 /nfs/dbraw/zinc/43/11/32/384431132.db2.gz QZIGSWHJKLIHOX-DTWKUNHWSA-N 0 0 246.335 3.550 20 0 BHADRN C[C@@H](c1cccs1)c1noc([C@@H]2CC23CC3)n1 ZINC000334976155 384431501 /nfs/dbraw/zinc/43/15/01/384431501.db2.gz 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BHADRN CCC1(C(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000335771727 386920124 /nfs/dbraw/zinc/92/01/24/386920124.db2.gz KRYFKLNNAIIGRB-OAHLLOKOSA-N 0 0 247.382 3.526 20 0 BHADRN Cc1cccc(CSc2cccs2)n1 ZINC000335776046 133900500 /nfs/dbraw/zinc/90/05/00/133900500.db2.gz WXWBULIIOVAJCB-UHFFFAOYSA-N 0 0 221.350 3.744 20 0 BHADRN CCC(C)(C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000335780037 355407655 /nfs/dbraw/zinc/40/76/55/355407655.db2.gz BYWQPPMZOXJVSH-UHFFFAOYSA-N 0 0 244.338 3.851 20 0 BHADRN C[C@H](Sc1ccccc1O)c1cccnc1 ZINC000335782920 355430633 /nfs/dbraw/zinc/43/06/33/355430633.db2.gz AZCYGWIUAJEBIN-JTQLQIEISA-N 0 0 231.320 3.641 20 0 BHADRN C[C@@H](Sc1ccccc1O)c1cccnc1 ZINC000335782921 355430672 /nfs/dbraw/zinc/43/06/72/355430672.db2.gz AZCYGWIUAJEBIN-SNVBAGLBSA-N 0 0 231.320 3.641 20 0 BHADRN CC1(CC(=O)Nc2ccsc2Cl)CC1 ZINC000335784520 355433182 /nfs/dbraw/zinc/43/31/82/355433182.db2.gz LDENOCHOHPVZLG-UHFFFAOYSA-N 0 0 229.732 3.530 20 0 BHADRN FC1(F)CC[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000335785913 355435460 /nfs/dbraw/zinc/43/54/60/355435460.db2.gz ZHTRQPBCLLCBRT-SECBINFHSA-N 0 0 242.269 3.630 20 0 BHADRN FC1(F)CC[C@H](c2nc(C3CCCC3)no2)C1 ZINC000335785914 355435545 /nfs/dbraw/zinc/43/55/45/355435545.db2.gz ZHTRQPBCLLCBRT-VIFPVBQESA-N 0 0 242.269 3.630 20 0 BHADRN C[C@@H]1C[C@H](C)N1C(=O)c1cccc2ccsc21 ZINC000335787713 133907103 /nfs/dbraw/zinc/90/71/03/133907103.db2.gz HNSYIRCZJKPSDO-AOOOYVTPSA-N 0 0 245.347 3.524 20 0 BHADRN C[C@@H]1C[C@@H](C)N1C(=O)c1cccc2ccsc21 ZINC000335787714 133907364 /nfs/dbraw/zinc/90/73/64/133907364.db2.gz HNSYIRCZJKPSDO-NXEZZACHSA-N 0 0 245.347 3.524 20 0 BHADRN C[C@H]1C[C@H](C)N1C(=O)c1cccc2ccsc21 ZINC000335787715 355438332 /nfs/dbraw/zinc/43/83/32/355438332.db2.gz HNSYIRCZJKPSDO-UWVGGRQHSA-N 0 0 245.347 3.524 20 0 BHADRN Cc1cnc([C@@H](C)Nc2ccc3c(c2)CCC3)o1 ZINC000335796214 355452408 /nfs/dbraw/zinc/45/24/08/355452408.db2.gz OTZYAVFKPKMDGI-LLVKDONJSA-N 0 0 242.322 3.645 20 0 BHADRN Cc1cnc([C@H](C)Nc2ccc3c(c2)CCC3)o1 ZINC000335796215 355452693 /nfs/dbraw/zinc/45/26/93/355452693.db2.gz OTZYAVFKPKMDGI-NSHDSACASA-N 0 0 242.322 3.645 20 0 BHADRN Cc1cnc([C@H](C)Nc2ccc(C)c(F)c2)o1 ZINC000335796387 133910804 /nfs/dbraw/zinc/91/08/04/133910804.db2.gz WGWMALUTBSCYIE-JTQLQIEISA-N 0 0 234.274 3.604 20 0 BHADRN Cc1cnc([C@@H](C)Nc2ccc(C)c(F)c2)o1 ZINC000335796388 355452593 /nfs/dbraw/zinc/45/25/93/355452593.db2.gz WGWMALUTBSCYIE-SNVBAGLBSA-N 0 0 234.274 3.604 20 0 BHADRN Cc1cnc([C@@H](C)Nc2cc(C)cc(C)c2)o1 ZINC000335796390 133910605 /nfs/dbraw/zinc/91/06/05/133910605.db2.gz WICZOYMPUQQCSI-GFCCVEGCSA-N 0 0 230.311 3.773 20 0 BHADRN Cc1cnc([C@H](C)Nc2cc(C)cc(C)c2)o1 ZINC000335796391 133910552 /nfs/dbraw/zinc/91/05/52/133910552.db2.gz WICZOYMPUQQCSI-LBPRGKRZSA-N 0 0 230.311 3.773 20 0 BHADRN Cc1ccncc1[C@@H](C)Nc1ccc(F)cc1 ZINC000335798261 355455509 /nfs/dbraw/zinc/45/55/09/355455509.db2.gz RZLKNNYJNWNSGV-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1ccncc1[C@H](C)Nc1ccc(F)cc1 ZINC000335798262 355455740 /nfs/dbraw/zinc/45/57/40/355455740.db2.gz RZLKNNYJNWNSGV-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN Cc1nc(C[N@@H+]2CCCC23CCCCC3)oc1C ZINC000335798398 355456552 /nfs/dbraw/zinc/45/65/52/355456552.db2.gz SPKZFBDMGHCIEW-UHFFFAOYSA-N 0 0 248.370 3.590 20 0 BHADRN C[C@@H](Sc1nncs1)c1ccccc1F ZINC000335798512 355456738 /nfs/dbraw/zinc/45/67/38/355456738.db2.gz RWSHMHHZFWKJKQ-SSDOTTSWSA-N 0 0 240.328 3.531 20 0 BHADRN C[C@H](Sc1nncs1)c1ccccc1F ZINC000335798513 355456375 /nfs/dbraw/zinc/45/63/75/355456375.db2.gz RWSHMHHZFWKJKQ-ZETCQYMHSA-N 0 0 240.328 3.531 20 0 BHADRN CCc1cccc(C)c1NC(=O)N1[C@@H](C)C[C@@H]1C ZINC000335800400 355493605 /nfs/dbraw/zinc/49/36/05/355493605.db2.gz PKQJKULWROEKAU-RYUDHWBXSA-N 0 0 246.354 3.572 20 0 BHADRN CCc1cccc(C)c1NC(=O)N1[C@H](C)C[C@@H]1C ZINC000335800401 355493850 /nfs/dbraw/zinc/49/38/50/355493850.db2.gz PKQJKULWROEKAU-TXEJJXNPSA-N 0 0 246.354 3.572 20 0 BHADRN CCc1cccc(C)c1NC(=O)N1[C@H](C)C[C@H]1C ZINC000335800402 355493594 /nfs/dbraw/zinc/49/35/94/355493594.db2.gz PKQJKULWROEKAU-VXGBXAGGSA-N 0 0 246.354 3.572 20 0 BHADRN Cc1ccccc1NC(=O)N1CCCC12CCC2 ZINC000335802239 355471042 /nfs/dbraw/zinc/47/10/42/355471042.db2.gz LDLJNHHIKSLSKG-UHFFFAOYSA-N 0 0 244.338 3.545 20 0 BHADRN CC1=C(C(=O)Nc2ccc3[nH]ccc3c2)CCC1 ZINC000335802748 355471775 /nfs/dbraw/zinc/47/17/75/355471775.db2.gz CJFZCUUBYBPPRP-UHFFFAOYSA-N 0 0 240.306 3.607 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)c1ccoc1 ZINC000335809353 133916782 /nfs/dbraw/zinc/91/67/82/133916782.db2.gz WNRWBWNXKYKYMY-UHFFFAOYSA-N 0 0 243.306 3.680 20 0 BHADRN C[C@@H]1CCCCCN1C(=O)c1ccoc1C1CC1 ZINC000335810077 355485289 /nfs/dbraw/zinc/48/52/89/355485289.db2.gz LWJDWIDRQREQPM-LLVKDONJSA-N 0 0 247.338 3.562 20 0 BHADRN C[C@H]1CCCCCN1C(=O)c1ccoc1C1CC1 ZINC000335810078 355485199 /nfs/dbraw/zinc/48/51/99/355485199.db2.gz LWJDWIDRQREQPM-NSHDSACASA-N 0 0 247.338 3.562 20 0 BHADRN CC1(C)CC(C(=O)Nc2ccsc2Cl)C1 ZINC000335810556 355490705 /nfs/dbraw/zinc/49/07/05/355490705.db2.gz XBZXTPNFEHAZDF-UHFFFAOYSA-N 0 0 243.759 3.776 20 0 BHADRN C[C@H](c1ccc(F)cc1)[S@](=O)C1CCCC1 ZINC000335810754 133919040 /nfs/dbraw/zinc/91/90/40/133919040.db2.gz IIGXVZXDKVSDEL-HWPZZCPQSA-N 0 0 240.343 3.578 20 0 BHADRN C[C@@H](c1ccc(F)cc1)[S@@](=O)C1CCCC1 ZINC000335810755 355495236 /nfs/dbraw/zinc/49/52/36/355495236.db2.gz IIGXVZXDKVSDEL-MGPLVRAMSA-N 0 0 240.343 3.578 20 0 BHADRN C[C@@H](c1ccc(F)cc1)[S@](=O)C1CCCC1 ZINC000335810756 355495444 /nfs/dbraw/zinc/49/54/44/355495444.db2.gz IIGXVZXDKVSDEL-QFYYESIMSA-N 0 0 240.343 3.578 20 0 BHADRN C[C@H](c1ccc(F)cc1)[S@@](=O)C1CCCC1 ZINC000335810757 133918909 /nfs/dbraw/zinc/91/89/09/133918909.db2.gz IIGXVZXDKVSDEL-QLJPJBMISA-N 0 0 240.343 3.578 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)C[C@H]1C[C@H]1C ZINC000335814955 355503677 /nfs/dbraw/zinc/50/36/77/355503677.db2.gz WJWWABSYPPQHDQ-NXEZZACHSA-N 0 0 237.730 3.633 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)C[C@@H]1C[C@@H]1C ZINC000335814956 355503626 /nfs/dbraw/zinc/50/36/26/355503626.db2.gz WJWWABSYPPQHDQ-UWVGGRQHSA-N 0 0 237.730 3.633 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)C[C@H]1C[C@@H]1C ZINC000335814957 133921152 /nfs/dbraw/zinc/92/11/52/133921152.db2.gz WJWWABSYPPQHDQ-VHSXEESVSA-N 0 0 237.730 3.633 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)C[C@@H]1C[C@H]1C ZINC000335814958 355503637 /nfs/dbraw/zinc/50/36/37/355503637.db2.gz WJWWABSYPPQHDQ-ZJUUUORDSA-N 0 0 237.730 3.633 20 0 BHADRN CC(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000335821967 355542187 /nfs/dbraw/zinc/54/21/87/355542187.db2.gz RLOSBFGUKIYZBH-UHFFFAOYSA-N 0 0 229.279 3.522 20 0 BHADRN Cc1ccc(NC(=O)N2CCCC23CCC3)cc1 ZINC000335830433 355557060 /nfs/dbraw/zinc/55/70/60/355557060.db2.gz CIQORTDWFSJQMG-UHFFFAOYSA-N 0 0 244.338 3.545 20 0 BHADRN C[C@@H]1C[C@@H](CNc2ccc3ccoc3c2)CCO1 ZINC000335832703 355559966 /nfs/dbraw/zinc/55/99/66/355559966.db2.gz IIPVDQXXEHBSQY-NEPJUHHUSA-N 0 0 245.322 3.660 20 0 BHADRN C[C@H]1C[C@H](CNc2ccc3ccoc3c2)CCO1 ZINC000335832704 133932232 /nfs/dbraw/zinc/93/22/32/133932232.db2.gz IIPVDQXXEHBSQY-NWDGAFQWSA-N 0 0 245.322 3.660 20 0 BHADRN C[C@H]1C[C@@H](CNc2ccc3ccoc3c2)CCO1 ZINC000335832705 355560087 /nfs/dbraw/zinc/56/00/87/355560087.db2.gz IIPVDQXXEHBSQY-RYUDHWBXSA-N 0 0 245.322 3.660 20 0 BHADRN C[C@@H]1C[C@H](CNc2ccc3ccoc3c2)CCO1 ZINC000335832706 355560022 /nfs/dbraw/zinc/56/00/22/355560022.db2.gz IIPVDQXXEHBSQY-VXGBXAGGSA-N 0 0 245.322 3.660 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1CCCC12CCC2 ZINC000335837544 355566446 /nfs/dbraw/zinc/56/64/46/355566446.db2.gz YOXZZNUZJZYNOS-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1CCCC12CCC2 ZINC000335837545 355566308 /nfs/dbraw/zinc/56/63/08/355566308.db2.gz YOXZZNUZJZYNOS-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC(=O)Nc1c(Cl)ccc(C)c1C ZINC000335841882 133936676 /nfs/dbraw/zinc/93/66/76/133936676.db2.gz KYQPFVUELHTAIY-UHFFFAOYSA-N 0 0 225.719 3.695 20 0 BHADRN Fc1cccc(SCc2cccnc2)c1 ZINC000335842580 136354458 /nfs/dbraw/zinc/35/44/58/136354458.db2.gz BXFBOZSWDWGWHR-UHFFFAOYSA-N 0 0 219.284 3.513 20 0 BHADRN Cc1nc(C)c(-c2csc(C3CCC3)n2)o1 ZINC000335843891 355587249 /nfs/dbraw/zinc/58/72/49/355587249.db2.gz PMGBTNYFYYEMNN-UHFFFAOYSA-N 0 0 234.324 3.682 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1Cc2ccccc2C1 ZINC000335847777 355591570 /nfs/dbraw/zinc/59/15/70/355591570.db2.gz ZUDSSHMNTFIIBF-GFCCVEGCSA-N 0 0 245.366 3.601 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1Cc2ccccc2C1 ZINC000335847779 133937566 /nfs/dbraw/zinc/93/75/66/133937566.db2.gz ZUDSSHMNTFIIBF-LBPRGKRZSA-N 0 0 245.366 3.601 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1Cc2ccccc2[C@H]1C ZINC000335855913 355600332 /nfs/dbraw/zinc/60/03/32/355600332.db2.gz IAODUKZOFSAKIW-CHWSQXEVSA-N 0 0 245.366 3.772 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000335855916 355600488 /nfs/dbraw/zinc/60/04/88/355600488.db2.gz IAODUKZOFSAKIW-OLZOCXBDSA-N 0 0 245.366 3.772 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1Cc2ccccc2[C@H]1C ZINC000335855917 355600315 /nfs/dbraw/zinc/60/03/15/355600315.db2.gz IAODUKZOFSAKIW-QWHCGFSZSA-N 0 0 245.366 3.772 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000335855919 355600405 /nfs/dbraw/zinc/60/04/05/355600405.db2.gz IAODUKZOFSAKIW-STQMWFEESA-N 0 0 245.366 3.772 20 0 BHADRN CCCc1ccccc1NC(=O)N1[C@@H](C)C[C@@H]1C ZINC000335857877 535435441 /nfs/dbraw/zinc/43/54/41/535435441.db2.gz XBQXODWPWXRSLZ-RYUDHWBXSA-N 0 0 246.354 3.654 20 0 BHADRN CCCc1ccccc1NC(=O)N1[C@H](C)C[C@@H]1C ZINC000335857878 535435532 /nfs/dbraw/zinc/43/55/32/535435532.db2.gz XBQXODWPWXRSLZ-TXEJJXNPSA-N 0 0 246.354 3.654 20 0 BHADRN CCCc1ccccc1NC(=O)N1[C@H](C)C[C@H]1C ZINC000335857879 535435377 /nfs/dbraw/zinc/43/53/77/535435377.db2.gz XBQXODWPWXRSLZ-VXGBXAGGSA-N 0 0 246.354 3.654 20 0 BHADRN C1=C(c2nc([C@@H]3CCCCS3)no2)CCC1 ZINC000335861312 533479397 /nfs/dbraw/zinc/47/93/97/533479397.db2.gz DIBVYDLQNKCXJU-JTQLQIEISA-N 0 0 236.340 3.595 20 0 BHADRN C1=C(c2nc([C@H]3CCCCS3)no2)CCC1 ZINC000335861313 355623997 /nfs/dbraw/zinc/62/39/97/355623997.db2.gz DIBVYDLQNKCXJU-SNVBAGLBSA-N 0 0 236.340 3.595 20 0 BHADRN CC(C)c1occc1C(=O)Nc1ccccc1F ZINC000335862141 355624795 /nfs/dbraw/zinc/62/47/95/355624795.db2.gz ONMTVIJDDANJLU-UHFFFAOYSA-N 0 0 247.269 3.794 20 0 BHADRN Cc1cnc([C@H](C)Sc2cccc(F)c2)cn1 ZINC000335863405 355626750 /nfs/dbraw/zinc/62/67/50/355626750.db2.gz PHGVCMBFACWPPC-JTQLQIEISA-N 0 0 248.326 3.777 20 0 BHADRN Cc1cnc([C@@H](C)Sc2cccc(F)c2)cn1 ZINC000335863406 355626920 /nfs/dbraw/zinc/62/69/20/355626920.db2.gz PHGVCMBFACWPPC-SNVBAGLBSA-N 0 0 248.326 3.777 20 0 BHADRN CSC1(C(=O)Nc2ccc(C)cc2C)CCC1 ZINC000335864811 355628250 /nfs/dbraw/zinc/62/82/50/355628250.db2.gz XHJKIOVFXYZNDS-UHFFFAOYSA-N 0 0 249.379 3.528 20 0 BHADRN Cc1ccc(C)c(NC(=O)C(C)(C)C(F)F)c1 ZINC000335865035 355629253 /nfs/dbraw/zinc/62/92/53/355629253.db2.gz CTPXBUKDHXIVOO-UHFFFAOYSA-N 0 0 241.281 3.533 20 0 BHADRN Cc1nc(C)c(-c2csc(C(C)C)n2)o1 ZINC000335866215 133944168 /nfs/dbraw/zinc/94/41/68/133944168.db2.gz UOFKXXPMCDFCTH-UHFFFAOYSA-N 0 0 222.313 3.538 20 0 BHADRN CC(C)c1scnc1NC(=O)c1ccccc1 ZINC000335867362 355631869 /nfs/dbraw/zinc/63/18/69/355631869.db2.gz SMSOJKHQEJPPTQ-UHFFFAOYSA-N 0 0 246.335 3.519 20 0 BHADRN c1sc([C@@H]2CCCOC2)nc1C1CCCC1 ZINC000335868779 344036393 /nfs/dbraw/zinc/03/63/93/344036393.db2.gz CWQHQYJHQCAEGL-LLVKDONJSA-N 0 0 237.368 3.695 20 0 BHADRN c1sc([C@H]2CCCOC2)nc1C1CCCC1 ZINC000335868781 344036554 /nfs/dbraw/zinc/03/65/54/344036554.db2.gz CWQHQYJHQCAEGL-NSHDSACASA-N 0 0 237.368 3.695 20 0 BHADRN CCCC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000335868819 133945736 /nfs/dbraw/zinc/94/57/36/133945736.db2.gz FQXSWIZMLCGOPX-DZGCQCFKSA-N 0 0 245.366 3.581 20 0 BHADRN CCCC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C ZINC000335868821 133945648 /nfs/dbraw/zinc/94/56/48/133945648.db2.gz FQXSWIZMLCGOPX-HIFRSBDPSA-N 0 0 245.366 3.581 20 0 BHADRN CCCC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000335868823 355634575 /nfs/dbraw/zinc/63/45/75/355634575.db2.gz FQXSWIZMLCGOPX-UKRRQHHQSA-N 0 0 245.366 3.581 20 0 BHADRN CCCC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000335868825 133945550 /nfs/dbraw/zinc/94/55/50/133945550.db2.gz FQXSWIZMLCGOPX-ZFWWWQNUSA-N 0 0 245.366 3.581 20 0 BHADRN NC(=O)c1cccc(SC2CCCC2)c1 ZINC000335870905 181206965 /nfs/dbraw/zinc/20/69/65/181206965.db2.gz BFPFZFZSBORCPZ-UHFFFAOYSA-N 0 0 221.325 3.605 20 0 BHADRN CO[C@H](C)c1nc(C2CCCC2)cs1 ZINC000335872758 355639878 /nfs/dbraw/zinc/63/98/78/355639878.db2.gz KAWXXDDDAHDWTH-MRVPVSSYSA-N 0 0 211.330 3.508 20 0 BHADRN CO[C@@H](C)c1nc(C2CCCC2)cs1 ZINC000335872759 355640423 /nfs/dbraw/zinc/64/04/23/355640423.db2.gz KAWXXDDDAHDWTH-QMMMGPOBSA-N 0 0 211.330 3.508 20 0 BHADRN CO[C@H](C)c1nc([C@@H]2Cc3ccccc32)cs1 ZINC000335873001 355640544 /nfs/dbraw/zinc/64/05/44/355640544.db2.gz WPSPIUITTJIBEO-BXKDBHETSA-N 0 0 245.347 3.539 20 0 BHADRN CO[C@@H](C)c1nc([C@H]2Cc3ccccc32)cs1 ZINC000335873002 355640446 /nfs/dbraw/zinc/64/04/46/355640446.db2.gz WPSPIUITTJIBEO-CABZTGNLSA-N 0 0 245.347 3.539 20 0 BHADRN CO[C@@H](C)c1nc([C@@H]2Cc3ccccc32)cs1 ZINC000335873003 355640705 /nfs/dbraw/zinc/64/07/05/355640705.db2.gz WPSPIUITTJIBEO-JOYOIKCWSA-N 0 0 245.347 3.539 20 0 BHADRN CO[C@H](C)c1nc([C@H]2Cc3ccccc32)cs1 ZINC000335873004 355640361 /nfs/dbraw/zinc/64/03/61/355640361.db2.gz WPSPIUITTJIBEO-SKDRFNHKSA-N 0 0 245.347 3.539 20 0 BHADRN CC1=C(C(=O)Nc2ccsc2Cl)CCC1 ZINC000335875064 355644106 /nfs/dbraw/zinc/64/41/06/355644106.db2.gz DKZCWOCJTZMKFK-UHFFFAOYSA-N 0 0 241.743 3.840 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H]1CC12CCCC2 ZINC000335876544 179041750 /nfs/dbraw/zinc/04/17/50/179041750.db2.gz BEODYEWMDDXSLJ-CYBMUJFWSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1CC12CCCC2 ZINC000335876545 179042015 /nfs/dbraw/zinc/04/20/15/179042015.db2.gz BEODYEWMDDXSLJ-ZDUSSCGKSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1cc2cc[nH]c2cc1NC(=O)CC1CCC1 ZINC000335876626 178296426 /nfs/dbraw/zinc/29/64/26/178296426.db2.gz PRGSTMQWCHSUML-UHFFFAOYSA-N 0 0 242.322 3.605 20 0 BHADRN C[C@@H](Sc1ncco1)c1ccccc1F ZINC000335876763 176010268 /nfs/dbraw/zinc/01/02/68/176010268.db2.gz KSDHXWYTJHDDLY-MRVPVSSYSA-N 0 0 223.272 3.667 20 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/nfs/dbraw/zinc/67/45/41/355674541.db2.gz LXCYFZHHUHMWET-NSHDSACASA-N 0 0 230.336 3.638 20 0 BHADRN Cc1cnc([C@H](C)SC2CCCC2)cn1 ZINC000335884131 133950034 /nfs/dbraw/zinc/95/00/34/133950034.db2.gz QAGOBURHVFYRSX-JTQLQIEISA-N 0 0 222.357 3.522 20 0 BHADRN Cc1cnc([C@@H](C)SC2CCCC2)cn1 ZINC000335884132 355674096 /nfs/dbraw/zinc/67/40/96/355674096.db2.gz QAGOBURHVFYRSX-SNVBAGLBSA-N 0 0 222.357 3.522 20 0 BHADRN Fc1cccc(-c2nc(C(F)F)cs2)c1 ZINC000335885439 136357868 /nfs/dbraw/zinc/35/78/68/136357868.db2.gz GXWKCVSPAUCNHW-UHFFFAOYSA-N 0 0 229.226 3.887 20 0 BHADRN COc1ccccc1-c1nc(C(F)F)cs1 ZINC000335885458 136357902 /nfs/dbraw/zinc/35/79/02/136357902.db2.gz HZLDTKGWSQBISC-UHFFFAOYSA-N 0 0 241.262 3.756 20 0 BHADRN Fc1ccc(-c2nc(C(F)F)cs2)cc1 ZINC000335885804 136357908 /nfs/dbraw/zinc/35/79/08/136357908.db2.gz YMITTWAMKRAHHF-UHFFFAOYSA-N 0 0 229.226 3.887 20 0 BHADRN CCSc1nnc(-c2cccc(Cl)c2)o1 ZINC000335891141 136358913 /nfs/dbraw/zinc/35/89/13/136358913.db2.gz DCSIFRVKOQOEJF-UHFFFAOYSA-N 0 0 240.715 3.502 20 0 BHADRN Fc1cccc(SCc2ccncc2)c1 ZINC000335895336 133952722 /nfs/dbraw/zinc/95/27/22/133952722.db2.gz NEGKWGAMNXHGJI-UHFFFAOYSA-N 0 0 219.284 3.513 20 0 BHADRN Cc1nocc1CNc1cccc(Cl)c1C ZINC000335912901 180510579 /nfs/dbraw/zinc/51/05/79/180510579.db2.gz RBFFUDOARNEBTQ-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN O=C(Nc1cccc2ccsc21)N1CCCC1 ZINC000335920777 182373407 /nfs/dbraw/zinc/37/34/07/182373407.db2.gz MQSQMMFAAJUCDU-UHFFFAOYSA-N 0 0 246.335 3.529 20 0 BHADRN Cc1nnc(SC2CCCCC2)n1C(C)C ZINC000335922210 134007627 /nfs/dbraw/zinc/00/76/27/134007627.db2.gz KNHXBGYBMLORBC-UHFFFAOYSA-N 0 0 239.388 3.592 20 0 BHADRN Cc1cccc(NC(=O)c2sccc2F)c1C ZINC000335927497 134009493 /nfs/dbraw/zinc/00/94/93/134009493.db2.gz QEEZSKSCQGZFLH-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN CC(C)c1ccccc1NC(=O)c1cc(F)c[nH]1 ZINC000335928513 134010033 /nfs/dbraw/zinc/01/00/33/134010033.db2.gz XTRPFZRCUAHSND-UHFFFAOYSA-N 0 0 246.285 3.530 20 0 BHADRN Cc1c[nH]cc1C(=O)Nc1ccccc1C(C)C ZINC000335932837 134011255 /nfs/dbraw/zinc/01/12/55/134011255.db2.gz MQCWXXWKOPAKIA-UHFFFAOYSA-N 0 0 242.322 3.699 20 0 BHADRN Cc1c(Cl)cc(F)c(NC(=O)C(C)C)c1F ZINC000335933595 134011760 /nfs/dbraw/zinc/01/17/60/134011760.db2.gz XNDKDSBHTZCZGT-UHFFFAOYSA-N 0 0 247.672 3.521 20 0 BHADRN FC(c1nc(-c2ccoc2)no1)=C1CCCC1 ZINC000335934040 134011925 /nfs/dbraw/zinc/01/19/25/134011925.db2.gz MLQNKZQEGWJALC-UHFFFAOYSA-N 0 0 234.230 3.584 20 0 BHADRN CCN(C(=O)c1ccoc1)c1cccc(Cl)c1 ZINC000335939069 134013481 /nfs/dbraw/zinc/01/34/81/134013481.db2.gz MLSOUTIPZLDESC-UHFFFAOYSA-N 0 0 249.697 3.600 20 0 BHADRN Cc1cccc(C)c1NC(=O)NC(C)(C)C1CC1 ZINC000335940011 134014476 /nfs/dbraw/zinc/01/44/76/134014476.db2.gz UXQCJQJHIVVZKT-UHFFFAOYSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1cc(CSc2cc(F)ccc2F)on1 ZINC000335946717 134020632 /nfs/dbraw/zinc/02/06/32/134020632.db2.gz HOMTUJSJWQRKPY-UHFFFAOYSA-N 0 0 241.262 3.554 20 0 BHADRN Cc1cnc([C@@H](C)Sc2ccc(O)cc2)o1 ZINC000335946847 134020715 /nfs/dbraw/zinc/02/07/15/134020715.db2.gz ZQFTZVFIXOIZOW-SECBINFHSA-N 0 0 235.308 3.542 20 0 BHADRN Cc1cnc([C@H](C)Sc2ccc(O)cc2)o1 ZINC000335946848 134020262 /nfs/dbraw/zinc/02/02/62/134020262.db2.gz ZQFTZVFIXOIZOW-VIFPVBQESA-N 0 0 235.308 3.542 20 0 BHADRN Cc1cnc([C@H](C)N2Cc3ccccc3[C@H]2C)o1 ZINC000335947542 134020534 /nfs/dbraw/zinc/02/05/34/134020534.db2.gz ZFIYJTAZSACAST-NEPJUHHUSA-N 0 0 242.322 3.621 20 0 BHADRN Cc1cnc([C@@H](C)N2Cc3ccccc3[C@@H]2C)o1 ZINC000335947543 134020694 /nfs/dbraw/zinc/02/06/94/134020694.db2.gz ZFIYJTAZSACAST-NWDGAFQWSA-N 0 0 242.322 3.621 20 0 BHADRN Cc1cnc([C@H](C)N2Cc3ccccc3[C@@H]2C)o1 ZINC000335947544 134020259 /nfs/dbraw/zinc/02/02/59/134020259.db2.gz ZFIYJTAZSACAST-RYUDHWBXSA-N 0 0 242.322 3.621 20 0 BHADRN Cc1cnc([C@@H](C)N2Cc3ccccc3[C@H]2C)o1 ZINC000335947545 134020612 /nfs/dbraw/zinc/02/06/12/134020612.db2.gz ZFIYJTAZSACAST-VXGBXAGGSA-N 0 0 242.322 3.621 20 0 BHADRN Cc1cnc([C@@H](C)Sc2ccc(F)cc2)o1 ZINC000335948593 134020917 /nfs/dbraw/zinc/02/09/17/134020917.db2.gz YVHAIJDDANYICR-SECBINFHSA-N 0 0 237.299 3.975 20 0 BHADRN Cc1cnc([C@H](C)Sc2ccc(F)cc2)o1 ZINC000335948594 134020854 /nfs/dbraw/zinc/02/08/54/134020854.db2.gz YVHAIJDDANYICR-VIFPVBQESA-N 0 0 237.299 3.975 20 0 BHADRN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1=CCC1 ZINC000335949201 134021333 /nfs/dbraw/zinc/02/13/33/134021333.db2.gz DUEZKIPJNZWRTL-JTQLQIEISA-N 0 0 249.741 3.580 20 0 BHADRN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1=CCC1 ZINC000335949202 134021168 /nfs/dbraw/zinc/02/11/68/134021168.db2.gz DUEZKIPJNZWRTL-SNVBAGLBSA-N 0 0 249.741 3.580 20 0 BHADRN CSc1cccc(NC(=O)c2ccco2)c1C ZINC000335951203 134021673 /nfs/dbraw/zinc/02/16/73/134021673.db2.gz GTJGKVLSQZHWDH-UHFFFAOYSA-N 0 0 247.319 3.562 20 0 BHADRN c1ccc2c(c1)CCC[C@H]2Sc1cccnn1 ZINC000335951703 134021759 /nfs/dbraw/zinc/02/17/59/134021759.db2.gz KQHWAJIOLMFLJA-CYBMUJFWSA-N 0 0 242.347 3.646 20 0 BHADRN c1ccc2c(c1)CCC[C@@H]2Sc1cccnn1 ZINC000335951704 134021658 /nfs/dbraw/zinc/02/16/58/134021658.db2.gz KQHWAJIOLMFLJA-ZDUSSCGKSA-N 0 0 242.347 3.646 20 0 BHADRN c1cc2cccc(NCC3=CCCOC3)c2s1 ZINC000335956759 384737479 /nfs/dbraw/zinc/73/74/79/384737479.db2.gz VSVGMIJUPDGZFO-UHFFFAOYSA-N 0 0 245.347 3.660 20 0 BHADRN O=C(Nc1ccccc1F)c1ccoc1C1CC1 ZINC000335956830 134023462 /nfs/dbraw/zinc/02/34/62/134023462.db2.gz IWKKXROESNNGEB-UHFFFAOYSA-N 0 0 245.253 3.548 20 0 BHADRN Cc1cnc([C@@H](C)Nc2ccc(C)c(C)c2)o1 ZINC000335960115 134026348 /nfs/dbraw/zinc/02/63/48/134026348.db2.gz UMFOQPCRLMHQAV-GFCCVEGCSA-N 0 0 230.311 3.773 20 0 BHADRN Cc1cnc([C@H](C)Nc2ccc(C)c(C)c2)o1 ZINC000335960116 134026710 /nfs/dbraw/zinc/02/67/10/134026710.db2.gz UMFOQPCRLMHQAV-LBPRGKRZSA-N 0 0 230.311 3.773 20 0 BHADRN Cc1csc(-c2ccnc(C(F)(F)F)c2)n1 ZINC000335961066 134027087 /nfs/dbraw/zinc/02/70/87/134027087.db2.gz NFOONGBDCLVZLF-UHFFFAOYSA-N 0 0 244.241 3.532 20 0 BHADRN CCN(C(=O)c1ccco1)c1ccccc1Cl ZINC000335971894 134030083 /nfs/dbraw/zinc/03/00/83/134030083.db2.gz SEFJXOZDKYUTCH-UHFFFAOYSA-N 0 0 249.697 3.600 20 0 BHADRN Cc1cc(=O)c2sccc2n1CCC(C)(C)C ZINC000335975528 134030844 /nfs/dbraw/zinc/03/08/44/134030844.db2.gz KATBZEVUZLLXLV-UHFFFAOYSA-N 0 0 249.379 3.808 20 0 BHADRN C/C=C/c1ccc(NC(=O)c2c[nH]cc2C)cc1 ZINC000335980058 134037179 /nfs/dbraw/zinc/03/71/79/134037179.db2.gz JWCPAJAQDHOQKH-ONEGZZNKSA-N 0 0 240.306 3.609 20 0 BHADRN Cc1cccc([C@@H](C)Sc2cccnn2)c1 ZINC000335981017 134037584 /nfs/dbraw/zinc/03/75/84/134037584.db2.gz YOHGYKJSAUSABW-LLVKDONJSA-N 0 0 230.336 3.638 20 0 BHADRN Cc1cccc([C@H](C)Sc2cccnn2)c1 ZINC000335981018 134037718 /nfs/dbraw/zinc/03/77/18/134037718.db2.gz YOHGYKJSAUSABW-NSHDSACASA-N 0 0 230.336 3.638 20 0 BHADRN Cc1ccc(Cl)cc1N(C)C(=O)c1ccoc1 ZINC000335981555 134037543 /nfs/dbraw/zinc/03/75/43/134037543.db2.gz ZFVKPHKVODLUOR-UHFFFAOYSA-N 0 0 249.697 3.518 20 0 BHADRN Cc1ccccc1[C@@H](C)Sc1cccnn1 ZINC000335982022 134038118 /nfs/dbraw/zinc/03/81/18/134038118.db2.gz BGNHJWGOVJYMTH-LLVKDONJSA-N 0 0 230.336 3.638 20 0 BHADRN Cc1ccccc1[C@H](C)Sc1cccnn1 ZINC000335982023 134038121 /nfs/dbraw/zinc/03/81/21/134038121.db2.gz BGNHJWGOVJYMTH-NSHDSACASA-N 0 0 230.336 3.638 20 0 BHADRN Cc1cscc1NC(=O)C12CCC(CC1)C2 ZINC000335984181 179805730 /nfs/dbraw/zinc/80/57/30/179805730.db2.gz JQRYKILRGRUIRN-UHFFFAOYSA-N 0 0 235.352 3.575 20 0 BHADRN C[C@@H]1c2ccccc2CN1C(=O)C1(C)CCCC1 ZINC000335984933 134038456 /nfs/dbraw/zinc/03/84/56/134038456.db2.gz LRAKACXFMGLEAU-GFCCVEGCSA-N 0 0 243.350 3.670 20 0 BHADRN C[C@H]1c2ccccc2CN1C(=O)C1(C)CCCC1 ZINC000335984934 134038504 /nfs/dbraw/zinc/03/85/04/134038504.db2.gz LRAKACXFMGLEAU-LBPRGKRZSA-N 0 0 243.350 3.670 20 0 BHADRN CCC[C@@H](C)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000335986423 134038864 /nfs/dbraw/zinc/03/88/64/134038864.db2.gz CJHAMHNSHVPCSZ-NEPJUHHUSA-N 0 0 231.339 3.526 20 0 BHADRN CCC[C@H](C)C(=O)N1Cc2ccccc2[C@H]1C ZINC000335986424 134038792 /nfs/dbraw/zinc/03/87/92/134038792.db2.gz CJHAMHNSHVPCSZ-NWDGAFQWSA-N 0 0 231.339 3.526 20 0 BHADRN CCC[C@H](C)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000335986425 134038833 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KFADWWNUGAEUFP-ZIAGYGMSSA-N 0 0 247.382 3.524 20 0 BHADRN Cc1ccc(N[C@H](C)c2cnc(C)cn2)c(C)c1 ZINC000336418466 387245289 /nfs/dbraw/zinc/24/52/89/387245289.db2.gz OECKRKLDOAIOKM-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cnc(C)cn2)c(C)c1 ZINC000336418467 387245234 /nfs/dbraw/zinc/24/52/34/387245234.db2.gz OECKRKLDOAIOKM-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)c2cnc(C)cn2)c1 ZINC000336418532 387244769 /nfs/dbraw/zinc/24/47/69/387244769.db2.gz RFZWRDYLOVDHHO-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)c2cnc(C)cn2)c1 ZINC000336418533 387245444 /nfs/dbraw/zinc/24/54/44/387245444.db2.gz RFZWRDYLOVDHHO-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cnc([C@@H](C)Nc2cccc(C)c2C)cn1 ZINC000336418534 387245138 /nfs/dbraw/zinc/24/51/38/387245138.db2.gz RLKSFSKKGXYVIW-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cnc([C@H](C)Nc2cccc(C)c2C)cn1 ZINC000336418535 387245536 /nfs/dbraw/zinc/24/55/36/387245536.db2.gz RLKSFSKKGXYVIW-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@H]1CC[C@H](C)C1 ZINC000336422605 387252421 /nfs/dbraw/zinc/25/24/21/387252421.db2.gz QIMNSLDJNGBCDR-AAEUAGOBSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@@H]1CC[C@@H](C)C1 ZINC000336422606 387253474 /nfs/dbraw/zinc/25/34/74/387253474.db2.gz QIMNSLDJNGBCDR-DGCLKSJQSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@@H]1CC[C@H](C)C1 ZINC000336422607 387253411 /nfs/dbraw/zinc/25/34/11/387253411.db2.gz QIMNSLDJNGBCDR-WCQYABFASA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@H]1CC[C@@H](C)C1 ZINC000336422608 188055771 /nfs/dbraw/zinc/05/57/71/188055771.db2.gz QIMNSLDJNGBCDR-YPMHNXCESA-N 0 0 246.354 3.647 20 0 BHADRN Cc1cc2cc[nH]c2cc1NC(=O)C1CCCC1 ZINC000336423158 178296460 /nfs/dbraw/zinc/29/64/60/178296460.db2.gz KDELFOUYCCNTHW-UHFFFAOYSA-N 0 0 242.322 3.605 20 0 BHADRN C[C@H]1CC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC000336424512 177192950 /nfs/dbraw/zinc/19/29/50/177192950.db2.gz ZENUPVGFGSXMOD-GXSJLCMTSA-N 0 0 249.379 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C[C@@H]1c2ccccc2CN1C(=O)C1CC(C)(C)C1 ZINC000336445517 383897174 /nfs/dbraw/zinc/89/71/74/383897174.db2.gz IQTUPCIFNWEUPD-LLVKDONJSA-N 0 0 243.350 3.526 20 0 BHADRN C[C@H]1c2ccccc2CN1C(=O)C1CC(C)(C)C1 ZINC000336445518 383898796 /nfs/dbraw/zinc/89/87/96/383898796.db2.gz IQTUPCIFNWEUPD-NSHDSACASA-N 0 0 243.350 3.526 20 0 BHADRN Cc1cc([C@H](C)Nc2ccc(C)c(F)c2)no1 ZINC000336445725 178260149 /nfs/dbraw/zinc/26/01/49/178260149.db2.gz YQUIMCXYQQPRRM-JTQLQIEISA-N 0 0 234.274 3.604 20 0 BHADRN Cc1cc([C@@H](C)Nc2ccc(C)c(F)c2)no1 ZINC000336445726 178234584 /nfs/dbraw/zinc/23/45/84/178234584.db2.gz YQUIMCXYQQPRRM-SNVBAGLBSA-N 0 0 234.274 3.604 20 0 BHADRN CC1=C(c2nc([C@@H]3CCCS3)no2)CCC1 ZINC000336446346 537811870 /nfs/dbraw/zinc/81/18/70/537811870.db2.gz SYEXWRINPYTDMA-JTQLQIEISA-N 0 0 236.340 3.595 20 0 BHADRN CC1=C(c2nc([C@H]3CCCS3)no2)CCC1 ZINC000336446347 537811403 /nfs/dbraw/zinc/81/14/03/537811403.db2.gz SYEXWRINPYTDMA-SNVBAGLBSA-N 0 0 236.340 3.595 20 0 BHADRN Fc1ccc(CSc2ccccc2)nc1 ZINC000336450242 387277314 /nfs/dbraw/zinc/27/73/14/387277314.db2.gz BZXIBWWOAKCMLJ-UHFFFAOYSA-N 0 0 219.284 3.513 20 0 BHADRN C(=C/C1CCCCC1)\c1nc([C@@H]2CCCO2)no1 ZINC000336451961 166226052 /nfs/dbraw/zinc/22/60/52/166226052.db2.gz ROSBGPCKIQYIGR-BCPZQOPPSA-N 0 0 248.326 3.515 20 0 BHADRN C(=C/C1CCCCC1)\c1nc([C@H]2CCCO2)no1 ZINC000336451962 166226026 /nfs/dbraw/zinc/22/60/26/166226026.db2.gz ROSBGPCKIQYIGR-IDVQTMNDSA-N 0 0 248.326 3.515 20 0 BHADRN Cc1cccnc1S[C@H](C)c1cccnc1 ZINC000336452356 179396730 /nfs/dbraw/zinc/39/67/30/179396730.db2.gz BAZYDCIUXJKUNK-LLVKDONJSA-N 0 0 230.336 3.638 20 0 BHADRN Cc1cccnc1S[C@@H](C)c1cccnc1 ZINC000336452358 179398217 /nfs/dbraw/zinc/39/82/17/179398217.db2.gz BAZYDCIUXJKUNK-NSHDSACASA-N 0 0 230.336 3.638 20 0 BHADRN CC(=O)Nc1cc(Cl)ccc1-c1ccc(C)o1 ZINC000336457099 187542505 /nfs/dbraw/zinc/54/25/05/187542505.db2.gz UIEXTGWBYAGJMK-UHFFFAOYSA-N 0 0 249.697 3.867 20 0 BHADRN O=[S@@](Cc1cc2ccccc2o1)C1CCCC1 ZINC000336462944 182963180 /nfs/dbraw/zinc/96/31/80/182963180.db2.gz RUOIOGRWIFKUTJ-KRWDZBQOSA-N 0 0 248.347 3.624 20 0 BHADRN O=[S@](Cc1cc2ccccc2o1)C1CCCC1 ZINC000336462945 387292663 /nfs/dbraw/zinc/29/26/63/387292663.db2.gz RUOIOGRWIFKUTJ-QGZVFWFLSA-N 0 0 248.347 3.624 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccc(Cl)cn2)cn1 ZINC000336463077 387292012 /nfs/dbraw/zinc/29/20/12/387292012.db2.gz HJAHSACAZREHHD-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccc(Cl)cn2)cn1 ZINC000336463083 387293415 /nfs/dbraw/zinc/29/34/15/387293415.db2.gz HJAHSACAZREHHD-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN O=C([C@H]1CC=CCC1)N1CCCC2(CCCC2)C1 ZINC000336463512 182633712 /nfs/dbraw/zinc/63/37/12/182633712.db2.gz XGHOMMRHCAQVCQ-AWEZNQCLSA-N 0 0 247.382 3.526 20 0 BHADRN O=C([C@@H]1CC=CCC1)N1CCCC2(CCCC2)C1 ZINC000336463513 383956189 /nfs/dbraw/zinc/95/61/89/383956189.db2.gz XGHOMMRHCAQVCQ-CQSZACIVSA-N 0 0 247.382 3.526 20 0 BHADRN CCC1(C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000336465061 387294813 /nfs/dbraw/zinc/29/48/13/387294813.db2.gz OKKQBNPGGPELTE-UHFFFAOYSA-N 0 0 241.693 3.608 20 0 BHADRN C[C@H]1CCCCCN1C(=O)Nc1ccsc1 ZINC000336465929 383959402 /nfs/dbraw/zinc/95/94/02/383959402.db2.gz WSKYIPFQYXHEPY-JTQLQIEISA-N 0 0 238.356 3.545 20 0 BHADRN C[C@@H]1CCCCCN1C(=O)Nc1ccsc1 ZINC000336465930 188056884 /nfs/dbraw/zinc/05/68/84/188056884.db2.gz WSKYIPFQYXHEPY-SNVBAGLBSA-N 0 0 238.356 3.545 20 0 BHADRN C[C@@H](Nc1ccc(F)cc1)c1ccncc1F ZINC000336469581 387298175 /nfs/dbraw/zinc/29/81/75/387298175.db2.gz FEYMJTWYEWJTDO-SECBINFHSA-N 0 0 234.249 3.533 20 0 BHADRN C[C@H](Nc1ccc(F)cc1)c1ccncc1F ZINC000336469582 176933326 /nfs/dbraw/zinc/93/33/26/176933326.db2.gz FEYMJTWYEWJTDO-VIFPVBQESA-N 0 0 234.249 3.533 20 0 BHADRN Cc1cnc([C@H](C)Sc2ccccc2)o1 ZINC000336470225 387299502 /nfs/dbraw/zinc/29/95/02/387299502.db2.gz XJRVYNGNKRPHDS-JTQLQIEISA-N 0 0 219.309 3.836 20 0 BHADRN Cc1cnc([C@@H](C)Sc2ccccc2)o1 ZINC000336470226 179649956 /nfs/dbraw/zinc/64/99/56/179649956.db2.gz XJRVYNGNKRPHDS-SNVBAGLBSA-N 0 0 219.309 3.836 20 0 BHADRN Cc1cccc(C)c1NC(=O)N1C[C@@H](C)C[C@@H]1C ZINC000336474412 179040811 /nfs/dbraw/zinc/04/08/11/179040811.db2.gz FVTQYCHELWFUCC-GWCFXTLKSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1cccc(C)c1NC(=O)N1C[C@@H](C)C[C@H]1C ZINC000336474413 179040839 /nfs/dbraw/zinc/04/08/39/179040839.db2.gz FVTQYCHELWFUCC-GXFFZTMASA-N 0 0 246.354 3.566 20 0 BHADRN Cc1cccc(C)c1NC(=O)N1C[C@H](C)C[C@@H]1C ZINC000336474414 179041412 /nfs/dbraw/zinc/04/14/12/179041412.db2.gz FVTQYCHELWFUCC-MFKMUULPSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1cccc(C)c1NC(=O)N1C[C@H](C)C[C@H]1C ZINC000336474415 179040383 /nfs/dbraw/zinc/04/03/83/179040383.db2.gz FVTQYCHELWFUCC-ZWNOBZJWSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@H](C)C(C)(C)C ZINC000336474776 188057679 /nfs/dbraw/zinc/05/76/79/188057679.db2.gz ZNNDLVHQQJFFBX-GFCCVEGCSA-N 0 0 248.370 3.893 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000336474777 187368646 /nfs/dbraw/zinc/36/86/46/187368646.db2.gz ZNNDLVHQQJFFBX-LBPRGKRZSA-N 0 0 248.370 3.893 20 0 BHADRN CC[C@@H](C)c1nc([C@@H]2CCCOC2)cs1 ZINC000336476377 170806824 /nfs/dbraw/zinc/80/68/24/170806824.db2.gz SHNFKKOYFCAXQA-NXEZZACHSA-N 0 0 225.357 3.551 20 0 BHADRN CC[C@H](C)c1nc([C@H]2CCCOC2)cs1 ZINC000336476380 387303485 /nfs/dbraw/zinc/30/34/85/387303485.db2.gz SHNFKKOYFCAXQA-UWVGGRQHSA-N 0 0 225.357 3.551 20 0 BHADRN CC[C@H](C)c1nc([C@@H]2CCCOC2)cs1 ZINC000336476381 387304501 /nfs/dbraw/zinc/30/45/01/387304501.db2.gz SHNFKKOYFCAXQA-VHSXEESVSA-N 0 0 225.357 3.551 20 0 BHADRN CC[C@@H](C)c1nc([C@H]2CCCOC2)cs1 ZINC000336476383 387303730 /nfs/dbraw/zinc/30/37/30/387303730.db2.gz SHNFKKOYFCAXQA-ZJUUUORDSA-N 0 0 225.357 3.551 20 0 BHADRN C[C@@H]1C[C@H](C)N1C(=O)c1ccc2sccc2c1 ZINC000336481568 177319776 /nfs/dbraw/zinc/31/97/76/177319776.db2.gz GZNYJOCFMGDEMP-AOOOYVTPSA-N 0 0 245.347 3.524 20 0 BHADRN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc2sccc2c1 ZINC000336481569 176363713 /nfs/dbraw/zinc/36/37/13/176363713.db2.gz GZNYJOCFMGDEMP-NXEZZACHSA-N 0 0 245.347 3.524 20 0 BHADRN C[C@H]1C[C@H](C)N1C(=O)c1ccc2sccc2c1 ZINC000336481570 177360700 /nfs/dbraw/zinc/36/07/00/177360700.db2.gz GZNYJOCFMGDEMP-UWVGGRQHSA-N 0 0 245.347 3.524 20 0 BHADRN Cc1cnc([C@@H](C)Oc2ccccc2Cl)o1 ZINC000336481627 398320249 /nfs/dbraw/zinc/32/02/49/398320249.db2.gz POWCCYQWBXOEAC-SECBINFHSA-N 0 0 237.686 3.776 20 0 BHADRN Cc1cnc([C@H](C)Oc2ccccc2Cl)o1 ZINC000336481637 398320070 /nfs/dbraw/zinc/32/00/70/398320070.db2.gz POWCCYQWBXOEAC-VIFPVBQESA-N 0 0 237.686 3.776 20 0 BHADRN O=C([C@H]1CC=CCC1)N1CCC2(C1)CCCCC2 ZINC000336485106 383995077 /nfs/dbraw/zinc/99/50/77/383995077.db2.gz NDIHFCMUWPZBDU-AWEZNQCLSA-N 0 0 247.382 3.526 20 0 BHADRN O=C([C@@H]1CC=CCC1)N1CCC2(C1)CCCCC2 ZINC000336485107 383995578 /nfs/dbraw/zinc/99/55/78/383995578.db2.gz NDIHFCMUWPZBDU-CQSZACIVSA-N 0 0 247.382 3.526 20 0 BHADRN CCc1occc1C(=O)Nc1cccc(F)c1C ZINC000336487010 172118345 /nfs/dbraw/zinc/11/83/45/172118345.db2.gz QSSYJAYPPMCYJH-UHFFFAOYSA-N 0 0 247.269 3.542 20 0 BHADRN CC(=O)Nc1ccccc1-c1c(F)cccc1F ZINC000336488259 387316907 /nfs/dbraw/zinc/31/69/07/387316907.db2.gz MYYCRJXZJDKSGD-UHFFFAOYSA-N 0 0 247.244 3.590 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccncc2F)c1 ZINC000336489560 179155986 /nfs/dbraw/zinc/15/59/86/179155986.db2.gz JPDVQAWRLHBAAV-LLVKDONJSA-N 0 0 230.286 3.702 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccncc2F)c1 ZINC000336489561 179152794 /nfs/dbraw/zinc/15/27/94/179152794.db2.gz JPDVQAWRLHBAAV-NSHDSACASA-N 0 0 230.286 3.702 20 0 BHADRN CCC1(C(=O)Nc2ccsc2Cl)CCC1 ZINC000336493944 168443692 /nfs/dbraw/zinc/44/36/92/168443692.db2.gz ASKMJHQROGJQNB-UHFFFAOYSA-N 0 0 243.759 3.920 20 0 BHADRN CC(C)c1ccc(C(=O)N2CCC23CCC3)s1 ZINC000336495387 387320841 /nfs/dbraw/zinc/32/08/41/387320841.db2.gz YRGCANBLYCESLE-UHFFFAOYSA-N 0 0 249.379 3.640 20 0 BHADRN C[C@@H](SC1CCC(C)(C)CC1)C(N)=O ZINC000336497616 176007564 /nfs/dbraw/zinc/00/75/64/176007564.db2.gz NJVWJLPOUROHJR-MRVPVSSYSA-N 0 0 215.362 3.612 20 0 BHADRN C[C@H](SC1CCC(C)(C)CC1)C(N)=O ZINC000336497617 177026383 /nfs/dbraw/zinc/02/63/83/177026383.db2.gz NJVWJLPOUROHJR-QMMMGPOBSA-N 0 0 215.362 3.612 20 0 BHADRN CC[C@@H](C)CC(=O)N1Cc2ccccc2[C@@H]1C ZINC000336499700 411252272 /nfs/dbraw/zinc/25/22/72/411252272.db2.gz SWENYDRTXZHNIU-NEPJUHHUSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@H](C)CC(=O)N1Cc2ccccc2[C@H]1C ZINC000336499701 171259097 /nfs/dbraw/zinc/25/90/97/171259097.db2.gz SWENYDRTXZHNIU-NWDGAFQWSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@H](C)CC(=O)N1Cc2ccccc2[C@@H]1C ZINC000336499702 171259249 /nfs/dbraw/zinc/25/92/49/171259249.db2.gz SWENYDRTXZHNIU-RYUDHWBXSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@@H](C)CC(=O)N1Cc2ccccc2[C@H]1C ZINC000336499703 398321204 /nfs/dbraw/zinc/32/12/04/398321204.db2.gz SWENYDRTXZHNIU-VXGBXAGGSA-N 0 0 231.339 3.526 20 0 BHADRN O=C(C1=CCCC1)N1CCC[C@@H]1c1cccs1 ZINC000336501465 387327603 /nfs/dbraw/zinc/32/76/03/387327603.db2.gz IXLLGHOAKIJGDK-GFCCVEGCSA-N 0 0 247.363 3.522 20 0 BHADRN O=C(C1=CCCC1)N1CCC[C@H]1c1cccs1 ZINC000336501466 181856676 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ROHBBROOZWXOFW-UHFFFAOYSA-N 0 0 247.269 3.542 20 0 BHADRN NC(=O)c1c(F)cccc1Sc1ccccc1 ZINC000336524388 181206907 /nfs/dbraw/zinc/20/69/07/181206907.db2.gz CUQYGPXIFHPKHC-UHFFFAOYSA-N 0 0 247.294 3.860 20 0 BHADRN C[C@@H](Sc1ncco1)c1cccc(F)c1 ZINC000336525567 176010462 /nfs/dbraw/zinc/01/04/62/176010462.db2.gz JDHUJKOHGMMKOZ-MRVPVSSYSA-N 0 0 223.272 3.667 20 0 BHADRN C[C@H](Sc1ncco1)c1cccc(F)c1 ZINC000336525568 177030217 /nfs/dbraw/zinc/03/02/17/177030217.db2.gz JDHUJKOHGMMKOZ-QMMMGPOBSA-N 0 0 223.272 3.667 20 0 BHADRN Cc1cnc([C@H](C)Sc2ccccc2F)cn1 ZINC000336529085 387352845 /nfs/dbraw/zinc/35/28/45/387352845.db2.gz RYBNWMKOEDCHCR-JTQLQIEISA-N 0 0 248.326 3.777 20 0 BHADRN Cc1cnc([C@@H](C)Sc2ccccc2F)cn1 ZINC000336529087 179650124 /nfs/dbraw/zinc/65/01/24/179650124.db2.gz RYBNWMKOEDCHCR-SNVBAGLBSA-N 0 0 248.326 3.777 20 0 BHADRN CC(C)[C@H](C)CC(=O)N1Cc2ccccc2[C@H]1C ZINC000336535601 188057659 /nfs/dbraw/zinc/05/76/59/188057659.db2.gz MACJINGYNNRGDH-CHWSQXEVSA-N 0 0 245.366 3.772 20 0 BHADRN CC(C)[C@H](C)CC(=O)N1Cc2ccccc2[C@@H]1C ZINC000336535602 188592619 /nfs/dbraw/zinc/59/26/19/188592619.db2.gz MACJINGYNNRGDH-OLZOCXBDSA-N 0 0 245.366 3.772 20 0 BHADRN CC(C)[C@@H](C)CC(=O)N1Cc2ccccc2[C@H]1C ZINC000336535603 167355318 /nfs/dbraw/zinc/35/53/18/167355318.db2.gz MACJINGYNNRGDH-QWHCGFSZSA-N 0 0 245.366 3.772 20 0 BHADRN CC(C)[C@@H](C)CC(=O)N1Cc2ccccc2[C@@H]1C ZINC000336535604 167356503 /nfs/dbraw/zinc/35/65/03/167356503.db2.gz MACJINGYNNRGDH-STQMWFEESA-N 0 0 245.366 3.772 20 0 BHADRN Cc1cnc([C@H](C)Nc2ccc(Cl)cc2)cn1 ZINC000336540963 387364129 /nfs/dbraw/zinc/36/41/29/387364129.db2.gz MHCGAGONCPKQID-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1cnc([C@@H](C)Nc2ccc(Cl)cc2)cn1 ZINC000336540964 387363800 /nfs/dbraw/zinc/36/38/00/387363800.db2.gz MHCGAGONCPKQID-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN NC(=O)c1cccc(F)c1Sc1ccccc1 ZINC000336547144 181206776 /nfs/dbraw/zinc/20/67/76/181206776.db2.gz LNKOGBVBSKZLCR-UHFFFAOYSA-N 0 0 247.294 3.860 20 0 BHADRN 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ZINC000336568801 179224510 /nfs/dbraw/zinc/22/45/10/179224510.db2.gz LVWMEVHBBAYQIX-NXEZZACHSA-N 0 0 203.285 3.511 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@H]2CC(N)=O ZINC000336568802 179222702 /nfs/dbraw/zinc/22/27/02/179222702.db2.gz LVWMEVHBBAYQIX-UWVGGRQHSA-N 0 0 203.285 3.511 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@@H]2CC(N)=O ZINC000336568803 179222959 /nfs/dbraw/zinc/22/29/59/179222959.db2.gz LVWMEVHBBAYQIX-VHSXEESVSA-N 0 0 203.285 3.511 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@H]2CC(N)=O ZINC000336568804 179223816 /nfs/dbraw/zinc/22/38/16/179223816.db2.gz LVWMEVHBBAYQIX-ZJUUUORDSA-N 0 0 203.285 3.511 20 0 BHADRN FC(F)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000336570755 180909405 /nfs/dbraw/zinc/90/94/05/180909405.db2.gz BCOWLOPOTJKARC-UHFFFAOYSA-N 0 0 236.221 3.552 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)C2=CCC2)c1C ZINC000336570897 387395056 /nfs/dbraw/zinc/39/50/56/387395056.db2.gz VCQIWAQNMALMAD-UHFFFAOYSA-N 0 0 235.714 3.616 20 0 BHADRN O=C(Nc1ccccc1)c1cc[nH]c1C1CCC1 ZINC000336572060 182377378 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DRFZTDOWSKLNKO-UHFFFAOYSA-N 0 0 244.338 3.644 20 0 BHADRN CS[C@H](C)c1nc(-c2sccc2C)no1 ZINC000336594876 387418924 /nfs/dbraw/zinc/41/89/24/387418924.db2.gz CMSIRNWIUVKANH-SSDOTTSWSA-N 0 0 240.353 3.531 20 0 BHADRN CS[C@@H](C)c1nc(-c2sccc2C)no1 ZINC000336594877 387419409 /nfs/dbraw/zinc/41/94/09/387419409.db2.gz CMSIRNWIUVKANH-ZETCQYMHSA-N 0 0 240.353 3.531 20 0 BHADRN C[C@@H](Sc1nncs1)c1cccc(F)c1 ZINC000336602259 176011367 /nfs/dbraw/zinc/01/13/67/176011367.db2.gz PYJUUJGWOYSAKG-SSDOTTSWSA-N 0 0 240.328 3.531 20 0 BHADRN C[C@H](Sc1nncs1)c1cccc(F)c1 ZINC000336602260 177030464 /nfs/dbraw/zinc/03/04/64/177030464.db2.gz PYJUUJGWOYSAKG-ZETCQYMHSA-N 0 0 240.328 3.531 20 0 BHADRN CC(C)c1noc(-c2cccc(C(F)F)c2)n1 ZINC000336602956 387447029 /nfs/dbraw/zinc/44/70/29/387447029.db2.gz CWCUUTRLSIKIRO-UHFFFAOYSA-N 0 0 238.237 3.798 20 0 BHADRN CC[C@@]1(C)CCN(C(=O)Nc2ccccc2C)C1 ZINC000336604255 171201484 /nfs/dbraw/zinc/20/14/84/171201484.db2.gz MEYAEIXRSSGXKA-HNNXBMFYSA-N 0 0 246.354 3.649 20 0 BHADRN 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/nfs/dbraw/zinc/46/79/90/388467990.db2.gz XGYOQVXWHIBVGC-UHFFFAOYSA-N 0 0 217.234 3.517 20 0 BHADRN Cc1sccc1CNc1ccccc1N(C)C ZINC000336716500 180566839 /nfs/dbraw/zinc/56/68/39/180566839.db2.gz QCKBASGJBHVGBY-UHFFFAOYSA-N 0 0 246.379 3.735 20 0 BHADRN CSc1ccc(N[C@H]2CCC(C)(C)C2)nc1 ZINC000336719282 385859044 /nfs/dbraw/zinc/85/90/44/385859044.db2.gz YBBQDEQQYWVTKP-JTQLQIEISA-N 0 0 236.384 3.794 20 0 BHADRN CSc1ccc(N[C@@H]2CCC(C)(C)C2)nc1 ZINC000336719322 187231003 /nfs/dbraw/zinc/23/10/03/187231003.db2.gz YBBQDEQQYWVTKP-SNVBAGLBSA-N 0 0 236.384 3.794 20 0 BHADRN CC(C)CSc1cccc2cccnc21 ZINC000336719753 187322904 /nfs/dbraw/zinc/32/29/04/187322904.db2.gz ZCTMVGBNSORDRE-UHFFFAOYSA-N 0 0 217.337 3.983 20 0 BHADRN CSc1cccc(NCc2cc[nH]c2)c1C ZINC000336721372 385909216 /nfs/dbraw/zinc/90/92/16/385909216.db2.gz ZOWCAYQILBHJLU-UHFFFAOYSA-N 0 0 232.352 3.657 20 0 BHADRN CSC1(CNc2cccc(C(F)F)c2)CC1 ZINC000336721379 385910689 /nfs/dbraw/zinc/91/06/89/385910689.db2.gz ZQEWVMKXTXMTDT-UHFFFAOYSA-N 0 0 243.322 3.932 20 0 BHADRN Cc1ncccc1NCc1sccc1Cl ZINC000336721416 180226180 /nfs/dbraw/zinc/22/61/80/180226180.db2.gz DLIZDYVBAZCPNB-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CCC[C@H](C)Nc1cc(C2CC2)ccn1 ZINC000336721477 385911847 /nfs/dbraw/zinc/91/18/47/385911847.db2.gz DQSOWLXBUMRWRD-JTQLQIEISA-N 0 0 204.317 3.560 20 0 BHADRN CCC[C@@H](C)Nc1cc(C2CC2)ccn1 ZINC000336721479 169371728 /nfs/dbraw/zinc/37/17/28/169371728.db2.gz DQSOWLXBUMRWRD-SNVBAGLBSA-N 0 0 204.317 3.560 20 0 BHADRN Cc1sc2ncnc(N[C@@H]3CC[C@H]3C)c2c1C ZINC000336722040 388468984 /nfs/dbraw/zinc/46/89/84/388468984.db2.gz XVDGHEBTCVLNTR-GMSGAONNSA-N 0 0 247.367 3.519 20 0 BHADRN Cc1sc2ncnc(N[C@@H]3CC[C@@H]3C)c2c1C ZINC000336722053 386152054 /nfs/dbraw/zinc/15/20/54/386152054.db2.gz XVDGHEBTCVLNTR-OIBJUYFYSA-N 0 0 247.367 3.519 20 0 BHADRN Cc1sc2ncnc(N[C@H]3CC[C@H]3C)c2c1C ZINC000336722058 388469150 /nfs/dbraw/zinc/46/91/50/388469150.db2.gz XVDGHEBTCVLNTR-XCBNKYQSSA-N 0 0 247.367 3.519 20 0 BHADRN Cc1sc2ncnc(N[C@H]3CC[C@@H]3C)c2c1C ZINC000336722063 388468611 /nfs/dbraw/zinc/46/86/11/388468611.db2.gz XVDGHEBTCVLNTR-XVKPBYJWSA-N 0 0 247.367 3.519 20 0 BHADRN CC[C@@H](NCc1cscn1)c1cccc(C)c1 ZINC000336722934 351233480 /nfs/dbraw/zinc/23/34/80/351233480.db2.gz YMLSWVTYBGUNND-CQSZACIVSA-N 0 0 246.379 3.692 20 0 BHADRN Cc1csc2c1ncnc2N[C@@H]1CCC1(C)C ZINC000336723038 386239662 /nfs/dbraw/zinc/23/96/62/386239662.db2.gz YQPTXIHUYDSYNM-SECBINFHSA-N 0 0 247.367 3.600 20 0 BHADRN Cc1csc2c1ncnc2N[C@H]1CCC1(C)C ZINC000336723054 411414006 /nfs/dbraw/zinc/41/40/06/411414006.db2.gz YQPTXIHUYDSYNM-VIFPVBQESA-N 0 0 247.367 3.600 20 0 BHADRN Cc1sc2nc(C)nc(NCC(C)C)c2c1C ZINC000336724075 180015904 /nfs/dbraw/zinc/01/59/04/180015904.db2.gz UMZMLKRRSVUKPR-UHFFFAOYSA-N 0 0 249.383 3.684 20 0 BHADRN c1ncc(CCSCc2ccccc2)s1 ZINC000336725308 183407196 /nfs/dbraw/zinc/40/71/96/183407196.db2.gz GDJRTWHBZSCQSK-UHFFFAOYSA-N 0 0 235.377 3.619 20 0 BHADRN Fc1ccc(NCC2CC2)cc1C1CC1 ZINC000336728023 386040762 /nfs/dbraw/zinc/04/07/62/386040762.db2.gz HTSUHRYXXLNUDZ-UHFFFAOYSA-N 0 0 205.276 3.525 20 0 BHADRN CSc1ccc(C)c(NCCCCF)c1 ZINC000336728842 187323047 /nfs/dbraw/zinc/32/30/47/187323047.db2.gz INMIIHWZLRERNT-UHFFFAOYSA-N 0 0 227.348 3.879 20 0 BHADRN Cc1cccc(NC2CCC3(CC3)CC2)n1 ZINC000336729222 386102779 /nfs/dbraw/zinc/10/27/79/386102779.db2.gz HPNSZPORQIGTKW-UHFFFAOYSA-N 0 0 216.328 3.525 20 0 BHADRN Cc1cnc(NC2CCC3(CC3)CC2)s1 ZINC000336730146 386173717 /nfs/dbraw/zinc/17/37/17/386173717.db2.gz JTLLTHPSMRXHBP-UHFFFAOYSA-N 0 0 222.357 3.586 20 0 BHADRN CCC1(CNc2nccc(C)c2Cl)CC1 ZINC000336730349 398019621 /nfs/dbraw/zinc/01/96/21/398019621.db2.gz JWEKMGRASLFMKO-UHFFFAOYSA-N 0 0 224.735 3.646 20 0 BHADRN CC[C@@H](F)CNc1ccc(C(C)=O)c(Cl)c1 ZINC000336731098 386308013 /nfs/dbraw/zinc/30/80/13/386308013.db2.gz ITSBRZBXUNMZLJ-SECBINFHSA-N 0 0 243.709 3.703 20 0 BHADRN CC[C@H](F)CNc1ccc(C(C)=O)c(Cl)c1 ZINC000336731100 386307546 /nfs/dbraw/zinc/30/75/46/386307546.db2.gz ITSBRZBXUNMZLJ-VIFPVBQESA-N 0 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CC(C)c1nc([C@@H](C)[NH2+]C2CC(C)C2)cs1 ZINC000336734363 168148119 /nfs/dbraw/zinc/14/81/19/168148119.db2.gz HHNSLVUNWMMYOJ-HSOILSAZSA-N 0 0 238.400 3.716 20 0 BHADRN CC(C)c1nc([C@H](C)[NH2+]C2CC(C)C2)cs1 ZINC000336734364 168146233 /nfs/dbraw/zinc/14/62/33/168146233.db2.gz HHNSLVUNWMMYOJ-YVNMAJEFSA-N 0 0 238.400 3.716 20 0 BHADRN Clc1ccc(CNc2ccc(Cl)cn2)o1 ZINC000336735389 180582997 /nfs/dbraw/zinc/58/29/97/180582997.db2.gz ODRUPXUVYDXSGJ-UHFFFAOYSA-N 0 0 243.093 3.594 20 0 BHADRN CCC[C@@H](CC)Nc1cc(C2CC2)ccn1 ZINC000336735689 169380511 /nfs/dbraw/zinc/38/05/11/169380511.db2.gz LWMPFUTVWJJNHZ-CYBMUJFWSA-N 0 0 218.344 3.950 20 0 BHADRN CCC[C@H](CC)Nc1cc(C2CC2)ccn1 ZINC000336735690 385597551 /nfs/dbraw/zinc/59/75/51/385597551.db2.gz LWMPFUTVWJJNHZ-ZDUSSCGKSA-N 0 0 218.344 3.950 20 0 BHADRN Cc1cc(C)c(NCCCCF)c(C)c1 ZINC000336735852 385718461 /nfs/dbraw/zinc/71/84/61/385718461.db2.gz OSRHDHWDVKJJLG-UHFFFAOYSA-N 0 0 209.308 3.773 20 0 BHADRN CC1(C)CC(Nc2cc(C3CC3)ccn2)C1 ZINC000336735939 385721089 /nfs/dbraw/zinc/72/10/89/385721089.db2.gz IKCUJCZVUNXUKX-UHFFFAOYSA-N 0 0 216.328 3.560 20 0 BHADRN Cc1ccc(NCCOC2CCC2)c(Cl)c1 ZINC000336736029 385730029 /nfs/dbraw/zinc/73/00/29/385730029.db2.gz MEDHZQLKCQHJPE-UHFFFAOYSA-N 0 0 239.746 3.629 20 0 BHADRN FCCCCNc1ccc2ccoc2c1 ZINC000336737131 583416136 /nfs/dbraw/zinc/41/61/36/583416136.db2.gz PTXMLPBAVXIWJS-UHFFFAOYSA-N 0 0 207.248 3.594 20 0 BHADRN CC[C@H](C)n1ncc(NCC(C)(C)C)c1C ZINC000336737293 385757511 /nfs/dbraw/zinc/75/75/11/385757511.db2.gz NGQJYHWSWTXSNN-JTQLQIEISA-N 0 0 223.364 3.621 20 0 BHADRN CC[C@@H](C)n1ncc(NCC(C)(C)C)c1C ZINC000336737299 385758926 /nfs/dbraw/zinc/75/89/26/385758926.db2.gz NGQJYHWSWTXSNN-SNVBAGLBSA-N 0 0 223.364 3.621 20 0 BHADRN Cc1cc(NCC2CC2)ccc1C1CC1 ZINC000336737473 178158531 /nfs/dbraw/zinc/15/85/31/178158531.db2.gz QDOAEJRAWOLALM-UHFFFAOYSA-N 0 0 201.313 3.694 20 0 BHADRN FCCCCNc1c(F)cc(Cl)cc1F ZINC000336737684 385638043 /nfs/dbraw/zinc/63/80/43/385638043.db2.gz QMEXZRKRSLKIPK-UHFFFAOYSA-N 0 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ZINC000336740758 385813462 /nfs/dbraw/zinc/81/34/62/385813462.db2.gz QLIUAWCSRFKHHT-SNVBAGLBSA-N 0 0 225.282 3.863 20 0 BHADRN Cc1ccnc(NC2CCC3(CC3)CC2)c1 ZINC000336741205 188169551 /nfs/dbraw/zinc/16/95/51/188169551.db2.gz QXCBNMZJGCCZTN-UHFFFAOYSA-N 0 0 216.328 3.525 20 0 BHADRN Cc1cccc(NCc2ccsc2Cl)n1 ZINC000336741356 179150825 /nfs/dbraw/zinc/15/08/25/179150825.db2.gz VNAMMTNTQQYTRP-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CCC1CC([NH2+]Cc2nc(C(C)C)cs2)C1 ZINC000336741464 397865584 /nfs/dbraw/zinc/86/55/84/397865584.db2.gz RCPCLWNKLBIDJX-UHFFFAOYSA-N 0 0 238.400 3.545 20 0 BHADRN Cc1cc([C@@H](C)NC2(C(F)F)CC2)c(C)s1 ZINC000336741798 178221669 /nfs/dbraw/zinc/22/16/69/178221669.db2.gz NMUDKWUQHVNTOV-MRVPVSSYSA-N 0 0 245.338 3.813 20 0 BHADRN Cc1cc([C@H](C)NC2(C(F)F)CC2)c(C)s1 ZINC000336741811 178245550 /nfs/dbraw/zinc/24/55/50/178245550.db2.gz NMUDKWUQHVNTOV-QMMMGPOBSA-N 0 0 245.338 3.813 20 0 BHADRN CC[C@@H](N[C@H](C)c1ccon1)c1cccs1 ZINC000336741812 352387783 /nfs/dbraw/zinc/38/77/83/352387783.db2.gz RKPIMGAPLICEMO-NXEZZACHSA-N 0 0 236.340 3.538 20 0 BHADRN CC[C@H](N[C@@H](C)c1ccon1)c1cccs1 ZINC000336741814 385911428 /nfs/dbraw/zinc/91/14/28/385911428.db2.gz RKPIMGAPLICEMO-UWVGGRQHSA-N 0 0 236.340 3.538 20 0 BHADRN CC[C@@H](N[C@@H](C)c1ccon1)c1cccs1 ZINC000336741816 352387704 /nfs/dbraw/zinc/38/77/04/352387704.db2.gz RKPIMGAPLICEMO-VHSXEESVSA-N 0 0 236.340 3.538 20 0 BHADRN CC[C@H](N[C@H](C)c1ccon1)c1cccs1 ZINC000336741817 385911947 /nfs/dbraw/zinc/91/19/47/385911947.db2.gz RKPIMGAPLICEMO-ZJUUUORDSA-N 0 0 236.340 3.538 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cc(C2CC2)ccn1 ZINC000336741830 385911260 /nfs/dbraw/zinc/91/12/60/385911260.db2.gz RKYDFYIWSFLIHH-GHMZBOCLSA-N 0 0 218.344 3.806 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cc(C2CC2)ccn1 ZINC000336741832 385911943 /nfs/dbraw/zinc/91/19/43/385911943.db2.gz RKYDFYIWSFLIHH-MNOVXSKESA-N 0 0 218.344 3.806 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cc(C2CC2)ccn1 ZINC000336741833 171391650 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BHADRN CCCCCSc1nc([C@H](C)OC)ns1 ZINC000337860639 385808832 /nfs/dbraw/zinc/80/88/32/385808832.db2.gz IXRFRQIJJZJXCG-QMMMGPOBSA-N 0 0 246.401 3.528 20 0 BHADRN CCSC[C@@H](OC)c1ccc(Cl)cc1 ZINC000337867929 170644462 /nfs/dbraw/zinc/64/44/62/170644462.db2.gz RUDJROQMGYEWIK-LLVKDONJSA-N 0 0 230.760 3.781 20 0 BHADRN CCSC[C@H](OC)c1ccc(Cl)cc1 ZINC000337868049 385812813 /nfs/dbraw/zinc/81/28/13/385812813.db2.gz RUDJROQMGYEWIK-NSHDSACASA-N 0 0 230.760 3.781 20 0 BHADRN CN(Cc1ccoc1)C(=O)CC1(C)CCCCC1 ZINC000337910216 385825363 /nfs/dbraw/zinc/82/53/63/385825363.db2.gz HKSYCYUIBULJFW-UHFFFAOYSA-N 0 0 249.354 3.599 20 0 BHADRN Cc1cccc(NC(=O)CC2(C)CCCCC2)n1 ZINC000337910327 179126204 /nfs/dbraw/zinc/12/62/04/179126204.db2.gz HVILMAHGWGPSID-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN Cc1ccnc(NC(=O)CC2(C)CCCCC2)c1 ZINC000337915009 385824920 /nfs/dbraw/zinc/82/49/20/385824920.db2.gz OBGZZHYROCBNTE-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN CCC(CC)Sc1nc([C@@H](C)OC)ns1 ZINC000337919202 168397315 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BHADRN CC(=O)[C@H](C)SCC[C@@H]1CCC[C@H](C)C1 ZINC000338413689 188189313 /nfs/dbraw/zinc/18/93/13/188189313.db2.gz XYQQJOZQRVFMEU-DRZSPHRISA-N 0 0 228.401 3.914 20 0 BHADRN CC(=O)[C@H](C)SCC[C@H]1CCC[C@@H](C)C1 ZINC000338413696 323104821 /nfs/dbraw/zinc/10/48/21/323104821.db2.gz XYQQJOZQRVFMEU-KGYLQXTDSA-N 0 0 228.401 3.914 20 0 BHADRN CC(=O)[C@H](C)SCC[C@H]1CCC[C@H](C)C1 ZINC000338413698 188189324 /nfs/dbraw/zinc/18/93/24/188189324.db2.gz XYQQJOZQRVFMEU-WCFLWFBJSA-N 0 0 228.401 3.914 20 0 BHADRN CC(=O)[C@H](C)SCC[C@@H]1CCC[C@@H](C)C1 ZINC000338413699 187327157 /nfs/dbraw/zinc/32/71/57/187327157.db2.gz XYQQJOZQRVFMEU-WXHSDQCUSA-N 0 0 228.401 3.914 20 0 BHADRN CO[C@@H](CSCc1ccco1)c1ccccc1 ZINC000338414340 385995910 /nfs/dbraw/zinc/99/59/10/385995910.db2.gz XNUZDHWYLYIUIV-AWEZNQCLSA-N 0 0 248.347 3.901 20 0 BHADRN CO[C@H](CSCc1ccco1)c1ccccc1 ZINC000338414357 385996724 /nfs/dbraw/zinc/99/67/24/385996724.db2.gz XNUZDHWYLYIUIV-CQSZACIVSA-N 0 0 248.347 3.901 20 0 BHADRN CC1(C)SC[C@@H]1Nc1ccc2ccccc2n1 ZINC000338423947 384869470 /nfs/dbraw/zinc/86/94/70/384869470.db2.gz USSREXKFPVGZNZ-LBPRGKRZSA-N 0 0 244.363 3.541 20 0 BHADRN CC(C)CCCNc1ccc(-n2ccnc2)cc1 ZINC000338424318 386000566 /nfs/dbraw/zinc/00/05/66/386000566.db2.gz WCUQRUJUVZECJQ-UHFFFAOYSA-N 0 0 243.354 3.720 20 0 BHADRN CC(=O)Nc1ccc(C)c(NCCCC(C)C)c1 ZINC000338430246 262912614 /nfs/dbraw/zinc/91/26/14/262912614.db2.gz CFYSITVKTDROLH-UHFFFAOYSA-N 0 0 248.370 3.802 20 0 BHADRN CC(=O)Nc1cccc(NCCCC(C)C)c1C ZINC000338431155 323104913 /nfs/dbraw/zinc/10/49/13/323104913.db2.gz PHFAUZFQNDKMGJ-UHFFFAOYSA-N 0 0 248.370 3.802 20 0 BHADRN CC(=O)N(C)c1ccccc1NCCCC(C)C ZINC000338433608 187673709 /nfs/dbraw/zinc/67/37/09/187673709.db2.gz BFZRYUWBXKFQOI-UHFFFAOYSA-N 0 0 248.370 3.517 20 0 BHADRN CC(C)CCCNc1ccc(N2CCCC2)nc1 ZINC000338433753 384868040 /nfs/dbraw/zinc/86/80/40/384868040.db2.gz AGTAKMPMGLYPKN-UHFFFAOYSA-N 0 0 247.386 3.530 20 0 BHADRN CC(C)CCCNc1cccc(-n2ccnc2)c1 ZINC000338437263 388474688 /nfs/dbraw/zinc/47/46/88/388474688.db2.gz HWEXUJAVJUHJNV-UHFFFAOYSA-N 0 0 243.354 3.720 20 0 BHADRN Cc1c(NCCCC(C)C)cnn1CC(C)C ZINC000338439477 386003039 /nfs/dbraw/zinc/00/30/39/386003039.db2.gz LRSOJRIVSOUXNY-UHFFFAOYSA-N 0 0 237.391 3.696 20 0 BHADRN CC(C)CCCNc1cnn([C@H](C)C2CC2)c1 ZINC000338449226 386006720 /nfs/dbraw/zinc/00/67/20/386006720.db2.gz WOWPDFBUZZGQPA-GFCCVEGCSA-N 0 0 235.375 3.702 20 0 BHADRN CC(C)CCCNc1cnn([C@@H](C)C2CC2)c1 ZINC000338449227 386005695 /nfs/dbraw/zinc/00/56/95/386005695.db2.gz WOWPDFBUZZGQPA-LBPRGKRZSA-N 0 0 235.375 3.702 20 0 BHADRN COC1(CCSc2ccccc2F)CCC1 ZINC000338505442 386023658 /nfs/dbraw/zinc/02/36/58/386023658.db2.gz NYCKRKGTFPTJLR-UHFFFAOYSA-N 0 0 240.343 3.877 20 0 BHADRN COC1(CCSc2ccccc2)CCC1 ZINC000338507775 386027805 /nfs/dbraw/zinc/02/78/05/386027805.db2.gz BIHWCPLCYIGJAB-UHFFFAOYSA-N 0 0 222.353 3.738 20 0 BHADRN COC1(CCSC2CCCC2)CCC1 ZINC000338509439 173992946 /nfs/dbraw/zinc/99/29/46/173992946.db2.gz HFLHWKDTQHQXRL-UHFFFAOYSA-N 0 0 214.374 3.621 20 0 BHADRN CCc1ccc(CSCC(C)C)nc1 ZINC000338509466 386028954 /nfs/dbraw/zinc/02/89/54/386028954.db2.gz HTLUGPDWESJQCC-UHFFFAOYSA-N 0 0 209.358 3.533 20 0 BHADRN COC1(CCSCc2ccccc2)CCC1 ZINC000338511170 386027958 /nfs/dbraw/zinc/02/79/58/386027958.db2.gz PTABMGSIOWFQSC-UHFFFAOYSA-N 0 0 236.380 3.879 20 0 BHADRN COCc1ccc(CSc2ccccn2)cc1 ZINC000338511300 386028515 /nfs/dbraw/zinc/02/85/15/386028515.db2.gz QKJOJQKGFYEZCO-UHFFFAOYSA-N 0 0 245.347 3.520 20 0 BHADRN C[C@@H]1CC(SC2CCCC2)C[C@@H](C)O1 ZINC000338511718 176056151 /nfs/dbraw/zinc/05/61/51/176056151.db2.gz RKRQSNAIGASHOU-NXEZZACHSA-N 0 0 214.374 3.618 20 0 BHADRN C[C@@H]1C[C@@H](SC2CCCC2)C[C@H](C)O1 ZINC000338511720 177374525 /nfs/dbraw/zinc/37/45/25/177374525.db2.gz RKRQSNAIGASHOU-PEGIJTEDSA-N 0 0 214.374 3.618 20 0 BHADRN C[C@H]1CC(SC2CCCC2)C[C@H](C)O1 ZINC000338511721 177066429 /nfs/dbraw/zinc/06/64/29/177066429.db2.gz RKRQSNAIGASHOU-UWVGGRQHSA-N 0 0 214.374 3.618 20 0 BHADRN C[C@@H]1CC(Sc2ccccc2)C[C@@H](C)O1 ZINC000338516775 176056002 /nfs/dbraw/zinc/05/60/02/176056002.db2.gz PVOPNHLMZDKOJD-GHMZBOCLSA-N 0 0 222.353 3.735 20 0 BHADRN C[C@H]1CC(Sc2ccccc2)C[C@H](C)O1 ZINC000338516776 177066013 /nfs/dbraw/zinc/06/60/13/177066013.db2.gz PVOPNHLMZDKOJD-QWRGUYRKSA-N 0 0 222.353 3.735 20 0 BHADRN CCc1ccc(CSCc2ccco2)nc1 ZINC000338517103 386025787 /nfs/dbraw/zinc/02/57/87/386025787.db2.gz QXNDKJIJBLCDRW-UHFFFAOYSA-N 0 0 233.336 3.670 20 0 BHADRN COCc1ccc(CSCc2ccco2)cc1 ZINC000338518024 386029512 /nfs/dbraw/zinc/02/95/12/386029512.db2.gz UTPHSDFDFJQHLJ-UHFFFAOYSA-N 0 0 248.347 3.859 20 0 BHADRN CC(=O)Nc1ccc(S[C@H]2CC[C@H](C)C2)cc1 ZINC000338522860 188189129 /nfs/dbraw/zinc/18/91/29/188189129.db2.gz LDENSEPRPCBHNT-HZMBPMFUSA-N 0 0 249.379 3.926 20 0 BHADRN CC(=O)Nc1ccc(S[C@@H]2CC[C@H](C)C2)cc1 ZINC000338522861 386033319 /nfs/dbraw/zinc/03/33/19/386033319.db2.gz LDENSEPRPCBHNT-IINYFYTJSA-N 0 0 249.379 3.926 20 0 BHADRN CC(=O)Nc1ccc(S[C@@H]2CC[C@@H](C)C2)cc1 ZINC000338522862 187500983 /nfs/dbraw/zinc/50/09/83/187500983.db2.gz LDENSEPRPCBHNT-QMTHXVAHSA-N 0 0 249.379 3.926 20 0 BHADRN CC(=O)Nc1ccc(S[C@H]2CC[C@@H](C)C2)cc1 ZINC000338522863 188189257 /nfs/dbraw/zinc/18/92/57/188189257.db2.gz LDENSEPRPCBHNT-YGRLFVJLSA-N 0 0 249.379 3.926 20 0 BHADRN CO[C@H]1CCC[C@H]1Sc1ccc(F)cc1F ZINC000338533147 174884721 /nfs/dbraw/zinc/88/47/21/174884721.db2.gz KIGYEBYAYBDMOE-CMPLNLGQSA-N 0 0 244.306 3.624 20 0 BHADRN CO[C@H]1CCC[C@@H]1Sc1ccc(F)cc1F ZINC000338533148 386032101 /nfs/dbraw/zinc/03/21/01/386032101.db2.gz KIGYEBYAYBDMOE-JQWIXIFHSA-N 0 0 244.306 3.624 20 0 BHADRN CO[C@@H]1CCC[C@@H]1Sc1ccc(F)cc1F ZINC000338533149 386031903 /nfs/dbraw/zinc/03/19/03/386031903.db2.gz KIGYEBYAYBDMOE-PWSUYJOCSA-N 0 0 244.306 3.624 20 0 BHADRN CO[C@@H]1CCC[C@H]1Sc1ccc(F)cc1F ZINC000338533150 386032664 /nfs/dbraw/zinc/03/26/64/386032664.db2.gz KIGYEBYAYBDMOE-ZYHUDNBSSA-N 0 0 244.306 3.624 20 0 BHADRN CC(C)n1ccnc1S[C@@H]1CC[C@@H](C)C1 ZINC000338539616 386045841 /nfs/dbraw/zinc/04/58/41/386045841.db2.gz HDPDSMBZYRYZIQ-GHMZBOCLSA-N 0 0 224.373 3.745 20 0 BHADRN CC(C)n1ccnc1S[C@H]1CC[C@@H](C)C1 ZINC000338539617 167776722 /nfs/dbraw/zinc/77/67/22/167776722.db2.gz HDPDSMBZYRYZIQ-MNOVXSKESA-N 0 0 224.373 3.745 20 0 BHADRN CC(C)n1ccnc1S[C@H]1CC[C@H](C)C1 ZINC000338539618 167775096 /nfs/dbraw/zinc/77/50/96/167775096.db2.gz HDPDSMBZYRYZIQ-QWRGUYRKSA-N 0 0 224.373 3.745 20 0 BHADRN CC(C)n1ccnc1S[C@@H]1CC[C@H](C)C1 ZINC000338539619 167774968 /nfs/dbraw/zinc/77/49/68/167774968.db2.gz HDPDSMBZYRYZIQ-WDEREUQCSA-N 0 0 224.373 3.745 20 0 BHADRN CN(Cc1sccc1Cl)[C@H]1CC1(C)C ZINC000338540505 386046097 /nfs/dbraw/zinc/04/60/97/386046097.db2.gz NTYDMDPSNSQTRN-JTQLQIEISA-N 0 0 229.776 3.632 20 0 BHADRN CN(Cc1sccc1Cl)[C@@H]1CC1(C)C ZINC000338540506 386046199 /nfs/dbraw/zinc/04/61/99/386046199.db2.gz NTYDMDPSNSQTRN-SNVBAGLBSA-N 0 0 229.776 3.632 20 0 BHADRN C[C@H]1CC[C@@H](Sc2nncc3ccccc32)C1 ZINC000338541824 177194609 /nfs/dbraw/zinc/19/46/09/177194609.db2.gz HZCRMQKKPLBKTB-CMPLNLGQSA-N 0 0 244.363 3.911 20 0 BHADRN C[C@H]1CC[C@H](Sc2nncc3ccccc32)C1 ZINC000338541825 177206067 /nfs/dbraw/zinc/20/60/67/177206067.db2.gz HZCRMQKKPLBKTB-JQWIXIFHSA-N 0 0 244.363 3.911 20 0 BHADRN C[C@@H]1CC[C@H](Sc2nncc3ccccc32)C1 ZINC000338541827 176235720 /nfs/dbraw/zinc/23/57/20/176235720.db2.gz HZCRMQKKPLBKTB-PWSUYJOCSA-N 0 0 244.363 3.911 20 0 BHADRN C[C@@H]1CC[C@@H](Sc2nncc3ccccc32)C1 ZINC000338541829 176214983 /nfs/dbraw/zinc/21/49/83/176214983.db2.gz HZCRMQKKPLBKTB-ZYHUDNBSSA-N 0 0 244.363 3.911 20 0 BHADRN CCc1ccc(CSc2ccc(C)cn2)nc1 ZINC000338545580 386038649 /nfs/dbraw/zinc/03/86/49/386038649.db2.gz AWKFSGXGTGMVBH-UHFFFAOYSA-N 0 0 244.363 3.640 20 0 BHADRN C[C@@H]1CC[C@H](Sc2nnc(C(C)(C)C)o2)C1 ZINC000338546549 176235502 /nfs/dbraw/zinc/23/55/02/176235502.db2.gz NUZWJPVHKRNWFC-BDAKNGLRSA-N 0 0 240.372 3.648 20 0 BHADRN C[C@H]1CC[C@@H](Sc2nnc(C(C)(C)C)o2)C1 ZINC000338546550 177194645 /nfs/dbraw/zinc/19/46/45/177194645.db2.gz NUZWJPVHKRNWFC-DTWKUNHWSA-N 0 0 240.372 3.648 20 0 BHADRN C[C@H]1CC[C@H](Sc2nnc(C(C)(C)C)o2)C1 ZINC000338546551 177205958 /nfs/dbraw/zinc/20/59/58/177205958.db2.gz NUZWJPVHKRNWFC-IUCAKERBSA-N 0 0 240.372 3.648 20 0 BHADRN C[C@@H]1CC[C@@H](Sc2nnc(C(C)(C)C)o2)C1 ZINC000338546552 176215428 /nfs/dbraw/zinc/21/54/28/176215428.db2.gz NUZWJPVHKRNWFC-RKDXNWHRSA-N 0 0 240.372 3.648 20 0 BHADRN CCc1nc(C(C)C)ccc1CSC ZINC000338546566 171949602 /nfs/dbraw/zinc/94/96/02/171949602.db2.gz OEUKMYSDXUWJGK-UHFFFAOYSA-N 0 0 209.358 3.630 20 0 BHADRN C[C@H]1CC(Sc2cccs2)C[C@H](C)O1 ZINC000338546983 177066392 /nfs/dbraw/zinc/06/63/92/177066392.db2.gz RGVPCDJXRSOHGV-IUCAKERBSA-N 0 0 228.382 3.796 20 0 BHADRN C[C@@H]1CC(Sc2cccs2)C[C@@H](C)O1 ZINC000338546984 176056472 /nfs/dbraw/zinc/05/64/72/176056472.db2.gz RGVPCDJXRSOHGV-RKDXNWHRSA-N 0 0 228.382 3.796 20 0 BHADRN CCc1ccc(CSc2ccc(O)cc2)nc1 ZINC000338547434 384936785 /nfs/dbraw/zinc/93/67/85/384936785.db2.gz UJOMRIOIUKNHDE-UHFFFAOYSA-N 0 0 245.347 3.642 20 0 BHADRN C[C@@H]1CC[C@@H](Sc2ccc(O)cc2)C1 ZINC000338548162 176214899 /nfs/dbraw/zinc/21/48/99/176214899.db2.gz ZDJDFGUYOAYZGQ-BXKDBHETSA-N 0 0 208.326 3.673 20 0 BHADRN C[C@H]1CC[C@H](Sc2ccc(O)cc2)C1 ZINC000338548163 177205881 /nfs/dbraw/zinc/20/58/81/177205881.db2.gz ZDJDFGUYOAYZGQ-CABZTGNLSA-N 0 0 208.326 3.673 20 0 BHADRN C[C@H]1CC[C@@H](Sc2ccc(O)cc2)C1 ZINC000338548164 177194642 /nfs/dbraw/zinc/19/46/42/177194642.db2.gz ZDJDFGUYOAYZGQ-JOYOIKCWSA-N 0 0 208.326 3.673 20 0 BHADRN C[C@@H]1CC[C@H](Sc2ccc(O)cc2)C1 ZINC000338548165 176235760 /nfs/dbraw/zinc/23/57/60/176235760.db2.gz ZDJDFGUYOAYZGQ-SKDRFNHKSA-N 0 0 208.326 3.673 20 0 BHADRN CN(Cc1ccoc1)Cc1sccc1Cl ZINC000338548905 386043156 /nfs/dbraw/zinc/04/31/56/386043156.db2.gz ZVCKIESDXNQKTA-UHFFFAOYSA-N 0 0 241.743 3.627 20 0 BHADRN Cc1ccc(S[C@@H]2CC[C@H](C)C2)nc1 ZINC000338548991 386045810 /nfs/dbraw/zinc/04/58/10/386045810.db2.gz KUCYMQKYZRVMPP-GXSJLCMTSA-N 0 0 207.342 3.671 20 0 BHADRN Cc1ccc(S[C@H]2CC[C@@H](C)C2)nc1 ZINC000338548992 178829614 /nfs/dbraw/zinc/82/96/14/178829614.db2.gz KUCYMQKYZRVMPP-KOLCDFICSA-N 0 0 207.342 3.671 20 0 BHADRN Cc1ccc(S[C@@H]2CC[C@@H](C)C2)nc1 ZINC000338548993 178829432 /nfs/dbraw/zinc/82/94/32/178829432.db2.gz KUCYMQKYZRVMPP-MWLCHTKSSA-N 0 0 207.342 3.671 20 0 BHADRN Cc1ccc(S[C@H]2CC[C@H](C)C2)nc1 ZINC000338548994 386046360 /nfs/dbraw/zinc/04/63/60/386046360.db2.gz KUCYMQKYZRVMPP-ONGXEEELSA-N 0 0 207.342 3.671 20 0 BHADRN CCc1ccc(CSc2ccccc2O)nc1 ZINC000338549421 388475574 /nfs/dbraw/zinc/47/55/74/388475574.db2.gz FRICNLLUHFGFKM-UHFFFAOYSA-N 0 0 245.347 3.642 20 0 BHADRN C[C@@H]1CC[C@H](Sc2nnc(C3CC3)s2)C1 ZINC000338553843 176235650 /nfs/dbraw/zinc/23/56/50/176235650.db2.gz BZHQUCMQABCGIF-APPZFPTMSA-N 0 0 240.397 3.696 20 0 BHADRN C[C@H]1CC[C@H](Sc2nnc(C3CC3)s2)C1 ZINC000338553844 177206140 /nfs/dbraw/zinc/20/61/40/177206140.db2.gz BZHQUCMQABCGIF-CBAPKCEASA-N 0 0 240.397 3.696 20 0 BHADRN C[C@H]1CC[C@@H](Sc2nnc(C3CC3)s2)C1 ZINC000338553845 177194629 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ZINC000339368364 172103121 /nfs/dbraw/zinc/10/31/21/172103121.db2.gz QLAISSKVYRLAQB-UHFFFAOYSA-N 0 0 242.731 3.564 20 0 BHADRN CC1(CNC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000339377698 350751742 /nfs/dbraw/zinc/75/17/42/350751742.db2.gz KFJBEXYUVZDFCE-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(CNC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000339377709 167904300 /nfs/dbraw/zinc/90/43/00/167904300.db2.gz KFJBEXYUVZDFCE-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1ncccc1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000339379696 180225242 /nfs/dbraw/zinc/22/52/42/180225242.db2.gz QIKBRXNPIGMRON-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1ncccc1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000339379698 180226220 /nfs/dbraw/zinc/22/62/20/180226220.db2.gz QIKBRXNPIGMRON-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN CC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000339379874 168035625 /nfs/dbraw/zinc/03/56/25/168035625.db2.gz UACAMLMWKDXOIU-BFHYXJOUSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000339379876 168035720 /nfs/dbraw/zinc/03/57/20/168035720.db2.gz UACAMLMWKDXOIU-HZSPNIEDSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000339379878 168035681 /nfs/dbraw/zinc/03/56/81/168035681.db2.gz UACAMLMWKDXOIU-MELADBBJSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000339379880 168035424 /nfs/dbraw/zinc/03/54/24/168035424.db2.gz UACAMLMWKDXOIU-MGPQQGTHSA-N 0 0 249.398 3.509 20 0 BHADRN Cc1sccc1CNc1cccc2c1CCO2 ZINC000339380041 386395713 /nfs/dbraw/zinc/39/57/13/386395713.db2.gz KDVIDCOALCMWNS-UHFFFAOYSA-N 0 0 245.347 3.604 20 0 BHADRN Cc1nocc1CNc1ccc(F)c(C2CC2)c1 ZINC000339387558 180510077 /nfs/dbraw/zinc/51/00/77/180510077.db2.gz LNQRHEAGWKPYIB-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN CCc1nocc1CNc1ccc(F)c(CC)c1 ZINC000339390753 386400317 /nfs/dbraw/zinc/40/03/17/386400317.db2.gz IPQZVABDWIVFKJ-UHFFFAOYSA-N 0 0 248.301 3.551 20 0 BHADRN C/C=C\c1ccc(NCc2conc2C)cc1 ZINC000339399541 386405823 /nfs/dbraw/zinc/40/58/23/386405823.db2.gz HAKANNJZLYOJTE-ARJAWSKDSA-N 0 0 228.295 3.628 20 0 BHADRN C/C=C/c1ccc(NCc2conc2C)cc1 ZINC000339399543 386405889 /nfs/dbraw/zinc/40/58/89/386405889.db2.gz HAKANNJZLYOJTE-ONEGZZNKSA-N 0 0 228.295 3.628 20 0 BHADRN Cc1ccc(CSCc2nccc(C)n2)cc1 ZINC000339410215 386413265 /nfs/dbraw/zinc/41/32/65/386413265.db2.gz HJQHJAQIEXDLHV-UHFFFAOYSA-N 0 0 244.363 3.527 20 0 BHADRN Cc1ccnc(CNc2ccc(C(C)C)cc2)n1 ZINC000339410606 187329041 /nfs/dbraw/zinc/32/90/41/187329041.db2.gz BMIYKYVHSCMNMF-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN CCC(C)(C)CCSCc1nccc(C)n1 ZINC000339411660 168278242 /nfs/dbraw/zinc/27/82/42/168278242.db2.gz INSPSUYBZQDRBI-UHFFFAOYSA-N 0 0 238.400 3.845 20 0 BHADRN Cc1cccc(CSCc2nccc(C)n2)c1 ZINC000339411785 179103578 /nfs/dbraw/zinc/10/35/78/179103578.db2.gz JMBKNYJRRQSQFU-UHFFFAOYSA-N 0 0 244.363 3.527 20 0 BHADRN Cc1ccnc(CS[C@H](C)c2ccccc2)n1 ZINC000339412523 187841415 /nfs/dbraw/zinc/84/14/15/187841415.db2.gz UIYSKJCLALAZBU-GFCCVEGCSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1ccnc(CS[C@@H](C)c2ccccc2)n1 ZINC000339412535 386413724 /nfs/dbraw/zinc/41/37/24/386413724.db2.gz UIYSKJCLALAZBU-LBPRGKRZSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1sccc1CNc1cc(C2CC2)ccn1 ZINC000339413359 386414322 /nfs/dbraw/zinc/41/43/22/386414322.db2.gz WBQDNUNILAUQKC-UHFFFAOYSA-N 0 0 244.363 3.941 20 0 BHADRN CC1(C)CCC[C@@H](c2nc(CC3CC3)no2)C1 ZINC000339413434 350755415 /nfs/dbraw/zinc/75/54/15/350755415.db2.gz NJWPZFIXNIMDSO-LLVKDONJSA-N 0 0 234.343 3.706 20 0 BHADRN CC1(C)CCC[C@H](c2nc(CC3CC3)no2)C1 ZINC000339413437 350754950 /nfs/dbraw/zinc/75/49/50/350754950.db2.gz NJWPZFIXNIMDSO-NSHDSACASA-N 0 0 234.343 3.706 20 0 BHADRN Cc1ccnc(CNc2ccccc2C(C)C)n1 ZINC000339413658 188019328 /nfs/dbraw/zinc/01/93/28/188019328.db2.gz ZADBCOYKNAGGAI-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN C/C(=C\c1ccccc1Cl)c1nc(C)no1 ZINC000339414749 343699254 /nfs/dbraw/zinc/69/92/54/343699254.db2.gz BYMKVMTZCVXVID-BQYQJAHWSA-N 0 0 234.686 3.592 20 0 BHADRN Cc1ccnc(CNc2cccc3ccccc32)n1 ZINC000339416126 386419102 /nfs/dbraw/zinc/41/91/02/386419102.db2.gz KLLGIXLRIPAIII-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CC1(C)CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000339416858 350755142 /nfs/dbraw/zinc/75/51/42/350755142.db2.gz RIAZXLGGNPXTED-JTQLQIEISA-N 0 0 234.343 3.706 20 0 BHADRN CC1(C)CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000339416859 350755167 /nfs/dbraw/zinc/75/51/67/350755167.db2.gz RIAZXLGGNPXTED-SNVBAGLBSA-N 0 0 234.343 3.706 20 0 BHADRN CCc1noc(/C(C)=C/c2ccccc2Cl)n1 ZINC000339417234 172073489 /nfs/dbraw/zinc/07/34/89/172073489.db2.gz IEZFODWHSTWUIC-CMDGGOBGSA-N 0 0 248.713 3.846 20 0 BHADRN CCc1noc(/C(C)=C\c2ccccc2Cl)n1 ZINC000339417236 172074279 /nfs/dbraw/zinc/07/42/79/172074279.db2.gz IEZFODWHSTWUIC-HJWRWDBZSA-N 0 0 248.713 3.846 20 0 BHADRN Cc1ccnc(CSCCC2CCCC2)n1 ZINC000339417276 187329465 /nfs/dbraw/zinc/32/94/65/187329465.db2.gz USPNJFNWYMMKIZ-UHFFFAOYSA-N 0 0 236.384 3.599 20 0 BHADRN CC1(C)CCC[C@H](c2nc(C3CC3)no2)C1 ZINC000339417320 350754700 /nfs/dbraw/zinc/75/47/00/350754700.db2.gz VJRPJBUWMWWRKB-JTQLQIEISA-N 0 0 220.316 3.631 20 0 BHADRN CC1(C)CCC[C@@H](c2nc(C3CC3)no2)C1 ZINC000339417322 350755293 /nfs/dbraw/zinc/75/52/93/350755293.db2.gz VJRPJBUWMWWRKB-SNVBAGLBSA-N 0 0 220.316 3.631 20 0 BHADRN CCc1noc([C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000339417413 172090591 /nfs/dbraw/zinc/09/05/91/172090591.db2.gz RSWHTTAFCHNDNP-GRYCIOLGSA-N 0 0 234.343 3.706 20 0 BHADRN CCc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000339417414 172090033 /nfs/dbraw/zinc/09/00/33/172090033.db2.gz RSWHTTAFCHNDNP-IJLUTSLNSA-N 0 0 234.343 3.706 20 0 BHADRN CCc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000339417415 172090466 /nfs/dbraw/zinc/09/04/66/172090466.db2.gz RSWHTTAFCHNDNP-QJPTWQEYSA-N 0 0 234.343 3.706 20 0 BHADRN CCc1noc([C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000339417416 172090701 /nfs/dbraw/zinc/09/07/01/172090701.db2.gz RSWHTTAFCHNDNP-SDDRHHMPSA-N 0 0 234.343 3.706 20 0 BHADRN Cc1ccnc(NC(=O)[C@@H]2CCCC(C)(C)C2)c1 ZINC000339421607 179439023 /nfs/dbraw/zinc/43/90/23/179439023.db2.gz CUQVCEUDBFLVQE-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1ccnc(NC(=O)[C@H]2CCCC(C)(C)C2)c1 ZINC000339421609 386422327 /nfs/dbraw/zinc/42/23/27/386422327.db2.gz CUQVCEUDBFLVQE-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCCC(C)(C)C2)n1 ZINC000339423377 179138936 /nfs/dbraw/zinc/13/89/36/179138936.db2.gz BAWNAMXMXCDNEJ-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCCC(C)(C)C2)n1 ZINC000339423378 179140090 /nfs/dbraw/zinc/14/00/90/179140090.db2.gz BAWNAMXMXCDNEJ-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCCC(C)(C)C2)nc1 ZINC000339423701 386422155 /nfs/dbraw/zinc/42/21/55/386422155.db2.gz NOYCSJSXFBCLBY-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCCC(C)(C)C2)nc1 ZINC000339423702 386421678 /nfs/dbraw/zinc/42/16/78/386421678.db2.gz NOYCSJSXFBCLBY-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1sccc1CNc1cccc(C2CC2)n1 ZINC000339427056 386421436 /nfs/dbraw/zinc/42/14/36/386421436.db2.gz DBSNZGPCPIDKIF-UHFFFAOYSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1cccc(CNc2cccc(C3CC3)n2)c1 ZINC000339427092 188192606 /nfs/dbraw/zinc/19/26/06/188192606.db2.gz DNJNUHLVFDCKQG-UHFFFAOYSA-N 0 0 238.334 3.880 20 0 BHADRN c1cc(NC[C@@H]2CC=CCC2)nc(C2CC2)c1 ZINC000339427173 188019186 /nfs/dbraw/zinc/01/91/86/188019186.db2.gz FHKXMMHCDCLNHS-GFCCVEGCSA-N 0 0 228.339 3.727 20 0 BHADRN c1cc(NC[C@H]2CC=CCC2)nc(C2CC2)c1 ZINC000339427176 386422496 /nfs/dbraw/zinc/42/24/96/386422496.db2.gz FHKXMMHCDCLNHS-LBPRGKRZSA-N 0 0 228.339 3.727 20 0 BHADRN c1ccc(CNc2cccc(C3CC3)n2)cc1 ZINC000339427197 386420829 /nfs/dbraw/zinc/42/08/29/386420829.db2.gz FPUUSBJQMXPRBC-UHFFFAOYSA-N 0 0 224.307 3.571 20 0 BHADRN Cc1ccc(CNc2cccc(C3CC3)n2)s1 ZINC000339428548 386420470 /nfs/dbraw/zinc/42/04/70/386420470.db2.gz LRMQHLANLJQNQQ-UHFFFAOYSA-N 0 0 244.363 3.941 20 0 BHADRN Clc1ccc(CNc2cccc(C3CC3)n2)o1 ZINC000339428623 386421751 /nfs/dbraw/zinc/42/17/51/386421751.db2.gz MPZUCOOQPKOLNY-UHFFFAOYSA-N 0 0 248.713 3.818 20 0 BHADRN Fc1ccccc1CNc1cccc(C2CC2)n1 ZINC000339428898 181013551 /nfs/dbraw/zinc/01/35/51/181013551.db2.gz HPHOXTAALOFZLD-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN CC1(CNc2cccc(C3CC3)n2)CCC1 ZINC000339428926 168047931 /nfs/dbraw/zinc/04/79/31/168047931.db2.gz ILNUTJWTEZYBJO-UHFFFAOYSA-N 0 0 216.328 3.561 20 0 BHADRN CCc1ccc(CNc2cccc(C3CC3)n2)o1 ZINC000339428969 386421164 /nfs/dbraw/zinc/42/11/64/386421164.db2.gz JXDAGBQYXATJEH-UHFFFAOYSA-N 0 0 242.322 3.727 20 0 BHADRN Cc1ccc(CNc2cccc(C3CC3)n2)cc1 ZINC000339429032 386420744 /nfs/dbraw/zinc/42/07/44/386420744.db2.gz UTLSMAZRFHMVNS-UHFFFAOYSA-N 0 0 238.334 3.880 20 0 BHADRN Cc1ccccc1CNc1cccc(C2CC2)n1 ZINC000339429442 179285821 /nfs/dbraw/zinc/28/58/21/179285821.db2.gz LFYGLYKJZSTBPP-UHFFFAOYSA-N 0 0 238.334 3.880 20 0 BHADRN Fc1ccc(CNc2cccc(C3CC3)n2)cc1 ZINC000339429769 386424544 /nfs/dbraw/zinc/42/45/44/386424544.db2.gz QYZNSXVHCDBOFV-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN Cc1ccsc1CNc1cccc(C2CC2)n1 ZINC000339430278 179550263 /nfs/dbraw/zinc/55/02/63/179550263.db2.gz SIKMSZWYVRKHAU-UHFFFAOYSA-N 0 0 244.363 3.941 20 0 BHADRN Fc1cccc(CNc2cccc(C3CC3)n2)c1 ZINC000339430447 386425067 /nfs/dbraw/zinc/42/50/67/386425067.db2.gz XLXVIAUFWIJHDR-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN CC1(C)CCC[C@H](CC(=O)Nc2ccccn2)C1 ZINC000339434422 350758350 /nfs/dbraw/zinc/75/83/50/350758350.db2.gz WGSKJYXXGGKLCH-GFCCVEGCSA-N 0 0 246.354 3.627 20 0 BHADRN CC1(C)CCC[C@@H](CC(=O)Nc2ccccn2)C1 ZINC000339434424 350758373 /nfs/dbraw/zinc/75/83/73/350758373.db2.gz WGSKJYXXGGKLCH-LBPRGKRZSA-N 0 0 246.354 3.627 20 0 BHADRN CCC1(CNC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000339435316 168471669 /nfs/dbraw/zinc/47/16/69/168471669.db2.gz AWXKXHAWHHSZLP-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(CNC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000339435317 386421912 /nfs/dbraw/zinc/42/19/12/386421912.db2.gz AWXKXHAWHHSZLP-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1cncc(NC(=O)[C@@H]2CCCC(C)(C)C2)c1 ZINC000339441942 386428103 /nfs/dbraw/zinc/42/81/03/386428103.db2.gz VLIIGTQNLDYXTO-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1cncc(NC(=O)[C@H]2CCCC(C)(C)C2)c1 ZINC000339441943 386427047 /nfs/dbraw/zinc/42/70/47/386427047.db2.gz VLIIGTQNLDYXTO-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN CC1(CNC(=O)[C@@H]2CCCC(C)(C)C2)CCC1 ZINC000339442643 167905347 /nfs/dbraw/zinc/90/53/47/167905347.db2.gz NLDUKHJYQCAKCC-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(CNC(=O)[C@H]2CCCC(C)(C)C2)CCC1 ZINC000339442644 350758584 /nfs/dbraw/zinc/75/85/84/350758584.db2.gz NLDUKHJYQCAKCC-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCCC(C)(C)C2)cn1 ZINC000339516757 386460106 /nfs/dbraw/zinc/46/01/06/386460106.db2.gz IZWYMPVTPXIPLP-GFCCVEGCSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCCC(C)(C)C2)cn1 ZINC000339516759 178747398 /nfs/dbraw/zinc/74/73/98/178747398.db2.gz IZWYMPVTPXIPLP-LBPRGKRZSA-N 0 0 246.354 3.545 20 0 BHADRN CC(C)c1occc1C(=O)NC[C@@H]1CCC[C@H]1C ZINC000339517964 386452308 /nfs/dbraw/zinc/45/23/08/386452308.db2.gz XUTMPFXFJNADSQ-NEPJUHHUSA-N 0 0 249.354 3.569 20 0 BHADRN CC(C)c1occc1C(=O)NC[C@H]1CCC[C@@H]1C ZINC000339517968 386450854 /nfs/dbraw/zinc/45/08/54/386450854.db2.gz XUTMPFXFJNADSQ-NWDGAFQWSA-N 0 0 249.354 3.569 20 0 BHADRN CC(C)c1occc1C(=O)NC[C@@H]1CCC[C@@H]1C ZINC000339517972 386451976 /nfs/dbraw/zinc/45/19/76/386451976.db2.gz XUTMPFXFJNADSQ-RYUDHWBXSA-N 0 0 249.354 3.569 20 0 BHADRN CC(C)c1occc1C(=O)NC[C@H]1CCC[C@H]1C ZINC000339517976 386451774 /nfs/dbraw/zinc/45/17/74/386451774.db2.gz XUTMPFXFJNADSQ-VXGBXAGGSA-N 0 0 249.354 3.569 20 0 BHADRN c1cc(NC2CCCC2)ncc1C1CCC1 ZINC000339560703 188083956 /nfs/dbraw/zinc/08/39/56/188083956.db2.gz BAIHTAIPSUTZAA-UHFFFAOYSA-N 0 0 216.328 3.704 20 0 BHADRN c1cc(N[C@@H]2CCCSC2)ncc1C1CCC1 ZINC000339563078 183358556 /nfs/dbraw/zinc/35/85/56/183358556.db2.gz KUOSJWYQNYCBQH-CYBMUJFWSA-N 0 0 248.395 3.657 20 0 BHADRN c1cc(N[C@H]2CCCSC2)ncc1C1CCC1 ZINC000339563086 183358505 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CC[C@H]1CCCC[C@H]1c1noc(C2(C)CC2)n1 ZINC000341171922 386850527 /nfs/dbraw/zinc/85/05/27/386850527.db2.gz CQVWKKVZZMLKSC-WDEREUQCSA-N 0 0 234.343 3.805 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C)c1cccs1 ZINC000341177398 386852482 /nfs/dbraw/zinc/85/24/82/386852482.db2.gz SXDBPBOFSHYYTG-SDDRHHMPSA-N 0 0 249.379 3.528 20 0 BHADRN C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C)c1cccs1 ZINC000341177400 176812775 /nfs/dbraw/zinc/81/27/75/176812775.db2.gz SXDBPBOFSHYYTG-SRVKXCTJSA-N 0 0 249.379 3.528 20 0 BHADRN C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C)c1cccs1 ZINC000341177401 176813034 /nfs/dbraw/zinc/81/30/34/176813034.db2.gz SXDBPBOFSHYYTG-WOPDTQHZSA-N 0 0 249.379 3.528 20 0 BHADRN CC[C@@H]1CCCC[C@H]1c1noc(CSC)n1 ZINC000341178781 352694513 /nfs/dbraw/zinc/69/45/13/352694513.db2.gz WUBJJXWZPBDLKO-NXEZZACHSA-N 0 0 240.372 3.616 20 0 BHADRN CC[C@H]1CCCC[C@@H]1c1noc(CSC)n1 ZINC000341178797 171610439 /nfs/dbraw/zinc/61/04/39/171610439.db2.gz WUBJJXWZPBDLKO-UWVGGRQHSA-N 0 0 240.372 3.616 20 0 BHADRN CC[C@H]1CCCC[C@H]1c1noc(CSC)n1 ZINC000341178801 386852215 /nfs/dbraw/zinc/85/22/15/386852215.db2.gz WUBJJXWZPBDLKO-VHSXEESVSA-N 0 0 240.372 3.616 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1c1noc(CSC)n1 ZINC000341179420 352694500 /nfs/dbraw/zinc/69/45/00/352694500.db2.gz WUBJJXWZPBDLKO-ZJUUUORDSA-N 0 0 240.372 3.616 20 0 BHADRN Cc1ccn(-c2ccc(NCC(C)(C)C)cc2)n1 ZINC000341213466 179399655 /nfs/dbraw/zinc/39/96/55/179399655.db2.gz NGGSKNBUVJCERY-UHFFFAOYSA-N 0 0 243.354 3.639 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)Nc1c(C)cccc1C ZINC000341222526 169363032 /nfs/dbraw/zinc/36/30/32/169363032.db2.gz XKCKRUZQMBDYMX-CYBMUJFWSA-N 0 0 248.370 3.956 20 0 BHADRN CCC[C@H](C)N(C)C(=O)Nc1c(C)cccc1C ZINC000341222534 386857056 /nfs/dbraw/zinc/85/70/56/386857056.db2.gz XKCKRUZQMBDYMX-ZDUSSCGKSA-N 0 0 248.370 3.956 20 0 BHADRN CC(C)=CCNc1ccc(-n2ccc(C)n2)cc1 ZINC000341224583 386857522 /nfs/dbraw/zinc/85/75/22/386857522.db2.gz ALYRLUBMICIDBG-UHFFFAOYSA-N 0 0 241.338 3.559 20 0 BHADRN CCOc1cc(NCc2ccc(C)o2)ccc1C ZINC000341252567 386868385 /nfs/dbraw/zinc/86/83/85/386868385.db2.gz BJLAZIYJHPECHT-UHFFFAOYSA-N 0 0 245.322 3.907 20 0 BHADRN CCCCn1ncc(NCc2occc2C)c1C ZINC000341258195 169038963 /nfs/dbraw/zinc/03/89/63/169038963.db2.gz KZQNRJFKJRPBTM-UHFFFAOYSA-N 0 0 247.342 3.505 20 0 BHADRN Cc1c(NCc2cccs2)cnn1CC(C)C ZINC000341266137 177620020 /nfs/dbraw/zinc/62/00/20/177620020.db2.gz RRIFXICKMZWYMC-UHFFFAOYSA-N 0 0 249.383 3.521 20 0 BHADRN Cc1c(NC[C@H]2CC=CCC2)cnn1CC(C)C ZINC000341266524 386872372 /nfs/dbraw/zinc/87/23/72/386872372.db2.gz AALRBJPOYTVFAG-AWEZNQCLSA-N 0 0 247.386 3.616 20 0 BHADRN Cc1c(NC[C@@H]2CC=CCC2)cnn1CC(C)C ZINC000341266539 386871803 /nfs/dbraw/zinc/87/18/03/386871803.db2.gz AALRBJPOYTVFAG-CQSZACIVSA-N 0 0 247.386 3.616 20 0 BHADRN CC(C)CCc1noc(-c2ccoc2C2CC2)n1 ZINC000341270573 166919902 /nfs/dbraw/zinc/91/99/02/166919902.db2.gz HLPCQJNSCWEFJV-UHFFFAOYSA-N 0 0 246.310 3.796 20 0 BHADRN CSc1cccc(NC(=O)[C@@H]2CC2(C)C)c1C ZINC000341274525 175580798 /nfs/dbraw/zinc/58/07/98/175580798.db2.gz CHUDLSBGQOKDOT-JTQLQIEISA-N 0 0 249.379 3.702 20 0 BHADRN Cc1noc([C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000341275281 386874084 /nfs/dbraw/zinc/87/40/84/386874084.db2.gz RDYJHLAFGVAARM-LLVKDONJSA-N 0 0 244.338 3.728 20 0 BHADRN Cc1noc([C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000341275285 386874080 /nfs/dbraw/zinc/87/40/80/386874080.db2.gz RDYJHLAFGVAARM-NSHDSACASA-N 0 0 244.338 3.728 20 0 BHADRN CSc1ccc([C@@H](C)Nc2ccccn2)cc1 ZINC000341276848 188398489 /nfs/dbraw/zinc/39/84/89/188398489.db2.gz QVFRKMVFAJKHQO-LLVKDONJSA-N 0 0 244.363 3.977 20 0 BHADRN CSc1ccc([C@H](C)Nc2ccccn2)cc1 ZINC000341276849 386874915 /nfs/dbraw/zinc/87/49/15/386874915.db2.gz QVFRKMVFAJKHQO-NSHDSACASA-N 0 0 244.363 3.977 20 0 BHADRN CCCc1occc1-c1nc(C2CCCC2)no1 ZINC000341277628 386874868 /nfs/dbraw/zinc/87/48/68/386874868.db2.gz LXGYEKUNDAXDAS-UHFFFAOYSA-N 0 0 246.310 3.940 20 0 BHADRN CC[C@@H](C)n1ncc(NCC(C)C)c1C1CC1 ZINC000341278392 386874544 /nfs/dbraw/zinc/87/45/44/386874544.db2.gz RVBOEGQRMZWUGQ-LLVKDONJSA-N 0 0 235.375 3.799 20 0 BHADRN CC[C@H](C)n1ncc(NCC(C)C)c1C1CC1 ZINC000341278393 386874361 /nfs/dbraw/zinc/87/43/61/386874361.db2.gz RVBOEGQRMZWUGQ-NSHDSACASA-N 0 0 235.375 3.799 20 0 BHADRN CC1=C(C(=O)N2Cc3ccccc3[C@H]2C)CCC1 ZINC000341294606 168076608 /nfs/dbraw/zinc/07/66/08/168076608.db2.gz ZEEXIUJCEVDSJD-GFCCVEGCSA-N 0 0 241.334 3.590 20 0 BHADRN CC1=C(C(=O)N2Cc3ccccc3[C@@H]2C)CCC1 ZINC000341294608 168076971 /nfs/dbraw/zinc/07/69/71/168076971.db2.gz ZEEXIUJCEVDSJD-LBPRGKRZSA-N 0 0 241.334 3.590 20 0 BHADRN c1cc(-c2nc(C3CC3)no2)cc(C2CCC2)c1 ZINC000341296993 183331006 /nfs/dbraw/zinc/33/10/06/183331006.db2.gz YHWYMZWPGCMGNL-UHFFFAOYSA-N 0 0 240.306 3.882 20 0 BHADRN CSc1cccc(NCc2ccn(C)c2)c1C ZINC000341314108 386893495 /nfs/dbraw/zinc/89/34/95/386893495.db2.gz SDBHKGLTZHJXDU-UHFFFAOYSA-N 0 0 246.379 3.668 20 0 BHADRN CSc1cccc(NCc2ccccn2)c1C ZINC000341314345 175581448 /nfs/dbraw/zinc/58/14/48/175581448.db2.gz STIHQOAHFLMHJC-UHFFFAOYSA-N 0 0 244.363 3.724 20 0 BHADRN CCCCn1ncc(NCc2ccc(C)o2)c1C ZINC000341323279 169039860 /nfs/dbraw/zinc/03/98/60/169039860.db2.gz OYNXJAPVBJIUHA-UHFFFAOYSA-N 0 0 247.342 3.505 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000341323913 171205741 /nfs/dbraw/zinc/20/57/41/171205741.db2.gz ATSIJOSRCDUTIA-DOMZBBRYSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000341323914 386880738 /nfs/dbraw/zinc/88/07/38/386880738.db2.gz ATSIJOSRCDUTIA-IUODEOHRSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000341323915 386880578 /nfs/dbraw/zinc/88/05/78/386880578.db2.gz ATSIJOSRCDUTIA-SWLSCSKDSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000341323916 171208154 /nfs/dbraw/zinc/20/81/54/171208154.db2.gz ATSIJOSRCDUTIA-WFASDCNBSA-N 0 0 237.387 3.508 20 0 BHADRN CSc1cccc(NCc2cccnc2)c1C ZINC000341326893 386881935 /nfs/dbraw/zinc/88/19/35/386881935.db2.gz YQQUNASCODFNTA-UHFFFAOYSA-N 0 0 244.363 3.724 20 0 BHADRN CSc1cccc(NCc2ccncc2)c1C ZINC000341339044 386884980 /nfs/dbraw/zinc/88/49/80/386884980.db2.gz BDELMGBTYPOYNI-UHFFFAOYSA-N 0 0 244.363 3.724 20 0 BHADRN Cc1ncccc1OCc1ccc(Cl)cc1 ZINC000341344888 180227790 /nfs/dbraw/zinc/22/77/90/180227790.db2.gz CBTLNUCXFMGHSC-UHFFFAOYSA-N 0 0 233.698 3.622 20 0 BHADRN CC[C@H](C)n1ncc(NCC2CC2)c1C1CC1 ZINC000341345911 171417027 /nfs/dbraw/zinc/41/70/27/171417027.db2.gz GVCJOIJZBVCDND-JTQLQIEISA-N 0 0 233.359 3.553 20 0 BHADRN CCCc1nc(-c2ccncc2Cl)cs1 ZINC000341347022 386887355 /nfs/dbraw/zinc/88/73/55/386887355.db2.gz JNTCWJJCJJPMBC-UHFFFAOYSA-N 0 0 238.743 3.811 20 0 BHADRN CC[C@@H](C)n1ncc(NCC2CC2)c1C1CC1 ZINC000341347257 170810131 /nfs/dbraw/zinc/81/01/31/170810131.db2.gz GVCJOIJZBVCDND-SNVBAGLBSA-N 0 0 233.359 3.553 20 0 BHADRN Cc1c(NCc2ccsc2)cnn1CC(C)C ZINC000341347312 386887322 /nfs/dbraw/zinc/88/73/22/386887322.db2.gz HFEFGMOSTYHHKM-UHFFFAOYSA-N 0 0 249.383 3.521 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)NC1(C)CCC(C)CC1 ZINC000341348759 386887188 /nfs/dbraw/zinc/88/71/88/386887188.db2.gz OMOVCDZWUAECJP-HCWKNACYSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)NC1(C)CCC(C)CC1 ZINC000341348761 171206068 /nfs/dbraw/zinc/20/60/68/171206068.db2.gz OMOVCDZWUAECJP-JANAKTCESA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)NC1(C)CCC(C)CC1 ZINC000341348763 171208338 /nfs/dbraw/zinc/20/83/38/171208338.db2.gz OMOVCDZWUAECJP-PBOMKEBTSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)NC1(C)CCC(C)CC1 ZINC000341348766 386887438 /nfs/dbraw/zinc/88/74/38/386887438.db2.gz OMOVCDZWUAECJP-VYKPZMDHSA-N 0 0 237.387 3.508 20 0 BHADRN CSc1ccc(OCc2cncc(F)c2)cc1 ZINC000341350078 188043880 /nfs/dbraw/zinc/04/38/80/188043880.db2.gz XSIPQXPVQAQLFR-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN CCc1nc(C)cc(Sc2ccccc2F)n1 ZINC000341358971 352702544 /nfs/dbraw/zinc/70/25/44/352702544.db2.gz GYILKCJBTKTHIZ-UHFFFAOYSA-N 0 0 248.326 3.638 20 0 BHADRN CC(C)=CCOc1cnc2ccc(F)cc2c1 ZINC000341368045 188217421 /nfs/dbraw/zinc/21/74/21/188217421.db2.gz TZEHQZWGHMMHBL-UHFFFAOYSA-N 0 0 231.270 3.719 20 0 BHADRN CC(C)c1ccoc1C(=O)N(C(C)C)C1CCC1 ZINC000341368944 386896180 /nfs/dbraw/zinc/89/61/80/386896180.db2.gz DKFLPPRIRLFTQU-UHFFFAOYSA-N 0 0 249.354 3.806 20 0 BHADRN C=Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C)cc1 ZINC000341369162 386895555 /nfs/dbraw/zinc/89/55/55/386895555.db2.gz DRIOGNNGVRHZFH-CHWSQXEVSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000341369165 386896032 /nfs/dbraw/zinc/89/60/32/386896032.db2.gz DRIOGNNGVRHZFH-OLZOCXBDSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C)cc1 ZINC000341369168 187355549 /nfs/dbraw/zinc/35/55/49/187355549.db2.gz DRIOGNNGVRHZFH-QWHCGFSZSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C)cc1 ZINC000341369171 386894887 /nfs/dbraw/zinc/89/48/87/386894887.db2.gz DRIOGNNGVRHZFH-STQMWFEESA-N 0 0 243.350 3.590 20 0 BHADRN CCc1noc(C)c1CSCC1CCC1 ZINC000341372362 172080733 /nfs/dbraw/zinc/08/07/33/172080733.db2.gz NYZGXMVIWKTDLF-UHFFFAOYSA-N 0 0 225.357 3.579 20 0 BHADRN Fc1cncc(CSC2CCCCC2)c1 ZINC000341378155 181020480 /nfs/dbraw/zinc/02/04/80/181020480.db2.gz ZYYLIHRXSQTWLG-UHFFFAOYSA-N 0 0 225.332 3.787 20 0 BHADRN C=Cc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000341390845 386901279 /nfs/dbraw/zinc/90/12/79/386901279.db2.gz ZAGQVNWOYNYFJD-BETUJISGSA-N 0 0 243.350 3.733 20 0 BHADRN C=Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000341390847 188045055 /nfs/dbraw/zinc/04/50/55/188045055.db2.gz ZAGQVNWOYNYFJD-CHWSQXEVSA-N 0 0 243.350 3.733 20 0 BHADRN C=Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000341390849 386902073 /nfs/dbraw/zinc/90/20/73/386902073.db2.gz ZAGQVNWOYNYFJD-STQMWFEESA-N 0 0 243.350 3.733 20 0 BHADRN CCCCC(=O)N(c1ccccc1)C(C)C ZINC000341394430 168611201 /nfs/dbraw/zinc/61/12/01/168611201.db2.gz XGJODXCCBISIKO-UHFFFAOYSA-N 0 0 219.328 3.618 20 0 BHADRN C=Cc1ccc(C(=O)N(C(C)C)C2CCC2)cc1 ZINC000341394512 386902306 /nfs/dbraw/zinc/90/23/06/386902306.db2.gz XTKLTMKGZVDKNJ-UHFFFAOYSA-N 0 0 243.350 3.733 20 0 BHADRN CCCc1occc1C(=O)N(C)C1(C)CCCC1 ZINC000341395795 386902336 /nfs/dbraw/zinc/90/23/36/386902336.db2.gz MKGIHELFSSGWKI-UHFFFAOYSA-N 0 0 249.354 3.637 20 0 BHADRN CCCCc1nc(-c2cccnc2OC)cs1 ZINC000341401239 386904270 /nfs/dbraw/zinc/90/42/70/386904270.db2.gz YVVVOTVOTWRRPX-UHFFFAOYSA-N 0 0 248.351 3.556 20 0 BHADRN c1csc(COc2ccc(C3CCC3)cc2)n1 ZINC000341402007 386903032 /nfs/dbraw/zinc/90/30/32/386903032.db2.gz TYZBYPZXJRGSDE-UHFFFAOYSA-N 0 0 245.347 3.990 20 0 BHADRN Cc1nccc(Nc2ccc(F)c(C3CC3)c2)n1 ZINC000341404273 180207793 /nfs/dbraw/zinc/20/77/93/180207793.db2.gz IPUWEWXDMQSCQM-UHFFFAOYSA-N 0 0 243.285 3.545 20 0 BHADRN CC(C)N(C(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000341404825 187868279 /nfs/dbraw/zinc/86/82/79/187868279.db2.gz MBXLYYDMBJOTKF-AWEZNQCLSA-N 0 0 243.350 3.784 20 0 BHADRN CC(C)N(C(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000341404831 187355427 /nfs/dbraw/zinc/35/54/27/187355427.db2.gz MBXLYYDMBJOTKF-CQSZACIVSA-N 0 0 243.350 3.784 20 0 BHADRN CCc1noc(-c2cccc(C3CCC3)c2)n1 ZINC000341406667 172072602 /nfs/dbraw/zinc/07/26/02/172072602.db2.gz ZZPPGUIEWFVVRV-UHFFFAOYSA-N 0 0 228.295 3.567 20 0 BHADRN C=Cc1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)cc1 ZINC000341412954 188398056 /nfs/dbraw/zinc/39/80/56/188398056.db2.gz YSUHHXWIBAYMJN-CHWSQXEVSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc1 ZINC000341412955 188045312 /nfs/dbraw/zinc/04/53/12/188045312.db2.gz YSUHHXWIBAYMJN-OLZOCXBDSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2C[C@@H](C)CC[C@H]2C)cc1 ZINC000341412957 188398059 /nfs/dbraw/zinc/39/80/59/188398059.db2.gz YSUHHXWIBAYMJN-QWHCGFSZSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000341412960 188044643 /nfs/dbraw/zinc/04/46/43/188044643.db2.gz YSUHHXWIBAYMJN-STQMWFEESA-N 0 0 243.350 3.590 20 0 BHADRN Cc1ccnc(Nc2ccc(F)c(C3CC3)c2)n1 ZINC000341413209 386908152 /nfs/dbraw/zinc/90/81/52/386908152.db2.gz UITQYEQRIWJUFG-UHFFFAOYSA-N 0 0 243.285 3.545 20 0 BHADRN 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178282133 /nfs/dbraw/zinc/28/21/33/178282133.db2.gz FLQYUSCCZGEKJG-UHFFFAOYSA-N 0 0 238.381 3.748 20 0 BHADRN CC[C@H](NC(=O)[C@@H]1C[C@]1(C)CC)c1ccccc1 ZINC000341454853 386907699 /nfs/dbraw/zinc/90/76/99/386907699.db2.gz CIWANQBFSMXEDH-DZKIICNBSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@H](NC(=O)[C@H]1C[C@@]1(C)CC)c1ccccc1 ZINC000341454872 386908467 /nfs/dbraw/zinc/90/84/67/386908467.db2.gz CIWANQBFSMXEDH-IJEWVQPXSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@H](NC(=O)[C@@H]1C[C@@]1(C)CC)c1ccccc1 ZINC000341454874 386908236 /nfs/dbraw/zinc/90/82/36/386908236.db2.gz CIWANQBFSMXEDH-OFQRWUPVSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@H](NC(=O)[C@H]1C[C@]1(C)CC)c1ccccc1 ZINC000341454878 386907428 /nfs/dbraw/zinc/90/74/28/386907428.db2.gz CIWANQBFSMXEDH-YCPHGPKFSA-N 0 0 245.366 3.690 20 0 BHADRN Cc1cc(Sc2cccs2)nc(C2CC2)n1 ZINC000341461161 178219978 /nfs/dbraw/zinc/21/99/78/178219978.db2.gz PJVGDHAWWVZFBF-UHFFFAOYSA-N 0 0 248.376 3.875 20 0 BHADRN Cn1ccc(CNc2ccc(F)c(C3CC3)c2)c1 ZINC000341463951 386907861 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236.380 3.567 20 0 BHADRN C[C@@H](SCc1ccccc1C1CC1)[C@H](C)O ZINC000341503654 177005323 /nfs/dbraw/zinc/00/53/23/177005323.db2.gz SWDCBEKCLWTKHE-WDEREUQCSA-N 0 0 236.380 3.567 20 0 BHADRN CC[C@@H](O)CSCc1ccccc1C1CC1 ZINC000341507004 352710229 /nfs/dbraw/zinc/71/02/29/352710229.db2.gz ZDGGNLRFSVFMMS-CYBMUJFWSA-N 0 0 236.380 3.568 20 0 BHADRN CC[C@H](O)CSCc1ccccc1C1CC1 ZINC000341507005 386914293 /nfs/dbraw/zinc/91/42/93/386914293.db2.gz ZDGGNLRFSVFMMS-ZDUSSCGKSA-N 0 0 236.380 3.568 20 0 BHADRN Fc1ccc(NCc2cc[nH]c2)cc1C1CC1 ZINC000341510874 386914945 /nfs/dbraw/zinc/91/49/45/386914945.db2.gz KZTNRTUKILROOD-UHFFFAOYSA-N 0 0 230.286 3.643 20 0 BHADRN Fc1ccc(NCc2ccccn2)cc1C1CC1 ZINC000341514801 386913878 /nfs/dbraw/zinc/91/38/78/386913878.db2.gz SMYZGSCXSAIZPC-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN CC(C)N(C(=O)c1ccoc1C1CC1)C1CCC1 ZINC000341515810 386914914 /nfs/dbraw/zinc/91/49/14/386914914.db2.gz OBYUIELPURGLNX-UHFFFAOYSA-N 0 0 247.338 3.560 20 0 BHADRN CCCC[S@](=O)Cc1ccccc1C1CC1 ZINC000341517465 169017168 /nfs/dbraw/zinc/01/71/68/169017168.db2.gz YSAXIRQNZDOILP-INIZCTEOSA-N 0 0 236.380 3.613 20 0 BHADRN CCCC[S@@](=O)Cc1ccccc1C1CC1 ZINC000341517466 169016331 /nfs/dbraw/zinc/01/63/31/169016331.db2.gz YSAXIRQNZDOILP-MRXNPFEDSA-N 0 0 236.380 3.613 20 0 BHADRN CCC(CC)Sc1cc(C)nc(C2CC2)n1 ZINC000341517981 168396218 /nfs/dbraw/zinc/39/62/18/168396218.db2.gz PZZUGXKULIARDN-UHFFFAOYSA-N 0 0 236.384 3.943 20 0 BHADRN C=Cc1ccc(C(=O)N2[C@H](C)CC[C@@H]2CC)cc1 ZINC000341519387 386920443 /nfs/dbraw/zinc/92/04/43/386920443.db2.gz ZKCRFKCGRUZJKI-DOMZBBRYSA-N 0 0 243.350 3.733 20 0 BHADRN C=Cc1ccc(C(=O)N2[C@H](C)CC[C@H]2CC)cc1 ZINC000341519388 191689405 /nfs/dbraw/zinc/68/94/05/191689405.db2.gz ZKCRFKCGRUZJKI-IUODEOHRSA-N 0 0 243.350 3.733 20 0 BHADRN C=Cc1ccc(C(=O)N2[C@H](CC)CC[C@@H]2C)cc1 ZINC000341519389 188045297 /nfs/dbraw/zinc/04/52/97/188045297.db2.gz ZKCRFKCGRUZJKI-SWLSCSKDSA-N 0 0 243.350 3.733 20 0 BHADRN C=Cc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2CC)cc1 ZINC000341519390 386920508 /nfs/dbraw/zinc/92/05/08/386920508.db2.gz ZKCRFKCGRUZJKI-WFASDCNBSA-N 0 0 243.350 3.733 20 0 BHADRN CCCc1occc1C(=O)N(C(C)C)C1CCC1 ZINC000341522196 386921285 /nfs/dbraw/zinc/92/12/85/386921285.db2.gz VBNNAFOJDJOFNW-UHFFFAOYSA-N 0 0 249.354 3.635 20 0 BHADRN C=Cc1ccc(C(=O)N2CC[C@](C)(CC)C2)cc1 ZINC000341522464 386920800 /nfs/dbraw/zinc/92/08/00/386920800.db2.gz FEWHUHJGPJAUFC-INIZCTEOSA-N 0 0 243.350 3.592 20 0 BHADRN C=Cc1ccc(C(=O)N2CC[C@@](C)(CC)C2)cc1 ZINC000341522465 386921234 /nfs/dbraw/zinc/92/12/34/386921234.db2.gz FEWHUHJGPJAUFC-MRXNPFEDSA-N 0 0 243.350 3.592 20 0 BHADRN CC(C)(C)CCNc1ccnc2cc(F)cnc21 ZINC000341534761 386922267 /nfs/dbraw/zinc/92/22/67/386922267.db2.gz RJHHTNBJUXSRSF-UHFFFAOYSA-N 0 0 247.317 3.617 20 0 BHADRN CCC[C@H](C)CC(=O)NC1CCC(F)(F)CC1 ZINC000341536750 169477633 /nfs/dbraw/zinc/47/76/33/169477633.db2.gz CGHHMVCSIBTFNL-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@H](C)CC(=O)NC1CCC(F)(F)CC1 ZINC000341536757 169355694 /nfs/dbraw/zinc/35/56/94/169355694.db2.gz CGHHMVCSIBTFNL-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCC(C)(C)CC(=O)NC1CCC(F)(F)CC1 ZINC000341537198 168272742 /nfs/dbraw/zinc/27/27/42/168272742.db2.gz CXIXCWHXMIJVMM-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CC(=O)[C@@H](C)SCc1c(F)cccc1Cl ZINC000341539668 187867802 /nfs/dbraw/zinc/86/78/02/187867802.db2.gz UKADDSPCXXLPTO-MRVPVSSYSA-N 0 0 246.734 3.690 20 0 BHADRN CC(=O)[C@H](C)SCc1c(F)cccc1Cl ZINC000341539669 188218137 /nfs/dbraw/zinc/21/81/37/188218137.db2.gz UKADDSPCXXLPTO-QMMMGPOBSA-N 0 0 246.734 3.690 20 0 BHADRN c1ccc(C2CC2)c(CSC2CCOCC2)c1 ZINC000341539688 183390203 /nfs/dbraw/zinc/39/02/03/183390203.db2.gz ULYAOUOFLIPIPZ-UHFFFAOYSA-N 0 0 248.391 3.976 20 0 BHADRN c1ccc(C2CC2)c(CSC[C@@H]2CCOC2)c1 ZINC000341540785 183390409 /nfs/dbraw/zinc/39/04/09/183390409.db2.gz VOTYEYFMVXCRJM-GFCCVEGCSA-N 0 0 248.391 3.834 20 0 BHADRN c1ccc(C2CC2)c(CSC[C@H]2CCOC2)c1 ZINC000341540787 183390369 /nfs/dbraw/zinc/39/03/69/183390369.db2.gz VOTYEYFMVXCRJM-LBPRGKRZSA-N 0 0 248.391 3.834 20 0 BHADRN CCC(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000341541120 168246203 /nfs/dbraw/zinc/24/62/03/168246203.db2.gz CRPBTYQRMZALCN-UHFFFAOYSA-N 0 0 244.338 3.646 20 0 BHADRN CC(=O)[C@@H](C)SCc1cccc(Cl)c1F ZINC000341541601 386922292 /nfs/dbraw/zinc/92/22/92/386922292.db2.gz WWPWNXKOSZGBKM-MRVPVSSYSA-N 0 0 246.734 3.690 20 0 BHADRN CC(=O)[C@H](C)SCc1cccc(Cl)c1F ZINC000341541602 386922702 /nfs/dbraw/zinc/92/27/02/386922702.db2.gz WWPWNXKOSZGBKM-QMMMGPOBSA-N 0 0 246.734 3.690 20 0 BHADRN CC1(CSCc2ccccc2C2CC2)COC1 ZINC000341542590 168051285 /nfs/dbraw/zinc/05/12/85/168051285.db2.gz XYJMLRXOFOIQHX-UHFFFAOYSA-N 0 0 248.391 3.834 20 0 BHADRN CC(C)[C@@H](C)N(C)c1cc(C(F)(F)F)ccn1 ZINC000341542939 167371752 /nfs/dbraw/zinc/37/17/52/167371752.db2.gz FYEKBMPVFDJTOF-SECBINFHSA-N 0 0 246.276 3.581 20 0 BHADRN CC(C)[C@H](C)N(C)c1cc(C(F)(F)F)ccn1 ZINC000341542948 386922319 /nfs/dbraw/zinc/92/23/19/386922319.db2.gz FYEKBMPVFDJTOF-VIFPVBQESA-N 0 0 246.276 3.581 20 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/nfs/dbraw/zinc/79/36/45/354793645.db2.gz GTGJWEACMNUOAU-NSHDSACASA-N 0 0 238.306 3.928 20 0 BHADRN Cc1ccc(-c2nc(C3CC3)no2)c(Cl)c1 ZINC000345882283 354797052 /nfs/dbraw/zinc/79/70/52/354797052.db2.gz MKZIIYVOZYQINV-UHFFFAOYSA-N 0 0 234.686 3.576 20 0 BHADRN CCCCC(=O)Nc1c(C)cc(OC)c(C)c1C ZINC000345884333 354796800 /nfs/dbraw/zinc/79/68/00/354796800.db2.gz IFEQNBBLHSSFEL-UHFFFAOYSA-N 0 0 249.354 3.749 20 0 BHADRN Cc1oc2ccccc2c1-c1nc(C2CC2)no1 ZINC000345887043 354797806 /nfs/dbraw/zinc/79/78/06/354797806.db2.gz PMJMTDBAGQLGHM-UHFFFAOYSA-N 0 0 240.262 3.669 20 0 BHADRN CC[C@@H](C)C(=O)Nc1c(C)cc(OC)c(C)c1C ZINC000345888429 354798776 /nfs/dbraw/zinc/79/87/76/354798776.db2.gz NQXZYEQCGLYOTJ-SECBINFHSA-N 0 0 249.354 3.605 20 0 BHADRN Cc1sccc1Cc1nc(C2CCCC2)no1 ZINC000345888430 354798658 /nfs/dbraw/zinc/79/86/58/354798658.db2.gz SAWMCPYWUMSAMS-UHFFFAOYSA-N 0 0 248.351 3.688 20 0 BHADRN CC[C@H](C)C(=O)Nc1c(C)cc(OC)c(C)c1C ZINC000345888431 354798553 /nfs/dbraw/zinc/79/85/53/354798553.db2.gz NQXZYEQCGLYOTJ-VIFPVBQESA-N 0 0 249.354 3.605 20 0 BHADRN CCC1CCC(c2nc(C3CC3)no2)CC1 ZINC000345891199 354798623 /nfs/dbraw/zinc/79/86/23/354798623.db2.gz UALPEJLKUSZCQL-UHFFFAOYSA-N 0 0 220.316 3.631 20 0 BHADRN c1cc(C2CC2)c(-c2nc(C3CC3)no2)s1 ZINC000345893311 354800469 /nfs/dbraw/zinc/80/04/69/354800469.db2.gz WTTAIRDMYGJBPK-UHFFFAOYSA-N 0 0 232.308 3.553 20 0 BHADRN Cc1c(Cl)cccc1-c1nc(C2CC2)no1 ZINC000345893319 354800233 /nfs/dbraw/zinc/80/02/33/354800233.db2.gz WZCVRQJYVHIEIC-UHFFFAOYSA-N 0 0 234.686 3.576 20 0 BHADRN c1cc2cccc(-c3nc(C4CC4)no3)c2s1 ZINC000345894819 354801109 /nfs/dbraw/zinc/80/11/09/354801109.db2.gz YHTDWHVQGWECEO-UHFFFAOYSA-N 0 0 242.303 3.829 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)CC2(C)CC2)c1 ZINC000345898087 354802159 /nfs/dbraw/zinc/80/21/59/354802159.db2.gz GCCBNEPDXSSWDN-CYBMUJFWSA-N 0 0 245.366 3.671 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)CC2(C)CC2)c1 ZINC000345898088 354802143 /nfs/dbraw/zinc/80/21/43/354802143.db2.gz GCCBNEPDXSSWDN-ZDUSSCGKSA-N 0 0 245.366 3.671 20 0 BHADRN Cc1ccnc(-c2noc([C@H](C)CC(C)C)n2)c1 ZINC000345900607 354803097 /nfs/dbraw/zinc/80/30/97/354803097.db2.gz JHBCYHBDYAKVCJ-LLVKDONJSA-N 0 0 245.326 3.590 20 0 BHADRN Cc1ccnc(-c2noc([C@@H](C)CC(C)C)n2)c1 ZINC000345900609 354802925 /nfs/dbraw/zinc/80/29/25/354802925.db2.gz JHBCYHBDYAKVCJ-NSHDSACASA-N 0 0 245.326 3.590 20 0 BHADRN Cc1cccc(C(=O)N2CCC[C@H]2C(C)C)c1C ZINC000345905778 354803783 /nfs/dbraw/zinc/80/37/83/354803783.db2.gz OEASLSMLSLRPQA-HNNXBMFYSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C(=O)N2CCC[C@@H]2C(C)C)c1C ZINC000345905779 354803789 /nfs/dbraw/zinc/80/37/89/354803789.db2.gz OEASLSMLSLRPQA-OAHLLOKOSA-N 0 0 245.366 3.564 20 0 BHADRN CCCC1CCC(NC(=O)CC2(C)CC2)CC1 ZINC000345907057 135902350 /nfs/dbraw/zinc/90/23/50/135902350.db2.gz QVQBSSBCKCQHIB-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)(C)CCCCNC(=O)CC1(C)CC1 ZINC000345912589 354807031 /nfs/dbraw/zinc/80/70/31/354807031.db2.gz URYHDONPYMCAFT-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC(C)(C)CC(=O)Nc1cnccc1C ZINC000345921978 354827267 /nfs/dbraw/zinc/82/72/67/354827267.db2.gz DQYKADBTQMQEBD-UHFFFAOYSA-N 0 0 234.343 3.545 20 0 BHADRN Clc1ccc(/C=C\c2nc(C3CC3)no2)cc1 ZINC000345929958 354810746 /nfs/dbraw/zinc/81/07/46/354810746.db2.gz BGUKEYBLEMJCIK-BAQGIRSFSA-N 0 0 246.697 3.771 20 0 BHADRN Clc1ccc(/C=C/c2nc(C3CC3)no2)cc1 ZINC000345929959 135903554 /nfs/dbraw/zinc/90/35/54/135903554.db2.gz BGUKEYBLEMJCIK-FPYGCLRLSA-N 0 0 246.697 3.771 20 0 BHADRN Cc1ccc(-c2nc(C3CCCC3)no2)s1 ZINC000345930147 354810775 /nfs/dbraw/zinc/81/07/75/354810775.db2.gz BUGRYJNRFKLYBE-UHFFFAOYSA-N 0 0 234.324 3.764 20 0 BHADRN CC1(CC(=O)N2CCCC3(CCCCC3)C2)CC1 ZINC000345938720 354814495 /nfs/dbraw/zinc/81/44/95/354814495.db2.gz FUIFGWYEGKUJTL-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN c1csc(-c2nc(C3CCCCC3)no2)c1 ZINC000345940843 135904401 /nfs/dbraw/zinc/90/44/01/135904401.db2.gz UJIKXHRWMBSJHB-UHFFFAOYSA-N 0 0 234.324 3.846 20 0 BHADRN CC(C)CC1(c2nc(C3CCCC3)no2)CC1 ZINC000345941071 135904169 /nfs/dbraw/zinc/90/41/69/135904169.db2.gz VZJAOALPDCRROJ-UHFFFAOYSA-N 0 0 234.343 3.805 20 0 BHADRN COc1cc(C)c(NC(=O)CC(C)C)c(C)c1C ZINC000345943239 354815944 /nfs/dbraw/zinc/81/59/44/354815944.db2.gz DUKZPQUGBXAUBV-UHFFFAOYSA-N 0 0 249.354 3.605 20 0 BHADRN CCC1CCC(c2nc(CC3CC3)no2)CC1 ZINC000345943697 535323327 /nfs/dbraw/zinc/32/33/27/535323327.db2.gz YJXFIIVVZPZAOT-UHFFFAOYSA-N 0 0 234.343 3.706 20 0 BHADRN CC(C)CCc1noc([C@@H]2CCC(F)(F)C2)n1 ZINC000345946921 354816707 /nfs/dbraw/zinc/81/67/07/354816707.db2.gz UYSAWUMKKKDFPI-SECBINFHSA-N 0 0 244.285 3.561 20 0 BHADRN CC(C)CCc1noc([C@H]2CCC(F)(F)C2)n1 ZINC000345946922 354816721 /nfs/dbraw/zinc/81/67/21/354816721.db2.gz UYSAWUMKKKDFPI-VIFPVBQESA-N 0 0 244.285 3.561 20 0 BHADRN CC(C)c1ccc(CNC(=O)CC2(C)CC2)cc1 ZINC000345953690 354819331 /nfs/dbraw/zinc/81/93/31/354819331.db2.gz ZUQFBTYJOZOFQT-UHFFFAOYSA-N 0 0 245.366 3.616 20 0 BHADRN Cc1ccc(-c2nc(C3CC3)no2)cc1Cl ZINC000345959765 354820946 /nfs/dbraw/zinc/82/09/46/354820946.db2.gz ZAXRCYNIMRCQEN-UHFFFAOYSA-N 0 0 234.686 3.576 20 0 BHADRN Cc1cccc2cc(-c3nc(C4CC4)no3)oc21 ZINC000345960555 354821381 /nfs/dbraw/zinc/82/13/81/354821381.db2.gz CDHPKDHYYJCHJY-UHFFFAOYSA-N 0 0 240.262 3.669 20 0 BHADRN c1c2ccccc2sc1-c1nc(C2CC2)no1 ZINC000345961222 354821559 /nfs/dbraw/zinc/82/15/59/354821559.db2.gz LIDMWGOPMOHLJK-UHFFFAOYSA-N 0 0 242.303 3.829 20 0 BHADRN CCCc1cc(-c2nc(C3CC3)no2)sc1C ZINC000345963438 354822117 /nfs/dbraw/zinc/82/21/17/354822117.db2.gz FHQGZEAWSWXRGL-UHFFFAOYSA-N 0 0 248.351 3.936 20 0 BHADRN CCCc1ccc(-c2nc(C3CC3)no2)cc1 ZINC000345963511 354822803 /nfs/dbraw/zinc/82/28/03/354822803.db2.gz OGZYPGYGGDLOQL-UHFFFAOYSA-N 0 0 228.295 3.567 20 0 BHADRN c1cc(C2CC2)c(-c2nc(CC3CC3)no2)s1 ZINC000345963662 135906086 /nfs/dbraw/zinc/90/60/86/135906086.db2.gz QQQKBOGYVOFEEX-UHFFFAOYSA-N 0 0 246.335 3.628 20 0 BHADRN CC/C=C(\C)c1nc(C2CCCCC2)no1 ZINC000345964428 135905742 /nfs/dbraw/zinc/90/57/42/135905742.db2.gz QAXGXELWRHFHDZ-JXMROGBWSA-N 0 0 220.316 3.931 20 0 BHADRN CC/C=C(/C)c1nc(C2CCCCC2)no1 ZINC000345964429 135905803 /nfs/dbraw/zinc/90/58/03/135905803.db2.gz QAXGXELWRHFHDZ-YFHOEESVSA-N 0 0 220.316 3.931 20 0 BHADRN c1ccc2c(c1)cccc2-c1nc(C2CC2)no1 ZINC000345969971 354824180 /nfs/dbraw/zinc/82/41/80/354824180.db2.gz KMHMPDXIJPIFLT-UHFFFAOYSA-N 0 0 236.274 3.767 20 0 BHADRN c1sc2c(c1-c1nc(C3CC3)no1)CCCC2 ZINC000345976634 354831067 /nfs/dbraw/zinc/83/10/67/354831067.db2.gz NVYQVTXBOKEJQR-UHFFFAOYSA-N 0 0 246.335 3.554 20 0 BHADRN C/C=C/C=C\c1nc(C2CCCCC2)no1 ZINC000345977605 135907217 /nfs/dbraw/zinc/90/72/17/135907217.db2.gz CTJQEGFBKDOSNV-GQICYRDHSA-N 0 0 218.300 3.707 20 0 BHADRN c1c2c(sc1-c1nc(C3CC3)no1)CCCC2 ZINC000345977637 354830728 /nfs/dbraw/zinc/83/07/28/354830728.db2.gz DAFHMNDXZPHYRX-UHFFFAOYSA-N 0 0 246.335 3.554 20 0 BHADRN Clc1ccccc1/C=C/c1nc(C2CC2)no1 ZINC000345978209 354831019 /nfs/dbraw/zinc/83/10/19/354831019.db2.gz QHITXKAEOPJATM-BQYQJAHWSA-N 0 0 246.697 3.771 20 0 BHADRN Clc1ccccc1/C=C\c1nc(C2CC2)no1 ZINC000345978211 354831719 /nfs/dbraw/zinc/83/17/19/354831719.db2.gz QHITXKAEOPJATM-FPLPWBNLSA-N 0 0 246.697 3.771 20 0 BHADRN CCCCN(C(=O)CCCSC)[C@H](C)CC ZINC000345982491 354832631 /nfs/dbraw/zinc/83/26/31/354832631.db2.gz JVFXRPGDNIZAAU-GFCCVEGCSA-N 0 0 245.432 3.557 20 0 BHADRN CCCCN(C(=O)CCCSC)[C@@H](C)CC ZINC000345982493 354832537 /nfs/dbraw/zinc/83/25/37/354832537.db2.gz JVFXRPGDNIZAAU-LBPRGKRZSA-N 0 0 245.432 3.557 20 0 BHADRN CSc1ccc(N(C)C(=O)CC2(C)CC2)cc1 ZINC000345993839 354835536 /nfs/dbraw/zinc/83/55/36/354835536.db2.gz HOAXWWCCZZUCDT-UHFFFAOYSA-N 0 0 249.379 3.562 20 0 BHADRN c1ccc2cc(-c3nc(C4CC4)no3)ccc2c1 ZINC000345999843 354836277 /nfs/dbraw/zinc/83/62/77/354836277.db2.gz OLWBZCQUMYHMKK-UHFFFAOYSA-N 0 0 236.274 3.767 20 0 BHADRN Cc1ccc2oc(-c3nc(C4CC4)no3)cc2c1 ZINC000346008226 386139378 /nfs/dbraw/zinc/13/93/78/386139378.db2.gz WEZQQCDSXPNXLS-UHFFFAOYSA-N 0 0 240.262 3.669 20 0 BHADRN CCc1sc(-c2nc(C3CC3)no2)cc1C ZINC000346008285 354838310 /nfs/dbraw/zinc/83/83/10/354838310.db2.gz XDKMOLBEWQNYPD-UHFFFAOYSA-N 0 0 234.324 3.546 20 0 BHADRN C/C(=C\c1nc(C2CC2)no1)c1ccc(F)cc1 ZINC000346010070 354838688 /nfs/dbraw/zinc/83/86/88/354838688.db2.gz YXYMGVDCJMBLMQ-CMDGGOBGSA-N 0 0 244.269 3.647 20 0 BHADRN Cc1cccc([C@@H](C)NC(=O)CC2(C)CC2)c1C ZINC000346016798 354840182 /nfs/dbraw/zinc/84/01/82/354840182.db2.gz SJFCVGLOXLNOQM-CYBMUJFWSA-N 0 0 245.366 3.671 20 0 BHADRN Cc1cccc([C@H](C)NC(=O)CC2(C)CC2)c1C ZINC000346016799 354840014 /nfs/dbraw/zinc/84/00/14/354840014.db2.gz SJFCVGLOXLNOQM-ZDUSSCGKSA-N 0 0 245.366 3.671 20 0 BHADRN C[C@H](CCC(C)(C)C)NC(=O)CC1(C)CC1 ZINC000346016846 354840176 /nfs/dbraw/zinc/84/01/76/354840176.db2.gz SPWWVFTVQBBGNC-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](CCC(C)(C)C)NC(=O)CC1(C)CC1 ZINC000346016847 354840218 /nfs/dbraw/zinc/84/02/18/354840218.db2.gz SPWWVFTVQBBGNC-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCSc1cccc(NC(=O)CC2(C)CC2)c1 ZINC000346020637 354828255 /nfs/dbraw/zinc/82/82/55/354828255.db2.gz RGHFZRBFBOWISW-UHFFFAOYSA-N 0 0 249.379 3.927 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CCNC(=O)CC1(C)CC1 ZINC000346020868 354828345 /nfs/dbraw/zinc/82/83/45/354828345.db2.gz YCHLNFZPZHISNH-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H]1CCCC[C@H]1CCNC(=O)CC1(C)CC1 ZINC000346020869 354828018 /nfs/dbraw/zinc/82/80/18/354828018.db2.gz YCHLNFZPZHISNH-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H]1CCCC[C@@H]1CCNC(=O)CC1(C)CC1 ZINC000346020870 135906522 /nfs/dbraw/zinc/90/65/22/135906522.db2.gz YCHLNFZPZHISNH-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H]1CCCC[C@H]1CCNC(=O)CC1(C)CC1 ZINC000346020871 354828322 /nfs/dbraw/zinc/82/83/22/354828322.db2.gz YCHLNFZPZHISNH-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CC1(CC(=O)N2CCCCc3ccccc32)CC1 ZINC000346026220 354829075 /nfs/dbraw/zinc/82/90/75/354829075.db2.gz CSNIWUPLNJUJSD-UHFFFAOYSA-N 0 0 243.350 3.546 20 0 BHADRN C[C@@H]1CCC[C@H](CCNC(=O)CC2(C)CC2)C1 ZINC000346043648 354842439 /nfs/dbraw/zinc/84/24/39/354842439.db2.gz XESQQRWHGGTJPU-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H]1CCC[C@@H](CCNC(=O)CC2(C)CC2)C1 ZINC000346043650 354842616 /nfs/dbraw/zinc/84/26/16/354842616.db2.gz XESQQRWHGGTJPU-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H]1CCC[C@H](CCNC(=O)CC2(C)CC2)C1 ZINC000346043653 354842778 /nfs/dbraw/zinc/84/27/78/354842778.db2.gz XESQQRWHGGTJPU-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H]1CCC[C@@H](CCNC(=O)CC2(C)CC2)C1 ZINC000346043655 354842430 /nfs/dbraw/zinc/84/24/30/354842430.db2.gz XESQQRWHGGTJPU-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H](C)C[S@](=O)C1CCC(C)(C)CC1 ZINC000346088360 386143555 /nfs/dbraw/zinc/14/35/55/386143555.db2.gz WGMZYYKEDUYMCY-ABAIWWIYSA-N 0 0 230.417 3.750 20 0 BHADRN CC[C@@H](C)C[S@@](=O)C1CCC(C)(C)CC1 ZINC000346088367 386144155 /nfs/dbraw/zinc/14/41/55/386144155.db2.gz WGMZYYKEDUYMCY-IAQYHMDHSA-N 0 0 230.417 3.750 20 0 BHADRN CC[C@H](C)C[S@](=O)C1CCC(C)(C)CC1 ZINC000346088369 171300414 /nfs/dbraw/zinc/30/04/14/171300414.db2.gz WGMZYYKEDUYMCY-NHYWBVRUSA-N 0 0 230.417 3.750 20 0 BHADRN CC[C@H](C)C[S@@](=O)C1CCC(C)(C)CC1 ZINC000346088370 171299554 /nfs/dbraw/zinc/29/95/54/171299554.db2.gz WGMZYYKEDUYMCY-XHDPSFHLSA-N 0 0 230.417 3.750 20 0 BHADRN CC1(C)CCC([S@@](=O)CC2CCCC2)CC1 ZINC000346092813 386143504 /nfs/dbraw/zinc/14/35/04/386143504.db2.gz YPFABIRVQOSBOU-INIZCTEOSA-N 0 0 242.428 3.894 20 0 BHADRN CC1(C)CCC([S@](=O)CC2CCCC2)CC1 ZINC000346092826 386142667 /nfs/dbraw/zinc/14/26/67/386142667.db2.gz YPFABIRVQOSBOU-MRXNPFEDSA-N 0 0 242.428 3.894 20 0 BHADRN CC1(C)CCC([S@@](=O)CCC2CC2)CC1 ZINC000346097124 386145798 /nfs/dbraw/zinc/14/57/98/386145798.db2.gz PWSDASZIHYFMPH-HNNXBMFYSA-N 0 0 228.401 3.504 20 0 BHADRN CC1(C)CCC([S@](=O)CCC2CC2)CC1 ZINC000346097127 386146207 /nfs/dbraw/zinc/14/62/07/386146207.db2.gz PWSDASZIHYFMPH-OAHLLOKOSA-N 0 0 228.401 3.504 20 0 BHADRN Cc1occc1C(=O)N(CC(C)C)C1CCCC1 ZINC000346104202 386147480 /nfs/dbraw/zinc/14/74/80/386147480.db2.gz QHAABWONQNOGDN-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN CCCC[S@](=O)C1CCC(C)(C)CC1 ZINC000346104250 169015982 /nfs/dbraw/zinc/01/59/82/169015982.db2.gz WIIZRHBSUUQLBT-AWEZNQCLSA-N 0 0 216.390 3.504 20 0 BHADRN CCCC[S@@](=O)C1CCC(C)(C)CC1 ZINC000346104251 169016060 /nfs/dbraw/zinc/01/60/60/169016060.db2.gz WIIZRHBSUUQLBT-CQSZACIVSA-N 0 0 216.390 3.504 20 0 BHADRN CC1(C)CC[C@H]1NC(=O)C(C1CCC1)C1CCC1 ZINC000346112886 354866426 /nfs/dbraw/zinc/86/64/26/354866426.db2.gz CYHNRDLDGZDULA-CYBMUJFWSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CC[C@@H]1NC(=O)C(C1CCC1)C1CCC1 ZINC000346112891 354866557 /nfs/dbraw/zinc/86/65/57/354866557.db2.gz CYHNRDLDGZDULA-ZDUSSCGKSA-N 0 0 249.398 3.508 20 0 BHADRN CCC1(CNC(=O)C[C@H]2CCC[C@H]2C)CCC1 ZINC000346113376 168469632 /nfs/dbraw/zinc/46/96/32/168469632.db2.gz YZBRXRUISUFXGR-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(CNC(=O)C[C@@H]2CCC[C@H]2C)CCC1 ZINC000346113377 386152309 /nfs/dbraw/zinc/15/23/09/386152309.db2.gz YZBRXRUISUFXGR-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(CNC(=O)C[C@H]2CCC[C@@H]2C)CCC1 ZINC000346113379 168469870 /nfs/dbraw/zinc/46/98/70/168469870.db2.gz YZBRXRUISUFXGR-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(CNC(=O)C[C@@H]2CCC[C@@H]2C)CCC1 ZINC000346113380 386153259 /nfs/dbraw/zinc/15/32/59/386153259.db2.gz YZBRXRUISUFXGR-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CCC[C@@]1(C)CCCN(C(=O)CC2(C)CC2)C1 ZINC000346115451 386155463 /nfs/dbraw/zinc/15/54/63/386155463.db2.gz CNSKGJUUWHKSRR-HNNXBMFYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@]1(C)CCCN(C(=O)CC2(C)CC2)C1 ZINC000346115452 386155921 /nfs/dbraw/zinc/15/59/21/386155921.db2.gz CNSKGJUUWHKSRR-OAHLLOKOSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)NC1CCC(C)CC1 ZINC000346115500 168161171 /nfs/dbraw/zinc/16/11/71/168161171.db2.gz CWBCEFDWNMQTRM-CEUNDQEZSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)NC1CCC(C)CC1 ZINC000346115501 168161646 /nfs/dbraw/zinc/16/16/46/168161646.db2.gz CWBCEFDWNMQTRM-DKNRTOFZSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@H]1CC(=O)NC1CCC(C)CC1 ZINC000346115502 168161495 /nfs/dbraw/zinc/16/14/95/168161495.db2.gz CWBCEFDWNMQTRM-QPPOZKHWSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@@H]1CC(=O)NC1CCC(C)CC1 ZINC000346115503 168161781 /nfs/dbraw/zinc/16/17/81/168161781.db2.gz CWBCEFDWNMQTRM-YIFLHPOLSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)NCC12CCC(CC1)C2 ZINC000346122429 176126642 /nfs/dbraw/zinc/12/66/42/176126642.db2.gz XOBJTTBSHRSFGX-ILTLLKDXSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H]1CCC[C@@H]1CC(=O)NCC12CCC(CC1)C2 ZINC000346122430 177123895 /nfs/dbraw/zinc/12/38/95/177123895.db2.gz XOBJTTBSHRSFGX-PGOFDVKTSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H]1CCC[C@H]1CC(=O)NCC12CCC(CC1)C2 ZINC000346122431 177139753 /nfs/dbraw/zinc/13/97/53/177139753.db2.gz XOBJTTBSHRSFGX-REWIBIJMSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)NCC12CCC(CC1)C2 ZINC000346122432 176147265 /nfs/dbraw/zinc/14/72/65/176147265.db2.gz XOBJTTBSHRSFGX-RXFTYZNJSA-N 0 0 249.398 3.509 20 0 BHADRN CC(C)Cc1noc(/C=C\c2cccs2)n1 ZINC000346125951 386157336 /nfs/dbraw/zinc/15/73/36/386157336.db2.gz ZQMBGHLDNZNTNL-WAYWQWQTSA-N 0 0 234.324 3.500 20 0 BHADRN CC1(CC(=O)NCCCCC2CCCC2)CC1 ZINC000346127318 168016705 /nfs/dbraw/zinc/01/67/05/168016705.db2.gz UPEDGCGVWUPJQH-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCCC1(C(=O)N2CCC[C@@H](C)[C@H]2C)CCC1 ZINC000346128511 386158337 /nfs/dbraw/zinc/15/83/37/386158337.db2.gz LFYBUWBIUMFUPA-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N2CCC[C@@H](C)[C@@H]2C)CCC1 ZINC000346128512 386158513 /nfs/dbraw/zinc/15/85/13/386158513.db2.gz LFYBUWBIUMFUPA-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N2CCC[C@H](C)[C@H]2C)CCC1 ZINC000346128513 386158817 /nfs/dbraw/zinc/15/88/17/386158817.db2.gz LFYBUWBIUMFUPA-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N2CCC[C@H](C)[C@@H]2C)CCC1 ZINC000346128514 386158705 /nfs/dbraw/zinc/15/87/05/386158705.db2.gz LFYBUWBIUMFUPA-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)c1cnc(C[N@@H+](C)[C@@H](C)C(C)C)s1 ZINC000346129786 386163019 /nfs/dbraw/zinc/16/30/19/386163019.db2.gz HJSRQEFLIAPACN-NSHDSACASA-N 0 0 240.416 3.743 20 0 BHADRN CCCC[C@H](C)c1nc(-c2cccc(C)n2)no1 ZINC000346132411 538475818 /nfs/dbraw/zinc/47/58/18/538475818.db2.gz LLPRMNSQSTZYAT-JTQLQIEISA-N 0 0 245.326 3.734 20 0 BHADRN CCCC[C@@H](C)c1nc(-c2cccc(C)n2)no1 ZINC000346132422 538475841 /nfs/dbraw/zinc/47/58/41/538475841.db2.gz LLPRMNSQSTZYAT-SNVBAGLBSA-N 0 0 245.326 3.734 20 0 BHADRN CC[C@H]1CCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000346132464 386163905 /nfs/dbraw/zinc/16/39/05/386163905.db2.gz LPZJZZKELMPJOF-NSHDSACASA-N 0 0 238.400 3.641 20 0 BHADRN CCc1cnc(C[N@H+](CC(C)C)C(C)C)s1 ZINC000346140201 354870984 /nfs/dbraw/zinc/87/09/84/354870984.db2.gz XDOQBQGASSTODX-UHFFFAOYSA-N 0 0 240.416 3.572 20 0 BHADRN CCCC1(C(=O)N2C[C@H](C)CC[C@H]2C)CCC1 ZINC000346148946 386168176 /nfs/dbraw/zinc/16/81/76/386168176.db2.gz JMJDLBFHLZKYIR-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N2C[C@H](C)CC[C@@H]2C)CCC1 ZINC000346148948 386168278 /nfs/dbraw/zinc/16/82/78/386168278.db2.gz JMJDLBFHLZKYIR-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N2C[C@@H](C)CC[C@H]2C)CCC1 ZINC000346148950 386168740 /nfs/dbraw/zinc/16/87/40/386168740.db2.gz JMJDLBFHLZKYIR-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N2C[C@@H](C)CC[C@@H]2C)CCC1 ZINC000346148951 386169408 /nfs/dbraw/zinc/16/94/08/386169408.db2.gz JMJDLBFHLZKYIR-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H](CC)c1ccccc1 ZINC000346153302 386168659 /nfs/dbraw/zinc/16/86/59/386168659.db2.gz COWHOSLZZJMPDW-GXTWGEPZSA-N 0 0 233.355 3.690 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000346153303 386167821 /nfs/dbraw/zinc/16/78/21/386167821.db2.gz COWHOSLZZJMPDW-JSGCOSHPSA-N 0 0 233.355 3.690 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000346153304 169352021 /nfs/dbraw/zinc/35/20/21/169352021.db2.gz COWHOSLZZJMPDW-OCCSQVGLSA-N 0 0 233.355 3.690 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@H](CC)c1ccccc1 ZINC000346153305 169352033 /nfs/dbraw/zinc/35/20/33/169352033.db2.gz COWHOSLZZJMPDW-TZMCWYRMSA-N 0 0 233.355 3.690 20 0 BHADRN CC(C)CC(=O)N(CC(C)C)c1ccccc1 ZINC000346154705 386169245 /nfs/dbraw/zinc/16/92/45/386169245.db2.gz QAQCAXZHFDMGTF-UHFFFAOYSA-N 0 0 233.355 3.722 20 0 BHADRN Cc1ccnc(N[C@@H]2CSc3ccccc32)c1 ZINC000346158933 386171739 /nfs/dbraw/zinc/17/17/39/386171739.db2.gz CSKGCTFGEQVKPU-GFCCVEGCSA-N 0 0 242.347 3.649 20 0 BHADRN Cc1ccnc(N[C@H]2CSc3ccccc32)c1 ZINC000346158938 386171035 /nfs/dbraw/zinc/17/10/35/386171035.db2.gz CSKGCTFGEQVKPU-LBPRGKRZSA-N 0 0 242.347 3.649 20 0 BHADRN CCCC(C)(C)CC(=O)N(C)c1ccc(C)cn1 ZINC000346161259 386171847 /nfs/dbraw/zinc/17/18/47/386171847.db2.gz FJLIUMMLWNAOCP-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CC1(C)CCN(C(=O)CC2CC2)c2ccccc21 ZINC000346166497 132242906 /nfs/dbraw/zinc/24/29/06/132242906.db2.gz JOWCUSWSMUKIIZ-UHFFFAOYSA-N 0 0 243.350 3.501 20 0 BHADRN CC/C=C\CCn1cnc2cc(F)c(F)cc21 ZINC000346169205 365962261 /nfs/dbraw/zinc/96/22/61/365962261.db2.gz AGFCZTWDPXDINX-ARJAWSKDSA-N 0 0 236.265 3.671 20 0 BHADRN CC[C@H](NC(=O)CCC(C)C)c1ccccc1 ZINC000346170211 171496827 /nfs/dbraw/zinc/49/68/27/171496827.db2.gz FDDKOXJNURPOMS-AWEZNQCLSA-N 0 0 233.355 3.690 20 0 BHADRN CC[C@@H](NC(=O)CCC(C)C)c1ccccc1 ZINC000346170226 386174547 /nfs/dbraw/zinc/17/45/47/386174547.db2.gz FDDKOXJNURPOMS-CQSZACIVSA-N 0 0 233.355 3.690 20 0 BHADRN Cc1cccc(-c2noc([C@@H](C)CC(C)C)n2)n1 ZINC000346172216 538488484 /nfs/dbraw/zinc/48/84/84/538488484.db2.gz LEMPKBWCOKWXOU-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1cccc(-c2noc([C@H](C)CC(C)C)n2)n1 ZINC000346172217 538488735 /nfs/dbraw/zinc/48/87/35/538488735.db2.gz LEMPKBWCOKWXOU-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN C[C@H](CCC1CC1)Nc1cnc2ccccc2n1 ZINC000346174168 176617657 /nfs/dbraw/zinc/61/76/57/176617657.db2.gz FXQTWLCQDAQWKW-LLVKDONJSA-N 0 0 241.338 3.620 20 0 BHADRN C[C@@H](CCC1CC1)Nc1cnc2ccccc2n1 ZINC000346174169 388519655 /nfs/dbraw/zinc/51/96/55/388519655.db2.gz FXQTWLCQDAQWKW-NSHDSACASA-N 0 0 241.338 3.620 20 0 BHADRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CC1(C)CC1 ZINC000346184373 176051215 /nfs/dbraw/zinc/05/12/15/176051215.db2.gz GRRRIOBZQZNDOL-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CC1(C)CC1 ZINC000346184375 177063457 /nfs/dbraw/zinc/06/34/57/177063457.db2.gz GRRRIOBZQZNDOL-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CC1(C)CC1 ZINC000346184377 177063395 /nfs/dbraw/zinc/06/33/95/177063395.db2.gz GRRRIOBZQZNDOL-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CC1(C)CC1 ZINC000346184378 176051668 /nfs/dbraw/zinc/05/16/68/176051668.db2.gz GRRRIOBZQZNDOL-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN CC1(C(=O)N2CCC(C)(C)c3ccccc32)CC1 ZINC000346186188 132242983 /nfs/dbraw/zinc/24/29/83/132242983.db2.gz YKVGUBZZPPQEPY-UHFFFAOYSA-N 0 0 243.350 3.501 20 0 BHADRN CC(C)(C)CCC(=O)N1CCCc2ccccc21 ZINC000346191142 132243234 /nfs/dbraw/zinc/24/32/34/132243234.db2.gz OHZFZZDSLJHKRU-UHFFFAOYSA-N 0 0 245.366 3.792 20 0 BHADRN CC1(CC(=O)N(CC2CC2)c2ccccc2)CC1 ZINC000346203455 168015904 /nfs/dbraw/zinc/01/59/04/168015904.db2.gz ZYSPGHCSMUWEAT-UHFFFAOYSA-N 0 0 243.350 3.620 20 0 BHADRN Clc1cccc(Cc2noc(C3CCC3)n2)c1 ZINC000346208061 386186454 /nfs/dbraw/zinc/18/64/54/386186454.db2.gz WSBCCIPPNCJXCX-UHFFFAOYSA-N 0 0 248.713 3.581 20 0 BHADRN CC(C)c1cc(N[C@H](C)CCC2CC2)ncn1 ZINC000346211218 388519698 /nfs/dbraw/zinc/51/96/98/388519698.db2.gz BXRACTRYIDWAPD-LLVKDONJSA-N 0 0 233.359 3.591 20 0 BHADRN CC(C)c1cc(N[C@@H](C)CCC2CC2)ncn1 ZINC000346211220 388518900 /nfs/dbraw/zinc/51/89/00/388518900.db2.gz BXRACTRYIDWAPD-NSHDSACASA-N 0 0 233.359 3.591 20 0 BHADRN CC/C=C\CCOc1cccc(-n2ccnc2)c1 ZINC000346211659 386187951 /nfs/dbraw/zinc/18/79/51/386187951.db2.gz IGRUWUYYLPOQQO-ARJAWSKDSA-N 0 0 242.322 3.607 20 0 BHADRN CC/C=C/CCOc1cccc(-n2ccnc2)c1 ZINC000346211660 386187927 /nfs/dbraw/zinc/18/79/27/386187927.db2.gz IGRUWUYYLPOQQO-ONEGZZNKSA-N 0 0 242.322 3.607 20 0 BHADRN CC/C=C\CCn1ccc(-c2ccsc2)n1 ZINC000346218759 637080884 /nfs/dbraw/zinc/08/08/84/637080884.db2.gz MVSOFGHWJHPBQW-ARJAWSKDSA-N 0 0 232.352 3.968 20 0 BHADRN CC/C=C/CCn1ccc(-c2ccsc2)n1 ZINC000346218761 636261418 /nfs/dbraw/zinc/26/14/18/636261418.db2.gz MVSOFGHWJHPBQW-ONEGZZNKSA-N 0 0 232.352 3.968 20 0 BHADRN Cc1ccnc(N[C@@H](C)c2c(F)cccc2F)c1 ZINC000346222018 386175924 /nfs/dbraw/zinc/17/59/24/386175924.db2.gz LIPAKJJHHSHMLM-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1ccnc(N[C@H](C)c2c(F)cccc2F)c1 ZINC000346222020 386175389 /nfs/dbraw/zinc/17/53/89/386175389.db2.gz LIPAKJJHHSHMLM-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cccc(N[C@@H]2CSc3ccccc32)n1 ZINC000346222624 179154925 /nfs/dbraw/zinc/15/49/25/179154925.db2.gz LZWMSBRDDITONL-GFCCVEGCSA-N 0 0 242.347 3.649 20 0 BHADRN Cc1cccc(N[C@H]2CSc3ccccc32)n1 ZINC000346222626 179158438 /nfs/dbraw/zinc/15/84/38/179158438.db2.gz LZWMSBRDDITONL-LBPRGKRZSA-N 0 0 242.347 3.649 20 0 BHADRN CC(C)Cc1noc(/C=C\c2ccsc2)n1 ZINC000346228032 188052224 /nfs/dbraw/zinc/05/22/24/188052224.db2.gz JEPJZBHGJPTJAD-ARJAWSKDSA-N 0 0 234.324 3.500 20 0 BHADRN CC(C)Cc1noc(/C=C/c2ccsc2)n1 ZINC000346228035 191929330 /nfs/dbraw/zinc/92/93/30/191929330.db2.gz JEPJZBHGJPTJAD-ONEGZZNKSA-N 0 0 234.324 3.500 20 0 BHADRN Cc1ccnc(N[C@H](c2cccnc2)C(C)C)c1 ZINC000346229950 386175713 /nfs/dbraw/zinc/17/57/13/386175713.db2.gz SRACXHUCHQEARR-HNNXBMFYSA-N 0 0 241.338 3.594 20 0 BHADRN CCC(CC)N(CC)C(=O)CC[C@@H](C)SC ZINC000346230697 168370607 /nfs/dbraw/zinc/37/06/07/168370607.db2.gz BHZAKUZEESFQGD-LLVKDONJSA-N 0 0 245.432 3.555 20 0 BHADRN CCC(CC)N(CC)C(=O)CC[C@H](C)SC ZINC000346230700 168370412 /nfs/dbraw/zinc/37/04/12/168370412.db2.gz BHZAKUZEESFQGD-NSHDSACASA-N 0 0 245.432 3.555 20 0 BHADRN C[C@@H](CCC1CC1)Nc1nccc2occc21 ZINC000346232125 388519705 /nfs/dbraw/zinc/51/97/05/388519705.db2.gz YPZSWZWLIMCXTQ-JTQLQIEISA-N 0 0 230.311 3.818 20 0 BHADRN C[C@H](CCC1CC1)Nc1nccc2occc21 ZINC000346232126 176618066 /nfs/dbraw/zinc/61/80/66/176618066.db2.gz YPZSWZWLIMCXTQ-SNVBAGLBSA-N 0 0 230.311 3.818 20 0 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386181106 /nfs/dbraw/zinc/18/11/06/386181106.db2.gz NJJYYPJUXSDJAO-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CC1(C)CC1 ZINC000346241183 386181487 /nfs/dbraw/zinc/18/14/87/386181487.db2.gz NJJYYPJUXSDJAO-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCC[C@H]1N(C)C(=O)CC1(C)CC1 ZINC000346241184 386181746 /nfs/dbraw/zinc/18/17/46/386181746.db2.gz NJJYYPJUXSDJAO-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CC1(C)CC1 ZINC000346241185 187363348 /nfs/dbraw/zinc/36/33/48/187363348.db2.gz NJJYYPJUXSDJAO-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(C)n1 ZINC000346241398 386182789 /nfs/dbraw/zinc/18/27/89/386182789.db2.gz RARWHPXXTPUTRC-HNNXBMFYSA-N 0 0 238.334 3.798 20 0 BHADRN Cc1ccc2c(c1)CC[C@H]2Nc1cccc(C)n1 ZINC000346241399 386181218 /nfs/dbraw/zinc/18/12/18/386181218.db2.gz RARWHPXXTPUTRC-OAHLLOKOSA-N 0 0 238.334 3.798 20 0 BHADRN CCC(CC)N(CC)C(=O)c1ccc(C)cc1 ZINC000346242876 168370379 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237.387 3.604 20 0 BHADRN CCC[C@H](C)[C@H]1CCCN1C(=O)CC1(C)CC1 ZINC000346248881 354878652 /nfs/dbraw/zinc/87/86/52/354878652.db2.gz PTLZPVQDQNPEPE-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1C(=O)CC1(C)CC1 ZINC000346248884 354878969 /nfs/dbraw/zinc/87/89/69/354878969.db2.gz PTLZPVQDQNPEPE-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)CC[C@H]1CCCN1C(=O)CC1(C)CC1 ZINC000346248957 354878805 /nfs/dbraw/zinc/87/88/05/354878805.db2.gz VVAKTISDHORUMK-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)CC[C@@H]1CCCN1C(=O)CC1(C)CC1 ZINC000346248958 354878950 /nfs/dbraw/zinc/87/89/50/354878950.db2.gz VVAKTISDHORUMK-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1cccc(N[C@@H](C)c2c(F)cccc2F)n1 ZINC000346251148 354879748 /nfs/dbraw/zinc/87/97/48/354879748.db2.gz YHKJJBHEUSZGTC-JTQLQIEISA-N 0 0 248.276 3.841 20 0 BHADRN Cc1cccc(N[C@H](C)c2c(F)cccc2F)n1 ZINC000346251150 354879729 /nfs/dbraw/zinc/87/97/29/354879729.db2.gz YHKJJBHEUSZGTC-SNVBAGLBSA-N 0 0 248.276 3.841 20 0 BHADRN CC1CCC(c2noc(CC3(C)CC3)n2)CC1 ZINC000346253069 354880738 /nfs/dbraw/zinc/88/07/38/354880738.db2.gz NECRRBZLVKHVMP-UHFFFAOYSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1CCC[C@@H](c2noc(CC3(C)CC3)n2)C1 ZINC000346255783 354881594 /nfs/dbraw/zinc/88/15/94/354881594.db2.gz SAEZKWRRLBTZTB-GHMZBOCLSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1CCC[C@H](c2noc(CC3(C)CC3)n2)C1 ZINC000346255784 354881355 /nfs/dbraw/zinc/88/13/55/354881355.db2.gz SAEZKWRRLBTZTB-MNOVXSKESA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1CCC[C@H](c2noc(CC3(C)CC3)n2)C1 ZINC000346255796 354881726 /nfs/dbraw/zinc/88/17/26/354881726.db2.gz SAEZKWRRLBTZTB-QWRGUYRKSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1CCC[C@@H](c2noc(CC3(C)CC3)n2)C1 ZINC000346255797 135915680 /nfs/dbraw/zinc/91/56/80/135915680.db2.gz SAEZKWRRLBTZTB-WDEREUQCSA-N 0 0 234.343 3.706 20 0 BHADRN CCC(CC)N(CC)C(=O)c1oc(C)cc1C ZINC000346258160 354882475 /nfs/dbraw/zinc/88/24/75/354882475.db2.gz KZASNHLEQSTUDO-UHFFFAOYSA-N 0 0 237.343 3.547 20 0 BHADRN CC(C)CC1(CNC(=O)CC2(C)CC2)CCC1 ZINC000346262468 354883863 /nfs/dbraw/zinc/88/38/63/354883863.db2.gz OPGJMTHSUPGKTB-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1cc(-c2nc([C@@H]3CCC[C@H](C)C3)no2)co1 ZINC000346264064 354884811 /nfs/dbraw/zinc/88/48/11/354884811.db2.gz CXACTYGDOUHWIF-GXSJLCMTSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cc(-c2nc([C@H]3CCC[C@@H](C)C3)no2)co1 ZINC000346264066 354884673 /nfs/dbraw/zinc/88/46/73/354884673.db2.gz CXACTYGDOUHWIF-KOLCDFICSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cc(-c2nc([C@@H]3CCC[C@@H](C)C3)no2)co1 ZINC000346264067 354884638 /nfs/dbraw/zinc/88/46/38/354884638.db2.gz CXACTYGDOUHWIF-MWLCHTKSSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cc(-c2nc([C@H]3CCC[C@H](C)C3)no2)co1 ZINC000346264069 354884898 /nfs/dbraw/zinc/88/48/98/354884898.db2.gz CXACTYGDOUHWIF-ONGXEEELSA-N 0 0 246.310 3.932 20 0 BHADRN COc1ccccc1[C@@H](C)Nc1cc(C)ccn1 ZINC000346266101 354884868 /nfs/dbraw/zinc/88/48/68/354884868.db2.gz OQDRCTINHRHAKZ-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccccc1[C@H](C)Nc1cc(C)ccn1 ZINC000346266106 354884614 /nfs/dbraw/zinc/88/46/14/354884614.db2.gz OQDRCTINHRHAKZ-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN CCN(C(=O)CC1CCCC1)c1ccccc1F ZINC000346267823 354885981 /nfs/dbraw/zinc/88/59/81/354885981.db2.gz KNPIQUZKEJBMBS-UHFFFAOYSA-N 0 0 249.329 3.759 20 0 BHADRN CCN(C(=O)CCC(C)C)c1ccccc1F ZINC000346269947 354886698 /nfs/dbraw/zinc/88/66/98/354886698.db2.gz MUTCYUPIAGOISR-UHFFFAOYSA-N 0 0 237.318 3.615 20 0 BHADRN Cc1ccnc(N[C@H]2CCc3c2cccc3F)c1 ZINC000346286371 386189842 /nfs/dbraw/zinc/18/98/42/386189842.db2.gz ZHHWBGHZFWEEAE-AWEZNQCLSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccnc(N[C@@H]2CCc3c2cccc3F)c1 ZINC000346286372 386189760 /nfs/dbraw/zinc/18/97/60/386189760.db2.gz ZHHWBGHZFWEEAE-CQSZACIVSA-N 0 0 242.297 3.629 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)Nc2ccsc2)C1 ZINC000346298981 176116019 /nfs/dbraw/zinc/11/60/19/176116019.db2.gz PIWBFRLBNJNGLC-GHMZBOCLSA-N 0 0 237.368 3.903 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)Nc2ccsc2)C1 ZINC000346298984 176136128 /nfs/dbraw/zinc/13/61/28/176136128.db2.gz PIWBFRLBNJNGLC-MNOVXSKESA-N 0 0 237.368 3.903 20 0 BHADRN C[C@H]1CCC[C@H](CC(=O)Nc2ccsc2)C1 ZINC000346298986 177132226 /nfs/dbraw/zinc/13/22/26/177132226.db2.gz PIWBFRLBNJNGLC-QWRGUYRKSA-N 0 0 237.368 3.903 20 0 BHADRN C[C@H]1CCC[C@@H](CC(=O)Nc2ccsc2)C1 ZINC000346298987 177118308 /nfs/dbraw/zinc/11/83/08/177118308.db2.gz PIWBFRLBNJNGLC-WDEREUQCSA-N 0 0 237.368 3.903 20 0 BHADRN Cc1ccccc1CN(C(=O)CC(C)C)C1CC1 ZINC000346300503 179267533 /nfs/dbraw/zinc/26/75/33/179267533.db2.gz OSXCQBUSDLKWTR-UHFFFAOYSA-N 0 0 245.366 3.532 20 0 BHADRN CCCN(CC)C(=O)c1csc2ccccc12 ZINC000346308027 354892179 /nfs/dbraw/zinc/89/21/79/354892179.db2.gz GOXODZARDIYLBO-UHFFFAOYSA-N 0 0 247.363 3.773 20 0 BHADRN CSc1ccc(C(=O)Nc2ccsc2)cc1 ZINC000346309066 354892028 /nfs/dbraw/zinc/89/20/28/354892028.db2.gz ZESXGTVXKZLXAE-UHFFFAOYSA-N 0 0 249.360 3.722 20 0 BHADRN CC1CCC(CC(=O)Nc2ccsc2)CC1 ZINC000346309129 135917893 /nfs/dbraw/zinc/91/78/93/135917893.db2.gz ZIGHTNUWBLRWDQ-UHFFFAOYSA-N 0 0 237.368 3.903 20 0 BHADRN CCCC[C@@H](NC(=O)CC1(C)CC1)C1CCC1 ZINC000346312727 534906891 /nfs/dbraw/zinc/90/68/91/534906891.db2.gz WQBOWFOMNPTBKL-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@H](NC(=O)CC1(C)CC1)C1CCC1 ZINC000346312732 135918356 /nfs/dbraw/zinc/91/83/56/135918356.db2.gz WQBOWFOMNPTBKL-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN CCCc1ccc(C(=O)N(CC)CCC)cc1 ZINC000346318153 354895191 /nfs/dbraw/zinc/89/51/91/354895191.db2.gz WATSYSZJUIZSAR-UHFFFAOYSA-N 0 0 233.355 3.511 20 0 BHADRN c1cn(CC2CCCCC2)nc1-c1ccccn1 ZINC000346342759 354901136 /nfs/dbraw/zinc/90/11/36/354901136.db2.gz GMXNFXJLGRBERI-UHFFFAOYSA-N 0 0 241.338 3.525 20 0 BHADRN CCCC1(C(=O)N2CCC(C)(C)CC2)CCC1 ZINC000346345412 135920644 /nfs/dbraw/zinc/92/06/44/135920644.db2.gz HOVPUOPBQLTEOB-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1ccc(OCc2sccc2Cl)cn1 ZINC000346351412 354888486 /nfs/dbraw/zinc/88/84/86/354888486.db2.gz OAWAPGPBZJRHPX-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN Cc1ncccc1OCc1sccc1Cl ZINC000346352860 354888794 /nfs/dbraw/zinc/88/87/94/354888794.db2.gz QPQYHTLMTFXXJS-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN CCc1ccccc1C(=O)N1CCC(C)(C)CC1 ZINC000346353293 135917395 /nfs/dbraw/zinc/91/73/95/135917395.db2.gz RZOKAJGDXVFQSI-UHFFFAOYSA-N 0 0 245.366 3.511 20 0 BHADRN CC[C@@H](C)C[S@](=O)CCCC(C)(C)C ZINC000346370516 354902082 /nfs/dbraw/zinc/90/20/82/354902082.db2.gz HTAQKWXRBJPRRR-BXUZGUMPSA-N 0 0 218.406 3.608 20 0 BHADRN CC[C@H](C)C[S@@](=O)CCCC(C)(C)C ZINC000346370528 135920526 /nfs/dbraw/zinc/92/05/26/135920526.db2.gz HTAQKWXRBJPRRR-FZMZJTMJSA-N 0 0 218.406 3.608 20 0 BHADRN CC[C@@H](C)C[S@@](=O)CCCC(C)(C)C ZINC000346370530 354902201 /nfs/dbraw/zinc/90/22/01/354902201.db2.gz HTAQKWXRBJPRRR-RISCZKNCSA-N 0 0 218.406 3.608 20 0 BHADRN CC[C@H](C)C[S@](=O)CCCC(C)(C)C ZINC000346370531 354902386 /nfs/dbraw/zinc/90/23/86/354902386.db2.gz HTAQKWXRBJPRRR-SMDDNHRTSA-N 0 0 218.406 3.608 20 0 BHADRN Cc1ccccc1[S@@](=O)CCCC(C)(C)C ZINC000346372775 135920465 /nfs/dbraw/zinc/92/04/65/135920465.db2.gz JBGZAUZRRAHGTJ-INIZCTEOSA-N 0 0 238.396 3.929 20 0 BHADRN Cc1ccccc1[S@](=O)CCCC(C)(C)C ZINC000346372784 354903277 /nfs/dbraw/zinc/90/32/77/354903277.db2.gz JBGZAUZRRAHGTJ-MRXNPFEDSA-N 0 0 238.396 3.929 20 0 BHADRN Cc1cccc([S@@](=O)CCCC(C)(C)C)c1 ZINC000346377155 354903753 /nfs/dbraw/zinc/90/37/53/354903753.db2.gz LJBBDHYHQWVRDZ-INIZCTEOSA-N 0 0 238.396 3.929 20 0 BHADRN Cc1cccc([S@](=O)CCCC(C)(C)C)c1 ZINC000346377156 354903940 /nfs/dbraw/zinc/90/39/40/354903940.db2.gz LJBBDHYHQWVRDZ-MRXNPFEDSA-N 0 0 238.396 3.929 20 0 BHADRN CCc1ccc(NC(=O)CC2(C)CC2)cc1F ZINC000346377411 135921035 /nfs/dbraw/zinc/92/10/35/135921035.db2.gz HDRJYKXMUFFARM-UHFFFAOYSA-N 0 0 235.302 3.517 20 0 BHADRN CCN(Cc1ccc(F)cn1)c1cccc(C)c1 ZINC000346381304 135921261 /nfs/dbraw/zinc/92/12/61/135921261.db2.gz ILQDVZDGTQLWAT-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN Cc1ccc([S@@](=O)CCCC(C)(C)C)cc1 ZINC000346381511 354906277 /nfs/dbraw/zinc/90/62/77/354906277.db2.gz MTPANQUNXVMATN-INIZCTEOSA-N 0 0 238.396 3.929 20 0 BHADRN Cc1ccc([S@](=O)CCCC(C)(C)C)cc1 ZINC000346381513 135921366 /nfs/dbraw/zinc/92/13/66/135921366.db2.gz MTPANQUNXVMATN-MRXNPFEDSA-N 0 0 238.396 3.929 20 0 BHADRN CC(C)CC[S@@](=O)CCCC(C)(C)C ZINC000346383026 354906236 /nfs/dbraw/zinc/90/62/36/354906236.db2.gz PEOVXVAJDHQCTA-AWEZNQCLSA-N 0 0 218.406 3.608 20 0 BHADRN CC(C)CC[S@](=O)CCCC(C)(C)C ZINC000346383029 354906272 /nfs/dbraw/zinc/90/62/72/354906272.db2.gz PEOVXVAJDHQCTA-CQSZACIVSA-N 0 0 218.406 3.608 20 0 BHADRN CC1(CC(=O)NCC2CCC(C)(C)CC2)CC1 ZINC000346383469 354906052 /nfs/dbraw/zinc/90/60/52/354906052.db2.gz LGOIYTZGHVCGHS-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCC(CC)[S@@](=O)CCCC(C)(C)C ZINC000346383925 354906844 /nfs/dbraw/zinc/90/68/44/354906844.db2.gz PKXIAEZPZLAIDN-AWEZNQCLSA-N 0 0 218.406 3.750 20 0 BHADRN CCC(CC)[S@](=O)CCCC(C)(C)C ZINC000346383926 354907154 /nfs/dbraw/zinc/90/71/54/354907154.db2.gz PKXIAEZPZLAIDN-CQSZACIVSA-N 0 0 218.406 3.750 20 0 BHADRN CC(C)(C)CCC[S@](=O)C1CCCCC1 ZINC000346383965 354906728 /nfs/dbraw/zinc/90/67/28/354906728.db2.gz PQAAPFQCCCRYOF-HNNXBMFYSA-N 0 0 230.417 3.894 20 0 BHADRN CC(C)(C)CCC[S@@](=O)C1CCCCC1 ZINC000346383967 354906856 /nfs/dbraw/zinc/90/68/56/354906856.db2.gz PQAAPFQCCCRYOF-OAHLLOKOSA-N 0 0 230.417 3.894 20 0 BHADRN CCN(Cc1ccc(F)cn1)c1ccccc1C ZINC000346390106 135922227 /nfs/dbraw/zinc/92/22/27/135922227.db2.gz SDOUVZIDIKWGSG-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CC(C)(C)CCC[S@](=O)C1CCCC1 ZINC000346392235 135922675 /nfs/dbraw/zinc/92/26/75/135922675.db2.gz XDVUATQNFFMNBP-AWEZNQCLSA-N 0 0 216.390 3.504 20 0 BHADRN CC(C)(C)CCC[S@@](=O)C1CCCC1 ZINC000346392236 135922695 /nfs/dbraw/zinc/92/26/95/135922695.db2.gz XDVUATQNFFMNBP-CQSZACIVSA-N 0 0 216.390 3.504 20 0 BHADRN Cc1cc(-c2nc([C@@H]3CCCC[C@H]3C)no2)co1 ZINC000346393138 354908794 /nfs/dbraw/zinc/90/87/94/354908794.db2.gz CMYZFBMUXFUHQT-BXKDBHETSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cc(-c2nc([C@H]3CCCC[C@@H]3C)no2)co1 ZINC000346393140 354908625 /nfs/dbraw/zinc/90/86/25/354908625.db2.gz CMYZFBMUXFUHQT-CABZTGNLSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cc(-c2nc([C@@H]3CCCC[C@@H]3C)no2)co1 ZINC000346393142 354908525 /nfs/dbraw/zinc/90/85/25/354908525.db2.gz CMYZFBMUXFUHQT-JOYOIKCWSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cc(-c2nc([C@H]3CCCC[C@H]3C)no2)co1 ZINC000346393144 354908710 /nfs/dbraw/zinc/90/87/10/354908710.db2.gz CMYZFBMUXFUHQT-SKDRFNHKSA-N 0 0 246.310 3.932 20 0 BHADRN CCC(CC)c1noc(C2(SC)CCC2)n1 ZINC000346393251 354908775 /nfs/dbraw/zinc/90/87/75/354908775.db2.gz DMCVPIOXAWQCOZ-UHFFFAOYSA-N 0 0 240.372 3.715 20 0 BHADRN CCC(CC)c1noc(/C=C\c2cncs2)n1 ZINC000346393715 354908563 /nfs/dbraw/zinc/90/85/63/354908563.db2.gz BIPBVBQPHIIRIJ-WAYWQWQTSA-N 0 0 249.339 3.600 20 0 BHADRN CCC(CC)c1noc([C@@H]2CCC(F)(F)C2)n1 ZINC000346396074 354909471 /nfs/dbraw/zinc/90/94/71/354909471.db2.gz CPJSPGAQZCWDEM-SECBINFHSA-N 0 0 244.285 3.876 20 0 BHADRN CCC(CC)c1noc([C@H]2CCC(F)(F)C2)n1 ZINC000346396082 354909742 /nfs/dbraw/zinc/90/97/42/354909742.db2.gz CPJSPGAQZCWDEM-VIFPVBQESA-N 0 0 244.285 3.876 20 0 BHADRN CCC(CC)c1noc(C2CC(C)(C)C2)n1 ZINC000346402834 354911497 /nfs/dbraw/zinc/91/14/97/354911497.db2.gz NYRGEFPQMORNLE-UHFFFAOYSA-N 0 0 222.332 3.877 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(CC2(C)CC2)n1 ZINC000346402847 135923241 /nfs/dbraw/zinc/92/32/41/135923241.db2.gz NZNVGOQMLNHAPV-GHMZBOCLSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(CC2(C)CC2)n1 ZINC000346402849 354911087 /nfs/dbraw/zinc/91/10/87/354911087.db2.gz NZNVGOQMLNHAPV-MNOVXSKESA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(CC2(C)CC2)n1 ZINC000346402851 354911310 /nfs/dbraw/zinc/91/13/10/354911310.db2.gz NZNVGOQMLNHAPV-QWRGUYRKSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(CC2(C)CC2)n1 ZINC000346402852 135923293 /nfs/dbraw/zinc/92/32/93/135923293.db2.gz NZNVGOQMLNHAPV-WDEREUQCSA-N 0 0 234.343 3.706 20 0 BHADRN CC(C)(CNC(=O)CC1(C)CC1)C1CCCC1 ZINC000346405251 354912166 /nfs/dbraw/zinc/91/21/66/354912166.db2.gz IRAVGHJRFZLCLX-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1ccc(C)c([C@@H](C)N(C)C(=O)C2CCC2)c1 ZINC000346406045 354911931 /nfs/dbraw/zinc/91/19/31/354911931.db2.gz YVLXTZAQCGGISP-CYBMUJFWSA-N 0 0 245.366 3.623 20 0 BHADRN Cc1ccc(C)c([C@H](C)N(C)C(=O)C2CCC2)c1 ZINC000346406046 354911947 /nfs/dbraw/zinc/91/19/47/354911947.db2.gz YVLXTZAQCGGISP-ZDUSSCGKSA-N 0 0 245.366 3.623 20 0 BHADRN CC(C)[C@@H](C)[S@](=O)CCCC(C)(C)C ZINC000346406708 354913232 /nfs/dbraw/zinc/91/32/32/354913232.db2.gz LFYQTTHKBXRWGA-BXUZGUMPSA-N 0 0 218.406 3.606 20 0 BHADRN CC(C)[C@H](C)[S@@](=O)CCCC(C)(C)C ZINC000346406710 354913115 /nfs/dbraw/zinc/91/31/15/354913115.db2.gz LFYQTTHKBXRWGA-FZMZJTMJSA-N 0 0 218.406 3.606 20 0 BHADRN CC(C)[C@@H](C)[S@@](=O)CCCC(C)(C)C ZINC000346406712 135923657 /nfs/dbraw/zinc/92/36/57/135923657.db2.gz LFYQTTHKBXRWGA-RISCZKNCSA-N 0 0 218.406 3.606 20 0 BHADRN CC(C)[C@H](C)[S@](=O)CCCC(C)(C)C ZINC000346406714 354913020 /nfs/dbraw/zinc/91/30/20/354913020.db2.gz LFYQTTHKBXRWGA-SMDDNHRTSA-N 0 0 218.406 3.606 20 0 BHADRN CCC(CC)c1noc(-c2occ3c2CCC3)n1 ZINC000346407326 354912790 /nfs/dbraw/zinc/91/27/90/354912790.db2.gz UOBXTOMHKPYAEK-UHFFFAOYSA-N 0 0 246.310 3.722 20 0 BHADRN CCC(CC)c1noc(C(C)(C)CSC)n1 ZINC000346407431 354912851 /nfs/dbraw/zinc/91/28/51/354912851.db2.gz VGGDCWFIBXHDTN-UHFFFAOYSA-N 0 0 242.388 3.614 20 0 BHADRN CCc1occc1-c1nc(C(CC)CC)no1 ZINC000346409747 354913937 /nfs/dbraw/zinc/91/39/37/354913937.db2.gz ZVCOGOVLUFEKRL-UHFFFAOYSA-N 0 0 234.299 3.796 20 0 BHADRN CCC(CC)c1noc(-c2coc(C)c2)n1 ZINC000346411079 354914399 /nfs/dbraw/zinc/91/43/99/354914399.db2.gz MJDMOQVAALMYML-UHFFFAOYSA-N 0 0 220.272 3.542 20 0 BHADRN CCCN(CC(C)C)C(=O)c1ccccc1C ZINC000346411345 354914431 /nfs/dbraw/zinc/91/44/31/354914431.db2.gz IOZYCFAYSCBNFT-UHFFFAOYSA-N 0 0 233.355 3.503 20 0 BHADRN CCC(CC)c1noc([C@H](OC)[C@@H](C)CC)n1 ZINC000346414003 354915474 /nfs/dbraw/zinc/91/54/74/354915474.db2.gz PKBYUCZGSIPRTB-GXSJLCMTSA-N 0 0 240.347 3.707 20 0 BHADRN CCC(CC)c1noc([C@@H](OC)[C@H](C)CC)n1 ZINC000346414005 354915493 /nfs/dbraw/zinc/91/54/93/354915493.db2.gz PKBYUCZGSIPRTB-KOLCDFICSA-N 0 0 240.347 3.707 20 0 BHADRN CCC(CC)c1noc([C@H](OC)[C@H](C)CC)n1 ZINC000346414006 135924760 /nfs/dbraw/zinc/92/47/60/135924760.db2.gz PKBYUCZGSIPRTB-MWLCHTKSSA-N 0 0 240.347 3.707 20 0 BHADRN CCC(CC)c1noc([C@@H](OC)[C@@H](C)CC)n1 ZINC000346414007 135924420 /nfs/dbraw/zinc/92/44/20/135924420.db2.gz PKBYUCZGSIPRTB-ONGXEEELSA-N 0 0 240.347 3.707 20 0 BHADRN CCC(CC)c1noc([C@@H]2C[C@@H]2C(C)C)n1 ZINC000346415964 354951245 /nfs/dbraw/zinc/95/12/45/354951245.db2.gz QNDOYWJSGWQTOX-GHMZBOCLSA-N 0 0 222.332 3.733 20 0 BHADRN CCC(CC)c1noc([C@H]2C[C@@H]2C(C)C)n1 ZINC000346415965 354951060 /nfs/dbraw/zinc/95/10/60/354951060.db2.gz QNDOYWJSGWQTOX-MNOVXSKESA-N 0 0 222.332 3.733 20 0 BHADRN CCC(CC)c1noc([C@H]2C[C@H]2C(C)C)n1 ZINC000346415966 354950840 /nfs/dbraw/zinc/95/08/40/354950840.db2.gz QNDOYWJSGWQTOX-QWRGUYRKSA-N 0 0 222.332 3.733 20 0 BHADRN CCC(CC)c1noc([C@@H]2C[C@H]2C(C)C)n1 ZINC000346415967 354950804 /nfs/dbraw/zinc/95/08/04/354950804.db2.gz QNDOYWJSGWQTOX-WDEREUQCSA-N 0 0 222.332 3.733 20 0 BHADRN CCC(CC)c1noc([C@@H]2CCC(C)(C)O2)n1 ZINC000346418408 135926150 /nfs/dbraw/zinc/92/61/50/135926150.db2.gz RVLVSBSWPHVMJY-JTQLQIEISA-N 0 0 238.331 3.603 20 0 BHADRN CCC(CC)c1noc([C@H]2CCC(C)(C)O2)n1 ZINC000346418410 354920699 /nfs/dbraw/zinc/92/06/99/354920699.db2.gz RVLVSBSWPHVMJY-SNVBAGLBSA-N 0 0 238.331 3.603 20 0 BHADRN CCCN(CC(C)C)C(=O)c1ccc(C)cc1 ZINC000346418786 135925851 /nfs/dbraw/zinc/92/58/51/135925851.db2.gz PZVJWLLRZLJPER-UHFFFAOYSA-N 0 0 233.355 3.503 20 0 BHADRN C[C@@H](CCC(C)(C)C)Nc1ncnc2[nH]ccc21 ZINC000346422605 354924718 /nfs/dbraw/zinc/92/47/18/354924718.db2.gz PIJIKCRRYLPMJU-JTQLQIEISA-N 0 0 246.358 3.585 20 0 BHADRN Cc1ccccc1N(CC[C@@H]1CCCO1)C(C)C ZINC000346423319 354925249 /nfs/dbraw/zinc/92/52/49/354925249.db2.gz BOPNDRDMLHTNGB-HNNXBMFYSA-N 0 0 247.382 3.779 20 0 BHADRN Cc1ccccc1N(CC[C@H]1CCCO1)C(C)C ZINC000346423320 354925012 /nfs/dbraw/zinc/92/50/12/354925012.db2.gz BOPNDRDMLHTNGB-OAHLLOKOSA-N 0 0 247.382 3.779 20 0 BHADRN CCCN(CC(C)C)C(=O)c1cccc(C)c1 ZINC000346424203 354925813 /nfs/dbraw/zinc/92/58/13/354925813.db2.gz WLADPJCTJYTEDN-UHFFFAOYSA-N 0 0 233.355 3.503 20 0 BHADRN C[C@H](CCC(C)(C)C)Nc1ncnc2[nH]ccc21 ZINC000346424233 354924911 /nfs/dbraw/zinc/92/49/11/354924911.db2.gz PIJIKCRRYLPMJU-SNVBAGLBSA-N 0 0 246.358 3.585 20 0 BHADRN CCC(CC)c1noc(C(C)(C)C(F)F)n1 ZINC000346424339 354925775 /nfs/dbraw/zinc/92/57/75/354925775.db2.gz QTXUJPDJROYKPQ-UHFFFAOYSA-N 0 0 232.274 3.516 20 0 BHADRN CCC(CC)c1noc(C[C@@H]2C=CCCC2)n1 ZINC000346427221 354927645 /nfs/dbraw/zinc/92/76/45/354927645.db2.gz TYTKDHRZEPQSSE-LLVKDONJSA-N 0 0 234.343 3.872 20 0 BHADRN CCC(CC)c1noc(C[C@H]2C=CCCC2)n1 ZINC000346427222 354927375 /nfs/dbraw/zinc/92/73/75/354927375.db2.gz TYTKDHRZEPQSSE-NSHDSACASA-N 0 0 234.343 3.872 20 0 BHADRN CC(C)N(Cc1ccc(F)cn1)c1ccccc1 ZINC000346431244 354930972 /nfs/dbraw/zinc/93/09/72/354930972.db2.gz JPBFZDWGNBGPIM-UHFFFAOYSA-N 0 0 244.313 3.636 20 0 BHADRN Cc1cccc(N(CC[C@@H]2CCCO2)C(C)C)c1 ZINC000346431246 135928609 /nfs/dbraw/zinc/92/86/09/135928609.db2.gz JPMGZEKBZCHEBJ-INIZCTEOSA-N 0 0 247.382 3.779 20 0 BHADRN Cc1cccc(N(CC[C@H]2CCCO2)C(C)C)c1 ZINC000346431249 354931348 /nfs/dbraw/zinc/93/13/48/354931348.db2.gz JPMGZEKBZCHEBJ-MRXNPFEDSA-N 0 0 247.382 3.779 20 0 BHADRN CC(C)CCC[S@](=O)CCCC(C)(C)C ZINC000346433627 135928958 /nfs/dbraw/zinc/92/89/58/135928958.db2.gz UTLMTENLPFGSCJ-HNNXBMFYSA-N 0 0 232.433 3.998 20 0 BHADRN CC(C)CCC[S@@](=O)CCCC(C)(C)C ZINC000346433628 135929032 /nfs/dbraw/zinc/92/90/32/135929032.db2.gz UTLMTENLPFGSCJ-OAHLLOKOSA-N 0 0 232.433 3.998 20 0 BHADRN C[C@H]1CCN(CC[C@@H]2CCCO2)c2ccccc21 ZINC000346436272 354935277 /nfs/dbraw/zinc/93/52/77/354935277.db2.gz NPICAWSGUNMSKA-KBPBESRZSA-N 0 0 245.366 3.569 20 0 BHADRN C[C@@H]1CCN(CC[C@@H]2CCCO2)c2ccccc21 ZINC000346436273 354935566 /nfs/dbraw/zinc/93/55/66/354935566.db2.gz NPICAWSGUNMSKA-KGLIPLIRSA-N 0 0 245.366 3.569 20 0 BHADRN C[C@H]1CCN(CC[C@H]2CCCO2)c2ccccc21 ZINC000346436274 354935211 /nfs/dbraw/zinc/93/52/11/354935211.db2.gz NPICAWSGUNMSKA-UONOGXRCSA-N 0 0 245.366 3.569 20 0 BHADRN C[C@@H]1CCN(CC[C@H]2CCCO2)c2ccccc21 ZINC000346436275 354935317 /nfs/dbraw/zinc/93/53/17/354935317.db2.gz NPICAWSGUNMSKA-ZIAGYGMSSA-N 0 0 245.366 3.569 20 0 BHADRN CCCCCC(=O)N[C@H](C)c1cc(C)oc1C ZINC000346453353 354946370 /nfs/dbraw/zinc/94/63/70/354946370.db2.gz CEXYZMXEJJIRAD-LLVKDONJSA-N 0 0 237.343 3.654 20 0 BHADRN CCCCCC(=O)N[C@@H](C)c1cc(C)oc1C ZINC000346453356 534973203 /nfs/dbraw/zinc/97/32/03/534973203.db2.gz CEXYZMXEJJIRAD-NSHDSACASA-N 0 0 237.343 3.654 20 0 BHADRN CC(C)C(C)(C)[S@@](=O)CCCC(C)(C)C ZINC000346469206 354955476 /nfs/dbraw/zinc/95/54/76/354955476.db2.gz JXVVHEWHZJZAEU-HNNXBMFYSA-N 0 0 232.433 3.996 20 0 BHADRN CC(C)C(C)(C)[S@](=O)CCCC(C)(C)C ZINC000346469207 354955064 /nfs/dbraw/zinc/95/50/64/354955064.db2.gz JXVVHEWHZJZAEU-OAHLLOKOSA-N 0 0 232.433 3.996 20 0 BHADRN CCN(C(=O)C[C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000346488051 354958782 /nfs/dbraw/zinc/95/87/82/354958782.db2.gz MBKHAOTWZSRXID-KBPBESRZSA-N 0 0 245.366 3.866 20 0 BHADRN CCN(C(=O)C[C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000346488058 135935491 /nfs/dbraw/zinc/93/54/91/135935491.db2.gz MBKHAOTWZSRXID-KGLIPLIRSA-N 0 0 245.366 3.866 20 0 BHADRN CCN(C(=O)C[C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000346488063 354958755 /nfs/dbraw/zinc/95/87/55/354958755.db2.gz MBKHAOTWZSRXID-UONOGXRCSA-N 0 0 245.366 3.866 20 0 BHADRN CCN(C(=O)C[C@H]1CCC[C@H]1C)c1ccccc1 ZINC000346488067 135935254 /nfs/dbraw/zinc/93/52/54/135935254.db2.gz MBKHAOTWZSRXID-ZIAGYGMSSA-N 0 0 245.366 3.866 20 0 BHADRN CCCOc1ccc(NC(=O)CC2(C)CC2)cc1 ZINC000346488107 354958605 /nfs/dbraw/zinc/95/86/05/354958605.db2.gz MFCGSIVOSFPCQK-UHFFFAOYSA-N 0 0 247.338 3.604 20 0 BHADRN CSc1ccc(C)c(NC(=O)CC2(C)CC2)c1 ZINC000346495384 354960531 /nfs/dbraw/zinc/96/05/31/354960531.db2.gz LZJOIOFMXNVNTE-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN CCCCC[S@](=O)CCCC(C)(C)C ZINC000346503493 354962102 /nfs/dbraw/zinc/96/21/02/354962102.db2.gz MKMCDDQGNQHJLI-AWEZNQCLSA-N 0 0 218.406 3.752 20 0 BHADRN CCCCC[S@@](=O)CCCC(C)(C)C ZINC000346503494 354962294 /nfs/dbraw/zinc/96/22/94/354962294.db2.gz MKMCDDQGNQHJLI-CQSZACIVSA-N 0 0 218.406 3.752 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)CC1CC1 ZINC000346503750 354962056 /nfs/dbraw/zinc/96/20/56/354962056.db2.gz GPPKZCRWOQWHNR-UHFFFAOYSA-N 0 0 231.339 3.573 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)C1(C)CC1 ZINC000346504891 354962175 /nfs/dbraw/zinc/96/21/75/354962175.db2.gz ITXCDADJMKBUKR-UHFFFAOYSA-N 0 0 231.339 3.573 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)C1CCC1 ZINC000346510008 354962809 /nfs/dbraw/zinc/96/28/09/354962809.db2.gz SMMWZMFAYDIDFG-UHFFFAOYSA-N 0 0 231.339 3.573 20 0 BHADRN Cc1cccc(N(C)C(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000346511275 354962995 /nfs/dbraw/zinc/96/29/95/354962995.db2.gz VXLMHRQLOCUVKU-KBPBESRZSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1cccc(N(C)C(=O)C[C@@H]2CCC[C@H]2C)c1 ZINC000346511276 354963199 /nfs/dbraw/zinc/96/31/99/354963199.db2.gz VXLMHRQLOCUVKU-KGLIPLIRSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1cccc(N(C)C(=O)C[C@H]2CCC[C@@H]2C)c1 ZINC000346511277 354962885 /nfs/dbraw/zinc/96/28/85/354962885.db2.gz VXLMHRQLOCUVKU-UONOGXRCSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1cccc(N(C)C(=O)C[C@H]2CCC[C@H]2C)c1 ZINC000346511279 135936615 /nfs/dbraw/zinc/93/66/15/135936615.db2.gz VXLMHRQLOCUVKU-ZIAGYGMSSA-N 0 0 245.366 3.784 20 0 BHADRN CSc1cccc(NC(=O)CC2(C)CC2)c1C ZINC000346512896 135937043 /nfs/dbraw/zinc/93/70/43/135937043.db2.gz ZYQBFCWAIFTMMN-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN CC(C)(C)CCC[S@](=O)CCC(F)(F)F ZINC000346516090 135938903 /nfs/dbraw/zinc/93/89/03/135938903.db2.gz QJMFLFCNJVHAHQ-HNNXBMFYSA-N 0 0 244.322 3.514 20 0 BHADRN CC(C)(C)CCC[S@@](=O)CCC(F)(F)F ZINC000346516099 354972918 /nfs/dbraw/zinc/97/29/18/354972918.db2.gz QJMFLFCNJVHAHQ-OAHLLOKOSA-N 0 0 244.322 3.514 20 0 BHADRN CCCC(=O)N(C)c1ccccc1C(C)C ZINC000346518783 354974119 /nfs/dbraw/zinc/97/41/19/354974119.db2.gz JDIJXFLVPGLXAG-UHFFFAOYSA-N 0 0 219.328 3.573 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)CC1(C)CC1 ZINC000346520618 535376264 /nfs/dbraw/zinc/37/62/64/535376264.db2.gz MYEGASDNKHGVBR-UHFFFAOYSA-N 0 0 245.366 3.963 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)CC1CCC1 ZINC000346520664 354974871 /nfs/dbraw/zinc/97/48/71/354974871.db2.gz NQRLQEWJLGBPIW-UHFFFAOYSA-N 0 0 245.366 3.963 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)C1=CCCC1 ZINC000346523506 535376142 /nfs/dbraw/zinc/37/61/42/535376142.db2.gz RIDSOVJFLSRVJY-UHFFFAOYSA-N 0 0 243.350 3.883 20 0 BHADRN CC(C)CC(=O)N(C)c1ccccc1C(C)C ZINC000346526206 135939508 /nfs/dbraw/zinc/93/95/08/135939508.db2.gz XSOMVQIZDWTRIW-UHFFFAOYSA-N 0 0 233.355 3.819 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000346527748 354977250 /nfs/dbraw/zinc/97/72/50/354977250.db2.gz OKKJAJXQWDUBAC-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CCC1CC1)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000346527750 135939618 /nfs/dbraw/zinc/93/96/18/135939618.db2.gz OKKJAJXQWDUBAC-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CCC1CC1)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000346527751 354977277 /nfs/dbraw/zinc/97/72/77/354977277.db2.gz OKKJAJXQWDUBAC-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000346527752 354977341 /nfs/dbraw/zinc/97/73/41/354977341.db2.gz OKKJAJXQWDUBAC-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)CCC1CC1 ZINC000346532370 535376186 /nfs/dbraw/zinc/37/61/86/535376186.db2.gz MHNGUVDNHNBVFW-UHFFFAOYSA-N 0 0 245.366 3.963 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)C[C@@H]1CCC[C@H]1C ZINC000346533915 354979168 /nfs/dbraw/zinc/97/91/68/354979168.db2.gz HMTFRLKUWYYWOH-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)C[C@H]1CCC[C@@H]1C ZINC000346533924 354979588 /nfs/dbraw/zinc/97/95/88/354979588.db2.gz HMTFRLKUWYYWOH-OUCADQQQSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000346533932 354979446 /nfs/dbraw/zinc/97/94/46/354979446.db2.gz HMTFRLKUWYYWOH-SCRDCRAPSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)C[C@H]1CCC[C@H]1C ZINC000346533938 354979442 /nfs/dbraw/zinc/97/94/42/354979442.db2.gz HMTFRLKUWYYWOH-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ncsc1C(C)C ZINC000346545976 354982715 /nfs/dbraw/zinc/98/27/15/354982715.db2.gz RTKYFXSMINIOMT-SECBINFHSA-N 0 0 240.372 3.641 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ncsc1C(C)C ZINC000346545989 354983116 /nfs/dbraw/zinc/98/31/16/354983116.db2.gz RTKYFXSMINIOMT-VIFPVBQESA-N 0 0 240.372 3.641 20 0 BHADRN Cc1cccc(CSCc2cccc(F)c2)n1 ZINC000346556813 135937488 /nfs/dbraw/zinc/93/74/88/135937488.db2.gz DBEHHVAGZPSPQR-UHFFFAOYSA-N 0 0 247.338 3.963 20 0 BHADRN Cc1cccc(CSCc2ccccc2F)n1 ZINC000346557055 354967690 /nfs/dbraw/zinc/96/76/90/354967690.db2.gz FBZDFAUEJXUMGK-UHFFFAOYSA-N 0 0 247.338 3.963 20 0 BHADRN C[C@H](c1noc(CC2(C)CC2)n1)C(C)(C)C ZINC000346559638 354968618 /nfs/dbraw/zinc/96/86/18/354968618.db2.gz MHNXHGZCJPBLMA-SECBINFHSA-N 0 0 222.332 3.562 20 0 BHADRN C[C@@H](c1noc(CC2(C)CC2)n1)C(C)(C)C ZINC000346559641 135938019 /nfs/dbraw/zinc/93/80/19/135938019.db2.gz MHNXHGZCJPBLMA-VIFPVBQESA-N 0 0 222.332 3.562 20 0 BHADRN Cc1cccc(CSCCc2ccccc2)n1 ZINC000346559849 354968385 /nfs/dbraw/zinc/96/83/85/354968385.db2.gz CEERZXMNVKJREI-UHFFFAOYSA-N 0 0 243.375 3.866 20 0 BHADRN COc1cccc(CSCc2ccccn2)c1 ZINC000346562031 354968532 /nfs/dbraw/zinc/96/85/32/354968532.db2.gz DETKIDLSDGZISW-UHFFFAOYSA-N 0 0 245.347 3.524 20 0 BHADRN Cc1cccc(CSCc2ccccc2)n1 ZINC000346562237 135938121 /nfs/dbraw/zinc/93/81/21/135938121.db2.gz GAUQJRKFRQVZPN-UHFFFAOYSA-N 0 0 229.348 3.823 20 0 BHADRN C[C@H](CSCc1ccccn1)C(F)(F)F ZINC000346564521 135937909 /nfs/dbraw/zinc/93/79/09/135937909.db2.gz IVKNXQXHEYPBNI-MRVPVSSYSA-N 0 0 235.274 3.513 20 0 BHADRN C[C@@H](CSCc1ccccn1)C(F)(F)F ZINC000346564523 354970161 /nfs/dbraw/zinc/97/01/61/354970161.db2.gz IVKNXQXHEYPBNI-QMMMGPOBSA-N 0 0 235.274 3.513 20 0 BHADRN CSC1(c2nc([C@@H](C)C(C)(C)C)no2)CC1 ZINC000346565215 354970514 /nfs/dbraw/zinc/97/05/14/354970514.db2.gz BJXFPOCIPKOLTN-MRVPVSSYSA-N 0 0 240.372 3.571 20 0 BHADRN CSC1(c2nc([C@H](C)C(C)(C)C)no2)CC1 ZINC000346565217 354970625 /nfs/dbraw/zinc/97/06/25/354970625.db2.gz BJXFPOCIPKOLTN-QMMMGPOBSA-N 0 0 240.372 3.571 20 0 BHADRN Cc1cccc(CSC[C@@H](C)C(F)(F)F)n1 ZINC000346565710 354970427 /nfs/dbraw/zinc/97/04/27/354970427.db2.gz JRFSQDLJAKNEQR-MRVPVSSYSA-N 0 0 249.301 3.822 20 0 BHADRN Cc1cccc(CSC[C@H](C)C(F)(F)F)n1 ZINC000346565712 354970444 /nfs/dbraw/zinc/97/04/44/354970444.db2.gz JRFSQDLJAKNEQR-QMMMGPOBSA-N 0 0 249.301 3.822 20 0 BHADRN CCN(C(=O)c1cc2cccc(C)c2o1)C(C)C ZINC000346566802 354971035 /nfs/dbraw/zinc/97/10/35/354971035.db2.gz NSRUXKAYBDDLIT-UHFFFAOYSA-N 0 0 245.322 3.612 20 0 BHADRN Cc1cccc(CSCc2ccc(F)cc2)n1 ZINC000346567451 354971193 /nfs/dbraw/zinc/97/11/93/354971193.db2.gz PMCNIEPOTLBTMV-UHFFFAOYSA-N 0 0 247.338 3.963 20 0 BHADRN CO[C@@H](c1nc([C@@H](C)C(C)(C)C)no1)C(C)C ZINC000346567710 536569752 /nfs/dbraw/zinc/56/97/52/536569752.db2.gz JSBHFDVQPCABKT-NXEZZACHSA-N 0 0 240.347 3.563 20 0 BHADRN CO[C@H](c1nc([C@H](C)C(C)(C)C)no1)C(C)C ZINC000346567714 354971250 /nfs/dbraw/zinc/97/12/50/354971250.db2.gz JSBHFDVQPCABKT-UWVGGRQHSA-N 0 0 240.347 3.563 20 0 BHADRN CO[C@@H](c1nc([C@H](C)C(C)(C)C)no1)C(C)C ZINC000346567716 354971354 /nfs/dbraw/zinc/97/13/54/354971354.db2.gz JSBHFDVQPCABKT-VHSXEESVSA-N 0 0 240.347 3.563 20 0 BHADRN CO[C@H](c1nc([C@@H](C)C(C)(C)C)no1)C(C)C ZINC000346567719 354970993 /nfs/dbraw/zinc/97/09/93/354970993.db2.gz JSBHFDVQPCABKT-ZJUUUORDSA-N 0 0 240.347 3.563 20 0 BHADRN COc1cccc(CSCC2CCCC2)n1 ZINC000346568923 354971361 /nfs/dbraw/zinc/97/13/61/354971361.db2.gz SYFKRIWJJICJPL-UHFFFAOYSA-N 0 0 237.368 3.514 20 0 BHADRN Cc1cccc(CSCCC(C)C)n1 ZINC000346569243 354971260 /nfs/dbraw/zinc/97/12/60/354971260.db2.gz QNMYBTUKJYEKRH-UHFFFAOYSA-N 0 0 209.358 3.669 20 0 BHADRN C/C=C/CSCc1ncc(C)c(OC)c1C ZINC000346569287 354971270 /nfs/dbraw/zinc/97/12/70/354971270.db2.gz RGMSGRCQPDWOBT-AATRIKPKSA-N 0 0 237.368 3.516 20 0 BHADRN C/C=C\CSCc1ncc(C)c(OC)c1C ZINC000346569288 354971091 /nfs/dbraw/zinc/97/10/91/354971091.db2.gz RGMSGRCQPDWOBT-WAYWQWQTSA-N 0 0 237.368 3.516 20 0 BHADRN Cc1cccc(CSCC2CCCC2)n1 ZINC000346569457 354972148 /nfs/dbraw/zinc/97/21/48/354972148.db2.gz ACQUIMJKAYOBNC-UHFFFAOYSA-N 0 0 221.369 3.813 20 0 BHADRN C[C@H](c1noc([C@@H]2C[C@H]2C(F)F)n1)C(C)(C)C ZINC000346570877 354972038 /nfs/dbraw/zinc/97/20/38/354972038.db2.gz QCMDZHQZENKFNX-BWZBUEFSSA-N 0 0 244.285 3.588 20 0 BHADRN C[C@H](c1noc([C@H]2C[C@@H]2C(F)F)n1)C(C)(C)C ZINC000346570879 354972007 /nfs/dbraw/zinc/97/20/07/354972007.db2.gz QCMDZHQZENKFNX-CSMHCCOUSA-N 0 0 244.285 3.588 20 0 BHADRN C[C@H](c1noc([C@@H]2C[C@@H]2C(F)F)n1)C(C)(C)C ZINC000346570881 135938712 /nfs/dbraw/zinc/93/87/12/135938712.db2.gz QCMDZHQZENKFNX-GJMOJQLCSA-N 0 0 244.285 3.588 20 0 BHADRN C[C@H](c1noc([C@H]2C[C@H]2C(F)F)n1)C(C)(C)C ZINC000346570883 135938636 /nfs/dbraw/zinc/93/86/36/135938636.db2.gz QCMDZHQZENKFNX-PRJMDXOYSA-N 0 0 244.285 3.588 20 0 BHADRN CC[C@H](C)CSCc1cccc(C)n1 ZINC000346571306 354971944 /nfs/dbraw/zinc/97/19/44/354971944.db2.gz XSMSSGUELOPPRN-JTQLQIEISA-N 0 0 209.358 3.669 20 0 BHADRN CC[C@@H](C)CSCc1cccc(C)n1 ZINC000346571307 135938635 /nfs/dbraw/zinc/93/86/35/135938635.db2.gz XSMSSGUELOPPRN-SNVBAGLBSA-N 0 0 209.358 3.669 20 0 BHADRN Cc1cccc(CSCCC(F)(F)F)n1 ZINC000346571924 354973014 /nfs/dbraw/zinc/97/30/14/354973014.db2.gz URVWUUMMDZEXAF-UHFFFAOYSA-N 0 0 235.274 3.576 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H](C)CCC1CC1 ZINC000346571998 135938716 /nfs/dbraw/zinc/93/87/16/135938716.db2.gz QTVKOLMMGKWREU-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H](C)CCC1CC1 ZINC000346571999 354973145 /nfs/dbraw/zinc/97/31/45/354973145.db2.gz QTVKOLMMGKWREU-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN Cc1cc(-c2nc([C@@H](C)C(C)(C)C)no2)co1 ZINC000346578317 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355002234 /nfs/dbraw/zinc/00/22/34/355002234.db2.gz VHYCGMBMIQWAQN-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1cc(-c2nc([C@@H](C)C(C)(C)C)no2)ccn1 ZINC000346587166 355002064 /nfs/dbraw/zinc/00/20/64/355002064.db2.gz VHYCGMBMIQWAQN-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN CC(C)c1cccc(CNC(=O)CC2(C)CC2)c1 ZINC000346589075 355002436 /nfs/dbraw/zinc/00/24/36/355002436.db2.gz JUJCPSWCFMAOTR-UHFFFAOYSA-N 0 0 245.366 3.616 20 0 BHADRN CC(C)c1nccc(N(C)C2CCC(C)CC2)n1 ZINC000346589781 354985981 /nfs/dbraw/zinc/98/59/81/354985981.db2.gz DTRBTNSQKCKSQY-UHFFFAOYSA-N 0 0 247.386 3.615 20 0 BHADRN CC(C)c1cc(N(C)C2CCC(C)CC2)ncn1 ZINC000346591559 354986824 /nfs/dbraw/zinc/98/68/24/354986824.db2.gz JJKCWLNYIQTPEI-UHFFFAOYSA-N 0 0 247.386 3.615 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000346593455 354987029 /nfs/dbraw/zinc/98/70/29/354987029.db2.gz BNYPDLSXJPDVSZ-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CCC1CC1)NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000346593457 135942165 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C[C@@H]1c2ccccc2C[N@H+]1C[C@H]1Cc2ccccc21 ZINC000346949911 355163242 /nfs/dbraw/zinc/16/32/42/355163242.db2.gz AZHINYZCCHSRLZ-CZUORRHYSA-N 0 0 249.357 3.903 20 0 BHADRN C[C@H]1c2ccccc2C[N@H+]1C[C@H]1Cc2ccccc21 ZINC000346949913 355163386 /nfs/dbraw/zinc/16/33/86/355163386.db2.gz AZHINYZCCHSRLZ-XJKSGUPXSA-N 0 0 249.357 3.903 20 0 BHADRN O=C(CC1CC1)NC1CCC2(CCCCC2)CC1 ZINC000346961886 135983560 /nfs/dbraw/zinc/98/35/60/135983560.db2.gz RFLBUROOKJEWDZ-UHFFFAOYSA-N 0 0 249.398 3.796 20 0 BHADRN CC[C@@H](C)CCc1nc([C@H]2CCCS2)no1 ZINC000346967944 538559468 /nfs/dbraw/zinc/55/94/68/538559468.db2.gz PUMDUAXKYZIKSH-NXEZZACHSA-N 0 0 240.372 3.616 20 0 BHADRN CC[C@H](C)CCc1nc([C@@H]2CCCS2)no1 ZINC000346967948 538558673 /nfs/dbraw/zinc/55/86/73/538558673.db2.gz PUMDUAXKYZIKSH-UWVGGRQHSA-N 0 0 240.372 3.616 20 0 BHADRN CC[C@H](C)CCc1nc([C@H]2CCCS2)no1 ZINC000346967952 538559419 /nfs/dbraw/zinc/55/94/19/538559419.db2.gz PUMDUAXKYZIKSH-VHSXEESVSA-N 0 0 240.372 3.616 20 0 BHADRN CC[C@@H](C)CCc1nc([C@@H]2CCCS2)no1 ZINC000346967954 538558901 /nfs/dbraw/zinc/55/89/01/538558901.db2.gz PUMDUAXKYZIKSH-ZJUUUORDSA-N 0 0 240.372 3.616 20 0 BHADRN CCO[C@H](C)c1nc(CSC(C)C)cs1 ZINC000346968186 355174276 /nfs/dbraw/zinc/17/42/76/355174276.db2.gz RSKDBADIXDETBF-SECBINFHSA-N 0 0 245.413 3.882 20 0 BHADRN CCO[C@@H](C)c1nc(CSC(C)C)cs1 ZINC000346968187 135984681 /nfs/dbraw/zinc/98/46/81/135984681.db2.gz RSKDBADIXDETBF-VIFPVBQESA-N 0 0 245.413 3.882 20 0 BHADRN C[C@@H]1CCN(CCOC2CCC2)c2ccccc21 ZINC000346973985 355209287 /nfs/dbraw/zinc/20/92/87/355209287.db2.gz ISFBVCZLJKZAKE-CYBMUJFWSA-N 0 0 245.366 3.569 20 0 BHADRN C[C@H]1CCN(CCOC2CCC2)c2ccccc21 ZINC000346974009 355208984 /nfs/dbraw/zinc/20/89/84/355208984.db2.gz ISFBVCZLJKZAKE-ZDUSSCGKSA-N 0 0 245.366 3.569 20 0 BHADRN C[C@H]1CC[C@@H](N(C)C(=O)CCC2CCCC2)C1 ZINC000346974205 133798991 /nfs/dbraw/zinc/79/89/91/133798991.db2.gz IQZOOIYDOYUEFI-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CC[C@H](N(C)C(=O)CCC2CCCC2)C1 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BHADRN Cc1coc(C)c1-c1nc(CCC(C)(C)C)no1 ZINC000347266101 133817236 /nfs/dbraw/zinc/81/72/36/133817236.db2.gz PDVDYBKPQORXFB-UHFFFAOYSA-N 0 0 248.326 3.925 20 0 BHADRN CC[C@@H](C)Cc1nc([C@H]2CCC(F)(F)C2)no1 ZINC000347266107 386309703 /nfs/dbraw/zinc/30/97/03/386309703.db2.gz PFJUTRFZTQSDEL-BDAKNGLRSA-N 0 0 244.285 3.561 20 0 BHADRN CC[C@H](C)Cc1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000347266108 536138370 /nfs/dbraw/zinc/13/83/70/536138370.db2.gz PFJUTRFZTQSDEL-DTWKUNHWSA-N 0 0 244.285 3.561 20 0 BHADRN CC[C@H](C)Cc1nc([C@H]2CCC(F)(F)C2)no1 ZINC000347266109 386310202 /nfs/dbraw/zinc/31/02/02/386310202.db2.gz PFJUTRFZTQSDEL-IUCAKERBSA-N 0 0 244.285 3.561 20 0 BHADRN CC[C@@H](C)Cc1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000347266110 535537279 /nfs/dbraw/zinc/53/72/79/535537279.db2.gz PFJUTRFZTQSDEL-RKDXNWHRSA-N 0 0 244.285 3.561 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)NC1CCC2(CC2)CC1 ZINC000347274736 386313477 /nfs/dbraw/zinc/31/34/77/386313477.db2.gz IBXCEOKFCPVFLR-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)NC1CCC2(CC2)CC1 ZINC000347274737 386312785 /nfs/dbraw/zinc/31/27/85/386312785.db2.gz IBXCEOKFCPVFLR-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)NC1CCC2(CC2)CC1 ZINC000347278280 386315983 /nfs/dbraw/zinc/31/59/83/386315983.db2.gz OCLJRPNOEGBUPM-CYBMUJFWSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(C[C@H]1C=CCCC1)NC1CCC2(CC2)CC1 ZINC000347278281 386315316 /nfs/dbraw/zinc/31/53/16/386315316.db2.gz OCLJRPNOEGBUPM-ZDUSSCGKSA-N 0 0 247.382 3.572 20 0 BHADRN CC1(C)CC[C@@H](C(=O)NC2CCC3(CC3)CC2)C1 ZINC000347280469 386316558 /nfs/dbraw/zinc/31/65/58/386316558.db2.gz SAVNNPSJNBLTDP-GFCCVEGCSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CC[C@H](C(=O)NC2CCC3(CC3)CC2)C1 ZINC000347280471 386315531 /nfs/dbraw/zinc/31/55/31/386315531.db2.gz SAVNNPSJNBLTDP-LBPRGKRZSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)C(C)(C)C(=O)NC1CCC2(CC2)CC1 ZINC000347285436 133818825 /nfs/dbraw/zinc/81/88/25/133818825.db2.gz DKJAGXHGYZEIBR-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1ccc(C(=O)NC2CCC3(CC3)CC2)s1 ZINC000347286026 133819017 /nfs/dbraw/zinc/81/90/17/133819017.db2.gz HUNMEHHBTPPMAM-UHFFFAOYSA-N 0 0 249.379 3.509 20 0 BHADRN CCN(CCCc1ccncc1)c1ccccc1 ZINC000347290047 386292713 /nfs/dbraw/zinc/29/27/13/386292713.db2.gz VBGWDXIWKMGQJO-UHFFFAOYSA-N 0 0 240.350 3.541 20 0 BHADRN CC1(C(=O)NC2CC(C)(C)CC(C)(C)C2)CC1 ZINC000347304032 386306016 /nfs/dbraw/zinc/30/60/16/386306016.db2.gz HRARSXQUOIGKFX-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1nc(-c2noc([C@H](C)CC(C)(C)C)n2)co1 ZINC000347308699 386350804 /nfs/dbraw/zinc/35/08/04/386350804.db2.gz ZYUYJMNUOVXPDZ-MRVPVSSYSA-N 0 0 249.314 3.573 20 0 BHADRN Cc1nc(-c2noc([C@@H](C)CC(C)(C)C)n2)co1 ZINC000347308701 133824535 /nfs/dbraw/zinc/82/45/35/133824535.db2.gz ZYUYJMNUOVXPDZ-QMMMGPOBSA-N 0 0 249.314 3.573 20 0 BHADRN Cc1ncc(CN2C[C@H](C)c3ccccc32)s1 ZINC000347316073 386356849 /nfs/dbraw/zinc/35/68/49/386356849.db2.gz TUDMLLFJTPPKSJ-JTQLQIEISA-N 0 0 244.363 3.575 20 0 BHADRN Cc1ncc(CN2C[C@@H](C)c3ccccc32)s1 ZINC000347316078 386356879 /nfs/dbraw/zinc/35/68/79/386356879.db2.gz TUDMLLFJTPPKSJ-SNVBAGLBSA-N 0 0 244.363 3.575 20 0 BHADRN Cc1c(N[C@H](C)c2ccco2)cnn1CC(C)C ZINC000347326585 386325667 /nfs/dbraw/zinc/32/56/67/386325667.db2.gz BXFHZXGKHZHQKO-LLVKDONJSA-N 0 0 247.342 3.614 20 0 BHADRN Cc1c(N[C@@H](C)c2ccco2)cnn1CC(C)C ZINC000347326586 386325816 /nfs/dbraw/zinc/32/58/16/386325816.db2.gz BXFHZXGKHZHQKO-NSHDSACASA-N 0 0 247.342 3.614 20 0 BHADRN Cc1ccc(NC[C@H](C)Cc2ccccc2)cn1 ZINC000347338945 386334662 /nfs/dbraw/zinc/33/46/62/386334662.db2.gz WYHRTDBIWKNEED-CYBMUJFWSA-N 0 0 240.350 3.681 20 0 BHADRN Cc1ccc(NC[C@@H](C)Cc2ccccc2)cn1 ZINC000347338949 386336886 /nfs/dbraw/zinc/33/68/86/386336886.db2.gz WYHRTDBIWKNEED-ZDUSSCGKSA-N 0 0 240.350 3.681 20 0 BHADRN Cc1c(N[C@H](C)c2cc(C)ccc2C)cnn1C ZINC000347345880 133822637 /nfs/dbraw/zinc/82/26/37/133822637.db2.gz QGOISXLSDUCCQU-GFCCVEGCSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1c(N[C@@H](C)c2cc(C)ccc2C)cnn1C ZINC000347345898 386341992 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0 0 218.325 3.727 20 0 BHADRN CCC(=O)CCCSCCCC(C)C ZINC000352368062 168200506 /nfs/dbraw/zinc/20/05/06/168200506.db2.gz DTLFHPSNDJTVQR-UHFFFAOYSA-N 0 0 216.390 3.915 20 0 BHADRN CC(=O)[C@@H](C)SCc1ccc(F)cc1Cl ZINC000352368457 387113355 /nfs/dbraw/zinc/11/33/55/387113355.db2.gz HZRKQGNFLVWXRT-MRVPVSSYSA-N 0 0 246.734 3.690 20 0 BHADRN CC(=O)[C@H](C)SCc1ccc(F)cc1Cl ZINC000352368458 387113709 /nfs/dbraw/zinc/11/37/09/387113709.db2.gz HZRKQGNFLVWXRT-QMMMGPOBSA-N 0 0 246.734 3.690 20 0 BHADRN COCCCCN1C[C@@H](C(C)C)c2ccccc21 ZINC000352400115 174194501 /nfs/dbraw/zinc/19/45/01/174194501.db2.gz BUSILYOGZLBRRK-HNNXBMFYSA-N 0 0 247.382 3.673 20 0 BHADRN COCCCCN1C[C@H](C(C)C)c2ccccc21 ZINC000352400116 174194646 /nfs/dbraw/zinc/19/46/46/174194646.db2.gz BUSILYOGZLBRRK-OAHLLOKOSA-N 0 0 247.382 3.673 20 0 BHADRN C[C@@H](F)CCN1CC2(CCC2)c2ccccc21 ZINC000352400805 387147461 /nfs/dbraw/zinc/14/74/61/387147461.db2.gz GJRDDFNUKIIYDN-GFCCVEGCSA-N 0 0 233.330 3.676 20 0 BHADRN C[C@H](F)CCN1CC2(CCC2)c2ccccc21 ZINC000352400806 387148351 /nfs/dbraw/zinc/14/83/51/387148351.db2.gz GJRDDFNUKIIYDN-LBPRGKRZSA-N 0 0 233.330 3.676 20 0 BHADRN FCCCCN1CC2(CCC2)c2ccccc21 ZINC000352402782 180924082 /nfs/dbraw/zinc/92/40/82/180924082.db2.gz PPMMLRVOYSZNTI-UHFFFAOYSA-N 0 0 233.330 3.678 20 0 BHADRN CCCC[C@@H](C)N(C)Cc1ncc(Cl)s1 ZINC000352409895 356341171 /nfs/dbraw/zinc/34/11/71/356341171.db2.gz MYXBKLJDVPKZBM-SECBINFHSA-N 0 0 246.807 3.807 20 0 BHADRN CCCC[C@H](C)N(C)Cc1ncc(Cl)s1 ZINC000352409896 356341159 /nfs/dbraw/zinc/34/11/59/356341159.db2.gz MYXBKLJDVPKZBM-VIFPVBQESA-N 0 0 246.807 3.807 20 0 BHADRN CCC1CCC(C(=O)N(C(C)C)C2CC2)CC1 ZINC000352410380 387168367 /nfs/dbraw/zinc/16/83/67/387168367.db2.gz PNTLOGCXDQPBNU-UHFFFAOYSA-N 0 0 237.387 3.602 20 0 BHADRN CCCC[C@@H](C)[N@H+](C)Cc1c(C)onc1CC ZINC000352424598 356348213 /nfs/dbraw/zinc/34/82/13/356348213.db2.gz UIUCUXXKECIZLD-LLVKDONJSA-N 0 0 238.375 3.556 20 0 BHADRN CCCC[C@H](C)[N@H+](C)Cc1c(C)onc1CC ZINC000352424599 356348168 /nfs/dbraw/zinc/34/81/68/356348168.db2.gz UIUCUXXKECIZLD-NSHDSACASA-N 0 0 238.375 3.556 20 0 BHADRN CC[C@H](C)CCC(=O)N1CCC[C@@H]1C1CCC1 ZINC000352428201 171264572 /nfs/dbraw/zinc/26/45/72/171264572.db2.gz OLPNKJNLFIENOG-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H](C)CCC(=O)N1CCC[C@H]1C1CCC1 ZINC000352428202 171264477 /nfs/dbraw/zinc/26/44/77/171264477.db2.gz OLPNKJNLFIENOG-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](C)CCC(=O)N1CCC[C@H]1C1CCC1 ZINC000352428203 387191527 /nfs/dbraw/zinc/19/15/27/387191527.db2.gz OLPNKJNLFIENOG-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](C)CCC(=O)N1CCC[C@@H]1C1CCC1 ZINC000352428204 387191358 /nfs/dbraw/zinc/19/13/58/387191358.db2.gz OLPNKJNLFIENOG-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1CCC(C(=O)Nc2cnccc2C)CC1 ZINC000352436658 387199197 /nfs/dbraw/zinc/19/91/97/387199197.db2.gz BAIALUJPZQKCIH-UHFFFAOYSA-N 0 0 246.354 3.545 20 0 BHADRN c1coc(C[NH2+]Cc2ccc3sccc3c2)c1 ZINC000352449420 388536675 /nfs/dbraw/zinc/53/66/75/388536675.db2.gz ZODQUIXZJWVGLE-UHFFFAOYSA-N 0 0 243.331 3.784 20 0 BHADRN Cc1cc(C(=O)NCC[C@@H]2CCC[C@H](C)C2)co1 ZINC000352453662 387216318 /nfs/dbraw/zinc/21/63/18/387216318.db2.gz GVRDDXJNEXUGNP-AAEUAGOBSA-N 0 0 249.354 3.534 20 0 BHADRN Cc1cc(C(=O)NCC[C@H]2CCC[C@@H](C)C2)co1 ZINC000352453663 177785840 /nfs/dbraw/zinc/78/58/40/177785840.db2.gz GVRDDXJNEXUGNP-DGCLKSJQSA-N 0 0 249.354 3.534 20 0 BHADRN Cc1cc(C(=O)NCC[C@H]2CCC[C@H](C)C2)co1 ZINC000352453664 387216500 /nfs/dbraw/zinc/21/65/00/387216500.db2.gz GVRDDXJNEXUGNP-WCQYABFASA-N 0 0 249.354 3.534 20 0 BHADRN Cc1cc(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)co1 ZINC000352453665 177785227 /nfs/dbraw/zinc/78/52/27/177785227.db2.gz GVRDDXJNEXUGNP-YPMHNXCESA-N 0 0 249.354 3.534 20 0 BHADRN Cc1cc(C(=O)NCC[C@@H]2CCCC[C@@H]2C)co1 ZINC000352454222 387216339 /nfs/dbraw/zinc/21/63/39/387216339.db2.gz JSBZVUAWUMNQEE-AAEUAGOBSA-N 0 0 249.354 3.534 20 0 BHADRN Cc1cc(C(=O)NCC[C@H]2CCCC[C@H]2C)co1 ZINC000352454223 387216883 /nfs/dbraw/zinc/21/68/83/387216883.db2.gz JSBZVUAWUMNQEE-DGCLKSJQSA-N 0 0 249.354 3.534 20 0 BHADRN Cc1cc(C(=O)NCC[C@H]2CCCC[C@@H]2C)co1 ZINC000352454224 387215752 /nfs/dbraw/zinc/21/57/52/387215752.db2.gz JSBZVUAWUMNQEE-WCQYABFASA-N 0 0 249.354 3.534 20 0 BHADRN Cc1cc(C(=O)NCC[C@@H]2CCCC[C@H]2C)co1 ZINC000352454225 387216512 /nfs/dbraw/zinc/21/65/12/387216512.db2.gz JSBZVUAWUMNQEE-YPMHNXCESA-N 0 0 249.354 3.534 20 0 BHADRN Cc1cc([C@H](C)NC(=O)C(C)(C)C2CC2)c(C)o1 ZINC000352462904 178244558 /nfs/dbraw/zinc/24/45/58/178244558.db2.gz USNYZDHNFFJTJX-JTQLQIEISA-N 0 0 249.354 3.510 20 0 BHADRN Cc1cc([C@@H](C)NC(=O)C(C)(C)C2CC2)c(C)o1 ZINC000352462905 178220699 /nfs/dbraw/zinc/22/06/99/178220699.db2.gz USNYZDHNFFJTJX-SNVBAGLBSA-N 0 0 249.354 3.510 20 0 BHADRN CCC1CCC(CNC(=O)c2coc(C)c2)CC1 ZINC000352480917 387262167 /nfs/dbraw/zinc/26/21/67/387262167.db2.gz KBDBCQWPIYRKRD-UHFFFAOYSA-N 0 0 249.354 3.534 20 0 BHADRN FC(F)(F)[C@H](NC1CCC2(CC2)CC1)C1CC1 ZINC000352505071 387267342 /nfs/dbraw/zinc/26/73/42/387267342.db2.gz XLFBHPIZDISVAP-LLVKDONJSA-N 0 0 247.304 3.640 20 0 BHADRN FC(F)(F)[C@@H](NC1CCC2(CC2)CC1)C1CC1 ZINC000352505072 387267066 /nfs/dbraw/zinc/26/70/66/387267066.db2.gz XLFBHPIZDISVAP-NSHDSACASA-N 0 0 247.304 3.640 20 0 BHADRN CC(C)(C)OCCCCn1cnc2ccccc21 ZINC000352536472 387296086 /nfs/dbraw/zinc/29/60/86/387296086.db2.gz FWVFQKDDFYYMLO-UHFFFAOYSA-N 0 0 246.354 3.632 20 0 BHADRN CC(C)c1nccn1CCCCOC(C)(C)C ZINC000352537499 387301228 /nfs/dbraw/zinc/30/12/28/387301228.db2.gz VXKAPGVOBFJJGO-UHFFFAOYSA-N 0 0 238.375 3.602 20 0 BHADRN Cc1cnc(CSCC2CCCCC2)cn1 ZINC000352538860 179616159 /nfs/dbraw/zinc/61/61/59/179616159.db2.gz QELQXFBGWURQHB-UHFFFAOYSA-N 0 0 236.384 3.599 20 0 BHADRN Cc1cnc(CSCc2ccccc2C)cn1 ZINC000352539583 387306711 /nfs/dbraw/zinc/30/67/11/387306711.db2.gz ZOBFZDQPIVGGAV-UHFFFAOYSA-N 0 0 244.363 3.527 20 0 BHADRN COC(=O)CNc1c(C(C)C)cccc1C(C)C ZINC000352547315 387308110 /nfs/dbraw/zinc/30/81/10/387308110.db2.gz DVCFFZWKOLMYJS-UHFFFAOYSA-N 0 0 249.354 3.518 20 0 BHADRN CC1(C)CC(CC(=O)N(CC2CC2)C2CCC2)C1 ZINC000352563714 398321459 /nfs/dbraw/zinc/32/14/59/398321459.db2.gz SKSYBDVGMRXLQN-UHFFFAOYSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(CC(=O)N(CC1CC1)C1CCC1)C1CC1 ZINC000352563923 188229962 /nfs/dbraw/zinc/22/99/62/188229962.db2.gz URKOZVFWBZRNIQ-UHFFFAOYSA-N 0 0 249.398 3.604 20 0 BHADRN CCCC1CCC(NC(=O)c2coc(C)c2)CC1 ZINC000352575437 387335634 /nfs/dbraw/zinc/33/56/34/387335634.db2.gz JQYMCHQCKZCLRL-UHFFFAOYSA-N 0 0 249.354 3.677 20 0 BHADRN CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(C)cc1 ZINC000352581127 366559044 /nfs/dbraw/zinc/55/90/44/366559044.db2.gz RQSFUSHNXWLJOQ-CMPLNLGQSA-N 0 0 245.288 3.987 20 0 BHADRN CC[C@H](N[C@@H](C)C(F)(F)F)c1ccc(C)cc1 ZINC000352581128 171536560 /nfs/dbraw/zinc/53/65/60/171536560.db2.gz RQSFUSHNXWLJOQ-JQWIXIFHSA-N 0 0 245.288 3.987 20 0 BHADRN CC[C@H](N[C@H](C)C(F)(F)F)c1ccc(C)cc1 ZINC000352581129 171544198 /nfs/dbraw/zinc/54/41/98/171544198.db2.gz RQSFUSHNXWLJOQ-PWSUYJOCSA-N 0 0 245.288 3.987 20 0 BHADRN CC[C@@H](N[C@H](C)C(F)(F)F)c1ccc(C)cc1 ZINC000352581130 170911668 /nfs/dbraw/zinc/91/16/68/170911668.db2.gz RQSFUSHNXWLJOQ-ZYHUDNBSSA-N 0 0 245.288 3.987 20 0 BHADRN C[C@@H](N[C@@H]1CCCc2ccccc21)C(F)(F)F ZINC000352581490 388537071 /nfs/dbraw/zinc/53/70/71/388537071.db2.gz WJBGQGFDHTVMSC-BXKDBHETSA-N 0 0 243.272 3.604 20 0 BHADRN C[C@H](N[C@H]1CCCc2ccccc21)C(F)(F)F ZINC000352581491 388536669 /nfs/dbraw/zinc/53/66/69/388536669.db2.gz WJBGQGFDHTVMSC-CABZTGNLSA-N 0 0 243.272 3.604 20 0 BHADRN C[C@H](N[C@@H]1CCCc2ccccc21)C(F)(F)F ZINC000352581492 176898220 /nfs/dbraw/zinc/89/82/20/176898220.db2.gz WJBGQGFDHTVMSC-JOYOIKCWSA-N 0 0 243.272 3.604 20 0 BHADRN C[C@@H](N[C@H]1CCCc2ccccc21)C(F)(F)F ZINC000352581493 175925244 /nfs/dbraw/zinc/92/52/44/175925244.db2.gz WJBGQGFDHTVMSC-SKDRFNHKSA-N 0 0 243.272 3.604 20 0 BHADRN CC[C@@H](N[C@@H](C)C(F)(F)F)c1cccc(F)c1 ZINC000352581742 366558254 /nfs/dbraw/zinc/55/82/54/366558254.db2.gz YVAGEYMWRNOEMC-GZMMTYOYSA-N 0 0 249.251 3.817 20 0 BHADRN CC[C@H](N[C@H](C)C(F)(F)F)c1cccc(F)c1 ZINC000352581743 388537350 /nfs/dbraw/zinc/53/73/50/388537350.db2.gz YVAGEYMWRNOEMC-KCJUWKMLSA-N 0 0 249.251 3.817 20 0 BHADRN CC[C@H](N[C@@H](C)C(F)(F)F)c1cccc(F)c1 ZINC000352581744 388537292 /nfs/dbraw/zinc/53/72/92/388537292.db2.gz YVAGEYMWRNOEMC-KWQFWETISA-N 0 0 249.251 3.817 20 0 BHADRN CC[C@@H](N[C@H](C)C(F)(F)F)c1cccc(F)c1 ZINC000352581745 366558014 /nfs/dbraw/zinc/55/80/14/366558014.db2.gz YVAGEYMWRNOEMC-LDYMZIIASA-N 0 0 249.251 3.817 20 0 BHADRN CC[C@H](C)CCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000352583937 171265830 /nfs/dbraw/zinc/26/58/30/171265830.db2.gz RJFAEHLBZVTIII-AVGNSLFASA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H](C)CCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000352583938 171265795 /nfs/dbraw/zinc/26/57/95/171265795.db2.gz RJFAEHLBZVTIII-RWMBFGLXSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@@H](C)CCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000352583939 387344793 /nfs/dbraw/zinc/34/47/93/387344793.db2.gz RJFAEHLBZVTIII-UPJWGTAASA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H](C)CCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000352583940 171266108 /nfs/dbraw/zinc/26/61/08/171266108.db2.gz RJFAEHLBZVTIII-YNEHKIRRSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(F)cc1 ZINC000352589570 356385562 /nfs/dbraw/zinc/38/55/62/356385562.db2.gz LDRMMNXWSFUPGN-GZMMTYOYSA-N 0 0 249.251 3.817 20 0 BHADRN CC[C@H](N[C@H](C)C(F)(F)F)c1ccc(F)cc1 ZINC000352589571 388536447 /nfs/dbraw/zinc/53/64/47/388536447.db2.gz LDRMMNXWSFUPGN-KCJUWKMLSA-N 0 0 249.251 3.817 20 0 BHADRN CC[C@H](N[C@@H](C)C(F)(F)F)c1ccc(F)cc1 ZINC000352589572 388537384 /nfs/dbraw/zinc/53/73/84/388537384.db2.gz LDRMMNXWSFUPGN-KWQFWETISA-N 0 0 249.251 3.817 20 0 BHADRN CC[C@@H](N[C@H](C)C(F)(F)F)c1ccc(F)cc1 ZINC000352589573 170911531 /nfs/dbraw/zinc/91/15/31/170911531.db2.gz LDRMMNXWSFUPGN-LDYMZIIASA-N 0 0 249.251 3.817 20 0 BHADRN CC1(C(=O)Nc2csc3ccccc23)CC1 ZINC000352596463 167874776 /nfs/dbraw/zinc/87/47/76/167874776.db2.gz ANGSSEYGRHZXBE-UHFFFAOYSA-N 0 0 231.320 3.640 20 0 BHADRN 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/nfs/dbraw/zinc/33/47/42/183334742.db2.gz KLFFUXLUHLGRFE-GJZGRUSLSA-N 0 0 242.366 3.950 20 0 BHADRN c1cc(C2CC2)cc(N[C@@H]2CC[C@@H]2C2CCC2)n1 ZINC000353539235 183334737 /nfs/dbraw/zinc/33/47/37/183334737.db2.gz KLFFUXLUHLGRFE-HUUCEWRRSA-N 0 0 242.366 3.950 20 0 BHADRN c1cc(C2CC2)cc(N[C@@H]2CC[C@H]2C2CCC2)n1 ZINC000353539236 183335456 /nfs/dbraw/zinc/33/54/56/183335456.db2.gz KLFFUXLUHLGRFE-LSDHHAIUSA-N 0 0 242.366 3.950 20 0 BHADRN CC(C)CN(Cc1cccnc1)c1ccccc1 ZINC000353543400 356712966 /nfs/dbraw/zinc/71/29/66/356712966.db2.gz NONKETBKFZAAEK-UHFFFAOYSA-N 0 0 240.350 3.744 20 0 BHADRN CCc1noc([C@H](Cc2ccccc2)C(C)C)n1 ZINC000353543856 172092290 /nfs/dbraw/zinc/09/22/90/172092290.db2.gz YRLNGSQAHUBPEG-CYBMUJFWSA-N 0 0 244.338 3.614 20 0 BHADRN CCc1noc([C@@H](Cc2ccccc2)C(C)C)n1 ZINC000353543858 172090399 /nfs/dbraw/zinc/09/03/99/172090399.db2.gz YRLNGSQAHUBPEG-ZDUSSCGKSA-N 0 0 244.338 3.614 20 0 BHADRN C[C@]12C[C@H]1CCC[C@H]2Nc1cc(C2CC2)ccn1 ZINC000353548290 386824598 /nfs/dbraw/zinc/82/45/98/386824598.db2.gz LKSCNWFWDQPOMU-FMKPAKJESA-N 0 0 242.366 3.950 20 0 BHADRN C[C@]12C[C@H]1CCC[C@@H]2Nc1cc(C2CC2)ccn1 ZINC000353548292 386827435 /nfs/dbraw/zinc/82/74/35/386827435.db2.gz LKSCNWFWDQPOMU-YCPHGPKFSA-N 0 0 242.366 3.950 20 0 BHADRN Cc1oncc1CN(CC(C)C)c1ccccc1 ZINC000353549964 187886621 /nfs/dbraw/zinc/88/66/21/187886621.db2.gz MBXVQGITLHSOQK-UHFFFAOYSA-N 0 0 244.338 3.646 20 0 BHADRN CC(C)CN(Cc1nccs1)c1ccccc1 ZINC000353549994 356713204 /nfs/dbraw/zinc/71/32/04/356713204.db2.gz MKXDQZQEQILPFM-UHFFFAOYSA-N 0 0 246.379 3.806 20 0 BHADRN CCCC[C@@H](COC)Nc1cc(C2CC2)ccn1 ZINC000353552101 356713360 /nfs/dbraw/zinc/71/33/60/356713360.db2.gz XAAWETFYDACNLN-AWEZNQCLSA-N 0 0 248.370 3.576 20 0 BHADRN CCCC[C@H](COC)Nc1cc(C2CC2)ccn1 ZINC000353552102 169004174 /nfs/dbraw/zinc/00/41/74/169004174.db2.gz XAAWETFYDACNLN-CQSZACIVSA-N 0 0 248.370 3.576 20 0 BHADRN c1cc(C2CC2)cc(N[C@H]2CCC[C@@H]2C2CC2)n1 ZINC000353555512 183335490 /nfs/dbraw/zinc/33/54/90/183335490.db2.gz CKQUAMJSPPAYPY-CABCVRRESA-N 0 0 242.366 3.950 20 0 BHADRN c1cc(C2CC2)cc(N[C@H]2CCC[C@H]2C2CC2)n1 ZINC000353555513 183334626 /nfs/dbraw/zinc/33/46/26/183334626.db2.gz CKQUAMJSPPAYPY-GJZGRUSLSA-N 0 0 242.366 3.950 20 0 BHADRN c1cc(C2CC2)cc(N[C@@H]2CCC[C@@H]2C2CC2)n1 ZINC000353555514 183334677 /nfs/dbraw/zinc/33/46/77/183334677.db2.gz CKQUAMJSPPAYPY-HUUCEWRRSA-N 0 0 242.366 3.950 20 0 BHADRN c1cc(C2CC2)cc(N[C@@H]2CCC[C@H]2C2CC2)n1 ZINC000353555515 183334372 /nfs/dbraw/zinc/33/43/72/183334372.db2.gz CKQUAMJSPPAYPY-LSDHHAIUSA-N 0 0 242.366 3.950 20 0 BHADRN CCC1(NC(=O)c2cc(C(C)C)oc2C)CCC1 ZINC000353557856 387229210 /nfs/dbraw/zinc/22/92/10/387229210.db2.gz CBFLVKXQCNWDID-UHFFFAOYSA-N 0 0 249.354 3.774 20 0 BHADRN c1cc(C2CC2)cc(N[C@@H]2CCC23CCC3)n1 ZINC000353561617 183334518 /nfs/dbraw/zinc/33/45/18/183334518.db2.gz QQEJHDPZQPSCBO-CYBMUJFWSA-N 0 0 228.339 3.704 20 0 BHADRN c1cc(C2CC2)cc(N[C@H]2CCC23CCC3)n1 ZINC000353561618 183334660 /nfs/dbraw/zinc/33/46/60/183334660.db2.gz QQEJHDPZQPSCBO-ZDUSSCGKSA-N 0 0 228.339 3.704 20 0 BHADRN CC(C)CN(Cc1ccccn1)c1ccccc1 ZINC000353562470 356713701 /nfs/dbraw/zinc/71/37/01/356713701.db2.gz AQRIPZKFHFORSJ-UHFFFAOYSA-N 0 0 240.350 3.744 20 0 BHADRN C[C@H](CCC1CC1)Nc1cc(C2CC2)ccn1 ZINC000353565714 387230312 /nfs/dbraw/zinc/23/03/12/387230312.db2.gz XDTNEAVYHOPJAR-LLVKDONJSA-N 0 0 230.355 3.950 20 0 BHADRN C[C@@H](CCC1CC1)Nc1cc(C2CC2)ccn1 ZINC000353565716 387231273 /nfs/dbraw/zinc/23/12/73/387231273.db2.gz XDTNEAVYHOPJAR-NSHDSACASA-N 0 0 230.355 3.950 20 0 BHADRN CC(C)CN(Cc1ccncc1)c1ccccc1 ZINC000353566207 356714233 /nfs/dbraw/zinc/71/42/33/356714233.db2.gz FCVJVWYEPYRKCN-UHFFFAOYSA-N 0 0 240.350 3.744 20 0 BHADRN C[C@@H](Nc1cc(C2CC2)ccn1)C1CCCC1 ZINC000353570645 387232601 /nfs/dbraw/zinc/23/26/01/387232601.db2.gz FBNINZKSDXMFDO-LLVKDONJSA-N 0 0 230.355 3.950 20 0 BHADRN C[C@H](Nc1cc(C2CC2)ccn1)C1CCCC1 ZINC000353570646 387233955 /nfs/dbraw/zinc/23/39/55/387233955.db2.gz FBNINZKSDXMFDO-NSHDSACASA-N 0 0 230.355 3.950 20 0 BHADRN CC1CCC(N(C)C(=O)[C@H]2CC23CCCC3)CC1 ZINC000353576984 168157492 /nfs/dbraw/zinc/15/74/92/168157492.db2.gz SGAVFKMLIXAOGC-JXQTWKCFSA-N 0 0 249.398 3.604 20 0 BHADRN CC1CCC(N(C)C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000353576985 168158009 /nfs/dbraw/zinc/15/80/09/168158009.db2.gz SGAVFKMLIXAOGC-RUXDESIVSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H](C)CCC(=O)N1CCc2cccc(C)c21 ZINC000353584823 387235239 /nfs/dbraw/zinc/23/52/39/387235239.db2.gz LRKPDDVCLWXPQT-GFCCVEGCSA-N 0 0 245.366 3.710 20 0 BHADRN CC[C@H](C)CCC(=O)N1CCc2cccc(C)c21 ZINC000353584824 171265818 /nfs/dbraw/zinc/26/58/18/171265818.db2.gz LRKPDDVCLWXPQT-LBPRGKRZSA-N 0 0 245.366 3.710 20 0 BHADRN CC[C@@H](NC1(C(F)F)CC1)c1cccc(C)c1 ZINC000353594592 387238445 /nfs/dbraw/zinc/23/84/45/387238445.db2.gz NDAAGIJOPYOYNL-GFCCVEGCSA-N 0 0 239.309 3.833 20 0 BHADRN CC[C@H](NC1(C(F)F)CC1)c1cccc(C)c1 ZINC000353594593 387239476 /nfs/dbraw/zinc/23/94/76/387239476.db2.gz NDAAGIJOPYOYNL-LBPRGKRZSA-N 0 0 239.309 3.833 20 0 BHADRN C[C@@H](Nc1ccc(F)c(C2CC2)c1)c1ncc[nH]1 ZINC000353607062 541483570 /nfs/dbraw/zinc/48/35/70/541483570.db2.gz OCHARFWQMVKQGH-SECBINFHSA-N 0 0 245.301 3.599 20 0 BHADRN C[C@H](Nc1ccc(F)c(C2CC2)c1)c1ncc[nH]1 ZINC000353607065 541483698 /nfs/dbraw/zinc/48/36/98/541483698.db2.gz OCHARFWQMVKQGH-VIFPVBQESA-N 0 0 245.301 3.599 20 0 BHADRN C[C@@H](NCC(F)(F)c1ccccc1)C1(C)CC1 ZINC000353613374 387241995 /nfs/dbraw/zinc/24/19/95/387241995.db2.gz VEGXGOPXWQJORO-LLVKDONJSA-N 0 0 239.309 3.557 20 0 BHADRN C[C@H](NCC(F)(F)c1ccccc1)C1(C)CC1 ZINC000353613375 387240790 /nfs/dbraw/zinc/24/07/90/387240790.db2.gz VEGXGOPXWQJORO-NSHDSACASA-N 0 0 239.309 3.557 20 0 BHADRN CC1CCC(CN(CC(F)F)C2CC2)CC1 ZINC000353616306 168152945 /nfs/dbraw/zinc/15/29/45/168152945.db2.gz ZKFABKLDGLIIMZ-UHFFFAOYSA-N 0 0 231.330 3.542 20 0 BHADRN COc1ccccc1N[C@H](C)c1cc(C)ccn1 ZINC000353622554 175338845 /nfs/dbraw/zinc/33/88/45/175338845.db2.gz OALOQECBFUHGLB-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccccc1N[C@@H](C)c1cc(C)ccn1 ZINC000353622555 175338624 /nfs/dbraw/zinc/33/86/24/175338624.db2.gz OALOQECBFUHGLB-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1cccc(CN(CC(F)F)C2CC2)c1C ZINC000353626764 179072191 /nfs/dbraw/zinc/07/21/91/179072191.db2.gz YQJMMFSBXKJBAB-UHFFFAOYSA-N 0 0 239.309 3.533 20 0 BHADRN Fc1ccc(Cl)cc1CN1CCC12CCC2 ZINC000353646907 387247993 /nfs/dbraw/zinc/24/79/93/387247993.db2.gz JZXDOKLWCJLFIU-UHFFFAOYSA-N 0 0 239.721 3.608 20 0 BHADRN C[C@@H](Nc1cccc2ccccc21)c1ncc[nH]1 ZINC000353648349 541484242 /nfs/dbraw/zinc/48/42/42/541484242.db2.gz OTWGTWZATSOSQJ-LLVKDONJSA-N 0 0 237.306 3.736 20 0 BHADRN C[C@H](Nc1cccc2ccccc21)c1ncc[nH]1 ZINC000353648352 541484521 /nfs/dbraw/zinc/48/45/21/541484521.db2.gz OTWGTWZATSOSQJ-NSHDSACASA-N 0 0 237.306 3.736 20 0 BHADRN c1c2ccccc2oc1C[N@@H+]1CCC12CCC2 ZINC000353651610 387251340 /nfs/dbraw/zinc/25/13/40/387251340.db2.gz HALLIUSFFDKQND-UHFFFAOYSA-N 0 0 227.307 3.561 20 0 BHADRN Fc1ccc(CN2CCC23CCC3)cc1Cl ZINC000353653601 387251376 /nfs/dbraw/zinc/25/13/76/387251376.db2.gz LEMYISDGVKWGBN-UHFFFAOYSA-N 0 0 239.721 3.608 20 0 BHADRN c1cc(C2CC2)cc(N[C@H]2CC[C@H]2C2CC2)n1 ZINC000353655565 538754368 /nfs/dbraw/zinc/75/43/68/538754368.db2.gz HAYRKQKFGBLWGW-KBPBESRZSA-N 0 0 228.339 3.560 20 0 BHADRN c1cc(C2CC2)cc(N[C@H]2CC[C@@H]2C2CC2)n1 ZINC000353655566 538755555 /nfs/dbraw/zinc/75/55/55/538755555.db2.gz HAYRKQKFGBLWGW-KGLIPLIRSA-N 0 0 228.339 3.560 20 0 BHADRN c1cc(C2CC2)cc(N[C@@H]2CC[C@H]2C2CC2)n1 ZINC000353655568 538754594 /nfs/dbraw/zinc/75/45/94/538754594.db2.gz HAYRKQKFGBLWGW-UONOGXRCSA-N 0 0 228.339 3.560 20 0 BHADRN c1cc(C2CC2)cc(N[C@@H]2CC[C@@H]2C2CC2)n1 ZINC000353655569 538755345 /nfs/dbraw/zinc/75/53/45/538755345.db2.gz HAYRKQKFGBLWGW-ZIAGYGMSSA-N 0 0 228.339 3.560 20 0 BHADRN Fc1cc(CN2CCC23CCC3)ccc1Cl ZINC000353665274 387253033 /nfs/dbraw/zinc/25/30/33/387253033.db2.gz KGFKWSFBOZVPCV-UHFFFAOYSA-N 0 0 239.721 3.608 20 0 BHADRN CC[C@H](Nc1cnn(C)c1C)c1cccc(C)c1 ZINC000353666125 386953330 /nfs/dbraw/zinc/95/33/30/386953330.db2.gz NGRFLPZZJRQNNB-AWEZNQCLSA-N 0 0 243.354 3.600 20 0 BHADRN CC[C@@H](Nc1cnn(C)c1C)c1cccc(C)c1 ZINC000353666126 352721091 /nfs/dbraw/zinc/72/10/91/352721091.db2.gz NGRFLPZZJRQNNB-CQSZACIVSA-N 0 0 243.354 3.600 20 0 BHADRN Fc1c(Cl)cccc1CN1CCC12CCC2 ZINC000353667093 387253446 /nfs/dbraw/zinc/25/34/46/387253446.db2.gz SEYJJNHVPCMZRL-UHFFFAOYSA-N 0 0 239.721 3.608 20 0 BHADRN C[C@@H](Nc1cccc2ccsc21)c1ncc[nH]1 ZINC000353669384 538754042 /nfs/dbraw/zinc/75/40/42/538754042.db2.gz IYMMGVMYQPMMHI-SECBINFHSA-N 0 0 243.335 3.798 20 0 BHADRN C[C@H](Nc1cccc2ccsc21)c1ncc[nH]1 ZINC000353669399 538754076 /nfs/dbraw/zinc/75/40/76/538754076.db2.gz IYMMGVMYQPMMHI-VIFPVBQESA-N 0 0 243.335 3.798 20 0 BHADRN CC[C@@H](N[C@@H](C)c1ccon1)c1cccc(C)c1 ZINC000353674915 387255699 /nfs/dbraw/zinc/25/56/99/387255699.db2.gz VBRUCXSGZARXBA-GXTWGEPZSA-N 0 0 244.338 3.785 20 0 BHADRN CC[C@H](N[C@@H](C)c1ccon1)c1cccc(C)c1 ZINC000353674917 387255335 /nfs/dbraw/zinc/25/53/35/387255335.db2.gz VBRUCXSGZARXBA-JSGCOSHPSA-N 0 0 244.338 3.785 20 0 BHADRN CC[C@H](N[C@H](C)c1ccon1)c1cccc(C)c1 ZINC000353674918 387255632 /nfs/dbraw/zinc/25/56/32/387255632.db2.gz VBRUCXSGZARXBA-OCCSQVGLSA-N 0 0 244.338 3.785 20 0 BHADRN CC[C@@H](N[C@H](C)c1ccon1)c1cccc(C)c1 ZINC000353674920 352736274 /nfs/dbraw/zinc/73/62/74/352736274.db2.gz VBRUCXSGZARXBA-TZMCWYRMSA-N 0 0 244.338 3.785 20 0 BHADRN CCC(CC)CC(=O)Nc1cccc(C2CC2)n1 ZINC000353675908 168347404 /nfs/dbraw/zinc/34/74/04/168347404.db2.gz GBMFVGPVFAKCQA-UHFFFAOYSA-N 0 0 246.354 3.724 20 0 BHADRN Cc1c(NC2CCC3(CCCC3)CC2)cnn1C ZINC000353676505 387255674 /nfs/dbraw/zinc/25/56/74/387255674.db2.gz JYGPTBGYSNOVSM-UHFFFAOYSA-N 0 0 247.386 3.643 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc(C2CC2)n1 ZINC000353690180 356716303 /nfs/dbraw/zinc/71/63/03/356716303.db2.gz OGERTXGKGLIWKX-LLVKDONJSA-N 0 0 246.354 3.724 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc(C2CC2)n1 ZINC000353690181 356716433 /nfs/dbraw/zinc/71/64/33/356716433.db2.gz OGERTXGKGLIWKX-NSHDSACASA-N 0 0 246.354 3.724 20 0 BHADRN CC[C@@]1(C)CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000353691834 171199894 /nfs/dbraw/zinc/19/98/94/171199894.db2.gz UTFKCOKXPOAKEB-AWEZNQCLSA-N 0 0 221.344 3.600 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1cccc(C2CC2)n1 ZINC000353692560 169357159 /nfs/dbraw/zinc/35/71/59/169357159.db2.gz UTSRJTVPBKBJON-LLVKDONJSA-N 0 0 246.354 3.724 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1cccc(C2CC2)n1 ZINC000353692564 387258347 /nfs/dbraw/zinc/25/83/47/387258347.db2.gz UTSRJTVPBKBJON-NSHDSACASA-N 0 0 246.354 3.724 20 0 BHADRN CCC(C)(C)CC(=O)Nc1cccc(C2CC2)n1 ZINC000353695783 168274699 /nfs/dbraw/zinc/27/46/99/168274699.db2.gz VITYMGFTJOKKAX-UHFFFAOYSA-N 0 0 246.354 3.724 20 0 BHADRN CC[C@@]1(C)CCC[N@H+](Cc2occc2C)C1 ZINC000353702442 171199726 /nfs/dbraw/zinc/19/97/26/171199726.db2.gz JAZFXBCRYXUXPV-AWEZNQCLSA-N 0 0 221.344 3.600 20 0 BHADRN CC(C)[C@@H](C)Sc1nnc(C(C)(C)C)o1 ZINC000353706914 167388979 /nfs/dbraw/zinc/38/89/79/167388979.db2.gz FDRLVFDPQNFFCN-MRVPVSSYSA-N 0 0 228.361 3.504 20 0 BHADRN CC(C)[C@H](C)Sc1nnc(C(C)(C)C)o1 ZINC000353706916 188234601 /nfs/dbraw/zinc/23/46/01/188234601.db2.gz FDRLVFDPQNFFCN-QMMMGPOBSA-N 0 0 228.361 3.504 20 0 BHADRN CC[C@@H](C)CCC(=O)N1Cc2ccccc2[C@H]1C ZINC000353714955 387263880 /nfs/dbraw/zinc/26/38/80/387263880.db2.gz LMRCFLZXEYHQRU-CHWSQXEVSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@@H](C)CCC(=O)N1Cc2ccccc2[C@@H]1C ZINC000353714958 387264049 /nfs/dbraw/zinc/26/40/49/387264049.db2.gz LMRCFLZXEYHQRU-OLZOCXBDSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@H](C)CCC(=O)N1Cc2ccccc2[C@H]1C ZINC000353715851 536119853 /nfs/dbraw/zinc/11/98/53/536119853.db2.gz LMRCFLZXEYHQRU-QWHCGFSZSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@H](C)CCC(=O)N1Cc2ccccc2[C@@H]1C ZINC000353715852 386507551 /nfs/dbraw/zinc/50/75/51/386507551.db2.gz LMRCFLZXEYHQRU-STQMWFEESA-N 0 0 245.366 3.916 20 0 BHADRN Cc1cc(F)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000353721601 386551032 /nfs/dbraw/zinc/55/10/32/386551032.db2.gz QXLQTWYZGXKSAE-UHFFFAOYSA-N 0 0 233.330 3.510 20 0 BHADRN CC(C)(C)CCC(=O)Nc1cccc(C2CC2)n1 ZINC000353731933 387265455 /nfs/dbraw/zinc/26/54/55/387265455.db2.gz WVOYHXXRGFLCBK-UHFFFAOYSA-N 0 0 246.354 3.724 20 0 BHADRN C[C@@H](C(=O)Nc1cccc(C2CC2)n1)C(C)(C)C ZINC000353738519 387268154 /nfs/dbraw/zinc/26/81/54/387268154.db2.gz NCPILGVEXOSBDQ-JTQLQIEISA-N 0 0 246.354 3.580 20 0 BHADRN C[C@H](C(=O)Nc1cccc(C2CC2)n1)C(C)(C)C ZINC000353738521 387267309 /nfs/dbraw/zinc/26/73/09/387267309.db2.gz NCPILGVEXOSBDQ-SNVBAGLBSA-N 0 0 246.354 3.580 20 0 BHADRN CC(=O)Nc1ccc(S[C@@H](C)C(C)C)cc1 ZINC000353744552 187373534 /nfs/dbraw/zinc/37/35/34/187373534.db2.gz FMPYYZIZUURJHR-JTQLQIEISA-N 0 0 237.368 3.782 20 0 BHADRN CC(=O)Nc1ccc(S[C@H](C)C(C)C)cc1 ZINC000353744553 188234412 /nfs/dbraw/zinc/23/44/12/188234412.db2.gz FMPYYZIZUURJHR-SNVBAGLBSA-N 0 0 237.368 3.782 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1cccc(C2CC2)n1 ZINC000353748156 387267718 /nfs/dbraw/zinc/26/77/18/387267718.db2.gz NURDANSYJUFEFI-LLVKDONJSA-N 0 0 246.354 3.580 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1cccc(C2CC2)n1 ZINC000353748157 387268467 /nfs/dbraw/zinc/26/84/67/387268467.db2.gz NURDANSYJUFEFI-NSHDSACASA-N 0 0 246.354 3.580 20 0 BHADRN CC[C@@H](C)CCC(=O)Nc1cccc(C2CC2)n1 ZINC000353750260 387270679 /nfs/dbraw/zinc/27/06/79/387270679.db2.gz PPZAKXGPZGWCIF-LLVKDONJSA-N 0 0 246.354 3.724 20 0 BHADRN CC[C@H](C)CCC(=O)Nc1cccc(C2CC2)n1 ZINC000353750261 171268290 /nfs/dbraw/zinc/26/82/90/171268290.db2.gz PPZAKXGPZGWCIF-NSHDSACASA-N 0 0 246.354 3.724 20 0 BHADRN CC(C)[C@H]1[N@H+](Cc2ccsc2)CC1(C)C ZINC000353751002 387269180 /nfs/dbraw/zinc/26/91/80/387269180.db2.gz ZMHIPIXHNYODMZ-GFCCVEGCSA-N 0 0 223.385 3.615 20 0 BHADRN CC(C)[C@@H]1[N@H+](Cc2ccsc2)CC1(C)C ZINC000353751004 387269550 /nfs/dbraw/zinc/26/95/50/387269550.db2.gz ZMHIPIXHNYODMZ-LBPRGKRZSA-N 0 0 223.385 3.615 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(C2CC2)n1 ZINC000353758219 170770275 /nfs/dbraw/zinc/77/02/75/170770275.db2.gz HMNBJXBRKLKKKC-GHMZBOCLSA-N 0 0 246.354 3.580 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(C2CC2)n1 ZINC000353758220 387269110 /nfs/dbraw/zinc/26/91/10/387269110.db2.gz HMNBJXBRKLKKKC-MNOVXSKESA-N 0 0 246.354 3.580 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cccc(C2CC2)n1 ZINC000353758221 171385559 /nfs/dbraw/zinc/38/55/59/171385559.db2.gz HMNBJXBRKLKKKC-QWRGUYRKSA-N 0 0 246.354 3.580 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(C2CC2)n1 ZINC000353758222 171360984 /nfs/dbraw/zinc/36/09/84/171360984.db2.gz HMNBJXBRKLKKKC-WDEREUQCSA-N 0 0 246.354 3.580 20 0 BHADRN CC(C)C(C)(C)C(=O)Nc1cccc(C2CC2)n1 ZINC000353758629 387269734 /nfs/dbraw/zinc/26/97/34/387269734.db2.gz JTJDFRUTTXHAIT-UHFFFAOYSA-N 0 0 246.354 3.580 20 0 BHADRN CCCc1cc(-c2nc([C@@H](C)CC)no2)ccn1 ZINC000353759859 387270564 /nfs/dbraw/zinc/27/05/64/387270564.db2.gz GMJBINYMPUQDGO-JTQLQIEISA-N 0 0 245.326 3.598 20 0 BHADRN CCCc1cc(-c2nc([C@H](C)CC)no2)ccn1 ZINC000353759860 387269461 /nfs/dbraw/zinc/26/94/61/387269461.db2.gz GMJBINYMPUQDGO-SNVBAGLBSA-N 0 0 245.326 3.598 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N[C@@H]1C=CCCC1 ZINC000353768757 353259210 /nfs/dbraw/zinc/25/92/10/353259210.db2.gz PFCUYNYLQDOKEK-GFCCVEGCSA-N 0 0 247.338 3.550 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N[C@H]1C=CCCC1 ZINC000353768758 133642910 /nfs/dbraw/zinc/64/29/10/133642910.db2.gz PFCUYNYLQDOKEK-LBPRGKRZSA-N 0 0 247.338 3.550 20 0 BHADRN Cc1cccc(C)c1C(=O)N(C)CC1CCCC1 ZINC000353772599 179030408 /nfs/dbraw/zinc/03/04/08/179030408.db2.gz DJICMJMLOJPMEK-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1[C@H](C)CC[C@H]1C ZINC000353774890 387273178 /nfs/dbraw/zinc/27/31/78/387273178.db2.gz JJWLPRNITKGHQT-GHMZBOCLSA-N 0 0 249.354 3.724 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000353774891 387272789 /nfs/dbraw/zinc/27/27/89/387272789.db2.gz JJWLPRNITKGHQT-PHIMTYICSA-N 0 0 249.354 3.724 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000353774892 353284434 /nfs/dbraw/zinc/28/44/34/353284434.db2.gz JJWLPRNITKGHQT-QWRGUYRKSA-N 0 0 249.354 3.724 20 0 BHADRN CC(C)[N@H+](Cc1cc(F)ccc1F)C1CCC1 ZINC000353783451 353363508 /nfs/dbraw/zinc/36/35/08/353363508.db2.gz XDGWLRDUMRKIOP-UHFFFAOYSA-N 0 0 239.309 3.728 20 0 BHADRN Cc1cccc(NCCCc2ccc(C)nc2)c1 ZINC000353787830 179143487 /nfs/dbraw/zinc/14/34/87/179143487.db2.gz AQVMNLFUIWHYSJ-UHFFFAOYSA-N 0 0 240.350 3.743 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1cccc(C(C)C)n1 ZINC000353790576 169378452 /nfs/dbraw/zinc/37/84/52/169378452.db2.gz PWIWTLIGXIXKLL-GFCCVEGCSA-N 0 0 248.370 3.514 20 0 BHADRN CCC[C@H](CC)NC(=O)c1cccc(C(C)C)n1 ZINC000353790577 169497025 /nfs/dbraw/zinc/49/70/25/169497025.db2.gz PWIWTLIGXIXKLL-LBPRGKRZSA-N 0 0 248.370 3.514 20 0 BHADRN CCc1cccc(Cl)c1CNCc1ccoc1 ZINC000353792644 387275710 /nfs/dbraw/zinc/27/57/10/387275710.db2.gz UWLUBGJCZSGOMP-UHFFFAOYSA-N 0 0 249.741 3.785 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc2ncccc2c1 ZINC000353797270 169352977 /nfs/dbraw/zinc/35/29/77/169352977.db2.gz LEYBOMXXIVWKOY-LLVKDONJSA-N 0 0 242.322 3.610 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc2ncccc2c1 ZINC000353797271 169475023 /nfs/dbraw/zinc/47/50/23/169475023.db2.gz LEYBOMXXIVWKOY-NSHDSACASA-N 0 0 242.322 3.610 20 0 BHADRN Cc1noc(-c2cc3cc(C)ccc3s2)n1 ZINC000353802164 387278139 /nfs/dbraw/zinc/27/81/39/387278139.db2.gz BJBFNKYYZKJZPF-UHFFFAOYSA-N 0 0 230.292 3.568 20 0 BHADRN Cc1noc(C2(c3ccccc3C)CCCC2)n1 ZINC000353804695 180479389 /nfs/dbraw/zinc/47/93/89/180479389.db2.gz FHOHQEMIONTLLY-UHFFFAOYSA-N 0 0 242.322 3.547 20 0 BHADRN Cc1noc(-c2cscc2-c2ccccc2)n1 ZINC000353808533 387276799 /nfs/dbraw/zinc/27/67/99/387276799.db2.gz KLUXSRQCMOGRAZ-UHFFFAOYSA-N 0 0 242.303 3.774 20 0 BHADRN CCC(CC)c1noc([C@H]2CCCSC2)n1 ZINC000353808674 387277099 /nfs/dbraw/zinc/27/70/99/387277099.db2.gz IHXHLKKQTVMUOK-JTQLQIEISA-N 0 0 240.372 3.584 20 0 BHADRN CCC(CC)c1noc([C@@H]2CCCSC2)n1 ZINC000353808675 168414570 /nfs/dbraw/zinc/41/45/70/168414570.db2.gz IHXHLKKQTVMUOK-SNVBAGLBSA-N 0 0 240.372 3.584 20 0 BHADRN C[C@H]1C[C@H]1Cc1nc(C2CCC(C)CC2)no1 ZINC000353811169 168169513 /nfs/dbraw/zinc/16/95/13/168169513.db2.gz PMMNNIOHIHLWII-ADPBJBESSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@H]1C[C@@H]1Cc1nc(C2CCC(C)CC2)no1 ZINC000353811170 168169822 /nfs/dbraw/zinc/16/98/22/168169822.db2.gz PMMNNIOHIHLWII-POSLAHMBSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@@H]1C[C@H]1Cc1nc(C2CCC(C)CC2)no1 ZINC000353811171 168170144 /nfs/dbraw/zinc/17/01/44/168170144.db2.gz PMMNNIOHIHLWII-RSJDFQLWSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@@H]1C[C@@H]1Cc1nc(C2CCC(C)CC2)no1 ZINC000353811173 168169924 /nfs/dbraw/zinc/16/99/24/168169924.db2.gz PMMNNIOHIHLWII-RUJICJSRSA-N 0 0 234.343 3.562 20 0 BHADRN Cc1ccc(CCCNc2cccc(F)c2)cn1 ZINC000353818886 387280307 /nfs/dbraw/zinc/28/03/07/387280307.db2.gz UTYFTSOKBDEKKB-UHFFFAOYSA-N 0 0 244.313 3.574 20 0 BHADRN Cc1ccc(CCCNc2ccccc2F)cn1 ZINC000353820352 353794701 /nfs/dbraw/zinc/79/47/01/353794701.db2.gz YKSBXHUVOCGNGW-UHFFFAOYSA-N 0 0 244.313 3.574 20 0 BHADRN CCc1noc(-c2ccc(C3=CCCC3)cc2)n1 ZINC000353822585 172071961 /nfs/dbraw/zinc/07/19/61/172071961.db2.gz UBKFCAGXSJPWMA-UHFFFAOYSA-N 0 0 240.306 3.866 20 0 BHADRN CCc1ccc(NCc2cnccc2C)cc1F ZINC000353824646 387279924 /nfs/dbraw/zinc/27/99/24/387279924.db2.gz JMBHAZTZOOSAGZ-UHFFFAOYSA-N 0 0 244.313 3.704 20 0 BHADRN FCCC1(c2nc(C3CCCCC3)no2)CC1 ZINC000353825946 180921450 /nfs/dbraw/zinc/92/14/50/180921450.db2.gz VWHLAVDTJZRFIF-UHFFFAOYSA-N 0 0 238.306 3.509 20 0 BHADRN Cc1ccncc1CNc1cccc(C(F)F)c1 ZINC000353828030 388543888 /nfs/dbraw/zinc/54/38/88/388543888.db2.gz PLSITIKFOAUUOP-UHFFFAOYSA-N 0 0 248.276 3.940 20 0 BHADRN Cc1noc(-c2ccc(C3=CCCC3)cc2)n1 ZINC000353828513 387283172 /nfs/dbraw/zinc/28/31/72/387283172.db2.gz YDDJKYCEHACKDI-UHFFFAOYSA-N 0 0 226.279 3.612 20 0 BHADRN Cc1ccc(CCCNc2ccc(F)cc2)cn1 ZINC000353829324 387282166 /nfs/dbraw/zinc/28/21/66/387282166.db2.gz UEDLJGQHZKTTSB-UHFFFAOYSA-N 0 0 244.313 3.574 20 0 BHADRN C[C@H](c1noc(C2(CCF)CC2)n1)C(C)(C)C ZINC000353836761 177055367 /nfs/dbraw/zinc/05/53/67/177055367.db2.gz QFFBGXSUOWZLQU-SECBINFHSA-N 0 0 240.322 3.610 20 0 BHADRN C[C@@H](c1noc(C2(CCF)CC2)n1)C(C)(C)C ZINC000353836762 176041595 /nfs/dbraw/zinc/04/15/95/176041595.db2.gz QFFBGXSUOWZLQU-VIFPVBQESA-N 0 0 240.322 3.610 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CCC[C@@H](C)CC1 ZINC000353862990 179029883 /nfs/dbraw/zinc/02/98/83/179029883.db2.gz ZJWDUMQYKDKGHM-GFCCVEGCSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CCC[C@H](C)CC1 ZINC000353862992 179030556 /nfs/dbraw/zinc/03/05/56/179030556.db2.gz ZJWDUMQYKDKGHM-LBPRGKRZSA-N 0 0 245.366 3.566 20 0 BHADRN CC/C=C(/C)c1nc(C(CC)(CC)OC)no1 ZINC000353869018 387287884 /nfs/dbraw/zinc/28/78/84/387287884.db2.gz ROSTYDRFKZWFLW-KTKRTIGZSA-N 0 0 238.331 3.545 20 0 BHADRN Cc1[nH]c2ccccc2c1C(=O)CSC(C)C ZINC000353877099 387289645 /nfs/dbraw/zinc/28/96/45/387289645.db2.gz ABDLJLWCGKZZKH-UHFFFAOYSA-N 0 0 247.363 3.801 20 0 BHADRN C[C@@H]1c2ccccc2CN1Cc1ccsc1 ZINC000353881683 386174133 /nfs/dbraw/zinc/17/41/33/386174133.db2.gz MCTXQBNLXIDLIR-LLVKDONJSA-N 0 0 229.348 3.825 20 0 BHADRN C[C@H]1c2ccccc2CN1Cc1ccsc1 ZINC000353881684 386174007 /nfs/dbraw/zinc/17/40/07/386174007.db2.gz MCTXQBNLXIDLIR-NSHDSACASA-N 0 0 229.348 3.825 20 0 BHADRN CC(C)c1cccc(-c2nc(C(C)(C)C)no2)n1 ZINC000353887052 387291827 /nfs/dbraw/zinc/29/18/27/387291827.db2.gz GCHNETJNXCEIMY-UHFFFAOYSA-N 0 0 245.326 3.553 20 0 BHADRN CCCC(C)(C)NC(=O)c1cccc(C(C)C)n1 ZINC000353892314 387291792 /nfs/dbraw/zinc/29/17/92/387291792.db2.gz IAJBKPWPBXDQHV-UHFFFAOYSA-N 0 0 248.370 3.514 20 0 BHADRN CC(C)SCc1cccc2cccnc21 ZINC000353909162 167335939 /nfs/dbraw/zinc/33/59/39/167335939.db2.gz NCQHCFKBYCWMAK-UHFFFAOYSA-N 0 0 217.337 3.876 20 0 BHADRN CC(C)SCc1nc2ccccc2s1 ZINC000353914814 167336130 /nfs/dbraw/zinc/33/61/30/167336130.db2.gz YDZXPFNPBQWZMU-UHFFFAOYSA-N 0 0 223.366 3.938 20 0 BHADRN C[C@H]1c2ccccc2CN1Cc1ccc(F)cc1 ZINC000353936427 136310580 /nfs/dbraw/zinc/31/05/80/136310580.db2.gz YROLUXAVGMRRFY-LBPRGKRZSA-N 0 0 241.309 3.903 20 0 BHADRN Cc1nc(CCOc2c(C)cccc2C)cs1 ZINC000353950169 387303201 /nfs/dbraw/zinc/30/32/01/387303201.db2.gz HTUMIJRVDKDRLA-UHFFFAOYSA-N 0 0 247.363 3.690 20 0 BHADRN Cc1noc(C)c1CCOc1cccc(C)c1C ZINC000353950177 133891510 /nfs/dbraw/zinc/89/15/10/133891510.db2.gz HVKYKJQWYLWIAC-UHFFFAOYSA-N 0 0 245.322 3.530 20 0 BHADRN Cc1ccc([C@@H](C)[NH2+]CC2(C(F)(F)F)CC2)o1 ZINC000353969487 355653126 /nfs/dbraw/zinc/65/31/26/355653126.db2.gz APBZDRDIPWNIFX-SECBINFHSA-N 0 0 247.260 3.581 20 0 BHADRN Cc1ccc([C@H](C)[NH2+]CC2(C(F)(F)F)CC2)o1 ZINC000353969488 355652899 /nfs/dbraw/zinc/65/28/99/355652899.db2.gz APBZDRDIPWNIFX-VIFPVBQESA-N 0 0 247.260 3.581 20 0 BHADRN c1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)cs1 ZINC000353970172 387303661 /nfs/dbraw/zinc/30/36/61/387303661.db2.gz CGNFSSQOPBPLFR-HNNXBMFYSA-N 0 0 243.375 3.565 20 0 BHADRN c1cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cs1 ZINC000353970173 387304065 /nfs/dbraw/zinc/30/40/65/387304065.db2.gz CGNFSSQOPBPLFR-OAHLLOKOSA-N 0 0 243.375 3.565 20 0 BHADRN Cc1ccc(C[N@H+]2CCC[C@@H](CC(C)C)C2)nc1 ZINC000353974882 387305228 /nfs/dbraw/zinc/30/52/28/387305228.db2.gz TWBRYXYJOVUOPO-HNNXBMFYSA-N 0 0 246.398 3.648 20 0 BHADRN Cc1ccc(C[N@H+]2CCC[C@H](CC(C)C)C2)nc1 ZINC000353974883 387304949 /nfs/dbraw/zinc/30/49/49/387304949.db2.gz TWBRYXYJOVUOPO-OAHLLOKOSA-N 0 0 246.398 3.648 20 0 BHADRN CCC1(CNC(=O)C(C2CCC2)C2CCC2)CC1 ZINC000353996496 387306092 /nfs/dbraw/zinc/30/60/92/387306092.db2.gz FBZXFNGHHVRHMG-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)C(C2CCC2)C2CCC2)CCC1 ZINC000353997339 168028084 /nfs/dbraw/zinc/02/80/84/168028084.db2.gz KLIJVKSJMDBEAX-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN CCC1(CNC(=O)c2cc(C(C)C)oc2C)CC1 ZINC000353997898 387309762 /nfs/dbraw/zinc/30/97/62/387309762.db2.gz OXXDTGQJSJTFEW-UHFFFAOYSA-N 0 0 249.354 3.631 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)NCC1(C)CCC1 ZINC000353998091 180530408 /nfs/dbraw/zinc/53/04/08/180530408.db2.gz QMYAAEXEXYHIAT-UHFFFAOYSA-N 0 0 249.354 3.631 20 0 BHADRN CSCc1ccc(NC(=O)C[C@H]2C[C@@H]2C)cc1 ZINC000354002479 387308111 /nfs/dbraw/zinc/30/81/11/387308111.db2.gz NOIWCXOVZGAGOX-CMPLNLGQSA-N 0 0 249.379 3.534 20 0 BHADRN CSCc1ccc(NC(=O)C[C@@H]2C[C@@H]2C)cc1 ZINC000354002480 387308364 /nfs/dbraw/zinc/30/83/64/387308364.db2.gz NOIWCXOVZGAGOX-JQWIXIFHSA-N 0 0 249.379 3.534 20 0 BHADRN CSCc1ccc(NC(=O)C[C@@H]2C[C@H]2C)cc1 ZINC000354002481 133960317 /nfs/dbraw/zinc/96/03/17/133960317.db2.gz NOIWCXOVZGAGOX-PWSUYJOCSA-N 0 0 249.379 3.534 20 0 BHADRN CSCc1ccc(NC(=O)C[C@H]2C[C@H]2C)cc1 ZINC000354002482 133960391 /nfs/dbraw/zinc/96/03/91/133960391.db2.gz NOIWCXOVZGAGOX-ZYHUDNBSSA-N 0 0 249.379 3.534 20 0 BHADRN CC[C@@H](C)CCC(=O)NCC1(CC)CCC1 ZINC000354010327 387310623 /nfs/dbraw/zinc/31/06/23/387310623.db2.gz NKBAKOPIULXZBE-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@H](C)CCC(=O)NCC1(CC)CCC1 ZINC000354010328 171266723 /nfs/dbraw/zinc/26/67/23/171266723.db2.gz NKBAKOPIULXZBE-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC1(c2nc(-c3ccoc3C)no2)CCC1 ZINC000354023478 168603268 /nfs/dbraw/zinc/60/32/68/168603268.db2.gz CPLBRALYZGHJBZ-UHFFFAOYSA-N 0 0 246.310 3.860 20 0 BHADRN CCC(C)(C)Cc1nc(-c2ccoc2C)no1 ZINC000354023811 168282804 /nfs/dbraw/zinc/28/28/04/168282804.db2.gz GNSNNBQCPZNADG-UHFFFAOYSA-N 0 0 234.299 3.617 20 0 BHADRN Cc1occc1-c1noc(C2(CC(C)C)CC2)n1 ZINC000354023942 387312815 /nfs/dbraw/zinc/31/28/15/387312815.db2.gz IGGPXHJLMOLGGE-UHFFFAOYSA-N 0 0 246.310 3.716 20 0 BHADRN Cc1occc1-c1noc(-c2ccccc2C)n1 ZINC000354024057 179236226 /nfs/dbraw/zinc/23/62/26/179236226.db2.gz JUIFQUCNMHLHTB-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN Cc1occc1-c1noc(-c2ccc(C)cc2)n1 ZINC000354031302 178331091 /nfs/dbraw/zinc/33/10/91/178331091.db2.gz GUNUFTRWDVDDQN-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN C/C=C(/C)c1nc(-c2ccc3c(c2)CCC3)no1 ZINC000354031634 188062399 /nfs/dbraw/zinc/06/23/99/188062399.db2.gz MFEKDLMKVNCQPU-KMKOMSMNSA-N 0 0 240.306 3.649 20 0 BHADRN C/C=C(\C)c1nc(-c2ccc3c(c2)CCC3)no1 ZINC000354031635 387316522 /nfs/dbraw/zinc/31/65/22/387316522.db2.gz MFEKDLMKVNCQPU-XCVCLJGOSA-N 0 0 240.306 3.649 20 0 BHADRN Cc1occc1-c1noc(C[C@H]2CCC[C@@H]2C)n1 ZINC000354031656 180535317 /nfs/dbraw/zinc/53/53/17/180535317.db2.gz MVAMCYHVZSAESB-GXSJLCMTSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1occc1-c1noc(C[C@@H]2CCC[C@H]2C)n1 ZINC000354031657 398037608 /nfs/dbraw/zinc/03/76/08/398037608.db2.gz MVAMCYHVZSAESB-KOLCDFICSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1occc1-c1noc(C[C@H]2CCC[C@H]2C)n1 ZINC000354031658 398037600 /nfs/dbraw/zinc/03/76/00/398037600.db2.gz MVAMCYHVZSAESB-MWLCHTKSSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1occc1-c1noc(C[C@@H]2CCC[C@@H]2C)n1 ZINC000354031659 398037409 /nfs/dbraw/zinc/03/74/09/398037409.db2.gz MVAMCYHVZSAESB-ONGXEEELSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1ccsc1-c1noc(-c2ccsc2)n1 ZINC000354032157 387315491 /nfs/dbraw/zinc/31/54/91/387315491.db2.gz VKTOROHMJDUJQU-UHFFFAOYSA-N 0 0 248.332 3.835 20 0 BHADRN CSC1(CNc2cccc(C3CC3)n2)CCC1 ZINC000354032740 387315852 /nfs/dbraw/zinc/31/58/52/387315852.db2.gz DFBZCQJDFCFBGB-UHFFFAOYSA-N 0 0 248.395 3.657 20 0 BHADRN CC(C)(C)CCNc1cccc(C2CC2)n1 ZINC000354035458 166571677 /nfs/dbraw/zinc/57/16/77/166571677.db2.gz YKRXRINDGAGYIM-UHFFFAOYSA-N 0 0 218.344 3.807 20 0 BHADRN Cc1ccc(-c2nc(-c3sccc3C)no2)o1 ZINC000354041603 178332812 /nfs/dbraw/zinc/33/28/12/178332812.db2.gz BZWJNRJKPHOIJK-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN CC[C@@H](C)CCc1nc(-c2ccoc2C)no1 ZINC000354041672 387318639 /nfs/dbraw/zinc/31/86/39/387318639.db2.gz CNANNJUGPNILPI-SECBINFHSA-N 0 0 234.299 3.617 20 0 BHADRN CC[C@H](C)CCc1nc(-c2ccoc2C)no1 ZINC000354041673 171269344 /nfs/dbraw/zinc/26/93/44/171269344.db2.gz CNANNJUGPNILPI-VIFPVBQESA-N 0 0 234.299 3.617 20 0 BHADRN Cc1occc1-c1noc(CCC2CCCC2)n1 ZINC000354041860 387317453 /nfs/dbraw/zinc/31/74/53/387317453.db2.gz GAPVCZDPAPNTNI-UHFFFAOYSA-N 0 0 246.310 3.761 20 0 BHADRN Cc1occc1-c1noc([C@H]2C[C@]2(C)C(C)C)n1 ZINC000354041927 387318140 /nfs/dbraw/zinc/31/81/40/387318140.db2.gz HHRSWPMUJNCKEB-BXUZGUMPSA-N 0 0 246.310 3.788 20 0 BHADRN Cc1occc1-c1noc([C@@H]2C[C@@]2(C)C(C)C)n1 ZINC000354041928 387317804 /nfs/dbraw/zinc/31/78/04/387317804.db2.gz HHRSWPMUJNCKEB-FZMZJTMJSA-N 0 0 246.310 3.788 20 0 BHADRN Cc1occc1-c1noc([C@H]2C[C@@]2(C)C(C)C)n1 ZINC000354041929 180536183 /nfs/dbraw/zinc/53/61/83/180536183.db2.gz HHRSWPMUJNCKEB-RISCZKNCSA-N 0 0 246.310 3.788 20 0 BHADRN Cc1occc1-c1noc([C@@H]2C[C@]2(C)C(C)C)n1 ZINC000354041930 180535425 /nfs/dbraw/zinc/53/54/25/180535425.db2.gz HHRSWPMUJNCKEB-SMDDNHRTSA-N 0 0 246.310 3.788 20 0 BHADRN Cc1ccsc1-c1nc(-c2ccoc2C)no1 ZINC000354042036 179534811 /nfs/dbraw/zinc/53/48/11/179534811.db2.gz JOZPBFLAOZJCKA-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN Cc1occc1-c1noc(C2C(C)(C)C2(C)C)n1 ZINC000354042891 387320255 /nfs/dbraw/zinc/32/02/55/387320255.db2.gz UBHFMSRPLMGMLN-UHFFFAOYSA-N 0 0 246.310 3.788 20 0 BHADRN Cc1ccoc1-c1nc(-c2sccc2C)no1 ZINC000354043321 179501890 /nfs/dbraw/zinc/50/18/90/179501890.db2.gz ZBWIUHGUAYIWHW-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN CC(C)CCN(c1ccnc(C(C)C)n1)C1CC1 ZINC000354046129 387319664 /nfs/dbraw/zinc/31/96/64/387319664.db2.gz BAYOIPLZOSMOML-UHFFFAOYSA-N 0 0 247.386 3.615 20 0 BHADRN Cc1nc(CCNc2ccc(C)cc2C)cs1 ZINC000354047038 487711200 /nfs/dbraw/zinc/71/12/00/487711200.db2.gz IALHMGIHZWFVOV-UHFFFAOYSA-N 0 0 246.379 3.723 20 0 BHADRN Cc1nc(CCNc2cccc(C)c2C)cs1 ZINC000354047222 385998531 /nfs/dbraw/zinc/99/85/31/385998531.db2.gz JJYHDFVRYMPCAE-UHFFFAOYSA-N 0 0 246.379 3.723 20 0 BHADRN Cc1nc(CCNc2cc(C)ccc2C)cs1 ZINC000354047428 487711046 /nfs/dbraw/zinc/71/10/46/487711046.db2.gz LBVCLQOQLXDUEH-UHFFFAOYSA-N 0 0 246.379 3.723 20 0 BHADRN Cc1occc1-c1noc([C@H](C)CC(C)C)n1 ZINC000354048626 180535419 /nfs/dbraw/zinc/53/54/19/180535419.db2.gz FHSAVJHDBGIKFR-SECBINFHSA-N 0 0 234.299 3.788 20 0 BHADRN Cc1occc1-c1noc([C@@H](C)CC(C)C)n1 ZINC000354048627 487711010 /nfs/dbraw/zinc/71/10/10/487711010.db2.gz FHSAVJHDBGIKFR-VIFPVBQESA-N 0 0 234.299 3.788 20 0 BHADRN Cc1occc1-c1noc(-c2cccc(C)c2)n1 ZINC000354048800 487712048 /nfs/dbraw/zinc/71/20/48/487712048.db2.gz GWENLOIDVUADAC-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN Cc1ccsc1-c1noc(-c2ccoc2C)n1 ZINC000354049001 386018248 /nfs/dbraw/zinc/01/82/48/386018248.db2.gz IXIDAOUTICBIQS-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN C/C=C(/C)c1nc(-c2sccc2C)no1 ZINC000354049224 188235586 /nfs/dbraw/zinc/23/55/86/188235586.db2.gz LBQTVXHWOWUMRX-DAXSKMNVSA-N 0 0 220.297 3.530 20 0 BHADRN CCC[C@H](Nc1cc(C)ncn1)c1ccccc1 ZINC000354049354 487712530 /nfs/dbraw/zinc/71/25/30/487712530.db2.gz UFWIJBAJKFCPKT-AWEZNQCLSA-N 0 0 241.338 3.738 20 0 BHADRN CCC[C@@H](Nc1cc(C)ncn1)c1ccccc1 ZINC000354049355 487712279 /nfs/dbraw/zinc/71/22/79/487712279.db2.gz UFWIJBAJKFCPKT-CQSZACIVSA-N 0 0 241.338 3.738 20 0 BHADRN Cc1occc1-c1noc(CC2(C)CCCC2)n1 ZINC000354049901 487711809 /nfs/dbraw/zinc/71/18/09/487711809.db2.gz SHTXZNWFXOPQJF-UHFFFAOYSA-N 0 0 246.310 3.761 20 0 BHADRN CCN(c1ncnc2sc(C)c(C)c21)C(C)C ZINC000354050191 487712190 /nfs/dbraw/zinc/71/21/90/487712190.db2.gz WYRCLNWYJZUUAW-UHFFFAOYSA-N 0 0 249.383 3.543 20 0 BHADRN Cc1occc1-c1noc(C[C@@H]2CC[C@H](C)C2)n1 ZINC000354050330 487712109 /nfs/dbraw/zinc/71/21/09/487712109.db2.gz WVURQHMOHNCOQC-GXSJLCMTSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1occc1-c1noc(C[C@H]2CC[C@@H](C)C2)n1 ZINC000354050331 180535551 /nfs/dbraw/zinc/53/55/51/180535551.db2.gz WVURQHMOHNCOQC-KOLCDFICSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1occc1-c1noc(C[C@@H]2CC[C@@H](C)C2)n1 ZINC000354050332 487711803 /nfs/dbraw/zinc/71/18/03/487711803.db2.gz WVURQHMOHNCOQC-MWLCHTKSSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1occc1-c1noc(C[C@H]2CC[C@H](C)C2)n1 ZINC000354050333 487711900 /nfs/dbraw/zinc/71/19/00/487711900.db2.gz WVURQHMOHNCOQC-ONGXEEELSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1cc(-c2nc(-c3sccc3C)no2)co1 ZINC000354050513 487712059 /nfs/dbraw/zinc/71/20/59/487712059.db2.gz YJPQQUOMWHIIRO-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN Cc1cscc1-c1nc(-c2ccoc2C)no1 ZINC000354050551 487712151 /nfs/dbraw/zinc/71/21/51/487712151.db2.gz ZITDNZPKINKOKU-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN Cc1occc1-c1noc(CCC(C)(C)C)n1 ZINC000354050566 487711942 /nfs/dbraw/zinc/71/19/42/487711942.db2.gz ZPVFTZPJICTXKJ-UHFFFAOYSA-N 0 0 234.299 3.617 20 0 BHADRN COc1ccccc1[C@H](C)Nc1ncc(C)s1 ZINC000354050585 175352336 /nfs/dbraw/zinc/35/23/36/175352336.db2.gz ZZFBAZZUNTYLCN-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccccc1[C@@H](C)Nc1ncc(C)s1 ZINC000354050586 175346523 /nfs/dbraw/zinc/34/65/23/175346523.db2.gz ZZFBAZZUNTYLCN-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN CCN(c1ncnc2cc(Cl)ccc21)C(C)C ZINC000354051819 487712396 /nfs/dbraw/zinc/71/23/96/487712396.db2.gz IGKPJALEKYMEEH-UHFFFAOYSA-N 0 0 249.745 3.518 20 0 BHADRN Cc1occc1-c1noc(C2=C(C)CCC2)n1 ZINC000354069273 168089134 /nfs/dbraw/zinc/08/91/34/168089134.db2.gz AEZKLRJCKVVBRH-UHFFFAOYSA-N 0 0 230.267 3.595 20 0 BHADRN Cc1ccsc1-c1noc(C2(C)CCC2)n1 ZINC000354069305 387324575 /nfs/dbraw/zinc/32/45/75/387324575.db2.gz BBXQBPKOEWOQMP-UHFFFAOYSA-N 0 0 234.324 3.548 20 0 BHADRN Cc1ccsc1-c1noc(C2=CCCC2)n1 ZINC000354069328 387323886 /nfs/dbraw/zinc/32/38/86/387323886.db2.gz BOJYPRQOFHHWPR-UHFFFAOYSA-N 0 0 232.308 3.674 20 0 BHADRN Cc1ccsc1-c1noc([C@H]2CC2(C)C)n1 ZINC000354069829 387324331 /nfs/dbraw/zinc/32/43/31/387324331.db2.gz NPAOSVKTPYTUIY-MRVPVSSYSA-N 0 0 234.324 3.620 20 0 BHADRN Cc1ccsc1-c1noc([C@@H]2CC2(C)C)n1 ZINC000354069830 387324339 /nfs/dbraw/zinc/32/43/39/387324339.db2.gz NPAOSVKTPYTUIY-QMMMGPOBSA-N 0 0 234.324 3.620 20 0 BHADRN Cc1ccc(-c2nc(-c3ccoc3C)no2)s1 ZINC000354070464 178331477 /nfs/dbraw/zinc/33/14/77/178331477.db2.gz WMXCNIGMGHOQAQ-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN Cc1occc1-c1noc(/C=C\C(C)(C)C)n1 ZINC000354070678 387325468 /nfs/dbraw/zinc/32/54/68/387325468.db2.gz YTRLYCIRRICWDF-ALCCZGGFSA-N 0 0 232.283 3.697 20 0 BHADRN Cc1occc1-c1noc(/C=C/C(C)(C)C)n1 ZINC000354070679 387324418 /nfs/dbraw/zinc/32/44/18/387324418.db2.gz YTRLYCIRRICWDF-FNORWQNLSA-N 0 0 232.283 3.697 20 0 BHADRN CCC(=Cc1nc(-c2ccoc2C)no1)CC ZINC000354070719 168197381 /nfs/dbraw/zinc/19/73/81/168197381.db2.gz ZOYWXQZYNDAITM-UHFFFAOYSA-N 0 0 232.283 3.841 20 0 BHADRN CCc1ccccc1NCCc1csc(C)n1 ZINC000354071363 386137236 /nfs/dbraw/zinc/13/72/36/386137236.db2.gz DCXAMXRKGWKQLZ-UHFFFAOYSA-N 0 0 246.379 3.669 20 0 BHADRN CCc1ccc(NCCc2csc(C)n2)cc1 ZINC000354078930 171821229 /nfs/dbraw/zinc/82/12/29/171821229.db2.gz AFJXYEVUXCOCAP-UHFFFAOYSA-N 0 0 246.379 3.669 20 0 BHADRN Cc1nc(CCNc2cc(C)cc(C)c2)cs1 ZINC000354079117 387328054 /nfs/dbraw/zinc/32/80/54/387328054.db2.gz CGIDNZOTTJLVQH-UHFFFAOYSA-N 0 0 246.379 3.723 20 0 BHADRN Cc1nc(CCNc2c(C)cccc2C)cs1 ZINC000354079891 387327134 /nfs/dbraw/zinc/32/71/34/387327134.db2.gz MPQNORLJHIWJLQ-UHFFFAOYSA-N 0 0 246.379 3.723 20 0 BHADRN CCCC1(CNC(=O)CC[C@H](C)CC)CC1 ZINC000354087823 387328558 /nfs/dbraw/zinc/32/85/58/387328558.db2.gz GWFXRSYTFDDFQI-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC1(CNC(=O)CC[C@@H](C)CC)CC1 ZINC000354087824 387329921 /nfs/dbraw/zinc/32/99/21/387329921.db2.gz GWFXRSYTFDDFQI-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN C[C@H]1CCCCN1C(=O)c1sccc1C1CC1 ZINC000354095526 177073863 /nfs/dbraw/zinc/07/38/63/177073863.db2.gz BXTXWEHFRROXFB-JTQLQIEISA-N 0 0 249.379 3.640 20 0 BHADRN C[C@@H]1CCCCN1C(=O)c1sccc1C1CC1 ZINC000354095527 176069746 /nfs/dbraw/zinc/06/97/46/176069746.db2.gz BXTXWEHFRROXFB-SNVBAGLBSA-N 0 0 249.379 3.640 20 0 BHADRN CC1(Nc2ncnc3cccc(F)c32)CCCC1 ZINC000354099101 168065179 /nfs/dbraw/zinc/06/51/79/168065179.db2.gz NTJILPDTKASRJR-UHFFFAOYSA-N 0 0 245.301 3.514 20 0 BHADRN CC[C@]1(C)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000354100414 387330145 /nfs/dbraw/zinc/33/01/45/387330145.db2.gz MGBUIKTVWSYUFP-GFCCVEGCSA-N 0 0 227.735 3.555 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)c1cc(F)ccc1C ZINC000354118674 356730839 /nfs/dbraw/zinc/73/08/39/356730839.db2.gz XLWKCMLMLVFNAI-CYBMUJFWSA-N 0 0 249.329 3.539 20 0 BHADRN CC[C@H]1CCCCN1C(=O)c1cc(F)ccc1C ZINC000354118678 387331473 /nfs/dbraw/zinc/33/14/73/387331473.db2.gz 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/nfs/dbraw/zinc/37/45/30/387374530.db2.gz IJNFNWXEOHESDC-LLVKDONJSA-N 0 0 249.329 3.541 20 0 BHADRN CC[C@H](C)CCC(=O)N1CCc2cccc(F)c21 ZINC000354423039 171265878 /nfs/dbraw/zinc/26/58/78/171265878.db2.gz IJNFNWXEOHESDC-NSHDSACASA-N 0 0 249.329 3.541 20 0 BHADRN CC[C@H](C)CCC(=O)N1[C@@H](C)CC[C@@H]1CC ZINC000354454326 171265765 /nfs/dbraw/zinc/26/57/65/171265765.db2.gz KYYUXNCDPSPDNF-AVGNSLFASA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H](C)CCC(=O)N1[C@H](CC)CC[C@@H]1C ZINC000354454328 171265489 /nfs/dbraw/zinc/26/54/89/171265489.db2.gz KYYUXNCDPSPDNF-RWMBFGLXSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H](C)CCC(=O)N1[C@H](C)CC[C@@H]1CC ZINC000354454331 171266085 /nfs/dbraw/zinc/26/60/85/171266085.db2.gz KYYUXNCDPSPDNF-XQQFMLRXSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H](C)CCC(=O)N1[C@H](C)CC[C@H]1CC ZINC000354454333 171266097 /nfs/dbraw/zinc/26/60/97/171266097.db2.gz KYYUXNCDPSPDNF-YNEHKIRRSA-N 0 0 225.376 3.602 20 0 BHADRN CCc1cccc(F)c1CNc1ccc(C)nc1 ZINC000354473322 387381322 /nfs/dbraw/zinc/38/13/22/387381322.db2.gz XZLVWMLPCFCFLK-UHFFFAOYSA-N 0 0 244.313 3.704 20 0 BHADRN CC(=O)[C@H](C)SC[C@@H]1CCC[C@@H](C)C1 ZINC000354502582 188235920 /nfs/dbraw/zinc/23/59/20/188235920.db2.gz HDPWVUSLQPRJJU-ADEWGFFLSA-N 0 0 214.374 3.523 20 0 BHADRN CC(=O)[C@H](C)SC[C@H]1CCC[C@H](C)C1 ZINC000354502595 187210156 /nfs/dbraw/zinc/21/01/56/187210156.db2.gz HDPWVUSLQPRJJU-DLOVCJGASA-N 0 0 214.374 3.523 20 0 BHADRN CC(=O)[C@H](C)SC[C@H]1CCC[C@@H](C)C1 ZINC000354502597 387385952 /nfs/dbraw/zinc/38/59/52/387385952.db2.gz HDPWVUSLQPRJJU-USWWRNFRSA-N 0 0 214.374 3.523 20 0 BHADRN CC(=O)[C@H](C)SC[C@@H]1CCC[C@H](C)C1 ZINC000354502600 188235581 /nfs/dbraw/zinc/23/55/81/188235581.db2.gz HDPWVUSLQPRJJU-ZMLRMANQSA-N 0 0 214.374 3.523 20 0 BHADRN CC(C)(C)C1CCC(Cn2ccnc2)CC1 ZINC000354510744 387387562 /nfs/dbraw/zinc/38/75/62/387387562.db2.gz QFGZPEMICAJLFL-UHFFFAOYSA-N 0 0 220.360 3.736 20 0 BHADRN Fc1cccc(SCCc2cccnc2)c1 ZINC000354514525 187210756 /nfs/dbraw/zinc/21/07/56/187210756.db2.gz WSECTHDBGZVZIA-UHFFFAOYSA-N 0 0 233.311 3.556 20 0 BHADRN CC(=O)[C@@H](C)SC[C@@H]1CCc2ccccc2C1 ZINC000354515103 187210625 /nfs/dbraw/zinc/21/06/25/187210625.db2.gz ZHPGGYUJGIBBHN-CHWSQXEVSA-N 0 0 248.391 3.502 20 0 BHADRN CC(=O)[C@@H](C)SC[C@H]1CCc2ccccc2C1 ZINC000354515116 397962720 /nfs/dbraw/zinc/96/27/20/397962720.db2.gz ZHPGGYUJGIBBHN-OLZOCXBDSA-N 0 0 248.391 3.502 20 0 BHADRN CC(=O)[C@H](C)SC[C@@H]1CCc2ccccc2C1 ZINC000354515120 397962641 /nfs/dbraw/zinc/96/26/41/397962641.db2.gz ZHPGGYUJGIBBHN-QWHCGFSZSA-N 0 0 248.391 3.502 20 0 BHADRN CC(=O)[C@H](C)SC[C@H]1CCc2ccccc2C1 ZINC000354515126 397962420 /nfs/dbraw/zinc/96/24/20/397962420.db2.gz ZHPGGYUJGIBBHN-STQMWFEESA-N 0 0 248.391 3.502 20 0 BHADRN Cc1cc(CN2CCC[C@@H]2CF)ccc1Cl ZINC000354520018 387386683 /nfs/dbraw/zinc/38/66/83/387386683.db2.gz IWESMRQBFCBZLR-GFCCVEGCSA-N 0 0 241.737 3.582 20 0 BHADRN Cc1cc(CN2CCC[C@H]2CF)ccc1Cl ZINC000354520019 387388000 /nfs/dbraw/zinc/38/80/00/387388000.db2.gz IWESMRQBFCBZLR-LBPRGKRZSA-N 0 0 241.737 3.582 20 0 BHADRN Cc1ccc(CN2CCC[C@@H]2CF)cc1Cl ZINC000354522858 387389965 /nfs/dbraw/zinc/38/99/65/387389965.db2.gz SPNHYGRWSMDLJA-GFCCVEGCSA-N 0 0 241.737 3.582 20 0 BHADRN Cc1ccc(CN2CCC[C@H]2CF)cc1Cl ZINC000354522860 387389177 /nfs/dbraw/zinc/38/91/77/387389177.db2.gz SPNHYGRWSMDLJA-LBPRGKRZSA-N 0 0 241.737 3.582 20 0 BHADRN C[C@@H]1CCN(c2nccc3ccc(F)cc32)[C@@H]1C ZINC000354535758 176182184 /nfs/dbraw/zinc/18/21/84/176182184.db2.gz GDBJUONHWQHHGB-GHMZBOCLSA-N 0 0 244.313 3.609 20 0 BHADRN C[C@@H]1CCN(c2nccc3ccc(F)cc32)[C@H]1C ZINC000354535759 387391526 /nfs/dbraw/zinc/39/15/26/387391526.db2.gz GDBJUONHWQHHGB-MNOVXSKESA-N 0 0 244.313 3.609 20 0 BHADRN C[C@H]1CCN(c2nccc3ccc(F)cc32)[C@H]1C ZINC000354535760 177172688 /nfs/dbraw/zinc/17/26/88/177172688.db2.gz GDBJUONHWQHHGB-QWRGUYRKSA-N 0 0 244.313 3.609 20 0 BHADRN C[C@@H]1[C@@H](C)CCN1c1nccc2ccc(F)cc21 ZINC000354535761 177172577 /nfs/dbraw/zinc/17/25/77/177172577.db2.gz GDBJUONHWQHHGB-WDEREUQCSA-N 0 0 244.313 3.609 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CC[C@@H]1C(C)C ZINC000354536444 387391263 /nfs/dbraw/zinc/39/12/63/387391263.db2.gz IPVSZWRXVCNTJR-CYBMUJFWSA-N 0 0 249.354 3.582 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)N1CC[C@H]1C(C)C ZINC000354536445 387391818 /nfs/dbraw/zinc/39/18/18/387391818.db2.gz IPVSZWRXVCNTJR-ZDUSSCGKSA-N 0 0 249.354 3.582 20 0 BHADRN Cc1cccc(C(C)C)c1NCC1CCOCC1 ZINC000354537195 385637729 /nfs/dbraw/zinc/63/77/29/385637729.db2.gz NVZAQBHIECLDHJ-UHFFFAOYSA-N 0 0 247.382 3.957 20 0 BHADRN CC1(CNc2nccc3ccc(F)cc32)CC1 ZINC000354541178 168050229 /nfs/dbraw/zinc/05/02/29/168050229.db2.gz OZERHGWVGJLLCI-UHFFFAOYSA-N 0 0 230.286 3.586 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CCC(C)(C)CC1 ZINC000354541690 179030949 /nfs/dbraw/zinc/03/09/49/179030949.db2.gz VZLZAJQFXLFRFQ-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN CC[C@@H]1CCN(c2nccc3ccc(F)cc32)C1 ZINC000354549905 171015799 /nfs/dbraw/zinc/01/57/99/171015799.db2.gz XOYBDUPCWMHPTO-LLVKDONJSA-N 0 0 244.313 3.610 20 0 BHADRN CC[C@H]1CCN(c2nccc3ccc(F)cc32)C1 ZINC000354549907 387393899 /nfs/dbraw/zinc/39/38/99/387393899.db2.gz XOYBDUPCWMHPTO-NSHDSACASA-N 0 0 244.313 3.610 20 0 BHADRN Fc1ccc2ccnc(NCC3CCC3)c2c1 ZINC000354556295 387393460 /nfs/dbraw/zinc/39/34/60/387393460.db2.gz CEQNFVBVFYQQSS-UHFFFAOYSA-N 0 0 230.286 3.586 20 0 BHADRN c1cc(N[C@H]2CC[C@@H]2C2CC2)ncc1C1CCC1 ZINC000354556795 183358359 /nfs/dbraw/zinc/35/83/59/183358359.db2.gz BZIMXFOUQRBCKV-CABCVRRESA-N 0 0 242.366 3.950 20 0 BHADRN c1cc(N[C@H]2CC[C@H]2C2CC2)ncc1C1CCC1 ZINC000354556797 183358859 /nfs/dbraw/zinc/35/88/59/183358859.db2.gz BZIMXFOUQRBCKV-GJZGRUSLSA-N 0 0 242.366 3.950 20 0 BHADRN c1cc(N[C@@H]2CC[C@@H]2C2CC2)ncc1C1CCC1 ZINC000354556799 183358721 /nfs/dbraw/zinc/35/87/21/183358721.db2.gz BZIMXFOUQRBCKV-HUUCEWRRSA-N 0 0 242.366 3.950 20 0 BHADRN c1cc(N[C@@H]2CC[C@H]2C2CC2)ncc1C1CCC1 ZINC000354557177 183359258 /nfs/dbraw/zinc/35/92/58/183359258.db2.gz BZIMXFOUQRBCKV-LSDHHAIUSA-N 0 0 242.366 3.950 20 0 BHADRN C[C@H](CC1CC1)Nc1ccc(C2CCC2)cn1 ZINC000354557246 176614385 /nfs/dbraw/zinc/61/43/85/176614385.db2.gz CZGNWNBAPYMTRY-LLVKDONJSA-N 0 0 230.355 3.950 20 0 BHADRN C[C@@H](CC1CC1)Nc1ccc(C2CCC2)cn1 ZINC000354557247 387394249 /nfs/dbraw/zinc/39/42/49/387394249.db2.gz CZGNWNBAPYMTRY-NSHDSACASA-N 0 0 230.355 3.950 20 0 BHADRN CSC1(CNc2ccc(C3CCC3)cn2)CC1 ZINC000354557260 387394226 /nfs/dbraw/zinc/39/42/26/387394226.db2.gz DIEKEZCPYDEKOW-UHFFFAOYSA-N 0 0 248.395 3.657 20 0 BHADRN CC1(C)C[C@H]1Nc1nccc2ccc(F)cc21 ZINC000354557763 187210718 /nfs/dbraw/zinc/21/07/18/187210718.db2.gz BHRSXAPCOGJNLK-GFCCVEGCSA-N 0 0 230.286 3.584 20 0 BHADRN CC1(C)C[C@@H]1Nc1nccc2ccc(F)cc21 ZINC000354557764 356740789 /nfs/dbraw/zinc/74/07/89/356740789.db2.gz BHRSXAPCOGJNLK-LBPRGKRZSA-N 0 0 230.286 3.584 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(C2CCC2)cn1 ZINC000354557872 167385987 /nfs/dbraw/zinc/38/59/87/167385987.db2.gz GCHHOQRQAHCZCV-LLVKDONJSA-N 0 0 218.344 3.806 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(C2CCC2)cn1 ZINC000354557874 387394562 /nfs/dbraw/zinc/39/45/62/387394562.db2.gz GCHHOQRQAHCZCV-NSHDSACASA-N 0 0 218.344 3.806 20 0 BHADRN CC(C)(C)CNc1nccc2ccc(F)cc21 ZINC000354560474 387396391 /nfs/dbraw/zinc/39/63/91/387396391.db2.gz MUZZCRXIVJTABJ-UHFFFAOYSA-N 0 0 232.302 3.832 20 0 BHADRN CC1CC(Nc2ccc(C3CCC3)cn2)C1 ZINC000354561056 168148044 /nfs/dbraw/zinc/14/80/44/168148044.db2.gz MXAYFVBKVUXUJI-UHFFFAOYSA-N 0 0 216.328 3.560 20 0 BHADRN C[C@@H](Nc1ccc(C2CCC2)cn1)C1CCC1 ZINC000354562042 387396502 /nfs/dbraw/zinc/39/65/02/387396502.db2.gz OPMSKOKHVIZBPY-LLVKDONJSA-N 0 0 230.355 3.950 20 0 BHADRN C[C@H](Nc1ccc(C2CCC2)cn1)C1CCC1 ZINC000354562044 387395649 /nfs/dbraw/zinc/39/56/49/387395649.db2.gz OPMSKOKHVIZBPY-NSHDSACASA-N 0 0 230.355 3.950 20 0 BHADRN C[C@@H]1CCCCN1c1nccc2ccc(F)cc21 ZINC000354574352 132269742 /nfs/dbraw/zinc/26/97/42/132269742.db2.gz VUSMJPHZWARUCS-LLVKDONJSA-N 0 0 244.313 3.753 20 0 BHADRN C[C@H]1CCCCN1c1nccc2ccc(F)cc21 ZINC000354574353 385681368 /nfs/dbraw/zinc/68/13/68/385681368.db2.gz VUSMJPHZWARUCS-NSHDSACASA-N 0 0 244.313 3.753 20 0 BHADRN C[C@@H](Nc1nccc2ccc(F)cc21)C1CC1 ZINC000354574927 387397569 /nfs/dbraw/zinc/39/75/69/387397569.db2.gz WNWSQYRVEIUHCT-SECBINFHSA-N 0 0 230.286 3.584 20 0 BHADRN C[C@H](Nc1nccc2ccc(F)cc21)C1CC1 ZINC000354574932 176939447 /nfs/dbraw/zinc/93/94/47/176939447.db2.gz WNWSQYRVEIUHCT-VIFPVBQESA-N 0 0 230.286 3.584 20 0 BHADRN Fc1ccc2ccnc(NCc3ccoc3)c2c1 ZINC000354584442 387400174 /nfs/dbraw/zinc/40/01/74/387400174.db2.gz VLNQLFRSJGCBHJ-UHFFFAOYSA-N 0 0 242.253 3.579 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(C)n1 ZINC000354591785 356741400 /nfs/dbraw/zinc/74/14/00/356741400.db2.gz CPJBZQYJOUREBT-CHWSQXEVSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C)n1 ZINC000354591786 356741501 /nfs/dbraw/zinc/74/15/01/356741501.db2.gz CPJBZQYJOUREBT-OLZOCXBDSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(C)n1 ZINC000354591787 171611574 /nfs/dbraw/zinc/61/15/74/171611574.db2.gz CPJBZQYJOUREBT-QWHCGFSZSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C)n1 ZINC000354591788 188062898 /nfs/dbraw/zinc/06/28/98/188062898.db2.gz CPJBZQYJOUREBT-STQMWFEESA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1cccc(C)n1 ZINC000354593446 387401270 /nfs/dbraw/zinc/40/12/70/387401270.db2.gz FGXCVOGNRRSWSF-AWEZNQCLSA-N 0 0 234.343 3.545 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1cccc(C)n1 ZINC000354593450 387401264 /nfs/dbraw/zinc/40/12/64/387401264.db2.gz FGXCVOGNRRSWSF-CQSZACIVSA-N 0 0 234.343 3.545 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)NCc1cscn1 ZINC000354630748 179049377 /nfs/dbraw/zinc/04/93/77/179049377.db2.gz CYUOCQDLNWLGTP-GFCCVEGCSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1cccc(C)c1[C@H](C)NCc1cscn1 ZINC000354631832 179049694 /nfs/dbraw/zinc/04/96/94/179049694.db2.gz CYUOCQDLNWLGTP-LBPRGKRZSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1ccc(C)c(N(C)Cc2cnccc2C)c1 ZINC000354634340 387407476 /nfs/dbraw/zinc/40/74/76/387407476.db2.gz JIZNBWUFTVFDBN-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1cc(C)c(NC[C@H]2CCO[C@H](C)C2)c(C)c1 ZINC000354644513 387408315 /nfs/dbraw/zinc/40/83/15/387408315.db2.gz QYJYWOTWHVGKSA-CABCVRRESA-N 0 0 247.382 3.839 20 0 BHADRN Cc1cc(C)c(NC[C@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000354644543 387409702 /nfs/dbraw/zinc/40/97/02/387409702.db2.gz QYJYWOTWHVGKSA-GJZGRUSLSA-N 0 0 247.382 3.839 20 0 BHADRN Cc1cc(C)c(NC[C@@H]2CCO[C@H](C)C2)c(C)c1 ZINC000354644545 387408373 /nfs/dbraw/zinc/40/83/73/387408373.db2.gz QYJYWOTWHVGKSA-HUUCEWRRSA-N 0 0 247.382 3.839 20 0 BHADRN Cc1cc(C)c(NC[C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000354644548 385610370 /nfs/dbraw/zinc/61/03/70/385610370.db2.gz QYJYWOTWHVGKSA-LSDHHAIUSA-N 0 0 247.382 3.839 20 0 BHADRN Cc1cccc(C)c1NC[C@H]1CCO[C@@H](C)C1 ZINC000354647142 179043083 /nfs/dbraw/zinc/04/30/83/179043083.db2.gz UETIAWMIQNQHDZ-KBPBESRZSA-N 0 0 233.355 3.530 20 0 BHADRN Cc1cccc(C)c1NC[C@H]1CCO[C@H](C)C1 ZINC000354647143 179043722 /nfs/dbraw/zinc/04/37/22/179043722.db2.gz UETIAWMIQNQHDZ-KGLIPLIRSA-N 0 0 233.355 3.530 20 0 BHADRN Cc1cccc(C)c1NC[C@@H]1CCO[C@@H](C)C1 ZINC000354647144 179044319 /nfs/dbraw/zinc/04/43/19/179044319.db2.gz UETIAWMIQNQHDZ-UONOGXRCSA-N 0 0 233.355 3.530 20 0 BHADRN Cc1cccc(C)c1NC[C@@H]1CCO[C@H](C)C1 ZINC000354647145 179043294 /nfs/dbraw/zinc/04/32/94/179043294.db2.gz UETIAWMIQNQHDZ-ZIAGYGMSSA-N 0 0 233.355 3.530 20 0 BHADRN Cc1cc(C)cc(N(C)Cc2cnccc2C)c1 ZINC000354648360 385614617 /nfs/dbraw/zinc/61/46/17/385614617.db2.gz LUPCUUMYFYRHLC-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)NCc1nccs1 ZINC000354653930 179049884 /nfs/dbraw/zinc/04/98/84/179049884.db2.gz NYPPUBBXLHNGGT-GFCCVEGCSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1cccc(C)c1[C@H](C)NCc1nccs1 ZINC000354653932 179049912 /nfs/dbraw/zinc/04/99/12/179049912.db2.gz NYPPUBBXLHNGGT-LBPRGKRZSA-N 0 0 246.379 3.611 20 0 BHADRN Cc1ccncc1CN1C[C@@H](C)c2ccccc21 ZINC000354653953 387411318 /nfs/dbraw/zinc/41/13/18/387411318.db2.gz UCLRLJPELCKKEB-CYBMUJFWSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1ccncc1CN1C[C@H](C)c2ccccc21 ZINC000354653955 387410947 /nfs/dbraw/zinc/41/09/47/387410947.db2.gz UCLRLJPELCKKEB-ZDUSSCGKSA-N 0 0 238.334 3.514 20 0 BHADRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)C[C@H]2C=CCCC2)C1 ZINC000354669065 177310954 /nfs/dbraw/zinc/31/09/54/177310954.db2.gz ULRSTBFBIJVHAG-BARDWOONSA-N 0 0 249.398 3.626 20 0 BHADRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000354669066 177310204 /nfs/dbraw/zinc/31/02/04/177310204.db2.gz ULRSTBFBIJVHAG-CBBWQLFWSA-N 0 0 249.398 3.626 20 0 BHADRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000354669067 177310709 /nfs/dbraw/zinc/31/07/09/177310709.db2.gz ULRSTBFBIJVHAG-LXTVHRRPSA-N 0 0 249.398 3.626 20 0 BHADRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)C[C@H]2C=CCCC2)C1 ZINC000354669068 177311567 /nfs/dbraw/zinc/31/15/67/177311567.db2.gz ULRSTBFBIJVHAG-QPSCCSFWSA-N 0 0 249.398 3.626 20 0 BHADRN CC1(C)C[C@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000354681940 387414834 /nfs/dbraw/zinc/41/48/34/387414834.db2.gz ZTNXAPXOGYUFPC-CYBMUJFWSA-N 0 0 230.286 3.584 20 0 BHADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc1 ZINC000354699163 387417365 /nfs/dbraw/zinc/41/73/65/387417365.db2.gz FLUPQIUFJNNKTP-HZSPNIEDSA-N 0 0 245.366 3.502 20 0 BHADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1 ZINC000354699167 387416097 /nfs/dbraw/zinc/41/60/97/387416097.db2.gz FLUPQIUFJNNKTP-MCIONIFRSA-N 0 0 245.366 3.502 20 0 BHADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)cc1 ZINC000354699169 178399363 /nfs/dbraw/zinc/39/93/63/178399363.db2.gz FLUPQIUFJNNKTP-MGPQQGTHSA-N 0 0 245.366 3.502 20 0 BHADRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc1 ZINC000354699171 178399725 /nfs/dbraw/zinc/39/97/25/178399725.db2.gz FLUPQIUFJNNKTP-RDBSUJKOSA-N 0 0 245.366 3.502 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1nc(C)cs1 ZINC000354699311 387417654 /nfs/dbraw/zinc/41/76/54/387417654.db2.gz CMHMARAKEGFJIB-GFCCVEGCSA-N 0 0 240.372 3.606 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1nc(C)cs1 ZINC000354699312 387417149 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GTZKJFVYHMBPFB-UHFFFAOYSA-N 0 0 242.303 3.829 20 0 BHADRN CCC1(CC)CN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000355866834 387586047 /nfs/dbraw/zinc/58/60/47/387586047.db2.gz RFGQJLLOWCQMHJ-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1cc(F)cc(-c2noc(C3CC=CC3)n2)c1 ZINC000355867073 178075778 /nfs/dbraw/zinc/07/57/78/178075778.db2.gz SIAPBCCPNYGEHO-UHFFFAOYSA-N 0 0 244.269 3.618 20 0 BHADRN Cc1cc(F)cc(-c2noc([C@H]3CC3(C)C)n2)c1 ZINC000355867075 178075843 /nfs/dbraw/zinc/07/58/43/178075843.db2.gz SIOSUJPVFLWEDQ-LLVKDONJSA-N 0 0 246.285 3.698 20 0 BHADRN Cc1cc(F)cc(-c2noc([C@@H]3CC3(C)C)n2)c1 ZINC000355867076 178075598 /nfs/dbraw/zinc/07/55/98/178075598.db2.gz SIOSUJPVFLWEDQ-NSHDSACASA-N 0 0 246.285 3.698 20 0 BHADRN Cc1ccc(/C=C\Cc2nc(C3CC3)no2)cc1 ZINC000355870744 178357143 /nfs/dbraw/zinc/35/71/43/178357143.db2.gz SRCPHLDQVJHYKB-IHWYPQMZSA-N 0 0 240.306 3.511 20 0 BHADRN Cc1ccc(/C=C/Cc2nc(C3CC3)no2)cc1 ZINC000355870745 488113045 /nfs/dbraw/zinc/11/30/45/488113045.db2.gz SRCPHLDQVJHYKB-NSCUHMNNSA-N 0 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ZINC000355878821 178124687 /nfs/dbraw/zinc/12/46/87/178124687.db2.gz JTXPYJKLNRCWCE-UHFFFAOYSA-N 0 0 229.323 3.611 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000355878830 171254566 /nfs/dbraw/zinc/25/45/66/171254566.db2.gz KDELDLLSCDYMMN-JTQLQIEISA-N 0 0 231.339 3.857 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000355878831 387588350 /nfs/dbraw/zinc/58/83/50/387588350.db2.gz KDELDLLSCDYMMN-SNVBAGLBSA-N 0 0 231.339 3.857 20 0 BHADRN Cc1cc(F)cc(-c2noc(C3=CCCC3)n2)c1 ZINC000355882449 178075688 /nfs/dbraw/zinc/07/56/88/178075688.db2.gz NKGWNESNLVICDP-UHFFFAOYSA-N 0 0 244.269 3.751 20 0 BHADRN CC[C@@H](C)c1cc(-c2nc([C@@H](C)CC)no2)on1 ZINC000355885727 387589277 /nfs/dbraw/zinc/58/92/77/387589277.db2.gz HNZVAJUPPDNCAW-BDAKNGLRSA-N 0 0 249.314 3.752 20 0 BHADRN CC[C@@H](C)c1noc(-c2cc([C@@H](C)CC)no2)n1 ZINC000355885729 387589968 /nfs/dbraw/zinc/58/99/68/387589968.db2.gz HNZVAJUPPDNCAW-DTWKUNHWSA-N 0 0 249.314 3.752 20 0 BHADRN CC[C@H](C)c1cc(-c2nc([C@@H](C)CC)no2)on1 ZINC000355885732 387589998 /nfs/dbraw/zinc/58/99/98/387589998.db2.gz HNZVAJUPPDNCAW-IUCAKERBSA-N 0 0 249.314 3.752 20 0 BHADRN CC[C@@H](C)c1cc(-c2nc([C@H](C)CC)no2)on1 ZINC000355885736 387589143 /nfs/dbraw/zinc/58/91/43/387589143.db2.gz HNZVAJUPPDNCAW-RKDXNWHRSA-N 0 0 249.314 3.752 20 0 BHADRN CC(C)c1nc([C@@H]2CCCc3ccccc32)no1 ZINC000355886718 167673887 /nfs/dbraw/zinc/67/38/87/167673887.db2.gz IIYVNRLAFLGDAA-CYBMUJFWSA-N 0 0 242.322 3.661 20 0 BHADRN CC(C)c1nc([C@H]2CCCc3ccccc32)no1 ZINC000355886721 387591593 /nfs/dbraw/zinc/59/15/93/387591593.db2.gz IIYVNRLAFLGDAA-ZDUSSCGKSA-N 0 0 242.322 3.661 20 0 BHADRN Cc1cc(NC(=O)[C@@H]2CC2(C)C)ccc1C1CC1 ZINC000355886825 178143205 /nfs/dbraw/zinc/14/32/05/178143205.db2.gz ZATJKQOKBQUZRS-AWEZNQCLSA-N 0 0 243.350 3.857 20 0 BHADRN Cc1cc(NC(=O)[C@H]2CC2(C)C)ccc1C1CC1 ZINC000355886827 178147776 /nfs/dbraw/zinc/14/77/76/178147776.db2.gz ZATJKQOKBQUZRS-CQSZACIVSA-N 0 0 243.350 3.857 20 0 BHADRN Cc1cc(NC(=O)C2CC=CC2)ccc1C1CC1 ZINC000355887503 178125987 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PSGKXXAEEJOZDK-FCZSHJHJSA-N 0 0 232.283 3.655 20 0 BHADRN CC[C@H](C)c1noc(/C=C/c2ccc(C)o2)n1 ZINC000355894647 385796007 /nfs/dbraw/zinc/79/60/07/385796007.db2.gz PSGKXXAEEJOZDK-FLOXNTQESA-N 0 0 232.283 3.655 20 0 BHADRN CC[C@H](C)c1noc(/C=C\c2ccc(C)o2)n1 ZINC000355894650 385796687 /nfs/dbraw/zinc/79/66/87/385796687.db2.gz PSGKXXAEEJOZDK-FUOZMLNRSA-N 0 0 232.283 3.655 20 0 BHADRN CC[C@@H](C)c1noc(/C=C\c2ccc(C)o2)n1 ZINC000355894651 170808324 /nfs/dbraw/zinc/80/83/24/170808324.db2.gz PSGKXXAEEJOZDK-UFGYOYAJSA-N 0 0 232.283 3.655 20 0 BHADRN CC1=C(c2nc(CCC(F)(F)F)no2)CCC1 ZINC000355897393 168090188 /nfs/dbraw/zinc/09/01/88/168090188.db2.gz IMKINFZWWJPAGT-UHFFFAOYSA-N 0 0 246.232 3.522 20 0 BHADRN FC(F)(F)CCCc1nc(C2CCCC2)no1 ZINC000355898113 387592728 /nfs/dbraw/zinc/59/27/28/387592728.db2.gz FUXAFDCIRPSFQU-UHFFFAOYSA-N 0 0 248.248 3.612 20 0 BHADRN CCCC(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000355908316 387594196 /nfs/dbraw/zinc/59/41/96/387594196.db2.gz DATJKHGFKRMXCK-UHFFFAOYSA-N 0 0 217.312 3.611 20 0 BHADRN CC[C@@]1(C)CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000355919068 171198546 /nfs/dbraw/zinc/19/85/46/171198546.db2.gz WRTSWYRMEAUHMX-HIFRSBDPSA-N 0 0 232.371 3.655 20 0 BHADRN CC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000355919070 171199566 /nfs/dbraw/zinc/19/95/66/171199566.db2.gz WRTSWYRMEAUHMX-ZFWWWQNUSA-N 0 0 232.371 3.655 20 0 BHADRN Cc1cc(NC(=O)c2ccoc2)ccc1C1CC1 ZINC000355927433 178151902 /nfs/dbraw/zinc/15/19/02/178151902.db2.gz IGQDBWOAZICFOO-UHFFFAOYSA-N 0 0 241.290 3.718 20 0 BHADRN C[C@H](CSCC(=O)C1(C)CC1)c1ccccc1 ZINC000355930380 136266034 /nfs/dbraw/zinc/26/60/34/136266034.db2.gz ARODLIFNNXFEBT-GFCCVEGCSA-N 0 0 248.391 3.893 20 0 BHADRN C[C@@H](CSCC(=O)C1(C)CC1)c1ccccc1 ZINC000355930389 136266011 /nfs/dbraw/zinc/26/60/11/136266011.db2.gz ARODLIFNNXFEBT-LBPRGKRZSA-N 0 0 248.391 3.893 20 0 BHADRN Cc1cc(NC(=O)[C@H](C)C2CC2)ccc1C1CC1 ZINC000355931100 136266095 /nfs/dbraw/zinc/26/60/95/136266095.db2.gz KJSDNGYULZIQMY-LLVKDONJSA-N 0 0 243.350 3.857 20 0 BHADRN 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CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C)nc1 ZINC000356462370 342697680 /nfs/dbraw/zinc/69/76/80/342697680.db2.gz QDFPBLCJWLBQFU-OCCSQVGLSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C)nc1 ZINC000356462371 170968833 /nfs/dbraw/zinc/96/88/33/170968833.db2.gz QDFPBLCJWLBQFU-TZMCWYRMSA-N 0 0 246.354 3.545 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1ccc(C)nc1 ZINC000356465968 387661654 /nfs/dbraw/zinc/66/16/54/387661654.db2.gz WQKADXQFYNFAAD-AWEZNQCLSA-N 0 0 234.343 3.545 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1ccc(C)nc1 ZINC000356465970 169447593 /nfs/dbraw/zinc/44/75/93/169447593.db2.gz WQKADXQFYNFAAD-CQSZACIVSA-N 0 0 234.343 3.545 20 0 BHADRN O=C(Nc1ccsc1)Nc1cccc(F)c1 ZINC000356483958 182389815 /nfs/dbraw/zinc/38/98/15/182389815.db2.gz GSXAWGDJXVFDHZ-UHFFFAOYSA-N 0 0 236.271 3.531 20 0 BHADRN CC[C@H]1CCCC[C@H]1Nc1ccc(C(C)=O)cn1 ZINC000356487908 384151827 /nfs/dbraw/zinc/15/18/27/384151827.db2.gz VDQGQPPVOBTPAG-GXTWGEPZSA-N 0 0 246.354 3.665 20 0 BHADRN CC[C@H]1CCCC[C@@H]1Nc1ccc(C(C)=O)cn1 ZINC000356487910 171610826 /nfs/dbraw/zinc/61/08/26/171610826.db2.gz VDQGQPPVOBTPAG-JSGCOSHPSA-N 0 0 246.354 3.665 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1Nc1ccc(C(C)=O)cn1 ZINC000356487914 342776499 /nfs/dbraw/zinc/77/64/99/342776499.db2.gz VDQGQPPVOBTPAG-OCCSQVGLSA-N 0 0 246.354 3.665 20 0 BHADRN CC[C@@H]1CCCC[C@H]1Nc1ccc(C(C)=O)cn1 ZINC000356487918 342776441 /nfs/dbraw/zinc/77/64/41/342776441.db2.gz VDQGQPPVOBTPAG-TZMCWYRMSA-N 0 0 246.354 3.665 20 0 BHADRN C1=CCC(c2nc(CC3CCCCC3)no2)C1 ZINC000356490469 188420947 /nfs/dbraw/zinc/42/09/47/188420947.db2.gz BQXUPUZZJLZSFN-UHFFFAOYSA-N 0 0 232.327 3.626 20 0 BHADRN Cc1cccc(NC(=O)Nc2ccsc2)c1 ZINC000356492854 179137137 /nfs/dbraw/zinc/13/71/37/179137137.db2.gz WBXFVGSNNPGGSF-UHFFFAOYSA-N 0 0 232.308 3.701 20 0 BHADRN O=C(Nc1ccsc1)Nc1ccc(F)cc1 ZINC000356493230 182355159 /nfs/dbraw/zinc/35/51/59/182355159.db2.gz XFPOIIMPPDSZPJ-UHFFFAOYSA-N 0 0 236.271 3.531 20 0 BHADRN Cc1ccc([C@@H](C)c2noc(C3(C)CC3)n2)cc1 ZINC000356495723 178852396 /nfs/dbraw/zinc/85/23/96/178852396.db2.gz MDGKEYDLRNOGLV-LLVKDONJSA-N 0 0 242.322 3.581 20 0 BHADRN Cc1ccc([C@H](C)c2noc(C3(C)CC3)n2)cc1 ZINC000356495724 387666073 /nfs/dbraw/zinc/66/60/73/387666073.db2.gz MDGKEYDLRNOGLV-NSHDSACASA-N 0 0 242.322 3.581 20 0 BHADRN CC1(C)C[C@@H]1c1nc(CC2CCCCC2)no1 ZINC000356497364 356797838 /nfs/dbraw/zinc/79/78/38/356797838.db2.gz PQPUFTHTVVXCBS-LLVKDONJSA-N 0 0 234.343 3.706 20 0 BHADRN CC1(C)C[C@H]1c1nc(CC2CCCCC2)no1 ZINC000356497365 387666121 /nfs/dbraw/zinc/66/61/21/387666121.db2.gz PQPUFTHTVVXCBS-NSHDSACASA-N 0 0 234.343 3.706 20 0 BHADRN Cc1ccc([C@@H](C)c2noc(C(C)C)n2)cc1 ZINC000356498346 387665137 /nfs/dbraw/zinc/66/51/37/387665137.db2.gz KJZONNOCTBCANW-LLVKDONJSA-N 0 0 230.311 3.653 20 0 BHADRN Cc1ccc([C@H](C)c2noc(C(C)C)n2)cc1 ZINC000356498347 178902079 /nfs/dbraw/zinc/90/20/79/178902079.db2.gz KJZONNOCTBCANW-NSHDSACASA-N 0 0 230.311 3.653 20 0 BHADRN Cc1occc1-c1nc(CC2CCCCC2)no1 ZINC000356500235 387664962 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/nfs/dbraw/zinc/66/54/08/387665408.db2.gz COMLNLYOJKHBRX-UHFFFAOYSA-N 0 0 249.697 3.748 20 0 BHADRN CS[C@H](C)c1nc(CC2CCCCC2)no1 ZINC000356503560 387666293 /nfs/dbraw/zinc/66/62/93/387666293.db2.gz YPTWKXHTMJVLFJ-SECBINFHSA-N 0 0 240.372 3.616 20 0 BHADRN CS[C@@H](C)c1nc(CC2CCCCC2)no1 ZINC000356503562 387665002 /nfs/dbraw/zinc/66/50/02/387665002.db2.gz YPTWKXHTMJVLFJ-VIFPVBQESA-N 0 0 240.372 3.616 20 0 BHADRN Cc1cc(F)ccc1-c1noc([C@H]2CC2(C)C)n1 ZINC000356505770 178080633 /nfs/dbraw/zinc/08/06/33/178080633.db2.gz NFIVTAWMOUSNEX-LLVKDONJSA-N 0 0 246.285 3.698 20 0 BHADRN Cc1cc(F)ccc1-c1noc([C@@H]2CC2(C)C)n1 ZINC000356505772 178080340 /nfs/dbraw/zinc/08/03/40/178080340.db2.gz NFIVTAWMOUSNEX-NSHDSACASA-N 0 0 246.285 3.698 20 0 BHADRN CCC(CC)c1noc(/C=C\c2cccnc2)n1 ZINC000356515853 387667748 /nfs/dbraw/zinc/66/77/48/387667748.db2.gz ALRMKOFSLHGFKL-FPLPWBNLSA-N 0 0 243.310 3.539 20 0 BHADRN CCC(CC)c1noc([C@@H](CC)SC)n1 ZINC000356516868 387666968 /nfs/dbraw/zinc/66/69/68/387666968.db2.gz 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240.372 3.606 20 0 BHADRN Cc1cc(F)ccc1-c1noc(C2=CCCC2)n1 ZINC000356535053 178080281 /nfs/dbraw/zinc/08/02/81/178080281.db2.gz WYFKQCSUFVHAAV-UHFFFAOYSA-N 0 0 244.269 3.751 20 0 BHADRN CCC(CC)c1noc([C@H](C)C(F)(F)F)n1 ZINC000356536864 387670863 /nfs/dbraw/zinc/67/08/63/387670863.db2.gz FKRKCCBHPURKIF-LURJTMIESA-N 0 0 236.237 3.639 20 0 BHADRN CCC(CC)c1noc([C@@H](C)C(F)(F)F)n1 ZINC000356536865 387671489 /nfs/dbraw/zinc/67/14/89/387671489.db2.gz FKRKCCBHPURKIF-ZCFIWIBFSA-N 0 0 236.237 3.639 20 0 BHADRN CCC(CC)c1noc(-c2cc(C)oc2C)n1 ZINC000356536901 387670423 /nfs/dbraw/zinc/67/04/23/387670423.db2.gz GJZPAPTWFDSGFG-UHFFFAOYSA-N 0 0 234.299 3.850 20 0 BHADRN CCOCCCSCc1ccccc1C ZINC000356537149 170385182 /nfs/dbraw/zinc/38/51/82/170385182.db2.gz RPBFOFCOEVYVCT-UHFFFAOYSA-N 0 0 224.369 3.655 20 0 BHADRN CCC(CC)c1noc(C2=C(C)CCC2)n1 ZINC000356537777 387671321 /nfs/dbraw/zinc/67/13/21/387671321.db2.gz HDBKGQYVSKHIBN-UHFFFAOYSA-N 0 0 220.316 3.931 20 0 BHADRN CCOCCCSc1ccc2c(c1)CCC2 ZINC000356538122 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/nfs/dbraw/zinc/23/84/70/188238470.db2.gz NLAADOAJWBDYEX-NUXDXBQRSA-N 0 0 206.289 3.563 20 0 BHADRN CCC(CC)c1noc(C(C2CC2)C2CC2)n1 ZINC000356542871 387673101 /nfs/dbraw/zinc/67/31/01/387673101.db2.gz PIYSEKTVMICQQD-UHFFFAOYSA-N 0 0 234.343 3.877 20 0 BHADRN CCC(CC)c1noc(-c2ccc(OC)cc2)n1 ZINC000356543611 168412972 /nfs/dbraw/zinc/41/29/72/168412972.db2.gz PXLFCLGXTKENER-UHFFFAOYSA-N 0 0 246.310 3.649 20 0 BHADRN CCC(CC)c1noc([C@H]2CC[C@@H](CC)O2)n1 ZINC000356544510 168414623 /nfs/dbraw/zinc/41/46/23/168414623.db2.gz RPAIMPMNFZAHCG-GHMZBOCLSA-N 0 0 238.331 3.603 20 0 BHADRN CCC(CC)c1noc([C@@H]2CC[C@@H](CC)O2)n1 ZINC000356544512 168415315 /nfs/dbraw/zinc/41/53/15/168415315.db2.gz RPAIMPMNFZAHCG-MNOVXSKESA-N 0 0 238.331 3.603 20 0 BHADRN CCC(CC)c1noc([C@@H]2CC[C@H](CC)O2)n1 ZINC000356544513 387672721 /nfs/dbraw/zinc/67/27/21/387672721.db2.gz RPAIMPMNFZAHCG-QWRGUYRKSA-N 0 0 238.331 3.603 20 0 BHADRN CCC(CC)c1noc([C@H]2CC[C@H](CC)O2)n1 ZINC000356544514 387672878 /nfs/dbraw/zinc/67/28/78/387672878.db2.gz RPAIMPMNFZAHCG-WDEREUQCSA-N 0 0 238.331 3.603 20 0 BHADRN CCC(CC)c1noc(-c2oc(C)cc2C)n1 ZINC000356545182 168412738 /nfs/dbraw/zinc/41/27/38/168412738.db2.gz SITDTWYJDJTSHG-UHFFFAOYSA-N 0 0 234.299 3.850 20 0 BHADRN CCC(CC)c1noc(Cc2ccsc2)n1 ZINC000356545338 387672938 /nfs/dbraw/zinc/67/29/38/387672938.db2.gz SZZHTIJMOCCFGK-UHFFFAOYSA-N 0 0 236.340 3.626 20 0 BHADRN CCC(CC)c1noc([C@@H]2CC=CCC2)n1 ZINC000356545384 168414157 /nfs/dbraw/zinc/41/41/57/168414157.db2.gz UAKHDVDGRBTMSY-LLVKDONJSA-N 0 0 220.316 3.797 20 0 BHADRN CCC(CC)c1noc([C@H]2CC=CCC2)n1 ZINC000356545387 168414056 /nfs/dbraw/zinc/41/40/56/168414056.db2.gz UAKHDVDGRBTMSY-NSHDSACASA-N 0 0 220.316 3.797 20 0 BHADRN CCC(CC)c1noc(C2=CCCC2)n1 ZINC000356546054 387672241 /nfs/dbraw/zinc/67/22/41/387672241.db2.gz UMHOUJVTVDVHJR-UHFFFAOYSA-N 0 0 206.289 3.541 20 0 BHADRN CCC(CC)c1noc([C@@H]2CCCCS2)n1 ZINC000356546114 387673309 /nfs/dbraw/zinc/67/33/09/387673309.db2.gz VJXXBICPBWJCKP-JTQLQIEISA-N 0 0 240.372 3.931 20 0 BHADRN CCC(CC)c1noc([C@H]2CCCCS2)n1 ZINC000356546115 387672195 /nfs/dbraw/zinc/67/21/95/387672195.db2.gz VJXXBICPBWJCKP-SNVBAGLBSA-N 0 0 240.372 3.931 20 0 BHADRN CCC(CC)c1noc([C@@H]2CC[C@H](C)C2)n1 ZINC000356546902 387672987 /nfs/dbraw/zinc/67/29/87/387672987.db2.gz WTXYVLTXWVGFRJ-GXSJLCMTSA-N 0 0 222.332 3.877 20 0 BHADRN CCC(CC)c1noc([C@H]2CC[C@@H](C)C2)n1 ZINC000356546903 168415201 /nfs/dbraw/zinc/41/52/01/168415201.db2.gz WTXYVLTXWVGFRJ-KOLCDFICSA-N 0 0 222.332 3.877 20 0 BHADRN CCC(CC)c1noc([C@@H]2CC[C@@H](C)C2)n1 ZINC000356546905 387672431 /nfs/dbraw/zinc/67/24/31/387672431.db2.gz WTXYVLTXWVGFRJ-MWLCHTKSSA-N 0 0 222.332 3.877 20 0 BHADRN CCC(CC)c1noc([C@H]2CC[C@H](C)C2)n1 ZINC000356546908 387673111 /nfs/dbraw/zinc/67/31/11/387673111.db2.gz WTXYVLTXWVGFRJ-ONGXEEELSA-N 0 0 222.332 3.877 20 0 BHADRN CCC(CC)c1noc(C(CC)CC)n1 ZINC000356547676 387672790 /nfs/dbraw/zinc/67/27/90/387672790.db2.gz XIOQBLCPPMYQSP-UHFFFAOYSA-N 0 0 210.321 3.877 20 0 BHADRN CCC(CC)c1noc(-c2cccs2)n1 ZINC000356547690 387673270 /nfs/dbraw/zinc/67/32/70/387673270.db2.gz XMDKDGZTRMPBGH-UHFFFAOYSA-N 0 0 222.313 3.702 20 0 BHADRN CCC(CC)c1noc(-c2ccoc2C)n1 ZINC000356547717 387672857 /nfs/dbraw/zinc/67/28/57/387672857.db2.gz XPDMAGWAQKJBGC-UHFFFAOYSA-N 0 0 220.272 3.542 20 0 BHADRN CCC(CC)c1noc(C2(CC)CCC2)n1 ZINC000356548607 387672764 /nfs/dbraw/zinc/67/27/64/387672764.db2.gz YRGDQXWIEMKHHJ-UHFFFAOYSA-N 0 0 222.332 3.805 20 0 BHADRN CCC(CC)c1noc([C@@H]2C[C@]2(C)CC)n1 ZINC000356548659 168414295 /nfs/dbraw/zinc/41/42/95/168414295.db2.gz YWTGOXBDUFJCJK-GWCFXTLKSA-N 0 0 222.332 3.877 20 0 BHADRN CCC(CC)c1noc([C@@H]2C[C@@]2(C)CC)n1 ZINC000356548661 387673169 /nfs/dbraw/zinc/67/31/69/387673169.db2.gz YWTGOXBDUFJCJK-GXFFZTMASA-N 0 0 222.332 3.877 20 0 BHADRN CCC(CC)c1noc([C@H]2C[C@]2(C)CC)n1 ZINC000356548662 387672611 /nfs/dbraw/zinc/67/26/11/387672611.db2.gz YWTGOXBDUFJCJK-MFKMUULPSA-N 0 0 222.332 3.877 20 0 BHADRN CCC(CC)c1noc([C@H]2C[C@@]2(C)CC)n1 ZINC000356548663 387673002 /nfs/dbraw/zinc/67/30/02/387673002.db2.gz YWTGOXBDUFJCJK-ZWNOBZJWSA-N 0 0 222.332 3.877 20 0 BHADRN CCC(CC)c1noc(CCc2ccc(C)o2)n1 ZINC000356548887 387673017 /nfs/dbraw/zinc/67/30/17/387673017.db2.gz ZRJIJCURHKKVRQ-UHFFFAOYSA-N 0 0 248.326 3.660 20 0 BHADRN CCC(CC)c1noc(-c2ccccc2)n1 ZINC000356548934 168413654 /nfs/dbraw/zinc/41/36/54/168413654.db2.gz ZWVCROWFYMFJNG-UHFFFAOYSA-N 0 0 216.284 3.640 20 0 BHADRN CCC(CC)c1noc(CCC2CCC2)n1 ZINC000356548963 168413024 /nfs/dbraw/zinc/41/30/24/168413024.db2.gz ZYTWWWBQRQNEOB-UHFFFAOYSA-N 0 0 222.332 3.706 20 0 BHADRN Cc1cc(C)cc(-c2noc(-c3ccoc3)n2)c1 ZINC000356552913 592719493 /nfs/dbraw/zinc/71/94/93/592719493.db2.gz SCPOQFAGBURXFC-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN Cc1cccc(C(=O)N(C)[C@H](C)C2CCC2)c1C ZINC000356559253 179005071 /nfs/dbraw/zinc/00/50/71/179005071.db2.gz GJPOYCACOLUABB-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C(=O)N(C)[C@@H](C)C2CCC2)c1C ZINC000356559257 179005418 /nfs/dbraw/zinc/00/54/18/179005418.db2.gz GJPOYCACOLUABB-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccsc1 ZINC000356563370 387675758 /nfs/dbraw/zinc/67/57/58/387675758.db2.gz GRUMONRNJQASED-NXEZZACHSA-N 0 0 240.372 3.694 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)Nc1ccsc1 ZINC000356563371 171297625 /nfs/dbraw/zinc/29/76/25/171297625.db2.gz GRUMONRNJQASED-UWVGGRQHSA-N 0 0 240.372 3.694 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccsc1 ZINC000356563373 171294210 /nfs/dbraw/zinc/29/42/10/171294210.db2.gz GRUMONRNJQASED-VHSXEESVSA-N 0 0 240.372 3.694 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccsc1 ZINC000356563374 387674815 /nfs/dbraw/zinc/67/48/15/387674815.db2.gz GRUMONRNJQASED-ZJUUUORDSA-N 0 0 240.372 3.694 20 0 BHADRN CC[C@H](C)c1nc([C@H]2CCc3ccccc32)no1 ZINC000356566684 387675907 /nfs/dbraw/zinc/67/59/07/387675907.db2.gz QPTRIDNTRVEURU-GWCFXTLKSA-N 0 0 242.322 3.661 20 0 BHADRN CC[C@H](C)c1nc([C@@H]2CCc3ccccc32)no1 ZINC000356566685 171413980 /nfs/dbraw/zinc/41/39/80/171413980.db2.gz QPTRIDNTRVEURU-GXFFZTMASA-N 0 0 242.322 3.661 20 0 BHADRN CC[C@@H](C)c1nc([C@H]2CCc3ccccc32)no1 ZINC000356566686 387674443 /nfs/dbraw/zinc/67/44/43/387674443.db2.gz QPTRIDNTRVEURU-MFKMUULPSA-N 0 0 242.322 3.661 20 0 BHADRN CC[C@@H](C)c1nc([C@@H]2CCc3ccccc32)no1 ZINC000356566687 387675395 /nfs/dbraw/zinc/67/53/95/387675395.db2.gz QPTRIDNTRVEURU-ZWNOBZJWSA-N 0 0 242.322 3.661 20 0 BHADRN Cc1cccc(C)c1C(=O)N(C)[C@H](C)C1CCC1 ZINC000356571179 179030048 /nfs/dbraw/zinc/03/00/48/179030048.db2.gz VXGIVHKNRAGHFA-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C)c1C(=O)N(C)[C@@H](C)C1CCC1 ZINC000356571183 179030576 /nfs/dbraw/zinc/03/05/76/179030576.db2.gz VXGIVHKNRAGHFA-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1ccoc1-c1nc([C@@H]2CCCC[C@@H]2C)no1 ZINC000356573067 387674877 /nfs/dbraw/zinc/67/48/77/387674877.db2.gz DZWFQOXBCNYELS-GXSJLCMTSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccoc1-c1nc([C@H]2CCCC[C@H]2C)no1 ZINC000356573069 179501437 /nfs/dbraw/zinc/50/14/37/179501437.db2.gz DZWFQOXBCNYELS-KOLCDFICSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccoc1-c1nc([C@@H]2CCCC[C@H]2C)no1 ZINC000356573071 387674416 /nfs/dbraw/zinc/67/44/16/387674416.db2.gz DZWFQOXBCNYELS-MWLCHTKSSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccoc1-c1nc([C@H]2CCCC[C@@H]2C)no1 ZINC000356573074 387674517 /nfs/dbraw/zinc/67/45/17/387674517.db2.gz DZWFQOXBCNYELS-ONGXEEELSA-N 0 0 246.310 3.932 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(C2=CCCC2)n1 ZINC000356577944 177090474 /nfs/dbraw/zinc/09/04/74/177090474.db2.gz LWMDBULHLHWWOV-CMPLNLGQSA-N 0 0 232.327 3.931 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(C2=CCCC2)n1 ZINC000356577948 177084065 /nfs/dbraw/zinc/08/40/65/177084065.db2.gz LWMDBULHLHWWOV-JQWIXIFHSA-N 0 0 232.327 3.931 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(C2=CCCC2)n1 ZINC000356577949 176082273 /nfs/dbraw/zinc/08/22/73/176082273.db2.gz LWMDBULHLHWWOV-PWSUYJOCSA-N 0 0 232.327 3.931 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(C2=CCCC2)n1 ZINC000356577951 176090605 /nfs/dbraw/zinc/09/06/05/176090605.db2.gz LWMDBULHLHWWOV-ZYHUDNBSSA-N 0 0 232.327 3.931 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(C(C)(C)F)n1 ZINC000356580743 176082471 /nfs/dbraw/zinc/08/24/71/176082471.db2.gz PQXNLJJEWWQAOB-BDAKNGLRSA-N 0 0 226.295 3.568 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(C(C)(C)F)n1 ZINC000356580747 177089994 /nfs/dbraw/zinc/08/99/94/177089994.db2.gz PQXNLJJEWWQAOB-DTWKUNHWSA-N 0 0 226.295 3.568 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(C(C)(C)F)n1 ZINC000356580751 177084471 /nfs/dbraw/zinc/08/44/71/177084471.db2.gz PQXNLJJEWWQAOB-IUCAKERBSA-N 0 0 226.295 3.568 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(C(C)(C)F)n1 ZINC000356580754 176090468 /nfs/dbraw/zinc/09/04/68/176090468.db2.gz PQXNLJJEWWQAOB-RKDXNWHRSA-N 0 0 226.295 3.568 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc([C@H]2CC2(C)C)n1 ZINC000356580889 176090569 /nfs/dbraw/zinc/09/05/69/176090569.db2.gz PYWZDPRYSNDTLB-GMTAPVOTSA-N 0 0 234.343 3.877 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc([C@@H]2CC2(C)C)n1 ZINC000356580891 176090444 /nfs/dbraw/zinc/09/04/44/176090444.db2.gz PYWZDPRYSNDTLB-MXWKQRLJSA-N 0 0 234.343 3.877 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc([C@H]2CC2(C)C)n1 ZINC000356580895 176083526 /nfs/dbraw/zinc/08/35/26/176083526.db2.gz PYWZDPRYSNDTLB-OUAUKWLOSA-N 0 0 234.343 3.877 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc([C@@H]2CC2(C)C)n1 ZINC000356580899 176083573 /nfs/dbraw/zinc/08/35/73/176083573.db2.gz PYWZDPRYSNDTLB-VWYCJHECSA-N 0 0 234.343 3.877 20 0 BHADRN Cc1cc(C)cc(C(=O)N(C)[C@H](C)C2CCC2)c1 ZINC000356581526 177892333 /nfs/dbraw/zinc/89/23/33/177892333.db2.gz DJUNKOAYNGHMHH-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cc(C)cc(C(=O)N(C)[C@@H](C)C2CCC2)c1 ZINC000356581528 397948698 /nfs/dbraw/zinc/94/86/98/397948698.db2.gz DJUNKOAYNGHMHH-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1ccc(-c2nc([C@@H]3CCCC[C@@H]3C)no2)o1 ZINC000356581839 178335832 /nfs/dbraw/zinc/33/58/32/178335832.db2.gz HJTCAULQWNTJOM-GXSJLCMTSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccc(-c2nc([C@H]3CCCC[C@H]3C)no2)o1 ZINC000356581852 178336904 /nfs/dbraw/zinc/33/69/04/178336904.db2.gz HJTCAULQWNTJOM-KOLCDFICSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccc(-c2nc([C@@H]3CCCC[C@H]3C)no2)o1 ZINC000356581853 178336402 /nfs/dbraw/zinc/33/64/02/178336402.db2.gz HJTCAULQWNTJOM-MWLCHTKSSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccc(-c2nc([C@H]3CCCC[C@@H]3C)no2)o1 ZINC000356581854 178336649 /nfs/dbraw/zinc/33/66/49/178336649.db2.gz HJTCAULQWNTJOM-ONGXEEELSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@H](C)C2CCC2)c(C)c1 ZINC000356583741 178380968 /nfs/dbraw/zinc/38/09/68/178380968.db2.gz GSFAMCXWIVDQSQ-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@@H](C)C2CCC2)c(C)c1 ZINC000356583744 178379825 /nfs/dbraw/zinc/37/98/25/178379825.db2.gz GSFAMCXWIVDQSQ-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN CCOCCCSc1cccc2cccnc21 ZINC000356585396 170384661 /nfs/dbraw/zinc/38/46/61/170384661.db2.gz WYGXFTUVRGASAI-UHFFFAOYSA-N 0 0 247.363 3.754 20 0 BHADRN CCOCCCSc1cccc(C)c1 ZINC000356585991 170385146 /nfs/dbraw/zinc/38/51/46/170385146.db2.gz DVRMZQZQBXSSCL-UHFFFAOYSA-N 0 0 210.342 3.514 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(-c2ccco2)n1 ZINC000356586244 176090534 /nfs/dbraw/zinc/09/05/34/176090534.db2.gz XPNSLIYGSNMQAJ-NXEZZACHSA-N 0 0 232.283 3.623 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(-c2ccco2)n1 ZINC000356586247 177084696 /nfs/dbraw/zinc/08/46/96/177084696.db2.gz XPNSLIYGSNMQAJ-UWVGGRQHSA-N 0 0 232.283 3.623 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(-c2ccco2)n1 ZINC000356586287 177090366 /nfs/dbraw/zinc/09/03/66/177090366.db2.gz XPNSLIYGSNMQAJ-VHSXEESVSA-N 0 0 232.283 3.623 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(-c2ccco2)n1 ZINC000356586298 176082315 /nfs/dbraw/zinc/08/23/15/176082315.db2.gz XPNSLIYGSNMQAJ-ZJUUUORDSA-N 0 0 232.283 3.623 20 0 BHADRN CCOCCCSc1ccccc1C ZINC000356587317 170384580 /nfs/dbraw/zinc/38/45/80/170384580.db2.gz YTGYDTAHQOUOCA-UHFFFAOYSA-N 0 0 210.342 3.514 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(C2CCC2)n1 ZINC000356587454 177090793 /nfs/dbraw/zinc/09/07/93/177090793.db2.gz ZGQGBFKMMLRUPQ-GXSJLCMTSA-N 0 0 220.316 3.631 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(C2CCC2)n1 ZINC000356587456 176082523 /nfs/dbraw/zinc/08/25/23/176082523.db2.gz ZGQGBFKMMLRUPQ-KOLCDFICSA-N 0 0 220.316 3.631 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(C2CCC2)n1 ZINC000356587458 176090080 /nfs/dbraw/zinc/09/00/80/176090080.db2.gz ZGQGBFKMMLRUPQ-MWLCHTKSSA-N 0 0 220.316 3.631 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(C2CCC2)n1 ZINC000356587459 177084032 /nfs/dbraw/zinc/08/40/32/177084032.db2.gz ZGQGBFKMMLRUPQ-ONGXEEELSA-N 0 0 220.316 3.631 20 0 BHADRN CCC1(C(=O)N(C)[C@H](C)C2CCC2)CCCC1 ZINC000356587505 387677197 /nfs/dbraw/zinc/67/71/97/387677197.db2.gz ISODHQNWYNBQMY-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C(=O)N(C)[C@@H](C)C2CCC2)CCCC1 ZINC000356587506 387677876 /nfs/dbraw/zinc/67/78/76/387677876.db2.gz ISODHQNWYNBQMY-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@H](C)C2CCC2)cc1C ZINC000356587560 178380636 /nfs/dbraw/zinc/38/06/36/178380636.db2.gz JCUDFGFKPFJNHC-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1ccc(C(=O)N(C)[C@@H](C)C2CCC2)cc1C ZINC000356587561 178379924 /nfs/dbraw/zinc/37/99/24/178379924.db2.gz JCUDFGFKPFJNHC-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(-c2ccoc2)n1 ZINC000356588517 177090357 /nfs/dbraw/zinc/09/03/57/177090357.db2.gz LXFSAVDCFUHUFZ-GXSJLCMTSA-N 0 0 232.283 3.623 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(-c2ccoc2)n1 ZINC000356588519 176082293 /nfs/dbraw/zinc/08/22/93/176082293.db2.gz LXFSAVDCFUHUFZ-KOLCDFICSA-N 0 0 232.283 3.623 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(-c2ccoc2)n1 ZINC000356588520 176090448 /nfs/dbraw/zinc/09/04/48/176090448.db2.gz LXFSAVDCFUHUFZ-MWLCHTKSSA-N 0 0 232.283 3.623 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(-c2ccoc2)n1 ZINC000356588521 177084076 /nfs/dbraw/zinc/08/40/76/177084076.db2.gz LXFSAVDCFUHUFZ-ONGXEEELSA-N 0 0 232.283 3.623 20 0 BHADRN CS[C@H](C)c1nc([C@H]2CCCC[C@@H]2C)no1 ZINC000356590525 387677033 /nfs/dbraw/zinc/67/70/33/387677033.db2.gz NFNHWKKAWJHHMF-AEJSXWLSSA-N 0 0 240.372 3.787 20 0 BHADRN CS[C@H](C)c1nc([C@H]2CCCC[C@H]2C)no1 ZINC000356590527 387676923 /nfs/dbraw/zinc/67/69/23/387676923.db2.gz NFNHWKKAWJHHMF-BBBLOLIVSA-N 0 0 240.372 3.787 20 0 BHADRN CS[C@H](C)c1nc([C@@H]2CCCC[C@@H]2C)no1 ZINC000356590530 387676617 /nfs/dbraw/zinc/67/66/17/387676617.db2.gz NFNHWKKAWJHHMF-IVZWLZJFSA-N 0 0 240.372 3.787 20 0 BHADRN CS[C@H](C)c1nc([C@@H]2CCCC[C@H]2C)no1 ZINC000356590535 387677764 /nfs/dbraw/zinc/67/77/64/387677764.db2.gz NFNHWKKAWJHHMF-OPRDCNLKSA-N 0 0 240.372 3.787 20 0 BHADRN CCc1ccccc1C(=O)N(C)[C@H](C)C1CCC1 ZINC000356591361 387679145 /nfs/dbraw/zinc/67/91/45/387679145.db2.gz LRJURHAQEPOQFV-GFCCVEGCSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccccc1C(=O)N(C)[C@@H](C)C1CCC1 ZINC000356591363 387679604 /nfs/dbraw/zinc/67/96/04/387679604.db2.gz LRJURHAQEPOQFV-LBPRGKRZSA-N 0 0 245.366 3.510 20 0 BHADRN CCC1(c2nc([C@@H]3CCCC[C@H]3C)no2)CC1 ZINC000356592888 387680136 /nfs/dbraw/zinc/68/01/36/387680136.db2.gz PKFXIFCGBYREAD-GHMZBOCLSA-N 0 0 234.343 3.805 20 0 BHADRN CCC1(c2nc([C@H]3CCCC[C@H]3C)no2)CC1 ZINC000356592922 387680123 /nfs/dbraw/zinc/68/01/23/387680123.db2.gz PKFXIFCGBYREAD-MNOVXSKESA-N 0 0 234.343 3.805 20 0 BHADRN CCC1(c2nc([C@H]3CCCC[C@@H]3C)no2)CC1 ZINC000356592923 387678883 /nfs/dbraw/zinc/67/88/83/387678883.db2.gz PKFXIFCGBYREAD-QWRGUYRKSA-N 0 0 234.343 3.805 20 0 BHADRN CCC1(c2nc([C@@H]3CCCC[C@@H]3C)no2)CC1 ZINC000356592924 387679994 /nfs/dbraw/zinc/67/99/94/387679994.db2.gz PKFXIFCGBYREAD-WDEREUQCSA-N 0 0 234.343 3.805 20 0 BHADRN Cc1occc1-c1nc([C@@H]2CCCC[C@@H]2C)no1 ZINC000356593534 387680051 /nfs/dbraw/zinc/68/00/51/387680051.db2.gz FRTCPWPLIRVIPI-GXSJLCMTSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1occc1-c1nc([C@H]2CCCC[C@H]2C)no1 ZINC000356593536 387679781 /nfs/dbraw/zinc/67/97/81/387679781.db2.gz FRTCPWPLIRVIPI-KOLCDFICSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1occc1-c1nc([C@@H]2CCCC[C@H]2C)no1 ZINC000356593540 387679965 /nfs/dbraw/zinc/67/99/65/387679965.db2.gz FRTCPWPLIRVIPI-MWLCHTKSSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1occc1-c1nc([C@H]2CCCC[C@@H]2C)no1 ZINC000356593544 387680175 /nfs/dbraw/zinc/68/01/75/387680175.db2.gz FRTCPWPLIRVIPI-ONGXEEELSA-N 0 0 246.310 3.932 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(CC2CCC2)n1 ZINC000356598377 177090372 /nfs/dbraw/zinc/09/03/72/177090372.db2.gz UWXGMMXLCVDFBI-CMPLNLGQSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(CC2CCC2)n1 ZINC000356598378 177084664 /nfs/dbraw/zinc/08/46/64/177084664.db2.gz UWXGMMXLCVDFBI-JQWIXIFHSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(CC2CCC2)n1 ZINC000356598379 176083348 /nfs/dbraw/zinc/08/33/48/176083348.db2.gz UWXGMMXLCVDFBI-PWSUYJOCSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(CC2CCC2)n1 ZINC000356598380 176089978 /nfs/dbraw/zinc/08/99/78/176089978.db2.gz UWXGMMXLCVDFBI-ZYHUDNBSSA-N 0 0 234.343 3.706 20 0 BHADRN CCOC(=O)C[C@@H](C)SCCC1CCCC1 ZINC000356598381 170230786 /nfs/dbraw/zinc/23/07/86/170230786.db2.gz UWZUSXRTOCEXGV-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CCOC(=O)C[C@H](C)SCCC1CCCC1 ZINC000356598382 170233337 /nfs/dbraw/zinc/23/33/37/170233337.db2.gz UWZUSXRTOCEXGV-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CCc1ccc(C(=O)N(C)[C@H](C)C2CCC2)cc1 ZINC000356598844 171784310 /nfs/dbraw/zinc/78/43/10/171784310.db2.gz RCNNCPNFCMMXCJ-GFCCVEGCSA-N 0 0 245.366 3.510 20 0 BHADRN CCc1ccc(C(=O)N(C)[C@@H](C)C2CCC2)cc1 ZINC000356598845 387679053 /nfs/dbraw/zinc/67/90/53/387679053.db2.gz RCNNCPNFCMMXCJ-LBPRGKRZSA-N 0 0 245.366 3.510 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(CCC2CC2)n1 ZINC000356599475 177090620 /nfs/dbraw/zinc/09/06/20/177090620.db2.gz WCXIZYREIFOTNH-CMPLNLGQSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(CCC2CC2)n1 ZINC000356599476 177084592 /nfs/dbraw/zinc/08/45/92/177084592.db2.gz WCXIZYREIFOTNH-JQWIXIFHSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(CCC2CC2)n1 ZINC000356599477 176083552 /nfs/dbraw/zinc/08/35/52/176083552.db2.gz WCXIZYREIFOTNH-PWSUYJOCSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(CCC2CC2)n1 ZINC000356599478 176089935 /nfs/dbraw/zinc/08/99/35/176089935.db2.gz WCXIZYREIFOTNH-ZYHUDNBSSA-N 0 0 234.343 3.706 20 0 BHADRN CC1(Nc2ncnc3ccc(F)cc32)CCCC1 ZINC000356601086 538812936 /nfs/dbraw/zinc/81/29/36/538812936.db2.gz OVBFAEJBWJAXCU-UHFFFAOYSA-N 0 0 245.301 3.514 20 0 BHADRN c1cc2cc(-c3noc(C4CC4)n3)ccc2s1 ZINC000356601286 183374429 /nfs/dbraw/zinc/37/44/29/183374429.db2.gz XVNSUFPNEFEWTK-UHFFFAOYSA-N 0 0 242.303 3.829 20 0 BHADRN Cc1ccc(C)c(C(=O)N(C)[C@H](C)C2CCC2)c1 ZINC000356604773 178464999 /nfs/dbraw/zinc/46/49/99/178464999.db2.gz VRIIBWPHXDXCOR-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1ccc(C)c(C(=O)N(C)[C@@H](C)C2CCC2)c1 ZINC000356604774 387681377 /nfs/dbraw/zinc/68/13/77/387681377.db2.gz VRIIBWPHXDXCOR-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN C[C@H](C1CCC1)N(C)C(=O)CCC1CCCC1 ZINC000356606045 387681255 /nfs/dbraw/zinc/68/12/55/387681255.db2.gz WOMLWYOERAUKOR-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](C1CCC1)N(C)C(=O)CCC1CCCC1 ZINC000356606047 387681390 /nfs/dbraw/zinc/68/13/90/387681390.db2.gz WOMLWYOERAUKOR-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N(C)[C@H](C)C2CCC2)CCC1 ZINC000356607009 387681080 /nfs/dbraw/zinc/68/10/80/387681080.db2.gz XHCLRTCUCUDTBF-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N(C)[C@@H](C)C2CCC2)CCC1 ZINC000356607010 168587818 /nfs/dbraw/zinc/58/78/18/168587818.db2.gz XHCLRTCUCUDTBF-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(C2CC=CC2)n1 ZINC000356609471 177090159 /nfs/dbraw/zinc/09/01/59/177090159.db2.gz SADZOCNAQGZWOR-CMPLNLGQSA-N 0 0 232.327 3.797 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(C2CC=CC2)n1 ZINC000356609473 177084299 /nfs/dbraw/zinc/08/42/99/177084299.db2.gz SADZOCNAQGZWOR-JQWIXIFHSA-N 0 0 232.327 3.797 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(C2CC=CC2)n1 ZINC000356609475 176082658 /nfs/dbraw/zinc/08/26/58/176082658.db2.gz SADZOCNAQGZWOR-PWSUYJOCSA-N 0 0 232.327 3.797 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(C2CC=CC2)n1 ZINC000356609477 176090418 /nfs/dbraw/zinc/09/04/18/176090418.db2.gz SADZOCNAQGZWOR-ZYHUDNBSSA-N 0 0 232.327 3.797 20 0 BHADRN CC(C)Cc1nc([C@@H]2CCCC[C@H]2C)no1 ZINC000356609508 188421531 /nfs/dbraw/zinc/42/15/31/188421531.db2.gz SEBFTYAKSKBLTO-GHMZBOCLSA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)Cc1nc([C@H]2CCCC[C@H]2C)no1 ZINC000356609945 187376915 /nfs/dbraw/zinc/37/69/15/187376915.db2.gz SEBFTYAKSKBLTO-MNOVXSKESA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)Cc1nc([C@H]2CCCC[C@@H]2C)no1 ZINC000356609946 188238911 /nfs/dbraw/zinc/23/89/11/188238911.db2.gz SEBFTYAKSKBLTO-QWRGUYRKSA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)Cc1nc([C@@H]2CCCC[C@@H]2C)no1 ZINC000356609947 188064981 /nfs/dbraw/zinc/06/49/81/188064981.db2.gz SEBFTYAKSKBLTO-WDEREUQCSA-N 0 0 222.332 3.562 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc(C2(C)CCC2)n1 ZINC000356610622 176090421 /nfs/dbraw/zinc/09/04/21/176090421.db2.gz UNMUJVRTPYYJKV-GHMZBOCLSA-N 0 0 234.343 3.805 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc(C2(C)CCC2)n1 ZINC000356610623 176082698 /nfs/dbraw/zinc/08/26/98/176082698.db2.gz UNMUJVRTPYYJKV-MNOVXSKESA-N 0 0 234.343 3.805 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1noc(C2(C)CCC2)n1 ZINC000356610624 177084524 /nfs/dbraw/zinc/08/45/24/177084524.db2.gz UNMUJVRTPYYJKV-QWRGUYRKSA-N 0 0 234.343 3.805 20 0 BHADRN C[C@H]1CCCC[C@H]1c1noc(C2(C)CCC2)n1 ZINC000356610625 177090204 /nfs/dbraw/zinc/09/02/04/177090204.db2.gz UNMUJVRTPYYJKV-WDEREUQCSA-N 0 0 234.343 3.805 20 0 BHADRN C[C@@H]1C[C@@H](C(=O)N2CCC23CCC3)CC(C)(C)C1 ZINC000356638802 176357060 /nfs/dbraw/zinc/35/70/60/176357060.db2.gz WOZCEBKJNSCJSP-CHWSQXEVSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1C[C@H](C(=O)N2CCC23CCC3)CC(C)(C)C1 ZINC000356638803 176409159 /nfs/dbraw/zinc/40/91/59/176409159.db2.gz WOZCEBKJNSCJSP-OLZOCXBDSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1C[C@@H](C(=O)N2CCC23CCC3)CC(C)(C)C1 ZINC000356638804 177307871 /nfs/dbraw/zinc/30/78/71/177307871.db2.gz WOZCEBKJNSCJSP-QWHCGFSZSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1C[C@H](C(=O)N2CCC23CCC3)CC(C)(C)C1 ZINC000356638805 177353749 /nfs/dbraw/zinc/35/37/49/177353749.db2.gz WOZCEBKJNSCJSP-STQMWFEESA-N 0 0 249.398 3.604 20 0 BHADRN CCc1cnccc1[C@@H](C)[C@@H]1CCCOCC1 ZINC000356675398 356801784 /nfs/dbraw/zinc/80/17/84/356801784.db2.gz KQTJYMGUDJNXNP-GXTWGEPZSA-N 0 0 233.355 3.564 20 0 BHADRN CCc1cnccc1[C@@H](C)[C@H]1CCCOCC1 ZINC000356675400 356801735 /nfs/dbraw/zinc/80/17/35/356801735.db2.gz KQTJYMGUDJNXNP-JSGCOSHPSA-N 0 0 233.355 3.564 20 0 BHADRN CCc1cnccc1[C@H](C)[C@H]1CCCOCC1 ZINC000356675402 356801676 /nfs/dbraw/zinc/80/16/76/356801676.db2.gz KQTJYMGUDJNXNP-OCCSQVGLSA-N 0 0 233.355 3.564 20 0 BHADRN CCc1cnccc1[C@H](C)[C@@H]1CCCOCC1 ZINC000356675405 342879768 /nfs/dbraw/zinc/87/97/68/342879768.db2.gz KQTJYMGUDJNXNP-TZMCWYRMSA-N 0 0 233.355 3.564 20 0 BHADRN CC[C@@H](Nc1ccc(C(C)=O)cn1)C(C)(C)C ZINC000356729054 356803497 /nfs/dbraw/zinc/80/34/97/356803497.db2.gz FNSSTAAVXAOCDW-GFCCVEGCSA-N 0 0 234.343 3.521 20 0 BHADRN CC[C@H](Nc1ccc(C(C)=O)cn1)C(C)(C)C ZINC000356729056 387709756 /nfs/dbraw/zinc/70/97/56/387709756.db2.gz FNSSTAAVXAOCDW-LBPRGKRZSA-N 0 0 234.343 3.521 20 0 BHADRN CC(=O)c1ccc(NCC2(C)CCCCC2)nc1 ZINC000356735236 387710360 /nfs/dbraw/zinc/71/03/60/387710360.db2.gz DXLDYSJCELENHU-UHFFFAOYSA-N 0 0 246.354 3.667 20 0 BHADRN C[C@H]1CC[C@@H]1NC(=O)CC1CCC(C)(C)CC1 ZINC000356735624 259306564 /nfs/dbraw/zinc/30/65/64/259306564.db2.gz UQPVYUCQBTXJBY-AAEUAGOBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H]1NC(=O)CC1CCC(C)(C)CC1 ZINC000356735625 176235816 /nfs/dbraw/zinc/23/58/16/176235816.db2.gz UQPVYUCQBTXJBY-DGCLKSJQSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CC[C@H]1NC(=O)CC1CCC(C)(C)CC1 ZINC000356735626 177206557 /nfs/dbraw/zinc/20/65/57/177206557.db2.gz UQPVYUCQBTXJBY-WCQYABFASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H]1NC(=O)CC1CCC(C)(C)CC1 ZINC000356735627 259306690 /nfs/dbraw/zinc/30/66/90/259306690.db2.gz UQPVYUCQBTXJBY-YPMHNXCESA-N 0 0 237.387 3.508 20 0 BHADRN CC(=O)c1ccc(NC2C[C@H](C)C[C@@H](C)C2)nc1 ZINC000356735929 387710530 /nfs/dbraw/zinc/71/05/30/387710530.db2.gz FNKWGAFGIUQQJC-GHMZBOCLSA-N 0 0 246.354 3.521 20 0 BHADRN CC(=O)c1ccc(NC2C[C@@H](C)C[C@H](C)C2)nc1 ZINC000356735930 387710092 /nfs/dbraw/zinc/71/00/92/387710092.db2.gz FNKWGAFGIUQQJC-QWRGUYRKSA-N 0 0 246.354 3.521 20 0 BHADRN CC(=O)c1ccc(N[C@H]2C[C@H](C)C[C@H](C)C2)nc1 ZINC000356735931 387710782 /nfs/dbraw/zinc/71/07/82/387710782.db2.gz FNKWGAFGIUQQJC-YABSGUDNSA-N 0 0 246.354 3.521 20 0 BHADRN CC(=O)c1ccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)nc1 ZINC000356736773 387709891 /nfs/dbraw/zinc/70/98/91/387709891.db2.gz GQCGGFKJICFVDG-COPLHBTASA-N 0 0 246.354 3.521 20 0 BHADRN CC(=O)c1ccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)nc1 ZINC000356736774 387710418 /nfs/dbraw/zinc/71/04/18/387710418.db2.gz GQCGGFKJICFVDG-JTNHKYCSSA-N 0 0 246.354 3.521 20 0 BHADRN CC(=O)c1ccc(N[C@@H]2CC[C@H](C)C[C@H]2C)nc1 ZINC000356736775 387709703 /nfs/dbraw/zinc/70/97/03/387709703.db2.gz GQCGGFKJICFVDG-MISXGVKJSA-N 0 0 246.354 3.521 20 0 BHADRN CC(=O)c1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)nc1 ZINC000356736776 187213780 /nfs/dbraw/zinc/21/37/80/187213780.db2.gz GQCGGFKJICFVDG-UHIISALHSA-N 0 0 246.354 3.521 20 0 BHADRN CCCC1(CNc2ccc(C(C)=O)cn2)CCC1 ZINC000356741172 387711896 /nfs/dbraw/zinc/71/18/96/387711896.db2.gz KZDJWIUPMQAJRC-UHFFFAOYSA-N 0 0 246.354 3.667 20 0 BHADRN CC(=O)c1ccc(N[C@H](C)CCC(C)(C)C)nc1 ZINC000356749115 188065450 /nfs/dbraw/zinc/06/54/50/188065450.db2.gz WEBFFVTZFJEHCW-LLVKDONJSA-N 0 0 248.370 3.911 20 0 BHADRN CC(=O)c1ccc(N[C@@H](C)CCC(C)(C)C)nc1 ZINC000356749120 187724383 /nfs/dbraw/zinc/72/43/83/187724383.db2.gz WEBFFVTZFJEHCW-NSHDSACASA-N 0 0 248.370 3.911 20 0 BHADRN CC[C@H]1CCC[C@@H](Nc2ccc(C(C)=O)cn2)C1 ZINC000356785610 387718622 /nfs/dbraw/zinc/71/86/22/387718622.db2.gz XMEZCHLOPPLINA-GXTWGEPZSA-N 0 0 246.354 3.665 20 0 BHADRN CC[C@H]1CCC[C@H](Nc2ccc(C(C)=O)cn2)C1 ZINC000356785612 387720391 /nfs/dbraw/zinc/72/03/91/387720391.db2.gz XMEZCHLOPPLINA-JSGCOSHPSA-N 0 0 246.354 3.665 20 0 BHADRN CC[C@@H]1CCC[C@H](Nc2ccc(C(C)=O)cn2)C1 ZINC000356785615 356805445 /nfs/dbraw/zinc/80/54/45/356805445.db2.gz XMEZCHLOPPLINA-OCCSQVGLSA-N 0 0 246.354 3.665 20 0 BHADRN CC[C@@H]1CCC[C@@H](Nc2ccc(C(C)=O)cn2)C1 ZINC000356785618 356806020 /nfs/dbraw/zinc/80/60/20/356806020.db2.gz XMEZCHLOPPLINA-TZMCWYRMSA-N 0 0 246.354 3.665 20 0 BHADRN CC(=O)c1ccc(NC2CCC(C)(C)CC2)nc1 ZINC000356785653 387719966 /nfs/dbraw/zinc/71/99/66/387719966.db2.gz XQLUMRHNMSOYIF-UHFFFAOYSA-N 0 0 246.354 3.665 20 0 BHADRN C[C@H](C1CCC1)N(C)c1nc2cc(F)ccc2o1 ZINC000356787095 387718838 /nfs/dbraw/zinc/71/88/38/387718838.db2.gz CUMCKHXAYRPQSW-SECBINFHSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@@H](C1CCC1)N(C)c1nc2cc(F)ccc2o1 ZINC000356787097 175635956 /nfs/dbraw/zinc/63/59/56/175635956.db2.gz CUMCKHXAYRPQSW-VIFPVBQESA-N 0 0 248.301 3.592 20 0 BHADRN Cc1cc(N(C)[C@H](C)C2CCC2)nc(C(C)C)n1 ZINC000356793232 178100142 /nfs/dbraw/zinc/10/01/42/178100142.db2.gz LDLMIYGLGFETOQ-GFCCVEGCSA-N 0 0 247.386 3.533 20 0 BHADRN Cc1cc(N(C)[C@@H](C)C2CCC2)nc(C(C)C)n1 ZINC000356793233 178100190 /nfs/dbraw/zinc/10/01/90/178100190.db2.gz LDLMIYGLGFETOQ-LBPRGKRZSA-N 0 0 247.386 3.533 20 0 BHADRN c1cc2c(ccnc2N[C@@H]2CC23CCCCC3)o1 ZINC000356800189 183378173 /nfs/dbraw/zinc/37/81/73/183378173.db2.gz ZIYBHKANMMZWKX-CYBMUJFWSA-N 0 0 242.322 3.963 20 0 BHADRN c1cc2c(ccnc2N[C@H]2CC23CCCCC3)o1 ZINC000356800191 183378004 /nfs/dbraw/zinc/37/80/04/183378004.db2.gz ZIYBHKANMMZWKX-ZDUSSCGKSA-N 0 0 242.322 3.963 20 0 BHADRN CC(=O)c1ccc(N[C@@H]2CCCCC2(C)C)nc1 ZINC000356807323 384490407 /nfs/dbraw/zinc/49/04/07/384490407.db2.gz KQICVFHBCIYUBM-CYBMUJFWSA-N 0 0 246.354 3.665 20 0 BHADRN CC(=O)c1ccc(N[C@H]2CCCCC2(C)C)nc1 ZINC000356807324 166467258 /nfs/dbraw/zinc/46/72/58/166467258.db2.gz KQICVFHBCIYUBM-ZDUSSCGKSA-N 0 0 246.354 3.665 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)c1ccoc1C1CC1 ZINC000356809032 387724440 /nfs/dbraw/zinc/72/44/40/387724440.db2.gz AHMJURXBPXINRF-UHFFFAOYSA-N 0 0 249.354 3.712 20 0 BHADRN CC/C=C(/C)c1nc(-c2ncccc2CC)no1 ZINC000356811191 387724983 /nfs/dbraw/zinc/72/49/83/387724983.db2.gz FHFXBKADQUIXSQ-YFHOEESVSA-N 0 0 243.310 3.507 20 0 BHADRN CCN(C(=O)[C@H](C)CC(C)(C)C)c1ccncc1 ZINC000356833822 169651981 /nfs/dbraw/zinc/65/19/81/169651981.db2.gz SIJVEJUCJCMHOG-GFCCVEGCSA-N 0 0 248.370 3.507 20 0 BHADRN CCN(C(=O)[C@@H](C)CC(C)(C)C)c1ccncc1 ZINC000356833828 387727340 /nfs/dbraw/zinc/72/73/40/387727340.db2.gz SIJVEJUCJCMHOG-LBPRGKRZSA-N 0 0 248.370 3.507 20 0 BHADRN CCC1(CNc2ccc(C(C)=O)cn2)CCCC1 ZINC000356847406 168483184 /nfs/dbraw/zinc/48/31/84/168483184.db2.gz CMSCBPZEWRMYHK-UHFFFAOYSA-N 0 0 246.354 3.667 20 0 BHADRN CC(C)(C(=O)Nc1ccc2ccoc2c1)C1CC1 ZINC000356856680 387733191 /nfs/dbraw/zinc/73/31/91/387733191.db2.gz WLEGKXDCXUHBAV-UHFFFAOYSA-N 0 0 243.306 3.808 20 0 BHADRN C[C@H](c1noc(C2CC=CC2)n1)C(C)(C)C ZINC000356856914 177054967 /nfs/dbraw/zinc/05/49/67/177054967.db2.gz DZDALEFYCXDYTF-SECBINFHSA-N 0 0 220.316 3.653 20 0 BHADRN C[C@@H](c1noc(C2CC=CC2)n1)C(C)(C)C ZINC000356856915 176041787 /nfs/dbraw/zinc/04/17/87/176041787.db2.gz DZDALEFYCXDYTF-VIFPVBQESA-N 0 0 220.316 3.653 20 0 BHADRN CC1=C(C(=O)N2CC[C@@H](C)C3(CCC3)C2)CCC1 ZINC000356859904 168075651 /nfs/dbraw/zinc/07/56/51/168075651.db2.gz FJNASLJJDYUDNS-CYBMUJFWSA-N 0 0 247.382 3.526 20 0 BHADRN CC1=C(C(=O)N2CC[C@H](C)C3(CCC3)C2)CCC1 ZINC000356859906 168075756 /nfs/dbraw/zinc/07/57/56/168075756.db2.gz FJNASLJJDYUDNS-ZDUSSCGKSA-N 0 0 247.382 3.526 20 0 BHADRN CCc1cccnc1[C@@H](C)Nc1cc(C)ccn1 ZINC000356863773 387736325 /nfs/dbraw/zinc/73/63/25/387736325.db2.gz BZUXMOIGTZAAEP-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1cccnc1[C@H](C)Nc1cc(C)ccn1 ZINC000356863774 356807974 /nfs/dbraw/zinc/80/79/74/356807974.db2.gz BZUXMOIGTZAAEP-LBPRGKRZSA-N 0 0 241.338 3.521 20 0 BHADRN C[C@H](c1noc([C@@H]2CC2(C)C)n1)C(C)(C)C ZINC000356865711 177056203 /nfs/dbraw/zinc/05/62/03/177056203.db2.gz XJCSWBZVLREPHR-BDAKNGLRSA-N 0 0 222.332 3.733 20 0 BHADRN C[C@@H](c1noc([C@H]2CC2(C)C)n1)C(C)(C)C ZINC000356865713 176042103 /nfs/dbraw/zinc/04/21/03/176042103.db2.gz XJCSWBZVLREPHR-DTWKUNHWSA-N 0 0 222.332 3.733 20 0 BHADRN C[C@@H](c1noc([C@@H]2CC2(C)C)n1)C(C)(C)C ZINC000356865715 176041480 /nfs/dbraw/zinc/04/14/80/176041480.db2.gz XJCSWBZVLREPHR-IUCAKERBSA-N 0 0 222.332 3.733 20 0 BHADRN C[C@H](c1noc([C@H]2CC2(C)C)n1)C(C)(C)C ZINC000356865716 177056123 /nfs/dbraw/zinc/05/61/23/177056123.db2.gz XJCSWBZVLREPHR-RKDXNWHRSA-N 0 0 222.332 3.733 20 0 BHADRN Cc1ccc(CNC2(c3ccc(F)cc3)CC2)o1 ZINC000356866817 178602355 /nfs/dbraw/zinc/60/23/55/178602355.db2.gz OINGOJSIDKBYTD-UHFFFAOYSA-N 0 0 245.297 3.506 20 0 BHADRN Cc1cccc(-c2nc([C@H](C)C(C)(C)C)no2)n1 ZINC000356866951 387736133 /nfs/dbraw/zinc/73/61/33/387736133.db2.gz ZRILMWQVAZFZAQ-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1cccc(-c2nc([C@@H](C)C(C)(C)C)no2)n1 ZINC000356866955 178997115 /nfs/dbraw/zinc/99/71/15/178997115.db2.gz ZRILMWQVAZFZAQ-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN COCC[C@H](C)Nc1ccc(F)c(C2CC2)c1 ZINC000356870807 387734954 /nfs/dbraw/zinc/73/49/54/387734954.db2.gz OMLRYDJLGCHPFM-JTQLQIEISA-N 0 0 237.318 3.540 20 0 BHADRN COCC[C@@H](C)Nc1ccc(F)c(C2CC2)c1 ZINC000356870810 174386806 /nfs/dbraw/zinc/38/68/06/174386806.db2.gz OMLRYDJLGCHPFM-SNVBAGLBSA-N 0 0 237.318 3.540 20 0 BHADRN C[C@H](c1noc(CC2CCC2)n1)C(C)(C)C ZINC000356871420 177056158 /nfs/dbraw/zinc/05/61/58/177056158.db2.gz IIBGURPWWHBUOO-SECBINFHSA-N 0 0 222.332 3.562 20 0 BHADRN C[C@@H](c1noc(CC2CCC2)n1)C(C)(C)C ZINC000356871423 176041702 /nfs/dbraw/zinc/04/17/02/176041702.db2.gz IIBGURPWWHBUOO-VIFPVBQESA-N 0 0 222.332 3.562 20 0 BHADRN Cc1ccc(-c2nc([C@H](C)C(C)(C)C)no2)cn1 ZINC000356871426 178336184 /nfs/dbraw/zinc/33/61/84/178336184.db2.gz IJSAMCRADGMAOB-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1ccc(-c2nc([C@@H](C)C(C)(C)C)no2)cn1 ZINC000356871428 178336099 /nfs/dbraw/zinc/33/60/99/178336099.db2.gz IJSAMCRADGMAOB-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN Cc1ccc(-c2nc([C@@H](C)C(C)(C)C)no2)o1 ZINC000356871437 178335865 /nfs/dbraw/zinc/33/58/65/178335865.db2.gz IKOQPJOLFJXKDI-SECBINFHSA-N 0 0 234.299 3.788 20 0 BHADRN Cc1ccc(-c2nc([C@H](C)C(C)(C)C)no2)o1 ZINC000356871448 178336248 /nfs/dbraw/zinc/33/62/48/178336248.db2.gz IKOQPJOLFJXKDI-VIFPVBQESA-N 0 0 234.299 3.788 20 0 BHADRN Cc1occc1-c1nc([C@@H](C)C(C)(C)C)no1 ZINC000356877185 387739226 /nfs/dbraw/zinc/73/92/26/387739226.db2.gz GNEZZOJYKOATEU-MRVPVSSYSA-N 0 0 234.299 3.788 20 0 BHADRN Cc1occc1-c1nc([C@H](C)C(C)(C)C)no1 ZINC000356877188 384526226 /nfs/dbraw/zinc/52/62/26/384526226.db2.gz GNEZZOJYKOATEU-QMMMGPOBSA-N 0 0 234.299 3.788 20 0 BHADRN CSC[C@@H](C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000356877727 175514853 /nfs/dbraw/zinc/51/48/53/175514853.db2.gz ADJQIADBSYCDNG-BDAKNGLRSA-N 0 0 242.388 3.686 20 0 BHADRN CSC[C@H](C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000356877728 387737781 /nfs/dbraw/zinc/73/77/81/387737781.db2.gz ADJQIADBSYCDNG-DTWKUNHWSA-N 0 0 242.388 3.686 20 0 BHADRN CSC[C@H](C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000356877729 387739377 /nfs/dbraw/zinc/73/93/77/387739377.db2.gz ADJQIADBSYCDNG-IUCAKERBSA-N 0 0 242.388 3.686 20 0 BHADRN CSC[C@@H](C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000356877730 387739693 /nfs/dbraw/zinc/73/96/93/387739693.db2.gz ADJQIADBSYCDNG-RKDXNWHRSA-N 0 0 242.388 3.686 20 0 BHADRN Cc1ccoc1-c1nc([C@@H](C)C(C)(C)C)no1 ZINC000356878116 387738814 /nfs/dbraw/zinc/73/88/14/387738814.db2.gz JDTDRUFDJQDRJV-SECBINFHSA-N 0 0 234.299 3.788 20 0 BHADRN Cc1ccoc1-c1nc([C@H](C)C(C)(C)C)no1 ZINC000356878117 179501648 /nfs/dbraw/zinc/50/16/48/179501648.db2.gz JDTDRUFDJQDRJV-VIFPVBQESA-N 0 0 234.299 3.788 20 0 BHADRN C[C@H](c1noc(COC(C)(C)C)n1)C(C)(C)C ZINC000356880051 177056333 /nfs/dbraw/zinc/05/63/33/177056333.db2.gz LMEYCGRZTOMNIZ-SECBINFHSA-N 0 0 240.347 3.534 20 0 BHADRN C[C@@H](c1noc(COC(C)(C)C)n1)C(C)(C)C ZINC000356880054 176041351 /nfs/dbraw/zinc/04/13/51/176041351.db2.gz LMEYCGRZTOMNIZ-VIFPVBQESA-N 0 0 240.347 3.534 20 0 BHADRN CS[C@H](C)Cc1nc([C@H](C)C(C)(C)C)no1 ZINC000356880468 175565010 /nfs/dbraw/zinc/56/50/10/175565010.db2.gz FTCUDIIWYWUTPF-BDAKNGLRSA-N 0 0 242.388 3.513 20 0 BHADRN CS[C@@H](C)Cc1nc([C@@H](C)C(C)(C)C)no1 ZINC000356880469 175545746 /nfs/dbraw/zinc/54/57/46/175545746.db2.gz FTCUDIIWYWUTPF-DTWKUNHWSA-N 0 0 242.388 3.513 20 0 BHADRN CS[C@@H](C)Cc1nc([C@H](C)C(C)(C)C)no1 ZINC000356880470 387738345 /nfs/dbraw/zinc/73/83/45/387738345.db2.gz FTCUDIIWYWUTPF-IUCAKERBSA-N 0 0 242.388 3.513 20 0 BHADRN CS[C@H](C)Cc1nc([C@@H](C)C(C)(C)C)no1 ZINC000356880471 387737883 /nfs/dbraw/zinc/73/78/83/387737883.db2.gz FTCUDIIWYWUTPF-RKDXNWHRSA-N 0 0 242.388 3.513 20 0 BHADRN CC[C@@H](C)OCc1nc([C@@H](C)C(C)(C)C)no1 ZINC000356881572 387739431 /nfs/dbraw/zinc/73/94/31/387739431.db2.gz PFVLYKGODZEZEQ-NXEZZACHSA-N 0 0 240.347 3.534 20 0 BHADRN CC[C@H](C)OCc1nc([C@H](C)C(C)(C)C)no1 ZINC000356881573 171355310 /nfs/dbraw/zinc/35/53/10/171355310.db2.gz PFVLYKGODZEZEQ-UWVGGRQHSA-N 0 0 240.347 3.534 20 0 BHADRN CC[C@H](C)OCc1nc([C@@H](C)C(C)(C)C)no1 ZINC000356881574 171355181 /nfs/dbraw/zinc/35/51/81/171355181.db2.gz PFVLYKGODZEZEQ-VHSXEESVSA-N 0 0 240.347 3.534 20 0 BHADRN CC[C@@H](C)OCc1nc([C@H](C)C(C)(C)C)no1 ZINC000356881575 170765606 /nfs/dbraw/zinc/76/56/06/170765606.db2.gz PFVLYKGODZEZEQ-ZJUUUORDSA-N 0 0 240.347 3.534 20 0 BHADRN C[C@@H](c1noc(CCc2ccco2)n1)C(C)(C)C ZINC000356882434 176041428 /nfs/dbraw/zinc/04/14/28/176041428.db2.gz JYOPUXQNKAFLTO-JTQLQIEISA-N 0 0 248.326 3.597 20 0 BHADRN C[C@H](c1noc(CCc2ccco2)n1)C(C)(C)C ZINC000356882435 177056173 /nfs/dbraw/zinc/05/61/73/177056173.db2.gz JYOPUXQNKAFLTO-SNVBAGLBSA-N 0 0 248.326 3.597 20 0 BHADRN C[C@@H](c1noc(CCc2ccoc2)n1)C(C)(C)C ZINC000356883853 176041675 /nfs/dbraw/zinc/04/16/75/176041675.db2.gz NUAVVUVYVDVOKV-JTQLQIEISA-N 0 0 248.326 3.597 20 0 BHADRN C[C@H](c1noc(CCc2ccoc2)n1)C(C)(C)C ZINC000356883854 177056304 /nfs/dbraw/zinc/05/63/04/177056304.db2.gz NUAVVUVYVDVOKV-SNVBAGLBSA-N 0 0 248.326 3.597 20 0 BHADRN CCCC1(C(=O)N2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000356883889 168589620 /nfs/dbraw/zinc/58/96/20/168589620.db2.gz VRLBGFFTQHNTLY-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN CCCC1(C(=O)N2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000356883892 384528080 /nfs/dbraw/zinc/52/80/80/384528080.db2.gz VRLBGFFTQHNTLY-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN CS[C@H](C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000356884395 387739280 /nfs/dbraw/zinc/73/92/80/387739280.db2.gz OKVUIUDTVMFWHH-HTQZYQBOSA-N 0 0 228.361 3.643 20 0 BHADRN CS[C@H](C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000356884396 387739740 /nfs/dbraw/zinc/73/97/40/387739740.db2.gz OKVUIUDTVMFWHH-JGVFFNPUSA-N 0 0 228.361 3.643 20 0 BHADRN CS[C@@H](C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000356884397 387737555 /nfs/dbraw/zinc/73/75/55/387737555.db2.gz OKVUIUDTVMFWHH-SFYZADRCSA-N 0 0 228.361 3.643 20 0 BHADRN CS[C@@H](C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000356884398 387738656 /nfs/dbraw/zinc/73/86/56/387738656.db2.gz OKVUIUDTVMFWHH-YUMQZZPRSA-N 0 0 228.361 3.643 20 0 BHADRN Cc1cncc(-c2nc([C@H](C)C(C)(C)C)no2)c1 ZINC000356885163 387738305 /nfs/dbraw/zinc/73/83/05/387738305.db2.gz ANEXAMSIEBNUPA-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1cncc(-c2nc([C@@H](C)C(C)(C)C)no2)c1 ZINC000356885172 179657585 /nfs/dbraw/zinc/65/75/85/179657585.db2.gz ANEXAMSIEBNUPA-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN CSCCCc1nc([C@@H](C)C(C)(C)C)no1 ZINC000356885795 387740489 /nfs/dbraw/zinc/74/04/89/387740489.db2.gz BOGRZPKJDOIIFP-SECBINFHSA-N 0 0 242.388 3.515 20 0 BHADRN CSCCCc1nc([C@H](C)C(C)(C)C)no1 ZINC000356885797 387740926 /nfs/dbraw/zinc/74/09/26/387740926.db2.gz BOGRZPKJDOIIFP-VIFPVBQESA-N 0 0 242.388 3.515 20 0 BHADRN Cc1ccc(CN2CCCc3ccccc32)o1 ZINC000356890707 132272281 /nfs/dbraw/zinc/27/22/81/132272281.db2.gz INVQWDOUXBZCRQ-UHFFFAOYSA-N 0 0 227.307 3.541 20 0 BHADRN C[C@H](c1noc(C2=CCCC2)n1)C(C)(C)C ZINC000356893583 177055368 /nfs/dbraw/zinc/05/53/68/177055368.db2.gz NIMYVBGQTQHHBG-SECBINFHSA-N 0 0 220.316 3.787 20 0 BHADRN C[C@@H](c1noc(C2=CCCC2)n1)C(C)(C)C ZINC000356893586 176041861 /nfs/dbraw/zinc/04/18/61/176041861.db2.gz NIMYVBGQTQHHBG-VIFPVBQESA-N 0 0 220.316 3.787 20 0 BHADRN Cc1cccnc1-c1nc([C@H](C)C(C)(C)C)no1 ZINC000356893657 179356403 /nfs/dbraw/zinc/35/64/03/179356403.db2.gz NKDJYUYJNCWFJT-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1cccnc1-c1nc([C@@H](C)C(C)(C)C)no1 ZINC000356893659 179356127 /nfs/dbraw/zinc/35/61/27/179356127.db2.gz NKDJYUYJNCWFJT-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN CCc1cccnc1[C@@H](C)Nc1ccc(C)nc1 ZINC000356909735 387744382 /nfs/dbraw/zinc/74/43/82/387744382.db2.gz YQIZNVJLEITWPJ-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1cccnc1[C@H](C)Nc1ccc(C)nc1 ZINC000356909737 356809325 /nfs/dbraw/zinc/80/93/25/356809325.db2.gz YQIZNVJLEITWPJ-LBPRGKRZSA-N 0 0 241.338 3.521 20 0 BHADRN CN(Cc1ccc2ncccc2c1)c1ccccc1 ZINC000356912332 387746538 /nfs/dbraw/zinc/74/65/38/387746538.db2.gz FWUBEBKJBDCUQD-UHFFFAOYSA-N 0 0 248.329 3.871 20 0 BHADRN CN(Cc1ccc(Cl)o1)c1ccccc1 ZINC000356917030 387747282 /nfs/dbraw/zinc/74/72/82/387747282.db2.gz KQMPKKRQZZPVGN-UHFFFAOYSA-N 0 0 221.687 3.569 20 0 BHADRN CCc1nc(CSC[C@@H](C)CC(C)C)no1 ZINC000356927826 171991203 /nfs/dbraw/zinc/99/12/03/171991203.db2.gz AOGWSNKMHCQUTC-JTQLQIEISA-N 0 0 242.388 3.547 20 0 BHADRN CCc1nc(CSC[C@H](C)CC(C)C)no1 ZINC000356927827 171991297 /nfs/dbraw/zinc/99/12/97/171991297.db2.gz AOGWSNKMHCQUTC-SNVBAGLBSA-N 0 0 242.388 3.547 20 0 BHADRN CC[C@@H](C)c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000356935010 387749493 /nfs/dbraw/zinc/74/94/93/387749493.db2.gz KQJQQQVRVPJCNM-GHMZBOCLSA-N 0 0 246.310 3.723 20 0 BHADRN CC[C@@H](C)c1nc([C@H](C)Oc2ccccc2)no1 ZINC000356935012 387749333 /nfs/dbraw/zinc/74/93/33/387749333.db2.gz KQJQQQVRVPJCNM-MNOVXSKESA-N 0 0 246.310 3.723 20 0 BHADRN CC[C@H](C)c1nc([C@H](C)Oc2ccccc2)no1 ZINC000356935014 387750081 /nfs/dbraw/zinc/75/00/81/387750081.db2.gz KQJQQQVRVPJCNM-QWRGUYRKSA-N 0 0 246.310 3.723 20 0 BHADRN CC[C@H](C)c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000356935017 387749430 /nfs/dbraw/zinc/74/94/30/387749430.db2.gz KQJQQQVRVPJCNM-WDEREUQCSA-N 0 0 246.310 3.723 20 0 BHADRN c1cc(CN2CC3(CC3)c3ccccc32)cs1 ZINC000356936799 183451636 /nfs/dbraw/zinc/45/16/36/183451636.db2.gz MWFFAKYPADXKJE-UHFFFAOYSA-N 0 0 241.359 3.800 20 0 BHADRN CCc1nc(CSCCCC(C)(C)C)no1 ZINC000356939508 356810303 /nfs/dbraw/zinc/81/03/03/356810303.db2.gz UZQCGVKSDYSLJG-UHFFFAOYSA-N 0 0 242.388 3.692 20 0 BHADRN Cc1ccc(CN2CC3(CC3)c3ccccc32)o1 ZINC000356940497 178563880 /nfs/dbraw/zinc/56/38/80/178563880.db2.gz YKRSCDKMRHJBFV-UHFFFAOYSA-N 0 0 239.318 3.640 20 0 BHADRN Cc1ccoc1CN1CC2(CC2)c2ccccc21 ZINC000356945347 179516105 /nfs/dbraw/zinc/51/61/05/179516105.db2.gz IHIDMRVVOMWEHI-UHFFFAOYSA-N 0 0 239.318 3.640 20 0 BHADRN CC(C)(C)CCCSCc1ccon1 ZINC000356947439 387751494 /nfs/dbraw/zinc/75/14/94/387751494.db2.gz MRXSLVXIYAFJQT-UHFFFAOYSA-N 0 0 213.346 3.734 20 0 BHADRN COC(C)(C)c1nc(CC(C)(C)C)cs1 ZINC000356952193 387752478 /nfs/dbraw/zinc/75/24/78/387752478.db2.gz SEUQEIMTCQBLEH-UHFFFAOYSA-N 0 0 227.373 3.613 20 0 BHADRN c1cc(-c2noc([C@@H]3CC34CCCC4)n2)cs1 ZINC000356952474 183333208 /nfs/dbraw/zinc/33/32/08/183333208.db2.gz DEMMGAXKHGKUJG-JTQLQIEISA-N 0 0 246.335 3.846 20 0 BHADRN c1cc(-c2noc([C@H]3CC34CCCC4)n2)cs1 ZINC000356952476 183333455 /nfs/dbraw/zinc/33/34/55/183333455.db2.gz DEMMGAXKHGKUJG-SNVBAGLBSA-N 0 0 246.335 3.846 20 0 BHADRN CCN(Cc1ccccc1)[C@H](C)c1ncc(C)o1 ZINC000356954145 356810322 /nfs/dbraw/zinc/81/03/22/356810322.db2.gz BGNTVTBCVHMIBZ-CYBMUJFWSA-N 0 0 244.338 3.566 20 0 BHADRN CCN(Cc1ccccc1)[C@@H](C)c1ncc(C)o1 ZINC000356954147 356810593 /nfs/dbraw/zinc/81/05/93/356810593.db2.gz BGNTVTBCVHMIBZ-ZDUSSCGKSA-N 0 0 244.338 3.566 20 0 BHADRN Cc1noc(-c2ccc(SC(C)C)cc2)n1 ZINC000356954802 180459352 /nfs/dbraw/zinc/45/93/52/180459352.db2.gz CMTZQXAJYDWGLY-UHFFFAOYSA-N 0 0 234.324 3.546 20 0 BHADRN CCCCC1CCC(c2nc(C)no2)CC1 ZINC000356955531 387754631 /nfs/dbraw/zinc/75/46/31/387754631.db2.gz HAJMLXBHZKLIAI-UHFFFAOYSA-N 0 0 222.332 3.842 20 0 BHADRN Cc1noc(C2(c3cccc(C)c3)CCCC2)n1 ZINC000356955537 179050838 /nfs/dbraw/zinc/05/08/38/179050838.db2.gz HKVNYBJVUKGEEO-UHFFFAOYSA-N 0 0 242.322 3.547 20 0 BHADRN COC(C)(C)c1nc(C2CCCC2)cs1 ZINC000356955618 387754514 /nfs/dbraw/zinc/75/45/14/387754514.db2.gz YVYIWOUYTYVIHD-UHFFFAOYSA-N 0 0 225.357 3.682 20 0 BHADRN Cc1noc(C2(c3cccs3)CCCCC2)n1 ZINC000356956042 387753570 /nfs/dbraw/zinc/75/35/70/387753570.db2.gz IVWKLZALQBVNKQ-UHFFFAOYSA-N 0 0 248.351 3.690 20 0 BHADRN CCCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000356956969 387753653 /nfs/dbraw/zinc/75/36/53/387753653.db2.gz RKZTYAGFTATFIP-AWEZNQCLSA-N 0 0 245.366 3.715 20 0 BHADRN Cc1nc(C(C)C)sc1C(=O)OC(C)(C)C ZINC000356957847 179896435 /nfs/dbraw/zinc/89/64/35/179896435.db2.gz BGDFAQGBCBFVIZ-UHFFFAOYSA-N 0 0 241.356 3.530 20 0 BHADRN Cc1noc(/C=C\c2cccc3ccccc23)n1 ZINC000356958730 384638261 /nfs/dbraw/zinc/63/82/61/384638261.db2.gz VCAMYFUOMUXQMY-KTKRTIGZSA-N 0 0 236.274 3.702 20 0 BHADRN Cc1noc(C2CCC(c3ccccc3)CC2)n1 ZINC000356959098 387755153 /nfs/dbraw/zinc/75/51/53/387755153.db2.gz XHDHDQILPIVQLV-UHFFFAOYSA-N 0 0 242.322 3.819 20 0 BHADRN CCCCc1nc(-c2cccc(OC)n2)cs1 ZINC000356961432 187552131 /nfs/dbraw/zinc/55/21/31/187552131.db2.gz IKOHAOVYSNIPJI-UHFFFAOYSA-N 0 0 248.351 3.556 20 0 BHADRN COC(C)(C)c1nc(CCC(C)C)cs1 ZINC000356967412 387756751 /nfs/dbraw/zinc/75/67/51/387756751.db2.gz VQASRFNLISGTJT-UHFFFAOYSA-N 0 0 227.373 3.613 20 0 BHADRN COc1cccc(-c2csc(C(C)(C)C)n2)n1 ZINC000356967442 175235399 /nfs/dbraw/zinc/23/53/99/175235399.db2.gz VUNNOHWNGHWCAU-UHFFFAOYSA-N 0 0 248.351 3.511 20 0 BHADRN CC/C(=C\c1nc(C)no1)c1ccc(C)cc1 ZINC000356968020 387757720 /nfs/dbraw/zinc/75/77/20/387757720.db2.gz AVVBGLAUEZBKTE-FMIVXFBMSA-N 0 0 228.295 3.637 20 0 BHADRN CCC(CC)c1nc(-c2cc(C)cc(C)n2)no1 ZINC000356968218 168410679 /nfs/dbraw/zinc/41/06/79/168410679.db2.gz AUPPSVOLJBPAIF-UHFFFAOYSA-N 0 0 245.326 3.652 20 0 BHADRN Cc1cnc([C@@H](C)N2C[C@H](C)c3ccccc32)o1 ZINC000356969171 179644801 /nfs/dbraw/zinc/64/48/01/179644801.db2.gz CBYLUZSGKZJTIM-CMPLNLGQSA-N 0 0 242.322 3.668 20 0 BHADRN Cc1cnc([C@H](C)N2C[C@H](C)c3ccccc32)o1 ZINC000356969172 179650621 /nfs/dbraw/zinc/65/06/21/179650621.db2.gz CBYLUZSGKZJTIM-JQWIXIFHSA-N 0 0 242.322 3.668 20 0 BHADRN Cc1cnc([C@H](C)N2C[C@@H](C)c3ccccc32)o1 ZINC000356969173 387756073 /nfs/dbraw/zinc/75/60/73/387756073.db2.gz CBYLUZSGKZJTIM-PWSUYJOCSA-N 0 0 242.322 3.668 20 0 BHADRN Cc1cnc([C@@H](C)N2C[C@@H](C)c3ccccc32)o1 ZINC000356969174 387757819 /nfs/dbraw/zinc/75/78/19/387757819.db2.gz CBYLUZSGKZJTIM-ZYHUDNBSSA-N 0 0 242.322 3.668 20 0 BHADRN Cc1noc(-c2oc3ccc(Cl)cc3c2C)n1 ZINC000356969176 384652020 /nfs/dbraw/zinc/65/20/20/384652020.db2.gz CCMDNHFHGVADMQ-UHFFFAOYSA-N 0 0 248.669 3.753 20 0 BHADRN C[C@@H]1CCN(Cc2ccco2)c2ccccc21 ZINC000356970651 132272325 /nfs/dbraw/zinc/27/23/25/132272325.db2.gz BQUURTZZGFKQDH-GFCCVEGCSA-N 0 0 227.307 3.793 20 0 BHADRN C[C@H]1CCN(Cc2ccco2)c2ccccc21 ZINC000356970654 132332072 /nfs/dbraw/zinc/33/20/72/132332072.db2.gz BQUURTZZGFKQDH-LBPRGKRZSA-N 0 0 227.307 3.793 20 0 BHADRN Cc1noc(-c2sc3ccc(F)cc3c2C)n1 ZINC000356971741 387757761 /nfs/dbraw/zinc/75/77/61/387757761.db2.gz XOKCPMJIGCPFGZ-UHFFFAOYSA-N 0 0 248.282 3.707 20 0 BHADRN CC/C=C(/C)c1nc(-c2cc(C)cc(C)n2)no1 ZINC000356972548 387757880 /nfs/dbraw/zinc/75/78/80/387757880.db2.gz GJOCXVWSXUVGRO-POHAHGRESA-N 0 0 243.310 3.562 20 0 BHADRN CC/C=C(\C)c1nc(-c2cc(C)cc(C)n2)no1 ZINC000356972559 387756593 /nfs/dbraw/zinc/75/65/93/387756593.db2.gz GJOCXVWSXUVGRO-UXBLZVDNSA-N 0 0 243.310 3.562 20 0 BHADRN Cc1noc(-c2oc3c(c2C)c(C)ccc3C)n1 ZINC000356974006 387757353 /nfs/dbraw/zinc/75/73/53/387757353.db2.gz IZOIDFPGRQIRFR-UHFFFAOYSA-N 0 0 242.278 3.716 20 0 BHADRN Cc1cc(C)cc(N(C)Cc2cccnc2C)c1 ZINC000356974229 387756897 /nfs/dbraw/zinc/75/68/97/387756897.db2.gz GNMPODZNVNZXJO-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1noc(-c2oc3c(cccc3Cl)c2C)n1 ZINC000356975780 384668188 /nfs/dbraw/zinc/66/81/88/384668188.db2.gz KYKYDKAXYRKDBM-UHFFFAOYSA-N 0 0 248.669 3.753 20 0 BHADRN CC[C@@H](C)c1nc(-c2cccc(OC)n2)cs1 ZINC000356978710 387758613 /nfs/dbraw/zinc/75/86/13/387758613.db2.gz MMYGXZYEQRHDPU-SECBINFHSA-N 0 0 248.351 3.727 20 0 BHADRN CC[C@H](C)c1nc(-c2cccc(OC)n2)cs1 ZINC000356978715 387758706 /nfs/dbraw/zinc/75/87/06/387758706.db2.gz MMYGXZYEQRHDPU-VIFPVBQESA-N 0 0 248.351 3.727 20 0 BHADRN CCc1ccc(/C(C)=C\c2nc(C)no2)cc1 ZINC000356978795 387760226 /nfs/dbraw/zinc/76/02/26/387760226.db2.gz OKXMXDWWULQJDF-KTKRTIGZSA-N 0 0 228.295 3.501 20 0 BHADRN CCc1ccc(/C(C)=C/c2nc(C)no2)cc1 ZINC000356978797 171781804 /nfs/dbraw/zinc/78/18/04/171781804.db2.gz OKXMXDWWULQJDF-MDZDMXLPSA-N 0 0 228.295 3.501 20 0 BHADRN Cc1csc(CN(C)c2cc(C)cc(C)c2)n1 ZINC000356979163 177904525 /nfs/dbraw/zinc/90/45/25/177904525.db2.gz LHDAOIXXKYZOQA-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN Cc1noc([C@@H](C)c2ccc3ccccc3c2)n1 ZINC000356980235 387759859 /nfs/dbraw/zinc/75/98/59/387759859.db2.gz OSDPMXNYZCWNDE-JTQLQIEISA-N 0 0 238.290 3.683 20 0 BHADRN Cc1noc([C@H](C)c2ccc3ccccc3c2)n1 ZINC000356980236 387759823 /nfs/dbraw/zinc/75/98/23/387759823.db2.gz OSDPMXNYZCWNDE-SNVBAGLBSA-N 0 0 238.290 3.683 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@H](C)C1CCC1 ZINC000356980375 387760100 /nfs/dbraw/zinc/76/01/00/387760100.db2.gz QLOJLUIUSFFQLM-GFCCVEGCSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccccc1NC(=O)N(C)[C@@H](C)C1CCC1 ZINC000356980376 387760773 /nfs/dbraw/zinc/76/07/73/387760773.db2.gz QLOJLUIUSFFQLM-LBPRGKRZSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1noc(/C=C/c2ccc(C)c(Cl)c2)n1 ZINC000356981773 387759753 /nfs/dbraw/zinc/75/97/53/387759753.db2.gz SHLAYSSSVQGABT-AATRIKPKSA-N 0 0 234.686 3.510 20 0 BHADRN Cc1noc(/C=C\c2ccc(C)c(Cl)c2)n1 ZINC000356981784 387759441 /nfs/dbraw/zinc/75/94/41/387759441.db2.gz SHLAYSSSVQGABT-WAYWQWQTSA-N 0 0 234.686 3.510 20 0 BHADRN C[C@@H]1CCN(Cc2cccn2C)c2ccccc21 ZINC000356982553 132272554 /nfs/dbraw/zinc/27/25/54/132272554.db2.gz OTVXZDKDKNFECW-CYBMUJFWSA-N 0 0 240.350 3.539 20 0 BHADRN C[C@H]1CCN(Cc2cccn2C)c2ccccc21 ZINC000356982559 132272473 /nfs/dbraw/zinc/27/24/73/132272473.db2.gz OTVXZDKDKNFECW-ZDUSSCGKSA-N 0 0 240.350 3.539 20 0 BHADRN C[C@@H]1CN(Cc2ccsc2)c2ccccc21 ZINC000356986054 176309418 /nfs/dbraw/zinc/30/94/18/176309418.db2.gz SZJFMJJHAZFKKM-LLVKDONJSA-N 0 0 229.348 3.872 20 0 BHADRN C[C@H]1CN(Cc2ccsc2)c2ccccc21 ZINC000356986066 177267970 /nfs/dbraw/zinc/26/79/70/177267970.db2.gz SZJFMJJHAZFKKM-NSHDSACASA-N 0 0 229.348 3.872 20 0 BHADRN C/C(=C\c1nc(C)no1)c1ccccc1Cl ZINC000356986914 188238509 /nfs/dbraw/zinc/23/85/09/188238509.db2.gz YFNBNPDLJKAZSP-BQYQJAHWSA-N 0 0 234.686 3.592 20 0 BHADRN C/C=C\CSCc1csc([C@H](C)OC)n1 ZINC000356987619 387762045 /nfs/dbraw/zinc/76/20/45/387762045.db2.gz RCIADXPPIVAOPR-WBSSQXGSSA-N 0 0 243.397 3.660 20 0 BHADRN C/C=C\CSCc1csc([C@@H](C)OC)n1 ZINC000356987621 188066429 /nfs/dbraw/zinc/06/64/29/188066429.db2.gz RCIADXPPIVAOPR-XRVBUDJMSA-N 0 0 243.397 3.660 20 0 BHADRN Cc1ccoc1CN1C[C@@H](C)c2ccccc21 ZINC000356990145 387762809 /nfs/dbraw/zinc/76/28/09/387762809.db2.gz SOIGHQOICXRDNH-GFCCVEGCSA-N 0 0 227.307 3.712 20 0 BHADRN Cc1ccoc1CN1C[C@H](C)c2ccccc21 ZINC000356990149 387761512 /nfs/dbraw/zinc/76/15/12/387761512.db2.gz SOIGHQOICXRDNH-LBPRGKRZSA-N 0 0 227.307 3.712 20 0 BHADRN C[C@@H]1CN(Cc2cccc(O)c2)c2ccccc21 ZINC000356991731 176306212 /nfs/dbraw/zinc/30/62/12/176306212.db2.gz AFRWFNQPDAFLRU-GFCCVEGCSA-N 0 0 239.318 3.516 20 0 BHADRN C[C@H]1CN(Cc2cccc(O)c2)c2ccccc21 ZINC000356991732 177264492 /nfs/dbraw/zinc/26/44/92/177264492.db2.gz AFRWFNQPDAFLRU-LBPRGKRZSA-N 0 0 239.318 3.516 20 0 BHADRN C[C@@H](c1noc(-c2ccco2)n1)c1cccs1 ZINC000356995499 176040203 /nfs/dbraw/zinc/04/02/03/176040203.db2.gz BJYLFDARMRDSQN-MRVPVSSYSA-N 0 0 246.291 3.543 20 0 BHADRN C[C@H](c1noc(-c2ccco2)n1)c1cccs1 ZINC000356995500 177055652 /nfs/dbraw/zinc/05/56/52/177055652.db2.gz BJYLFDARMRDSQN-QMMMGPOBSA-N 0 0 246.291 3.543 20 0 BHADRN CCCCc1nc([C@H](C)c2cccs2)no1 ZINC000356995604 169027841 /nfs/dbraw/zinc/02/78/41/169027841.db2.gz BQFCXIZSZGQREX-SECBINFHSA-N 0 0 236.340 3.626 20 0 BHADRN CCCCc1nc([C@@H](C)c2cccs2)no1 ZINC000356995605 169025858 /nfs/dbraw/zinc/02/58/58/169025858.db2.gz BQFCXIZSZGQREX-VIFPVBQESA-N 0 0 236.340 3.626 20 0 BHADRN C[C@H](c1cccs1)c1noc(C2=CCCC2)n1 ZINC000356995636 176041361 /nfs/dbraw/zinc/04/13/61/176041361.db2.gz BTXRRLCLISXKFT-SECBINFHSA-N 0 0 246.335 3.850 20 0 BHADRN C[C@@H](c1cccs1)c1noc(C2=CCCC2)n1 ZINC000356995637 177055638 /nfs/dbraw/zinc/05/56/38/177055638.db2.gz BTXRRLCLISXKFT-VIFPVBQESA-N 0 0 246.335 3.850 20 0 BHADRN CCC1(c2nc([C@H](C)c3cccs3)no2)CC1 ZINC000356996595 387762499 /nfs/dbraw/zinc/76/24/99/387762499.db2.gz DIPANCRYFVXPIX-SECBINFHSA-N 0 0 248.351 3.725 20 0 BHADRN CCC1(c2nc([C@@H](C)c3cccs3)no2)CC1 ZINC000356996596 387762538 /nfs/dbraw/zinc/76/25/38/387762538.db2.gz DIPANCRYFVXPIX-VIFPVBQESA-N 0 0 248.351 3.725 20 0 BHADRN Cc1ccc2c(c1)CN(c1ccncc1Cl)C2 ZINC000356999146 387761489 /nfs/dbraw/zinc/76/14/89/387761489.db2.gz OVNWQWHBSCGPQD-UHFFFAOYSA-N 0 0 244.725 3.564 20 0 BHADRN C[C@H](c1cccs1)c1noc(CCC2CC2)n1 ZINC000356999233 176041387 /nfs/dbraw/zinc/04/13/87/176041387.db2.gz IZNKMBARRDANNH-SECBINFHSA-N 0 0 248.351 3.626 20 0 BHADRN C[C@@H](c1cccs1)c1noc(CCC2CC2)n1 ZINC000356999234 177056315 /nfs/dbraw/zinc/05/63/15/177056315.db2.gz IZNKMBARRDANNH-VIFPVBQESA-N 0 0 248.351 3.626 20 0 BHADRN C[C@H](c1cccs1)c1noc(C2CCCC2)n1 ZINC000357000624 176041567 /nfs/dbraw/zinc/04/15/67/176041567.db2.gz KRYUHTFGMLWRCO-SECBINFHSA-N 0 0 248.351 3.941 20 0 BHADRN C[C@@H](c1cccs1)c1noc(C2CCCC2)n1 ZINC000357000628 177055400 /nfs/dbraw/zinc/05/54/00/177055400.db2.gz KRYUHTFGMLWRCO-VIFPVBQESA-N 0 0 248.351 3.941 20 0 BHADRN C[C@@H]1CCN(Cc2ccn(C)c2)c2ccccc21 ZINC000357004847 132272501 /nfs/dbraw/zinc/27/25/01/132272501.db2.gz ZDKMHVHXFPTVRP-CYBMUJFWSA-N 0 0 240.350 3.539 20 0 BHADRN C[C@H]1CCN(Cc2ccn(C)c2)c2ccccc21 ZINC000357004848 132272475 /nfs/dbraw/zinc/27/24/75/132272475.db2.gz ZDKMHVHXFPTVRP-ZDUSSCGKSA-N 0 0 240.350 3.539 20 0 BHADRN C[C@H](c1cccs1)c1noc([C@@H]2CC2(C)C)n1 ZINC000357005884 176041605 /nfs/dbraw/zinc/04/16/05/176041605.db2.gz VCVPLVMEOHMYFT-BDAKNGLRSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@@H](c1cccs1)c1noc([C@H]2CC2(C)C)n1 ZINC000357005886 177056061 /nfs/dbraw/zinc/05/60/61/177056061.db2.gz VCVPLVMEOHMYFT-DTWKUNHWSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@@H](c1cccs1)c1noc([C@@H]2CC2(C)C)n1 ZINC000357005888 177056089 /nfs/dbraw/zinc/05/60/89/177056089.db2.gz VCVPLVMEOHMYFT-IUCAKERBSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@H](c1cccs1)c1noc([C@H]2CC2(C)C)n1 ZINC000357005890 176042129 /nfs/dbraw/zinc/04/21/29/176042129.db2.gz VCVPLVMEOHMYFT-RKDXNWHRSA-N 0 0 248.351 3.796 20 0 BHADRN C[C@H](c1cccs1)c1noc(CC2CCC2)n1 ZINC000357009985 176042178 /nfs/dbraw/zinc/04/21/78/176042178.db2.gz AGQXXLSHFXPJNB-SECBINFHSA-N 0 0 248.351 3.626 20 0 BHADRN C[C@@H](c1cccs1)c1noc(CC2CCC2)n1 ZINC000357009987 177056200 /nfs/dbraw/zinc/05/62/00/177056200.db2.gz AGQXXLSHFXPJNB-VIFPVBQESA-N 0 0 248.351 3.626 20 0 BHADRN CC[C@@H](C)c1nc([C@@H](C)c2cccs2)no1 ZINC000357014877 170806575 /nfs/dbraw/zinc/80/65/75/170806575.db2.gz KHBNDEWPHLAGLJ-BDAKNGLRSA-N 0 0 236.340 3.796 20 0 BHADRN CC[C@H](C)c1nc([C@H](C)c2cccs2)no1 ZINC000357014879 386689298 /nfs/dbraw/zinc/68/92/98/386689298.db2.gz KHBNDEWPHLAGLJ-DTWKUNHWSA-N 0 0 236.340 3.796 20 0 BHADRN CC[C@H](C)c1nc([C@@H](C)c2cccs2)no1 ZINC000357014881 171414320 /nfs/dbraw/zinc/41/43/20/171414320.db2.gz KHBNDEWPHLAGLJ-IUCAKERBSA-N 0 0 236.340 3.796 20 0 BHADRN CC[C@@H](C)c1nc([C@H](C)c2cccs2)no1 ZINC000357014887 386690221 /nfs/dbraw/zinc/69/02/21/386690221.db2.gz KHBNDEWPHLAGLJ-RKDXNWHRSA-N 0 0 236.340 3.796 20 0 BHADRN C[C@H](c1cccs1)c1noc(C2(C)CCC2)n1 ZINC000357015580 176041438 /nfs/dbraw/zinc/04/14/38/176041438.db2.gz LBOGAOUYVAXCBO-SECBINFHSA-N 0 0 248.351 3.725 20 0 BHADRN C[C@@H](c1cccs1)c1noc(C2(C)CCC2)n1 ZINC000357015583 177055194 /nfs/dbraw/zinc/05/51/94/177055194.db2.gz LBOGAOUYVAXCBO-VIFPVBQESA-N 0 0 248.351 3.725 20 0 BHADRN C[C@@H](c1noc(-c2ccoc2)n1)c1cccs1 ZINC000357016225 176040046 /nfs/dbraw/zinc/04/00/46/176040046.db2.gz MGKGNPSUCIBION-MRVPVSSYSA-N 0 0 246.291 3.543 20 0 BHADRN C[C@H](c1noc(-c2ccoc2)n1)c1cccs1 ZINC000357016226 177055561 /nfs/dbraw/zinc/05/55/61/177055561.db2.gz MGKGNPSUCIBION-QMMMGPOBSA-N 0 0 246.291 3.543 20 0 BHADRN C/C=C/C=C\c1nc([C@@H](C)c2cccs2)no1 ZINC000357016267 187213538 /nfs/dbraw/zinc/21/35/38/187213538.db2.gz MPJKMPBTLCGJPH-DFISQAMJSA-N 0 0 246.335 3.872 20 0 BHADRN C/C=C/C=C\c1nc([C@H](C)c2cccs2)no1 ZINC000357016268 386688035 /nfs/dbraw/zinc/68/80/35/386688035.db2.gz MPJKMPBTLCGJPH-JWJSZZMMSA-N 0 0 246.335 3.872 20 0 BHADRN C/C=C/C=C/c1nc([C@@H](C)c2cccs2)no1 ZINC000357016269 187213878 /nfs/dbraw/zinc/21/38/78/187213878.db2.gz MPJKMPBTLCGJPH-RDBBTICPSA-N 0 0 246.335 3.872 20 0 BHADRN C/C=C/C=C/c1nc([C@H](C)c2cccs2)no1 ZINC000357016270 187891986 /nfs/dbraw/zinc/89/19/86/187891986.db2.gz MPJKMPBTLCGJPH-UEDRSEJPSA-N 0 0 246.335 3.872 20 0 BHADRN CCCCSCc1ccc(-n2ccnc2)cc1 ZINC000357030249 356812580 /nfs/dbraw/zinc/81/25/80/356812580.db2.gz UNXGLMWGYDGUHZ-UHFFFAOYSA-N 0 0 246.379 3.906 20 0 BHADRN CC[C@]1(C)C[C@@H]1c1nc(CC(C)(C)C)no1 ZINC000357032435 171720095 /nfs/dbraw/zinc/72/00/95/171720095.db2.gz WSITTWJVTXOOJQ-NOZJJQNGSA-N 0 0 222.332 3.562 20 0 BHADRN CC[C@@]1(C)C[C@@H]1c1nc(CC(C)(C)C)no1 ZINC000357032438 187377258 /nfs/dbraw/zinc/37/72/58/187377258.db2.gz WSITTWJVTXOOJQ-RNCFNFMXSA-N 0 0 222.332 3.562 20 0 BHADRN CC[C@]1(C)C[C@H]1c1nc(CC(C)(C)C)no1 ZINC000357032439 171721490 /nfs/dbraw/zinc/72/14/90/171721490.db2.gz WSITTWJVTXOOJQ-TVQRCGJNSA-N 0 0 222.332 3.562 20 0 BHADRN CC[C@@]1(C)C[C@H]1c1nc(CC(C)(C)C)no1 ZINC000357032440 171208328 /nfs/dbraw/zinc/20/83/28/171208328.db2.gz WSITTWJVTXOOJQ-ZANVPECISA-N 0 0 222.332 3.562 20 0 BHADRN Cc1ccccc1C(C)(C)NC(=O)CC1(C)CC1 ZINC000357034969 179253610 /nfs/dbraw/zinc/25/36/10/179253610.db2.gz FCSRXIQVWJXNCA-UHFFFAOYSA-N 0 0 245.366 3.537 20 0 BHADRN C/C=C\CSCc1ccc(-n2ccnc2)cc1 ZINC000357037553 187213865 /nfs/dbraw/zinc/21/38/65/187213865.db2.gz MJRNESNDWRTNTN-IHWYPQMZSA-N 0 0 244.363 3.682 20 0 BHADRN C/C=C/CSCc1ccc(-n2ccnc2)cc1 ZINC000357037554 386696153 /nfs/dbraw/zinc/69/61/53/386696153.db2.gz MJRNESNDWRTNTN-NSCUHMNNSA-N 0 0 244.363 3.682 20 0 BHADRN CCC[C@@H](C)Cc1nc([C@H]2CCCS2)no1 ZINC000357040621 538822244 /nfs/dbraw/zinc/82/22/44/538822244.db2.gz BWWMRNQONPGIOW-NXEZZACHSA-N 0 0 240.372 3.616 20 0 BHADRN CCC[C@H](C)Cc1nc([C@@H]2CCCS2)no1 ZINC000357040626 538823529 /nfs/dbraw/zinc/82/35/29/538823529.db2.gz BWWMRNQONPGIOW-UWVGGRQHSA-N 0 0 240.372 3.616 20 0 BHADRN CCC[C@H](C)Cc1nc([C@H]2CCCS2)no1 ZINC000357040631 538823027 /nfs/dbraw/zinc/82/30/27/538823027.db2.gz BWWMRNQONPGIOW-VHSXEESVSA-N 0 0 240.372 3.616 20 0 BHADRN CCC[C@@H](C)Cc1nc([C@@H]2CCCS2)no1 ZINC000357040636 538822927 /nfs/dbraw/zinc/82/29/27/538822927.db2.gz BWWMRNQONPGIOW-ZJUUUORDSA-N 0 0 240.372 3.616 20 0 BHADRN CCC[C@@H](CC)S[C@H](C)c1nnc(C)o1 ZINC000357045955 169381476 /nfs/dbraw/zinc/38/14/76/169381476.db2.gz CKCAVQXOTCWCME-PSASIEDQSA-N 0 0 228.361 3.751 20 0 BHADRN CCC[C@H](CC)S[C@H](C)c1nnc(C)o1 ZINC000357045958 386699924 /nfs/dbraw/zinc/69/99/24/386699924.db2.gz CKCAVQXOTCWCME-SCZZXKLOSA-N 0 0 228.361 3.751 20 0 BHADRN CCC[C@@H](CC)S[C@@H](C)c1nnc(C)o1 ZINC000357045961 169380988 /nfs/dbraw/zinc/38/09/88/169380988.db2.gz CKCAVQXOTCWCME-WCBMZHEXSA-N 0 0 228.361 3.751 20 0 BHADRN CCC[C@H](CC)S[C@@H](C)c1nnc(C)o1 ZINC000357045964 386700961 /nfs/dbraw/zinc/70/09/61/386700961.db2.gz CKCAVQXOTCWCME-WPRPVWTQSA-N 0 0 228.361 3.751 20 0 BHADRN CCC[C@@H](CC)SCc1ncnn1C(C)C ZINC000357054786 169381037 /nfs/dbraw/zinc/38/10/37/169381037.db2.gz MCLLRTBSEXHKQA-LLVKDONJSA-N 0 0 241.404 3.671 20 0 BHADRN CCC[C@H](CC)SCc1ncnn1C(C)C ZINC000357054787 386703616 /nfs/dbraw/zinc/70/36/16/386703616.db2.gz MCLLRTBSEXHKQA-NSHDSACASA-N 0 0 241.404 3.671 20 0 BHADRN CCC[C@@H](CC)SCCCc1nc(C)no1 ZINC000357065783 169381297 /nfs/dbraw/zinc/38/12/97/169381297.db2.gz ACSPNIPCSLABMC-LLVKDONJSA-N 0 0 242.388 3.623 20 0 BHADRN CCC[C@H](CC)SCCCc1nc(C)no1 ZINC000357065784 386706489 /nfs/dbraw/zinc/70/64/89/386706489.db2.gz ACSPNIPCSLABMC-NSHDSACASA-N 0 0 242.388 3.623 20 0 BHADRN CCC[C@@H](CC)SCCCCC(=O)N(C)C ZINC000357067197 169381026 /nfs/dbraw/zinc/38/10/26/169381026.db2.gz DUSLULGTQDWNMP-GFCCVEGCSA-N 0 0 245.432 3.557 20 0 BHADRN CCC[C@H](CC)SCCCCC(=O)N(C)C ZINC000357067198 386707260 /nfs/dbraw/zinc/70/72/60/386707260.db2.gz DUSLULGTQDWNMP-LBPRGKRZSA-N 0 0 245.432 3.557 20 0 BHADRN CC(C)(C)CCc1nc([C@H]2CCCS2)no1 ZINC000357070156 538825042 /nfs/dbraw/zinc/82/50/42/538825042.db2.gz ABLGTFKRGJMUKS-SECBINFHSA-N 0 0 240.372 3.616 20 0 BHADRN CC(C)(C)CCc1nc([C@@H]2CCCS2)no1 ZINC000357070160 538825350 /nfs/dbraw/zinc/82/53/50/538825350.db2.gz ABLGTFKRGJMUKS-VIFPVBQESA-N 0 0 240.372 3.616 20 0 BHADRN CCC[C@@H](CC)SCc1cnoc1C ZINC000357073661 169380990 /nfs/dbraw/zinc/38/09/90/169380990.db2.gz RRSVYUPKJCXITI-LLVKDONJSA-N 0 0 213.346 3.795 20 0 BHADRN CCC[C@H](CC)SCc1cnoc1C ZINC000357073676 386709890 /nfs/dbraw/zinc/70/98/90/386709890.db2.gz RRSVYUPKJCXITI-NSHDSACASA-N 0 0 213.346 3.795 20 0 BHADRN CCC[C@@H](CC)SCCCn1ccnc1C ZINC000357076934 169381372 /nfs/dbraw/zinc/38/13/72/169381372.db2.gz RPEWHVUXJNRTNT-CYBMUJFWSA-N 0 0 240.416 3.894 20 0 BHADRN CCC[C@H](CC)SCCCn1ccnc1C ZINC000357076936 386710620 /nfs/dbraw/zinc/71/06/20/386710620.db2.gz RPEWHVUXJNRTNT-ZDUSSCGKSA-N 0 0 240.416 3.894 20 0 BHADRN CCC(C)(C)Cc1nc([C@H]2CCCS2)no1 ZINC000357077089 538824069 /nfs/dbraw/zinc/82/40/69/538824069.db2.gz JLCBENUXGBQFRB-SECBINFHSA-N 0 0 240.372 3.616 20 0 BHADRN CCC(C)(C)Cc1nc([C@@H]2CCCS2)no1 ZINC000357077090 538824168 /nfs/dbraw/zinc/82/41/68/538824168.db2.gz JLCBENUXGBQFRB-VIFPVBQESA-N 0 0 240.372 3.616 20 0 BHADRN CCCC(CCC)c1nc([C@H]2CCCO2)no1 ZINC000357077167 168584869 /nfs/dbraw/zinc/58/48/69/168584869.db2.gz ABSLQSKAYWUACU-LLVKDONJSA-N 0 0 238.331 3.605 20 0 BHADRN CCCC(CCC)c1nc([C@@H]2CCCO2)no1 ZINC000357077168 386709253 /nfs/dbraw/zinc/70/92/53/386709253.db2.gz ABSLQSKAYWUACU-NSHDSACASA-N 0 0 238.331 3.605 20 0 BHADRN C[C@@H]1CC[C@@H](c2nc([C@@H]3CCCS3)no2)C1 ZINC000357077202 538824843 /nfs/dbraw/zinc/82/48/43/538824843.db2.gz AEZNGUCVUACSNA-BBBLOLIVSA-N 0 0 238.356 3.541 20 0 BHADRN C[C@@H]1CC[C@H](c2nc([C@H]3CCCS3)no2)C1 ZINC000357077204 538824411 /nfs/dbraw/zinc/82/44/11/538824411.db2.gz AEZNGUCVUACSNA-KXUCPTDWSA-N 0 0 238.356 3.541 20 0 BHADRN C[C@@H]1CC[C@@H](c2nc([C@H]3CCCS3)no2)C1 ZINC000357077206 538825322 /nfs/dbraw/zinc/82/53/22/538825322.db2.gz AEZNGUCVUACSNA-OPRDCNLKSA-N 0 0 238.356 3.541 20 0 BHADRN C[C@@H]1CC[C@H](c2nc([C@@H]3CCCS3)no2)C1 ZINC000357077210 538825191 /nfs/dbraw/zinc/82/51/91/538825191.db2.gz AEZNGUCVUACSNA-UTLUCORTSA-N 0 0 238.356 3.541 20 0 BHADRN CCC[C@@H](CC)SCc1ccnc(C)n1 ZINC000357081841 169381194 /nfs/dbraw/zinc/38/11/94/169381194.db2.gz WLKICBXFYZSNOT-GFCCVEGCSA-N 0 0 224.373 3.597 20 0 BHADRN CCC[C@H](CC)SCc1ccnc(C)n1 ZINC000357081842 386710667 /nfs/dbraw/zinc/71/06/67/386710667.db2.gz WLKICBXFYZSNOT-LBPRGKRZSA-N 0 0 224.373 3.597 20 0 BHADRN CCC(CC)c1nc([C@H]2CCCS2)no1 ZINC000357082002 538825360 /nfs/dbraw/zinc/82/53/60/538825360.db2.gz OEHKMJIKLWFSCR-SECBINFHSA-N 0 0 226.345 3.541 20 0 BHADRN CCC(CC)c1nc([C@@H]2CCCS2)no1 ZINC000357082003 538825095 /nfs/dbraw/zinc/82/50/95/538825095.db2.gz OEHKMJIKLWFSCR-VIFPVBQESA-N 0 0 226.345 3.541 20 0 BHADRN CCC[C@@H](C)c1nc([C@@H]2CCCS2)no1 ZINC000357082403 538824955 /nfs/dbraw/zinc/82/49/55/538824955.db2.gz WTBQPBLHRSRNKU-BDAKNGLRSA-N 0 0 226.345 3.541 20 0 BHADRN CCC[C@H](C)c1nc([C@H]2CCCS2)no1 ZINC000357082405 538825126 /nfs/dbraw/zinc/82/51/26/538825126.db2.gz WTBQPBLHRSRNKU-DTWKUNHWSA-N 0 0 226.345 3.541 20 0 BHADRN CCC[C@H](C)c1nc([C@@H]2CCCS2)no1 ZINC000357082407 538825228 /nfs/dbraw/zinc/82/52/28/538825228.db2.gz WTBQPBLHRSRNKU-IUCAKERBSA-N 0 0 226.345 3.541 20 0 BHADRN CCC[C@@H](C)c1nc([C@H]2CCCS2)no1 ZINC000357082408 538824689 /nfs/dbraw/zinc/82/46/89/538824689.db2.gz WTBQPBLHRSRNKU-RKDXNWHRSA-N 0 0 226.345 3.541 20 0 BHADRN CCC[C@@H](CC)SCc1ccncc1 ZINC000357082669 169381470 /nfs/dbraw/zinc/38/14/70/169381470.db2.gz 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CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(C)cc(F)c1 ZINC000357190885 386734420 /nfs/dbraw/zinc/73/44/20/386734420.db2.gz PWZXFBZONWNBRG-RISCZKNCSA-N 0 0 249.329 3.537 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(C)cc(F)c1 ZINC000357190887 171052649 /nfs/dbraw/zinc/05/26/49/171052649.db2.gz PWZXFBZONWNBRG-SMDDNHRTSA-N 0 0 249.329 3.537 20 0 BHADRN CSc1cccc(C)c1NCc1cc(C)no1 ZINC000357192419 175580160 /nfs/dbraw/zinc/58/01/60/175580160.db2.gz SOEQHFDMQHYBTL-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN C/C=C\c1ccc(NCc2cc(C)no2)cc1 ZINC000357194382 188066476 /nfs/dbraw/zinc/06/64/76/188066476.db2.gz WRIQYOICGJRLSH-ARJAWSKDSA-N 0 0 228.295 3.628 20 0 BHADRN C/C=C/c1ccc(NCc2cc(C)no2)cc1 ZINC000357194384 386735872 /nfs/dbraw/zinc/73/58/72/386735872.db2.gz WRIQYOICGJRLSH-ONEGZZNKSA-N 0 0 228.295 3.628 20 0 BHADRN COc1cc(F)c(F)cc1NCCCCCF ZINC000357194458 386737542 /nfs/dbraw/zinc/73/75/42/386737542.db2.gz ZVMNIYIASFSBED-UHFFFAOYSA-N 0 0 247.260 3.525 20 0 BHADRN Cc1cc(CNc2csc3ccccc23)on1 ZINC000357194630 178045204 /nfs/dbraw/zinc/04/52/04/178045204.db2.gz XWXCIBWVFDIXJO-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN CC/C=C(/C)c1nc(-c2ccncc2CC)no1 ZINC000357195245 167829119 /nfs/dbraw/zinc/82/91/19/167829119.db2.gz XVIKJIORAPRVFF-POHAHGRESA-N 0 0 243.310 3.507 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(C)cc(C)c1 ZINC000357196004 171052634 /nfs/dbraw/zinc/05/26/34/171052634.db2.gz YTGHFIZNLPJQNX-DZGCQCFKSA-N 0 0 245.366 3.707 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(C)cc(C)c1 ZINC000357196006 171640823 /nfs/dbraw/zinc/64/08/23/171640823.db2.gz YTGHFIZNLPJQNX-HIFRSBDPSA-N 0 0 245.366 3.707 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(C)cc(C)c1 ZINC000357196009 171036491 /nfs/dbraw/zinc/03/64/91/171036491.db2.gz YTGHFIZNLPJQNX-UKRRQHHQSA-N 0 0 245.366 3.707 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)c1cc(C)cc(C)c1 ZINC000357196012 386737390 /nfs/dbraw/zinc/73/73/90/386737390.db2.gz YTGHFIZNLPJQNX-ZFWWWQNUSA-N 0 0 245.366 3.707 20 0 BHADRN CCCC(=O)N(c1ccccc1C)C(C)C ZINC000357203996 386736961 /nfs/dbraw/zinc/73/69/61/386736961.db2.gz OFLYDZPJOSWIIP-UHFFFAOYSA-N 0 0 219.328 3.537 20 0 BHADRN Cc1ccccc1N(C(=O)CC(C)C)C(C)C ZINC000357205950 179294345 /nfs/dbraw/zinc/29/43/45/179294345.db2.gz VDNXAMKVYUMNPT-UHFFFAOYSA-N 0 0 233.355 3.783 20 0 BHADRN Cc1ccc(OCCc2ccccc2Cl)cn1 ZINC000357207597 188066066 /nfs/dbraw/zinc/06/60/66/188066066.db2.gz ULDZMCKWZKUWJB-UHFFFAOYSA-N 0 0 247.725 3.665 20 0 BHADRN Fc1ccc(CN2CCC=C(F)C2)cc1Cl ZINC000357213099 180920330 /nfs/dbraw/zinc/92/03/30/180920330.db2.gz LLKMRANYXYRCLC-UHFFFAOYSA-N 0 0 243.684 3.538 20 0 BHADRN Fc1ccc(Cl)cc1CN1CCC=C(F)C1 ZINC000357216788 386740992 /nfs/dbraw/zinc/74/09/92/386740992.db2.gz UEWZQCZLENZTDB-UHFFFAOYSA-N 0 0 243.684 3.538 20 0 BHADRN c1sc(CC2CC2)nc1[C@@H]1Cc2ccccc21 ZINC000357228504 183449685 /nfs/dbraw/zinc/44/96/85/183449685.db2.gz ICGYPWTWIMXCBP-CYBMUJFWSA-N 0 0 241.359 3.784 20 0 BHADRN c1sc(CC2CC2)nc1[C@H]1Cc2ccccc21 ZINC000357228506 386741361 /nfs/dbraw/zinc/74/13/61/386741361.db2.gz ICGYPWTWIMXCBP-ZDUSSCGKSA-N 0 0 241.359 3.784 20 0 BHADRN CCCOc1cccc(CN2CCC=C(F)C2)c1 ZINC000357236917 169324766 /nfs/dbraw/zinc/32/47/66/169324766.db2.gz MUHWNZSVPDQXTQ-UHFFFAOYSA-N 0 0 249.329 3.535 20 0 BHADRN CCc1ccc(NCc2ncc(C)s2)cc1C ZINC000357237064 398338967 /nfs/dbraw/zinc/33/89/67/398338967.db2.gz GEBIENFMEZVAHP-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN O=C(Nc1ccsc1)[C@H]1CC12CCCCC2 ZINC000357252001 182390241 /nfs/dbraw/zinc/39/02/41/182390241.db2.gz DXNKIUWKBZALIN-LLVKDONJSA-N 0 0 235.352 3.657 20 0 BHADRN O=C(Nc1ccsc1)[C@@H]1CC12CCCCC2 ZINC000357252002 182390010 /nfs/dbraw/zinc/39/00/10/182390010.db2.gz DXNKIUWKBZALIN-NSHDSACASA-N 0 0 235.352 3.657 20 0 BHADRN CCCc1nc([C@@H]2Cc3ccccc32)cs1 ZINC000357257264 386748385 /nfs/dbraw/zinc/74/83/85/386748385.db2.gz SHJPBSCOZULGRO-GFCCVEGCSA-N 0 0 229.348 3.784 20 0 BHADRN CCCc1nc([C@H]2Cc3ccccc32)cs1 ZINC000357257265 386749512 /nfs/dbraw/zinc/74/95/12/386749512.db2.gz SHJPBSCOZULGRO-LBPRGKRZSA-N 0 0 229.348 3.784 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1ccncc1Cl ZINC000357266428 171037443 /nfs/dbraw/zinc/03/74/43/171037443.db2.gz HVIMGYRJSDLEGR-NXEZZACHSA-N 0 0 224.735 3.502 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1ccncc1Cl ZINC000357266429 386751201 /nfs/dbraw/zinc/75/12/01/386751201.db2.gz HVIMGYRJSDLEGR-UWVGGRQHSA-N 0 0 224.735 3.502 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1ccncc1Cl ZINC000357266430 171056188 /nfs/dbraw/zinc/05/61/88/171056188.db2.gz HVIMGYRJSDLEGR-VHSXEESVSA-N 0 0 224.735 3.502 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1ccncc1Cl ZINC000357266431 386751947 /nfs/dbraw/zinc/75/19/47/386751947.db2.gz HVIMGYRJSDLEGR-ZJUUUORDSA-N 0 0 224.735 3.502 20 0 BHADRN Cc1cc(CN(c2ccccc2C)C(C)C)on1 ZINC000357267361 386750353 /nfs/dbraw/zinc/75/03/53/386750353.db2.gz ITIKYFBKPZUIAG-UHFFFAOYSA-N 0 0 244.338 3.706 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1nccc2occc21 ZINC000357273391 171037842 /nfs/dbraw/zinc/03/78/42/171037842.db2.gz WZFZYROLJRGHEN-GHMZBOCLSA-N 0 0 230.311 3.595 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1nccc2occc21 ZINC000357273396 386751928 /nfs/dbraw/zinc/75/19/28/386751928.db2.gz WZFZYROLJRGHEN-MNOVXSKESA-N 0 0 230.311 3.595 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1nccc2occc21 ZINC000357273401 386751348 /nfs/dbraw/zinc/75/13/48/386751348.db2.gz WZFZYROLJRGHEN-QWRGUYRKSA-N 0 0 230.311 3.595 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1nccc2occc21 ZINC000357273801 171056443 /nfs/dbraw/zinc/05/64/43/171056443.db2.gz WZFZYROLJRGHEN-WDEREUQCSA-N 0 0 230.311 3.595 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1nc(C)c(C)s1 ZINC000357276819 171055618 /nfs/dbraw/zinc/05/56/18/171055618.db2.gz UTHKCJWYTGGAEC-GZMMTYOYSA-N 0 0 224.373 3.527 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1nc(C)c(C)s1 ZINC000357276820 171642665 /nfs/dbraw/zinc/64/26/65/171642665.db2.gz UTHKCJWYTGGAEC-KCJUWKMLSA-N 0 0 224.373 3.527 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1nc(C)c(C)s1 ZINC000357276821 386745686 /nfs/dbraw/zinc/74/56/86/386745686.db2.gz UTHKCJWYTGGAEC-KWQFWETISA-N 0 0 224.373 3.527 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1nc(C)c(C)s1 ZINC000357276822 171038289 /nfs/dbraw/zinc/03/82/89/171038289.db2.gz UTHKCJWYTGGAEC-LDYMZIIASA-N 0 0 224.373 3.527 20 0 BHADRN c1ccc(-c2ccc(NCC3CCC3)cc2)nc1 ZINC000357283677 183379813 /nfs/dbraw/zinc/37/98/13/183379813.db2.gz NAMVKIDPINLOTL-UHFFFAOYSA-N 0 0 238.334 3.961 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1ncccc1Cl ZINC000357288861 171037457 /nfs/dbraw/zinc/03/74/57/171037457.db2.gz OGESGYLIZCQUFQ-NXEZZACHSA-N 0 0 224.735 3.502 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1ncccc1Cl ZINC000357288863 386754662 /nfs/dbraw/zinc/75/46/62/386754662.db2.gz OGESGYLIZCQUFQ-UWVGGRQHSA-N 0 0 224.735 3.502 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1ncccc1Cl ZINC000357288865 171056618 /nfs/dbraw/zinc/05/66/18/171056618.db2.gz OGESGYLIZCQUFQ-VHSXEESVSA-N 0 0 224.735 3.502 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1ncccc1Cl ZINC000357288868 171642493 /nfs/dbraw/zinc/64/24/93/171642493.db2.gz OGESGYLIZCQUFQ-ZJUUUORDSA-N 0 0 224.735 3.502 20 0 BHADRN C[C@H](Cc1noc(C2CCC2)n1)c1ccccc1 ZINC000357290160 386755049 /nfs/dbraw/zinc/75/50/49/386755049.db2.gz CNZATVWFASBYOI-LLVKDONJSA-N 0 0 242.322 3.683 20 0 BHADRN C[C@@H](Cc1noc(C2CCC2)n1)c1ccccc1 ZINC000357290162 386753630 /nfs/dbraw/zinc/75/36/30/386753630.db2.gz CNZATVWFASBYOI-NSHDSACASA-N 0 0 242.322 3.683 20 0 BHADRN CCc1nc(C2(c3ccccc3)CC2)cs1 ZINC000357290559 356822454 /nfs/dbraw/zinc/82/24/54/356822454.db2.gz MTDZCYFWTACCJA-UHFFFAOYSA-N 0 0 229.348 3.785 20 0 BHADRN c1sc(C2CC2)nc1[C@@H]1Cc2ccccc21 ZINC000357291575 386753341 /nfs/dbraw/zinc/75/33/41/386753341.db2.gz PQJOSHAMCISCAK-GFCCVEGCSA-N 0 0 227.332 3.709 20 0 BHADRN c1sc(C2CC2)nc1[C@H]1Cc2ccccc21 ZINC000357291582 386755064 /nfs/dbraw/zinc/75/50/64/386755064.db2.gz PQJOSHAMCISCAK-LBPRGKRZSA-N 0 0 227.332 3.709 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1cc(C)nc(C(C)C)n1 ZINC000357291744 171038944 /nfs/dbraw/zinc/03/89/44/171038944.db2.gz RPIJPJMRSNISCF-CHWSQXEVSA-N 0 0 247.386 3.676 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1cc(C)nc(C(C)C)n1 ZINC000357291746 386754835 /nfs/dbraw/zinc/75/48/35/386754835.db2.gz RPIJPJMRSNISCF-OLZOCXBDSA-N 0 0 247.386 3.676 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1cc(C)nc(C(C)C)n1 ZINC000357291748 171053630 /nfs/dbraw/zinc/05/36/30/171053630.db2.gz RPIJPJMRSNISCF-QWHCGFSZSA-N 0 0 247.386 3.676 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1cc(C)nc(C(C)C)n1 ZINC000357291749 386753818 /nfs/dbraw/zinc/75/38/18/386753818.db2.gz RPIJPJMRSNISCF-STQMWFEESA-N 0 0 247.386 3.676 20 0 BHADRN CC(=O)c1nc(C(C)(C)c2ccccc2)cs1 ZINC000357301790 386755742 /nfs/dbraw/zinc/75/57/42/386755742.db2.gz JTNYQONMAWWUQZ-UHFFFAOYSA-N 0 0 245.347 3.672 20 0 BHADRN CC(C)c1nc([C@@H]2Cc3ccccc32)cs1 ZINC000357311002 386755846 /nfs/dbraw/zinc/75/58/46/386755846.db2.gz XIBIVIJFNVZUOJ-GFCCVEGCSA-N 0 0 229.348 3.955 20 0 BHADRN CC(C)c1nc([C@H]2Cc3ccccc32)cs1 ZINC000357311006 386756735 /nfs/dbraw/zinc/75/67/35/386756735.db2.gz XIBIVIJFNVZUOJ-LBPRGKRZSA-N 0 0 229.348 3.955 20 0 BHADRN CCS[C@H](C)c1noc(C2(C)CCCC2)n1 ZINC000357311238 386754437 /nfs/dbraw/zinc/75/44/37/386754437.db2.gz HHVUTTYZUGMMFV-SECBINFHSA-N 0 0 240.372 3.715 20 0 BHADRN CCS[C@@H](C)c1noc(C2(C)CCCC2)n1 ZINC000357311240 386753985 /nfs/dbraw/zinc/75/39/85/386753985.db2.gz HHVUTTYZUGMMFV-VIFPVBQESA-N 0 0 240.372 3.715 20 0 BHADRN CCS[C@H](C)c1noc(C2=C(C)CCC2)n1 ZINC000357317565 386759392 /nfs/dbraw/zinc/75/93/92/386759392.db2.gz QIVNXKUNOJKPKY-SECBINFHSA-N 0 0 238.356 3.841 20 0 BHADRN CCS[C@@H](C)c1noc(C2=C(C)CCC2)n1 ZINC000357317568 386759720 /nfs/dbraw/zinc/75/97/20/386759720.db2.gz QIVNXKUNOJKPKY-VIFPVBQESA-N 0 0 238.356 3.841 20 0 BHADRN CCS[C@H](C)c1noc([C@H]2C[C@@]2(C)CC)n1 ZINC000357318436 386758715 /nfs/dbraw/zinc/75/87/15/386758715.db2.gz SSSLFUXCRIRLHJ-KBVBSXBZSA-N 0 0 240.372 3.787 20 0 BHADRN CCS[C@H](C)c1noc([C@H]2C[C@]2(C)CC)n1 ZINC000357318444 386759002 /nfs/dbraw/zinc/75/90/02/386759002.db2.gz SSSLFUXCRIRLHJ-LNLATYFQSA-N 0 0 240.372 3.787 20 0 BHADRN CCS[C@H](C)c1noc([C@@H]2C[C@]2(C)CC)n1 ZINC000357318446 386759105 /nfs/dbraw/zinc/75/91/05/386759105.db2.gz SSSLFUXCRIRLHJ-PTRXPTGYSA-N 0 0 240.372 3.787 20 0 BHADRN CCS[C@H](C)c1noc([C@@H]2C[C@@]2(C)CC)n1 ZINC000357318449 386758580 /nfs/dbraw/zinc/75/85/80/386758580.db2.gz SSSLFUXCRIRLHJ-VDDIYKPWSA-N 0 0 240.372 3.787 20 0 BHADRN CCCSCc1ccn(-c2ccccc2)n1 ZINC000357318514 169339459 /nfs/dbraw/zinc/33/94/59/169339459.db2.gz UTOIYQBZTUVCCA-UHFFFAOYSA-N 0 0 232.352 3.516 20 0 BHADRN CCS[C@H](C)c1noc(CCC(C)(C)C)n1 ZINC000357322621 170651590 /nfs/dbraw/zinc/65/15/90/170651590.db2.gz DEQRKYCRJRSBLH-SECBINFHSA-N 0 0 242.388 3.862 20 0 BHADRN CCS[C@@H](C)c1noc(CCC(C)(C)C)n1 ZINC000357322623 386758646 /nfs/dbraw/zinc/75/86/46/386758646.db2.gz DEQRKYCRJRSBLH-VIFPVBQESA-N 0 0 242.388 3.862 20 0 BHADRN CCS[C@@H](C)c1noc(-c2ccc(C)cc2)n1 ZINC000357324824 386759784 /nfs/dbraw/zinc/75/97/84/386759784.db2.gz KZWOJKVIILYBSE-JTQLQIEISA-N 0 0 248.351 3.859 20 0 BHADRN CCS[C@H](C)c1noc(-c2ccc(C)cc2)n1 ZINC000357324825 170651575 /nfs/dbraw/zinc/65/15/75/170651575.db2.gz KZWOJKVIILYBSE-SNVBAGLBSA-N 0 0 248.351 3.859 20 0 BHADRN CCC[C@@H](C)c1nc([C@H](C)SCC)no1 ZINC000357324831 169375223 /nfs/dbraw/zinc/37/52/23/169375223.db2.gz LBUFEKHLMPFDBN-BDAKNGLRSA-N 0 0 228.361 3.787 20 0 BHADRN CCC[C@H](C)c1nc([C@@H](C)SCC)no1 ZINC000357324832 386759459 /nfs/dbraw/zinc/75/94/59/386759459.db2.gz LBUFEKHLMPFDBN-DTWKUNHWSA-N 0 0 228.361 3.787 20 0 BHADRN CCC[C@H](C)c1nc([C@H](C)SCC)no1 ZINC000357324833 169495697 /nfs/dbraw/zinc/49/56/97/169495697.db2.gz LBUFEKHLMPFDBN-IUCAKERBSA-N 0 0 228.361 3.787 20 0 BHADRN CCC[C@@H](C)c1nc([C@@H](C)SCC)no1 ZINC000357324834 169374990 /nfs/dbraw/zinc/37/49/90/169374990.db2.gz LBUFEKHLMPFDBN-RKDXNWHRSA-N 0 0 228.361 3.787 20 0 BHADRN CCCC1(c2nc([C@@H](C)SCC)no2)CC1 ZINC000357324887 386753436 /nfs/dbraw/zinc/75/34/36/386753436.db2.gz ADGFPNZYPKITEJ-SECBINFHSA-N 0 0 240.372 3.715 20 0 BHADRN CCCC1(c2nc([C@H](C)SCC)no2)CC1 ZINC000357324888 386753807 /nfs/dbraw/zinc/75/38/07/386753807.db2.gz ADGFPNZYPKITEJ-VIFPVBQESA-N 0 0 240.372 3.715 20 0 BHADRN CCS[C@H](C)c1noc(/C=C/C2CCC2)n1 ZINC000357325776 386759212 /nfs/dbraw/zinc/75/92/12/386759212.db2.gz CTNDPJJVIYWKNJ-FCZSHJHJSA-N 0 0 238.356 3.697 20 0 BHADRN CCS[C@@H](C)c1noc(/C=C/C2CCC2)n1 ZINC000357325777 386759017 /nfs/dbraw/zinc/75/90/17/386759017.db2.gz CTNDPJJVIYWKNJ-FLOXNTQESA-N 0 0 238.356 3.697 20 0 BHADRN CCS[C@@H](C)c1noc(/C=C\C2CCC2)n1 ZINC000357325779 386759380 /nfs/dbraw/zinc/75/93/80/386759380.db2.gz CTNDPJJVIYWKNJ-FUOZMLNRSA-N 0 0 238.356 3.697 20 0 BHADRN CCS[C@H](C)c1noc(/C=C\C2CCC2)n1 ZINC000357325780 170651322 /nfs/dbraw/zinc/65/13/22/170651322.db2.gz CTNDPJJVIYWKNJ-UFGYOYAJSA-N 0 0 238.356 3.697 20 0 BHADRN CCS[C@H](C)c1noc(CC(C)(C)CC)n1 ZINC000357325850 170651652 /nfs/dbraw/zinc/65/16/52/170651652.db2.gz NQRCETOBNRZGQF-SECBINFHSA-N 0 0 242.388 3.862 20 0 BHADRN CCS[C@@H](C)c1noc(CC(C)(C)CC)n1 ZINC000357325852 170646932 /nfs/dbraw/zinc/64/69/32/170646932.db2.gz NQRCETOBNRZGQF-VIFPVBQESA-N 0 0 242.388 3.862 20 0 BHADRN CCS[C@H](C)c1noc(CCC2CCC2)n1 ZINC000357325858 386759111 /nfs/dbraw/zinc/75/91/11/386759111.db2.gz NSQHHSSIYDPYRU-SECBINFHSA-N 0 0 240.372 3.616 20 0 BHADRN CCS[C@@H](C)c1noc(CCC2CCC2)n1 ZINC000357325860 386758462 /nfs/dbraw/zinc/75/84/62/386758462.db2.gz NSQHHSSIYDPYRU-VIFPVBQESA-N 0 0 240.372 3.616 20 0 BHADRN CCS[C@H](C)c1noc(C(F)=C(C)C)n1 ZINC000357326782 386761010 /nfs/dbraw/zinc/76/10/10/386761010.db2.gz QYIJQLJFCLKLRY-SSDOTTSWSA-N 0 0 230.308 3.604 20 0 BHADRN CCS[C@@H](C)c1noc(C(F)=C(C)C)n1 ZINC000357326783 170647173 /nfs/dbraw/zinc/64/71/73/170647173.db2.gz QYIJQLJFCLKLRY-ZETCQYMHSA-N 0 0 230.308 3.604 20 0 BHADRN CCCCCc1nc([C@@H](C)SCC)no1 ZINC000357327002 386761501 /nfs/dbraw/zinc/76/15/01/386761501.db2.gz RGNHABZMZFWOJO-SECBINFHSA-N 0 0 228.361 3.616 20 0 BHADRN CCCCCc1nc([C@H](C)SCC)no1 ZINC000357327003 168750608 /nfs/dbraw/zinc/75/06/08/168750608.db2.gz RGNHABZMZFWOJO-VIFPVBQESA-N 0 0 228.361 3.616 20 0 BHADRN CCS[C@H](C)c1noc(C2(CC)CCC2)n1 ZINC000357327675 386761278 /nfs/dbraw/zinc/76/12/78/386761278.db2.gz UITFGPNYUKBABW-SECBINFHSA-N 0 0 240.372 3.715 20 0 BHADRN 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CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(C)c1C ZINC000357766944 171645742 /nfs/dbraw/zinc/64/57/42/171645742.db2.gz YZVKSDKQNZRPPE-JSGCOSHPSA-N 0 0 245.366 3.707 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(C)c1C ZINC000357766950 384561139 /nfs/dbraw/zinc/56/11/39/384561139.db2.gz YZVKSDKQNZRPPE-OCCSQVGLSA-N 0 0 245.366 3.707 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(C)c1C ZINC000357766952 171035944 /nfs/dbraw/zinc/03/59/44/171035944.db2.gz YZVKSDKQNZRPPE-TZMCWYRMSA-N 0 0 245.366 3.707 20 0 BHADRN CC(=O)[C@@H](C)SCC1CCC(C)(C)CC1 ZINC000357767494 397941183 /nfs/dbraw/zinc/94/11/83/397941183.db2.gz WKHKITDZYOTKBX-LLVKDONJSA-N 0 0 228.401 3.914 20 0 BHADRN CC(=O)[C@H](C)SCC1CCC(C)(C)CC1 ZINC000357767498 397941084 /nfs/dbraw/zinc/94/10/84/397941084.db2.gz WKHKITDZYOTKBX-NSHDSACASA-N 0 0 228.401 3.914 20 0 BHADRN CC(C)c1ccc([S@@](=O)CCC2CC2)cc1 ZINC000357767535 397940532 /nfs/dbraw/zinc/94/05/32/397940532.db2.gz KGCQXTIQZMYLAG-INIZCTEOSA-N 0 0 236.380 3.718 20 0 BHADRN 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0 0 249.329 3.539 20 0 BHADRN Cc1ccc(C(=O)N2CCCCC[C@@H]2C)cc1F ZINC000357785827 178386470 /nfs/dbraw/zinc/38/64/70/178386470.db2.gz DIMSXZQIYWTFEC-LBPRGKRZSA-N 0 0 249.329 3.539 20 0 BHADRN CCCC1(CNC(=O)C[C@H](C)CC)CCC1 ZINC000357791548 168596241 /nfs/dbraw/zinc/59/62/41/168596241.db2.gz NUWVTGDVQFORLY-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC1(CNC(=O)C[C@@H](C)CC)CCC1 ZINC000357791549 386844708 /nfs/dbraw/zinc/84/47/08/386844708.db2.gz NUWVTGDVQFORLY-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN Cc1ccc(C(=O)N2CCCCC[C@@H]2C)cc1C ZINC000357793964 178386001 /nfs/dbraw/zinc/38/60/01/178386001.db2.gz NIXWWHHWAYJVHY-AWEZNQCLSA-N 0 0 245.366 3.708 20 0 BHADRN Cc1ccc(C(=O)N2CCCCC[C@H]2C)cc1C ZINC000357793973 178385669 /nfs/dbraw/zinc/38/56/69/178385669.db2.gz NIXWWHHWAYJVHY-CQSZACIVSA-N 0 0 245.366 3.708 20 0 BHADRN CCCC(C)(C)CC(=O)Nc1nc(C)cs1 ZINC000357796276 397940839 /nfs/dbraw/zinc/94/08/39/397940839.db2.gz JVBDPLJYQPRGEX-UHFFFAOYSA-N 0 0 240.372 3.606 20 0 BHADRN O=[S@@](CCC1CC1)c1ccc2ccccc2c1 ZINC000357797779 386844870 /nfs/dbraw/zinc/84/48/70/386844870.db2.gz SANHEKMWUJGKQW-KRWDZBQOSA-N 0 0 244.359 3.748 20 0 BHADRN O=[S@](CCC1CC1)c1ccc2ccccc2c1 ZINC000357797794 386846695 /nfs/dbraw/zinc/84/66/95/386846695.db2.gz SANHEKMWUJGKQW-QGZVFWFLSA-N 0 0 244.359 3.748 20 0 BHADRN CCCC[C@@H](C)N(C)c1ccnc2ccncc21 ZINC000357801270 356847027 /nfs/dbraw/zinc/84/70/27/356847027.db2.gz JCSOGVVSVWBZDF-GFCCVEGCSA-N 0 0 243.354 3.645 20 0 BHADRN CCCC[C@H](C)N(C)c1ccnc2ccncc21 ZINC000357801280 356847063 /nfs/dbraw/zinc/84/70/63/356847063.db2.gz JCSOGVVSVWBZDF-LBPRGKRZSA-N 0 0 243.354 3.645 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCCc2cccc(C)c21 ZINC000357813059 132274925 /nfs/dbraw/zinc/27/49/25/132274925.db2.gz SHQCXSQKOITOTQ-GFCCVEGCSA-N 0 0 245.366 3.710 20 0 BHADRN CC[C@H](C)CC(=O)N1CCCc2cccc(C)c21 ZINC000357813064 132274968 /nfs/dbraw/zinc/27/49/68/132274968.db2.gz SHQCXSQKOITOTQ-LBPRGKRZSA-N 0 0 245.366 3.710 20 0 BHADRN CCCC[C@@H](C)N(C)c1cc(C)nc(C2CC2)n1 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ZINC000359753826 387161265 /nfs/dbraw/zinc/16/12/65/387161265.db2.gz BETOIBWOSHLEJZ-TUAOUCFPSA-N 0 0 216.390 3.581 20 0 BHADRN CO[C@H](C)CSC[C@H]1CCC[C@@H](C)C1 ZINC000359753827 174838846 /nfs/dbraw/zinc/83/88/46/174838846.db2.gz BETOIBWOSHLEJZ-UTUOFQBUSA-N 0 0 216.390 3.581 20 0 BHADRN CO[C@@H](C)CSCc1cc2ccccc2o1 ZINC000359755884 387160856 /nfs/dbraw/zinc/16/08/56/387160856.db2.gz HALLLDHKKIWKSL-JTQLQIEISA-N 0 0 236.336 3.701 20 0 BHADRN CO[C@H](C)CSCc1cc2ccccc2o1 ZINC000359755888 174838745 /nfs/dbraw/zinc/83/87/45/174838745.db2.gz HALLLDHKKIWKSL-SNVBAGLBSA-N 0 0 236.336 3.701 20 0 BHADRN CO[C@H](C)CSCc1ccccc1Cl ZINC000359760202 174838622 /nfs/dbraw/zinc/83/86/22/174838622.db2.gz ZWUDUWWKOAYAEP-SECBINFHSA-N 0 0 230.760 3.608 20 0 BHADRN CO[C@@H](C)CSCc1ccccc1Cl ZINC000359760203 387160580 /nfs/dbraw/zinc/16/05/80/387160580.db2.gz ZWUDUWWKOAYAEP-VIFPVBQESA-N 0 0 230.760 3.608 20 0 BHADRN FCCSc1ncc(-c2ccc(F)cc2)o1 ZINC000359762395 387160221 /nfs/dbraw/zinc/16/02/21/387160221.db2.gz MKBSKBKCXHCNBU-UHFFFAOYSA-N 0 0 241.262 3.542 20 0 BHADRN CO[C@@H](C)CSCc1ccc(SC)cc1 ZINC000359763126 387160603 /nfs/dbraw/zinc/16/06/03/387160603.db2.gz KLCDYDHAZKWDFJ-JTQLQIEISA-N 0 0 242.409 3.677 20 0 BHADRN CO[C@H](C)CSCc1ccc(SC)cc1 ZINC000359763127 174838384 /nfs/dbraw/zinc/83/83/84/174838384.db2.gz KLCDYDHAZKWDFJ-SNVBAGLBSA-N 0 0 242.409 3.677 20 0 BHADRN CO[C@@H](C)CSCc1ccccc1SC ZINC000359767148 174708976 /nfs/dbraw/zinc/70/89/76/174708976.db2.gz UGWRNIGMUINQNK-JTQLQIEISA-N 0 0 242.409 3.677 20 0 BHADRN CO[C@H](C)CSCc1ccccc1SC ZINC000359767149 174838858 /nfs/dbraw/zinc/83/88/58/174838858.db2.gz UGWRNIGMUINQNK-SNVBAGLBSA-N 0 0 242.409 3.677 20 0 BHADRN FCCCSCc1cccc(F)c1F ZINC000359770154 188241925 /nfs/dbraw/zinc/24/19/25/188241925.db2.gz STYYKGSZMFAYFC-UHFFFAOYSA-N 0 0 220.259 3.558 20 0 BHADRN Cc1cc2n[nH]cc2cc1NCc1cccs1 ZINC000359802996 178299989 /nfs/dbraw/zinc/29/99/89/178299989.db2.gz RDWDRVORNYBJHI-UHFFFAOYSA-N 0 0 243.335 3.545 20 0 BHADRN Cc1cc2n[nH]cc2cc1NCc1ccsc1 ZINC000359807192 178299670 /nfs/dbraw/zinc/29/96/70/178299670.db2.gz TWJYDVSEBNUKQG-UHFFFAOYSA-N 0 0 243.335 3.545 20 0 BHADRN CC[C@H](C)n1ncc(NCc2ccsc2)c1C ZINC000359814075 387167308 /nfs/dbraw/zinc/16/73/08/387167308.db2.gz GZIJIHKJQQPCQT-JTQLQIEISA-N 0 0 249.383 3.836 20 0 BHADRN CC[C@@H](C)n1ncc(NCc2ccsc2)c1C ZINC000359814077 387166647 /nfs/dbraw/zinc/16/66/47/387166647.db2.gz GZIJIHKJQQPCQT-SNVBAGLBSA-N 0 0 249.383 3.836 20 0 BHADRN CC[C@H](C)n1ncc(NCc2ccc(C)o2)c1C ZINC000359815809 387169014 /nfs/dbraw/zinc/16/90/14/387169014.db2.gz JFPXHVMSGNLOIW-JTQLQIEISA-N 0 0 247.342 3.676 20 0 BHADRN CC[C@@H](C)n1ncc(NCc2ccc(C)o2)c1C ZINC000359815811 387169517 /nfs/dbraw/zinc/16/95/17/387169517.db2.gz JFPXHVMSGNLOIW-SNVBAGLBSA-N 0 0 247.342 3.676 20 0 BHADRN CC[C@@H](C)n1ncc(NCc2occc2C)c1C ZINC000359816737 387169331 /nfs/dbraw/zinc/16/93/31/387169331.db2.gz JHRQRAHVOWUXTD-LLVKDONJSA-N 0 0 247.342 3.676 20 0 BHADRN CC[C@H](C)n1ncc(NCc2occc2C)c1C ZINC000359816738 387170008 /nfs/dbraw/zinc/17/00/08/387170008.db2.gz JHRQRAHVOWUXTD-NSHDSACASA-N 0 0 247.342 3.676 20 0 BHADRN CC[C@@H](C)n1ncc(NCc2ccccc2)c1C ZINC000359817662 387169693 /nfs/dbraw/zinc/16/96/93/387169693.db2.gz MENIPAZEQKRKGI-GFCCVEGCSA-N 0 0 243.354 3.775 20 0 BHADRN CC[C@H](C)n1ncc(NCc2ccccc2)c1C ZINC000359817663 387169731 /nfs/dbraw/zinc/16/97/31/387169731.db2.gz MENIPAZEQKRKGI-LBPRGKRZSA-N 0 0 243.354 3.775 20 0 BHADRN CO[C@H](C)CSc1ccc(F)c(Cl)c1 ZINC000359818081 384517921 /nfs/dbraw/zinc/51/79/21/384517921.db2.gz INKOUGBMNIELHD-SSDOTTSWSA-N 0 0 234.723 3.606 20 0 BHADRN CO[C@@H](C)CSc1ccc(F)c(Cl)c1 ZINC000359818082 384518859 /nfs/dbraw/zinc/51/88/59/384518859.db2.gz INKOUGBMNIELHD-ZETCQYMHSA-N 0 0 234.723 3.606 20 0 BHADRN CC[C@H](C)n1ncc(NC[C@@H]2CC=CCC2)c1C ZINC000359818366 171417669 /nfs/dbraw/zinc/41/76/69/171417669.db2.gz NFOOSWFOTYVCDS-GXTWGEPZSA-N 0 0 247.386 3.931 20 0 BHADRN CC[C@H](C)n1ncc(NC[C@H]2CC=CCC2)c1C ZINC000359818371 384520382 /nfs/dbraw/zinc/52/03/82/384520382.db2.gz NFOOSWFOTYVCDS-JSGCOSHPSA-N 0 0 247.386 3.931 20 0 BHADRN CC[C@@H](C)n1ncc(NC[C@H]2CC=CCC2)c1C ZINC000359818380 170810038 /nfs/dbraw/zinc/81/00/38/170810038.db2.gz NFOOSWFOTYVCDS-OCCSQVGLSA-N 0 0 247.386 3.931 20 0 BHADRN CC[C@@H](C)n1ncc(NC[C@@H]2CC=CCC2)c1C ZINC000359818383 384521419 /nfs/dbraw/zinc/52/14/19/384521419.db2.gz NFOOSWFOTYVCDS-TZMCWYRMSA-N 0 0 247.386 3.931 20 0 BHADRN CC[C@H](C)n1ncc(NCc2cccs2)c1C ZINC000359818453 171417010 /nfs/dbraw/zinc/41/70/10/171417010.db2.gz NINFTNMZONFJSW-JTQLQIEISA-N 0 0 249.383 3.836 20 0 BHADRN CC[C@@H](C)n1ncc(NCc2cccs2)c1C ZINC000359818454 387169755 /nfs/dbraw/zinc/16/97/55/387169755.db2.gz NINFTNMZONFJSW-SNVBAGLBSA-N 0 0 249.383 3.836 20 0 BHADRN c1csc(CNc2cnc3c(c2)CCCC3)c1 ZINC000359823253 387169939 /nfs/dbraw/zinc/16/99/39/387169939.db2.gz VEJQCGDFYRFIQG-UHFFFAOYSA-N 0 0 244.363 3.634 20 0 BHADRN c1cc(CNc2cnc3c(c2)CCCC3)cs1 ZINC000359824066 183355323 /nfs/dbraw/zinc/35/53/23/183355323.db2.gz XYDRXVJFXIPIKN-UHFFFAOYSA-N 0 0 244.363 3.634 20 0 BHADRN c1cc(NCC[C@@H]2CCCO2)cc(C2CCC2)c1 ZINC000359827788 183356991 /nfs/dbraw/zinc/35/69/91/183356991.db2.gz CAEMVUUGYGZZKK-INIZCTEOSA-N 0 0 245.366 3.935 20 0 BHADRN c1cc(NCC[C@H]2CCCO2)cc(C2CCC2)c1 ZINC000359827790 183357645 /nfs/dbraw/zinc/35/76/45/183357645.db2.gz CAEMVUUGYGZZKK-MRXNPFEDSA-N 0 0 245.366 3.935 20 0 BHADRN CC1(CCNc2ncccc2C(F)(F)F)CC1 ZINC000359828887 168022142 /nfs/dbraw/zinc/02/21/42/168022142.db2.gz GNKSDSVSVWKDPV-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc2ccoc2c1 ZINC000359832351 171262815 /nfs/dbraw/zinc/26/28/15/171262815.db2.gz CWVQPILIYBETLF-JTQLQIEISA-N 0 0 231.295 3.808 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc2ccoc2c1 ZINC000359832353 387171070 /nfs/dbraw/zinc/17/10/70/387171070.db2.gz CWVQPILIYBETLF-SNVBAGLBSA-N 0 0 231.295 3.808 20 0 BHADRN CC(C)(O)CCNc1cccc(C2CCC2)c1 ZINC000359835418 188423835 /nfs/dbraw/zinc/42/38/35/188423835.db2.gz RIGCXLMXRSEQOO-UHFFFAOYSA-N 0 0 233.355 3.527 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCC=Cc2ccccc21 ZINC000359836802 387174293 /nfs/dbraw/zinc/17/42/93/387174293.db2.gz MIDUBEYXIZPCNZ-CYBMUJFWSA-N 0 0 243.350 3.873 20 0 BHADRN CC[C@H](C)CC(=O)N1CCC=Cc2ccccc21 ZINC000359836803 171258051 /nfs/dbraw/zinc/25/80/51/171258051.db2.gz MIDUBEYXIZPCNZ-ZDUSSCGKSA-N 0 0 243.350 3.873 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccsc1Cl ZINC000359839228 387174394 /nfs/dbraw/zinc/17/43/94/387174394.db2.gz AVESPHWPVGIOSD-SSDOTTSWSA-N 0 0 231.748 3.776 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccsc1Cl ZINC000359839229 171263885 /nfs/dbraw/zinc/26/38/85/171263885.db2.gz AVESPHWPVGIOSD-ZETCQYMHSA-N 0 0 231.748 3.776 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCCC2(CCCC2)C1 ZINC000359844356 170686096 /nfs/dbraw/zinc/68/60/96/170686096.db2.gz NKEUNWCNGAVHAB-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@H](C)CC(=O)N1CCCC2(CCCC2)C1 ZINC000359844357 171258292 /nfs/dbraw/zinc/25/82/92/171258292.db2.gz NKEUNWCNGAVHAB-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CC/C=C/CCNc1ccc2c(C)nn(C)c2c1 ZINC000359846482 387175279 /nfs/dbraw/zinc/17/52/79/387175279.db2.gz RKNVKFYOEBUYFJ-AATRIKPKSA-N 0 0 243.354 3.650 20 0 BHADRN CC/C=C\CCNc1ccc2c(C)nn(C)c2c1 ZINC000359846489 387176252 /nfs/dbraw/zinc/17/62/52/387176252.db2.gz RKNVKFYOEBUYFJ-WAYWQWQTSA-N 0 0 243.354 3.650 20 0 BHADRN CC[C@H](C)CC(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000359848032 171261948 /nfs/dbraw/zinc/26/19/48/171261948.db2.gz RXOGGPVBSNLBQA-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000359848034 171261668 /nfs/dbraw/zinc/26/16/68/171261668.db2.gz RXOGGPVBSNLBQA-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)CC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000359848035 171262293 /nfs/dbraw/zinc/26/22/93/171262293.db2.gz RXOGGPVBSNLBQA-XQQFMLRXSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000359848036 171261911 /nfs/dbraw/zinc/26/19/11/171261911.db2.gz RXOGGPVBSNLBQA-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCc1csc([C@@H]2CCCOC2)n1 ZINC000359850038 166915882 /nfs/dbraw/zinc/91/58/82/166915882.db2.gz PFYRECXAHNLARF-LLVKDONJSA-N 0 0 239.384 3.626 20 0 BHADRN CC(C)CCc1csc([C@H]2CCCOC2)n1 ZINC000359850039 356895466 /nfs/dbraw/zinc/89/54/66/356895466.db2.gz PFYRECXAHNLARF-NSHDSACASA-N 0 0 239.384 3.626 20 0 BHADRN CC(C)(C)Cc1csc([C@H]2CCCOC2)n1 ZINC000359851029 188241722 /nfs/dbraw/zinc/24/17/22/188241722.db2.gz QLZPCJOBSADUQD-JTQLQIEISA-N 0 0 239.384 3.626 20 0 BHADRN CC(C)(C)Cc1csc([C@@H]2CCCOC2)n1 ZINC000359851030 387177427 /nfs/dbraw/zinc/17/74/27/387177427.db2.gz QLZPCJOBSADUQD-SNVBAGLBSA-N 0 0 239.384 3.626 20 0 BHADRN CCCNc1ccccc1NC(=O)C1=CCCC1 ZINC000359857108 169295218 /nfs/dbraw/zinc/29/52/18/169295218.db2.gz OVWLAHWLWZUANM-UHFFFAOYSA-N 0 0 244.338 3.557 20 0 BHADRN CC[C@@]1(C)CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000359859632 171199349 /nfs/dbraw/zinc/19/93/49/171199349.db2.gz USZGKUQYFYIHDG-INIZCTEOSA-N 0 0 246.398 3.711 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cccc2ccn(C)c21 ZINC000359860490 397959698 /nfs/dbraw/zinc/95/96/98/397959698.db2.gz WCMYOPAUDIXDRC-LLVKDONJSA-N 0 0 244.338 3.553 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cccc2ccn(C)c21 ZINC000359860491 171262688 /nfs/dbraw/zinc/26/26/88/171262688.db2.gz WCMYOPAUDIXDRC-NSHDSACASA-N 0 0 244.338 3.553 20 0 BHADRN FC(F)CN(CCC1CC1)Cc1ccccc1 ZINC000359870226 387182709 /nfs/dbraw/zinc/18/27/09/387182709.db2.gz DYCLXXVNYFWPGB-UHFFFAOYSA-N 0 0 239.309 3.554 20 0 BHADRN CCN(Cc1ccc(C)nc1C)c1ccccc1 ZINC000359914932 356898541 /nfs/dbraw/zinc/89/85/41/356898541.db2.gz ZYFMRFFJKUDPDW-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(C2CCCC2)no1 ZINC000359922744 169443143 /nfs/dbraw/zinc/44/31/43/169443143.db2.gz IDHJSGFBBNLYKX-GHMZBOCLSA-N 0 0 220.316 3.631 20 0 BHADRN CCC[C@@H]1C[C@@H]1c1nc(C2CCCC2)no1 ZINC000359922745 387192417 /nfs/dbraw/zinc/19/24/17/387192417.db2.gz IDHJSGFBBNLYKX-MNOVXSKESA-N 0 0 220.316 3.631 20 0 BHADRN CCC[C@H]1C[C@@H]1c1nc(C2CCCC2)no1 ZINC000359922746 387192205 /nfs/dbraw/zinc/19/22/05/387192205.db2.gz IDHJSGFBBNLYKX-QWRGUYRKSA-N 0 0 220.316 3.631 20 0 BHADRN CCC[C@H]1C[C@H]1c1nc(C2CCCC2)no1 ZINC000359922747 387192220 /nfs/dbraw/zinc/19/22/20/387192220.db2.gz IDHJSGFBBNLYKX-WDEREUQCSA-N 0 0 220.316 3.631 20 0 BHADRN CC[C@@H]1CCCN1C(=O)CC1CCC(C)CC1 ZINC000359945498 345822074 /nfs/dbraw/zinc/82/20/74/345822074.db2.gz FXQMCPVWVDTUBZ-JXQTWKCFSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCN1C(=O)CC1CCC(C)CC1 ZINC000359945499 384660110 /nfs/dbraw/zinc/66/01/10/384660110.db2.gz FXQMCPVWVDTUBZ-RUXDESIVSA-N 0 0 237.387 3.604 20 0 BHADRN Fc1cccnc1NC1CC(c2ccccc2)C1 ZINC000359947385 181015332 /nfs/dbraw/zinc/01/53/32/181015332.db2.gz PCSVVNRBOOEOIK-UHFFFAOYSA-N 0 0 242.297 3.579 20 0 BHADRN Cc1ncccc1OCc1cc2ccccc2o1 ZINC000359950682 180228419 /nfs/dbraw/zinc/22/84/19/180228419.db2.gz UGKRTKMBXWSKSS-UHFFFAOYSA-N 0 0 239.274 3.715 20 0 BHADRN Cc1nccc(Nc2cccc(C3CCC3)c2)n1 ZINC000359952822 180207590 /nfs/dbraw/zinc/20/75/90/180207590.db2.gz QNPLIQRVRGGYPA-UHFFFAOYSA-N 0 0 239.322 3.796 20 0 BHADRN CC1CCC(CC(=O)N2CCCC2(C)C)CC1 ZINC000359959377 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/nfs/dbraw/zinc/40/42/58/387404258.db2.gz LUGBMVXOLJJWOR-UHFFFAOYSA-N 0 0 241.309 3.650 20 0 BHADRN CC1(C)CCCN(c2nccc3occc32)CC1 ZINC000361113557 167899522 /nfs/dbraw/zinc/89/95/22/167899522.db2.gz ZJWPWFFMCWGMRV-UHFFFAOYSA-N 0 0 244.338 3.844 20 0 BHADRN Cc1ccc(Cl)c(Oc2ccnc(C)n2)c1 ZINC000361136325 387403209 /nfs/dbraw/zinc/40/32/09/387403209.db2.gz NTMFDAMNWXPDAX-UHFFFAOYSA-N 0 0 234.686 3.539 20 0 BHADRN CC[C@H](Nc1ccnc(C)n1)c1ccc(C)cc1 ZINC000361137618 387403766 /nfs/dbraw/zinc/40/37/66/387403766.db2.gz ZOCVQULLCISGSD-AWEZNQCLSA-N 0 0 241.338 3.657 20 0 BHADRN CC[C@@H](Nc1ccnc(C)n1)c1ccc(C)cc1 ZINC000361137619 356918368 /nfs/dbraw/zinc/91/83/68/356918368.db2.gz ZOCVQULLCISGSD-CQSZACIVSA-N 0 0 241.338 3.657 20 0 BHADRN Cc1ccc(Sc2ccnc(C)n2)c(C)c1 ZINC000361149904 387405993 /nfs/dbraw/zinc/40/59/93/387405993.db2.gz NFOBTZGWAMWALU-UHFFFAOYSA-N 0 0 230.336 3.553 20 0 BHADRN Cc1cc(C)c(C)c(Oc2ccnc(C)n2)c1 ZINC000361151870 387406646 /nfs/dbraw/zinc/40/66/46/387406646.db2.gz WCONFGXABDRIPY-UHFFFAOYSA-N 0 0 228.295 3.503 20 0 BHADRN Cc1ccc(C)c(Sc2ccnc(C)n2)c1 ZINC000361152359 387406843 /nfs/dbraw/zinc/40/68/43/387406843.db2.gz YAMPIOFILRWXPK-UHFFFAOYSA-N 0 0 230.336 3.553 20 0 BHADRN Cc1nccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000361159489 180204584 /nfs/dbraw/zinc/20/45/84/180204584.db2.gz MGKOPKPPWMRXKB-BFHYXJOUSA-N 0 0 245.370 3.556 20 0 BHADRN Cc1nccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000361159490 180206019 /nfs/dbraw/zinc/20/60/19/180206019.db2.gz MGKOPKPPWMRXKB-HZSPNIEDSA-N 0 0 245.370 3.556 20 0 BHADRN Cc1nccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000361159491 180206334 /nfs/dbraw/zinc/20/63/34/180206334.db2.gz MGKOPKPPWMRXKB-MELADBBJSA-N 0 0 245.370 3.556 20 0 BHADRN Cc1nccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000361159492 180206066 /nfs/dbraw/zinc/20/60/66/180206066.db2.gz MGKOPKPPWMRXKB-MGPQQGTHSA-N 0 0 245.370 3.556 20 0 BHADRN CCC[C@H](Nc1ccnc(C)n1)c1ccccc1 ZINC000361160312 387408501 /nfs/dbraw/zinc/40/85/01/387408501.db2.gz WNHOJIDZJCFHEA-AWEZNQCLSA-N 0 0 241.338 3.738 20 0 BHADRN CCC[C@@H](Nc1ccnc(C)n1)c1ccccc1 ZINC000361160313 387408472 /nfs/dbraw/zinc/40/84/72/387408472.db2.gz WNHOJIDZJCFHEA-CQSZACIVSA-N 0 0 241.338 3.738 20 0 BHADRN Cc1nccc(Oc2cccc(C(C)C)c2)n1 ZINC000361161179 180207290 /nfs/dbraw/zinc/20/72/90/180207290.db2.gz GSPBIVOTHDRIOQ-UHFFFAOYSA-N 0 0 228.295 3.701 20 0 BHADRN Cc1nccc(Oc2ccc(Cl)c(C)c2)n1 ZINC000361162176 180207247 /nfs/dbraw/zinc/20/72/47/180207247.db2.gz RSWOHBVGGABHEM-UHFFFAOYSA-N 0 0 234.686 3.539 20 0 BHADRN CCCc1cccc(CNc2cnoc2C)c1 ZINC000361166390 387411207 /nfs/dbraw/zinc/41/12/07/387411207.db2.gz MPPGMVMYPDEKLU-UHFFFAOYSA-N 0 0 230.311 3.548 20 0 BHADRN CC[C@@]1(C)CCCN(c2nccc3occc32)C1 ZINC000361176022 536040012 /nfs/dbraw/zinc/04/00/12/536040012.db2.gz BMYQRVVVUZHLEF-HNNXBMFYSA-N 0 0 244.338 3.844 20 0 BHADRN CC[C@]1(C)CCCN(c2nccc3occc32)C1 ZINC000361176023 132279950 /nfs/dbraw/zinc/27/99/50/132279950.db2.gz BMYQRVVVUZHLEF-OAHLLOKOSA-N 0 0 244.338 3.844 20 0 BHADRN CC(C)[C@@H](C)C(=O)N1CCCC12CCCCC2 ZINC000361177052 167347940 /nfs/dbraw/zinc/34/79/40/167347940.db2.gz HWGVCMQMAGBUHT-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)[C@H](C)C(=O)N1CCCC12CCCCC2 ZINC000361177053 188070377 /nfs/dbraw/zinc/07/03/77/188070377.db2.gz HWGVCMQMAGBUHT-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCCC12CCCCC2 ZINC000361177302 169348125 /nfs/dbraw/zinc/34/81/25/169348125.db2.gz IQKHQUBRTZURNC-CYBMUJFWSA-N 0 0 237.387 3.748 20 0 BHADRN CCC[C@H](C)C(=O)N1CCCC12CCCCC2 ZINC000361177304 169469381 /nfs/dbraw/zinc/46/93/81/169469381.db2.gz IQKHQUBRTZURNC-ZDUSSCGKSA-N 0 0 237.387 3.748 20 0 BHADRN Cc1cc(Oc2cc(Cl)ccc2C)ncn1 ZINC000361177742 178214862 /nfs/dbraw/zinc/21/48/62/178214862.db2.gz JKQMKZSVOWMUFP-UHFFFAOYSA-N 0 0 234.686 3.539 20 0 BHADRN Cc1cc(SCCC(C)C)nc(C2CC2)n1 ZINC000361181414 178218712 /nfs/dbraw/zinc/21/87/12/178218712.db2.gz MCEFTJPDODNTEL-UHFFFAOYSA-N 0 0 236.384 3.801 20 0 BHADRN Cc1ccnc(Oc2cc(Cl)ccc2C)n1 ZINC000361181607 179463651 /nfs/dbraw/zinc/46/36/51/179463651.db2.gz OTCVRXROHRDZNX-UHFFFAOYSA-N 0 0 234.686 3.539 20 0 BHADRN CC[C@@]1(C)CCCN(c2ccnc(C(C)C)n2)C1 ZINC000361188513 536039537 /nfs/dbraw/zinc/03/95/37/536039537.db2.gz STIHOFHFYIGOJX-HNNXBMFYSA-N 0 0 247.386 3.617 20 0 BHADRN CC[C@]1(C)CCCN(c2ccnc(C(C)C)n2)C1 ZINC000361188514 132279848 /nfs/dbraw/zinc/27/98/48/132279848.db2.gz STIHOFHFYIGOJX-OAHLLOKOSA-N 0 0 247.386 3.617 20 0 BHADRN CCC(C)(C)CC[S@](=O)Cc1ccccc1 ZINC000361221469 168277534 /nfs/dbraw/zinc/27/75/34/168277534.db2.gz RCVOGAIDWPAJHT-INIZCTEOSA-N 0 0 238.396 3.762 20 0 BHADRN CCC(C)(C)CC[S@@](=O)Cc1ccccc1 ZINC000361221470 168277640 /nfs/dbraw/zinc/27/76/40/168277640.db2.gz RCVOGAIDWPAJHT-MRXNPFEDSA-N 0 0 238.396 3.762 20 0 BHADRN Cc1nc2ccccc2c(SCC2CCC2)n1 ZINC000361222487 180031869 /nfs/dbraw/zinc/03/18/69/180031869.db2.gz YMFOKYBOSNBRJI-UHFFFAOYSA-N 0 0 244.363 3.830 20 0 BHADRN CCN(CC(C)(C)C)C(=O)c1ccoc1C1CC1 ZINC000361225304 387420523 /nfs/dbraw/zinc/42/05/23/387420523.db2.gz 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CC(C)c1nccc(S[C@H](C)C(C)C)n1 ZINC000361239476 167691446 /nfs/dbraw/zinc/69/14/46/167691446.db2.gz ZZHGUDIDJSKGDB-SNVBAGLBSA-N 0 0 224.373 3.737 20 0 BHADRN CCC(C)(C)CCSc1nnc(C)s1 ZINC000361253250 168277277 /nfs/dbraw/zinc/27/72/77/168277277.db2.gz URJOEZIATXPGNA-UHFFFAOYSA-N 0 0 230.402 3.765 20 0 BHADRN CCC[C@H]1C[C@H]1c1nc(-c2ccoc2C)no1 ZINC000361258797 387427398 /nfs/dbraw/zinc/42/73/98/387427398.db2.gz ANYDOMQXVOMBPB-GXSJLCMTSA-N 0 0 232.283 3.542 20 0 BHADRN CCC[C@@H]1C[C@@H]1c1nc(-c2ccoc2C)no1 ZINC000361258798 387425939 /nfs/dbraw/zinc/42/59/39/387425939.db2.gz ANYDOMQXVOMBPB-KOLCDFICSA-N 0 0 232.283 3.542 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2ccoc2C)no1 ZINC000361258799 387426654 /nfs/dbraw/zinc/42/66/54/387426654.db2.gz ANYDOMQXVOMBPB-MWLCHTKSSA-N 0 0 232.283 3.542 20 0 BHADRN CCC[C@H]1C[C@@H]1c1nc(-c2ccoc2C)no1 ZINC000361258800 387426880 /nfs/dbraw/zinc/42/68/80/387426880.db2.gz ANYDOMQXVOMBPB-ONGXEEELSA-N 0 0 232.283 3.542 20 0 BHADRN C[C@@H]1CN(Cc2ccsc2)c2ccccc2O1 ZINC000361260089 384335784 /nfs/dbraw/zinc/33/57/84/384335784.db2.gz FQPIEDUEGRVPLJ-LLVKDONJSA-N 0 0 245.347 3.536 20 0 BHADRN C[C@H]1CN(Cc2ccsc2)c2ccccc2O1 ZINC000361260091 384335771 /nfs/dbraw/zinc/33/57/71/384335771.db2.gz FQPIEDUEGRVPLJ-NSHDSACASA-N 0 0 245.347 3.536 20 0 BHADRN CCC[C@@H]1C[C@@H]1c1nc([C@H](C)SCC)no1 ZINC000361262719 387426392 /nfs/dbraw/zinc/42/63/92/387426392.db2.gz ORVNKQRROUBTES-AEJSXWLSSA-N 0 0 240.372 3.787 20 0 BHADRN CCC[C@@H]1C[C@@H]1c1nc([C@@H](C)SCC)no1 ZINC000361262720 387427471 /nfs/dbraw/zinc/42/74/71/387427471.db2.gz ORVNKQRROUBTES-BBBLOLIVSA-N 0 0 240.372 3.787 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc([C@H](C)SCC)no1 ZINC000361262721 169443532 /nfs/dbraw/zinc/44/35/32/169443532.db2.gz ORVNKQRROUBTES-IVZWLZJFSA-N 0 0 240.372 3.787 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc([C@@H](C)SCC)no1 ZINC000361262722 387426340 /nfs/dbraw/zinc/42/63/40/387426340.db2.gz ORVNKQRROUBTES-OPRDCNLKSA-N 0 0 240.372 3.787 20 0 BHADRN CCN(Cc1ccncc1)c1cc(C)cc(C)c1 ZINC000361266519 356922695 /nfs/dbraw/zinc/92/26/95/356922695.db2.gz NWJLYMRRTULMTN-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN CCC[C@H]1C[C@H]1c1nc(-c2cc(C)oc2C)no1 ZINC000361267537 169538917 /nfs/dbraw/zinc/53/89/17/169538917.db2.gz YRNSMCAAMNMZTO-CMPLNLGQSA-N 0 0 246.310 3.850 20 0 BHADRN CCC[C@H]1C[C@@H]1c1nc(-c2cc(C)oc2C)no1 ZINC000361267545 387430075 /nfs/dbraw/zinc/43/00/75/387430075.db2.gz YRNSMCAAMNMZTO-JQWIXIFHSA-N 0 0 246.310 3.850 20 0 BHADRN CCC[C@@H]1C[C@@H]1c1nc(-c2cc(C)oc2C)no1 ZINC000361267547 169434332 /nfs/dbraw/zinc/43/43/32/169434332.db2.gz YRNSMCAAMNMZTO-PWSUYJOCSA-N 0 0 246.310 3.850 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2cc(C)oc2C)no1 ZINC000361267549 387428675 /nfs/dbraw/zinc/42/86/75/387428675.db2.gz YRNSMCAAMNMZTO-ZYHUDNBSSA-N 0 0 246.310 3.850 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc([C@@H]2CCCS2)no1 ZINC000361274924 388637832 /nfs/dbraw/zinc/63/78/32/388637832.db2.gz ZWYDJTBNQOICTO-BBBLOLIVSA-N 0 0 238.356 3.541 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc([C@H]2CCCS2)no1 ZINC000361274926 169442967 /nfs/dbraw/zinc/44/29/67/169442967.db2.gz ZWYDJTBNQOICTO-OPRDCNLKSA-N 0 0 238.356 3.541 20 0 BHADRN CC/C=C(/C)c1nc(-c2cc(CC)ccn2)no1 ZINC000361276926 384348547 /nfs/dbraw/zinc/34/85/47/384348547.db2.gz PNXNTYDXLAAHRN-POHAHGRESA-N 0 0 243.310 3.507 20 0 BHADRN CC/C=C(\C)c1nc(-c2cc(CC)ccn2)no1 ZINC000361276927 384348776 /nfs/dbraw/zinc/34/87/76/384348776.db2.gz PNXNTYDXLAAHRN-UXBLZVDNSA-N 0 0 243.310 3.507 20 0 BHADRN CCc1cccc(C)c1NC(=O)C[C@@H]1C[C@@H]1C ZINC000361280302 187382765 /nfs/dbraw/zinc/38/27/65/187382765.db2.gz HYQIKGCZRKKQHL-AAEUAGOBSA-N 0 0 231.339 3.542 20 0 BHADRN CCc1cccc(C)c1NC(=O)C[C@H]1C[C@H]1C ZINC000361280303 387431919 /nfs/dbraw/zinc/43/19/19/387431919.db2.gz HYQIKGCZRKKQHL-DGCLKSJQSA-N 0 0 231.339 3.542 20 0 BHADRN CCc1cccc(C)c1NC(=O)C[C@H]1C[C@@H]1C ZINC000361280304 171854121 /nfs/dbraw/zinc/85/41/21/171854121.db2.gz HYQIKGCZRKKQHL-WCQYABFASA-N 0 0 231.339 3.542 20 0 BHADRN CCc1cccc(C)c1NC(=O)C[C@@H]1C[C@H]1C ZINC000361280305 387430940 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BHADRN CCCC1(C(=O)N(C)[C@H]2CCC(C)(C)C2)CC1 ZINC000362192042 387584453 /nfs/dbraw/zinc/58/44/53/387584453.db2.gz SLVMOBUWSLELDU-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C(=O)N(C)[C@@H]2CCC(C)(C)C2)CCC1 ZINC000362193304 168428410 /nfs/dbraw/zinc/42/84/10/168428410.db2.gz YLVJGMXRDCNBHZ-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C(=O)N(C)[C@H]2CCC(C)(C)C2)CCC1 ZINC000362193305 387584533 /nfs/dbraw/zinc/58/45/33/387584533.db2.gz YLVJGMXRDCNBHZ-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)CCCC1 ZINC000362194024 168428291 /nfs/dbraw/zinc/42/82/91/168428291.db2.gz YXLUGMJHXRMMOV-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C(=O)N(C)[C@H]2CC[C@@H](C)C2)CCCC1 ZINC000362194025 168427313 /nfs/dbraw/zinc/42/73/13/168427313.db2.gz YXLUGMJHXRMMOV-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C(=O)N(C)[C@@H]2CC[C@H](C)C2)CCCC1 ZINC000362194026 387584105 /nfs/dbraw/zinc/58/41/05/387584105.db2.gz YXLUGMJHXRMMOV-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 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Cc1nc(N(C)Cc2cccc(C)c2)sc1C ZINC000362354715 179072512 /nfs/dbraw/zinc/07/25/12/179072512.db2.gz XHKBSSFLTSUBKP-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN Cc1nc(N[C@@H](C)c2cccc(O)c2)sc1C ZINC000362355123 180022598 /nfs/dbraw/zinc/02/25/98/180022598.db2.gz YTDONJUUNGLHGH-VIFPVBQESA-N 0 0 248.351 3.639 20 0 BHADRN O=C(c1nc(C2CCC2)cs1)c1ccccc1 ZINC000362365430 388562104 /nfs/dbraw/zinc/56/21/04/388562104.db2.gz WOOPECVIZRHZLJ-UHFFFAOYSA-N 0 0 243.331 3.642 20 0 BHADRN CCC1(C)CCN(c2nc(C)c(C)s2)CC1 ZINC000362370889 387603350 /nfs/dbraw/zinc/60/33/50/387603350.db2.gz OBIKSZGFRXGGIJ-UHFFFAOYSA-N 0 0 238.400 3.776 20 0 BHADRN CC[C@@]1(C)CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000362384495 171199913 /nfs/dbraw/zinc/19/99/13/171199913.db2.gz GQASPILYKRYDMZ-HIFRSBDPSA-N 0 0 232.371 3.655 20 0 BHADRN CC[C@H](C)C[S@@](=O)[C@H](C)c1ccc(F)cc1 ZINC000362390262 171299906 /nfs/dbraw/zinc/29/99/06/171299906.db2.gz GEPAKTIHLKVIGY-LYOVBCGYSA-N 0 0 242.359 3.682 20 0 BHADRN CC[C@H](C)C[S@](=O)[C@@H](C)c1ccc(F)cc1 ZINC000362390263 171300629 /nfs/dbraw/zinc/30/06/29/171300629.db2.gz GEPAKTIHLKVIGY-MMPTUQATSA-N 0 0 242.359 3.682 20 0 BHADRN CC[C@H](C)C[S@](=O)[C@H](C)c1ccc(F)cc1 ZINC000362390264 171300552 /nfs/dbraw/zinc/30/05/52/171300552.db2.gz GEPAKTIHLKVIGY-USBNGQNGSA-N 0 0 242.359 3.682 20 0 BHADRN CC[C@H](C)C[S@@](=O)[C@@H](C)c1ccc(F)cc1 ZINC000362390265 171300221 /nfs/dbraw/zinc/30/02/21/171300221.db2.gz GEPAKTIHLKVIGY-XMZIXOGTSA-N 0 0 242.359 3.682 20 0 BHADRN COCCCSC(C)(C)c1ccccc1 ZINC000362394004 174259186 /nfs/dbraw/zinc/25/91/86/174259186.db2.gz BDTRXINGOXHHFX-UHFFFAOYSA-N 0 0 224.369 3.691 20 0 BHADRN CCCC(C)(C)CC(=O)N(C)c1cccc(C)n1 ZINC000362394801 387609099 /nfs/dbraw/zinc/60/90/99/387609099.db2.gz BNNOTGLDQHMVFI-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN Cc1ccnc(C)c1NC(=O)CCC1CCCC1 ZINC000362394827 187731192 /nfs/dbraw/zinc/73/11/92/187731192.db2.gz GAHVNCMMLXKGOP-UHFFFAOYSA-N 0 0 246.354 3.607 20 0 BHADRN Cc1nc(CSC(C)(C)c2ccccc2)no1 ZINC000362396550 387608012 /nfs/dbraw/zinc/60/80/12/387608012.db2.gz OINLMHUXSRPOFT-UHFFFAOYSA-N 0 0 248.351 3.547 20 0 BHADRN CC(=O)[C@@H](C)SC(C)(C)c1ccccc1 ZINC000362399265 187383608 /nfs/dbraw/zinc/38/36/08/187383608.db2.gz ZLQMKIKKHGUYHK-LLVKDONJSA-N 0 0 222.353 3.632 20 0 BHADRN CC(=O)[C@H](C)SC(C)(C)c1ccccc1 ZINC000362399266 387607966 /nfs/dbraw/zinc/60/79/66/387607966.db2.gz ZLQMKIKKHGUYHK-NSHDSACASA-N 0 0 222.353 3.632 20 0 BHADRN Cn1cncc1CSC(C)(C)c1ccccc1 ZINC000362400316 387608103 /nfs/dbraw/zinc/60/81/03/387608103.db2.gz DWYHFVMBZYQYFI-UHFFFAOYSA-N 0 0 246.379 3.589 20 0 BHADRN CCC(=O)CSC(C)(C)c1ccccc1 ZINC000362401592 168210668 /nfs/dbraw/zinc/21/06/68/168210668.db2.gz JKDZMPXFCKHTPA-UHFFFAOYSA-N 0 0 222.353 3.634 20 0 BHADRN Cc1nnc(CSC(C)(C)c2ccccc2)o1 ZINC000362402644 180415492 /nfs/dbraw/zinc/41/54/92/180415492.db2.gz MWCANHMJJRPVCU-UHFFFAOYSA-N 0 0 248.351 3.547 20 0 BHADRN Cn1ccnc1CSC(C)(C)c1ccccc1 ZINC000362402999 387608939 /nfs/dbraw/zinc/60/89/39/387608939.db2.gz 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/nfs/dbraw/zinc/55/26/25/385552625.db2.gz MUGJVLBJJMYBEQ-CYBMUJFWSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1cc(C)cc(NC(=O)N(C)[C@H]2CC2(C)C)c1 ZINC000362418577 177907195 /nfs/dbraw/zinc/90/71/95/177907195.db2.gz MUGJVLBJJMYBEQ-ZDUSSCGKSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@@H]2CC2(C)C)c(C)c1 ZINC000362418989 387610331 /nfs/dbraw/zinc/61/03/31/387610331.db2.gz NMWYHDQXXHMSFA-CYBMUJFWSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@H]2CC2(C)C)c(C)c1 ZINC000362418990 387610116 /nfs/dbraw/zinc/61/01/16/387610116.db2.gz NMWYHDQXXHMSFA-ZDUSSCGKSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@@H]2CC2(C)C)cc1C ZINC000362426392 387609957 /nfs/dbraw/zinc/60/99/57/387609957.db2.gz CVEJUQJWAJIWPC-CYBMUJFWSA-N 0 0 246.354 3.566 20 0 BHADRN Cc1ccc(NC(=O)N(C)[C@H]2CC2(C)C)cc1C ZINC000362426393 387610703 /nfs/dbraw/zinc/61/07/03/387610703.db2.gz CVEJUQJWAJIWPC-ZDUSSCGKSA-N 0 0 246.354 3.566 20 0 BHADRN C/C=C/C[S@](=O)CCC1C[C@H](C)C[C@@H](C)C1 ZINC000362429271 188071204 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/nfs/dbraw/zinc/45/49/09/168454909.db2.gz IUDCILMEUXFQEK-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC1(C(=O)N2CCC(CC)(CC)CC2)CC1 ZINC000362453986 168455949 /nfs/dbraw/zinc/45/59/49/168455949.db2.gz ZCKNYKLTYGPRNA-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN COCCSCCCSCC1CCCC1 ZINC000362459048 174375181 /nfs/dbraw/zinc/37/51/81/174375181.db2.gz FYTFJTRYAXIYCD-UHFFFAOYSA-N 0 0 248.457 3.680 20 0 BHADRN CSCCCN1CC[C@@H](C)c2ccccc21 ZINC000362464964 384607446 /nfs/dbraw/zinc/60/74/46/384607446.db2.gz QZXOXGQUCAYZTQ-GFCCVEGCSA-N 0 0 235.396 3.753 20 0 BHADRN CSCCCN1CC[C@H](C)c2ccccc21 ZINC000362464965 384609067 /nfs/dbraw/zinc/60/90/67/384609067.db2.gz QZXOXGQUCAYZTQ-LBPRGKRZSA-N 0 0 235.396 3.753 20 0 BHADRN CCN(CCCSC)c1ccc(F)c(F)c1 ZINC000362466712 387616796 /nfs/dbraw/zinc/61/67/96/387616796.db2.gz ZPHNHKNINMHACV-UHFFFAOYSA-N 0 0 245.338 3.544 20 0 BHADRN COCCSCCCSCCC(C)C ZINC000362474167 174375559 /nfs/dbraw/zinc/37/55/59/174375559.db2.gz QYTIPMACRXVXIO-UHFFFAOYSA-N 0 0 236.446 3.535 20 0 BHADRN CC[C@@H](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000362477793 535470486 /nfs/dbraw/zinc/47/04/86/535470486.db2.gz XXPCCJZGLHBLMO-CHWSQXEVSA-N 0 0 245.366 3.791 20 0 BHADRN CC[C@@H](C)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000362477794 535471394 /nfs/dbraw/zinc/47/13/94/535471394.db2.gz XXPCCJZGLHBLMO-OLZOCXBDSA-N 0 0 245.366 3.791 20 0 BHADRN CC[C@H](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000362477795 536116697 /nfs/dbraw/zinc/11/66/97/536116697.db2.gz XXPCCJZGLHBLMO-QWHCGFSZSA-N 0 0 245.366 3.791 20 0 BHADRN CC[C@H](C)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000362477796 536117135 /nfs/dbraw/zinc/11/71/35/536117135.db2.gz XXPCCJZGLHBLMO-STQMWFEESA-N 0 0 245.366 3.791 20 0 BHADRN CCC1(CC)CCN(C(=O)CCC2CC2)CC1 ZINC000362479618 168456374 /nfs/dbraw/zinc/45/63/74/168456374.db2.gz JCRDUSZTXXFCOU-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC1(C(=O)N2CCC[C@@H](C)CC2)CCCC1 ZINC000362498285 387621112 /nfs/dbraw/zinc/62/11/12/387621112.db2.gz LMOYMOACCXMRLS-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CCC1(C(=O)N2CCC[C@H](C)CC2)CCCC1 ZINC000362498288 168429447 /nfs/dbraw/zinc/42/94/47/168429447.db2.gz LMOYMOACCXMRLS-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN Fc1cc(Cl)cc(CN2CCC=C(F)C2)c1 ZINC000362503859 387620436 /nfs/dbraw/zinc/62/04/36/387620436.db2.gz BGBVJRYNNTZGRV-UHFFFAOYSA-N 0 0 243.684 3.538 20 0 BHADRN C[C@@H]1CC[C@@H](C)N(C(=O)CCC2CCCC2)C1 ZINC000362514683 176196831 /nfs/dbraw/zinc/19/68/31/176196831.db2.gz ZEHUTQXRPWFKCF-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CC[C@H](C)N(C(=O)CCC2CCCC2)C1 ZINC000362514684 177181941 /nfs/dbraw/zinc/18/19/41/177181941.db2.gz ZEHUTQXRPWFKCF-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CC[C@H](C)CN1C(=O)CCC1CCCC1 ZINC000362514685 177184035 /nfs/dbraw/zinc/18/40/35/177184035.db2.gz ZEHUTQXRPWFKCF-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CC[C@H](C)N(C(=O)CCC2CCCC2)C1 ZINC000362514686 177198068 /nfs/dbraw/zinc/19/80/68/177198068.db2.gz ZEHUTQXRPWFKCF-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CCCC(C)(C)CC(=O)Nc1ccc(C)nc1C ZINC000362522747 387624272 /nfs/dbraw/zinc/62/42/72/387624272.db2.gz CRNFVXHSBQXTHI-UHFFFAOYSA-N 0 0 248.370 3.853 20 0 BHADRN CCCC(C)(C)CC(=O)Nc1cncc(C)c1 ZINC000362530631 387623481 /nfs/dbraw/zinc/62/34/81/387623481.db2.gz XEZWOTOJXCXJBO-UHFFFAOYSA-N 0 0 234.343 3.545 20 0 BHADRN CCCCC(=O)Nc1sc(CCC)nc1C ZINC000362531465 387625012 /nfs/dbraw/zinc/62/50/12/387625012.db2.gz DKWFPOADZOIDET-UHFFFAOYSA-N 0 0 240.372 3.533 20 0 BHADRN CCCC(C)(C)CC(=O)Nc1cccnc1C ZINC000362534406 168573843 /nfs/dbraw/zinc/57/38/43/168573843.db2.gz PMQJRNNVDVUBKI-UHFFFAOYSA-N 0 0 234.343 3.545 20 0 BHADRN CCOCc1ccc(NC(=O)CCC(C)C)cc1 ZINC000362534622 387626985 /nfs/dbraw/zinc/62/69/85/387626985.db2.gz NOYMTDSZOPYHOP-UHFFFAOYSA-N 0 0 249.354 3.598 20 0 BHADRN CCC(C)(C)CC(=O)Nc1ccccc1C(C)=O ZINC000362540936 168274755 /nfs/dbraw/zinc/27/47/55/168274755.db2.gz RASCCIXYSAJDLB-UHFFFAOYSA-N 0 0 247.338 3.654 20 0 BHADRN CCC(C)(C)CC(=O)Nc1cccc(COC)c1 ZINC000362541201 168274982 /nfs/dbraw/zinc/27/49/82/168274982.db2.gz TUQYCANNQNJRLY-UHFFFAOYSA-N 0 0 249.354 3.598 20 0 BHADRN CCC(C)(C)CC(=O)N1C[C@@H](C)c2ccccc21 ZINC000362549954 168271905 /nfs/dbraw/zinc/27/19/05/168271905.db2.gz BMSNPGDOKHXFOM-GFCCVEGCSA-N 0 0 245.366 3.963 20 0 BHADRN CCC(C)(C)CC(=O)N1C[C@H](C)c2ccccc21 ZINC000362549955 168271671 /nfs/dbraw/zinc/27/16/71/168271671.db2.gz BMSNPGDOKHXFOM-LBPRGKRZSA-N 0 0 245.366 3.963 20 0 BHADRN CCC(C)(C)CC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000362550304 168272247 /nfs/dbraw/zinc/27/22/47/168272247.db2.gz HIXDMYNUHTZAJC-CYBMUJFWSA-N 0 0 248.370 3.505 20 0 BHADRN CCC(C)(C)CC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000362550306 168272224 /nfs/dbraw/zinc/27/22/24/168272224.db2.gz HIXDMYNUHTZAJC-ZDUSSCGKSA-N 0 0 248.370 3.505 20 0 BHADRN CCC(C)(C)CC(=O)N(C)Cc1cccs1 ZINC000362551240 168271837 /nfs/dbraw/zinc/27/18/37/168271837.db2.gz JSVXUKFGRJRWCD-UHFFFAOYSA-N 0 0 239.384 3.533 20 0 BHADRN CCC(C)(C)CC(=O)N(C)[C@H](C)c1ccco1 ZINC000362551439 168271284 /nfs/dbraw/zinc/27/12/84/168271284.db2.gz MHAKOBXIYNIJCS-LLVKDONJSA-N 0 0 237.343 3.625 20 0 BHADRN CCC(C)(C)CC(=O)N(C)[C@@H](C)c1ccco1 ZINC000362551452 168271667 /nfs/dbraw/zinc/27/16/67/168271667.db2.gz MHAKOBXIYNIJCS-NSHDSACASA-N 0 0 237.343 3.625 20 0 BHADRN CCC(C)(C)CC(=O)Nc1nc(C)c(C)s1 ZINC000362551983 168275287 /nfs/dbraw/zinc/27/52/87/168275287.db2.gz PQORUZAUOLDRCA-UHFFFAOYSA-N 0 0 240.372 3.525 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCCc2occc21 ZINC000362553555 168274901 /nfs/dbraw/zinc/27/49/01/168274901.db2.gz VUDBAKYHOFSLLT-GFCCVEGCSA-N 0 0 249.354 3.600 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H]1CCCc2occc21 ZINC000362553556 168275015 /nfs/dbraw/zinc/27/50/15/168275015.db2.gz VUDBAKYHOFSLLT-LBPRGKRZSA-N 0 0 249.354 3.600 20 0 BHADRN CCN(C(=O)CC(C)(C)CC)c1ccccc1 ZINC000362553740 387628461 /nfs/dbraw/zinc/62/84/61/387628461.db2.gz XFDGYPDUVQEGLM-UHFFFAOYSA-N 0 0 233.355 3.866 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NC(C)C ZINC000362554762 179224681 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249.398 3.605 20 0 BHADRN O=C(CCCC1CCCC1)N1CC[C@@H](C2CC2)C1 ZINC000374308508 387441184 /nfs/dbraw/zinc/44/11/84/387441184.db2.gz GGYJRNKXRQNEPL-OAHLLOKOSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(C1CCCCCCC1)N1CC[C@H](C2CC2)C1 ZINC000374312490 181870154 /nfs/dbraw/zinc/87/01/54/181870154.db2.gz VMIHYSCTOQJSNG-HNNXBMFYSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(C1CCCCCCC1)N1CC[C@@H](C2CC2)C1 ZINC000374312492 387439458 /nfs/dbraw/zinc/43/94/58/387439458.db2.gz VMIHYSCTOQJSNG-OAHLLOKOSA-N 0 0 249.398 3.605 20 0 BHADRN CC(C)SCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000374342263 167323055 /nfs/dbraw/zinc/32/30/55/167323055.db2.gz PYQUMJWEBKDSFC-GFCCVEGCSA-N 0 0 239.384 3.558 20 0 BHADRN CCc1ccccc1N[C@H]1CCC12CCOCC2 ZINC000374344261 387446129 /nfs/dbraw/zinc/44/61/29/387446129.db2.gz CSXDMBWODIFCCQ-HNNXBMFYSA-N 0 0 245.366 3.620 20 0 BHADRN CCc1ccccc1N[C@@H]1CCC12CCOCC2 ZINC000374344262 387445181 /nfs/dbraw/zinc/44/51/81/387445181.db2.gz CSXDMBWODIFCCQ-OAHLLOKOSA-N 0 0 245.366 3.620 20 0 BHADRN 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168015068 /nfs/dbraw/zinc/01/50/68/168015068.db2.gz PUSUATHXYLYELR-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(CCC1CC1)N1CCC2(C1)CCCCCC2 ZINC000378007491 181898363 /nfs/dbraw/zinc/89/83/63/181898363.db2.gz QBAVGKZVUNUPRF-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN CCCC(=O)N1[C@@H](c2ccccc2)CCC[C@@H]1C ZINC000378041550 387761274 /nfs/dbraw/zinc/76/12/74/387761274.db2.gz FBTVIKPJODXQHI-DZGCQCFKSA-N 0 0 245.366 3.929 20 0 BHADRN CCCC(=O)N1[C@H](C)CCC[C@H]1c1ccccc1 ZINC000378041556 387761511 /nfs/dbraw/zinc/76/15/11/387761511.db2.gz FBTVIKPJODXQHI-HIFRSBDPSA-N 0 0 245.366 3.929 20 0 BHADRN CCCC(=O)N1[C@H](C)CCC[C@@H]1c1ccccc1 ZINC000378041558 168543359 /nfs/dbraw/zinc/54/33/59/168543359.db2.gz FBTVIKPJODXQHI-UKRRQHHQSA-N 0 0 245.366 3.929 20 0 BHADRN CCCC(=O)N1[C@@H](C)CCC[C@H]1c1ccccc1 ZINC000378041559 387761282 /nfs/dbraw/zinc/76/12/82/387761282.db2.gz FBTVIKPJODXQHI-ZFWWWQNUSA-N 0 0 245.366 3.929 20 0 BHADRN O=C(C1CCCCCC1)N1C[C@H]2CCCCC[C@@H]21 ZINC000378078668 387763276 /nfs/dbraw/zinc/76/32/76/387763276.db2.gz OYHSYZJZFSRJPF-CABCVRRESA-N 0 0 249.398 3.748 20 0 BHADRN O=C(C1CCCCCC1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000378078670 387764050 /nfs/dbraw/zinc/76/40/50/387764050.db2.gz OYHSYZJZFSRJPF-GJZGRUSLSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(C1CCCCCC1)N1C[C@H]2CCCCC[C@H]21 ZINC000378078672 181869915 /nfs/dbraw/zinc/86/99/15/181869915.db2.gz OYHSYZJZFSRJPF-HUUCEWRRSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(C1CCCCCC1)N1C[C@@H]2CCCCC[C@H]21 ZINC000378078674 387763090 /nfs/dbraw/zinc/76/30/90/387763090.db2.gz OYHSYZJZFSRJPF-LSDHHAIUSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(CCC1CCCC1)N1C[C@H]2CCCCC[C@@H]21 ZINC000378082527 387764059 /nfs/dbraw/zinc/76/40/59/387764059.db2.gz HLXJZFUNQNEYPL-CABCVRRESA-N 0 0 249.398 3.748 20 0 BHADRN O=C(CCC1CCCC1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000378082528 387763437 /nfs/dbraw/zinc/76/34/37/387763437.db2.gz HLXJZFUNQNEYPL-GJZGRUSLSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(CCC1CCCC1)N1C[C@H]2CCCCC[C@H]21 ZINC000378082529 387763504 /nfs/dbraw/zinc/76/35/04/387763504.db2.gz HLXJZFUNQNEYPL-HUUCEWRRSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(CCC1CCCC1)N1C[C@@H]2CCCCC[C@H]21 ZINC000378082530 387762654 /nfs/dbraw/zinc/76/26/54/387762654.db2.gz HLXJZFUNQNEYPL-LSDHHAIUSA-N 0 0 249.398 3.748 20 0 BHADRN CCC1(C(=O)N2C[C@@H]3CCCCC[C@@H]32)CCCC1 ZINC000378122556 387764867 /nfs/dbraw/zinc/76/48/67/387764867.db2.gz TVUICBHBYWAOEJ-KBPBESRZSA-N 0 0 249.398 3.748 20 0 BHADRN CCC1(C(=O)N2C[C@H]3CCCCC[C@@H]32)CCCC1 ZINC000378122557 387765887 /nfs/dbraw/zinc/76/58/87/387765887.db2.gz TVUICBHBYWAOEJ-KGLIPLIRSA-N 0 0 249.398 3.748 20 0 BHADRN CCC1(C(=O)N2C[C@@H]3CCCCC[C@H]32)CCCC1 ZINC000378122558 387765362 /nfs/dbraw/zinc/76/53/62/387765362.db2.gz TVUICBHBYWAOEJ-UONOGXRCSA-N 0 0 249.398 3.748 20 0 BHADRN CCC1(C(=O)N2C[C@H]3CCCCC[C@H]32)CCCC1 ZINC000378122559 387766026 /nfs/dbraw/zinc/76/60/26/387766026.db2.gz TVUICBHBYWAOEJ-ZIAGYGMSSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(C[C@@H]1C=CCC1)N1C[C@@H]2CCCCCC[C@@H]21 ZINC000378158253 182013386 /nfs/dbraw/zinc/01/33/86/182013386.db2.gz KGARTHJIGXNNQW-ILXRZTDVSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1C=CCC1)N1C[C@H]2CCCCCC[C@@H]21 ZINC000378158254 182013727 /nfs/dbraw/zinc/01/37/27/182013727.db2.gz KGARTHJIGXNNQW-KFWWJZLASA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1C=CCC1)N1C[C@@H]2CCCCCC[C@H]21 ZINC000378158255 182013250 /nfs/dbraw/zinc/01/32/50/182013250.db2.gz KGARTHJIGXNNQW-QLFBSQMISA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1C=CCC1)N1C[C@H]2CCCCCC[C@H]21 ZINC000378158256 182013725 /nfs/dbraw/zinc/01/37/25/182013725.db2.gz KGARTHJIGXNNQW-RBSFLKMASA-N 0 0 247.382 3.524 20 0 BHADRN Cc1ccc(CNc2cccc3c2OCCC3)o1 ZINC000378162301 387769288 /nfs/dbraw/zinc/76/92/88/387769288.db2.gz UYBNQZOADYOZCX-UHFFFAOYSA-N 0 0 243.306 3.525 20 0 BHADRN CCCCN(CC)C(=O)c1ccc([C@H]2C[C@H]2C)o1 ZINC000378231621 387773585 /nfs/dbraw/zinc/77/35/85/387773585.db2.gz JWCVLDWYOKKSIR-NEPJUHHUSA-N 0 0 249.354 3.665 20 0 BHADRN CCCCN(CC)C(=O)c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000378231622 387773423 /nfs/dbraw/zinc/77/34/23/387773423.db2.gz JWCVLDWYOKKSIR-NWDGAFQWSA-N 0 0 249.354 3.665 20 0 BHADRN CCCCN(CC)C(=O)c1ccc([C@H]2C[C@@H]2C)o1 ZINC000378231623 387773548 /nfs/dbraw/zinc/77/35/48/387773548.db2.gz JWCVLDWYOKKSIR-RYUDHWBXSA-N 0 0 249.354 3.665 20 0 BHADRN CCCCN(CC)C(=O)c1ccc([C@@H]2C[C@H]2C)o1 ZINC000378231624 387773279 /nfs/dbraw/zinc/77/32/79/387773279.db2.gz JWCVLDWYOKKSIR-VXGBXAGGSA-N 0 0 249.354 3.665 20 0 BHADRN CC(C)N(C(=O)c1ccc([C@H]2C[C@H]2C)o1)C(C)C ZINC000378255973 188079224 /nfs/dbraw/zinc/07/92/24/188079224.db2.gz PMHMZBCLKLQBJT-NEPJUHHUSA-N 0 0 249.354 3.662 20 0 BHADRN CC(C)N(C(=O)c1ccc([C@@H]2C[C@@H]2C)o1)C(C)C ZINC000378255977 187390200 /nfs/dbraw/zinc/39/02/00/187390200.db2.gz PMHMZBCLKLQBJT-NWDGAFQWSA-N 0 0 249.354 3.662 20 0 BHADRN CC(C)N(C(=O)c1ccc([C@H]2C[C@@H]2C)o1)C(C)C ZINC000378255978 188078970 /nfs/dbraw/zinc/07/89/70/188078970.db2.gz PMHMZBCLKLQBJT-RYUDHWBXSA-N 0 0 249.354 3.662 20 0 BHADRN CC(C)N(C(=O)c1ccc([C@@H]2C[C@H]2C)o1)C(C)C ZINC000378255979 387773655 /nfs/dbraw/zinc/77/36/55/387773655.db2.gz PMHMZBCLKLQBJT-VXGBXAGGSA-N 0 0 249.354 3.662 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)N1CC2CCC1CC2 ZINC000378375188 175657283 /nfs/dbraw/zinc/65/72/83/175657283.db2.gz FSANRGWBDGTHDQ-GRTSSRMGSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)N1CC2CCC1CC2 ZINC000378375191 176614536 /nfs/dbraw/zinc/61/45/36/176614536.db2.gz FSANRGWBDGTHDQ-LRVUVFPRSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(C)CCCC(=O)N1CC2CCC1CC2 ZINC000378380563 387781427 /nfs/dbraw/zinc/78/14/27/387781427.db2.gz CREQVXIKXFXSGQ-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CC1(CC(=O)N2CC3CCC2CC3)CCCCC1 ZINC000378385040 168015174 /nfs/dbraw/zinc/01/51/74/168015174.db2.gz WOFGHSYMSSLOHR-UHFFFAOYSA-N 0 0 249.398 3.748 20 0 BHADRN c1c[nH]c([C@@H]2CCC[N@H+]2CCCC2CCCC2)n1 ZINC000378434717 183327573 /nfs/dbraw/zinc/32/75/73/183327573.db2.gz LMNKROAGCIBXDB-AWEZNQCLSA-N 0 0 247.386 3.517 20 0 BHADRN C[C@@H](Nc1cccc2c1OCCC2)c1ccoc1 ZINC000378473604 175933152 /nfs/dbraw/zinc/93/31/52/175933152.db2.gz KYWCCXOTXIBQAO-LLVKDONJSA-N 0 0 243.306 3.778 20 0 BHADRN C[C@H](Nc1cccc2c1OCCC2)c1ccoc1 ZINC000378473605 176935803 /nfs/dbraw/zinc/93/58/03/176935803.db2.gz KYWCCXOTXIBQAO-NSHDSACASA-N 0 0 243.306 3.778 20 0 BHADRN O=C(CCC1CC1)N1CCCC12CCCCCC2 ZINC000378508932 387786961 /nfs/dbraw/zinc/78/69/61/387786961.db2.gz UOUXUMRVZURULA-UHFFFAOYSA-N 0 0 249.398 3.892 20 0 BHADRN C[C@H]1CC[C@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000378605822 177208504 /nfs/dbraw/zinc/20/85/04/177208504.db2.gz BNFRFVAUGMIYQA-BBRMVZONSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CC[C@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000378605823 176238659 /nfs/dbraw/zinc/23/86/59/176238659.db2.gz BNFRFVAUGMIYQA-CJNGLKHVSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CC[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000378605824 176218842 /nfs/dbraw/zinc/21/88/42/176218842.db2.gz BNFRFVAUGMIYQA-CZUORRHYSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H]1CC[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000378605825 188078666 /nfs/dbraw/zinc/07/86/66/188078666.db2.gz BNFRFVAUGMIYQA-XJKSGUPXSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)CCC1 ZINC000378611307 387790768 /nfs/dbraw/zinc/79/07/68/387790768.db2.gz OXHWNZJIKIGYOI-DZGCQCFKSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)CCC1 ZINC000378611310 387790729 /nfs/dbraw/zinc/79/07/29/387790729.db2.gz OXHWNZJIKIGYOI-HIFRSBDPSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)CCC1 ZINC000378611313 387791531 /nfs/dbraw/zinc/79/15/31/387791531.db2.gz OXHWNZJIKIGYOI-UKRRQHHQSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)CCC1 ZINC000378611316 387791143 /nfs/dbraw/zinc/79/11/43/387791143.db2.gz OXHWNZJIKIGYOI-ZFWWWQNUSA-N 0 0 249.398 3.605 20 0 BHADRN Clc1ccc(N[C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000378666356 385458498 /nfs/dbraw/zinc/45/84/98/385458498.db2.gz GPQAGTDJKQMWHX-BIMULSAOSA-N 0 0 221.731 3.941 20 0 BHADRN Clc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000378666357 385458467 /nfs/dbraw/zinc/45/84/67/385458467.db2.gz GPQAGTDJKQMWHX-ZWKOPEQDSA-N 0 0 221.731 3.941 20 0 BHADRN N#Cc1cccc(Cl)c1N[C@H]1CCC[C@H]1F ZINC000378669390 371013337 /nfs/dbraw/zinc/01/33/37/371013337.db2.gz CHOWAJGSUBTWAP-MNOVXSKESA-N 0 0 238.693 3.514 20 0 BHADRN C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1 ZINC000378670335 346801147 /nfs/dbraw/zinc/80/11/47/346801147.db2.gz JOLVBTIIXWYRQW-IACUBPJLSA-N 0 0 221.319 3.618 20 0 BHADRN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1 ZINC000378670340 346801225 /nfs/dbraw/zinc/80/12/25/346801225.db2.gz JOLVBTIIXWYRQW-MRVWCRGKSA-N 0 0 221.319 3.618 20 0 BHADRN c1ccc2sc(N[C@@H]3C[C@H]3C3CC3)nc2c1 ZINC000378673165 385460806 /nfs/dbraw/zinc/46/08/06/385460806.db2.gz MDMFDXZBFFMVRK-GXSJLCMTSA-N 0 0 230.336 3.507 20 0 BHADRN Cc1cc(Cl)cc(C)c1CNCC(C)(F)F ZINC000378680843 346805719 /nfs/dbraw/zinc/80/57/19/346805719.db2.gz VXHCNYMKCGKGEW-UHFFFAOYSA-N 0 0 247.716 3.702 20 0 BHADRN Clc1cccc(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000378716906 488101261 /nfs/dbraw/zinc/10/12/61/488101261.db2.gz CNCYCDKLIVDOFV-BIMULSAOSA-N 0 0 221.731 3.941 20 0 BHADRN C[C@H](CNCC(C)(F)F)c1cccc(Cl)c1 ZINC000378733493 346820542 /nfs/dbraw/zinc/82/05/42/346820542.db2.gz BMNOKJPTXOEVLD-SECBINFHSA-N 0 0 247.716 3.688 20 0 BHADRN C[C@@H](CNCC(C)(F)F)c1cccc(Cl)c1 ZINC000378733502 356694538 /nfs/dbraw/zinc/69/45/38/356694538.db2.gz BMNOKJPTXOEVLD-VIFPVBQESA-N 0 0 247.716 3.688 20 0 BHADRN CC(F)(F)CN[C@@H]1CCc2c1cccc2Cl ZINC000378750057 346823784 /nfs/dbraw/zinc/82/37/84/346823784.db2.gz NZAKLUYFYPALHC-LLVKDONJSA-N 0 0 245.700 3.572 20 0 BHADRN CC(F)(F)CN[C@H]1CCc2c1cccc2Cl ZINC000378750063 346824302 /nfs/dbraw/zinc/82/43/02/346824302.db2.gz NZAKLUYFYPALHC-NSHDSACASA-N 0 0 245.700 3.572 20 0 BHADRN CC(F)(F)CNCc1cc2ccccc2s1 ZINC000378753305 346823912 /nfs/dbraw/zinc/82/39/12/346823912.db2.gz QEENGYDIRGNRTM-UHFFFAOYSA-N 0 0 241.306 3.646 20 0 BHADRN CC(C)C[C@@H](C)Nc1cccc(C2CC2)n1 ZINC000378770556 712360596 /nfs/dbraw/zinc/36/05/96/712360596.db2.gz BYYLYRZAZYMKJK-LLVKDONJSA-N 0 0 218.344 3.806 20 0 BHADRN CC(C)C[C@H](C)Nc1cccc(C2CC2)n1 ZINC000378770557 712360343 /nfs/dbraw/zinc/36/03/43/712360343.db2.gz BYYLYRZAZYMKJK-NSHDSACASA-N 0 0 218.344 3.806 20 0 BHADRN CC[C@@H](NCC(C)(F)F)c1ccc(C)cc1 ZINC000378774187 385503395 /nfs/dbraw/zinc/50/33/95/385503395.db2.gz DKOSDDQBWBGOTI-GFCCVEGCSA-N 0 0 227.298 3.691 20 0 BHADRN CC[C@H](NCC(C)(F)F)c1ccc(C)cc1 ZINC000378774191 385504127 /nfs/dbraw/zinc/50/41/27/385504127.db2.gz DKOSDDQBWBGOTI-LBPRGKRZSA-N 0 0 227.298 3.691 20 0 BHADRN CC[C@@H](NCC(C)(F)F)c1cccc(F)c1 ZINC000378776393 346830016 /nfs/dbraw/zinc/83/00/16/346830016.db2.gz FLMLHXMZANBLPH-LLVKDONJSA-N 0 0 231.261 3.522 20 0 BHADRN CC[C@H](NCC(C)(F)F)c1cccc(F)c1 ZINC000378776395 346829850 /nfs/dbraw/zinc/82/98/50/346829850.db2.gz FLMLHXMZANBLPH-NSHDSACASA-N 0 0 231.261 3.522 20 0 BHADRN Cc1ccc([C@@H](C)NCC(C)(F)F)c(C)c1 ZINC000378777722 346829945 /nfs/dbraw/zinc/82/99/45/346829945.db2.gz FXTLOOPNXOZYJK-LLVKDONJSA-N 0 0 227.298 3.609 20 0 BHADRN Cc1ccc([C@H](C)NCC(C)(F)F)c(C)c1 ZINC000378777728 346830222 /nfs/dbraw/zinc/83/02/22/346830222.db2.gz FXTLOOPNXOZYJK-NSHDSACASA-N 0 0 227.298 3.609 20 0 BHADRN CSCSCc1cc(C)cc(C)c1 ZINC000378784459 712361448 /nfs/dbraw/zinc/36/14/48/712361448.db2.gz JCMRMHWLAIZGRO-UHFFFAOYSA-N 0 0 212.383 3.857 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NCC(C)(F)F)c1 ZINC000378785661 346832411 /nfs/dbraw/zinc/83/24/11/346832411.db2.gz JQMDIUKCEXJUQS-LLVKDONJSA-N 0 0 227.298 3.609 20 0 BHADRN Cc1cc(C)cc([C@H](C)NCC(C)(F)F)c1 ZINC000378785662 346832696 /nfs/dbraw/zinc/83/26/96/346832696.db2.gz JQMDIUKCEXJUQS-NSHDSACASA-N 0 0 227.298 3.609 20 0 BHADRN CC[C@@H](NCC(C)(F)F)c1ccc(F)cc1 ZINC000378786488 385506125 /nfs/dbraw/zinc/50/61/25/385506125.db2.gz KFENRKFZFZXGTD-LLVKDONJSA-N 0 0 231.261 3.522 20 0 BHADRN CC[C@H](NCC(C)(F)F)c1ccc(F)cc1 ZINC000378786489 385505249 /nfs/dbraw/zinc/50/52/49/385505249.db2.gz KFENRKFZFZXGTD-NSHDSACASA-N 0 0 231.261 3.522 20 0 BHADRN Cc1ccc(N[C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000378788709 488104806 /nfs/dbraw/zinc/10/48/06/488104806.db2.gz MKCFOJLNJUHEBH-YUTCNCBUSA-N 0 0 201.313 3.596 20 0 BHADRN CSCSCc1cccc(Cl)c1 ZINC000378791512 712361841 /nfs/dbraw/zinc/36/18/41/712361841.db2.gz MXAGMYOQAQDIOE-UHFFFAOYSA-N 0 0 218.774 3.894 20 0 BHADRN C[C@H](NCC(C)(F)F)c1ccc(Cl)cc1 ZINC000378794516 385512028 /nfs/dbraw/zinc/51/20/28/385512028.db2.gz PHNROMDYVJXSFY-QMMMGPOBSA-N 0 0 233.689 3.646 20 0 BHADRN CC[C@@H](NCC(C)(F)F)c1cccc(C)c1 ZINC000378803178 346838426 /nfs/dbraw/zinc/83/84/26/346838426.db2.gz WDWIILZHIAQCKS-GFCCVEGCSA-N 0 0 227.298 3.691 20 0 BHADRN CC[C@H](NCC(C)(F)F)c1cccc(C)c1 ZINC000378803179 346838438 /nfs/dbraw/zinc/83/84/38/346838438.db2.gz WDWIILZHIAQCKS-LBPRGKRZSA-N 0 0 227.298 3.691 20 0 BHADRN C[C@H](NCC(C)(F)F)c1ccc(Cl)s1 ZINC000378807977 371020853 /nfs/dbraw/zinc/02/08/53/371020853.db2.gz ZMBSBPAOAWRJFA-LURJTMIESA-N 0 0 239.718 3.707 20 0 BHADRN C[C@@H](NCC(C)(F)F)c1ccc(Cl)s1 ZINC000378807978 371020810 /nfs/dbraw/zinc/02/08/10/371020810.db2.gz ZMBSBPAOAWRJFA-ZCFIWIBFSA-N 0 0 239.718 3.707 20 0 BHADRN CC1(CNc2ccc(C3CCC3)cn2)CC1 ZINC000378846851 346845486 /nfs/dbraw/zinc/84/54/86/346845486.db2.gz AJSKAHTZMAJCED-UHFFFAOYSA-N 0 0 216.328 3.561 20 0 BHADRN Cc1cccc([C@@H](C)NCC(C)(F)F)c1C ZINC000378848155 346846068 /nfs/dbraw/zinc/84/60/68/346846068.db2.gz BNBIVXIYIVHOQQ-LLVKDONJSA-N 0 0 227.298 3.609 20 0 BHADRN Cc1cccc([C@H](C)NCC(C)(F)F)c1C ZINC000378848156 346846187 /nfs/dbraw/zinc/84/61/87/346846187.db2.gz BNBIVXIYIVHOQQ-NSHDSACASA-N 0 0 227.298 3.609 20 0 BHADRN C[C@H](NCC(C)(F)F)c1csc(Cl)c1 ZINC000378848937 346846802 /nfs/dbraw/zinc/84/68/02/346846802.db2.gz CJWLUNNYPSAINV-LURJTMIESA-N 0 0 239.718 3.707 20 0 BHADRN C[C@@H](NCC(C)(F)F)c1csc(Cl)c1 ZINC000378848938 346846656 /nfs/dbraw/zinc/84/66/56/346846656.db2.gz CJWLUNNYPSAINV-ZCFIWIBFSA-N 0 0 239.718 3.707 20 0 BHADRN CSCS[C@H](C)c1ccc(F)cc1 ZINC000378850606 712366468 /nfs/dbraw/zinc/36/64/68/712366468.db2.gz DYTRKBPKUFXXDE-MRVPVSSYSA-N 0 0 216.346 3.940 20 0 BHADRN CSCS[C@@H](C)c1ccc(F)cc1 ZINC000378850607 712365922 /nfs/dbraw/zinc/36/59/22/712365922.db2.gz DYTRKBPKUFXXDE-QMMMGPOBSA-N 0 0 216.346 3.940 20 0 BHADRN CCSCOc1ccc(Cl)cc1F ZINC000378851464 712366173 /nfs/dbraw/zinc/36/61/73/712366173.db2.gz FXJXPRRNKQNMGL-UHFFFAOYSA-N 0 0 220.696 3.569 20 0 BHADRN C[C@@H](NCC(C)(F)F)c1cccc(Cl)c1 ZINC000378853696 346844253 /nfs/dbraw/zinc/84/42/53/346844253.db2.gz ICBAIXFSYWAPDV-MRVPVSSYSA-N 0 0 233.689 3.646 20 0 BHADRN C[C@H](NCC(C)(F)F)c1cccc(Cl)c1 ZINC000378853697 346844228 /nfs/dbraw/zinc/84/42/28/346844228.db2.gz ICBAIXFSYWAPDV-QMMMGPOBSA-N 0 0 233.689 3.646 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)[C@]1(C)CCCO1 ZINC000378856240 346849771 /nfs/dbraw/zinc/84/97/71/346849771.db2.gz KMYQCFDLTFNVBP-GWCFXTLKSA-N 0 0 239.746 3.710 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)[C@@]1(C)CCCO1 ZINC000378856241 346849459 /nfs/dbraw/zinc/84/94/59/346849459.db2.gz KMYQCFDLTFNVBP-GXFFZTMASA-N 0 0 239.746 3.710 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)[C@]1(C)CCCO1 ZINC000378856242 346849756 /nfs/dbraw/zinc/84/97/56/346849756.db2.gz KMYQCFDLTFNVBP-MFKMUULPSA-N 0 0 239.746 3.710 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)[C@@]1(C)CCCO1 ZINC000378856243 346849779 /nfs/dbraw/zinc/84/97/79/346849779.db2.gz KMYQCFDLTFNVBP-ZWNOBZJWSA-N 0 0 239.746 3.710 20 0 BHADRN CCSCSc1cccc(F)c1 ZINC000378862528 712364116 /nfs/dbraw/zinc/36/41/16/712364116.db2.gz TWBMZGIUYXYZPD-UHFFFAOYSA-N 0 0 202.319 3.628 20 0 BHADRN CCC[C@@H](NCC(C)(F)F)c1ccccc1 ZINC000378862539 346848105 /nfs/dbraw/zinc/84/81/05/346848105.db2.gz TWWKUTBIIUASBM-GFCCVEGCSA-N 0 0 227.298 3.773 20 0 BHADRN CCC[C@H](NCC(C)(F)F)c1ccccc1 ZINC000378862540 346847875 /nfs/dbraw/zinc/84/78/75/346847875.db2.gz TWWKUTBIIUASBM-LBPRGKRZSA-N 0 0 227.298 3.773 20 0 BHADRN CCOCSCc1ccc(Cl)cc1 ZINC000378863443 712364580 /nfs/dbraw/zinc/36/45/80/712364580.db2.gz VNQJKPRGSGQREZ-UHFFFAOYSA-N 0 0 216.733 3.567 20 0 BHADRN C[C@@H](NCC(C)(F)F)c1ccccc1Cl ZINC000378864464 345675276 /nfs/dbraw/zinc/67/52/76/345675276.db2.gz XKBLQRCWWHMNIY-MRVPVSSYSA-N 0 0 233.689 3.646 20 0 BHADRN C[C@H](NCC(C)(F)F)c1ccccc1Cl ZINC000378864465 345675719 /nfs/dbraw/zinc/67/57/19/345675719.db2.gz XKBLQRCWWHMNIY-QMMMGPOBSA-N 0 0 233.689 3.646 20 0 BHADRN CCOCSC1CCC(C)(C)CC1 ZINC000378865267 712365003 /nfs/dbraw/zinc/36/50/03/712365003.db2.gz YXWDGUBHKZLRSL-UHFFFAOYSA-N 0 0 202.363 3.682 20 0 BHADRN CC(F)(F)CNCc1csc2ccccc12 ZINC000378873764 346850160 /nfs/dbraw/zinc/85/01/60/346850160.db2.gz VDMCVXIXVNPXQY-UHFFFAOYSA-N 0 0 241.306 3.646 20 0 BHADRN Cc1nc2cc(N[C@@H]3CCC[C@@H]4C[C@@H]43)ccc2o1 ZINC000378876130 488108667 /nfs/dbraw/zinc/10/86/67/488108667.db2.gz AJYRPJQUSHLAGZ-KGYLQXTDSA-N 0 0 242.322 3.737 20 0 BHADRN Cc1nc2cc(N[C@H]3CCC[C@@H]4C[C@@H]43)ccc2o1 ZINC000378876131 488108882 /nfs/dbraw/zinc/10/88/82/488108882.db2.gz AJYRPJQUSHLAGZ-WXHSDQCUSA-N 0 0 242.322 3.737 20 0 BHADRN Cc1ccccc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378913171 488113042 /nfs/dbraw/zinc/11/30/42/488113042.db2.gz KGQZZMXZJNIZLE-DYEKYZERSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1cc(C#N)ccc1NC[C@]1(C)CCCS1 ZINC000378913270 712367210 /nfs/dbraw/zinc/36/72/10/712367210.db2.gz VVUIIPLDEIDWRR-AWEZNQCLSA-N 0 0 246.379 3.564 20 0 BHADRN Cc1cc(C#N)ccc1NC[C@@]1(C)CCCS1 ZINC000378913271 712366978 /nfs/dbraw/zinc/36/69/78/712366978.db2.gz VVUIIPLDEIDWRR-CQSZACIVSA-N 0 0 246.379 3.564 20 0 BHADRN Cc1cc(C#N)ccc1NC[C@H]1CCCCS1 ZINC000378914971 712367110 /nfs/dbraw/zinc/36/71/10/712367110.db2.gz YCAVHTNVDWYENP-CYBMUJFWSA-N 0 0 246.379 3.564 20 0 BHADRN Cc1cc(C#N)ccc1NC[C@@H]1CCCCS1 ZINC000378914972 712367023 /nfs/dbraw/zinc/36/70/23/712367023.db2.gz YCAVHTNVDWYENP-ZDUSSCGKSA-N 0 0 246.379 3.564 20 0 BHADRN Cc1cc(C#N)ccc1N[C@H](C)CC(F)(F)F ZINC000378915682 712367244 /nfs/dbraw/zinc/36/72/44/712367244.db2.gz ZBAMHTHRWKWJNK-SECBINFHSA-N 0 0 242.244 3.620 20 0 BHADRN Cc1cc(C#N)ccc1N[C@@H](C)CC(F)(F)F ZINC000378915684 712367182 /nfs/dbraw/zinc/36/71/82/712367182.db2.gz ZBAMHTHRWKWJNK-VIFPVBQESA-N 0 0 242.244 3.620 20 0 BHADRN Cc1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378916563 712366837 /nfs/dbraw/zinc/36/68/37/712366837.db2.gz MKCFOJLNJUHEBH-XBFCOCLRSA-N 0 0 201.313 3.596 20 0 BHADRN CCC(CC)CNC(=O)c1csc(Cl)c1 ZINC000378991356 538976165 /nfs/dbraw/zinc/97/61/65/538976165.db2.gz JNHZOPZRFYTVIQ-UHFFFAOYSA-N 0 0 245.775 3.568 20 0 BHADRN CCCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000379009086 712368137 /nfs/dbraw/zinc/36/81/37/712368137.db2.gz JTTPVRFQVIGSSJ-BFHYXJOUSA-N 0 0 249.402 3.837 20 0 BHADRN CCCCCC[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000379009087 712367631 /nfs/dbraw/zinc/36/76/31/712367631.db2.gz JTTPVRFQVIGSSJ-IHRRRGAJSA-N 0 0 249.402 3.837 20 0 BHADRN CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000379009088 712367969 /nfs/dbraw/zinc/36/79/69/712367969.db2.gz JTTPVRFQVIGSSJ-MELADBBJSA-N 0 0 249.402 3.837 20 0 BHADRN CCCCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000379009089 712368041 /nfs/dbraw/zinc/36/80/41/712368041.db2.gz JTTPVRFQVIGSSJ-MJBXVCDLSA-N 0 0 249.402 3.837 20 0 BHADRN CCc1ccc(COc2ccc(F)cc2F)nc1 ZINC000379018795 345772107 /nfs/dbraw/zinc/77/21/07/345772107.db2.gz ARTWXBAJNLQGHL-UHFFFAOYSA-N 0 0 249.260 3.501 20 0 BHADRN Cc1csc(C(=O)N(C)c2ccccc2C)c1 ZINC000379031639 384875720 /nfs/dbraw/zinc/87/57/20/384875720.db2.gz DYNOLEOUSULNIR-UHFFFAOYSA-N 0 0 245.347 3.642 20 0 BHADRN C[C@@H](Nc1ccccc1OC(F)F)C1CCC1 ZINC000379037768 346895437 /nfs/dbraw/zinc/89/54/37/346895437.db2.gz GEXMQSPDECVXIZ-SECBINFHSA-N 0 0 241.281 3.889 20 0 BHADRN C[C@H](Nc1ccccc1OC(F)F)C1CCC1 ZINC000379037769 346895517 /nfs/dbraw/zinc/89/55/17/346895517.db2.gz GEXMQSPDECVXIZ-VIFPVBQESA-N 0 0 241.281 3.889 20 0 BHADRN CCOc1cc(F)ccc1N[C@@H](C)C1CCC1 ZINC000379038740 346897568 /nfs/dbraw/zinc/89/75/68/346897568.db2.gz KYSRPSVGUFNVRF-JTQLQIEISA-N 0 0 237.318 3.825 20 0 BHADRN CCOc1cc(F)ccc1N[C@H](C)C1CCC1 ZINC000379038741 346898040 /nfs/dbraw/zinc/89/80/40/346898040.db2.gz KYSRPSVGUFNVRF-SNVBAGLBSA-N 0 0 237.318 3.825 20 0 BHADRN C[C@@H](Nc1cccc(OC(F)F)c1)C1CCC1 ZINC000379039964 346898726 /nfs/dbraw/zinc/89/87/26/346898726.db2.gz RINBFVTVVFJXFR-SECBINFHSA-N 0 0 241.281 3.889 20 0 BHADRN C[C@H](Nc1cccc(OC(F)F)c1)C1CCC1 ZINC000379039965 346898565 /nfs/dbraw/zinc/89/85/65/346898565.db2.gz RINBFVTVVFJXFR-VIFPVBQESA-N 0 0 241.281 3.889 20 0 BHADRN CC(=O)Nc1ccc(N[C@H](C)C2CCC2)cc1C ZINC000379045790 712369032 /nfs/dbraw/zinc/36/90/32/712369032.db2.gz QXNYKLXKZFCJLK-LLVKDONJSA-N 0 0 246.354 3.554 20 0 BHADRN CC(=O)Nc1ccc(N[C@@H](C)C2CCC2)cc1C ZINC000379045791 712368442 /nfs/dbraw/zinc/36/84/42/712368442.db2.gz QXNYKLXKZFCJLK-NSHDSACASA-N 0 0 246.354 3.554 20 0 BHADRN C[C@H](Nc1ccc2c(c1)OC(C)(C)O2)C1CCC1 ZINC000379046133 712368526 /nfs/dbraw/zinc/36/85/26/712368526.db2.gz ULFRVLWFBYAWRJ-JTQLQIEISA-N 0 0 247.338 3.794 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)C1CCC1 ZINC000379046134 712368467 /nfs/dbraw/zinc/36/84/67/712368467.db2.gz ULFRVLWFBYAWRJ-SNVBAGLBSA-N 0 0 247.338 3.794 20 0 BHADRN CCc1cccc(NC(=O)c2cc(C)cs2)c1 ZINC000379053224 346943159 /nfs/dbraw/zinc/94/31/59/346943159.db2.gz MIJDKCIXDBHJQM-UHFFFAOYSA-N 0 0 245.347 3.871 20 0 BHADRN Cc1csc(C(=O)N(C)c2ccc(C)cc2)c1 ZINC000379068119 711697062 /nfs/dbraw/zinc/69/70/62/711697062.db2.gz SGUBWUVVWLHQQI-UHFFFAOYSA-N 0 0 245.347 3.642 20 0 BHADRN Cc1csc(C(=O)Nc2cccc(C)c2C)c1 ZINC000379086385 347446071 /nfs/dbraw/zinc/44/60/71/347446071.db2.gz ZJCICLIEKMCSPN-UHFFFAOYSA-N 0 0 245.347 3.926 20 0 BHADRN C[C@@H](Nc1cccc2ncccc21)C1CCC1 ZINC000379096859 352545689 /nfs/dbraw/zinc/54/56/89/352545689.db2.gz LSYWKMBCNFVGOF-LLVKDONJSA-N 0 0 226.323 3.835 20 0 BHADRN C[C@H](Nc1cccc2ncccc21)C1CCC1 ZINC000379096860 352545541 /nfs/dbraw/zinc/54/55/41/352545541.db2.gz LSYWKMBCNFVGOF-NSHDSACASA-N 0 0 226.323 3.835 20 0 BHADRN Cc1csc(C(=O)N(C)[C@@H](C)C(C)(C)C)c1 ZINC000379097051 352545579 /nfs/dbraw/zinc/54/55/79/352545579.db2.gz GAWWLPQUZUQUEB-JTQLQIEISA-N 0 0 239.384 3.563 20 0 BHADRN Cc1csc(C(=O)N(C)[C@H](C)C(C)(C)C)c1 ZINC000379097052 352545875 /nfs/dbraw/zinc/54/58/75/352545875.db2.gz 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ZINC000379185714 388595929 /nfs/dbraw/zinc/59/59/29/388595929.db2.gz HKQBJYMVPJSQQV-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN Cc1csc(C(=O)Nc2ccc(F)cc2C)c1 ZINC000379187436 356431656 /nfs/dbraw/zinc/43/16/56/356431656.db2.gz HUTVKLUJXKKFFC-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN CCc1ccc(COc2cccc(Cl)c2)nc1 ZINC000379194234 356432694 /nfs/dbraw/zinc/43/26/94/356432694.db2.gz JIFIVMOFFPCBCF-UHFFFAOYSA-N 0 0 247.725 3.876 20 0 BHADRN FCCCSCCC(Cl)(Cl)Cl ZINC000379210274 712371005 /nfs/dbraw/zinc/37/10/05/712371005.db2.gz DLEFFSKTIVJBFS-UHFFFAOYSA-N 0 0 239.570 3.840 20 0 BHADRN CCc1ccc(COc2ccccc2Cl)nc1 ZINC000379218332 388599468 /nfs/dbraw/zinc/59/94/68/388599468.db2.gz PCLURAVMEPVSPR-UHFFFAOYSA-N 0 0 247.725 3.876 20 0 BHADRN Fc1cc(OC/C=C\Cl)ccc1Cl ZINC000379233242 712370950 /nfs/dbraw/zinc/37/09/50/712370950.db2.gz NVWGVSSFJZKSSP-RJRFIUFISA-N 0 0 221.058 3.610 20 0 BHADRN Cc1csc(C(=O)Nc2cccc(F)c2C)c1 ZINC000379234692 356434776 /nfs/dbraw/zinc/43/47/76/356434776.db2.gz 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CO[C@H](COc1ccc(C)cc1)c1ccccc1 ZINC000379252090 356437983 /nfs/dbraw/zinc/43/79/83/356437983.db2.gz CPJRGGFSBPPGJL-MRXNPFEDSA-N 0 0 242.318 3.762 20 0 BHADRN CC(F)(F)CCNc1ccc(C#N)cc1Cl ZINC000379253402 712371915 /nfs/dbraw/zinc/37/19/15/712371915.db2.gz HEBIDTAGJAPTNN-UHFFFAOYSA-N 0 0 244.672 3.669 20 0 BHADRN CO[C@@H](COc1cccc(C)c1)c1ccccc1 ZINC000379256411 356438236 /nfs/dbraw/zinc/43/82/36/356438236.db2.gz FLHNZPIAWGLCGO-INIZCTEOSA-N 0 0 242.318 3.762 20 0 BHADRN CO[C@H](COc1cccc(C)c1)c1ccccc1 ZINC000379256412 356437805 /nfs/dbraw/zinc/43/78/05/356437805.db2.gz FLHNZPIAWGLCGO-MRXNPFEDSA-N 0 0 242.318 3.762 20 0 BHADRN Fc1ccc(Cl)cc1NC/C=C\Cl ZINC000379257958 360598519 /nfs/dbraw/zinc/59/85/19/360598519.db2.gz YTASCBTVHMJLOI-RJRFIUFISA-N 0 0 220.074 3.644 20 0 BHADRN Cc1ccc(NC/C=C\Cl)cc1Cl ZINC000379259216 712371796 /nfs/dbraw/zinc/37/17/96/712371796.db2.gz LVKXGCYYVNULCM-DJWKRKHSSA-N 0 0 216.111 3.813 20 0 BHADRN CO[C@@H](CNc1ccc(C)cc1)c1ccccc1 ZINC000379262021 356436858 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CC[C@@H](C)CSCCC(F)(F)F ZINC000379315274 356441863 /nfs/dbraw/zinc/44/18/63/356441863.db2.gz SARACTMACGGGHG-SSDOTTSWSA-N 0 0 200.269 3.718 20 0 BHADRN CC[C@H](C)CSCCC(F)(F)F ZINC000379315275 356441383 /nfs/dbraw/zinc/44/13/83/356441383.db2.gz SARACTMACGGGHG-ZETCQYMHSA-N 0 0 200.269 3.718 20 0 BHADRN CC(C)CSCCSC(C)(C)C ZINC000379317306 712372827 /nfs/dbraw/zinc/37/28/27/712372827.db2.gz FFQSSFQVTZKSRK-UHFFFAOYSA-N 0 0 206.420 3.907 20 0 BHADRN CC(C)C(C)(C)SCC(F)(F)F ZINC000379317514 712372818 /nfs/dbraw/zinc/37/28/18/712372818.db2.gz GETNFVBXAGTPND-UHFFFAOYSA-N 0 0 200.269 3.717 20 0 BHADRN CC(C)[C@@H](C)SC[C@H]1CC1(Cl)Cl ZINC000379317575 711799468 /nfs/dbraw/zinc/79/94/68/711799468.db2.gz GLNNTXNTCOUEKI-HTQZYQBOSA-N 0 0 227.200 3.958 20 0 BHADRN CC(C)[C@H](C)SC[C@H]1CC1(Cl)Cl ZINC000379317576 712373272 /nfs/dbraw/zinc/37/32/72/712373272.db2.gz GLNNTXNTCOUEKI-JGVFFNPUSA-N 0 0 227.200 3.958 20 0 BHADRN CC(C)[C@@H](C)SC[C@@H]1CC1(Cl)Cl ZINC000379317577 712373165 /nfs/dbraw/zinc/37/31/65/712373165.db2.gz GLNNTXNTCOUEKI-SFYZADRCSA-N 0 0 227.200 3.958 20 0 BHADRN CC(C)[C@H](C)SC[C@@H]1CC1(Cl)Cl ZINC000379317578 711799582 /nfs/dbraw/zinc/79/95/82/711799582.db2.gz GLNNTXNTCOUEKI-YUMQZZPRSA-N 0 0 227.200 3.958 20 0 BHADRN CCC(C)(C)CCSCCSC ZINC000379317677 712373245 /nfs/dbraw/zinc/37/32/45/712373245.db2.gz GYVKONFFXPZKHM-UHFFFAOYSA-N 0 0 206.420 3.909 20 0 BHADRN CC(C)SCCSCCC1CC1 ZINC000379318041 711799480 /nfs/dbraw/zinc/79/94/80/711799480.db2.gz IZNWFIAFHPGUPE-UHFFFAOYSA-N 0 0 204.404 3.661 20 0 BHADRN CC[C@H](C)CSCCSC(C)C ZINC000379319183 712373615 /nfs/dbraw/zinc/37/36/15/712373615.db2.gz PFCBJKKKOFGDRR-JTQLQIEISA-N 0 0 206.420 3.907 20 0 BHADRN CC[C@@H](C)CSCCSC(C)C ZINC000379319184 712373680 /nfs/dbraw/zinc/37/36/80/712373680.db2.gz PFCBJKKKOFGDRR-SNVBAGLBSA-N 0 0 206.420 3.907 20 0 BHADRN CC[C@@H](C)CSC[C@H]1CC1(Cl)Cl ZINC000379320450 712373720 /nfs/dbraw/zinc/37/37/20/712373720.db2.gz WPXKUPQDSMHVTO-HTQZYQBOSA-N 0 0 227.200 3.960 20 0 BHADRN CC[C@H](C)CSC[C@H]1CC1(Cl)Cl ZINC000379320451 712373954 /nfs/dbraw/zinc/37/39/54/712373954.db2.gz WPXKUPQDSMHVTO-JGVFFNPUSA-N 0 0 227.200 3.960 20 0 BHADRN CC[C@@H](C)CSC[C@@H]1CC1(Cl)Cl ZINC000379320452 712373743 /nfs/dbraw/zinc/37/37/43/712373743.db2.gz WPXKUPQDSMHVTO-SFYZADRCSA-N 0 0 227.200 3.960 20 0 BHADRN CC[C@H](C)CSC[C@@H]1CC1(Cl)Cl ZINC000379320453 711799507 /nfs/dbraw/zinc/79/95/07/711799507.db2.gz WPXKUPQDSMHVTO-YUMQZZPRSA-N 0 0 227.200 3.960 20 0 BHADRN CC(C)=CCSCCSC(C)C ZINC000379320703 711799554 /nfs/dbraw/zinc/79/95/54/711799554.db2.gz YBTCRRIKIRZAMH-UHFFFAOYSA-N 0 0 204.404 3.827 20 0 BHADRN CC(C)SCCSCC(C)(C)C ZINC000379320802 711799499 /nfs/dbraw/zinc/79/94/99/711799499.db2.gz YRCBPTITWSDVDI-UHFFFAOYSA-N 0 0 206.420 3.907 20 0 BHADRN CC(C)CCCSCC(F)(F)F ZINC000379322635 356445480 /nfs/dbraw/zinc/44/54/80/356445480.db2.gz KISCIHHGMKUQEC-UHFFFAOYSA-N 0 0 200.269 3.718 20 0 BHADRN CC(C)(C)SCCSCCCF ZINC000379322749 712373756 /nfs/dbraw/zinc/37/37/56/712373756.db2.gz 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/nfs/dbraw/zinc/37/38/08/712373808.db2.gz UHRGKYVQGZALJD-QMMMGPOBSA-N 0 0 201.360 3.732 20 0 BHADRN CC/C=C/CCSCCSCC ZINC000379325321 712373631 /nfs/dbraw/zinc/37/36/31/712373631.db2.gz BTLFCOOIHPUUHW-AATRIKPKSA-N 0 0 204.404 3.829 20 0 BHADRN CC/C=C\CCSCCSCC ZINC000379325322 712373643 /nfs/dbraw/zinc/37/36/43/712373643.db2.gz BTLFCOOIHPUUHW-WAYWQWQTSA-N 0 0 204.404 3.829 20 0 BHADRN CCSCCSCCCCCF ZINC000379325380 712373943 /nfs/dbraw/zinc/37/39/43/712373943.db2.gz BZMALAVRXPWFFK-UHFFFAOYSA-N 0 0 210.383 3.613 20 0 BHADRN Fc1ccc(SC/C=C\Cl)cc1 ZINC000379326345 712373616 /nfs/dbraw/zinc/37/36/16/712373616.db2.gz HLWMATXHYWSDBU-BHQIHCQQSA-N 0 0 202.681 3.670 20 0 BHADRN Cl/C=C\CSc1ncccc1Cl ZINC000379326421 712374061 /nfs/dbraw/zinc/37/40/61/712374061.db2.gz HWPVSUFMFCJZNT-RQOWECAXSA-N 0 0 220.124 3.580 20 0 BHADRN CCC(CC)SCCC(F)(F)F ZINC000379326630 356445115 /nfs/dbraw/zinc/44/51/15/356445115.db2.gz IUABULGHJWOFNO-UHFFFAOYSA-N 0 0 200.269 3.861 20 0 BHADRN CCSCSc1ccccc1F ZINC000379326956 712373978 /nfs/dbraw/zinc/37/39/78/712373978.db2.gz BNGZDEVODKITDO-UHFFFAOYSA-N 0 0 202.319 3.628 20 0 BHADRN CCSCCSCCC(C)(C)C ZINC000379327385 712373800 /nfs/dbraw/zinc/37/38/00/712373800.db2.gz KKLJORWNAQZYFN-UHFFFAOYSA-N 0 0 206.420 3.909 20 0 BHADRN CCC[C@@H](CC)SCC(F)(F)F ZINC000379328264 356446146 /nfs/dbraw/zinc/44/61/46/356446146.db2.gz OPCXAWYDKMNPIG-SSDOTTSWSA-N 0 0 200.269 3.861 20 0 BHADRN CCC[C@H](CC)SCC(F)(F)F ZINC000379328265 356446142 /nfs/dbraw/zinc/44/61/42/356446142.db2.gz OPCXAWYDKMNPIG-ZETCQYMHSA-N 0 0 200.269 3.861 20 0 BHADRN CCCSCc1ccccc1Cl ZINC000379328587 356446221 /nfs/dbraw/zinc/44/62/21/356446221.db2.gz QERGOTOSPPEBTJ-UHFFFAOYSA-N 0 0 200.734 3.983 20 0 BHADRN CCC(CC)SCc1cscn1 ZINC000379328653 712374307 /nfs/dbraw/zinc/37/43/07/712374307.db2.gz QOGIJYOWOJBZHT-UHFFFAOYSA-N 0 0 201.360 3.565 20 0 BHADRN Fc1cccc(SC/C=C\Cl)c1 ZINC000379330610 712373923 /nfs/dbraw/zinc/37/39/23/712373923.db2.gz XRSKDZLWQNXWLM-DJWKRKHSSA-N 0 0 202.681 3.670 20 0 BHADRN CSCCCc1ccccc1Cl ZINC000379331091 356446064 /nfs/dbraw/zinc/44/60/64/356446064.db2.gz ZUKFKEDINPVSAT-UHFFFAOYSA-N 0 0 200.734 3.636 20 0 BHADRN CSCCSCc1ccc(Cl)s1 ZINC000379331147 712374492 /nfs/dbraw/zinc/37/44/92/712374492.db2.gz CEWLFIPUAIPOTF-UHFFFAOYSA-N 0 0 238.830 3.998 20 0 BHADRN CCSCCSC[C@H]1CC1(Cl)Cl ZINC000379332689 712374751 /nfs/dbraw/zinc/37/47/51/712374751.db2.gz HVSQLGOASWAIRS-SSDOTTSWSA-N 0 0 245.240 3.667 20 0 BHADRN CCSCCSC[C@@H]1CC1(Cl)Cl ZINC000379332690 711799614 /nfs/dbraw/zinc/79/96/14/711799614.db2.gz HVSQLGOASWAIRS-ZETCQYMHSA-N 0 0 245.240 3.667 20 0 BHADRN FCCCCSC[C@H]1CC1(Cl)Cl ZINC000379334990 712374359 /nfs/dbraw/zinc/37/43/59/712374359.db2.gz NLPBMASJFSMVHN-SSDOTTSWSA-N 0 0 231.163 3.663 20 0 BHADRN FCCCCSC[C@@H]1CC1(Cl)Cl ZINC000379334999 712374555 /nfs/dbraw/zinc/37/45/55/712374555.db2.gz NLPBMASJFSMVHN-ZETCQYMHSA-N 0 0 231.163 3.663 20 0 BHADRN FCCCSc1ccc(Cl)cc1 ZINC000379337145 356447082 /nfs/dbraw/zinc/44/70/82/356447082.db2.gz VTBDVORWDQRBLM-UHFFFAOYSA-N 0 0 204.697 3.792 20 0 BHADRN Cc1occc1SC/C(Cl)=C\Cl ZINC000379337937 712375005 /nfs/dbraw/zinc/37/50/05/712375005.db2.gz AHLNVSPRWVUICA-QPJJXVBHSA-N 0 0 223.124 3.999 20 0 BHADRN CCCCCS[C@H](C)C(F)(F)F ZINC000379338480 356447561 /nfs/dbraw/zinc/44/75/61/356447561.db2.gz KZIWIHFVGVQRJV-SSDOTTSWSA-N 0 0 200.269 3.861 20 0 BHADRN CCCCCS[C@@H](C)C(F)(F)F ZINC000379338574 356447750 /nfs/dbraw/zinc/44/77/50/356447750.db2.gz KZIWIHFVGVQRJV-ZETCQYMHSA-N 0 0 200.269 3.861 20 0 BHADRN CCCCCCSCCCCOC ZINC000379352727 711799874 /nfs/dbraw/zinc/79/98/74/711799874.db2.gz CLLSRAYRDNGFEW-UHFFFAOYSA-N 0 0 204.379 3.727 20 0 BHADRN FC(F)C(F)(F)CSc1cccs1 ZINC000379353008 712375137 /nfs/dbraw/zinc/37/51/37/712375137.db2.gz DPLAULVTAPBHOL-UHFFFAOYSA-N 0 0 230.251 3.741 20 0 BHADRN CCC(=O)CSC(CC)(CC)CC ZINC000379353361 712375739 /nfs/dbraw/zinc/37/57/39/712375739.db2.gz FCFBVOOGYVOURB-UHFFFAOYSA-N 0 0 202.363 3.668 20 0 BHADRN Cc1ccccc1CSC/C=C\Cl ZINC000379353432 712375674 /nfs/dbraw/zinc/37/56/74/712375674.db2.gz FINRMFNCLXTHPF-DAXSKMNVSA-N 0 0 212.745 3.981 20 0 BHADRN Cc1ccccc1CSC/C=C/Cl ZINC000379353433 711799815 /nfs/dbraw/zinc/79/98/15/711799815.db2.gz FINRMFNCLXTHPF-QPJJXVBHSA-N 0 0 212.745 3.981 20 0 BHADRN CCC(CC)(CC)S[C@H](C)COC ZINC000379357397 711800056 /nfs/dbraw/zinc/80/00/56/711800056.db2.gz RDGIARNJQBPMHQ-SNVBAGLBSA-N 0 0 204.379 3.723 20 0 BHADRN Fc1ccc(F)c(SC/C=C\Cl)c1 ZINC000379357748 711800076 /nfs/dbraw/zinc/80/00/76/711800076.db2.gz SLACXYZNNRKEBV-RJRFIUFISA-N 0 0 220.671 3.809 20 0 BHADRN Clc1ccc(SCCC2CC2)nc1 ZINC000379359211 356450849 /nfs/dbraw/zinc/45/08/49/356450849.db2.gz XRIUZPZTBFVEOL-UHFFFAOYSA-N 0 0 213.733 3.627 20 0 BHADRN Cc1nc(SCCC2CC2)sc1C ZINC000379360918 712376420 /nfs/dbraw/zinc/37/64/20/712376420.db2.gz BYKDQUBLVDYSCF-UHFFFAOYSA-N 0 0 213.371 3.652 20 0 BHADRN CC[C@@H](F)COc1cccc(Br)c1 ZINC000379363225 356450773 /nfs/dbraw/zinc/45/07/73/356450773.db2.gz JKXTWJFCHNUIRJ-SECBINFHSA-N 0 0 247.107 3.576 20 0 BHADRN CC[C@H](F)COc1cccc(Br)c1 ZINC000379363226 356450707 /nfs/dbraw/zinc/45/07/07/356450707.db2.gz JKXTWJFCHNUIRJ-VIFPVBQESA-N 0 0 247.107 3.576 20 0 BHADRN CCCCSCCCOC(C)(C)C ZINC000379364190 343097578 /nfs/dbraw/zinc/09/75/78/343097578.db2.gz LVWFTCJVLLQFKQ-UHFFFAOYSA-N 0 0 204.379 3.725 20 0 BHADRN CCOCCCSC(C)(C)C(C)C ZINC000379364656 711800483 /nfs/dbraw/zinc/80/04/83/711800483.db2.gz MZVQTSZNEWUQNV-UHFFFAOYSA-N 0 0 204.379 3.581 20 0 BHADRN CCCCCSCCC(C)(C)OC ZINC000379366114 356447475 /nfs/dbraw/zinc/44/74/75/356447475.db2.gz QYTPDTZVJISYMS-UHFFFAOYSA-N 0 0 204.379 3.725 20 0 BHADRN CCC[C@@H](CC)SCCOC(C)C ZINC000379366278 356447381 /nfs/dbraw/zinc/44/73/81/356447381.db2.gz RHOVSPGDJLNCNQ-LLVKDONJSA-N 0 0 204.379 3.723 20 0 BHADRN CCC[C@H](CC)SCCOC(C)C ZINC000379366279 356447754 /nfs/dbraw/zinc/44/77/54/356447754.db2.gz RHOVSPGDJLNCNQ-NSHDSACASA-N 0 0 204.379 3.723 20 0 BHADRN CC[C@@H](F)COc1ccccc1Br ZINC000379366530 356447398 /nfs/dbraw/zinc/44/73/98/356447398.db2.gz RQWNDYSRRLOWIB-MRVPVSSYSA-N 0 0 247.107 3.576 20 0 BHADRN CC[C@H](F)COc1ccccc1Br ZINC000379366531 356447306 /nfs/dbraw/zinc/44/73/06/356447306.db2.gz RQWNDYSRRLOWIB-QMMMGPOBSA-N 0 0 247.107 3.576 20 0 BHADRN FC(F)(F)CCCCSCC1CC1 ZINC000379367285 356447311 /nfs/dbraw/zinc/44/73/11/356447311.db2.gz UNZUDAAGTBJWOP-UHFFFAOYSA-N 0 0 212.280 3.862 20 0 BHADRN CCOCSc1cc(Cl)ccc1F ZINC000379367346 712377451 /nfs/dbraw/zinc/37/74/51/712377451.db2.gz USXYUSONLSYJAX-UHFFFAOYSA-N 0 0 220.696 3.565 20 0 BHADRN Cl/C=C(\Cl)CSC[C@H]1CCCCO1 ZINC000379369259 712378086 /nfs/dbraw/zinc/37/80/86/712378086.db2.gz DIXGFMXNWWTENY-BZJXQOFCSA-N 0 0 241.183 3.608 20 0 BHADRN Cl/C=C(/Cl)CSC[C@@H]1CCCCO1 ZINC000379369261 712378152 /nfs/dbraw/zinc/37/81/52/712378152.db2.gz DIXGFMXNWWTENY-QRJSTWQJSA-N 0 0 241.183 3.608 20 0 BHADRN Cl/C=C(\Cl)CSC[C@@H]1CCCCO1 ZINC000379369263 711800454 /nfs/dbraw/zinc/80/04/54/711800454.db2.gz DIXGFMXNWWTENY-RDOCRHDPSA-N 0 0 241.183 3.608 20 0 BHADRN Cl/C=C(/Cl)CSC[C@H]1CCCCO1 ZINC000379369265 712378213 /nfs/dbraw/zinc/37/82/13/712378213.db2.gz DIXGFMXNWWTENY-WHXYTISESA-N 0 0 241.183 3.608 20 0 BHADRN FCCCCCSCCCCCF ZINC000379371155 356448159 /nfs/dbraw/zinc/44/81/59/356448159.db2.gz HJRWFAFJRWVQHB-UHFFFAOYSA-N 0 0 210.333 3.999 20 0 BHADRN CSCCSCc1ccc(Cl)cc1 ZINC000379371200 712378535 /nfs/dbraw/zinc/37/85/35/712378535.db2.gz HONLPBOKKGGTHL-UHFFFAOYSA-N 0 0 232.801 3.936 20 0 BHADRN Fc1ccc(OC/C=C\Cl)c(Cl)c1 ZINC000379375826 711800772 /nfs/dbraw/zinc/80/07/72/711800772.db2.gz QRUPKUHDSKVNRZ-RJRFIUFISA-N 0 0 221.058 3.610 20 0 BHADRN ClC1(Cl)C[C@@H]1CSCc1ccco1 ZINC000379376071 711800769 /nfs/dbraw/zinc/80/07/69/711800769.db2.gz RSGWNCKYUJGWHD-SSDOTTSWSA-N 0 0 237.151 3.707 20 0 BHADRN ClC1(Cl)C[C@H]1CSCc1ccco1 ZINC000379376072 712379270 /nfs/dbraw/zinc/37/92/70/712379270.db2.gz RSGWNCKYUJGWHD-ZETCQYMHSA-N 0 0 237.151 3.707 20 0 BHADRN FC(F)CSCc1ccccc1Cl ZINC000379376279 356448651 /nfs/dbraw/zinc/44/86/51/356448651.db2.gz SOSUDYOSWUNZCZ-UHFFFAOYSA-N 0 0 222.687 3.838 20 0 BHADRN CSCCCSc1ccccc1C ZINC000379376459 356448328 /nfs/dbraw/zinc/44/83/28/356448328.db2.gz TXLQQUCERKQCLV-UHFFFAOYSA-N 0 0 212.383 3.840 20 0 BHADRN CSCCSCCCc1ccsc1 ZINC000379377833 712379818 /nfs/dbraw/zinc/37/98/18/712379818.db2.gz ZDJMVOBOFLFKRB-UHFFFAOYSA-N 0 0 232.439 3.777 20 0 BHADRN CCCC[C@@H](CC)CSCCOC ZINC000379378226 356448927 /nfs/dbraw/zinc/44/89/27/356448927.db2.gz AFCZOWGYJUGVIA-LLVKDONJSA-N 0 0 204.379 3.582 20 0 BHADRN CCCC[C@H](CC)CSCCOC ZINC000379378230 356449384 /nfs/dbraw/zinc/44/93/84/356449384.db2.gz AFCZOWGYJUGVIA-NSHDSACASA-N 0 0 204.379 3.582 20 0 BHADRN COC(C)(C)CCSC/C(Cl)=C\Cl ZINC000379379429 712379541 /nfs/dbraw/zinc/37/95/41/712379541.db2.gz AYSTWACGIJPHBY-SOFGYWHQSA-N 0 0 243.199 3.854 20 0 BHADRN COC(C)(C)CCSC/C(Cl)=C/Cl ZINC000379379430 712379938 /nfs/dbraw/zinc/37/99/38/712379938.db2.gz AYSTWACGIJPHBY-VURMDHGXSA-N 0 0 243.199 3.854 20 0 BHADRN COC(C)(C)CCSCC=C(C)C ZINC000379381549 356449216 /nfs/dbraw/zinc/44/92/16/356449216.db2.gz DBDKHHGOLQOGPX-UHFFFAOYSA-N 0 0 202.363 3.501 20 0 BHADRN CC(C)=CCSCCOC(C)(C)C ZINC000379381994 356449148 /nfs/dbraw/zinc/44/91/48/356449148.db2.gz DLNMWKXKQJAVTQ-UHFFFAOYSA-N 0 0 202.363 3.501 20 0 BHADRN CCSCCc1c(F)cccc1Cl ZINC000379382554 356450427 /nfs/dbraw/zinc/45/04/27/356450427.db2.gz JCKSMWSJFIVEOS-UHFFFAOYSA-N 0 0 218.724 3.775 20 0 BHADRN C(OC1CCC1)SC1CCCCC1 ZINC000379383098 712380230 /nfs/dbraw/zinc/38/02/30/712380230.db2.gz FXCQPHDHTFYUQV-UHFFFAOYSA-N 0 0 200.347 3.579 20 0 BHADRN CCCCSCc1ccc(Cl)cn1 ZINC000379385546 356449847 /nfs/dbraw/zinc/44/98/47/356449847.db2.gz UELBOTMRPVVMDU-UHFFFAOYSA-N 0 0 215.749 3.768 20 0 BHADRN CCCC(=O)CSC(C)(C)C(C)C ZINC000379386020 712380634 /nfs/dbraw/zinc/38/06/34/712380634.db2.gz WBMGIRNZCJDFFC-UHFFFAOYSA-N 0 0 202.363 3.523 20 0 BHADRN CC(C)CCSCC(F)(F)C(F)F ZINC000379386242 712380616 /nfs/dbraw/zinc/38/06/16/712380616.db2.gz WXRLYUGKWGQHNY-UHFFFAOYSA-N 0 0 218.259 3.666 20 0 BHADRN CC(C)(C)CSCCOC(C)(C)C ZINC000379386996 356449938 /nfs/dbraw/zinc/44/99/38/356449938.db2.gz ZOSMZIWWGZOLMR-UHFFFAOYSA-N 0 0 204.379 3.581 20 0 BHADRN C[C@H](N(C)C/C(Cl)=C\Cl)C(C)(C)C ZINC000379387070 711800979 /nfs/dbraw/zinc/80/09/79/711800979.db2.gz ZWYSJXNGENTDLL-CYXIBPNKSA-N 0 0 224.175 3.672 20 0 BHADRN CC[N@H+](C/C(Cl)=C\Cl)[C@@H](C)C(C)C ZINC000379387191 712380710 /nfs/dbraw/zinc/38/07/10/712380710.db2.gz GVVZYZXEWBPUAH-CMWXKVOJSA-N 0 0 224.175 3.672 20 0 BHADRN CC[N@H+](C/C(Cl)=C/Cl)[C@@H](C)C(C)C ZINC000379387192 712380686 /nfs/dbraw/zinc/38/06/86/712380686.db2.gz GVVZYZXEWBPUAH-LKJZUNMESA-N 0 0 224.175 3.672 20 0 BHADRN CC[N@H+](C/C(Cl)=C\Cl)[C@H](C)C(C)C ZINC000379387194 712381089 /nfs/dbraw/zinc/38/10/89/712381089.db2.gz GVVZYZXEWBPUAH-ZFZMKPAXSA-N 0 0 224.175 3.672 20 0 BHADRN C/C(=C/Cl)CSCc1csc(C)n1 ZINC000379387213 711800960 /nfs/dbraw/zinc/80/09/60/711800960.db2.gz GXNBELMPOFKLRO-CLTKARDFSA-N 0 0 233.789 3.827 20 0 BHADRN C/C(=C\Cl)CSCc1csc(C)n1 ZINC000379387214 712380772 /nfs/dbraw/zinc/38/07/72/712380772.db2.gz GXNBELMPOFKLRO-XVNBXDOJSA-N 0 0 233.789 3.827 20 0 BHADRN CC(C)CCCSC1=N[C@H](C)CS1 ZINC000379387722 712380421 /nfs/dbraw/zinc/38/04/21/712380421.db2.gz IBWIYNUMZHHSRS-SECBINFHSA-N 0 0 217.403 3.647 20 0 BHADRN CC(C)CCCSC1=N[C@@H](C)CS1 ZINC000379387723 712380288 /nfs/dbraw/zinc/38/02/88/712380288.db2.gz IBWIYNUMZHHSRS-VIFPVBQESA-N 0 0 217.403 3.647 20 0 BHADRN CCSCSCc1ccccc1C ZINC000379388181 711800985 /nfs/dbraw/zinc/80/09/85/711800985.db2.gz JAESJKCBLXSGNR-UHFFFAOYSA-N 0 0 212.383 3.939 20 0 BHADRN c1cc(CCCSCC2CC2)cs1 ZINC000379390253 356451678 /nfs/dbraw/zinc/45/16/78/356451678.db2.gz NIOUHVNPKNOQKG-UHFFFAOYSA-N 0 0 212.383 3.824 20 0 BHADRN c1csc(CCSCCC2CC2)c1 ZINC000379391081 712381250 /nfs/dbraw/zinc/38/12/50/712381250.db2.gz OUZJZDSPDXWVGE-UHFFFAOYSA-N 0 0 212.383 3.824 20 0 BHADRN CC(C)C[C@@H](C)CSC1=NCCS1 ZINC000379391097 712381222 /nfs/dbraw/zinc/38/12/22/712381222.db2.gz OWNSXWUHOKMOPK-SECBINFHSA-N 0 0 217.403 3.505 20 0 BHADRN CC(C)C[C@H](C)CSC1=NCCS1 ZINC000379391098 712381381 /nfs/dbraw/zinc/38/13/81/712381381.db2.gz OWNSXWUHOKMOPK-VIFPVBQESA-N 0 0 217.403 3.505 20 0 BHADRN CC(C)[C@H](C)SC[C@H](F)C(F)(F)F ZINC000379392850 356452369 /nfs/dbraw/zinc/45/23/69/356452369.db2.gz SSLKCTWHNAGXAW-BQBZGAKWSA-N 0 0 218.259 3.665 20 0 BHADRN CC(C)[C@H](C)SC[C@@H](F)C(F)(F)F ZINC000379392851 356452568 /nfs/dbraw/zinc/45/25/68/356452568.db2.gz SSLKCTWHNAGXAW-NKWVEPMBSA-N 0 0 218.259 3.665 20 0 BHADRN CC(C)[C@@H](C)SC[C@@H](F)C(F)(F)F ZINC000379392852 356452897 /nfs/dbraw/zinc/45/28/97/356452897.db2.gz SSLKCTWHNAGXAW-RNFRBKRXSA-N 0 0 218.259 3.665 20 0 BHADRN CC(C)[C@@H](C)SC[C@H](F)C(F)(F)F ZINC000379392853 356452520 /nfs/dbraw/zinc/45/25/20/356452520.db2.gz SSLKCTWHNAGXAW-RQJHMYQMSA-N 0 0 218.259 3.665 20 0 BHADRN CCCCC[NH2+]Cc1ccsc1Cl ZINC000379394220 356468647 /nfs/dbraw/zinc/46/86/47/356468647.db2.gz WSZOFTQDFOWLNL-UHFFFAOYSA-N 0 0 217.765 3.681 20 0 BHADRN Cc1csc(SCCSC(C)C)n1 ZINC000379394988 711801224 /nfs/dbraw/zinc/80/12/24/711801224.db2.gz YLRNPGQSUXMOAH-UHFFFAOYSA-N 0 0 233.427 3.685 20 0 BHADRN CC1CCC(CSCCCF)CC1 ZINC000379395436 356470590 /nfs/dbraw/zinc/47/05/90/356470590.db2.gz ZLVVAQNNWACDKF-UHFFFAOYSA-N 0 0 204.354 3.906 20 0 BHADRN C/C(=C/Cl)CSCc1scnc1C ZINC000379396095 712381927 /nfs/dbraw/zinc/38/19/27/712381927.db2.gz CJCCRJJGTTVMOF-CLTKARDFSA-N 0 0 233.789 3.827 20 0 BHADRN C/C(=C\Cl)CSCc1scnc1C ZINC000379396096 712381940 /nfs/dbraw/zinc/38/19/40/712381940.db2.gz CJCCRJJGTTVMOF-XVNBXDOJSA-N 0 0 233.789 3.827 20 0 BHADRN CCCCSc1cc(F)ccc1F ZINC000379398766 356803819 /nfs/dbraw/zinc/80/38/19/356803819.db2.gz ZGYMJZAUSXZJHX-UHFFFAOYSA-N 0 0 202.269 3.857 20 0 BHADRN C[C@H](CSCCC1CC1)C(F)(F)F ZINC000379399671 356839481 /nfs/dbraw/zinc/83/94/81/356839481.db2.gz HKIYMTZHZATNJC-SSDOTTSWSA-N 0 0 212.280 3.718 20 0 BHADRN C[C@@H](CSCCC1CC1)C(F)(F)F ZINC000379399672 356839525 /nfs/dbraw/zinc/83/95/25/356839525.db2.gz HKIYMTZHZATNJC-ZETCQYMHSA-N 0 0 212.280 3.718 20 0 BHADRN COCCCCCSC/C(Cl)=C/Cl ZINC000379400406 712382240 /nfs/dbraw/zinc/38/22/40/712382240.db2.gz INNBJVDPCIWKEF-CLFYSBASSA-N 0 0 243.199 3.855 20 0 BHADRN COCCCCCSC/C(Cl)=C\Cl ZINC000379400407 712381930 /nfs/dbraw/zinc/38/19/30/712381930.db2.gz INNBJVDPCIWKEF-VQHVLOKHSA-N 0 0 243.199 3.855 20 0 BHADRN CC(C)=CCSCCc1cccs1 ZINC000379400653 712382157 /nfs/dbraw/zinc/38/21/57/712382157.db2.gz JCPFJHJCUHTLPE-UHFFFAOYSA-N 0 0 212.383 3.990 20 0 BHADRN CCC(CC)SCCOC(C)(C)C ZINC000379401155 356876092 /nfs/dbraw/zinc/87/60/92/356876092.db2.gz KEULCWLOJBGDJB-UHFFFAOYSA-N 0 0 204.379 3.723 20 0 BHADRN C[C@H](CSCC1CCC1)C(F)(F)F ZINC000379403367 356907763 /nfs/dbraw/zinc/90/77/63/356907763.db2.gz PEYYAOGCTPRTNB-SSDOTTSWSA-N 0 0 212.280 3.718 20 0 BHADRN C[C@@H](CSCC1CCC1)C(F)(F)F ZINC000379403368 356907773 /nfs/dbraw/zinc/90/77/73/356907773.db2.gz PEYYAOGCTPRTNB-ZETCQYMHSA-N 0 0 212.280 3.718 20 0 BHADRN CC[C@@H](F)CSc1ccc(F)cc1 ZINC000379403878 387305311 /nfs/dbraw/zinc/30/53/11/387305311.db2.gz QIOMSYYVWXCBQQ-MRVPVSSYSA-N 0 0 202.269 3.666 20 0 BHADRN CC[C@H](F)CSc1ccc(F)cc1 ZINC000379403879 387304943 /nfs/dbraw/zinc/30/49/43/387304943.db2.gz QIOMSYYVWXCBQQ-QMMMGPOBSA-N 0 0 202.269 3.666 20 0 BHADRN CCSCCSc1cccc(C)c1 ZINC000379406200 711801558 /nfs/dbraw/zinc/80/15/58/711801558.db2.gz VVNHGGOJMTYWPO-UHFFFAOYSA-N 0 0 212.383 3.840 20 0 BHADRN CC[C@@H](F)CSc1ccccc1F ZINC000379406622 356914116 /nfs/dbraw/zinc/91/41/16/356914116.db2.gz WTHLXOLAFQYBPH-MRVPVSSYSA-N 0 0 202.269 3.666 20 0 BHADRN CC[C@H](F)CSc1ccccc1F ZINC000379406623 356914282 /nfs/dbraw/zinc/91/42/82/356914282.db2.gz WTHLXOLAFQYBPH-QMMMGPOBSA-N 0 0 202.269 3.666 20 0 BHADRN CC(C)=CCSCCCOC(C)C ZINC000379407793 356925426 /nfs/dbraw/zinc/92/54/26/356925426.db2.gz ZOPKMRIAIJGPDX-UHFFFAOYSA-N 0 0 202.363 3.501 20 0 BHADRN CC(C)(C)OCCSC/C(Cl)=C\Cl ZINC000379408181 712383417 /nfs/dbraw/zinc/38/34/17/712383417.db2.gz APXFUIMHAKXWCS-SOFGYWHQSA-N 0 0 243.199 3.854 20 0 BHADRN CC(C)(C)OCCSC/C(Cl)=C/Cl ZINC000379408182 712383379 /nfs/dbraw/zinc/38/33/79/712383379.db2.gz APXFUIMHAKXWCS-VURMDHGXSA-N 0 0 243.199 3.854 20 0 BHADRN CO[C@@H](C)CSCCCC(C)(C)C ZINC000379408572 343499939 /nfs/dbraw/zinc/49/99/39/343499939.db2.gz BCSRFRPKYYSAMH-JTQLQIEISA-N 0 0 204.379 3.581 20 0 BHADRN CO[C@H](C)CSCCCC(C)(C)C ZINC000379408573 343500137 /nfs/dbraw/zinc/50/01/37/343500137.db2.gz BCSRFRPKYYSAMH-SNVBAGLBSA-N 0 0 204.379 3.581 20 0 BHADRN CCC[C@@H](CC)Nc1ncc(Cl)s1 ZINC000379408865 584131676 /nfs/dbraw/zinc/13/16/76/584131676.db2.gz BUZZIISUTHSRQY-SSDOTTSWSA-N 0 0 218.753 3.787 20 0 BHADRN CCC[C@H](CC)Nc1ncc(Cl)s1 ZINC000379408866 584131455 /nfs/dbraw/zinc/13/14/55/584131455.db2.gz BUZZIISUTHSRQY-ZETCQYMHSA-N 0 0 218.753 3.787 20 0 BHADRN CC(C)C(C)(C)SCOC1CCC1 ZINC000379409926 712383119 /nfs/dbraw/zinc/38/31/19/712383119.db2.gz DYLCYYKGQUADFS-UHFFFAOYSA-N 0 0 202.363 3.681 20 0 BHADRN CCCCCSCCCOC(C)C ZINC000379410078 356953880 /nfs/dbraw/zinc/95/38/80/356953880.db2.gz FJUDQFJTLFGEIO-UHFFFAOYSA-N 0 0 204.379 3.725 20 0 BHADRN CC(C)(C)SCCSCC(F)(F)F ZINC000379410712 712383421 /nfs/dbraw/zinc/38/34/21/712383421.db2.gz GPYZFQDWHSUGKQ-UHFFFAOYSA-N 0 0 232.336 3.814 20 0 BHADRN CC[C@H](F)CSC[C@H](C)C(F)(F)F ZINC000379412733 357005226 /nfs/dbraw/zinc/00/52/26/357005226.db2.gz KUHNBOAHGKKKSG-BQBZGAKWSA-N 0 0 218.259 3.666 20 0 BHADRN CC[C@@H](F)CSC[C@H](C)C(F)(F)F ZINC000379412734 357005172 /nfs/dbraw/zinc/00/51/72/357005172.db2.gz KUHNBOAHGKKKSG-NKWVEPMBSA-N 0 0 218.259 3.666 20 0 BHADRN CC[C@@H](F)CSC[C@@H](C)C(F)(F)F ZINC000379412735 357005610 /nfs/dbraw/zinc/00/56/10/357005610.db2.gz KUHNBOAHGKKKSG-RNFRBKRXSA-N 0 0 218.259 3.666 20 0 BHADRN CC[C@H](F)CSC[C@@H](C)C(F)(F)F ZINC000379412736 357005066 /nfs/dbraw/zinc/00/50/66/357005066.db2.gz KUHNBOAHGKKKSG-RQJHMYQMSA-N 0 0 218.259 3.666 20 0 BHADRN CC(C)(C)CCCSC1=NCCS1 ZINC000379413330 711801802 /nfs/dbraw/zinc/80/18/02/711801802.db2.gz LSMXSKHGDJWZKS-UHFFFAOYSA-N 0 0 217.403 3.649 20 0 BHADRN CC(C)CSCCCSCC1CC1 ZINC000379413927 357005071 /nfs/dbraw/zinc/00/50/71/357005071.db2.gz MWWZBVHHBWIEJI-UHFFFAOYSA-N 0 0 218.431 3.909 20 0 BHADRN CC(C)CSCc1ccc(Cl)cn1 ZINC000379414712 357268203 /nfs/dbraw/zinc/26/82/03/357268203.db2.gz OPDJGLQRNPVIIS-UHFFFAOYSA-N 0 0 215.749 3.624 20 0 BHADRN CCC[C@@H](C)SCC(=O)C(C)(C)C ZINC000379414713 357267997 /nfs/dbraw/zinc/26/79/97/357267997.db2.gz OPGQVGMSZBPUJH-SECBINFHSA-N 0 0 202.363 3.523 20 0 BHADRN CCC[C@H](C)SCC(=O)C(C)(C)C ZINC000379414714 357268175 /nfs/dbraw/zinc/26/81/75/357268175.db2.gz OPGQVGMSZBPUJH-VIFPVBQESA-N 0 0 202.363 3.523 20 0 BHADRN CCC(CC)SC(=S)N(CC)CC ZINC000379418314 712384439 /nfs/dbraw/zinc/38/44/39/712384439.db2.gz VVHNEWFXAJMQCK-UHFFFAOYSA-N 0 0 219.419 3.535 20 0 BHADRN CC(C)C(C)(C)SCc1nccs1 ZINC000379418908 712384319 /nfs/dbraw/zinc/38/43/19/712384319.db2.gz WZPDGKIPRVFOJX-UHFFFAOYSA-N 0 0 215.387 3.811 20 0 BHADRN CCCCCSCCCCCOC ZINC000379419493 357276919 /nfs/dbraw/zinc/27/69/19/357276919.db2.gz YIIXGBAKEZYZDI-UHFFFAOYSA-N 0 0 204.379 3.727 20 0 BHADRN COCCCCCSCCC(C)C ZINC000379420006 357276842 /nfs/dbraw/zinc/27/68/42/357276842.db2.gz ZNKALMYZPMKPSY-UHFFFAOYSA-N 0 0 204.379 3.582 20 0 BHADRN CC[C@H]1CC[C@H](Nc2ncncc2Cl)CC1 ZINC000379458552 491089088 /nfs/dbraw/zinc/08/90/88/491089088.db2.gz PWQRAVKMNHINTG-MGCOHNPYSA-N 0 0 239.750 3.511 20 0 BHADRN Fc1cccc(N[C@@H]2CCC23CCCC3)c1 ZINC000379466269 358500243 /nfs/dbraw/zinc/50/02/43/358500243.db2.gz XSSQSGGTMGOVLY-CYBMUJFWSA-N 0 0 219.303 3.960 20 0 BHADRN Fc1cccc(N[C@H]2CCC23CCCC3)c1 ZINC000379466277 358500596 /nfs/dbraw/zinc/50/05/96/358500596.db2.gz XSSQSGGTMGOVLY-ZDUSSCGKSA-N 0 0 219.303 3.960 20 0 BHADRN CCC1CC(Nc2ccc3ncsc3c2)C1 ZINC000379468143 358501152 /nfs/dbraw/zinc/50/11/52/358501152.db2.gz ZFKJYTNRFDEREM-UHFFFAOYSA-N 0 0 232.352 3.897 20 0 BHADRN FCCCCCNc1ccccc1Cl ZINC000379481790 358502046 /nfs/dbraw/zinc/50/20/46/358502046.db2.gz AMKNRLKSYLRWRI-UHFFFAOYSA-N 0 0 215.699 3.892 20 0 BHADRN FCCCCCOc1ccccc1Cl ZINC000379483779 358503044 /nfs/dbraw/zinc/50/30/44/358503044.db2.gz GHYYJWQFLGQCDK-UHFFFAOYSA-N 0 0 216.683 3.859 20 0 BHADRN CC(C)c1ccc(NC/C=C\Cl)cc1 ZINC000379487484 712386027 /nfs/dbraw/zinc/38/60/27/712386027.db2.gz DBBWJTRHXCXCKZ-BAQGIRSFSA-N 0 0 209.720 3.974 20 0 BHADRN Cc1cccc(OC/C(Cl)=C\Cl)c1F ZINC000379488054 712385564 /nfs/dbraw/zinc/38/55/64/712385564.db2.gz MRXBMSZKMDFFAA-VMPITWQZSA-N 0 0 235.085 3.832 20 0 BHADRN FCCCCCOc1ccc(Cl)cc1 ZINC000379491102 358498029 /nfs/dbraw/zinc/49/80/29/358498029.db2.gz QLSYXHZENIOSOC-UHFFFAOYSA-N 0 0 216.683 3.859 20 0 BHADRN CCc1ccc(NC/C=C\Cl)cc1C ZINC000379507151 712386773 /nfs/dbraw/zinc/38/67/73/712386773.db2.gz ROSXBAKWTLHCFU-DAXSKMNVSA-N 0 0 209.720 3.722 20 0 BHADRN C[C@@H](NCCF)c1cc(Cl)ccc1Cl ZINC000379515076 358532307 /nfs/dbraw/zinc/53/23/07/358532307.db2.gz WZAGWPZGXJUSDJ-SSDOTTSWSA-N 0 0 236.117 3.614 20 0 BHADRN C[C@H](NCCF)c1cc(Cl)ccc1Cl ZINC000379515088 358533547 /nfs/dbraw/zinc/53/35/47/358533547.db2.gz WZAGWPZGXJUSDJ-ZETCQYMHSA-N 0 0 236.117 3.614 20 0 BHADRN Cc1ccc(OC/C(Cl)=C\Cl)cc1F ZINC000379522000 712387007 /nfs/dbraw/zinc/38/70/07/712387007.db2.gz IKSIZPAQFRCHTG-VMPITWQZSA-N 0 0 235.085 3.832 20 0 BHADRN FCCCCOc1ccc(Cl)c(F)c1 ZINC000379537093 359538718 /nfs/dbraw/zinc/53/87/18/359538718.db2.gz MEOXSSPMNCWYDO-UHFFFAOYSA-N 0 0 220.646 3.608 20 0 BHADRN CSc1ccc(C)c(NC/C=C\Cl)c1 ZINC000379573888 712388951 /nfs/dbraw/zinc/38/89/51/712388951.db2.gz JLAPOQKJYMDRGO-UTCJRWHESA-N 0 0 227.760 3.881 20 0 BHADRN Cc1cc(C)c(NC/C=C\Cl)c(C)c1 ZINC000379578834 712389151 /nfs/dbraw/zinc/38/91/51/712389151.db2.gz VHJKPSKLINABPJ-PLNGDYQASA-N 0 0 209.720 3.776 20 0 BHADRN Cl/C=C\CNc1ccc(C2CC2)cc1 ZINC000379579555 712389381 /nfs/dbraw/zinc/38/93/81/712389381.db2.gz WXCUINUGZARLCE-QPIMQUGISA-N 0 0 207.704 3.728 20 0 BHADRN Cc1ccc(NCCCCF)cc1Cl ZINC000379582058 359553794 /nfs/dbraw/zinc/55/37/94/359553794.db2.gz LHZQHJLNXYZJEN-UHFFFAOYSA-N 0 0 215.699 3.810 20 0 BHADRN CCC(C)(C)c1csc(CC2CC2)n1 ZINC000379584962 359560546 /nfs/dbraw/zinc/56/05/46/359560546.db2.gz OYPAKOONOZIYFX-UHFFFAOYSA-N 0 0 209.358 3.783 20 0 BHADRN FCCCCOc1ccc(Cl)cc1F ZINC000379593037 359557013 /nfs/dbraw/zinc/55/70/13/359557013.db2.gz ATQANHXHMNGHNB-UHFFFAOYSA-N 0 0 220.646 3.608 20 0 BHADRN CCCC1(CNc2ncc(Cl)s2)CC1 ZINC000379597089 541448960 /nfs/dbraw/zinc/44/89/60/541448960.db2.gz GDWRQGPGNWAHRV-UHFFFAOYSA-N 0 0 230.764 3.789 20 0 BHADRN CC(C)(NCc1sccc1Cl)C(F)F ZINC000379599228 541456371 /nfs/dbraw/zinc/45/63/71/541456371.db2.gz IZXGQDRXKVYMOT-UHFFFAOYSA-N 0 0 239.718 3.535 20 0 BHADRN Cl/C=C\CNc1cccc2c1CCCC2 ZINC000379603951 712390294 /nfs/dbraw/zinc/39/02/94/712390294.db2.gz KFTNVXBSBWEBCK-WTKPLQERSA-N 0 0 221.731 3.730 20 0 BHADRN FC(F)(F)c1ccccc1NC/C=C\Cl ZINC000379642666 712390996 /nfs/dbraw/zinc/39/09/96/712390996.db2.gz HQOSNPJVWHAIDQ-UTCJRWHESA-N 0 0 235.636 3.870 20 0 BHADRN CC(=O)c1ccc(OC/C=C\Cl)c(Cl)c1 ZINC000379722655 712393065 /nfs/dbraw/zinc/39/30/65/712393065.db2.gz XXWCXHOVOOEBNS-DJWKRKHSSA-N 0 0 245.105 3.674 20 0 BHADRN CC(C)C[C@@H](C)Cn1ccnc1C(C)C ZINC000379742976 361394741 /nfs/dbraw/zinc/39/47/41/361394741.db2.gz KTBPKTXLLPYSER-GFCCVEGCSA-N 0 0 208.349 3.689 20 0 BHADRN CC(C)C[C@H](C)Cn1ccnc1C(C)C ZINC000379742977 361394967 /nfs/dbraw/zinc/39/49/67/361394967.db2.gz KTBPKTXLLPYSER-LBPRGKRZSA-N 0 0 208.349 3.689 20 0 BHADRN CC(C)(C)CCCNc1ccc2c(c1)COC2 ZINC000379743849 361406529 /nfs/dbraw/zinc/40/65/29/361406529.db2.gz XZCZWHUHMSZDHF-UHFFFAOYSA-N 0 0 233.355 3.955 20 0 BHADRN CC1(C)CC[C@H]1NCC(F)(F)c1ccccc1 ZINC000379749501 361481649 /nfs/dbraw/zinc/48/16/49/361481649.db2.gz IMQAPSDCQFSRIY-GFCCVEGCSA-N 0 0 239.309 3.557 20 0 BHADRN CC1(C)CC[C@@H]1NCC(F)(F)c1ccccc1 ZINC000379749502 361482228 /nfs/dbraw/zinc/48/22/28/361482228.db2.gz IMQAPSDCQFSRIY-LBPRGKRZSA-N 0 0 239.309 3.557 20 0 BHADRN Cc1ccnc(CSc2ccccc2)c1 ZINC000379772937 538979571 /nfs/dbraw/zinc/97/95/71/538979571.db2.gz BGENUQIATPDUOT-UHFFFAOYSA-N 0 0 215.321 3.682 20 0 BHADRN CSc1ccccc1NCCCCCF ZINC000379777700 365212745 /nfs/dbraw/zinc/21/27/45/365212745.db2.gz GWIKWWHRDQXTBR-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/80/80/64/365808064.db2.gz VAOQTCCEELLQMX-DTWKUNHWSA-N 0 0 225.298 3.599 20 0 BHADRN CC[C@H](C)CN[C@@H](C(C)(C)C)C(F)(F)F ZINC000380017936 365808164 /nfs/dbraw/zinc/80/81/64/365808164.db2.gz VAOQTCCEELLQMX-IUCAKERBSA-N 0 0 225.298 3.599 20 0 BHADRN CC[C@@H](C)CN[C@H](C(C)(C)C)C(F)(F)F ZINC000380017938 365807716 /nfs/dbraw/zinc/80/77/16/365807716.db2.gz VAOQTCCEELLQMX-RKDXNWHRSA-N 0 0 225.298 3.599 20 0 BHADRN COC[C@@H](CC(C)C)Nc1cscc1C ZINC000380020685 365811105 /nfs/dbraw/zinc/81/11/05/365811105.db2.gz WGLUVUSTCKJFAL-LLVKDONJSA-N 0 0 227.373 3.530 20 0 BHADRN COC[C@H](CC(C)C)Nc1cscc1C ZINC000380020686 365811134 /nfs/dbraw/zinc/81/11/34/365811134.db2.gz WGLUVUSTCKJFAL-NSHDSACASA-N 0 0 227.373 3.530 20 0 BHADRN CCC[C@@H](CC)Nc1ccc([N+](=O)[O-])s1 ZINC000380027833 343671585 /nfs/dbraw/zinc/67/15/85/343671585.db2.gz ZFRCDBDVXGZIBT-MRVPVSSYSA-N 0 0 228.317 3.647 20 0 BHADRN CCC[C@H](CC)Nc1ccc([N+](=O)[O-])s1 ZINC000380027838 343671710 /nfs/dbraw/zinc/67/17/10/343671710.db2.gz ZFRCDBDVXGZIBT-QMMMGPOBSA-N 0 0 228.317 3.647 20 0 BHADRN CC(C)C[C@@H](C)Oc1cc(F)ccc1F ZINC000380031836 365816131 /nfs/dbraw/zinc/81/61/31/365816131.db2.gz QMTFDDIKTYTEHS-SECBINFHSA-N 0 0 214.255 3.778 20 0 BHADRN CC(C)C[C@H](C)Oc1cc(F)ccc1F ZINC000380031837 365816427 /nfs/dbraw/zinc/81/64/27/365816427.db2.gz QMTFDDIKTYTEHS-VIFPVBQESA-N 0 0 214.255 3.778 20 0 BHADRN c1cnc2c(c1)cccc2OCC1CCCC1 ZINC000380032558 365816108 /nfs/dbraw/zinc/81/61/08/365816108.db2.gz PKFBCNCTEMYQAD-UHFFFAOYSA-N 0 0 227.307 3.804 20 0 BHADRN C[C@@H]1SCC[C@@H]1Nc1nccc2ccccc21 ZINC000380033836 351329633 /nfs/dbraw/zinc/32/96/33/351329633.db2.gz PVOSRYURGSNXIA-GWCFXTLKSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@@H]1SCC[C@H]1Nc1nccc2ccccc21 ZINC000380033837 351329484 /nfs/dbraw/zinc/32/94/84/351329484.db2.gz PVOSRYURGSNXIA-GXFFZTMASA-N 0 0 244.363 3.541 20 0 BHADRN C[C@H]1SCC[C@@H]1Nc1nccc2ccccc21 ZINC000380033838 351329283 /nfs/dbraw/zinc/32/92/83/351329283.db2.gz PVOSRYURGSNXIA-MFKMUULPSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@H]1SCC[C@H]1Nc1nccc2ccccc21 ZINC000380033840 351329741 /nfs/dbraw/zinc/32/97/41/351329741.db2.gz PVOSRYURGSNXIA-ZWNOBZJWSA-N 0 0 244.363 3.541 20 0 BHADRN Cc1ccc(OCCSC(C)C)c(C)c1 ZINC000380043948 365825985 /nfs/dbraw/zinc/82/59/85/365825985.db2.gz VFFLPVKBRKRBTH-UHFFFAOYSA-N 0 0 224.369 3.824 20 0 BHADRN CCc1ccccc1NCCC1(OC)CCC1 ZINC000380060861 365835635 /nfs/dbraw/zinc/83/56/35/365835635.db2.gz YDMUQUZUYBPYOL-UHFFFAOYSA-N 0 0 233.355 3.620 20 0 BHADRN CC(=O)c1ccc(OCC2(C)CCC2)cc1F ZINC000380062671 488170304 /nfs/dbraw/zinc/17/03/04/488170304.db2.gz OTVALGCNHJPKSC-UHFFFAOYSA-N 0 0 236.286 3.597 20 0 BHADRN C[C@@H](NC1CCCCCCC1)C(F)(F)F ZINC000380064731 712684543 /nfs/dbraw/zinc/68/45/43/712684543.db2.gz BSKGRHFCIHSYKM-SECBINFHSA-N 0 0 223.282 3.640 20 0 BHADRN C[C@H](NC1CCCCCCC1)C(F)(F)F ZINC000380064733 712684528 /nfs/dbraw/zinc/68/45/28/712684528.db2.gz BSKGRHFCIHSYKM-VIFPVBQESA-N 0 0 223.282 3.640 20 0 BHADRN CC(C)c1nc([C@H](C)NC/C=C\Cl)cs1 ZINC000380067785 712684775 /nfs/dbraw/zinc/68/47/75/712684775.db2.gz CIUMJJSJFJIWTB-WBSSQXGSSA-N 0 0 244.791 3.670 20 0 BHADRN CC(C)c1nc([C@@H](C)NC/C=C\Cl)cs1 ZINC000380067786 712684940 /nfs/dbraw/zinc/68/49/40/712684940.db2.gz CIUMJJSJFJIWTB-XRVBUDJMSA-N 0 0 244.791 3.670 20 0 BHADRN Cc1ccc(N[C@H](C)CCC2CC2)cc1 ZINC000380068683 365848057 /nfs/dbraw/zinc/84/80/57/365848057.db2.gz COOAXDFBTRHWFD-GFCCVEGCSA-N 0 0 203.329 3.986 20 0 BHADRN Cc1ccc(N[C@@H](C)CCC2CC2)cc1 ZINC000380068689 365848202 /nfs/dbraw/zinc/84/82/02/365848202.db2.gz COOAXDFBTRHWFD-LBPRGKRZSA-N 0 0 203.329 3.986 20 0 BHADRN CC(C)=CCC[C@H](C)NC1(C(F)F)CC1 ZINC000380093012 365875559 /nfs/dbraw/zinc/87/55/59/365875559.db2.gz JJYFOIHXPAOOJQ-JTQLQIEISA-N 0 0 217.303 3.509 20 0 BHADRN CC(C)=CCC[C@@H](C)NC1(C(F)F)CC1 ZINC000380093018 365875566 /nfs/dbraw/zinc/87/55/66/365875566.db2.gz JJYFOIHXPAOOJQ-SNVBAGLBSA-N 0 0 217.303 3.509 20 0 BHADRN CC(C)=CCNc1ccc2scnc2c1 ZINC000380093033 365875229 /nfs/dbraw/zinc/87/52/29/365875229.db2.gz JKKKKNARFNBFEK-UHFFFAOYSA-N 0 0 218.325 3.674 20 0 BHADRN CC(C)(C)CNc1cccc2cc[nH]c21 ZINC000380093569 365875825 /nfs/dbraw/zinc/87/58/25/365875825.db2.gz JPPKUQCGZCCHPC-UHFFFAOYSA-N 0 0 202.301 3.626 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H]2CC[C@@H](C)C2)n1 ZINC000380102827 712686517 /nfs/dbraw/zinc/68/65/17/712686517.db2.gz MHPMHHLPMYNOCC-PSASIEDQSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccc(Cl)c(N[C@H]2CC[C@@H](C)C2)n1 ZINC000380102828 712686459 /nfs/dbraw/zinc/68/64/59/712686459.db2.gz MHPMHHLPMYNOCC-SCZZXKLOSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H]2CC[C@H](C)C2)n1 ZINC000380102830 712686507 /nfs/dbraw/zinc/68/65/07/712686507.db2.gz MHPMHHLPMYNOCC-WCBMZHEXSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccc(Cl)c(N[C@H]2CC[C@H](C)C2)n1 ZINC000380102831 712686479 /nfs/dbraw/zinc/68/64/79/712686479.db2.gz MHPMHHLPMYNOCC-WPRPVWTQSA-N 0 0 224.735 3.644 20 0 BHADRN CC(C)C[C@@H](NCC(F)F)c1cccs1 ZINC000380102936 538985571 /nfs/dbraw/zinc/98/55/71/538985571.db2.gz MKPANVMLBNENEC-SECBINFHSA-N 0 0 233.327 3.690 20 0 BHADRN CC(C)C[C@H](NCC(F)F)c1cccs1 ZINC000380102942 538985183 /nfs/dbraw/zinc/98/51/83/538985183.db2.gz MKPANVMLBNENEC-VIFPVBQESA-N 0 0 233.327 3.690 20 0 BHADRN CC(C)(C)CCNc1sccc1[N+](=O)[O-] ZINC000380106828 343680028 /nfs/dbraw/zinc/68/00/28/343680028.db2.gz NHAXQJQLNWWFGC-UHFFFAOYSA-N 0 0 228.317 3.504 20 0 BHADRN Cc1sccc1CNc1ccc(Cl)nc1 ZINC000380110489 712687806 /nfs/dbraw/zinc/68/78/06/712687806.db2.gz RSYLAQVFIVDEMG-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H]2CCC[C@@H]2C)n1 ZINC000380122727 712688562 /nfs/dbraw/zinc/68/85/62/712688562.db2.gz QXRFHEMDKAQCHQ-GZMMTYOYSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccc(Cl)c(N[C@H]2CCC[C@H]2C)n1 ZINC000380122728 712688450 /nfs/dbraw/zinc/68/84/50/712688450.db2.gz QXRFHEMDKAQCHQ-KCJUWKMLSA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccc(Cl)c(N[C@H]2CCC[C@@H]2C)n1 ZINC000380122731 712688084 /nfs/dbraw/zinc/68/80/84/712688084.db2.gz QXRFHEMDKAQCHQ-KWQFWETISA-N 0 0 224.735 3.644 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H]2CCC[C@H]2C)n1 ZINC000380122733 712688040 /nfs/dbraw/zinc/68/80/40/712688040.db2.gz QXRFHEMDKAQCHQ-LDYMZIIASA-N 0 0 224.735 3.644 20 0 BHADRN CC(F)(F)c1cccc(NC/C=C\Cl)c1 ZINC000380123622 712688393 /nfs/dbraw/zinc/68/83/93/712688393.db2.gz RDGFXGXTQMOVPY-UTCJRWHESA-N 0 0 231.673 3.963 20 0 BHADRN Cc1ccc(N[C@@H](C)C2CCC2)cc1F ZINC000380123907 365890931 /nfs/dbraw/zinc/89/09/31/365890931.db2.gz REKADRPJYRPZRJ-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc(N[C@H](C)C2CCC2)cc1F ZINC000380123910 365890814 /nfs/dbraw/zinc/89/08/14/365890814.db2.gz REKADRPJYRPZRJ-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc(Cl)c(OCc2cscn2)c1 ZINC000380126079 712689798 /nfs/dbraw/zinc/68/97/98/712689798.db2.gz VREHVECUQMOIIB-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN C[C@@H](CCO)SC[C@@H](C)C1CCCCC1 ZINC000380129058 343682021 /nfs/dbraw/zinc/68/20/21/343682021.db2.gz OELOHMVTPBDOPA-NEPJUHHUSA-N 0 0 230.417 3.707 20 0 BHADRN C[C@H](CCO)SC[C@H](C)C1CCCCC1 ZINC000380129059 343681842 /nfs/dbraw/zinc/68/18/42/343681842.db2.gz OELOHMVTPBDOPA-NWDGAFQWSA-N 0 0 230.417 3.707 20 0 BHADRN C[C@@H](CS[C@@H](C)CCO)C1CCCCC1 ZINC000380129060 343682026 /nfs/dbraw/zinc/68/20/26/343682026.db2.gz OELOHMVTPBDOPA-RYUDHWBXSA-N 0 0 230.417 3.707 20 0 BHADRN C[C@H](CCO)SC[C@@H](C)C1CCCCC1 ZINC000380129061 343681955 /nfs/dbraw/zinc/68/19/55/343681955.db2.gz OELOHMVTPBDOPA-VXGBXAGGSA-N 0 0 230.417 3.707 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)NC1CCCCC1 ZINC000380131847 365904199 /nfs/dbraw/zinc/90/41/99/365904199.db2.gz OQWWZRKVYMJJFC-GFCCVEGCSA-N 0 0 240.391 3.539 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)NC1CCCCC1 ZINC000380131852 365904177 /nfs/dbraw/zinc/90/41/77/365904177.db2.gz OQWWZRKVYMJJFC-LBPRGKRZSA-N 0 0 240.391 3.539 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1cccc(C(F)F)c1 ZINC000380143108 365953038 /nfs/dbraw/zinc/95/30/38/365953038.db2.gz WCZDVCQXTNDSTD-PSASIEDQSA-N 0 0 211.255 3.692 20 0 BHADRN C[C@@H]1C[C@H]1CNc1cccc(C(F)F)c1 ZINC000380143121 365952865 /nfs/dbraw/zinc/95/28/65/365952865.db2.gz WCZDVCQXTNDSTD-SCZZXKLOSA-N 0 0 211.255 3.692 20 0 BHADRN C[C@H]1C[C@@H]1CNc1cccc(C(F)F)c1 ZINC000380143123 365952886 /nfs/dbraw/zinc/95/28/86/365952886.db2.gz WCZDVCQXTNDSTD-WCBMZHEXSA-N 0 0 211.255 3.692 20 0 BHADRN C[C@H]1C[C@H]1CNc1cccc(C(F)F)c1 ZINC000380143133 365952921 /nfs/dbraw/zinc/95/29/21/365952921.db2.gz WCZDVCQXTNDSTD-WPRPVWTQSA-N 0 0 211.255 3.692 20 0 BHADRN Cc1ccc(NC(C)C)cc1OC(C)C ZINC000380144374 344699828 /nfs/dbraw/zinc/69/98/28/344699828.db2.gz WKCSBHQCPHNXEL-UHFFFAOYSA-N 0 0 207.317 3.603 20 0 BHADRN c1nc2ccc(N[C@@H]3CCC[C@H]4C[C@H]43)cc2s1 ZINC000380148462 348670733 /nfs/dbraw/zinc/67/07/33/348670733.db2.gz HYPWVUQBBOWTTN-MVWJERBFSA-N 0 0 244.363 3.897 20 0 BHADRN CC(C)[C@@H]1CC[C@H]1Nc1ccccc1F ZINC000380153078 538111897 /nfs/dbraw/zinc/11/18/97/538111897.db2.gz YFCABTDDGOBHHU-CMPLNLGQSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@@H]1CC[C@@H]1Nc1ccccc1F ZINC000380153091 537929034 /nfs/dbraw/zinc/92/90/34/537929034.db2.gz YFCABTDDGOBHHU-JQWIXIFHSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@H]1CC[C@@H]1Nc1ccccc1F ZINC000380153095 537927858 /nfs/dbraw/zinc/92/78/58/537927858.db2.gz YFCABTDDGOBHHU-PWSUYJOCSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@H]1CC[C@H]1Nc1ccccc1F ZINC000380153098 538986474 /nfs/dbraw/zinc/98/64/74/538986474.db2.gz YFCABTDDGOBHHU-ZYHUDNBSSA-N 0 0 207.292 3.672 20 0 BHADRN C[C@H](CC1CCC1)Nc1ccc(Cl)cn1 ZINC000380157081 538113025 /nfs/dbraw/zinc/11/30/25/538113025.db2.gz ZJULDGMJGAUJFT-SECBINFHSA-N 0 0 224.735 3.726 20 0 BHADRN C[C@@H](CC1CCC1)Nc1ccc(Cl)cn1 ZINC000380157091 538986285 /nfs/dbraw/zinc/98/62/85/538986285.db2.gz ZJULDGMJGAUJFT-VIFPVBQESA-N 0 0 224.735 3.726 20 0 BHADRN CSc1ccncc1NCCCC(C)C ZINC000380159063 538986514 /nfs/dbraw/zinc/98/65/14/538986514.db2.gz BADUBPNUTIAYJB-UHFFFAOYSA-N 0 0 224.373 3.652 20 0 BHADRN Cc1cc(NCC2(F)CC2)cc(C)c1Cl ZINC000380162697 538986293 /nfs/dbraw/zinc/98/62/93/538986293.db2.gz CFMNUPMMDYGZIZ-UHFFFAOYSA-N 0 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ZINC000380173490 357402879 /nfs/dbraw/zinc/40/28/79/357402879.db2.gz ITONSXAJFDDAJW-PRHODGIISA-N 0 0 211.255 3.565 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccc(F)c(F)c1 ZINC000380173491 357402900 /nfs/dbraw/zinc/40/29/00/357402900.db2.gz ITONSXAJFDDAJW-QPUJVOFHSA-N 0 0 211.255 3.565 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccc(F)c(F)c1 ZINC000380173492 357403115 /nfs/dbraw/zinc/40/31/15/357403115.db2.gz ITONSXAJFDDAJW-UFBFGSQYSA-N 0 0 211.255 3.565 20 0 BHADRN Fc1ccc(NCc2ccsc2Cl)cn1 ZINC000380173955 712705676 /nfs/dbraw/zinc/70/56/76/712705676.db2.gz IULQZDYJKSTOHJ-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN c1cc(NCC2CC2)cc(C2CCC2)c1 ZINC000380174700 344706788 /nfs/dbraw/zinc/70/67/88/344706788.db2.gz FFRSSZNVEGGOHR-UHFFFAOYSA-N 0 0 201.313 3.776 20 0 BHADRN Cc1cc(F)ccc1NC[C@H]1CC1(Cl)Cl ZINC000380176778 712706022 /nfs/dbraw/zinc/70/60/22/712706022.db2.gz KDUVODBXRDAHLR-MRVPVSSYSA-N 0 0 248.128 3.740 20 0 BHADRN Cc1cc(F)ccc1NC[C@@H]1CC1(Cl)Cl ZINC000380176779 712706292 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COc1cc(Cl)ccc1N[C@H](C)C1CC1 ZINC000380352045 712891970 /nfs/dbraw/zinc/89/19/70/712891970.db2.gz VOVSOTIECCMOCT-MRVPVSSYSA-N 0 0 225.719 3.559 20 0 BHADRN COc1cc(Cl)ccc1N[C@@H](C)C1CC1 ZINC000380352046 712892427 /nfs/dbraw/zinc/89/24/27/712892427.db2.gz VOVSOTIECCMOCT-QMMMGPOBSA-N 0 0 225.719 3.559 20 0 BHADRN CCSCCNc1cccc(CSC)c1 ZINC000380359498 360619580 /nfs/dbraw/zinc/61/95/80/360619580.db2.gz XRJKYEJEFRXOSU-UHFFFAOYSA-N 0 0 241.425 3.715 20 0 BHADRN CSc1cccc(NCC2CCC2)c1C ZINC000380361324 360684578 /nfs/dbraw/zinc/68/45/78/360684578.db2.gz YPJOHKMEIDIKJI-UHFFFAOYSA-N 0 0 221.369 3.929 20 0 BHADRN COc1cccc(C)c1NC/C(Cl)=C\Cl ZINC000380363661 712897921 /nfs/dbraw/zinc/89/79/21/712897921.db2.gz ZQURYZFOYUAMFO-RMKNXTFCSA-N 0 0 246.137 3.735 20 0 BHADRN C[C@H]1CN(C(=S)Nc2ccccc2)C(C)(C)C1 ZINC000380376299 712900197 /nfs/dbraw/zinc/90/01/97/712900197.db2.gz IKPOCARHRBTEJM-LLVKDONJSA-N 0 0 248.395 3.504 20 0 BHADRN C[C@@H]1CN(C(=S)Nc2ccccc2)C(C)(C)C1 ZINC000380376300 712900232 /nfs/dbraw/zinc/90/02/32/712900232.db2.gz IKPOCARHRBTEJM-NSHDSACASA-N 0 0 248.395 3.504 20 0 BHADRN CCOc1ccc(N[C@@H]2CC[C@H]2C)cc1Cl ZINC000380594883 712901914 /nfs/dbraw/zinc/90/19/14/712901914.db2.gz TVXUVHMISXHSMS-BXKDBHETSA-N 0 0 239.746 3.949 20 0 BHADRN CCOc1ccc(N[C@H]2CC[C@@H]2C)cc1Cl ZINC000380594886 712901750 /nfs/dbraw/zinc/90/17/50/712901750.db2.gz TVXUVHMISXHSMS-CABZTGNLSA-N 0 0 239.746 3.949 20 0 BHADRN CCOc1ccc(N[C@@H]2CC[C@@H]2C)cc1Cl ZINC000380594893 712901877 /nfs/dbraw/zinc/90/18/77/712901877.db2.gz TVXUVHMISXHSMS-JOYOIKCWSA-N 0 0 239.746 3.949 20 0 BHADRN CCOc1ccc(N[C@H]2CC[C@H]2C)cc1Cl ZINC000380594898 712901788 /nfs/dbraw/zinc/90/17/88/712901788.db2.gz TVXUVHMISXHSMS-SKDRFNHKSA-N 0 0 239.746 3.949 20 0 BHADRN Cc1ccccc1OCCCCC1CCOCC1 ZINC000380635674 367262975 /nfs/dbraw/zinc/26/29/75/367262975.db2.gz QXLCUIZPBBTCII-UHFFFAOYSA-N 0 0 248.366 3.971 20 0 BHADRN Cc1ccc(OCCCCC2CCOCC2)cc1 ZINC000380637543 366915471 /nfs/dbraw/zinc/91/54/71/366915471.db2.gz RKQXSAKHJIDNNW-UHFFFAOYSA-N 0 0 248.366 3.971 20 0 BHADRN CCOc1ccc(OCC)c(N[C@H]2CC[C@@H]2C)c1 ZINC000380661135 712902401 /nfs/dbraw/zinc/90/24/01/712902401.db2.gz HNJBGBODAYOLSJ-AAEUAGOBSA-N 0 0 249.354 3.694 20 0 BHADRN CCOc1ccc(OCC)c(N[C@@H]2CC[C@H]2C)c1 ZINC000380661136 712902212 /nfs/dbraw/zinc/90/22/12/712902212.db2.gz HNJBGBODAYOLSJ-DGCLKSJQSA-N 0 0 249.354 3.694 20 0 BHADRN CCOc1ccc(OCC)c(N[C@@H]2CC[C@@H]2C)c1 ZINC000380661138 712902263 /nfs/dbraw/zinc/90/22/63/712902263.db2.gz HNJBGBODAYOLSJ-WCQYABFASA-N 0 0 249.354 3.694 20 0 BHADRN CCOc1ccc(OCC)c(N[C@H]2CC[C@H]2C)c1 ZINC000380661139 712902186 /nfs/dbraw/zinc/90/21/86/712902186.db2.gz HNJBGBODAYOLSJ-YPMHNXCESA-N 0 0 249.354 3.694 20 0 BHADRN Oc1ccccc1SCOC1CCCCC1 ZINC000380677345 712902588 /nfs/dbraw/zinc/90/25/88/712902588.db2.gz DWIVXDKLTZHVPE-UHFFFAOYSA-N 0 0 238.352 3.791 20 0 BHADRN CC(C)Oc1ccccc1N[C@H]1CC[C@H]1C ZINC000380687342 712902596 /nfs/dbraw/zinc/90/25/96/712902596.db2.gz HYPZRQUHTSOQHH-NEPJUHHUSA-N 0 0 219.328 3.684 20 0 BHADRN CC(C)Oc1ccccc1N[C@@H]1CC[C@@H]1C ZINC000380687343 712902626 /nfs/dbraw/zinc/90/26/26/712902626.db2.gz HYPZRQUHTSOQHH-NWDGAFQWSA-N 0 0 219.328 3.684 20 0 BHADRN CC(C)Oc1ccccc1N[C@H]1CC[C@@H]1C ZINC000380687344 712902446 /nfs/dbraw/zinc/90/24/46/712902446.db2.gz HYPZRQUHTSOQHH-RYUDHWBXSA-N 0 0 219.328 3.684 20 0 BHADRN CC(C)Oc1ccccc1N[C@@H]1CC[C@H]1C ZINC000380687349 712902505 /nfs/dbraw/zinc/90/25/05/712902505.db2.gz HYPZRQUHTSOQHH-VXGBXAGGSA-N 0 0 219.328 3.684 20 0 BHADRN COc1cc(C)c(N[C@H]2CCC2(C)C)cc1OC ZINC000380733069 712902693 /nfs/dbraw/zinc/90/26/93/712902693.db2.gz IYIMMJKOCOGVDT-AWEZNQCLSA-N 0 0 249.354 3.613 20 0 BHADRN COc1cc(C)c(N[C@@H]2CCC2(C)C)cc1OC ZINC000380733071 712902711 /nfs/dbraw/zinc/90/27/11/712902711.db2.gz IYIMMJKOCOGVDT-CQSZACIVSA-N 0 0 249.354 3.613 20 0 BHADRN CCC(C)(C)C(=O)CSc1ccccc1F ZINC000380733720 367288627 /nfs/dbraw/zinc/28/86/27/367288627.db2.gz QRPZXFIGSGKBGM-UHFFFAOYSA-N 0 0 240.343 3.923 20 0 BHADRN CCC(C)(C)c1csc(-c2ccccn2)n1 ZINC000380834181 347389655 /nfs/dbraw/zinc/38/96/55/347389655.db2.gz QTRAPUWPNCJZOX-UHFFFAOYSA-N 0 0 232.352 3.893 20 0 BHADRN COC(=O)C[C@@H](C)S[C@H]1C=CCCCCC1 ZINC000380848402 643469891 /nfs/dbraw/zinc/46/98/91/643469891.db2.gz MJXUQHLWLFXODG-NEPJUHHUSA-N 0 0 242.384 3.560 20 0 BHADRN COC(=O)C[C@H](C)S[C@@H]1C=CCCCCC1 ZINC000380848403 388571948 /nfs/dbraw/zinc/57/19/48/388571948.db2.gz MJXUQHLWLFXODG-NWDGAFQWSA-N 0 0 242.384 3.560 20 0 BHADRN COC(=O)C[C@H](C)S[C@H]1C=CCCCCC1 ZINC000380848407 388572073 /nfs/dbraw/zinc/57/20/73/388572073.db2.gz MJXUQHLWLFXODG-RYUDHWBXSA-N 0 0 242.384 3.560 20 0 BHADRN COC(=O)C[C@@H](C)S[C@@H]1C=CCCCCC1 ZINC000380848408 643469872 /nfs/dbraw/zinc/46/98/72/643469872.db2.gz MJXUQHLWLFXODG-VXGBXAGGSA-N 0 0 242.384 3.560 20 0 BHADRN C[C@H]1CC[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000380849421 710592328 /nfs/dbraw/zinc/59/23/28/710592328.db2.gz XLEPHPPJPWOOPK-GZMMTYOYSA-N 0 0 229.245 3.916 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1cccc(C(F)(F)F)c1 ZINC000380849423 710592525 /nfs/dbraw/zinc/59/25/25/710592525.db2.gz XLEPHPPJPWOOPK-KCJUWKMLSA-N 0 0 229.245 3.916 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1cccc(C(F)(F)F)c1 ZINC000380849425 710592143 /nfs/dbraw/zinc/59/21/43/710592143.db2.gz XLEPHPPJPWOOPK-KWQFWETISA-N 0 0 229.245 3.916 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000380849427 710592578 /nfs/dbraw/zinc/59/25/78/710592578.db2.gz XLEPHPPJPWOOPK-LDYMZIIASA-N 0 0 229.245 3.916 20 0 BHADRN CCC(C)(C)c1csc(C[C@@H]2CCCO2)n1 ZINC000380854243 487488044 /nfs/dbraw/zinc/48/80/44/487488044.db2.gz YJDNVYBADWIYBD-JTQLQIEISA-N 0 0 239.384 3.552 20 0 BHADRN CCC(C)(C)c1csc(C[C@H]2CCCO2)n1 ZINC000380854245 487488065 /nfs/dbraw/zinc/48/80/65/487488065.db2.gz YJDNVYBADWIYBD-SNVBAGLBSA-N 0 0 239.384 3.552 20 0 BHADRN CC[C@@H](Cc1ccccc1)[NH2+]Cc1occc1C ZINC000380923202 367322919 /nfs/dbraw/zinc/32/29/19/367322919.db2.gz DNBZLUIXVIALJX-HNNXBMFYSA-N 0 0 243.350 3.699 20 0 BHADRN CC[C@H](Cc1ccccc1)[NH2+]Cc1occc1C ZINC000380923203 367323119 /nfs/dbraw/zinc/32/31/19/367323119.db2.gz DNBZLUIXVIALJX-OAHLLOKOSA-N 0 0 243.350 3.699 20 0 BHADRN c1cn2c(n1)[C@@H](Nc1ccc3ccccc3c1)CC2 ZINC000380937067 710595561 /nfs/dbraw/zinc/59/55/61/710595561.db2.gz XAXNGSYLNFLSAA-HNNXBMFYSA-N 0 0 249.317 3.593 20 0 BHADRN c1cn2c(n1)[C@H](Nc1ccc3ccccc3c1)CC2 ZINC000380937076 710595739 /nfs/dbraw/zinc/59/57/39/710595739.db2.gz XAXNGSYLNFLSAA-OAHLLOKOSA-N 0 0 249.317 3.593 20 0 BHADRN CC(C)[C@@H]1CCC[C@@H](NC2(C(F)F)CC2)C1 ZINC000380980501 367329462 /nfs/dbraw/zinc/32/94/62/367329462.db2.gz AXHWSQLAXBPBJV-GHMZBOCLSA-N 0 0 231.330 3.589 20 0 BHADRN CC(C)[C@@H]1CCC[C@H](NC2(C(F)F)CC2)C1 ZINC000380980507 350086314 /nfs/dbraw/zinc/08/63/14/350086314.db2.gz AXHWSQLAXBPBJV-MNOVXSKESA-N 0 0 231.330 3.589 20 0 BHADRN CC(C)[C@H]1CCC[C@H](NC2(C(F)F)CC2)C1 ZINC000380980508 350086595 /nfs/dbraw/zinc/08/65/95/350086595.db2.gz AXHWSQLAXBPBJV-QWRGUYRKSA-N 0 0 231.330 3.589 20 0 BHADRN CC(C)[C@H]1CCC[C@@H](NC2(C(F)F)CC2)C1 ZINC000380980512 367329709 /nfs/dbraw/zinc/32/97/09/367329709.db2.gz AXHWSQLAXBPBJV-WDEREUQCSA-N 0 0 231.330 3.589 20 0 BHADRN Cc1cc(C)c(CNc2cncc(F)c2)c(C)c1 ZINC000380982393 367329647 /nfs/dbraw/zinc/32/96/47/367329647.db2.gz DNBKJUNPNWDQGQ-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN CC(C)=CCOc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000380991368 710596602 /nfs/dbraw/zinc/59/66/02/710596602.db2.gz LDRMHTLXBOLRQT-UHFFFAOYSA-N 0 0 241.674 3.593 20 0 BHADRN Cc1ccc(N[C@H](C)COC(C)C)cc1Cl ZINC000381012820 350388177 /nfs/dbraw/zinc/38/81/77/350388177.db2.gz ACNMNONUTGEGBL-LLVKDONJSA-N 0 0 241.762 3.874 20 0 BHADRN Cc1ccc(N[C@@H](C)COC(C)C)cc1Cl ZINC000381012822 350388318 /nfs/dbraw/zinc/38/83/18/350388318.db2.gz ACNMNONUTGEGBL-NSHDSACASA-N 0 0 241.762 3.874 20 0 BHADRN CC(C)CC[C@@H](C)N[C@@H](C(C)C)C(F)(F)F ZINC000381033477 367338367 /nfs/dbraw/zinc/33/83/67/367338367.db2.gz AVMMIJWMGYAHQA-MNOVXSKESA-N 0 0 239.325 3.988 20 0 BHADRN CC(C)CC[C@H](C)N[C@@H](C(C)C)C(F)(F)F ZINC000381033480 367337875 /nfs/dbraw/zinc/33/78/75/367337875.db2.gz AVMMIJWMGYAHQA-QWRGUYRKSA-N 0 0 239.325 3.988 20 0 BHADRN CC(=O)Nc1ccc(NC[C@@H](C)C(C)(C)C)cc1 ZINC000381034004 538994531 /nfs/dbraw/zinc/99/45/31/538994531.db2.gz KTQARLOTJPPNOE-LLVKDONJSA-N 0 0 248.370 3.739 20 0 BHADRN CC(=O)Nc1ccc(NC[C@H](C)C(C)(C)C)cc1 ZINC000381034006 538994719 /nfs/dbraw/zinc/99/47/19/538994719.db2.gz KTQARLOTJPPNOE-NSHDSACASA-N 0 0 248.370 3.739 20 0 BHADRN CC(C)(C)OCCCNc1cccc(Cl)c1 ZINC000381040929 538994607 /nfs/dbraw/zinc/99/46/07/538994607.db2.gz DPKMKUXWKGFYKK-UHFFFAOYSA-N 0 0 241.762 3.957 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCC2)C1CCC1 ZINC000381043405 343882933 /nfs/dbraw/zinc/88/29/33/343882933.db2.gz CTMSKJYYEWXAKJ-LLVKDONJSA-N 0 0 215.340 3.776 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCC2)C1CCC1 ZINC000381043408 343882877 /nfs/dbraw/zinc/88/28/77/343882877.db2.gz CTMSKJYYEWXAKJ-NSHDSACASA-N 0 0 215.340 3.776 20 0 BHADRN C[C@H](CCC(C)(C)C)Nc1ccc(CCO)cc1 ZINC000381045697 367342724 /nfs/dbraw/zinc/34/27/24/367342724.db2.gz OKVVBCSXYCSSCD-CYBMUJFWSA-N 0 0 249.398 3.848 20 0 BHADRN C[C@@H](CCC(C)(C)C)Nc1ccc(CCO)cc1 ZINC000381045698 367342424 /nfs/dbraw/zinc/34/24/24/367342424.db2.gz OKVVBCSXYCSSCD-ZDUSSCGKSA-N 0 0 249.398 3.848 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@H]2CCCO2)cc1Cl ZINC000381047602 367341983 /nfs/dbraw/zinc/34/19/83/367341983.db2.gz FXPKENHCTJWYNE-GWCFXTLKSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000381047603 367341972 /nfs/dbraw/zinc/34/19/72/367341972.db2.gz FXPKENHCTJWYNE-GXFFZTMASA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000381047605 343895441 /nfs/dbraw/zinc/89/54/41/343895441.db2.gz FXPKENHCTJWYNE-MFKMUULPSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@H](C)[C@H]2CCCO2)cc1Cl ZINC000381047607 343895229 /nfs/dbraw/zinc/89/52/29/343895229.db2.gz FXPKENHCTJWYNE-ZWNOBZJWSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)[C@@H]1CCCO1 ZINC000381093808 367350592 /nfs/dbraw/zinc/35/05/92/367350592.db2.gz VXCDLSKGQNWVRO-GWCFXTLKSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)[C@H]1CCCO1 ZINC000381093813 367350828 /nfs/dbraw/zinc/35/08/28/367350828.db2.gz VXCDLSKGQNWVRO-GXFFZTMASA-N 0 0 239.746 3.628 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)[C@@H]1CCCO1 ZINC000381093814 367350618 /nfs/dbraw/zinc/35/06/18/367350618.db2.gz VXCDLSKGQNWVRO-MFKMUULPSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)[C@H]1CCCO1 ZINC000381093817 367350215 /nfs/dbraw/zinc/35/02/15/367350215.db2.gz VXCDLSKGQNWVRO-ZWNOBZJWSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@H]2CCCO2)c(Cl)c1 ZINC000381101802 398173442 /nfs/dbraw/zinc/17/34/42/398173442.db2.gz XYWRGGGPMHTJJX-GWCFXTLKSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@H]2CCCO2)c(Cl)c1 ZINC000381101804 398173348 /nfs/dbraw/zinc/17/33/48/398173348.db2.gz XYWRGGGPMHTJJX-GXFFZTMASA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@H]2CCCO2)c(Cl)c1 ZINC000381101805 343974911 /nfs/dbraw/zinc/97/49/11/343974911.db2.gz XYWRGGGPMHTJJX-MFKMUULPSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(N[C@H](C)[C@H]2CCCO2)c(Cl)c1 ZINC000381101806 343974914 /nfs/dbraw/zinc/97/49/14/343974914.db2.gz XYWRGGGPMHTJJX-ZWNOBZJWSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1cc(C)cc(CSCCC[C@@H](C)O)c1 ZINC000381114046 490290298 /nfs/dbraw/zinc/29/02/98/490290298.db2.gz GRAJBYWFMYBJJZ-CYBMUJFWSA-N 0 0 238.396 3.698 20 0 BHADRN Cc1cc(C)cc(CSCCC[C@H](C)O)c1 ZINC000381114052 367351483 /nfs/dbraw/zinc/35/14/83/367351483.db2.gz GRAJBYWFMYBJJZ-ZDUSSCGKSA-N 0 0 238.396 3.698 20 0 BHADRN CC(C)=CCNc1cccc2c1ccn2C ZINC000381123620 367353407 /nfs/dbraw/zinc/35/34/07/367353407.db2.gz JBKHIWJPTBYEJR-UHFFFAOYSA-N 0 0 214.312 3.556 20 0 BHADRN C[C@H](CNc1c(Cl)cccc1C#N)C1CC1 ZINC000381128814 344478747 /nfs/dbraw/zinc/47/87/47/344478747.db2.gz KCYHQSIICPWSPH-SECBINFHSA-N 0 0 234.730 3.670 20 0 BHADRN C[C@@H](CNc1c(Cl)cccc1C#N)C1CC1 ZINC000381128816 344478725 /nfs/dbraw/zinc/47/87/25/344478725.db2.gz KCYHQSIICPWSPH-VIFPVBQESA-N 0 0 234.730 3.670 20 0 BHADRN CC(C)CC[C@H](NCC(F)(F)F)C(C)(C)C ZINC000381129725 367355215 /nfs/dbraw/zinc/35/52/15/367355215.db2.gz KJNGCAMZBJAJCQ-JTQLQIEISA-N 0 0 239.325 3.989 20 0 BHADRN CC(C)CC[C@@H](NCC(F)(F)F)C(C)(C)C ZINC000381129732 367353277 /nfs/dbraw/zinc/35/32/77/367353277.db2.gz KJNGCAMZBJAJCQ-SNVBAGLBSA-N 0 0 239.325 3.989 20 0 BHADRN CC(C)[C@H](NC1CCCCCC1)C(F)(F)F ZINC000381155740 398241943 /nfs/dbraw/zinc/24/19/43/398241943.db2.gz QCAKTBXYKFXACZ-NSHDSACASA-N 0 0 237.309 3.886 20 0 BHADRN Cc1cc(F)c(F)cc1OCc1cccnc1C ZINC000381162795 538995612 /nfs/dbraw/zinc/99/56/12/538995612.db2.gz HHCKHVSCDNXLMO-UHFFFAOYSA-N 0 0 249.260 3.556 20 0 BHADRN Cc1ccccc1[C@@H](C)[NH2+]Cc1cccnc1C ZINC000381166566 344481439 /nfs/dbraw/zinc/48/14/39/344481439.db2.gz AOZAVCOVXOOGPA-CQSZACIVSA-N 0 0 240.350 3.549 20 0 BHADRN CC(C)[C@H](NC1CCC(C)CC1)C(F)(F)F ZINC000381174316 344105016 /nfs/dbraw/zinc/10/50/16/344105016.db2.gz UVABIGAXKDQIMS-ILDUYXDCSA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)[C@H](N[C@@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000381175012 344107303 /nfs/dbraw/zinc/10/73/03/344107303.db2.gz UZWOAVAPAKPJHG-AXFHLTTASA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)[C@H](N[C@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000381175013 344107692 /nfs/dbraw/zinc/10/76/92/344107692.db2.gz UZWOAVAPAKPJHG-DCAQKATOSA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)[C@H](N[C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000381175014 344107552 /nfs/dbraw/zinc/10/75/52/344107552.db2.gz UZWOAVAPAKPJHG-MXWKQRLJSA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)[C@H](N[C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000381175015 344107294 /nfs/dbraw/zinc/10/72/94/344107294.db2.gz UZWOAVAPAKPJHG-VWYCJHECSA-N 0 0 237.309 3.742 20 0 BHADRN C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCC1(F)F ZINC000381192899 541461177 /nfs/dbraw/zinc/46/11/77/541461177.db2.gz ZFMKGWYAXKBUBE-GHMZBOCLSA-N 0 0 233.346 3.979 20 0 BHADRN C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCC1(F)F ZINC000381192900 541461094 /nfs/dbraw/zinc/46/10/94/541461094.db2.gz ZFMKGWYAXKBUBE-MNOVXSKESA-N 0 0 233.346 3.979 20 0 BHADRN C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCCC1(F)F ZINC000381192902 541460991 /nfs/dbraw/zinc/46/09/91/541460991.db2.gz ZFMKGWYAXKBUBE-QWRGUYRKSA-N 0 0 233.346 3.979 20 0 BHADRN C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCCC1(F)F ZINC000381192903 541461070 /nfs/dbraw/zinc/46/10/70/541461070.db2.gz ZFMKGWYAXKBUBE-WDEREUQCSA-N 0 0 233.346 3.979 20 0 BHADRN CCC(CC)Nc1cc(F)c(OC)cc1C ZINC000381198213 710607714 /nfs/dbraw/zinc/60/77/14/710607714.db2.gz BOHIQLADLFDDFK-UHFFFAOYSA-N 0 0 225.307 3.743 20 0 BHADRN Cc1cccc(N[C@H](C)COC(C)C)c1Cl ZINC000381199569 367362607 /nfs/dbraw/zinc/36/26/07/367362607.db2.gz FDCRCEOEAAQVDK-LLVKDONJSA-N 0 0 241.762 3.874 20 0 BHADRN Cc1cccc(N[C@@H](C)COC(C)C)c1Cl ZINC000381199572 384802162 /nfs/dbraw/zinc/80/21/62/384802162.db2.gz FDCRCEOEAAQVDK-NSHDSACASA-N 0 0 241.762 3.874 20 0 BHADRN CC(C)Oc1ccc(Cl)cc1NCC1CC1 ZINC000381200829 367362622 /nfs/dbraw/zinc/36/26/22/367362622.db2.gz FHSBPAIQINLWDH-UHFFFAOYSA-N 0 0 239.746 3.949 20 0 BHADRN CC(C)CNc1ccccc1NC(C)(C)C ZINC000381206479 710610012 /nfs/dbraw/zinc/61/00/12/710610012.db2.gz GJERJXOUMGELNQ-UHFFFAOYSA-N 0 0 220.360 3.965 20 0 BHADRN CC1(CNc2cccc(OC(F)F)c2)CC1 ZINC000381214410 367364245 /nfs/dbraw/zinc/36/42/45/367364245.db2.gz HSNFBJDXDOFVLD-UHFFFAOYSA-N 0 0 227.254 3.500 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H](C)[C@@H]1CCCO1 ZINC000381217582 367364232 /nfs/dbraw/zinc/36/42/32/367364232.db2.gz GEBMVEDKDVYUDF-GWCFXTLKSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H](C)[C@H]1CCCO1 ZINC000381217584 367364405 /nfs/dbraw/zinc/36/44/05/367364405.db2.gz GEBMVEDKDVYUDF-GXFFZTMASA-N 0 0 239.746 3.628 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H](C)[C@@H]1CCCO1 ZINC000381217587 367364823 /nfs/dbraw/zinc/36/48/23/367364823.db2.gz GEBMVEDKDVYUDF-MFKMUULPSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H](C)[C@H]1CCCO1 ZINC000381217589 367365250 /nfs/dbraw/zinc/36/52/50/367365250.db2.gz GEBMVEDKDVYUDF-ZWNOBZJWSA-N 0 0 239.746 3.628 20 0 BHADRN CC1(CNc2ccsc2[N+](=O)[O-])CCCC1 ZINC000381219123 344487623 /nfs/dbraw/zinc/48/76/23/344487623.db2.gz IMHVWSHJMORMIF-UHFFFAOYSA-N 0 0 240.328 3.649 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)c1ccc(Cl)o1 ZINC000381221042 367366705 /nfs/dbraw/zinc/36/67/05/367366705.db2.gz GXRNHHWWIBBTHT-SECBINFHSA-N 0 0 243.734 3.584 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)c1ccc(Cl)o1 ZINC000381221043 367366888 /nfs/dbraw/zinc/36/68/88/367366888.db2.gz GXRNHHWWIBBTHT-VIFPVBQESA-N 0 0 243.734 3.584 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)COC(C)C ZINC000381223527 367365982 /nfs/dbraw/zinc/36/59/82/367365982.db2.gz JHSLODMDMUWAFH-JTQLQIEISA-N 0 0 241.762 3.874 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)COC(C)C ZINC000381223529 367366487 /nfs/dbraw/zinc/36/64/87/367366487.db2.gz JHSLODMDMUWAFH-SNVBAGLBSA-N 0 0 241.762 3.874 20 0 BHADRN COCC(C)(C)CNc1ccc2ccccc2c1 ZINC000381233638 710610632 /nfs/dbraw/zinc/61/06/32/710610632.db2.gz IUESBFWAGUPSTM-UHFFFAOYSA-N 0 0 243.350 3.924 20 0 BHADRN CC1(C)CC(Nc2ccc3scnc3c2)C1 ZINC000381239576 367369559 /nfs/dbraw/zinc/36/95/59/367369559.db2.gz AAGRMIMSADKPCS-UHFFFAOYSA-N 0 0 232.352 3.897 20 0 BHADRN CCC(C)(C)OCc1cccc(NC)c1C ZINC000381242052 367370160 /nfs/dbraw/zinc/37/01/60/367370160.db2.gz NIPVSDOMQJMYEO-UHFFFAOYSA-N 0 0 221.344 3.742 20 0 BHADRN C[C@H]1CCCC[C@H]1Nc1ccsc1[N+](=O)[O-] ZINC000381245194 344488042 /nfs/dbraw/zinc/48/80/42/344488042.db2.gz OBMTZUHSBCPZGU-DTWKUNHWSA-N 0 0 240.328 3.647 20 0 BHADRN C[C@H]1CCCC[C@@H]1Nc1ccsc1[N+](=O)[O-] ZINC000381245196 344488161 /nfs/dbraw/zinc/48/81/61/344488161.db2.gz OBMTZUHSBCPZGU-IUCAKERBSA-N 0 0 240.328 3.647 20 0 BHADRN C[C@@H]1CCCC[C@H]1Nc1ccsc1[N+](=O)[O-] ZINC000381245204 344488357 /nfs/dbraw/zinc/48/83/57/344488357.db2.gz OBMTZUHSBCPZGU-RKDXNWHRSA-N 0 0 240.328 3.647 20 0 BHADRN FC(F)(F)CN[C@H]1CCCCC12CCCC2 ZINC000381254417 367370412 /nfs/dbraw/zinc/37/04/12/367370412.db2.gz PNHTZFNUUQDKDN-JTQLQIEISA-N 0 0 235.293 3.641 20 0 BHADRN FC(F)(F)CN[C@@H]1CCCCC12CCCC2 ZINC000381254421 367370220 /nfs/dbraw/zinc/37/02/20/367370220.db2.gz PNHTZFNUUQDKDN-SNVBAGLBSA-N 0 0 235.293 3.641 20 0 BHADRN CC(C)Oc1cc(F)ccc1NC/C=C\Cl ZINC000381259712 710613395 /nfs/dbraw/zinc/61/33/95/710613395.db2.gz RQFQCRRGDCZMQB-UTCJRWHESA-N 0 0 243.709 3.777 20 0 BHADRN CC(C)Oc1cc(F)ccc1NC/C=C/Cl ZINC000381259713 710612712 /nfs/dbraw/zinc/61/27/12/710612712.db2.gz RQFQCRRGDCZMQB-ZZXKWVIFSA-N 0 0 243.709 3.777 20 0 BHADRN CC(C)OC1CC(Nc2ccccc2Cl)C1 ZINC000381260188 344318503 /nfs/dbraw/zinc/31/85/03/344318503.db2.gz RVDGEMOLZFAHFH-UHFFFAOYSA-N 0 0 239.746 3.708 20 0 BHADRN Cc1ccc(NCC2CC2)cc1OC(C)C ZINC000381263144 344326029 /nfs/dbraw/zinc/32/60/29/344326029.db2.gz SNZRTJXEMMZLBA-UHFFFAOYSA-N 0 0 219.328 3.604 20 0 BHADRN CC1(CNc2ccc([N+](=O)[O-])s2)CCCC1 ZINC000381269007 344478822 /nfs/dbraw/zinc/47/88/22/344478822.db2.gz UZPCIFNMBNDKHU-UHFFFAOYSA-N 0 0 240.328 3.649 20 0 BHADRN C[C@H]1C[C@H]1CNc1cccc2ccccc21 ZINC000381269675 367373028 /nfs/dbraw/zinc/37/30/28/367373028.db2.gz VFWVRKRCIXIWKG-AAEUAGOBSA-N 0 0 211.308 3.908 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1cccc2ccccc21 ZINC000381269683 367373133 /nfs/dbraw/zinc/37/31/33/367373133.db2.gz VFWVRKRCIXIWKG-DGCLKSJQSA-N 0 0 211.308 3.908 20 0 BHADRN C[C@H]1C[C@@H]1CNc1cccc2ccccc21 ZINC000381269703 367373241 /nfs/dbraw/zinc/37/32/41/367373241.db2.gz VFWVRKRCIXIWKG-WCQYABFASA-N 0 0 211.308 3.908 20 0 BHADRN C[C@@H]1C[C@H]1CNc1cccc2ccccc21 ZINC000381269705 367373997 /nfs/dbraw/zinc/37/39/97/367373997.db2.gz VFWVRKRCIXIWKG-YPMHNXCESA-N 0 0 211.308 3.908 20 0 BHADRN Cc1cc(CNCc2ccc(Cl)o2)cs1 ZINC000381290332 398249740 /nfs/dbraw/zinc/24/97/40/398249740.db2.gz NIXCSQVDABDQFA-UHFFFAOYSA-N 0 0 241.743 3.593 20 0 BHADRN CC[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)C(F)(F)F ZINC000381292434 367376187 /nfs/dbraw/zinc/37/61/87/367376187.db2.gz DUKUEJRZJFQGRI-DBIOUOCHSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)C(F)(F)F ZINC000381292435 367375866 /nfs/dbraw/zinc/37/58/66/367375866.db2.gz DUKUEJRZJFQGRI-MMWGEVLESA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)C(F)(F)F ZINC000381292574 367375742 /nfs/dbraw/zinc/37/57/42/367375742.db2.gz DUKUEJRZJFQGRI-YTWAJWBKSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)C(F)(F)F ZINC000381292576 345254383 /nfs/dbraw/zinc/25/43/83/345254383.db2.gz DUKUEJRZJFQGRI-ZDCRXTMVSA-N 0 0 237.309 3.742 20 0 BHADRN CN(C)c1ccc(NCC2(C)CC2)cc1Cl ZINC000381292616 710617607 /nfs/dbraw/zinc/61/76/07/710617607.db2.gz DVVYLNCXRPSFLM-UHFFFAOYSA-N 0 0 238.762 3.618 20 0 BHADRN CCCC[C@@H](CC)N[C@H](C1CC1)C(F)(F)F ZINC000381298138 345264213 /nfs/dbraw/zinc/26/42/13/345264213.db2.gz HGKKWRJEHNKCGK-GHMZBOCLSA-N 0 0 237.309 3.886 20 0 BHADRN CCCC[C@@H](CC)N[C@@H](C1CC1)C(F)(F)F ZINC000381298139 345264137 /nfs/dbraw/zinc/26/41/37/345264137.db2.gz HGKKWRJEHNKCGK-MNOVXSKESA-N 0 0 237.309 3.886 20 0 BHADRN CCCC[C@H](CC)N[C@@H](C1CC1)C(F)(F)F ZINC000381298141 367376934 /nfs/dbraw/zinc/37/69/34/367376934.db2.gz HGKKWRJEHNKCGK-QWRGUYRKSA-N 0 0 237.309 3.886 20 0 BHADRN CCCC[C@H](CC)N[C@H](C1CC1)C(F)(F)F ZINC000381298143 367376618 /nfs/dbraw/zinc/37/66/18/367376618.db2.gz HGKKWRJEHNKCGK-WDEREUQCSA-N 0 0 237.309 3.886 20 0 BHADRN CCC[C@@H](C)Nc1cccc2c1OCCC2 ZINC000381303622 345273546 /nfs/dbraw/zinc/27/35/46/345273546.db2.gz JDBBRMLTJXIWOE-LLVKDONJSA-N 0 0 219.328 3.612 20 0 BHADRN CCC[C@H](C)Nc1cccc2c1OCCC2 ZINC000381303623 345273476 /nfs/dbraw/zinc/27/34/76/345273476.db2.gz JDBBRMLTJXIWOE-NSHDSACASA-N 0 0 219.328 3.612 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc(-c3cc[nH]n3)c2)[C@@H]1C ZINC000381303823 367377232 /nfs/dbraw/zinc/37/72/32/367377232.db2.gz BGUJDYHVNIFXBI-HFAKWTLXSA-N 0 0 241.338 3.533 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc(-c3cc[nH]n3)c2)[C@H]1C ZINC000381303826 367377030 /nfs/dbraw/zinc/37/70/30/367377030.db2.gz BGUJDYHVNIFXBI-JRPNMDOOSA-N 0 0 241.338 3.533 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc(-c3cc[nH]n3)c2)[C@@H]1C ZINC000381303830 367376726 /nfs/dbraw/zinc/37/67/26/367376726.db2.gz BGUJDYHVNIFXBI-UEKVPHQBSA-N 0 0 241.338 3.533 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc(-c3cc[nH]n3)c2)[C@H]1C ZINC000381303833 367376720 /nfs/dbraw/zinc/37/67/20/367376720.db2.gz BGUJDYHVNIFXBI-ZETOZRRWSA-N 0 0 241.338 3.533 20 0 BHADRN CC(C)Oc1ccccc1NCC1(C)CC1 ZINC000381304652 345278780 /nfs/dbraw/zinc/27/87/80/345278780.db2.gz JKQONRRQHLKCGW-UHFFFAOYSA-N 0 0 219.328 3.686 20 0 BHADRN COc1cccc(N[C@H]2CC[C@H]2C(C)C)c1 ZINC000381311690 538997618 /nfs/dbraw/zinc/99/76/18/538997618.db2.gz AJSKFBOGIJZVJH-KBPBESRZSA-N 0 0 219.328 3.542 20 0 BHADRN COc1cccc(N[C@H]2CC[C@@H]2C(C)C)c1 ZINC000381311693 538997665 /nfs/dbraw/zinc/99/76/65/538997665.db2.gz AJSKFBOGIJZVJH-KGLIPLIRSA-N 0 0 219.328 3.542 20 0 BHADRN COc1cccc(N[C@@H]2CC[C@H]2C(C)C)c1 ZINC000381311695 538997721 /nfs/dbraw/zinc/99/77/21/538997721.db2.gz AJSKFBOGIJZVJH-UONOGXRCSA-N 0 0 219.328 3.542 20 0 BHADRN COc1cccc(N[C@@H]2CC[C@@H]2C(C)C)c1 ZINC000381311699 538997518 /nfs/dbraw/zinc/99/75/18/538997518.db2.gz AJSKFBOGIJZVJH-ZIAGYGMSSA-N 0 0 219.328 3.542 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)COC(C)C)c1 ZINC000381311784 345292687 /nfs/dbraw/zinc/29/26/87/345292687.db2.gz OTULVHZBTZPKTK-LLVKDONJSA-N 0 0 241.762 3.874 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)COC(C)C)c1 ZINC000381311785 345292647 /nfs/dbraw/zinc/29/26/47/345292647.db2.gz OTULVHZBTZPKTK-NSHDSACASA-N 0 0 241.762 3.874 20 0 BHADRN CCC[C@@H](C)Nc1ccc2ccn(C)c2c1 ZINC000381317998 367379945 /nfs/dbraw/zinc/37/99/45/367379945.db2.gz NTYMSRMBCWKESN-LLVKDONJSA-N 0 0 216.328 3.779 20 0 BHADRN CCC[C@H](C)Nc1ccc2ccn(C)c2c1 ZINC000381317999 367379909 /nfs/dbraw/zinc/37/99/09/367379909.db2.gz NTYMSRMBCWKESN-NSHDSACASA-N 0 0 216.328 3.779 20 0 BHADRN CCCC[C@H](CC)C[NH2+][C@H](C)c1ccon1 ZINC000381320874 345311385 /nfs/dbraw/zinc/31/13/85/345311385.db2.gz ORVKTEVFGPUBJY-NEPJUHHUSA-N 0 0 224.348 3.542 20 0 BHADRN CCCC[C@@H](CC)C[NH2+][C@@H](C)c1ccon1 ZINC000381320875 345311241 /nfs/dbraw/zinc/31/12/41/345311241.db2.gz ORVKTEVFGPUBJY-NWDGAFQWSA-N 0 0 224.348 3.542 20 0 BHADRN CCCC[C@H](CC)C[NH2+][C@@H](C)c1ccon1 ZINC000381320876 345311106 /nfs/dbraw/zinc/31/11/06/345311106.db2.gz ORVKTEVFGPUBJY-RYUDHWBXSA-N 0 0 224.348 3.542 20 0 BHADRN CCCC[C@@H](CC)C[NH2+][C@H](C)c1ccon1 ZINC000381320877 345311309 /nfs/dbraw/zinc/31/13/09/345311309.db2.gz ORVKTEVFGPUBJY-VXGBXAGGSA-N 0 0 224.348 3.542 20 0 BHADRN CCC1(C)CCC(NC2(C(F)F)CC2)CC1 ZINC000381321180 367381545 /nfs/dbraw/zinc/38/15/45/367381545.db2.gz OUMCXOHNJXLMEE-UHFFFAOYSA-N 0 0 231.330 3.733 20 0 BHADRN CCCOc1ccccc1NCCC1CC1 ZINC000381332304 538998013 /nfs/dbraw/zinc/99/80/13/538998013.db2.gz UILNYLKJWDXFGH-UHFFFAOYSA-N 0 0 219.328 3.687 20 0 BHADRN CCC1(C)CCC(N[C@H](C)C(F)(F)F)CC1 ZINC000381333985 367383378 /nfs/dbraw/zinc/38/33/78/367383378.db2.gz UYFKOLXENPRHGI-KPPDAEKUSA-N 0 0 237.309 3.886 20 0 BHADRN CCC1(C)CCC(N[C@@H](C)C(F)(F)F)CC1 ZINC000381333989 367382263 /nfs/dbraw/zinc/38/22/63/367382263.db2.gz UYFKOLXENPRHGI-WHXUTIOJSA-N 0 0 237.309 3.886 20 0 BHADRN COc1ccc(N[C@@H](C)c2csc(C)c2)cn1 ZINC000381341413 367384280 /nfs/dbraw/zinc/38/42/80/367384280.db2.gz FHUVDHZOQULMJZ-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccc(N[C@H](C)c2csc(C)c2)cn1 ZINC000381341414 367384319 /nfs/dbraw/zinc/38/43/19/367384319.db2.gz FHUVDHZOQULMJZ-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN CCCOc1ccccc1NCC1(C)CC1 ZINC000381349234 345436963 /nfs/dbraw/zinc/43/69/63/345436963.db2.gz AOMJNSNDCSVKQL-UHFFFAOYSA-N 0 0 219.328 3.687 20 0 BHADRN C[C@@H](CCC1CCCC1)NC1(C(F)F)CC1 ZINC000381350244 345439199 /nfs/dbraw/zinc/43/91/99/345439199.db2.gz BKNOZNPHKQWRDM-JTQLQIEISA-N 0 0 231.330 3.733 20 0 BHADRN C[C@H](CCC1CCCC1)NC1(C(F)F)CC1 ZINC000381350261 367385890 /nfs/dbraw/zinc/38/58/90/367385890.db2.gz BKNOZNPHKQWRDM-SNVBAGLBSA-N 0 0 231.330 3.733 20 0 BHADRN Cc1ccc(N[C@@H]2CCC23CCC3)c(F)c1 ZINC000381350837 345442296 /nfs/dbraw/zinc/44/22/96/345442296.db2.gz BQBLEHIVBYIUKP-CYBMUJFWSA-N 0 0 219.303 3.879 20 0 BHADRN Cc1ccc(N[C@H]2CCC23CCC3)c(F)c1 ZINC000381350838 345442088 /nfs/dbraw/zinc/44/20/88/345442088.db2.gz BQBLEHIVBYIUKP-ZDUSSCGKSA-N 0 0 219.303 3.879 20 0 BHADRN CC1(C)CCC(CNC2(C(F)F)CC2)CC1 ZINC000381351201 345440646 /nfs/dbraw/zinc/44/06/46/345440646.db2.gz AWMIWYSAWPFVJA-UHFFFAOYSA-N 0 0 231.330 3.590 20 0 BHADRN COc1cc(SC)ccc1NCC1(C)CC1 ZINC000381352271 538998791 /nfs/dbraw/zinc/99/87/91/538998791.db2.gz BZSBYYIYKRDBEM-UHFFFAOYSA-N 0 0 237.368 3.629 20 0 BHADRN c1cc(CNc2cccc3ccsc32)no1 ZINC000381353450 538998737 /nfs/dbraw/zinc/99/87/37/538998737.db2.gz BXGJMRGYMUNIRD-UHFFFAOYSA-N 0 0 230.292 3.501 20 0 BHADRN COc1cc(N[C@H](C)C(C)(C)C)ccc1F ZINC000381358758 345487104 /nfs/dbraw/zinc/48/71/04/345487104.db2.gz FATHHMOCDPOKHP-SECBINFHSA-N 0 0 225.307 3.681 20 0 BHADRN COc1cc(N[C@@H](C)C(C)(C)C)ccc1F ZINC000381358781 345488086 /nfs/dbraw/zinc/48/80/86/345488086.db2.gz FATHHMOCDPOKHP-VIFPVBQESA-N 0 0 225.307 3.681 20 0 BHADRN CSc1ccncc1N[C@H](C)[C@H]1CC1(C)C ZINC000381367309 538999548 /nfs/dbraw/zinc/99/95/48/538999548.db2.gz HEMFZEKERNLQBN-NXEZZACHSA-N 0 0 236.384 3.650 20 0 BHADRN CSc1ccncc1N[C@@H](C)[C@@H]1CC1(C)C ZINC000381367313 538999315 /nfs/dbraw/zinc/99/93/15/538999315.db2.gz HEMFZEKERNLQBN-UWVGGRQHSA-N 0 0 236.384 3.650 20 0 BHADRN CSc1ccncc1N[C@@H](C)[C@H]1CC1(C)C ZINC000381367315 538999279 /nfs/dbraw/zinc/99/92/79/538999279.db2.gz HEMFZEKERNLQBN-VHSXEESVSA-N 0 0 236.384 3.650 20 0 BHADRN CSc1ccncc1N[C@H](C)[C@@H]1CC1(C)C ZINC000381367317 538999352 /nfs/dbraw/zinc/99/93/52/538999352.db2.gz HEMFZEKERNLQBN-ZJUUUORDSA-N 0 0 236.384 3.650 20 0 BHADRN CSc1ccccc1N[C@H](C)COC(C)C ZINC000381367974 345567297 /nfs/dbraw/zinc/56/72/97/345567297.db2.gz HKPRTJHKJZTNAE-LLVKDONJSA-N 0 0 239.384 3.634 20 0 BHADRN CSc1ccccc1N[C@@H](C)COC(C)C ZINC000381367975 345567154 /nfs/dbraw/zinc/56/71/54/345567154.db2.gz HKPRTJHKJZTNAE-NSHDSACASA-N 0 0 239.384 3.634 20 0 BHADRN CC[C@@H](C)CNc1cccc(N(C)C)c1C ZINC000381372358 345631770 /nfs/dbraw/zinc/63/17/70/345631770.db2.gz ITFCQTMRAYXIGN-LLVKDONJSA-N 0 0 220.360 3.519 20 0 BHADRN CC[C@H](C)CNc1cccc(N(C)C)c1C ZINC000381372363 367390522 /nfs/dbraw/zinc/39/05/22/367390522.db2.gz ITFCQTMRAYXIGN-NSHDSACASA-N 0 0 220.360 3.519 20 0 BHADRN CCCC1(CNc2ncc(Cl)cn2)CCC1 ZINC000381373032 367390439 /nfs/dbraw/zinc/39/04/39/367390439.db2.gz IYCCDLDGPNVFNC-UHFFFAOYSA-N 0 0 239.750 3.512 20 0 BHADRN C[C@H](CCC1CCCC1)N[C@H](C)C(F)(F)F ZINC000381375475 367390381 /nfs/dbraw/zinc/39/03/81/367390381.db2.gz IVIINBBAWMBAGM-NXEZZACHSA-N 0 0 237.309 3.886 20 0 BHADRN C[C@@H](CCC1CCCC1)N[C@@H](C)C(F)(F)F ZINC000381375476 367390494 /nfs/dbraw/zinc/39/04/94/367390494.db2.gz IVIINBBAWMBAGM-UWVGGRQHSA-N 0 0 237.309 3.886 20 0 BHADRN C[C@@H](N[C@@H](C)CCC1CCCC1)C(F)(F)F ZINC000381375477 367390186 /nfs/dbraw/zinc/39/01/86/367390186.db2.gz IVIINBBAWMBAGM-VHSXEESVSA-N 0 0 237.309 3.886 20 0 BHADRN C[C@H](CCC1CCCC1)N[C@@H](C)C(F)(F)F ZINC000381375479 367390179 /nfs/dbraw/zinc/39/01/79/367390179.db2.gz IVIINBBAWMBAGM-ZJUUUORDSA-N 0 0 237.309 3.886 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc(OC)c(Cl)c1 ZINC000381377341 710628920 /nfs/dbraw/zinc/62/89/20/710628920.db2.gz KDXGBUAQKPWUQD-BXKDBHETSA-N 0 0 239.746 3.949 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccc(OC)c(Cl)c1 ZINC000381377345 710629441 /nfs/dbraw/zinc/62/94/41/710629441.db2.gz KDXGBUAQKPWUQD-CABZTGNLSA-N 0 0 239.746 3.949 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccc(OC)c(Cl)c1 ZINC000381377349 710628968 /nfs/dbraw/zinc/62/89/68/710628968.db2.gz KDXGBUAQKPWUQD-JOYOIKCWSA-N 0 0 239.746 3.949 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc(OC)c(Cl)c1 ZINC000381377357 710629340 /nfs/dbraw/zinc/62/93/40/710629340.db2.gz KDXGBUAQKPWUQD-SKDRFNHKSA-N 0 0 239.746 3.949 20 0 BHADRN COc1cc(C)cc(NCC2(C)CC2)c1C ZINC000381377987 538999129 /nfs/dbraw/zinc/99/91/29/538999129.db2.gz KHMXQJHQFLECQT-UHFFFAOYSA-N 0 0 219.328 3.524 20 0 BHADRN COc1cc(NC(C)C)ccc1C(F)(F)F ZINC000381378019 345721225 /nfs/dbraw/zinc/72/12/25/345721225.db2.gz KJJFQAFISVYCDN-UHFFFAOYSA-N 0 0 233.233 3.534 20 0 BHADRN Cc1cc(NCC2(F)CC2)ccc1C1CC1 ZINC000381379728 345759466 /nfs/dbraw/zinc/75/94/66/345759466.db2.gz KZMUTTLEMKCXRD-UHFFFAOYSA-N 0 0 219.303 3.786 20 0 BHADRN CSc1ccccc1NC1CC(C(F)F)C1 ZINC000381380705 710630467 /nfs/dbraw/zinc/63/04/67/710630467.db2.gz LEOKKDAOPWWMCG-UHFFFAOYSA-N 0 0 243.322 3.864 20 0 BHADRN COc1cccc(F)c1NCCC(C)(C)C ZINC000381381885 367391659 /nfs/dbraw/zinc/39/16/59/367391659.db2.gz LOGDXVYYKZQRBR-UHFFFAOYSA-N 0 0 225.307 3.682 20 0 BHADRN CCc1ccc([C@H](C)[NH2+]C[C@@H](F)CC)cc1 ZINC000381386392 345786627 /nfs/dbraw/zinc/78/66/27/345786627.db2.gz MWHBWZVOOUVRKD-FZMZJTMJSA-N 0 0 223.335 3.648 20 0 BHADRN CC[C@H](C)CNc1ccc(C(C)=O)c(C)c1 ZINC000381389776 345791601 /nfs/dbraw/zinc/79/16/01/345791601.db2.gz NUFGPLSHJYWZDV-JTQLQIEISA-N 0 0 219.328 3.656 20 0 BHADRN CC[C@@H](C)CNc1ccc(C(C)=O)c(C)c1 ZINC000381389781 367392550 /nfs/dbraw/zinc/39/25/50/367392550.db2.gz NUFGPLSHJYWZDV-SNVBAGLBSA-N 0 0 219.328 3.656 20 0 BHADRN COc1cc(C)cc(NCCC2CC2)c1C ZINC000381392507 345793758 /nfs/dbraw/zinc/79/37/58/345793758.db2.gz OPTGAAGWJNUGSL-UHFFFAOYSA-N 0 0 219.328 3.524 20 0 BHADRN CCCCNc1ccc(COC(C)C)cc1 ZINC000381393496 712396144 /nfs/dbraw/zinc/39/61/44/712396144.db2.gz OUOWHFFUNANIJF-UHFFFAOYSA-N 0 0 221.344 3.824 20 0 BHADRN COc1cc(Cl)c(N[C@H](C)C2CC2)cc1C ZINC000381394894 710632200 /nfs/dbraw/zinc/63/22/00/710632200.db2.gz PHQKTWKISQGVHZ-SECBINFHSA-N 0 0 239.746 3.867 20 0 BHADRN COc1cc(Cl)c(N[C@@H](C)C2CC2)cc1C ZINC000381394895 710632236 /nfs/dbraw/zinc/63/22/36/710632236.db2.gz PHQKTWKISQGVHZ-VIFPVBQESA-N 0 0 239.746 3.867 20 0 BHADRN CC[C@H](C)n1ncc(NC2CCCC2)c1C ZINC000381395883 345797369 /nfs/dbraw/zinc/79/73/69/345797369.db2.gz ADHOKNGLMYRCSL-JTQLQIEISA-N 0 0 221.348 3.517 20 0 BHADRN CC[C@@H](C)n1ncc(NC2CCCC2)c1C ZINC000381395893 345797095 /nfs/dbraw/zinc/79/70/95/345797095.db2.gz ADHOKNGLMYRCSL-SNVBAGLBSA-N 0 0 221.348 3.517 20 0 BHADRN Cc1cc(N[C@@H]2CCCOC2)cc(C)c1Cl ZINC000381396683 487992344 /nfs/dbraw/zinc/99/23/44/487992344.db2.gz AIHZWOWLXPAJFE-LLVKDONJSA-N 0 0 239.746 3.548 20 0 BHADRN Cc1cc(N[C@H]2CCCOC2)cc(C)c1Cl ZINC000381396688 487507736 /nfs/dbraw/zinc/50/77/36/487507736.db2.gz AIHZWOWLXPAJFE-NSHDSACASA-N 0 0 239.746 3.548 20 0 BHADRN CCc1ccc(NCc2cccnc2C)cc1C ZINC000381396720 345798864 /nfs/dbraw/zinc/79/88/64/345798864.db2.gz VVUSDVCJRLIIHQ-UHFFFAOYSA-N 0 0 240.350 3.873 20 0 BHADRN COc1cc(Cl)c(NCCCCF)cc1C ZINC000381398658 710631358 /nfs/dbraw/zinc/63/13/58/710631358.db2.gz QHJWMHAHWMANRF-UHFFFAOYSA-N 0 0 245.725 3.819 20 0 BHADRN COc1cc(Cl)c(NCC2(F)CC2)cc1C ZINC000381399332 710633429 /nfs/dbraw/zinc/63/34/29/710633429.db2.gz QLZPCBNYVUWPGZ-UHFFFAOYSA-N 0 0 243.709 3.571 20 0 BHADRN Cc1cc(CNc2ncccc2Cl)cs1 ZINC000381402233 345803832 /nfs/dbraw/zinc/80/38/32/345803832.db2.gz PYNPJRABWHBVKL-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CC1(CNc2cccc3cc[nH]c32)CCC1 ZINC000381403819 538999621 /nfs/dbraw/zinc/99/96/21/538999621.db2.gz QSFVUVDGNPSVSK-UHFFFAOYSA-N 0 0 214.312 3.770 20 0 BHADRN CCC1CC(Nc2ccc3scnc3c2)C1 ZINC000381404491 345805552 /nfs/dbraw/zinc/80/55/52/345805552.db2.gz SCFXHLNFBMRLPT-UHFFFAOYSA-N 0 0 232.352 3.897 20 0 BHADRN CCCC[C@@H](C)Nc1cccc2c1CCO2 ZINC000381404966 345806248 /nfs/dbraw/zinc/80/62/48/345806248.db2.gz SEAKGIBOUYPCCC-LLVKDONJSA-N 0 0 219.328 3.612 20 0 BHADRN CCCC[C@H](C)Nc1cccc2c1CCO2 ZINC000381404967 345806177 /nfs/dbraw/zinc/80/61/77/345806177.db2.gz SEAKGIBOUYPCCC-NSHDSACASA-N 0 0 219.328 3.612 20 0 BHADRN CC(C)(Nc1nc2ccccc2s1)C(F)F ZINC000381406792 539000415 /nfs/dbraw/zinc/00/04/15/539000415.db2.gz RRAQPDWNCFXJAH-UHFFFAOYSA-N 0 0 242.294 3.752 20 0 BHADRN COc1c(C)ccc(NCCC2CC2)c1C ZINC000381407286 539000102 /nfs/dbraw/zinc/00/01/02/539000102.db2.gz SULDPHWROIEXTK-UHFFFAOYSA-N 0 0 219.328 3.524 20 0 BHADRN COc1cc(C)cc(NCC=C(C)C)c1C ZINC000381408606 345808204 /nfs/dbraw/zinc/80/82/04/345808204.db2.gz TWYZRLVAHZPGFH-UHFFFAOYSA-N 0 0 219.328 3.690 20 0 BHADRN CCCCCNc1cc(F)c(OC)c(F)c1 ZINC000381411316 710634503 /nfs/dbraw/zinc/63/45/03/710634503.db2.gz UPCSMRZJJPRLLT-UHFFFAOYSA-N 0 0 229.270 3.576 20 0 BHADRN CCOc1cc(Cl)ccc1NCC1(F)CC1 ZINC000381412503 398343217 /nfs/dbraw/zinc/34/32/17/398343217.db2.gz UZFZBTWZBGACJQ-UHFFFAOYSA-N 0 0 243.709 3.653 20 0 BHADRN CCOc1cc(Cl)ccc1NCCCCF ZINC000381416940 367398413 /nfs/dbraw/zinc/39/84/13/367398413.db2.gz WJJPKLQAYXJTRN-UHFFFAOYSA-N 0 0 245.725 3.900 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cc(C)ccc1OC ZINC000381417696 345838930 /nfs/dbraw/zinc/83/89/30/345838930.db2.gz WOAZSYBFMDUGCG-NEPJUHHUSA-N 0 0 219.328 3.604 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1cc(C)ccc1OC ZINC000381417698 345838978 /nfs/dbraw/zinc/83/89/78/345838978.db2.gz WOAZSYBFMDUGCG-NWDGAFQWSA-N 0 0 219.328 3.604 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1cc(C)ccc1OC ZINC000381417699 345839061 /nfs/dbraw/zinc/83/90/61/345839061.db2.gz WOAZSYBFMDUGCG-RYUDHWBXSA-N 0 0 219.328 3.604 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cc(C)ccc1OC ZINC000381417701 345838973 /nfs/dbraw/zinc/83/89/73/345838973.db2.gz WOAZSYBFMDUGCG-VXGBXAGGSA-N 0 0 219.328 3.604 20 0 BHADRN CC[C@@H](C)CNc1cc(F)c(OC)cc1C ZINC000381420590 710635385 /nfs/dbraw/zinc/63/53/85/710635385.db2.gz XGKVHSVFXOAQIZ-SECBINFHSA-N 0 0 225.307 3.601 20 0 BHADRN CC[C@H](C)CNc1cc(F)c(OC)cc1C ZINC000381420591 710635375 /nfs/dbraw/zinc/63/53/75/710635375.db2.gz XGKVHSVFXOAQIZ-VIFPVBQESA-N 0 0 225.307 3.601 20 0 BHADRN COc1cc(SC)ccc1N[C@@H](C)C(C)C ZINC000381424624 345851092 /nfs/dbraw/zinc/85/10/92/345851092.db2.gz YIQVWCRBNCKLQD-JTQLQIEISA-N 0 0 239.384 3.874 20 0 BHADRN COc1cc(SC)ccc1N[C@H](C)C(C)C ZINC000381424625 345851350 /nfs/dbraw/zinc/85/13/50/345851350.db2.gz YIQVWCRBNCKLQD-SNVBAGLBSA-N 0 0 239.384 3.874 20 0 BHADRN COc1cc(Cl)ccc1NCc1ccoc1 ZINC000381425134 710635729 /nfs/dbraw/zinc/63/57/29/710635729.db2.gz YLBMAPWUVRJBCS-UHFFFAOYSA-N 0 0 237.686 3.554 20 0 BHADRN CCCCc1ccc(NCc2cc(C)no2)cc1 ZINC000381426603 374118193 /nfs/dbraw/zinc/11/81/93/374118193.db2.gz DZIGYYOQPXOUDF-UHFFFAOYSA-N 0 0 244.338 3.938 20 0 BHADRN C[C@H](N[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000381433261 539000540 /nfs/dbraw/zinc/00/05/40/539000540.db2.gz BYPWUWBJNHAEAZ-CMPLNLGQSA-N 0 0 225.282 3.525 20 0 BHADRN C[C@H](N[C@H]1CCCC1(F)F)c1ccccc1 ZINC000381433262 539000636 /nfs/dbraw/zinc/00/06/36/539000636.db2.gz BYPWUWBJNHAEAZ-JQWIXIFHSA-N 0 0 225.282 3.525 20 0 BHADRN C[C@@H](N[C@H]1CCCC1(F)F)c1ccccc1 ZINC000381433263 539000617 /nfs/dbraw/zinc/00/06/17/539000617.db2.gz BYPWUWBJNHAEAZ-PWSUYJOCSA-N 0 0 225.282 3.525 20 0 BHADRN C[C@@H](N[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000381433269 539000867 /nfs/dbraw/zinc/00/08/67/539000867.db2.gz BYPWUWBJNHAEAZ-ZYHUDNBSSA-N 0 0 225.282 3.525 20 0 BHADRN CCOc1ccc(NCC2(F)CC2)cc1Cl ZINC000381437068 710636360 /nfs/dbraw/zinc/63/63/60/710636360.db2.gz DAAOHYQGWDZTSK-UHFFFAOYSA-N 0 0 243.709 3.653 20 0 BHADRN CCc1onc(C)c1NCc1ccc(C)s1 ZINC000381440812 710636703 /nfs/dbraw/zinc/63/67/03/710636703.db2.gz DYWFLNAZZZDZMB-UHFFFAOYSA-N 0 0 236.340 3.527 20 0 BHADRN CCOc1ccc(NCC2(C)CC2)c(C)c1 ZINC000381447666 710637759 /nfs/dbraw/zinc/63/77/59/710637759.db2.gz GHEKFCGUUYFWTG-UHFFFAOYSA-N 0 0 219.328 3.606 20 0 BHADRN CC[C@H](N[C@H](C)C1CCCCC1)C(F)(F)F ZINC000381448727 367406500 /nfs/dbraw/zinc/40/65/00/367406500.db2.gz GRDDVOHBYRGUDJ-KOLCDFICSA-N 0 0 237.309 3.886 20 0 BHADRN CC[C@H](N[C@@H](C)C1CCCCC1)C(F)(F)F ZINC000381448728 367405870 /nfs/dbraw/zinc/40/58/70/367405870.db2.gz GRDDVOHBYRGUDJ-ONGXEEELSA-N 0 0 237.309 3.886 20 0 BHADRN c1cc(C2CCC2)ccc1N[C@H]1CCSC1 ZINC000381449024 367405767 /nfs/dbraw/zinc/40/57/67/367405767.db2.gz GKNJDWQFRLLHPR-AWEZNQCLSA-N 0 0 233.380 3.872 20 0 BHADRN c1cc(C2CCC2)ccc1N[C@@H]1CCSC1 ZINC000381449049 345923348 /nfs/dbraw/zinc/92/33/48/345923348.db2.gz GKNJDWQFRLLHPR-CQSZACIVSA-N 0 0 233.380 3.872 20 0 BHADRN CC(C)c1cnc(N[C@@H]2CCC(F)(F)C2)s1 ZINC000381454948 538110582 /nfs/dbraw/zinc/11/05/82/538110582.db2.gz IAEBHMUFKJYFAI-MRVPVSSYSA-N 0 0 246.326 3.866 20 0 BHADRN CC(C)c1cnc(N[C@H]2CCC(F)(F)C2)s1 ZINC000381454950 539001263 /nfs/dbraw/zinc/00/12/63/539001263.db2.gz IAEBHMUFKJYFAI-QMMMGPOBSA-N 0 0 246.326 3.866 20 0 BHADRN Fc1ccc(F)c(OC[C@H]2CCCC2(F)F)c1 ZINC000381457925 367409104 /nfs/dbraw/zinc/40/91/04/367409104.db2.gz AAHCTUHAZGPQOE-MRVPVSSYSA-N 0 0 248.219 3.779 20 0 BHADRN Fc1ccc(F)c(OC[C@@H]2CCCC2(F)F)c1 ZINC000381457929 367408816 /nfs/dbraw/zinc/40/88/16/367408816.db2.gz AAHCTUHAZGPQOE-QMMMGPOBSA-N 0 0 248.219 3.779 20 0 BHADRN CCOc1ccc(NCC2(C)CC2)cc1Cl ZINC000381460748 711820487 /nfs/dbraw/zinc/82/04/87/711820487.db2.gz KYDKNJCSFAZDMS-UHFFFAOYSA-N 0 0 239.746 3.951 20 0 BHADRN CCSCCNc1cccc(C(C)(F)F)c1 ZINC000381460839 367408894 /nfs/dbraw/zinc/40/88/94/367408894.db2.gz LAEMCRUNDBECJZ-UHFFFAOYSA-N 0 0 245.338 3.963 20 0 BHADRN CC(C)[C@H](NC[C@H]1CC=CCC1)C(F)(F)F ZINC000381463327 367410556 /nfs/dbraw/zinc/41/05/56/367410556.db2.gz KIJHIPYTCINWFQ-QWRGUYRKSA-N 0 0 235.293 3.519 20 0 BHADRN C[C@H]1CC[C@@H](Nc2cccc3cc[nH]c32)C1 ZINC000381464706 345968350 /nfs/dbraw/zinc/96/83/50/345968350.db2.gz MGPBYCBHCYWOCS-CMPLNLGQSA-N 0 0 214.312 3.768 20 0 BHADRN C[C@H]1CC[C@H](Nc2cccc3cc[nH]c32)C1 ZINC000381464707 345968365 /nfs/dbraw/zinc/96/83/65/345968365.db2.gz MGPBYCBHCYWOCS-JQWIXIFHSA-N 0 0 214.312 3.768 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cccc3cc[nH]c32)C1 ZINC000381464708 345968153 /nfs/dbraw/zinc/96/81/53/345968153.db2.gz MGPBYCBHCYWOCS-PWSUYJOCSA-N 0 0 214.312 3.768 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cccc3cc[nH]c32)C1 ZINC000381464709 345968141 /nfs/dbraw/zinc/96/81/41/345968141.db2.gz MGPBYCBHCYWOCS-ZYHUDNBSSA-N 0 0 214.312 3.768 20 0 BHADRN CC(C)C[C@H](C)C[C@@H](C)N[C@@H](C)C(F)(F)F ZINC000381465667 367410974 /nfs/dbraw/zinc/41/09/74/367410974.db2.gz LBZOAWSNZRNWKL-AXFHLTTASA-N 0 0 239.325 3.988 20 0 BHADRN CC(C)C[C@H](C)C[C@H](C)N[C@@H](C)C(F)(F)F ZINC000381465669 367410577 /nfs/dbraw/zinc/41/05/77/367410577.db2.gz LBZOAWSNZRNWKL-DCAQKATOSA-N 0 0 239.325 3.988 20 0 BHADRN CC(C)C[C@H](C)C[C@H](C)N[C@H](C)C(F)(F)F ZINC000381465671 367410603 /nfs/dbraw/zinc/41/06/03/367410603.db2.gz LBZOAWSNZRNWKL-GARJFASQSA-N 0 0 239.325 3.988 20 0 BHADRN CC(C)C[C@H](C)C[C@@H](C)N[C@H](C)C(F)(F)F ZINC000381465673 367410581 /nfs/dbraw/zinc/41/05/81/367410581.db2.gz LBZOAWSNZRNWKL-HBNTYKKESA-N 0 0 239.325 3.988 20 0 BHADRN COc1ccc(NCC2(C)CCC2)c(C)c1 ZINC000381465767 710641823 /nfs/dbraw/zinc/64/18/23/710641823.db2.gz LDRLJYLPTUEXHX-UHFFFAOYSA-N 0 0 219.328 3.606 20 0 BHADRN CC(C)Oc1ccc(NC[C@@H]2C[C@H]2C)cc1 ZINC000381466284 710641297 /nfs/dbraw/zinc/64/12/97/710641297.db2.gz LFJFUMUHZBYIQY-NEPJUHHUSA-N 0 0 219.328 3.542 20 0 BHADRN CC(C)Oc1ccc(NC[C@H]2C[C@@H]2C)cc1 ZINC000381466285 710641282 /nfs/dbraw/zinc/64/12/82/710641282.db2.gz LFJFUMUHZBYIQY-NWDGAFQWSA-N 0 0 219.328 3.542 20 0 BHADRN CC(C)Oc1ccc(NC[C@@H]2C[C@@H]2C)cc1 ZINC000381466286 710641743 /nfs/dbraw/zinc/64/17/43/710641743.db2.gz LFJFUMUHZBYIQY-RYUDHWBXSA-N 0 0 219.328 3.542 20 0 BHADRN CC(C)Oc1ccc(NC[C@H]2C[C@H]2C)cc1 ZINC000381466287 710641476 /nfs/dbraw/zinc/64/14/76/710641476.db2.gz LFJFUMUHZBYIQY-VXGBXAGGSA-N 0 0 219.328 3.542 20 0 BHADRN CC(C)Nc1ccc(-c2ccco2)cc1F ZINC000381466453 367410585 /nfs/dbraw/zinc/41/05/85/367410585.db2.gz LICLNSDBDMMOSB-UHFFFAOYSA-N 0 0 219.259 3.906 20 0 BHADRN CC1(C)Cc2cccc(NC/C=C\Cl)c2O1 ZINC000381473355 710642168 /nfs/dbraw/zinc/64/21/68/710642168.db2.gz NJGRTBIVIJXVCT-DAXSKMNVSA-N 0 0 237.730 3.565 20 0 BHADRN CC1(C)Cc2cccc(NC/C=C/Cl)c2O1 ZINC000381473356 710642264 /nfs/dbraw/zinc/64/22/64/710642264.db2.gz NJGRTBIVIJXVCT-QPJJXVBHSA-N 0 0 237.730 3.565 20 0 BHADRN Oc1ccccc1SC[C@H]1CCCC1(F)F ZINC000381480577 367416501 /nfs/dbraw/zinc/41/65/01/367416501.db2.gz FIWKKKUMABMFKD-SECBINFHSA-N 0 0 244.306 3.920 20 0 BHADRN Oc1ccccc1SC[C@@H]1CCCC1(F)F ZINC000381480578 367416615 /nfs/dbraw/zinc/41/66/15/367416615.db2.gz FIWKKKUMABMFKD-VIFPVBQESA-N 0 0 244.306 3.920 20 0 BHADRN FC(F)C1(N[C@@H]2C=CCCC2)CCCCC1 ZINC000381483816 367416978 /nfs/dbraw/zinc/41/69/78/367416978.db2.gz GPLRTUAGTXXANP-LLVKDONJSA-N 0 0 229.314 3.653 20 0 BHADRN FC(F)C1(N[C@H]2C=CCCC2)CCCCC1 ZINC000381483817 367416936 /nfs/dbraw/zinc/41/69/36/367416936.db2.gz GPLRTUAGTXXANP-NSHDSACASA-N 0 0 229.314 3.653 20 0 BHADRN Cc1cccc(OC[C@@H]2CCCC2(F)F)c1F ZINC000381488183 346037895 /nfs/dbraw/zinc/03/78/95/346037895.db2.gz GRWUFAFYVRPQPJ-JTQLQIEISA-N 0 0 244.256 3.948 20 0 BHADRN Cc1cccc(OC[C@H]2CCCC2(F)F)c1F ZINC000381488185 346037718 /nfs/dbraw/zinc/03/77/18/346037718.db2.gz GRWUFAFYVRPQPJ-SNVBAGLBSA-N 0 0 244.256 3.948 20 0 BHADRN CC[C@H](N[C@H](C)CC1CCCC1)C(F)(F)F ZINC000381491571 346063875 /nfs/dbraw/zinc/06/38/75/346063875.db2.gz YBZNUHMVPFUBFI-KOLCDFICSA-N 0 0 237.309 3.886 20 0 BHADRN CC[C@H](N[C@@H](C)CC1CCCC1)C(F)(F)F ZINC000381491572 346063641 /nfs/dbraw/zinc/06/36/41/346063641.db2.gz YBZNUHMVPFUBFI-ONGXEEELSA-N 0 0 237.309 3.886 20 0 BHADRN CSc1ccc(NC2CC(C(F)F)C2)cc1 ZINC000381495802 710646304 /nfs/dbraw/zinc/64/63/04/710646304.db2.gz BUTVUYPLDMBHFL-UHFFFAOYSA-N 0 0 243.322 3.864 20 0 BHADRN CCc1ccc(NC[C@@H]2CCSC2)cc1F ZINC000381496636 346134115 /nfs/dbraw/zinc/13/41/15/346134115.db2.gz CBAZRGMSGBDISU-JTQLQIEISA-N 0 0 239.359 3.553 20 0 BHADRN CCc1ccc(NC[C@H]2CCSC2)cc1F ZINC000381496637 346134248 /nfs/dbraw/zinc/13/42/48/346134248.db2.gz CBAZRGMSGBDISU-SNVBAGLBSA-N 0 0 239.359 3.553 20 0 BHADRN FC1(F)CCC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000381496786 367419366 /nfs/dbraw/zinc/41/93/66/367419366.db2.gz BJJVSQUDPADOHV-SECBINFHSA-N 0 0 246.688 3.725 20 0 BHADRN FC1(F)CCC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000381496788 367419239 /nfs/dbraw/zinc/41/92/39/367419239.db2.gz BJJVSQUDPADOHV-VIFPVBQESA-N 0 0 246.688 3.725 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@H]2C2CC2)c(F)c1 ZINC000381496911 539002176 /nfs/dbraw/zinc/00/21/76/539002176.db2.gz BMJJXSMBOUXNLQ-AAEUAGOBSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@@H]2C2CC2)c(F)c1 ZINC000381496917 539002442 /nfs/dbraw/zinc/00/24/42/539002442.db2.gz BMJJXSMBOUXNLQ-DGCLKSJQSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@H]2C2CC2)c(F)c1 ZINC000381497351 539002223 /nfs/dbraw/zinc/00/22/23/539002223.db2.gz BMJJXSMBOUXNLQ-WCQYABFASA-N 0 0 219.303 3.735 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@@H]2C2CC2)c(F)c1 ZINC000381497354 539002420 /nfs/dbraw/zinc/00/24/20/539002420.db2.gz BMJJXSMBOUXNLQ-YPMHNXCESA-N 0 0 219.303 3.735 20 0 BHADRN CCC[C@@H](C)Nc1ncc(Cl)c(C)c1C#N ZINC000381498089 346147780 /nfs/dbraw/zinc/14/77/80/346147780.db2.gz CMVCCZCGKFOARU-MRVPVSSYSA-N 0 0 237.734 3.516 20 0 BHADRN CCC[C@H](C)Nc1ncc(Cl)c(C)c1C#N ZINC000381498090 344513539 /nfs/dbraw/zinc/51/35/39/344513539.db2.gz CMVCCZCGKFOARU-QMMMGPOBSA-N 0 0 237.734 3.516 20 0 BHADRN CC[C@H](NCC(C(C)C)C(C)C)C(F)(F)F ZINC000381498333 346156588 /nfs/dbraw/zinc/15/65/88/346156588.db2.gz BUYGTWFLYBTNJD-NSHDSACASA-N 0 0 239.325 3.845 20 0 BHADRN CCc1ccc(NCC2(F)CC2)cc1CC ZINC000381499862 346163603 /nfs/dbraw/zinc/16/36/03/346163603.db2.gz CZRLBVFNVAYUAQ-UHFFFAOYSA-N 0 0 221.319 3.725 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)COC(C)C)c1 ZINC000381502975 367420413 /nfs/dbraw/zinc/42/04/13/367420413.db2.gz PIMBQIJOIIMEIT-CYBMUJFWSA-N 0 0 221.344 3.529 20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)COC(C)C)c1 ZINC000381503005 367420456 /nfs/dbraw/zinc/42/04/56/367420456.db2.gz PIMBQIJOIIMEIT-ZDUSSCGKSA-N 0 0 221.344 3.529 20 0 BHADRN Fc1ccc(OC[C@H]2CCCC2(F)F)c(F)c1 ZINC000381506203 346198731 /nfs/dbraw/zinc/19/87/31/346198731.db2.gz JZNLUZQMYPAZDI-MRVPVSSYSA-N 0 0 248.219 3.779 20 0 BHADRN Fc1ccc(OC[C@@H]2CCCC2(F)F)c(F)c1 ZINC000381506204 346198443 /nfs/dbraw/zinc/19/84/43/346198443.db2.gz JZNLUZQMYPAZDI-QMMMGPOBSA-N 0 0 248.219 3.779 20 0 BHADRN CCOc1cc(C)ccc1NC[C@H](F)CC ZINC000381506297 367421704 /nfs/dbraw/zinc/42/17/04/367421704.db2.gz KUPWVEARKTUEPF-LLVKDONJSA-N 0 0 225.307 3.554 20 0 BHADRN CCOc1cc(C)ccc1NC[C@@H](F)CC ZINC000381506302 367421644 /nfs/dbraw/zinc/42/16/44/367421644.db2.gz KUPWVEARKTUEPF-NSHDSACASA-N 0 0 225.307 3.554 20 0 BHADRN FC1(F)CCCC[C@@H]1COc1ccccc1 ZINC000381507565 367421396 /nfs/dbraw/zinc/42/13/96/367421396.db2.gz KEVOGEKXPDMFOB-LLVKDONJSA-N 0 0 226.266 3.891 20 0 BHADRN FC1(F)CCCC[C@H]1COc1ccccc1 ZINC000381507566 367421779 /nfs/dbraw/zinc/42/17/79/367421779.db2.gz KEVOGEKXPDMFOB-NSHDSACASA-N 0 0 226.266 3.891 20 0 BHADRN Fc1ccc(N[C@H]2CC[C@H]2C2CCC2)cc1 ZINC000381508295 367421951 /nfs/dbraw/zinc/42/19/51/367421951.db2.gz ULMUUBCUEMDIKO-KBPBESRZSA-N 0 0 219.303 3.816 20 0 BHADRN Fc1ccc(N[C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000381508315 346210060 /nfs/dbraw/zinc/21/00/60/346210060.db2.gz ULMUUBCUEMDIKO-KGLIPLIRSA-N 0 0 219.303 3.816 20 0 BHADRN Fc1ccc(N[C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000381508317 346209935 /nfs/dbraw/zinc/20/99/35/346209935.db2.gz ULMUUBCUEMDIKO-UONOGXRCSA-N 0 0 219.303 3.816 20 0 BHADRN Fc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000381508318 346209709 /nfs/dbraw/zinc/20/97/09/346209709.db2.gz ULMUUBCUEMDIKO-ZIAGYGMSSA-N 0 0 219.303 3.816 20 0 BHADRN Cc1cc(C)c(NCCOC(C)C)c(Cl)c1 ZINC000381508735 539002940 /nfs/dbraw/zinc/00/29/40/539002940.db2.gz QKLYHXAFYFLBAM-UHFFFAOYSA-N 0 0 241.762 3.794 20 0 BHADRN CC[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000381509464 346211579 /nfs/dbraw/zinc/21/15/79/346211579.db2.gz NSVXCZXFUQSCIO-XYPYZODXSA-N 0 0 241.762 3.991 20 0 BHADRN Cc1ccc(F)cc1OC[C@@H]1CCCC1(F)F ZINC000381510097 346212742 /nfs/dbraw/zinc/21/27/42/346212742.db2.gz KQFUHPLZUOBVBT-JTQLQIEISA-N 0 0 244.256 3.948 20 0 BHADRN Cc1ccc(F)cc1OC[C@H]1CCCC1(F)F ZINC000381510099 367421297 /nfs/dbraw/zinc/42/12/97/367421297.db2.gz KQFUHPLZUOBVBT-SNVBAGLBSA-N 0 0 244.256 3.948 20 0 BHADRN c1ccc2sc(N[C@@H]3[C@@H]4CCC[C@@H]43)nc2c1 ZINC000381510541 346214651 /nfs/dbraw/zinc/21/46/51/346214651.db2.gz QXUWWZPGBGOBRF-BZBKMWRSSA-N 0 0 230.336 3.507 20 0 BHADRN C[C@@H](Nc1ccc2ncsc2c1)C1CCC1 ZINC000381511551 367421984 /nfs/dbraw/zinc/42/19/84/367421984.db2.gz RDBHLJOKFYOZQN-SECBINFHSA-N 0 0 232.352 3.897 20 0 BHADRN C[C@H](Nc1ccc2ncsc2c1)C1CCC1 ZINC000381511554 367421439 /nfs/dbraw/zinc/42/14/39/367421439.db2.gz RDBHLJOKFYOZQN-VIFPVBQESA-N 0 0 232.352 3.897 20 0 BHADRN CC(C)CCNc1ccc2ccn(C)c2c1 ZINC000381512875 346219941 /nfs/dbraw/zinc/21/99/41/346219941.db2.gz ROJZKCLUMHXPER-UHFFFAOYSA-N 0 0 216.328 3.636 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000381514782 346225874 /nfs/dbraw/zinc/22/58/74/346225874.db2.gz SAXKDZCOBQFJHS-GHMZBOCLSA-N 0 0 239.746 3.567 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000381514783 346226140 /nfs/dbraw/zinc/22/61/40/346226140.db2.gz SAXKDZCOBQFJHS-MNOVXSKESA-N 0 0 239.746 3.567 20 0 BHADRN C[C@H](Nc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000381514784 346226155 /nfs/dbraw/zinc/22/61/55/346226155.db2.gz SAXKDZCOBQFJHS-QWRGUYRKSA-N 0 0 239.746 3.567 20 0 BHADRN C[C@H](Nc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000381514785 346226118 /nfs/dbraw/zinc/22/61/18/346226118.db2.gz SAXKDZCOBQFJHS-WDEREUQCSA-N 0 0 239.746 3.567 20 0 BHADRN FC1(F)CCC(Nc2cccc(Cl)n2)CC1 ZINC000381514983 710649774 /nfs/dbraw/zinc/64/97/74/710649774.db2.gz ZWQAVBGBUGYKER-UHFFFAOYSA-N 0 0 246.688 3.725 20 0 BHADRN FC1(F)CCC[C@H]1COc1ccccc1 ZINC000381516736 346230972 /nfs/dbraw/zinc/23/09/72/346230972.db2.gz LVCPXNUYNHPRHQ-JTQLQIEISA-N 0 0 212.239 3.501 20 0 BHADRN FC1(F)CCC[C@@H]1COc1ccccc1 ZINC000381516737 346230887 /nfs/dbraw/zinc/23/08/87/346230887.db2.gz LVCPXNUYNHPRHQ-SNVBAGLBSA-N 0 0 212.239 3.501 20 0 BHADRN c1coc(CNc2ccc(C3CC3)cc2)c1 ZINC000381517423 539002906 /nfs/dbraw/zinc/00/29/06/539002906.db2.gz SRHOUCXXOAGTFE-UHFFFAOYSA-N 0 0 213.280 3.769 20 0 BHADRN CC(C)(C)C(C)(C)CNc1cncc(Cl)n1 ZINC000381518231 710650292 /nfs/dbraw/zinc/65/02/92/710650292.db2.gz SWYLYYQCYDHDKZ-UHFFFAOYSA-N 0 0 241.766 3.614 20 0 BHADRN CC(C)[C@@H]1CCC[C@@H](Nc2ccccn2)C1 ZINC000381518384 346236431 /nfs/dbraw/zinc/23/64/31/346236431.db2.gz SXXQGECHYGFDQQ-CHWSQXEVSA-N 0 0 218.344 3.708 20 0 BHADRN CC(C)[C@@H]1CCC[C@H](Nc2ccccn2)C1 ZINC000381518399 367423381 /nfs/dbraw/zinc/42/33/81/367423381.db2.gz SXXQGECHYGFDQQ-OLZOCXBDSA-N 0 0 218.344 3.708 20 0 BHADRN CC(C)[C@H]1CCC[C@@H](Nc2ccccn2)C1 ZINC000381518400 367422673 /nfs/dbraw/zinc/42/26/73/367422673.db2.gz SXXQGECHYGFDQQ-QWHCGFSZSA-N 0 0 218.344 3.708 20 0 BHADRN CC(C)[C@H]1CCC[C@H](Nc2ccccn2)C1 ZINC000381518401 367422765 /nfs/dbraw/zinc/42/27/65/367422765.db2.gz SXXQGECHYGFDQQ-STQMWFEESA-N 0 0 218.344 3.708 20 0 BHADRN Cc1cccc(OC[C@H]2CCCC2(F)F)c1 ZINC000381519670 367423696 /nfs/dbraw/zinc/42/36/96/367423696.db2.gz MKFNFYNYCMXJMW-LLVKDONJSA-N 0 0 226.266 3.809 20 0 BHADRN Cc1cccc(OC[C@@H]2CCCC2(F)F)c1 ZINC000381519671 367423546 /nfs/dbraw/zinc/42/35/46/367423546.db2.gz MKFNFYNYCMXJMW-NSHDSACASA-N 0 0 226.266 3.809 20 0 BHADRN CC(C)c1cnc(NC(C2CC2)C2CC2)s1 ZINC000381520928 346240100 /nfs/dbraw/zinc/24/01/00/346240100.db2.gz UQYJPNYGWLKDJW-UHFFFAOYSA-N 0 0 236.384 3.867 20 0 BHADRN CC(C)C[C@@H](C)C[C@@H](C)NC1(C(F)F)CC1 ZINC000381521188 367424422 /nfs/dbraw/zinc/42/44/22/367424422.db2.gz UUONIMWHKXDHHS-GHMZBOCLSA-N 0 0 233.346 3.835 20 0 BHADRN CCC(=O)c1cccc(NCCC(C)C)c1 ZINC000381525038 346250469 /nfs/dbraw/zinc/25/04/69/346250469.db2.gz WFAXXENSZOIIMO-UHFFFAOYSA-N 0 0 219.328 3.737 20 0 BHADRN c1ncc(CNc2ccc(C3CC3)cc2)s1 ZINC000381525381 539003255 /nfs/dbraw/zinc/00/32/55/539003255.db2.gz WJXRIKPZILSBJN-UHFFFAOYSA-N 0 0 230.336 3.633 20 0 BHADRN CC1([NH2+]Cc2cscc2C(F)(F)F)CCC1 ZINC000381526088 346250459 /nfs/dbraw/zinc/25/04/59/346250459.db2.gz WSOQOHPWWLTBSM-UHFFFAOYSA-N 0 0 249.301 3.799 20 0 BHADRN Cc1cc(NC(C)C)c2cccnc2c1C ZINC000381527671 346255113 /nfs/dbraw/zinc/25/51/13/346255113.db2.gz XMSWDSHJGTZSON-UHFFFAOYSA-N 0 0 214.312 3.672 20 0 BHADRN CC(C)CCNc1cccc2ccn(C)c21 ZINC000381530448 367425977 /nfs/dbraw/zinc/42/59/77/367425977.db2.gz YUHIONVEXBFYQH-UHFFFAOYSA-N 0 0 216.328 3.636 20 0 BHADRN CC(C)Nc1ccc(Cl)cc1OCC(F)F ZINC000381530552 367425803 /nfs/dbraw/zinc/42/58/03/367425803.db2.gz YVIFEMLTSGRRFC-UHFFFAOYSA-N 0 0 249.688 3.804 20 0 BHADRN CCC1CC(Nc2cc(C)ccc2OC)C1 ZINC000381533169 367426358 /nfs/dbraw/zinc/42/63/58/367426358.db2.gz DBPHBBFCDMFIKV-UHFFFAOYSA-N 0 0 219.328 3.604 20 0 BHADRN Cc1cnc(CNc2c(C)cccc2F)s1 ZINC000381533197 710651463 /nfs/dbraw/zinc/65/14/63/710651463.db2.gz DCRSEPZQKGHLBH-UHFFFAOYSA-N 0 0 236.315 3.511 20 0 BHADRN CC[C@@H](Nc1cccc2cc[nH]c21)C1CC1 ZINC000381533572 539003251 /nfs/dbraw/zinc/00/32/51/539003251.db2.gz DFTXCJBGAIQXJQ-GFCCVEGCSA-N 0 0 214.312 3.768 20 0 BHADRN CC[C@H](Nc1cccc2cc[nH]c21)C1CC1 ZINC000381533574 539003362 /nfs/dbraw/zinc/00/33/62/539003362.db2.gz DFTXCJBGAIQXJQ-LBPRGKRZSA-N 0 0 214.312 3.768 20 0 BHADRN CC/C=C/CCNc1ccc(C)cc1OC ZINC000381533951 367425625 /nfs/dbraw/zinc/42/56/25/367425625.db2.gz DLVPILAXYXKAMP-AATRIKPKSA-N 0 0 219.328 3.772 20 0 BHADRN CC/C=C\CCNc1ccc(C)cc1OC ZINC000381533952 367425920 /nfs/dbraw/zinc/42/59/20/367425920.db2.gz DLVPILAXYXKAMP-WAYWQWQTSA-N 0 0 219.328 3.772 20 0 BHADRN Cc1ccc(OC[C@@H]2CCCC2(F)F)cc1F ZINC000381534238 367426382 /nfs/dbraw/zinc/42/63/82/367426382.db2.gz QEWDTKJRNFFTEB-JTQLQIEISA-N 0 0 244.256 3.948 20 0 BHADRN Cc1ccc(OC[C@H]2CCCC2(F)F)cc1F ZINC000381534239 367425654 /nfs/dbraw/zinc/42/56/54/367425654.db2.gz QEWDTKJRNFFTEB-SNVBAGLBSA-N 0 0 244.256 3.948 20 0 BHADRN Cc1ccc(CNC2(C(F)F)CC2)cc1Cl ZINC000381534775 346284146 /nfs/dbraw/zinc/28/41/46/346284146.db2.gz DWDWEQKTXKNKEM-UHFFFAOYSA-N 0 0 245.700 3.536 20 0 BHADRN CSc1ccc(N[C@@H]2CC=C(C)CC2)cn1 ZINC000381536337 344518681 /nfs/dbraw/zinc/51/86/81/344518681.db2.gz FSNWICBPTFYIGZ-LLVKDONJSA-N 0 0 234.368 3.714 20 0 BHADRN CSc1ccc(N[C@H]2CC=C(C)CC2)cn1 ZINC000381536340 344518440 /nfs/dbraw/zinc/51/84/40/344518440.db2.gz FSNWICBPTFYIGZ-NSHDSACASA-N 0 0 234.368 3.714 20 0 BHADRN Fc1ccccc1OC[C@H]1CCCC1(F)F ZINC000381536461 367426132 /nfs/dbraw/zinc/42/61/32/367426132.db2.gz QTHJROKLDJLFDK-SECBINFHSA-N 0 0 230.229 3.640 20 0 BHADRN Fc1ccccc1OC[C@@H]1CCCC1(F)F ZINC000381536462 367425956 /nfs/dbraw/zinc/42/59/56/367425956.db2.gz QTHJROKLDJLFDK-VIFPVBQESA-N 0 0 230.229 3.640 20 0 BHADRN CCn1cc(N[C@@H](C)[C@@H]2CC3CCC2CC3)cn1 ZINC000381536730 398262455 /nfs/dbraw/zinc/26/24/55/398262455.db2.gz QUARZNRWOQDOPT-CLTVBZQCSA-N 0 0 247.386 3.530 20 0 BHADRN CCn1cc(N[C@@H](C)[C@H]2CC3CCC2CC3)cn1 ZINC000381536733 398262449 /nfs/dbraw/zinc/26/24/49/398262449.db2.gz QUARZNRWOQDOPT-LFUGVXIPSA-N 0 0 247.386 3.530 20 0 BHADRN CCn1cc(N[C@H](C)[C@@H]2CC3CCC2CC3)cn1 ZINC000381536736 398262700 /nfs/dbraw/zinc/26/27/00/398262700.db2.gz QUARZNRWOQDOPT-LPXQKFACSA-N 0 0 247.386 3.530 20 0 BHADRN CCn1cc(N[C@H](C)[C@H]2CC3CCC2CC3)cn1 ZINC000381536737 398262533 /nfs/dbraw/zinc/26/25/33/398262533.db2.gz QUARZNRWOQDOPT-XZNOPERXSA-N 0 0 247.386 3.530 20 0 BHADRN Cc1cc(Cl)ccc1CNC(C)(C)C(F)F ZINC000381537258 539003344 /nfs/dbraw/zinc/00/33/44/539003344.db2.gz GCVPMBZFNYWWKB-UHFFFAOYSA-N 0 0 247.716 3.782 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1cccc2cc[nH]c21 ZINC000381538990 367427264 /nfs/dbraw/zinc/42/72/64/367427264.db2.gz GXGLYXUMOBFPGX-CMPLNLGQSA-N 0 0 214.312 3.768 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1cccc2cc[nH]c21 ZINC000381538992 367427421 /nfs/dbraw/zinc/42/74/21/367427421.db2.gz GXGLYXUMOBFPGX-JQWIXIFHSA-N 0 0 214.312 3.768 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cccc2cc[nH]c21 ZINC000381538994 367427251 /nfs/dbraw/zinc/42/72/51/367427251.db2.gz GXGLYXUMOBFPGX-PWSUYJOCSA-N 0 0 214.312 3.768 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cccc2cc[nH]c21 ZINC000381538996 367427850 /nfs/dbraw/zinc/42/78/50/367427850.db2.gz GXGLYXUMOBFPGX-ZYHUDNBSSA-N 0 0 214.312 3.768 20 0 BHADRN Fc1cccc(OC[C@H]2CCCC2(F)F)c1 ZINC000381539133 346298463 /nfs/dbraw/zinc/29/84/63/346298463.db2.gz RJZLXAGTYAPTGT-SECBINFHSA-N 0 0 230.229 3.640 20 0 BHADRN Fc1cccc(OC[C@@H]2CCCC2(F)F)c1 ZINC000381539134 346298408 /nfs/dbraw/zinc/29/84/08/346298408.db2.gz RJZLXAGTYAPTGT-VIFPVBQESA-N 0 0 230.229 3.640 20 0 BHADRN Cc1nc(Cl)cc(NC(C)(C)C(C)(C)C)n1 ZINC000381539416 710652665 /nfs/dbraw/zinc/65/26/65/710652665.db2.gz IAKBVZVZVPNQLF-UHFFFAOYSA-N 0 0 241.766 3.675 20 0 BHADRN CC/C=C\CCNc1cccc2cc[nH]c21 ZINC000381539432 367427715 /nfs/dbraw/zinc/42/77/15/367427715.db2.gz HABLQSXBZRGKOB-ARJAWSKDSA-N 0 0 214.312 3.936 20 0 BHADRN CC/C=C/CCNc1cccc2cc[nH]c21 ZINC000381539433 367427738 /nfs/dbraw/zinc/42/77/38/367427738.db2.gz HABLQSXBZRGKOB-ONEGZZNKSA-N 0 0 214.312 3.936 20 0 BHADRN CC/C=C\CCNc1ccc(F)c(OC)c1 ZINC000381539448 346299521 /nfs/dbraw/zinc/29/95/21/346299521.db2.gz HALYDVVIRTZJTQ-PLNGDYQASA-N 0 0 223.291 3.603 20 0 BHADRN CC/C=C/CCNc1ccc(F)c(OC)c1 ZINC000381539449 346299492 /nfs/dbraw/zinc/29/94/92/346299492.db2.gz HALYDVVIRTZJTQ-SNAWJCMRSA-N 0 0 223.291 3.603 20 0 BHADRN COc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)cc1Cl ZINC000381540763 710652605 /nfs/dbraw/zinc/65/26/05/710652605.db2.gz IMGTYJXLCPLTBU-HOTUBEGUSA-N 0 0 239.746 3.805 20 0 BHADRN COc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)cc1Cl ZINC000381540767 710652803 /nfs/dbraw/zinc/65/28/03/710652803.db2.gz IMGTYJXLCPLTBU-KBVBSXBZSA-N 0 0 239.746 3.805 20 0 BHADRN COc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)cc1Cl ZINC000381540772 710652791 /nfs/dbraw/zinc/65/27/91/710652791.db2.gz IMGTYJXLCPLTBU-VDDIYKPWSA-N 0 0 239.746 3.805 20 0 BHADRN COc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)cc1Cl ZINC000381540777 710652446 /nfs/dbraw/zinc/65/24/46/710652446.db2.gz IMGTYJXLCPLTBU-YGOYTEALSA-N 0 0 239.746 3.805 20 0 BHADRN CC/C=C/CCNc1c(C)cccc1OC ZINC000381542362 367427630 /nfs/dbraw/zinc/42/76/30/367427630.db2.gz IOASYQQICQDYAM-AATRIKPKSA-N 0 0 219.328 3.772 20 0 BHADRN CC/C=C\CCNc1c(C)cccc1OC ZINC000381542363 367427450 /nfs/dbraw/zinc/42/74/50/367427450.db2.gz IOASYQQICQDYAM-WAYWQWQTSA-N 0 0 219.328 3.772 20 0 BHADRN COc1cc(C)c(NC2CCCC2)cc1C ZINC000381543055 710652671 /nfs/dbraw/zinc/65/26/71/710652671.db2.gz IWALHGHRDYQPMJ-UHFFFAOYSA-N 0 0 219.328 3.667 20 0 BHADRN Oc1ccc(SC[C@H]2CCCC2(F)F)cc1 ZINC000381543664 367427092 /nfs/dbraw/zinc/42/70/92/367427092.db2.gz SISRACUXOANSAL-SECBINFHSA-N 0 0 244.306 3.920 20 0 BHADRN Oc1ccc(SC[C@@H]2CCCC2(F)F)cc1 ZINC000381543665 367427560 /nfs/dbraw/zinc/42/75/60/367427560.db2.gz SISRACUXOANSAL-VIFPVBQESA-N 0 0 244.306 3.920 20 0 BHADRN Cc1cc(NC2CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000381544464 710653951 /nfs/dbraw/zinc/65/39/51/710653951.db2.gz JNAYBCNYWZMRDI-UHFFFAOYSA-N 0 0 240.690 3.521 20 0 BHADRN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000381544713 344518122 /nfs/dbraw/zinc/51/81/22/344518122.db2.gz JQHGLHWOGVZXAN-KYZUINATSA-N 0 0 240.328 3.647 20 0 BHADRN Fc1ccc(OC[C@H]2CCCC2(F)F)cc1 ZINC000381545289 367427222 /nfs/dbraw/zinc/42/72/22/367427222.db2.gz SQMKQMXDHOWXSZ-SECBINFHSA-N 0 0 230.229 3.640 20 0 BHADRN Fc1ccc(OC[C@@H]2CCCC2(F)F)cc1 ZINC000381545291 367427119 /nfs/dbraw/zinc/42/71/19/367427119.db2.gz SQMKQMXDHOWXSZ-VIFPVBQESA-N 0 0 230.229 3.640 20 0 BHADRN Cc1cccc(NC2CC(C(F)F)C2)c1F ZINC000381545897 539003853 /nfs/dbraw/zinc/00/38/53/539003853.db2.gz KFWQSPCMTDTEFS-UHFFFAOYSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(NCCCOC(C)(C)C)cc1 ZINC000381548568 539003838 /nfs/dbraw/zinc/00/38/38/539003838.db2.gz LLUDTBJDLPKHCP-UHFFFAOYSA-N 0 0 221.344 3.612 20 0 BHADRN CC[C@H](COC)Nc1cccc2ccsc21 ZINC000381548649 367428886 /nfs/dbraw/zinc/42/88/86/367428886.db2.gz LNNCUEHROUZDJG-LLVKDONJSA-N 0 0 235.352 3.738 20 0 BHADRN CC[C@@H](COC)Nc1cccc2ccsc21 ZINC000381548650 367428739 /nfs/dbraw/zinc/42/87/39/367428739.db2.gz LNNCUEHROUZDJG-NSHDSACASA-N 0 0 235.352 3.738 20 0 BHADRN CC/C=C/CCN[C@@H](C(C)(C)C)C(F)(F)F ZINC000381549509 346329089 /nfs/dbraw/zinc/32/90/89/346329089.db2.gz LYXYHYBJVVBEAH-FGEFZZPRSA-N 0 0 237.309 3.909 20 0 BHADRN CC/C=C\CCN[C@@H](C(C)(C)C)C(F)(F)F ZINC000381549511 346328941 /nfs/dbraw/zinc/32/89/41/346328941.db2.gz LYXYHYBJVVBEAH-GFVADAIESA-N 0 0 237.309 3.909 20 0 BHADRN CC/C=C\CCN[C@H](C(C)(C)C)C(F)(F)F ZINC000381549512 346328959 /nfs/dbraw/zinc/32/89/59/346328959.db2.gz LYXYHYBJVVBEAH-JYESYGNLSA-N 0 0 237.309 3.909 20 0 BHADRN CC/C=C/CCN[C@H](C(C)(C)C)C(F)(F)F ZINC000381549514 346329301 /nfs/dbraw/zinc/32/93/01/346329301.db2.gz LYXYHYBJVVBEAH-VQCYPWCPSA-N 0 0 237.309 3.909 20 0 BHADRN Cc1cccc(N[C@H]2CC[C@@H]2C2CCC2)c1 ZINC000381550614 367428664 /nfs/dbraw/zinc/42/86/64/367428664.db2.gz MPTLVWNNDHXUQV-CABCVRRESA-N 0 0 215.340 3.986 20 0 BHADRN Cc1cccc(N[C@H]2CC[C@H]2C2CCC2)c1 ZINC000381550616 367428511 /nfs/dbraw/zinc/42/85/11/367428511.db2.gz MPTLVWNNDHXUQV-GJZGRUSLSA-N 0 0 215.340 3.986 20 0 BHADRN Cc1cccc(N[C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000381550617 367428551 /nfs/dbraw/zinc/42/85/51/367428551.db2.gz MPTLVWNNDHXUQV-HUUCEWRRSA-N 0 0 215.340 3.986 20 0 BHADRN Cc1cccc(N[C@@H]2CC[C@H]2C2CCC2)c1 ZINC000381550618 367428382 /nfs/dbraw/zinc/42/83/82/367428382.db2.gz MPTLVWNNDHXUQV-LSDHHAIUSA-N 0 0 215.340 3.986 20 0 BHADRN FC(F)Sc1cccc(NCC2(F)CC2)c1 ZINC000381550735 710653927 /nfs/dbraw/zinc/65/39/27/710653927.db2.gz ABPQAOHTARRLCW-UHFFFAOYSA-N 0 0 247.285 3.915 20 0 BHADRN Cc1cc(CNC2(C(F)F)CC2)ccc1Cl ZINC000381552166 367429471 /nfs/dbraw/zinc/42/94/71/367429471.db2.gz NCZVEBCROYIJAN-UHFFFAOYSA-N 0 0 245.700 3.536 20 0 BHADRN Cc1cc(NCCCCCO)cc(C)c1Cl ZINC000381552719 346332919 /nfs/dbraw/zinc/33/29/19/346332919.db2.gz NKGXYLBLRAYYEA-UHFFFAOYSA-N 0 0 241.762 3.531 20 0 BHADRN Cc1cc(F)ccc1OC[C@@H]1CCCC1(F)F ZINC000381554231 367430361 /nfs/dbraw/zinc/43/03/61/367430361.db2.gz VEFRQWWLPWXFOU-JTQLQIEISA-N 0 0 244.256 3.948 20 0 BHADRN Cc1cc(F)ccc1OC[C@H]1CCCC1(F)F ZINC000381554232 367430117 /nfs/dbraw/zinc/43/01/17/367430117.db2.gz VEFRQWWLPWXFOU-SNVBAGLBSA-N 0 0 244.256 3.948 20 0 BHADRN COc1ccc(C)cc1NC1CC(C)(C)C1 ZINC000381558130 367430341 /nfs/dbraw/zinc/43/03/41/367430341.db2.gz PZXCACQYJCZFCY-UHFFFAOYSA-N 0 0 219.328 3.604 20 0 BHADRN CCCCNc1ccc(F)cc1OC(F)F ZINC000381558750 367429733 /nfs/dbraw/zinc/42/97/33/367429733.db2.gz QFLJIBDNUFLTCJ-UHFFFAOYSA-N 0 0 233.233 3.639 20 0 BHADRN CC[C@H](F)CN[C@H](C)c1ccc(F)cc1Cl ZINC000381561007 346352836 /nfs/dbraw/zinc/35/28/36/346352836.db2.gz RFSWRGCUNSVGPO-BDAKNGLRSA-N 0 0 247.716 3.878 20 0 BHADRN CC[C@@H](F)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000381561008 346352701 /nfs/dbraw/zinc/35/27/01/346352701.db2.gz RFSWRGCUNSVGPO-DTWKUNHWSA-N 0 0 247.716 3.878 20 0 BHADRN CC[C@H](F)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000381561009 346352819 /nfs/dbraw/zinc/35/28/19/346352819.db2.gz RFSWRGCUNSVGPO-IUCAKERBSA-N 0 0 247.716 3.878 20 0 BHADRN CC[C@@H](F)CN[C@H](C)c1ccc(F)cc1Cl ZINC000381561010 346352825 /nfs/dbraw/zinc/35/28/25/346352825.db2.gz RFSWRGCUNSVGPO-RKDXNWHRSA-N 0 0 247.716 3.878 20 0 BHADRN CCc1c(NC(C)C)cnn1C(CC)CC ZINC000381561459 367430642 /nfs/dbraw/zinc/43/06/42/367430642.db2.gz RKWZZZAAQLUMDM-UHFFFAOYSA-N 0 0 223.364 3.627 20 0 BHADRN CC[C@@H](C)NCC(F)(F)c1ccc(Cl)cc1 ZINC000381561856 367431403 /nfs/dbraw/zinc/43/14/03/367431403.db2.gz RNWRKWLQIDUXAU-SECBINFHSA-N 0 0 247.716 3.820 20 0 BHADRN CC[C@H](C)NCC(F)(F)c1ccc(Cl)cc1 ZINC000381561857 367431256 /nfs/dbraw/zinc/43/12/56/367431256.db2.gz RNWRKWLQIDUXAU-VIFPVBQESA-N 0 0 247.716 3.820 20 0 BHADRN Cc1ccc(F)cc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000381561979 539003888 /nfs/dbraw/zinc/00/38/88/539003888.db2.gz RREOSVIVDZUWOA-CHWSQXEVSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1ccc(F)cc1N[C@H]1CC[C@@H]1C1CC1 ZINC000381561982 539003891 /nfs/dbraw/zinc/00/38/91/539003891.db2.gz RREOSVIVDZUWOA-OLZOCXBDSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1ccc(F)cc1N[C@@H]1CC[C@H]1C1CC1 ZINC000381561983 539003850 /nfs/dbraw/zinc/00/38/50/539003850.db2.gz RREOSVIVDZUWOA-QWHCGFSZSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1ccc(F)cc1N[C@H]1CC[C@H]1C1CC1 ZINC000381561984 539003763 /nfs/dbraw/zinc/00/37/63/539003763.db2.gz RREOSVIVDZUWOA-STQMWFEESA-N 0 0 219.303 3.735 20 0 BHADRN CSc1ccc(CNC(C)(C)C(F)F)cc1 ZINC000381562544 632870972 /nfs/dbraw/zinc/87/09/72/632870972.db2.gz RUZIZTGOHQHMPT-UHFFFAOYSA-N 0 0 245.338 3.542 20 0 BHADRN CC[C@@H](C)n1ncc(N[C@H](C)C(C)C)c1C ZINC000381564590 346359918 /nfs/dbraw/zinc/35/99/18/346359918.db2.gz SSXNDWPGMAXGDP-GHMZBOCLSA-N 0 0 223.364 3.619 20 0 BHADRN CC[C@@H](C)n1ncc(N[C@@H](C)C(C)C)c1C ZINC000381564591 346359806 /nfs/dbraw/zinc/35/98/06/346359806.db2.gz SSXNDWPGMAXGDP-MNOVXSKESA-N 0 0 223.364 3.619 20 0 BHADRN CC[C@H](C)n1ncc(N[C@@H](C)C(C)C)c1C ZINC000381564592 346359815 /nfs/dbraw/zinc/35/98/15/346359815.db2.gz SSXNDWPGMAXGDP-QWRGUYRKSA-N 0 0 223.364 3.619 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H](C)C(C)C)c1C ZINC000381564593 346359811 /nfs/dbraw/zinc/35/98/11/346359811.db2.gz SSXNDWPGMAXGDP-WDEREUQCSA-N 0 0 223.364 3.619 20 0 BHADRN CCc1ccccc1N[C@@H]1CC[C@H]1C1CC1 ZINC000381565511 539003492 /nfs/dbraw/zinc/00/34/92/539003492.db2.gz UBSJAGGYUBEOFP-DZGCQCFKSA-N 0 0 215.340 3.850 20 0 BHADRN CCc1ccccc1N[C@H]1CC[C@@H]1C1CC1 ZINC000381565512 539003752 /nfs/dbraw/zinc/00/37/52/539003752.db2.gz UBSJAGGYUBEOFP-HIFRSBDPSA-N 0 0 215.340 3.850 20 0 BHADRN CCc1ccccc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000381565513 539003707 /nfs/dbraw/zinc/00/37/07/539003707.db2.gz UBSJAGGYUBEOFP-UKRRQHHQSA-N 0 0 215.340 3.850 20 0 BHADRN CCc1ccccc1N[C@H]1CC[C@H]1C1CC1 ZINC000381565515 539003653 /nfs/dbraw/zinc/00/36/53/539003653.db2.gz UBSJAGGYUBEOFP-ZFWWWQNUSA-N 0 0 215.340 3.850 20 0 BHADRN O=[N+]([O-])c1ccc(NCC2CCCCC2)s1 ZINC000381565526 344520328 /nfs/dbraw/zinc/52/03/28/344520328.db2.gz UCHJMWKAHLSCFK-UHFFFAOYSA-N 0 0 240.328 3.649 20 0 BHADRN Cc1ccc(Cl)c(NCC2CC(F)(F)C2)n1 ZINC000381566104 710657388 /nfs/dbraw/zinc/65/73/88/710657388.db2.gz UKMLWMMKZXNBNY-UHFFFAOYSA-N 0 0 246.688 3.501 20 0 BHADRN CSc1cccc(NCc2ccoc2)c1C ZINC000381567039 710657353 /nfs/dbraw/zinc/65/73/53/710657353.db2.gz VANPLZCNNNIXCJ-UHFFFAOYSA-N 0 0 233.336 3.922 20 0 BHADRN Cc1ccc(NC2CC(C(F)F)C2)cc1C ZINC000381567145 710657378 /nfs/dbraw/zinc/65/73/78/710657378.db2.gz VCQAWDFNSXPYBF-UHFFFAOYSA-N 0 0 225.282 3.759 20 0 BHADRN CCCC1CCC(N[C@H](C)C(F)(F)F)CC1 ZINC000381567503 346366697 /nfs/dbraw/zinc/36/66/97/346366697.db2.gz VHMAAPIYAJQYRW-KPPDAEKUSA-N 0 0 237.309 3.886 20 0 BHADRN CCCC1CCC(N[C@@H](C)C(F)(F)F)CC1 ZINC000381567504 346366191 /nfs/dbraw/zinc/36/61/91/346366191.db2.gz VHMAAPIYAJQYRW-WHXUTIOJSA-N 0 0 237.309 3.886 20 0 BHADRN Cc1ccc(NC2CC(C(F)F)C2)c(C)c1 ZINC000381568240 710657432 /nfs/dbraw/zinc/65/74/32/710657432.db2.gz VPZWQJLLAIMSRX-UHFFFAOYSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccccc1N[C@@H]1CC[C@H]1C1CCC1 ZINC000381570028 346372264 /nfs/dbraw/zinc/37/22/64/346372264.db2.gz WRDKNXJMLNPEBU-DZGCQCFKSA-N 0 0 215.340 3.986 20 0 BHADRN Cc1ccccc1N[C@H]1CC[C@@H]1C1CCC1 ZINC000381570029 346372278 /nfs/dbraw/zinc/37/22/78/346372278.db2.gz WRDKNXJMLNPEBU-HIFRSBDPSA-N 0 0 215.340 3.986 20 0 BHADRN Cc1ccccc1N[C@@H]1CC[C@@H]1C1CCC1 ZINC000381570030 346372062 /nfs/dbraw/zinc/37/20/62/346372062.db2.gz WRDKNXJMLNPEBU-UKRRQHHQSA-N 0 0 215.340 3.986 20 0 BHADRN Cc1ccccc1N[C@H]1CC[C@H]1C1CCC1 ZINC000381570031 346372230 /nfs/dbraw/zinc/37/22/30/346372230.db2.gz WRDKNXJMLNPEBU-ZFWWWQNUSA-N 0 0 215.340 3.986 20 0 BHADRN Cc1ccc(OC[C@H]2CCCC2(F)F)cc1 ZINC000381571192 346372783 /nfs/dbraw/zinc/37/27/83/346372783.db2.gz YSLWTQYQLGAHAJ-LLVKDONJSA-N 0 0 226.266 3.809 20 0 BHADRN Cc1ccc(OC[C@@H]2CCCC2(F)F)cc1 ZINC000381571193 346373138 /nfs/dbraw/zinc/37/31/38/346373138.db2.gz YSLWTQYQLGAHAJ-NSHDSACASA-N 0 0 226.266 3.809 20 0 BHADRN O=[N+]([O-])c1ccc(NC2CCCCCC2)s1 ZINC000381572771 344522009 /nfs/dbraw/zinc/52/20/09/344522009.db2.gz YGVRTZSDPDBYGN-UHFFFAOYSA-N 0 0 240.328 3.791 20 0 BHADRN CSc1ccc(C)c(NCc2ccoc2)c1 ZINC000381573190 710655873 /nfs/dbraw/zinc/65/58/73/710655873.db2.gz YMXHUTZQHAFBFS-UHFFFAOYSA-N 0 0 233.336 3.922 20 0 BHADRN CCCC[C@H](CCC)Sc1nccnc1N ZINC000381574266 346375977 /nfs/dbraw/zinc/37/59/77/346375977.db2.gz XQYLNRAYJUAOCX-JTQLQIEISA-N 0 0 239.388 3.510 20 0 BHADRN CCCC[C@@H](CCC)Sc1nccnc1N ZINC000381574268 346375988 /nfs/dbraw/zinc/37/59/88/346375988.db2.gz XQYLNRAYJUAOCX-SNVBAGLBSA-N 0 0 239.388 3.510 20 0 BHADRN Cc1cc(OC[C@@H]2CCCC2(F)F)ccc1F ZINC000381574341 367432535 /nfs/dbraw/zinc/43/25/35/367432535.db2.gz ZOYWKOKVDYNENR-JTQLQIEISA-N 0 0 244.256 3.948 20 0 BHADRN Cc1cc(OC[C@H]2CCCC2(F)F)ccc1F ZINC000381574342 367431930 /nfs/dbraw/zinc/43/19/30/367431930.db2.gz ZOYWKOKVDYNENR-SNVBAGLBSA-N 0 0 244.256 3.948 20 0 BHADRN Cc1cccc(N[C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000381574921 346377692 /nfs/dbraw/zinc/37/76/92/346377692.db2.gz ZKDYWTVIUBWEQE-NWANDNLSSA-N 0 0 215.340 3.986 20 0 BHADRN Cc1cccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000381574930 346377494 /nfs/dbraw/zinc/37/74/94/346377494.db2.gz ZKDYWTVIUBWEQE-YUELXQCFSA-N 0 0 215.340 3.986 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@H]2C(C)(C)C)cn1 ZINC000381581720 367432065 /nfs/dbraw/zinc/43/20/65/367432065.db2.gz FNOXNXOSCKLRPD-CHWSQXEVSA-N 0 0 218.344 3.627 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@H]2C(C)(C)C)cn1 ZINC000381581721 367432437 /nfs/dbraw/zinc/43/24/37/367432437.db2.gz FNOXNXOSCKLRPD-OLZOCXBDSA-N 0 0 218.344 3.627 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@@H]2C(C)(C)C)cn1 ZINC000381581723 367432113 /nfs/dbraw/zinc/43/21/13/367432113.db2.gz FNOXNXOSCKLRPD-QWHCGFSZSA-N 0 0 218.344 3.627 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@@H]2C(C)(C)C)cn1 ZINC000381581724 367432589 /nfs/dbraw/zinc/43/25/89/367432589.db2.gz FNOXNXOSCKLRPD-STQMWFEESA-N 0 0 218.344 3.627 20 0 BHADRN CSc1ccncc1N[C@@H]1CC[C@@H]1C(C)C ZINC000381581926 710658574 /nfs/dbraw/zinc/65/85/74/710658574.db2.gz FSAPOGHHNDDMRF-GHMZBOCLSA-N 0 0 236.384 3.650 20 0 BHADRN CSc1ccncc1N[C@H]1CC[C@@H]1C(C)C ZINC000381581931 710657949 /nfs/dbraw/zinc/65/79/49/710657949.db2.gz FSAPOGHHNDDMRF-MNOVXSKESA-N 0 0 236.384 3.650 20 0 BHADRN CSc1ccncc1N[C@H]1CC[C@H]1C(C)C ZINC000381581932 710658562 /nfs/dbraw/zinc/65/85/62/710658562.db2.gz FSAPOGHHNDDMRF-QWRGUYRKSA-N 0 0 236.384 3.650 20 0 BHADRN CSc1ccncc1N[C@@H]1CC[C@H]1C(C)C ZINC000381581936 710658052 /nfs/dbraw/zinc/65/80/52/710658052.db2.gz FSAPOGHHNDDMRF-WDEREUQCSA-N 0 0 236.384 3.650 20 0 BHADRN CCc1onc(C)c1NCc1sccc1C ZINC000381584279 710658006 /nfs/dbraw/zinc/65/80/06/710658006.db2.gz BXQGLGFANILQMI-UHFFFAOYSA-N 0 0 236.340 3.527 20 0 BHADRN Cc1cc(F)cc(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000381584939 539004355 /nfs/dbraw/zinc/00/43/55/539004355.db2.gz HCJIPUCZAGECKT-KBPBESRZSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cc(F)cc(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000381584943 539004273 /nfs/dbraw/zinc/00/42/73/539004273.db2.gz HCJIPUCZAGECKT-KGLIPLIRSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cc(F)cc(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000381584946 539004367 /nfs/dbraw/zinc/00/43/67/539004367.db2.gz HCJIPUCZAGECKT-UONOGXRCSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cc(F)cc(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000381584949 539003971 /nfs/dbraw/zinc/00/39/71/539003971.db2.gz HCJIPUCZAGECKT-ZIAGYGMSSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1cc(-c2nc3cc(C)ccc3[nH]2)cs1 ZINC000381590924 346394949 /nfs/dbraw/zinc/39/49/49/346394949.db2.gz GNFOTEHXUOXHGA-UHFFFAOYSA-N 0 0 228.320 3.908 20 0 BHADRN CSCCc1ccc(NCC2(C)CC2)cc1 ZINC000381591458 346395749 /nfs/dbraw/zinc/39/57/49/346395749.db2.gz JPSFMCPGUSROCY-UHFFFAOYSA-N 0 0 235.396 3.804 20 0 BHADRN CCNc1ccc(F)cc1OC1CCCC1 ZINC000381591879 539003985 /nfs/dbraw/zinc/00/39/85/539003985.db2.gz JUEVJZWNKRXXQY-UHFFFAOYSA-N 0 0 223.291 3.579 20 0 BHADRN Cc1ccc(NC2CC(C(F)F)C2)cc1F ZINC000381592908 710659968 /nfs/dbraw/zinc/65/99/68/710659968.db2.gz HTZWLVARMHRWLJ-UHFFFAOYSA-N 0 0 229.245 3.590 20 0 BHADRN CC[C@H](F)CNc1cccc(C(C)(F)F)c1 ZINC000381594143 367434685 /nfs/dbraw/zinc/43/46/85/367434685.db2.gz KUCNDLIVZXKKHW-JTQLQIEISA-N 0 0 231.261 3.958 20 0 BHADRN CC[C@@H](F)CNc1cccc(C(C)(F)F)c1 ZINC000381594152 346398736 /nfs/dbraw/zinc/39/87/36/346398736.db2.gz KUCNDLIVZXKKHW-SNVBAGLBSA-N 0 0 231.261 3.958 20 0 BHADRN CSc1ccncc1NC1CC(C(C)C)C1 ZINC000381594725 539004622 /nfs/dbraw/zinc/00/46/22/539004622.db2.gz KZRXLHGVUNAENV-UHFFFAOYSA-N 0 0 236.384 3.650 20 0 BHADRN Clc1nc(NC2CCC2)cc2ccccc21 ZINC000381596612 710661385 /nfs/dbraw/zinc/66/13/85/710661385.db2.gz LYXARPOIRIKFTK-UHFFFAOYSA-N 0 0 232.714 3.853 20 0 BHADRN c1cc(CNc2ccc(C3CC3)cc2)co1 ZINC000381597251 710660061 /nfs/dbraw/zinc/66/00/61/710660061.db2.gz KMDPAOUUKHOICO-UHFFFAOYSA-N 0 0 213.280 3.769 20 0 BHADRN CCC[C@@H](NCC(F)(F)F)C1CCCCC1 ZINC000381599668 346406298 /nfs/dbraw/zinc/40/62/98/346406298.db2.gz NADZSYQSWZXJHE-LLVKDONJSA-N 0 0 237.309 3.887 20 0 BHADRN CCC[C@H](NCC(F)(F)F)C1CCCCC1 ZINC000381599670 346406056 /nfs/dbraw/zinc/40/60/56/346406056.db2.gz NADZSYQSWZXJHE-NSHDSACASA-N 0 0 237.309 3.887 20 0 BHADRN CC[C@@H]([NH2+]C/C=C\Cl)c1ccc(F)cc1F ZINC000381602271 710661198 /nfs/dbraw/zinc/66/11/98/710661198.db2.gz OKSRINFDXIMTHA-GCLPIYDQSA-N 0 0 245.700 3.758 20 0 BHADRN CC[C@H]([NH2+]C/C=C\Cl)c1ccc(F)cc1F ZINC000381602273 710660551 /nfs/dbraw/zinc/66/05/51/710660551.db2.gz OKSRINFDXIMTHA-RYBZSIHZSA-N 0 0 245.700 3.758 20 0 BHADRN Cc1ccnc(NC(C2CC2)C2CC2)c1Cl ZINC000381604984 367435954 /nfs/dbraw/zinc/43/59/54/367435954.db2.gz PRDYDCCYUPEIRM-UHFFFAOYSA-N 0 0 236.746 3.644 20 0 BHADRN CCCc1nccn1C[C@H]1CCCCC1(F)F ZINC000381605460 367437221 /nfs/dbraw/zinc/43/72/21/367437221.db2.gz NZUJEPJDHRKWQM-LLVKDONJSA-N 0 0 242.313 3.661 20 0 BHADRN CCCc1nccn1C[C@@H]1CCCCC1(F)F ZINC000381605464 367437611 /nfs/dbraw/zinc/43/76/11/367437611.db2.gz NZUJEPJDHRKWQM-NSHDSACASA-N 0 0 242.313 3.661 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000381607041 539004606 /nfs/dbraw/zinc/00/46/06/539004606.db2.gz QPBCDLRRUXLAFD-DZGCQCFKSA-N 0 0 215.340 3.904 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000381607042 539004604 /nfs/dbraw/zinc/00/46/04/539004604.db2.gz QPBCDLRRUXLAFD-HIFRSBDPSA-N 0 0 215.340 3.904 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000381607043 539004524 /nfs/dbraw/zinc/00/45/24/539004524.db2.gz QPBCDLRRUXLAFD-UKRRQHHQSA-N 0 0 215.340 3.904 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000381607044 539004832 /nfs/dbraw/zinc/00/48/32/539004832.db2.gz QPBCDLRRUXLAFD-ZFWWWQNUSA-N 0 0 215.340 3.904 20 0 BHADRN Cc1cc(-c2nc3c(cccc3C)[nH]2)cs1 ZINC000381613402 367438921 /nfs/dbraw/zinc/43/89/21/367438921.db2.gz VWOASDLFJCOPTI-UHFFFAOYSA-N 0 0 228.320 3.908 20 0 BHADRN CCC[C@@H](C)Nc1cc(F)cc(F)c1OC ZINC000381615582 346438732 /nfs/dbraw/zinc/43/87/32/346438732.db2.gz VDQAJAHIFQXBKP-MRVPVSSYSA-N 0 0 229.270 3.574 20 0 BHADRN CCC[C@H](C)Nc1cc(F)cc(F)c1OC ZINC000381615584 367439051 /nfs/dbraw/zinc/43/90/51/367439051.db2.gz VDQAJAHIFQXBKP-QMMMGPOBSA-N 0 0 229.270 3.574 20 0 BHADRN CC[C@H](NCC1CCCCCC1)C(F)(F)F ZINC000381618445 346444511 /nfs/dbraw/zinc/44/45/11/346444511.db2.gz WXKTZOHPUXUAHD-NSHDSACASA-N 0 0 237.309 3.887 20 0 BHADRN CC[C@@H](C)N=c1[nH]c2c(ccc(C)c2C)s1 ZINC000381620911 344527262 /nfs/dbraw/zinc/52/72/62/344527262.db2.gz ZJHPQZXIKWUHCT-SECBINFHSA-N 0 0 234.368 3.545 20 0 BHADRN CC[C@H](C)N=c1[nH]c2c(ccc(C)c2C)s1 ZINC000381620913 344527191 /nfs/dbraw/zinc/52/71/91/344527191.db2.gz ZJHPQZXIKWUHCT-VIFPVBQESA-N 0 0 234.368 3.545 20 0 BHADRN Clc1ccc(N[C@H]2CC[C@@H]2C2CCC2)cn1 ZINC000381622327 710663199 /nfs/dbraw/zinc/66/31/99/710663199.db2.gz DHVXGPCBRUVCAY-NEPJUHHUSA-N 0 0 236.746 3.726 20 0 BHADRN Clc1ccc(N[C@@H]2CC[C@H]2C2CCC2)cn1 ZINC000381622328 710663006 /nfs/dbraw/zinc/66/30/06/710663006.db2.gz DHVXGPCBRUVCAY-NWDGAFQWSA-N 0 0 236.746 3.726 20 0 BHADRN Clc1ccc(N[C@H]2CC[C@H]2C2CCC2)cn1 ZINC000381622329 710662353 /nfs/dbraw/zinc/66/23/53/710662353.db2.gz DHVXGPCBRUVCAY-RYUDHWBXSA-N 0 0 236.746 3.726 20 0 BHADRN Clc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)cn1 ZINC000381622330 710663047 /nfs/dbraw/zinc/66/30/47/710663047.db2.gz DHVXGPCBRUVCAY-VXGBXAGGSA-N 0 0 236.746 3.726 20 0 BHADRN CC[C@H]1CC[C@H](Nc2cncc(Cl)n2)CC1 ZINC000381622525 710663034 /nfs/dbraw/zinc/66/30/34/710663034.db2.gz DOJRRUHBQYAUSZ-MGCOHNPYSA-N 0 0 239.750 3.511 20 0 BHADRN CC(C)(C)[C@@H](NCC1(C)CCC1)C(F)(F)F ZINC000381627393 367440383 /nfs/dbraw/zinc/44/03/83/367440383.db2.gz MLNNFXNNVCBMQO-SECBINFHSA-N 0 0 237.309 3.743 20 0 BHADRN CC(C)(C)[C@H](NCC1(C)CCC1)C(F)(F)F ZINC000381627395 367440414 /nfs/dbraw/zinc/44/04/14/367440414.db2.gz MLNNFXNNVCBMQO-VIFPVBQESA-N 0 0 237.309 3.743 20 0 BHADRN FC(F)(F)Cc1ccc(NC/C=C\Cl)cc1 ZINC000381629654 710664198 /nfs/dbraw/zinc/66/41/98/710664198.db2.gz OOQODHPISSTERV-BHQIHCQQSA-N 0 0 249.663 3.956 20 0 BHADRN FC(F)(F)Cc1ccc(NC/C=C/Cl)cc1 ZINC000381629656 710664581 /nfs/dbraw/zinc/66/45/81/710664581.db2.gz OOQODHPISSTERV-LZCJLJQNSA-N 0 0 249.663 3.956 20 0 BHADRN Cc1ccccc1SC[C@@H]1CCC[C@@H](O)C1 ZINC000381631699 346488817 /nfs/dbraw/zinc/48/88/17/346488817.db2.gz MYXUZHXARTULSS-CHWSQXEVSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1ccccc1SC[C@@H]1CCC[C@H](O)C1 ZINC000381631700 346489135 /nfs/dbraw/zinc/48/91/35/346489135.db2.gz MYXUZHXARTULSS-OLZOCXBDSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1ccccc1SC[C@H]1CCC[C@@H](O)C1 ZINC000381631701 346489025 /nfs/dbraw/zinc/48/90/25/346489025.db2.gz MYXUZHXARTULSS-QWHCGFSZSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1ccccc1SC[C@H]1CCC[C@H](O)C1 ZINC000381631702 346489019 /nfs/dbraw/zinc/48/90/19/346489019.db2.gz MYXUZHXARTULSS-STQMWFEESA-N 0 0 236.380 3.638 20 0 BHADRN Cc1cccc(SC[C@@H]2CCC[C@@H](O)C2)c1 ZINC000381633156 346491849 /nfs/dbraw/zinc/49/18/49/346491849.db2.gz NKTRTBQDYDBSME-CHWSQXEVSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1cccc(SC[C@@H]2CCC[C@H](O)C2)c1 ZINC000381633158 367442111 /nfs/dbraw/zinc/44/21/11/367442111.db2.gz NKTRTBQDYDBSME-OLZOCXBDSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1cccc(SC[C@H]2CCC[C@@H](O)C2)c1 ZINC000381633160 367441645 /nfs/dbraw/zinc/44/16/45/367441645.db2.gz NKTRTBQDYDBSME-QWHCGFSZSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1cccc(SC[C@H]2CCC[C@H](O)C2)c1 ZINC000381633162 367441747 /nfs/dbraw/zinc/44/17/47/367441747.db2.gz NKTRTBQDYDBSME-STQMWFEESA-N 0 0 236.380 3.638 20 0 BHADRN N#Cc1ccc(NCc2cscc2Cl)cc1 ZINC000381634075 344527714 /nfs/dbraw/zinc/52/77/14/344527714.db2.gz SZCVUZYGNUDNCS-UHFFFAOYSA-N 0 0 248.738 3.885 20 0 BHADRN FC1(CNc2ccc(C3CCC3)cc2)CC1 ZINC000381637701 367442219 /nfs/dbraw/zinc/44/22/19/367442219.db2.gz XNBYAYINQHTHMB-UHFFFAOYSA-N 0 0 219.303 3.868 20 0 BHADRN N#Cc1cccc(NCc2cscc2Cl)c1 ZINC000381638292 344528815 /nfs/dbraw/zinc/52/88/15/344528815.db2.gz YCXJUEIWXRVCAT-UHFFFAOYSA-N 0 0 248.738 3.885 20 0 BHADRN CC[C@H](N[C@@H]1CCCC1(F)F)c1cccs1 ZINC000381642483 539005885 /nfs/dbraw/zinc/00/58/85/539005885.db2.gz AWHJGJLEMLLQQT-GXSJLCMTSA-N 0 0 245.338 3.977 20 0 BHADRN CC[C@@H](N[C@H]1CCCC1(F)F)c1cccs1 ZINC000381642484 539006072 /nfs/dbraw/zinc/00/60/72/539006072.db2.gz AWHJGJLEMLLQQT-KOLCDFICSA-N 0 0 245.338 3.977 20 0 BHADRN CC[C@@H](N[C@@H]1CCCC1(F)F)c1cccs1 ZINC000381642485 539005935 /nfs/dbraw/zinc/00/59/35/539005935.db2.gz AWHJGJLEMLLQQT-MWLCHTKSSA-N 0 0 245.338 3.977 20 0 BHADRN CC[C@H](N[C@H]1CCCC1(F)F)c1cccs1 ZINC000381642486 539005950 /nfs/dbraw/zinc/00/59/50/539005950.db2.gz AWHJGJLEMLLQQT-ONGXEEELSA-N 0 0 245.338 3.977 20 0 BHADRN CC[C@H](N[C@@H]1CCC[C@H](CC)C1)C(F)(F)F ZINC000381646932 346541172 /nfs/dbraw/zinc/54/11/72/346541172.db2.gz BVZMXDCWADZFIA-AXFHLTTASA-N 0 0 237.309 3.886 20 0 BHADRN CC[C@H](N[C@H]1CCC[C@H](CC)C1)C(F)(F)F ZINC000381646938 346541028 /nfs/dbraw/zinc/54/10/28/346541028.db2.gz BVZMXDCWADZFIA-DCAQKATOSA-N 0 0 237.309 3.886 20 0 BHADRN CC[C@H](N[C@@H]1CCC[C@@H](CC)C1)C(F)(F)F ZINC000381646941 346540861 /nfs/dbraw/zinc/54/08/61/346540861.db2.gz BVZMXDCWADZFIA-MXWKQRLJSA-N 0 0 237.309 3.886 20 0 BHADRN CC[C@H](N[C@H]1CCC[C@@H](CC)C1)C(F)(F)F ZINC000381646943 367442869 /nfs/dbraw/zinc/44/28/69/367442869.db2.gz BVZMXDCWADZFIA-VWYCJHECSA-N 0 0 237.309 3.886 20 0 BHADRN CC(C)[C@H](N[C@H](C)C1CCCC1)C(F)(F)F ZINC000381648072 346545785 /nfs/dbraw/zinc/54/57/85/346545785.db2.gz CGCMEYCARZAYAR-KOLCDFICSA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)[C@H](N[C@@H](C)C1CCCC1)C(F)(F)F ZINC000381648076 346545565 /nfs/dbraw/zinc/54/55/65/346545565.db2.gz CGCMEYCARZAYAR-ONGXEEELSA-N 0 0 237.309 3.742 20 0 BHADRN COCC[C@H](C)Nc1cccc2ccsc21 ZINC000381648171 346545091 /nfs/dbraw/zinc/54/50/91/346545091.db2.gz CITDRIQXMRWQIZ-JTQLQIEISA-N 0 0 235.352 3.738 20 0 BHADRN COCC[C@@H](C)Nc1cccc2ccsc21 ZINC000381648172 346545290 /nfs/dbraw/zinc/54/52/90/346545290.db2.gz CITDRIQXMRWQIZ-SNVBAGLBSA-N 0 0 235.352 3.738 20 0 BHADRN CC[C@H](N[C@H]1CCC12CCCC2)C(F)(F)F ZINC000381648825 346546545 /nfs/dbraw/zinc/54/65/45/346546545.db2.gz COGPVKFJIGBVKE-UWVGGRQHSA-N 0 0 235.293 3.640 20 0 BHADRN CC[C@H](N[C@@H]1CCC12CCCC2)C(F)(F)F ZINC000381648826 346546165 /nfs/dbraw/zinc/54/61/65/346546165.db2.gz COGPVKFJIGBVKE-VHSXEESVSA-N 0 0 235.293 3.640 20 0 BHADRN CCOc1ccc(NC2CC(C)(C)C2)cc1 ZINC000381649733 710666937 /nfs/dbraw/zinc/66/69/37/710666937.db2.gz CUPNMOLUPDRBLR-UHFFFAOYSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccc(N[C@@H]2CC[C@H]2CC)cc1 ZINC000381650725 710666583 /nfs/dbraw/zinc/66/65/83/710666583.db2.gz DATKISIIKCOXCV-BXUZGUMPSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccc(N[C@H]2CC[C@@H]2CC)cc1 ZINC000381650728 710666878 /nfs/dbraw/zinc/66/68/78/710666878.db2.gz DATKISIIKCOXCV-FZMZJTMJSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccc(N[C@H]2CC[C@H]2CC)cc1 ZINC000381650740 710666547 /nfs/dbraw/zinc/66/65/47/710666547.db2.gz DATKISIIKCOXCV-RISCZKNCSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccc(N[C@@H]2CC[C@@H]2CC)cc1 ZINC000381650743 710666991 /nfs/dbraw/zinc/66/69/91/710666991.db2.gz DATKISIIKCOXCV-SMDDNHRTSA-N 0 0 219.328 3.686 20 0 BHADRN COCCCCNc1c(Cl)ccc(C)c1C ZINC000381651307 367442568 /nfs/dbraw/zinc/44/25/68/367442568.db2.gz DECUGYWDSOTZBB-UHFFFAOYSA-N 0 0 241.762 3.795 20 0 BHADRN CO[C@H](C)[C@@H](C)Nc1cc(C)c(Cl)c(C)c1 ZINC000381652440 346561224 /nfs/dbraw/zinc/56/12/24/346561224.db2.gz DIKVHXWOGIIYAA-GHMZBOCLSA-N 0 0 241.762 3.792 20 0 BHADRN CO[C@@H](C)[C@@H](C)Nc1cc(C)c(Cl)c(C)c1 ZINC000381652445 346561631 /nfs/dbraw/zinc/56/16/31/346561631.db2.gz DIKVHXWOGIIYAA-MNOVXSKESA-N 0 0 241.762 3.792 20 0 BHADRN CO[C@@H](C)[C@H](C)Nc1cc(C)c(Cl)c(C)c1 ZINC000381652450 346561871 /nfs/dbraw/zinc/56/18/71/346561871.db2.gz DIKVHXWOGIIYAA-QWRGUYRKSA-N 0 0 241.762 3.792 20 0 BHADRN CO[C@H](C)[C@H](C)Nc1cc(C)c(Cl)c(C)c1 ZINC000381652455 367444440 /nfs/dbraw/zinc/44/44/40/367444440.db2.gz DIKVHXWOGIIYAA-WDEREUQCSA-N 0 0 241.762 3.792 20 0 BHADRN Cc1nc2cc(N[C@@H]3CC[C@@H]3C)ccc2s1 ZINC000381653006 710666534 /nfs/dbraw/zinc/66/65/34/710666534.db2.gz DLYVOOSIMKKAKT-GZMMTYOYSA-N 0 0 232.352 3.815 20 0 BHADRN Cc1nc2cc(N[C@H]3CC[C@H]3C)ccc2s1 ZINC000381653007 710666961 /nfs/dbraw/zinc/66/69/61/710666961.db2.gz DLYVOOSIMKKAKT-KCJUWKMLSA-N 0 0 232.352 3.815 20 0 BHADRN Cc1nc2cc(N[C@H]3CC[C@@H]3C)ccc2s1 ZINC000381653009 710666805 /nfs/dbraw/zinc/66/68/05/710666805.db2.gz DLYVOOSIMKKAKT-KWQFWETISA-N 0 0 232.352 3.815 20 0 BHADRN Cc1nc2cc(N[C@@H]3CC[C@H]3C)ccc2s1 ZINC000381653014 710666720 /nfs/dbraw/zinc/66/67/20/710666720.db2.gz DLYVOOSIMKKAKT-LDYMZIIASA-N 0 0 232.352 3.815 20 0 BHADRN C[C@H]([NH2+][C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000381661491 539005654 /nfs/dbraw/zinc/00/56/54/539005654.db2.gz GDMUKURFNKTGMK-CMPLNLGQSA-N 0 0 231.330 3.733 20 0 BHADRN C[C@H]([NH2+][C@H]1CCCC1(F)F)C1CCCCC1 ZINC000381661493 539005957 /nfs/dbraw/zinc/00/59/57/539005957.db2.gz GDMUKURFNKTGMK-JQWIXIFHSA-N 0 0 231.330 3.733 20 0 BHADRN C[C@@H]([NH2+][C@H]1CCCC1(F)F)C1CCCCC1 ZINC000381661496 539005628 /nfs/dbraw/zinc/00/56/28/539005628.db2.gz GDMUKURFNKTGMK-PWSUYJOCSA-N 0 0 231.330 3.733 20 0 BHADRN C[C@@H]([NH2+][C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000381661497 539005615 /nfs/dbraw/zinc/00/56/15/539005615.db2.gz GDMUKURFNKTGMK-ZYHUDNBSSA-N 0 0 231.330 3.733 20 0 BHADRN CCNc1cccc(COC(C)(C)C)c1C ZINC000381695927 367447518 /nfs/dbraw/zinc/44/75/18/367447518.db2.gz HNFSRIIVBCXHNR-UHFFFAOYSA-N 0 0 221.344 3.742 20 0 BHADRN C[C@@H](N[C@H](C)C(F)(F)F)C1C(C)(C)C1(C)C ZINC000381708070 367448515 /nfs/dbraw/zinc/44/85/15/367448515.db2.gz JWEIRKTZGDLQOS-HTQZYQBOSA-N 0 0 237.309 3.598 20 0 BHADRN C[C@@H](N[C@@H](C)C1C(C)(C)C1(C)C)C(F)(F)F ZINC000381708071 367449229 /nfs/dbraw/zinc/44/92/29/367449229.db2.gz JWEIRKTZGDLQOS-JGVFFNPUSA-N 0 0 237.309 3.598 20 0 BHADRN C[C@@H](N[C@@H](C)C(F)(F)F)C1C(C)(C)C1(C)C ZINC000381708072 367449164 /nfs/dbraw/zinc/44/91/64/367449164.db2.gz JWEIRKTZGDLQOS-SFYZADRCSA-N 0 0 237.309 3.598 20 0 BHADRN C[C@H](N[C@@H](C)C(F)(F)F)C1C(C)(C)C1(C)C ZINC000381708073 367448880 /nfs/dbraw/zinc/44/88/80/367448880.db2.gz JWEIRKTZGDLQOS-YUMQZZPRSA-N 0 0 237.309 3.598 20 0 BHADRN COCC(C)(C)CNc1cc(Cl)ccc1C ZINC000381721458 346749784 /nfs/dbraw/zinc/74/97/84/346749784.db2.gz LWPBNQWJRJZAGD-UHFFFAOYSA-N 0 0 241.762 3.733 20 0 BHADRN COCC(C)(C)CNc1cccc(Cl)c1C ZINC000381750011 367454242 /nfs/dbraw/zinc/45/42/42/367454242.db2.gz QXXXLSOXJQHGHB-UHFFFAOYSA-N 0 0 241.762 3.733 20 0 BHADRN CO[C@H](C)[C@@H](C)Nc1cccc2ccsc21 ZINC000381751839 367454304 /nfs/dbraw/zinc/45/43/04/367454304.db2.gz RIZKIDGZARUWIS-NXEZZACHSA-N 0 0 235.352 3.737 20 0 BHADRN CO[C@@H](C)[C@H](C)Nc1cccc2ccsc21 ZINC000381751848 367454423 /nfs/dbraw/zinc/45/44/23/367454423.db2.gz RIZKIDGZARUWIS-UWVGGRQHSA-N 0 0 235.352 3.737 20 0 BHADRN CO[C@H](C)[C@H](C)Nc1cccc2ccsc21 ZINC000381751853 367454318 /nfs/dbraw/zinc/45/43/18/367454318.db2.gz RIZKIDGZARUWIS-VHSXEESVSA-N 0 0 235.352 3.737 20 0 BHADRN CO[C@@H](C)[C@@H](C)Nc1cccc2ccsc21 ZINC000381751861 367454159 /nfs/dbraw/zinc/45/41/59/367454159.db2.gz RIZKIDGZARUWIS-ZJUUUORDSA-N 0 0 235.352 3.737 20 0 BHADRN C[C@@H](NC[C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000381777518 539006957 /nfs/dbraw/zinc/00/69/57/539006957.db2.gz XGIDPFKSGJYDGE-NXEZZACHSA-N 0 0 237.309 3.743 20 0 BHADRN C[C@H](NC[C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000381777519 539006923 /nfs/dbraw/zinc/00/69/23/539006923.db2.gz XGIDPFKSGJYDGE-UWVGGRQHSA-N 0 0 237.309 3.743 20 0 BHADRN C[C@H](NC[C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000381777520 539007127 /nfs/dbraw/zinc/00/71/27/539007127.db2.gz XGIDPFKSGJYDGE-VHSXEESVSA-N 0 0 237.309 3.743 20 0 BHADRN C[C@@H](NC[C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000381777521 538468628 /nfs/dbraw/zinc/46/86/28/538468628.db2.gz XGIDPFKSGJYDGE-ZJUUUORDSA-N 0 0 237.309 3.743 20 0 BHADRN COCC(C)(C)CNc1ccc(Cl)cc1C ZINC000381788282 367458506 /nfs/dbraw/zinc/45/85/06/367458506.db2.gz ZKUHQNRUBFFUTG-UHFFFAOYSA-N 0 0 241.762 3.733 20 0 BHADRN FC(F)C1(NCCCC2CCCCC2)CC1 ZINC000381801480 367459369 /nfs/dbraw/zinc/45/93/69/367459369.db2.gz DJGNNNDCHSGAIK-UHFFFAOYSA-N 0 0 231.330 3.734 20 0 BHADRN FC1(F)CCC[C@H]1NCc1ccccc1Cl ZINC000381815776 539007480 /nfs/dbraw/zinc/00/74/80/539007480.db2.gz JERREPCATLQQDL-LLVKDONJSA-N 0 0 245.700 3.617 20 0 BHADRN FC1(F)CCC[C@@H]1NCc1ccccc1Cl ZINC000381815777 539007585 /nfs/dbraw/zinc/00/75/85/539007585.db2.gz JERREPCATLQQDL-NSHDSACASA-N 0 0 245.700 3.617 20 0 BHADRN Fc1ccc(NCCCc2ccsc2)cc1 ZINC000381824011 344700275 /nfs/dbraw/zinc/70/02/75/344700275.db2.gz LOOARRLYTVIERD-UHFFFAOYSA-N 0 0 235.327 3.932 20 0 BHADRN CC(C)=CCSCc1cnc(Cl)s1 ZINC000381840018 710733151 /nfs/dbraw/zinc/73/31/51/710733151.db2.gz DAQCNGWAPNWOMC-UHFFFAOYSA-N 0 0 233.789 3.996 20 0 BHADRN FC(F)C1(NCc2ccsc2)CCCCC1 ZINC000381866505 367463500 /nfs/dbraw/zinc/46/35/00/367463500.db2.gz XLHNTFWZPFAMEX-UHFFFAOYSA-N 0 0 245.338 3.806 20 0 BHADRN c1cc(N[C@@H]2CC3CCC2CC3)cc2c1OCC2 ZINC000381965849 710761702 /nfs/dbraw/zinc/76/17/02/710761702.db2.gz GPOUKXJDMKQWOX-KOHJWAIASA-N 0 0 243.350 3.612 20 0 BHADRN c1cc(N[C@H]2CC3CCC2CC3)cc2c1OCC2 ZINC000381965850 710761780 /nfs/dbraw/zinc/76/17/80/710761780.db2.gz GPOUKXJDMKQWOX-QOZQQMKHSA-N 0 0 243.350 3.612 20 0 BHADRN CC[C@H]1CC[C@H]([NH2+][C@H](C)c2cscn2)CC1 ZINC000381979236 367474968 /nfs/dbraw/zinc/47/49/68/367474968.db2.gz DUYGFIBNWYXDLI-IJLUTSLNSA-N 0 0 238.400 3.763 20 0 BHADRN CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2cscn2)CC1 ZINC000381979238 367475207 /nfs/dbraw/zinc/47/52/07/367475207.db2.gz DUYGFIBNWYXDLI-SRVKXCTJSA-N 0 0 238.400 3.763 20 0 BHADRN CCc1cccc(Cl)c1CNCC(C)(F)F ZINC000381993616 347039589 /nfs/dbraw/zinc/03/95/89/347039589.db2.gz HZZRZNUGZKTZKQ-UHFFFAOYSA-N 0 0 247.716 3.647 20 0 BHADRN CC(C)C1([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000382003778 398298532 /nfs/dbraw/zinc/29/85/32/398298532.db2.gz AIGMGZCEWSTSTI-UHFFFAOYSA-N 0 0 241.737 3.757 20 0 BHADRN F[C@@H]1CCC[C@@H]1Nc1ncc(Cl)cc1Cl ZINC000382006804 397859180 /nfs/dbraw/zinc/85/91/80/397859180.db2.gz BJHUBGWARQBILW-BDAKNGLRSA-N 0 0 249.116 3.691 20 0 BHADRN Cc1cc(Cl)cc(CNC(C)(C)C(F)F)c1 ZINC000382030440 410952624 /nfs/dbraw/zinc/95/26/24/410952624.db2.gz UCTSOMVFTIYMHF-UHFFFAOYSA-N 0 0 247.716 3.782 20 0 BHADRN CCc1ccc([C@H](C)NCC(C)(F)F)cc1 ZINC000382040344 347095779 /nfs/dbraw/zinc/09/57/79/347095779.db2.gz XGECVJPTHMMUHP-JTQLQIEISA-N 0 0 227.298 3.555 20 0 BHADRN CCc1ccc([C@@H](C)NCC(C)(F)F)cc1 ZINC000382040345 347096083 /nfs/dbraw/zinc/09/60/83/347096083.db2.gz XGECVJPTHMMUHP-SNVBAGLBSA-N 0 0 227.298 3.555 20 0 BHADRN Cc1cccc(SC[C@@H]2CCCC[C@H]2O)c1 ZINC000382048997 347107656 /nfs/dbraw/zinc/10/76/56/347107656.db2.gz MACBYOIICXWEJW-GXTWGEPZSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1cccc(SC[C@@H]2CCCC[C@@H]2O)c1 ZINC000382048998 347107105 /nfs/dbraw/zinc/10/71/05/347107105.db2.gz MACBYOIICXWEJW-JSGCOSHPSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1cccc(SC[C@H]2CCCC[C@@H]2O)c1 ZINC000382048999 347107311 /nfs/dbraw/zinc/10/73/11/347107311.db2.gz MACBYOIICXWEJW-OCCSQVGLSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1cccc(SC[C@H]2CCCC[C@H]2O)c1 ZINC000382049000 347107730 /nfs/dbraw/zinc/10/77/30/347107730.db2.gz MACBYOIICXWEJW-TZMCWYRMSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1csc(C(=O)Nc2ccc(C)cc2)c1 ZINC000382082503 347145958 /nfs/dbraw/zinc/14/59/58/347145958.db2.gz AIILADKHUDVHCK-UHFFFAOYSA-N 0 0 231.320 3.617 20 0 BHADRN Fc1ccc(N[C@H]2CC3CCC2CC3)cc1 ZINC000382083591 710775379 /nfs/dbraw/zinc/77/53/79/710775379.db2.gz FOMKENBSNZFMOO-MGULZYLOSA-N 0 0 219.303 3.816 20 0 BHADRN Fc1ccc(N[C@@H]2CC3CCC2CC3)cc1 ZINC000382083592 710775748 /nfs/dbraw/zinc/77/57/48/710775748.db2.gz FOMKENBSNZFMOO-QIMFLAQGSA-N 0 0 219.303 3.816 20 0 BHADRN COc1cc(N[C@H]2CC3CCC2CC3)ccc1F ZINC000382088400 710775048 /nfs/dbraw/zinc/77/50/48/710775048.db2.gz GLGQWVOGPRKRND-MGULZYLOSA-N 0 0 249.329 3.825 20 0 BHADRN COc1cc(N[C@@H]2CC3CCC2CC3)ccc1F ZINC000382088404 710775621 /nfs/dbraw/zinc/77/56/21/710775621.db2.gz GLGQWVOGPRKRND-QIMFLAQGSA-N 0 0 249.329 3.825 20 0 BHADRN CN(C)c1ccc(N[C@@H]2CC3CCC2CC3)cc1 ZINC000382095728 710775265 /nfs/dbraw/zinc/77/52/65/710775265.db2.gz HYIUHCWPKDZUPP-SEEARECTSA-N 0 0 244.382 3.743 20 0 BHADRN CN(C)c1ccc(N[C@H]2CC3CCC2CC3)cc1 ZINC000382095729 710774790 /nfs/dbraw/zinc/77/47/90/710774790.db2.gz HYIUHCWPKDZUPP-ZUEPYMLJSA-N 0 0 244.382 3.743 20 0 BHADRN CCSCOc1cc(Cl)ccc1F ZINC000382100815 710777054 /nfs/dbraw/zinc/77/70/54/710777054.db2.gz GRGFBTZQEGWLFF-UHFFFAOYSA-N 0 0 220.696 3.569 20 0 BHADRN C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(Cl)cc1 ZINC000382102300 367485281 /nfs/dbraw/zinc/48/52/81/367485281.db2.gz HATZHKFPCLWTRB-WQAKAFBOSA-N 0 0 241.737 3.881 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)c1cc(C)cs1 ZINC000382103348 367486126 /nfs/dbraw/zinc/48/61/26/367486126.db2.gz OYLITBAVAUGMPB-LLVKDONJSA-N 0 0 239.384 3.707 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)c1cc(C)cs1 ZINC000382103350 367485691 /nfs/dbraw/zinc/48/56/91/367485691.db2.gz OYLITBAVAUGMPB-NSHDSACASA-N 0 0 239.384 3.707 20 0 BHADRN CC(C)C1([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000382106371 367485493 /nfs/dbraw/zinc/48/54/93/367485493.db2.gz IOEPEFAJKWOCKT-UHFFFAOYSA-N 0 0 241.737 3.757 20 0 BHADRN CC(C)C1([NH2+]Cc2cscc2Cl)CC1 ZINC000382108403 398306065 /nfs/dbraw/zinc/30/60/65/398306065.db2.gz JINJZWRTGTXKOO-UHFFFAOYSA-N 0 0 229.776 3.680 20 0 BHADRN C[C@@H](NCC(C)(F)F)c1cc2c(s1)CCC2 ZINC000382110792 347185809 /nfs/dbraw/zinc/18/58/09/347185809.db2.gz KHTFUNPTMJWQOM-MRVPVSSYSA-N 0 0 245.338 3.543 20 0 BHADRN C[C@H](NCC(C)(F)F)c1cc2c(s1)CCC2 ZINC000382110794 347185651 /nfs/dbraw/zinc/18/56/51/347185651.db2.gz KHTFUNPTMJWQOM-QMMMGPOBSA-N 0 0 245.338 3.543 20 0 BHADRN CSCS[C@H](C)[C@@H](C)SCSC ZINC000382111645 710787798 /nfs/dbraw/zinc/78/77/98/710787798.db2.gz KQFIIPYMRDTJNQ-HTQZYQBOSA-N 0 0 242.500 3.871 20 0 BHADRN CSCS[C@H](C)[C@H](C)SCSC ZINC000382111657 710788064 /nfs/dbraw/zinc/78/80/64/710788064.db2.gz KQFIIPYMRDTJNQ-OCAPTIKFSA-N 0 0 242.500 3.871 20 0 BHADRN CSCS[C@@H](C)[C@H](C)SCSC ZINC000382111661 710787127 /nfs/dbraw/zinc/78/71/27/710787127.db2.gz KQFIIPYMRDTJNQ-YUMQZZPRSA-N 0 0 242.500 3.871 20 0 BHADRN Cc1cnccc1SC/C(Cl)=C\Cl ZINC000382111828 710788516 /nfs/dbraw/zinc/78/85/16/710788516.db2.gz KSRAGRSJPWUEOA-XBXARRHUSA-N 0 0 234.151 3.801 20 0 BHADRN Cc1sccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000382115741 398305762 /nfs/dbraw/zinc/30/57/62/398305762.db2.gz MCQZOWRXWVWWHZ-UHFFFAOYSA-N 0 0 241.743 3.593 20 0 BHADRN CSCSCCCc1ccccc1 ZINC000382115773 710794147 /nfs/dbraw/zinc/79/41/47/710794147.db2.gz MEOVXTAKTXIFAK-UHFFFAOYSA-N 0 0 212.383 3.673 20 0 BHADRN C[C@@H](Nc1nccs1)[C@H]1CC2CCC1CC2 ZINC000382130655 710798384 /nfs/dbraw/zinc/79/83/84/710798384.db2.gz MQXFJBYLOFWKME-HBIQZDMRSA-N 0 0 236.384 3.770 20 0 BHADRN C[C@H](Nc1nccs1)[C@H]1CC2CCC1CC2 ZINC000382130659 710798008 /nfs/dbraw/zinc/79/80/08/710798008.db2.gz MQXFJBYLOFWKME-WNYYMSAVSA-N 0 0 236.384 3.770 20 0 BHADRN C[C@H](Nc1nccs1)[C@@H]1CC2CCC1CC2 ZINC000382130661 710798250 /nfs/dbraw/zinc/79/82/50/710798250.db2.gz MQXFJBYLOFWKME-XKGSQUFQSA-N 0 0 236.384 3.770 20 0 BHADRN C[C@@H](Nc1nccs1)[C@@H]1CC2CCC1CC2 ZINC000382130664 710797643 /nfs/dbraw/zinc/79/76/43/710797643.db2.gz MQXFJBYLOFWKME-YYJSSNLHSA-N 0 0 236.384 3.770 20 0 BHADRN CCCCC[C@@H](C)NC(=O)c1cc(C)cs1 ZINC000382140742 710799600 /nfs/dbraw/zinc/79/96/00/710799600.db2.gz ZXEDALMCKCACLF-LLVKDONJSA-N 0 0 239.384 3.755 20 0 BHADRN CCCCC[C@H](C)NC(=O)c1cc(C)cs1 ZINC000382140752 710799423 /nfs/dbraw/zinc/79/94/23/710799423.db2.gz ZXEDALMCKCACLF-NSHDSACASA-N 0 0 239.384 3.755 20 0 BHADRN CCSCOc1ccc(Br)cc1 ZINC000382142860 710799166 /nfs/dbraw/zinc/79/91/66/710799166.db2.gz NBUAONGEQRULHR-UHFFFAOYSA-N 0 0 247.157 3.539 20 0 BHADRN CCSCOc1c(F)cccc1Cl ZINC000382146305 710799974 /nfs/dbraw/zinc/79/99/74/710799974.db2.gz NXFIQZPDOFXSRV-UHFFFAOYSA-N 0 0 220.696 3.569 20 0 BHADRN CSCSCc1cc(C)ccc1C ZINC000382147432 710800001 /nfs/dbraw/zinc/80/00/01/710800001.db2.gz OIGURNXHVDSXSN-UHFFFAOYSA-N 0 0 212.383 3.857 20 0 BHADRN COc1ccc(N[C@H]2CC3CCC2CC3)cc1F ZINC000382148901 710800064 /nfs/dbraw/zinc/80/00/64/710800064.db2.gz RCMVMCAMMAXIHY-MGULZYLOSA-N 0 0 249.329 3.825 20 0 BHADRN COc1ccc(N[C@@H]2CC3CCC2CC3)cc1F ZINC000382148904 710800096 /nfs/dbraw/zinc/80/00/96/710800096.db2.gz RCMVMCAMMAXIHY-QIMFLAQGSA-N 0 0 249.329 3.825 20 0 BHADRN CCOCSCc1ccccc1Cl ZINC000382153689 710801031 /nfs/dbraw/zinc/80/10/31/710801031.db2.gz QOBBQZYDMJIWKJ-UHFFFAOYSA-N 0 0 216.733 3.567 20 0 BHADRN CC[C@@H](Nc1ccc(OC)nc1)c1ccsc1 ZINC000382162240 367492384 /nfs/dbraw/zinc/49/23/84/367492384.db2.gz UTCBAHHBTLUARK-GFCCVEGCSA-N 0 0 248.351 3.715 20 0 BHADRN CC[C@H](Nc1ccc(OC)nc1)c1ccsc1 ZINC000382162244 367491797 /nfs/dbraw/zinc/49/17/97/367491797.db2.gz UTCBAHHBTLUARK-LBPRGKRZSA-N 0 0 248.351 3.715 20 0 BHADRN CSCSCc1ccc(SC)cc1 ZINC000382163534 710800715 /nfs/dbraw/zinc/80/07/15/710800715.db2.gz UFSHIQODGLZRCJ-UHFFFAOYSA-N 0 0 230.423 3.962 20 0 BHADRN CC(C)[C@@H](NCC(C)(F)F)c1ccccc1 ZINC000382175717 367493127 /nfs/dbraw/zinc/49/31/27/367493127.db2.gz XUWPOZXRSQJENB-GFCCVEGCSA-N 0 0 227.298 3.629 20 0 BHADRN CC(C)[C@H](NCC(C)(F)F)c1ccccc1 ZINC000382175720 367493231 /nfs/dbraw/zinc/49/32/31/367493231.db2.gz XUWPOZXRSQJENB-LBPRGKRZSA-N 0 0 227.298 3.629 20 0 BHADRN CCC[C@H](NCC(C)(F)F)c1ccsc1 ZINC000382177184 367493600 /nfs/dbraw/zinc/49/36/00/367493600.db2.gz YHBSGQORBWJSCH-JTQLQIEISA-N 0 0 233.327 3.834 20 0 BHADRN CCC[C@@H](NCC(C)(F)F)c1ccsc1 ZINC000382177185 367493111 /nfs/dbraw/zinc/49/31/11/367493111.db2.gz YHBSGQORBWJSCH-SNVBAGLBSA-N 0 0 233.327 3.834 20 0 BHADRN CSCSCCCCSCSC ZINC000382178807 710805880 /nfs/dbraw/zinc/80/58/80/710805880.db2.gz YTYPWUHVGWQJKX-UHFFFAOYSA-N 0 0 242.500 3.874 20 0 BHADRN CSCSCCSC(C)(C)C ZINC000382179965 710805750 /nfs/dbraw/zinc/80/57/50/710805750.db2.gz ZDLSXPYUOZGASG-UHFFFAOYSA-N 0 0 210.433 3.572 20 0 BHADRN Cc1cc(Cl)cc(CNC2(C(F)F)CC2)c1 ZINC000382194204 397919115 /nfs/dbraw/zinc/91/91/15/397919115.db2.gz CSQGAKWQSAQSAQ-UHFFFAOYSA-N 0 0 245.700 3.536 20 0 BHADRN C[C@H](Cc1ccc(Cl)cc1)NCC(C)(F)F ZINC000382199991 367497435 /nfs/dbraw/zinc/49/74/35/367497435.db2.gz DULSCSHWKLGAAC-SECBINFHSA-N 0 0 247.716 3.516 20 0 BHADRN C[C@@H](Cc1ccc(Cl)cc1)NCC(C)(F)F ZINC000382199993 367498428 /nfs/dbraw/zinc/49/84/28/367498428.db2.gz DULSCSHWKLGAAC-VIFPVBQESA-N 0 0 247.716 3.516 20 0 BHADRN Cc1csc(C(=O)NC2CCCCCC2)c1 ZINC000382202179 397921243 /nfs/dbraw/zinc/92/12/43/397921243.db2.gz SMESAPDKZGSQOW-UHFFFAOYSA-N 0 0 237.368 3.509 20 0 BHADRN C[C@]1(CNc2ccccc2F)CCCS1 ZINC000382203639 361781652 /nfs/dbraw/zinc/78/16/52/361781652.db2.gz JTFMTSGZNZDWDZ-GFCCVEGCSA-N 0 0 225.332 3.523 20 0 BHADRN C[C@@]1(CNc2ccccc2F)CCCS1 ZINC000382203641 361781711 /nfs/dbraw/zinc/78/17/11/361781711.db2.gz JTFMTSGZNZDWDZ-LBPRGKRZSA-N 0 0 225.332 3.523 20 0 BHADRN COCc1ccc(N[C@@H]2CC3CCC2CC3)cc1 ZINC000382204710 711553433 /nfs/dbraw/zinc/55/34/33/711553433.db2.gz ZWCYNFMJNAFSQK-LDZOIKDWSA-N 0 0 245.366 3.824 20 0 BHADRN COCc1ccc(N[C@H]2CC3CCC2CC3)cc1 ZINC000382204712 711553377 /nfs/dbraw/zinc/55/33/77/711553377.db2.gz ZWCYNFMJNAFSQK-PXCJXSSVSA-N 0 0 245.366 3.824 20 0 BHADRN C[C@H](Nc1ccccn1)[C@@H]1CC2CCC1CC2 ZINC000382261905 367501939 /nfs/dbraw/zinc/50/19/39/367501939.db2.gz YCOUFTCOKLVDPT-ABXWRUBCSA-N 0 0 230.355 3.708 20 0 BHADRN C[C@@H](Nc1ccccn1)[C@H]1CC2CCC1CC2 ZINC000382261916 367501455 /nfs/dbraw/zinc/50/14/55/367501455.db2.gz YCOUFTCOKLVDPT-BLYZHGLHSA-N 0 0 230.355 3.708 20 0 BHADRN C[C@H](Nc1ccccn1)[C@H]1CC2CCC1CC2 ZINC000382261918 367501214 /nfs/dbraw/zinc/50/12/14/367501214.db2.gz YCOUFTCOKLVDPT-GFJIZPEISA-N 0 0 230.355 3.708 20 0 BHADRN C[C@@H](Nc1ccccn1)[C@@H]1CC2CCC1CC2 ZINC000382261920 367501720 /nfs/dbraw/zinc/50/17/20/367501720.db2.gz YCOUFTCOKLVDPT-RYSNWHEDSA-N 0 0 230.355 3.708 20 0 BHADRN Cc1cccc(NC[C@@]2(C)CCCS2)c1 ZINC000382264779 487536720 /nfs/dbraw/zinc/53/67/20/487536720.db2.gz XXIPBMVRGCJRJG-CYBMUJFWSA-N 0 0 221.369 3.693 20 0 BHADRN Cc1cccc(NC[C@]2(C)CCCS2)c1 ZINC000382264780 487536324 /nfs/dbraw/zinc/53/63/24/487536324.db2.gz XXIPBMVRGCJRJG-ZDUSSCGKSA-N 0 0 221.369 3.693 20 0 BHADRN COc1ccccc1N[C@@H]1CC2CCC1CC2 ZINC000382266377 711575527 /nfs/dbraw/zinc/57/55/27/711575527.db2.gz MOVWHSOPWNCLKJ-ORHYLEIMSA-N 0 0 231.339 3.686 20 0 BHADRN COc1ccccc1N[C@H]1CC2CCC1CC2 ZINC000382266378 711575539 /nfs/dbraw/zinc/57/55/39/711575539.db2.gz MOVWHSOPWNCLKJ-YIZWMMSDSA-N 0 0 231.339 3.686 20 0 BHADRN COc1cccc(N[C@@H]2CC3CCC2CC3)c1 ZINC000382288784 711621392 /nfs/dbraw/zinc/62/13/92/711621392.db2.gz PNQFDRXHMXWZFA-KOHJWAIASA-N 0 0 231.339 3.686 20 0 BHADRN COc1cccc(N[C@H]2CC3CCC2CC3)c1 ZINC000382288788 711621257 /nfs/dbraw/zinc/62/12/57/711621257.db2.gz PNQFDRXHMXWZFA-QOZQQMKHSA-N 0 0 231.339 3.686 20 0 BHADRN CSCSCc1ccccc1Cl ZINC000382313711 711659730 /nfs/dbraw/zinc/65/97/30/711659730.db2.gz QYOAEPQVMDJFJX-UHFFFAOYSA-N 0 0 218.774 3.894 20 0 BHADRN CC(C)c1ccc(CNCC(C)(F)F)cc1 ZINC000382331450 367509364 /nfs/dbraw/zinc/50/93/64/367509364.db2.gz WPARKKMAJFLGJN-UHFFFAOYSA-N 0 0 227.298 3.555 20 0 BHADRN CCSCSc1cc(C)cc(C)n1 ZINC000382345100 711484879 /nfs/dbraw/zinc/48/48/79/711484879.db2.gz DQFYQXCHRSRCBW-UHFFFAOYSA-N 0 0 213.371 3.501 20 0 BHADRN Cc1cc(N[C@@H](C)C2CCC2)ccc1F ZINC000382367708 367511943 /nfs/dbraw/zinc/51/19/43/367511943.db2.gz CPGGGOPGADFDLU-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cc(N[C@H](C)C2CCC2)ccc1F ZINC000382367710 367512059 /nfs/dbraw/zinc/51/20/59/367512059.db2.gz CPGGGOPGADFDLU-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN CC(F)(F)CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000382382272 347301050 /nfs/dbraw/zinc/30/10/50/347301050.db2.gz JUTLEOSWPXSIGT-LLVKDONJSA-N 0 0 245.700 3.572 20 0 BHADRN CC(F)(F)CN[C@H]1CCc2cc(Cl)ccc21 ZINC000382382274 347301052 /nfs/dbraw/zinc/30/10/52/347301052.db2.gz JUTLEOSWPXSIGT-NSHDSACASA-N 0 0 245.700 3.572 20 0 BHADRN CCCCc1ccc(NC2CSC2)cc1 ZINC000382391937 539008792 /nfs/dbraw/zinc/00/87/92/539008792.db2.gz VHXSIDOWKOSTSA-UHFFFAOYSA-N 0 0 221.369 3.557 20 0 BHADRN F[C@@H]1CCCC[C@H]1NCc1cscc1Cl ZINC000382398138 487541441 /nfs/dbraw/zinc/54/14/41/487541441.db2.gz OVBCCBZFSRQEMU-GHMZBOCLSA-N 0 0 247.766 3.772 20 0 BHADRN CCC(C)(C)C(=O)COc1cc(C)ccc1F ZINC000382410832 367517376 /nfs/dbraw/zinc/51/73/76/367517376.db2.gz OVCFATFWSBNYCS-UHFFFAOYSA-N 0 0 238.302 3.518 20 0 BHADRN F[C@@H]1CCCC[C@H]1NCc1ccsc1Cl ZINC000382413149 367517470 /nfs/dbraw/zinc/51/74/70/367517470.db2.gz VEAQOHIRRXQVGE-NXEZZACHSA-N 0 0 247.766 3.772 20 0 BHADRN CCSc1cccc(CNCC(C)(F)F)c1 ZINC000382427556 367520752 /nfs/dbraw/zinc/52/07/52/367520752.db2.gz YUEVVUWSIRQNNF-UHFFFAOYSA-N 0 0 245.338 3.543 20 0 BHADRN CCC1(Nc2ncnc3ccsc32)CCCC1 ZINC000382540540 397955994 /nfs/dbraw/zinc/95/59/94/397955994.db2.gz ARVIOSJDVBNIGF-UHFFFAOYSA-N 0 0 247.367 3.826 20 0 BHADRN CCC1(Nc2cccc(F)c2C#N)CCCC1 ZINC000382542787 350857228 /nfs/dbraw/zinc/85/72/28/350857228.db2.gz DWCXLLGIEDBDEF-UHFFFAOYSA-N 0 0 232.302 3.832 20 0 BHADRN CCC1(NC(=O)c2cc(C)cs2)CCCC1 ZINC000382546176 367535834 /nfs/dbraw/zinc/53/58/34/367535834.db2.gz FZNLPRWBACRNIH-UHFFFAOYSA-N 0 0 237.368 3.509 20 0 BHADRN CCC1(Nc2cc(C(C)C)ncn2)CCCC1 ZINC000382556697 397957236 /nfs/dbraw/zinc/95/72/36/397957236.db2.gz IVMKBCKYHVLSRO-UHFFFAOYSA-N 0 0 233.359 3.735 20 0 BHADRN CCC1(Nc2nc3ccccc3o2)CCCC1 ZINC000382561754 397957937 /nfs/dbraw/zinc/95/79/37/397957937.db2.gz LZMAGNSGXLUFLF-UHFFFAOYSA-N 0 0 230.311 3.963 20 0 BHADRN CCC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000382562078 350879004 /nfs/dbraw/zinc/87/90/04/350879004.db2.gz LOLQYXFFIKIJOG-UHFFFAOYSA-N 0 0 234.299 3.730 20 0 BHADRN CCC1(NC(=O)c2ccc(C)cc2F)CCCC1 ZINC000382564981 367541366 /nfs/dbraw/zinc/54/13/66/367541366.db2.gz NNZVPCJBNZRVQD-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN CCC1(NC(=O)c2cc(C)ccc2F)CCCC1 ZINC000382566586 367541479 /nfs/dbraw/zinc/54/14/79/367541479.db2.gz OMDXBIDZANZJRC-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN CCC1(Nc2cc(C(C)(C)C)ncn2)CCCC1 ZINC000382574111 397960120 /nfs/dbraw/zinc/96/01/20/397960120.db2.gz UJKIAYJWCLUHAC-UHFFFAOYSA-N 0 0 247.386 3.909 20 0 BHADRN CCC1(NC(=O)c2ccc(F)c(C)c2)CCCC1 ZINC000382574142 367542028 /nfs/dbraw/zinc/54/20/28/367542028.db2.gz ULOFKEYTEGPNFO-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN CCC1(NC(=O)c2cccc(C)c2F)CCCC1 ZINC000382579699 367543887 /nfs/dbraw/zinc/54/38/87/367543887.db2.gz XEICHUIWMJQXHA-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN CCC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000382579796 350884031 /nfs/dbraw/zinc/88/40/31/350884031.db2.gz XGGCXZVKIJHMCG-UHFFFAOYSA-N 0 0 234.299 3.730 20 0 BHADRN CCC1(Nc2ncnc3sccc32)CCCC1 ZINC000382581091 397961960 /nfs/dbraw/zinc/96/19/60/397961960.db2.gz XXVINDKPTFJBQA-UHFFFAOYSA-N 0 0 247.367 3.826 20 0 BHADRN CCC1(NC(=O)c2ccc(F)cc2C)CCCC1 ZINC000382584079 367545215 /nfs/dbraw/zinc/54/52/15/367545215.db2.gz ZEUHTDWLCZZHEG-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc(N(C)C)c(Cl)c1 ZINC000382597915 711485395 /nfs/dbraw/zinc/48/53/95/711485395.db2.gz KYTZXHKSLHBMDX-BXKDBHETSA-N 0 0 238.762 3.616 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccc(N(C)C)c(Cl)c1 ZINC000382597916 711485400 /nfs/dbraw/zinc/48/54/00/711485400.db2.gz KYTZXHKSLHBMDX-CABZTGNLSA-N 0 0 238.762 3.616 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccc(N(C)C)c(Cl)c1 ZINC000382597917 711485344 /nfs/dbraw/zinc/48/53/44/711485344.db2.gz KYTZXHKSLHBMDX-JOYOIKCWSA-N 0 0 238.762 3.616 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc(N(C)C)c(Cl)c1 ZINC000382597919 711485419 /nfs/dbraw/zinc/48/54/19/711485419.db2.gz KYTZXHKSLHBMDX-SKDRFNHKSA-N 0 0 238.762 3.616 20 0 BHADRN CCC1(Nc2cc(Cl)nc(C)n2)CCCC1 ZINC000382598526 710973643 /nfs/dbraw/zinc/97/36/43/710973643.db2.gz LNVQSWMARUVTBZ-UHFFFAOYSA-N 0 0 239.750 3.573 20 0 BHADRN COCc1cccc(NC[C@H](C)CC(C)C)c1 ZINC000382667029 367552189 /nfs/dbraw/zinc/55/21/89/367552189.db2.gz MSYREWXDNHFMFO-CYBMUJFWSA-N 0 0 235.371 3.927 20 0 BHADRN COCc1cccc(NC[C@@H](C)CC(C)C)c1 ZINC000382667030 367553742 /nfs/dbraw/zinc/55/37/42/367553742.db2.gz MSYREWXDNHFMFO-ZDUSSCGKSA-N 0 0 235.371 3.927 20 0 BHADRN Cc1ccsc1C(=O)/C=C/c1ccccc1 ZINC000382676226 361974044 /nfs/dbraw/zinc/97/40/44/361974044.db2.gz RUYPTRYUYWTLPZ-BQYQJAHWSA-N 0 0 228.316 3.953 20 0 BHADRN Cc1ccsc1C(=O)/C=C\c1ccccc1 ZINC000382676227 710975235 /nfs/dbraw/zinc/97/52/35/710975235.db2.gz RUYPTRYUYWTLPZ-FPLPWBNLSA-N 0 0 228.316 3.953 20 0 BHADRN CCC1(CNc2ccsc2[N+](=O)[O-])CCC1 ZINC000382700215 350986801 /nfs/dbraw/zinc/98/68/01/350986801.db2.gz CNIGFERSXPVYLN-UHFFFAOYSA-N 0 0 240.328 3.649 20 0 BHADRN C[C@@H]1CCC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000382735308 351039231 /nfs/dbraw/zinc/03/92/31/351039231.db2.gz LDNZKGZJJRNYRY-BDAKNGLRSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@H]1CCC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000382735309 351039404 /nfs/dbraw/zinc/03/94/04/351039404.db2.gz LDNZKGZJJRNYRY-DTWKUNHWSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@H]1CCC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000382735310 351039274 /nfs/dbraw/zinc/03/92/74/351039274.db2.gz LDNZKGZJJRNYRY-IUCAKERBSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@@H]1CCC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000382735311 351039401 /nfs/dbraw/zinc/03/94/01/351039401.db2.gz LDNZKGZJJRNYRY-RKDXNWHRSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@@H]1CC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000382736477 351039298 /nfs/dbraw/zinc/03/92/98/351039298.db2.gz LILBLIUIFMYMSW-BDAKNGLRSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@H]1CC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000382736481 351039437 /nfs/dbraw/zinc/03/94/37/351039437.db2.gz LILBLIUIFMYMSW-DTWKUNHWSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@H]1CC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000382736484 351039392 /nfs/dbraw/zinc/03/93/92/351039392.db2.gz LILBLIUIFMYMSW-IUCAKERBSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@@H]1CC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000382736488 351039360 /nfs/dbraw/zinc/03/93/60/351039360.db2.gz LILBLIUIFMYMSW-RKDXNWHRSA-N 0 0 240.328 3.504 20 0 BHADRN COc1cc(C)c(-c2cnc(C)s2)cc1C ZINC000382742473 397971755 /nfs/dbraw/zinc/97/17/55/397971755.db2.gz DZXOWXOJUZXGFN-UHFFFAOYSA-N 0 0 233.336 3.744 20 0 BHADRN CCCCSc1nc(-c2ccccc2)c[nH]1 ZINC000382743196 397896862 /nfs/dbraw/zinc/89/68/62/397896862.db2.gz KECHMOWJCOXCDZ-UHFFFAOYSA-N 0 0 232.352 3.969 20 0 BHADRN CC[C@H](NC(=O)c1ccccc1F)C1CCCC1 ZINC000382777490 367556252 /nfs/dbraw/zinc/55/62/52/367556252.db2.gz PIOMGDJRCPFJQH-AWEZNQCLSA-N 0 0 249.329 3.524 20 0 BHADRN CC[C@@H](NC(=O)c1ccccc1F)C1CCCC1 ZINC000382777491 367555875 /nfs/dbraw/zinc/55/58/75/367555875.db2.gz PIOMGDJRCPFJQH-CQSZACIVSA-N 0 0 249.329 3.524 20 0 BHADRN CC(C)C(C)(C)CNc1ccsc1[N+](=O)[O-] ZINC000382788409 351050511 /nfs/dbraw/zinc/05/05/11/351050511.db2.gz XCTPLCWPZUTPIP-UHFFFAOYSA-N 0 0 242.344 3.750 20 0 BHADRN CC[C@H](C)Sc1nc(-c2ccccc2)c[nH]1 ZINC000382796120 351050397 /nfs/dbraw/zinc/05/03/97/351050397.db2.gz OUDOMCOJCAJGKW-JTQLQIEISA-N 0 0 232.352 3.967 20 0 BHADRN CC[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 ZINC000382796121 351050345 /nfs/dbraw/zinc/05/03/45/351050345.db2.gz OUDOMCOJCAJGKW-SNVBAGLBSA-N 0 0 232.352 3.967 20 0 BHADRN Cc1c(F)cccc1NCC1CC(F)(F)C1 ZINC000383015988 367585685 /nfs/dbraw/zinc/58/56/85/367585685.db2.gz CPOBXBDYWUWGBE-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN Cc1cccc(NCC2CC(F)(F)C2)c1C ZINC000383020032 367587414 /nfs/dbraw/zinc/58/74/14/367587414.db2.gz DMFSHVDJXIYKNR-UHFFFAOYSA-N 0 0 225.282 3.761 20 0 BHADRN CCc1csc(Sc2ccc(C#N)cc2)n1 ZINC000383029872 710841333 /nfs/dbraw/zinc/84/13/33/710841333.db2.gz KFWRYEJHIGDGRP-UHFFFAOYSA-N 0 0 246.360 3.728 20 0 BHADRN Cc1cc2ncn(CCSC(C)C)c2cc1C ZINC000383032976 367588505 /nfs/dbraw/zinc/58/85/05/367588505.db2.gz DPRRUAJLEUDJFO-UHFFFAOYSA-N 0 0 248.395 3.795 20 0 BHADRN COCc1cccc(NC[C@@H](C)C(C)(C)C)c1 ZINC000383042300 539011260 /nfs/dbraw/zinc/01/12/60/539011260.db2.gz HQDTYFIYEVPDDB-GFCCVEGCSA-N 0 0 235.371 3.927 20 0 BHADRN COCc1cccc(NC[C@H](C)C(C)(C)C)c1 ZINC000383042301 539011151 /nfs/dbraw/zinc/01/11/51/539011151.db2.gz HQDTYFIYEVPDDB-LBPRGKRZSA-N 0 0 235.371 3.927 20 0 BHADRN Cc1csc(C(=O)Nc2cc(F)ccc2C)c1 ZINC000383065010 367593466 /nfs/dbraw/zinc/59/34/66/367593466.db2.gz DMDJCROWFSAYIS-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN CCc1csc(Sc2cccc(C#N)c2)n1 ZINC000383075459 710946103 /nfs/dbraw/zinc/94/61/03/710946103.db2.gz STKPJNFASGMOTP-UHFFFAOYSA-N 0 0 246.360 3.728 20 0 BHADRN C[C@@H]1CCC[C@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000383085894 367595358 /nfs/dbraw/zinc/59/53/58/367595358.db2.gz VNUBXCMJNXZWCV-PSASIEDQSA-N 0 0 244.260 3.701 20 0 BHADRN C[C@@H]1CCC[C@@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000383085895 367594251 /nfs/dbraw/zinc/59/42/51/367594251.db2.gz VNUBXCMJNXZWCV-SCZZXKLOSA-N 0 0 244.260 3.701 20 0 BHADRN C[C@H]1CCC[C@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000383085897 367594838 /nfs/dbraw/zinc/59/48/38/367594838.db2.gz VNUBXCMJNXZWCV-WCBMZHEXSA-N 0 0 244.260 3.701 20 0 BHADRN C[C@H]1CCC[C@@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000383085900 367594872 /nfs/dbraw/zinc/59/48/72/367594872.db2.gz VNUBXCMJNXZWCV-WPRPVWTQSA-N 0 0 244.260 3.701 20 0 BHADRN CC(C)C[C@@H](C)CNc1ccc2c(c1)COC2 ZINC000383095428 367596277 /nfs/dbraw/zinc/59/62/77/367596277.db2.gz YHKWHJMGTIEMGL-GFCCVEGCSA-N 0 0 233.355 3.811 20 0 BHADRN CC(C)C[C@H](C)CNc1ccc2c(c1)COC2 ZINC000383095429 347699935 /nfs/dbraw/zinc/69/99/35/347699935.db2.gz YHKWHJMGTIEMGL-LBPRGKRZSA-N 0 0 233.355 3.811 20 0 BHADRN C[C@@H](Nc1ccc(OC(F)F)cc1)C1CCC1 ZINC000383095964 711666543 /nfs/dbraw/zinc/66/65/43/711666543.db2.gz MLZONNAUWXKHMC-SECBINFHSA-N 0 0 241.281 3.889 20 0 BHADRN C[C@H](Nc1ccc(OC(F)F)cc1)C1CCC1 ZINC000383095966 711666590 /nfs/dbraw/zinc/66/65/90/711666590.db2.gz MLZONNAUWXKHMC-VIFPVBQESA-N 0 0 241.281 3.889 20 0 BHADRN Cc1ccc(OCC2CC(F)(F)C2)c(C)c1 ZINC000383096312 367596250 /nfs/dbraw/zinc/59/62/50/367596250.db2.gz DCMPEGDUZAYBBF-UHFFFAOYSA-N 0 0 226.266 3.728 20 0 BHADRN Cc1csc(C(=O)Nc2cccc(C)c2F)c1 ZINC000383099780 367596223 /nfs/dbraw/zinc/59/62/23/367596223.db2.gz NUYVPURBBMJRIZ-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN Cc1csc(C(=O)Nc2c(C)cccc2F)c1 ZINC000383100751 367596401 /nfs/dbraw/zinc/59/64/01/367596401.db2.gz OAQZRTWRVSACJY-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN CN(Cc1cccc(O)c1Cl)c1ccccc1 ZINC000383101184 397942539 /nfs/dbraw/zinc/94/25/39/397942539.db2.gz BTOBLOXMARWNAG-UHFFFAOYSA-N 0 0 247.725 3.682 20 0 BHADRN Cc1cccc(C)c1OCC1CC(F)(F)C1 ZINC000383104162 367595918 /nfs/dbraw/zinc/59/59/18/367595918.db2.gz GDTQDQCWKZEWBM-UHFFFAOYSA-N 0 0 226.266 3.728 20 0 BHADRN FC1(F)CC(COc2ccccc2Cl)C1 ZINC000383105401 367596967 /nfs/dbraw/zinc/59/69/67/367596967.db2.gz GNESWGVOVPFLIU-UHFFFAOYSA-N 0 0 232.657 3.764 20 0 BHADRN FC1(F)CC(COc2ccc3[nH]ccc3c2)C1 ZINC000383115764 367598152 /nfs/dbraw/zinc/59/81/52/367598152.db2.gz IOGUFYVOFNIUNJ-UHFFFAOYSA-N 0 0 237.249 3.592 20 0 BHADRN CCn1cc(N[C@@H](CCC(C)C)C2CC2)cn1 ZINC000383116456 367597405 /nfs/dbraw/zinc/59/74/05/367597405.db2.gz GHXKZCAQCXTGSV-AWEZNQCLSA-N 0 0 235.375 3.530 20 0 BHADRN CCn1cc(N[C@H](CCC(C)C)C2CC2)cn1 ZINC000383116457 367597378 /nfs/dbraw/zinc/59/73/78/367597378.db2.gz GHXKZCAQCXTGSV-CQSZACIVSA-N 0 0 235.375 3.530 20 0 BHADRN Cc1csc(C[NH2+]Cc2cccc(C)c2C)c1 ZINC000383120508 352446677 /nfs/dbraw/zinc/44/66/77/352446677.db2.gz SVCKRQUPMMZDIV-UHFFFAOYSA-N 0 0 245.391 3.963 20 0 BHADRN Cc1ccc(OCC2CC(F)(F)C2)cc1C ZINC000383121022 367598259 /nfs/dbraw/zinc/59/82/59/367598259.db2.gz JHCCOGMRFFRQMC-UHFFFAOYSA-N 0 0 226.266 3.728 20 0 BHADRN Cc1ccc(F)cc1OCC1CC(F)(F)C1 ZINC000383123146 367598125 /nfs/dbraw/zinc/59/81/25/367598125.db2.gz JPQHDNZJAGEIOQ-UHFFFAOYSA-N 0 0 230.229 3.558 20 0 BHADRN Cc1csc(C(=O)Nc2ccc(C)cc2F)c1 ZINC000383123772 367598251 /nfs/dbraw/zinc/59/82/51/367598251.db2.gz UCFDJKYPFSMAQV-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN Cc1ccc(C)c(NCC2CC(F)(F)C2)c1 ZINC000383125804 367599169 /nfs/dbraw/zinc/59/91/69/367599169.db2.gz HJQNAFJJRJAEJE-UHFFFAOYSA-N 0 0 225.282 3.761 20 0 BHADRN COCc1ccc(N[C@@H](C)CC2CCC2)cc1 ZINC000383128768 710977807 /nfs/dbraw/zinc/97/78/07/710977807.db2.gz MMMBZJDDOJXLTG-LBPRGKRZSA-N 0 0 233.355 3.824 20 0 BHADRN Cc1ccc(NCC2CC(F)(F)C2)cc1F ZINC000383132737 358040206 /nfs/dbraw/zinc/04/02/06/358040206.db2.gz INBPRNXTRTUDIH-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN Cc1csc(C(=O)N(C)c2cccc(C)c2)c1 ZINC000383133013 367599905 /nfs/dbraw/zinc/59/99/05/367599905.db2.gz VSRDUHZVZYHUHL-UHFFFAOYSA-N 0 0 245.347 3.642 20 0 BHADRN FC1(F)CC(COc2ccc(Cl)cc2)C1 ZINC000383136492 367599610 /nfs/dbraw/zinc/59/96/10/367599610.db2.gz LNOXHVWEJBLJED-UHFFFAOYSA-N 0 0 232.657 3.764 20 0 BHADRN FC1(F)CC(COc2cccc(Cl)c2)C1 ZINC000383137906 367599141 /nfs/dbraw/zinc/59/91/41/367599141.db2.gz LUPHTVHNZOCQOQ-UHFFFAOYSA-N 0 0 232.657 3.764 20 0 BHADRN Cc1cccc(OCC2CC(F)(F)C2)c1C ZINC000383142740 367600963 /nfs/dbraw/zinc/60/09/63/367600963.db2.gz MRKXZRMAOROLKC-UHFFFAOYSA-N 0 0 226.266 3.728 20 0 BHADRN FC1(F)CC(CNc2nccc3ccccc32)C1 ZINC000383144417 367600473 /nfs/dbraw/zinc/60/04/73/367600473.db2.gz GFFRPQNQOHLNHR-UHFFFAOYSA-N 0 0 248.276 3.692 20 0 BHADRN C[C@@H](Nc1ccc(C(F)(F)F)nc1)C1CCC1 ZINC000383146481 711729946 /nfs/dbraw/zinc/72/99/46/711729946.db2.gz YVKGAGRZKPIRNW-MRVPVSSYSA-N 0 0 244.260 3.701 20 0 BHADRN C[C@H](Nc1ccc(C(F)(F)F)nc1)C1CCC1 ZINC000383146483 711729962 /nfs/dbraw/zinc/72/99/62/711729962.db2.gz YVKGAGRZKPIRNW-QMMMGPOBSA-N 0 0 244.260 3.701 20 0 BHADRN CCc1ccc(NCC2CC(F)(F)C2)cc1 ZINC000383147066 367600787 /nfs/dbraw/zinc/60/07/87/367600787.db2.gz LDOMRBHVAOTWTC-UHFFFAOYSA-N 0 0 225.282 3.706 20 0 BHADRN Cc1cc(N(C)C)ccc1N[C@H](C)C1CCC1 ZINC000383147329 710977556 /nfs/dbraw/zinc/97/75/56/710977556.db2.gz ZABTVRKUIVJVAO-GFCCVEGCSA-N 0 0 232.371 3.662 20 0 BHADRN Cc1cc(N(C)C)ccc1N[C@@H](C)C1CCC1 ZINC000383147338 710977815 /nfs/dbraw/zinc/97/78/15/710977815.db2.gz ZABTVRKUIVJVAO-LBPRGKRZSA-N 0 0 232.371 3.662 20 0 BHADRN Cc1csc(C(=O)Nc2ccc(F)c(C)c2)c1 ZINC000383148163 367600596 /nfs/dbraw/zinc/60/05/96/367600596.db2.gz ZFCBQZZYMNUAND-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN Cc1cc(F)ccc1OCC1CC(F)(F)C1 ZINC000383149473 367601302 /nfs/dbraw/zinc/60/13/02/367601302.db2.gz OEGKSPJKVLFXAK-UHFFFAOYSA-N 0 0 230.229 3.558 20 0 BHADRN Cc1ccc(F)c(OCC2CC(F)(F)C2)c1 ZINC000383150794 367600723 /nfs/dbraw/zinc/60/07/23/367600723.db2.gz OIJZFLOMKGFBPC-UHFFFAOYSA-N 0 0 230.229 3.558 20 0 BHADRN Cc1cc(C)cc(NCC2CC(F)(F)C2)c1 ZINC000383151915 367600575 /nfs/dbraw/zinc/60/05/75/367600575.db2.gz MDGOVGJQFYFGSN-UHFFFAOYSA-N 0 0 225.282 3.761 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)Nc2ccccc2)CC1 ZINC000383153512 367602673 /nfs/dbraw/zinc/60/26/73/367602673.db2.gz KDTBWVXTGPJGNA-JOCQHMNTSA-N 0 0 231.339 3.842 20 0 BHADRN Cc1csc(C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000383158540 411485145 /nfs/dbraw/zinc/48/51/45/411485145.db2.gz BZJFBLNLMJDROS-UHFFFAOYSA-N 0 0 245.347 3.926 20 0 BHADRN Cc1cccc(C)c1NCC1CC(F)(F)C1 ZINC000383159613 367602635 /nfs/dbraw/zinc/60/26/35/367602635.db2.gz NMGSCXZPHIIOAY-UHFFFAOYSA-N 0 0 225.282 3.761 20 0 BHADRN FC1(F)CC(COc2cccc3cccnc32)C1 ZINC000383162896 367602200 /nfs/dbraw/zinc/60/22/00/367602200.db2.gz QPHMXNZYJDIDCK-UHFFFAOYSA-N 0 0 249.260 3.659 20 0 BHADRN Cc1ccc(C)c(OCC2CC(F)(F)C2)c1 ZINC000383164877 367602295 /nfs/dbraw/zinc/60/22/95/367602295.db2.gz RAGNGVICLRWGNP-UHFFFAOYSA-N 0 0 226.266 3.728 20 0 BHADRN FC1(F)CC(CNc2cccc(Cl)c2)C1 ZINC000383167721 367603993 /nfs/dbraw/zinc/60/39/93/367603993.db2.gz PBTUCQTXJBISCT-UHFFFAOYSA-N 0 0 231.673 3.797 20 0 BHADRN Cc1ccc(NCC2CC(F)(F)C2)cc1C ZINC000383173382 367603805 /nfs/dbraw/zinc/60/38/05/367603805.db2.gz QCBNIALSOLLGPB-UHFFFAOYSA-N 0 0 225.282 3.761 20 0 BHADRN FC1(F)CC(CNc2ccc(Cl)cc2)C1 ZINC000383175099 367604142 /nfs/dbraw/zinc/60/41/42/367604142.db2.gz QJRKMCKAVIMQPF-UHFFFAOYSA-N 0 0 231.673 3.797 20 0 BHADRN Cc1cccc(NCC2CC(F)(F)C2)c1F ZINC000383176302 367604173 /nfs/dbraw/zinc/60/41/73/367604173.db2.gz QPNJJZLBULXXGW-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN Cc1cc(F)cc(NCC2CC(F)(F)C2)c1 ZINC000383177443 367604449 /nfs/dbraw/zinc/60/44/49/367604449.db2.gz QTQKBFSVNKGHTC-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN Cc1cc(NCC2CC(F)(F)C2)ccc1F ZINC000383179773 367604382 /nfs/dbraw/zinc/60/43/82/367604382.db2.gz RIIIEABTYMNOKP-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN Cc1ccc(OCC2CC(F)(F)C2)cc1F ZINC000383182686 367605526 /nfs/dbraw/zinc/60/55/26/367605526.db2.gz VFFGZXGQRKNGLT-UHFFFAOYSA-N 0 0 230.229 3.558 20 0 BHADRN Cc1cc(C)cc(OCC2CC(F)(F)C2)c1 ZINC000383187245 367605882 /nfs/dbraw/zinc/60/58/82/367605882.db2.gz VZICLQYONRQVOS-UHFFFAOYSA-N 0 0 226.266 3.728 20 0 BHADRN Cc1cc(F)c(F)cc1OCC1CC(F)(F)C1 ZINC000383189742 710978907 /nfs/dbraw/zinc/97/89/07/710978907.db2.gz WMYBFUOJXOLTOI-UHFFFAOYSA-N 0 0 248.219 3.697 20 0 BHADRN Cc1cc(F)ccc1NCC1CC(F)(F)C1 ZINC000383190505 367605359 /nfs/dbraw/zinc/60/53/59/367605359.db2.gz UGCWUAJCRQJNNI-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN FC1(F)CC(CNc2ccccc2Cl)C1 ZINC000383192817 367605132 /nfs/dbraw/zinc/60/51/32/367605132.db2.gz URHPSSDRBSBJOP-UHFFFAOYSA-N 0 0 231.673 3.797 20 0 BHADRN Cc1ccc(F)c(NCC2CC(F)(F)C2)c1 ZINC000383209886 367606426 /nfs/dbraw/zinc/60/64/26/367606426.db2.gz YRYIYVICWGFOLN-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN Fc1ccc(Cl)c(NCC2CC(F)(F)C2)c1 ZINC000383213071 367606987 /nfs/dbraw/zinc/60/69/87/367606987.db2.gz BDQCWHGZEJWIGW-UHFFFAOYSA-N 0 0 249.663 3.936 20 0 BHADRN Cc1ccc(F)cc1NCC1CC(F)(F)C1 ZINC000383214471 347963690 /nfs/dbraw/zinc/96/36/90/347963690.db2.gz ZPHCTOPSDFEXSA-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN CCc1ccccc1NCC1CC(F)(F)C1 ZINC000383216019 367606394 /nfs/dbraw/zinc/60/63/94/367606394.db2.gz ZUYWWRPDEHRUBQ-UHFFFAOYSA-N 0 0 225.282 3.706 20 0 BHADRN Fc1ccc(NCC2CC(F)(F)C2)cc1Cl ZINC000383217583 367607185 /nfs/dbraw/zinc/60/71/85/367607185.db2.gz BWVVWOLBPKMYDB-UHFFFAOYSA-N 0 0 249.663 3.936 20 0 BHADRN Cc1csc(C(=O)Nc2cc(C)ccc2C)c1 ZINC000383226896 398257365 /nfs/dbraw/zinc/25/73/65/398257365.db2.gz MCFOODBPTHTBTO-UHFFFAOYSA-N 0 0 245.347 3.926 20 0 BHADRN CCc1cc(NCc2cnc(C)s2)ccc1C ZINC000383227932 710979380 /nfs/dbraw/zinc/97/93/80/710979380.db2.gz PEGOPHQBHFFBAU-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CCc1cccc(OCc2cccnc2C)c1 ZINC000383230012 539011785 /nfs/dbraw/zinc/01/17/85/539011785.db2.gz BTYQATZKNKGJHL-UHFFFAOYSA-N 0 0 227.307 3.531 20 0 BHADRN COCc1ccc(NC[C@H](C)CC(C)C)cc1 ZINC000383236050 711485425 /nfs/dbraw/zinc/48/54/25/711485425.db2.gz CTTAXTMMDFDBKG-CYBMUJFWSA-N 0 0 235.371 3.927 20 0 BHADRN COCc1ccc(NC[C@@H](C)CC(C)C)cc1 ZINC000383236052 711485368 /nfs/dbraw/zinc/48/53/68/711485368.db2.gz CTTAXTMMDFDBKG-ZDUSSCGKSA-N 0 0 235.371 3.927 20 0 BHADRN CCc1ccc(COc2ccc(Cl)cc2)nc1 ZINC000383243758 367608499 /nfs/dbraw/zinc/60/84/99/367608499.db2.gz PQPWEZRESPVJFK-UHFFFAOYSA-N 0 0 247.725 3.876 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCC(C)(C)C2)C1 ZINC000383265067 367609471 /nfs/dbraw/zinc/60/94/71/367609471.db2.gz MKVJAGWPHKSFGE-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC(C)(C)C2)C1 ZINC000383265069 367609022 /nfs/dbraw/zinc/60/90/22/367609022.db2.gz MKVJAGWPHKSFGE-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC(C)(C)C2)C1 ZINC000383265072 367609723 /nfs/dbraw/zinc/60/97/23/367609723.db2.gz MKVJAGWPHKSFGE-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC(C)(C)C2)C1 ZINC000383265074 367609352 /nfs/dbraw/zinc/60/93/52/367609352.db2.gz MKVJAGWPHKSFGE-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN Cc1cc(C#N)ccc1NCCCC(F)(F)F ZINC000383265162 711494282 /nfs/dbraw/zinc/49/42/82/711494282.db2.gz GNERSXYQKWYEQZ-UHFFFAOYSA-N 0 0 242.244 3.621 20 0 BHADRN CCCCC[C@@H](C)Nc1cn(C)nc1C(C)C ZINC000383278768 711505607 /nfs/dbraw/zinc/50/56/07/711505607.db2.gz IECTZRSHYYYAJG-GFCCVEGCSA-N 0 0 237.391 3.924 20 0 BHADRN CCCCC[C@H](C)Nc1cn(C)nc1C(C)C ZINC000383278769 711505483 /nfs/dbraw/zinc/50/54/83/711505483.db2.gz IECTZRSHYYYAJG-LBPRGKRZSA-N 0 0 237.391 3.924 20 0 BHADRN CCc1csc(SCCCCC(C)=O)n1 ZINC000383286149 711523573 /nfs/dbraw/zinc/52/35/73/711523573.db2.gz WRWPLXKFSHJDJP-UHFFFAOYSA-N 0 0 243.397 3.557 20 0 BHADRN Cc1ccc(Cl)c(OCc2cccc(C)n2)c1 ZINC000383314234 367612369 /nfs/dbraw/zinc/61/23/69/367612369.db2.gz AUGNTSAEBBKEBV-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN Fc1ccc(OCCc2ccccc2)c(F)c1 ZINC000383322799 348260004 /nfs/dbraw/zinc/26/00/04/348260004.db2.gz SRUOOATYICFCID-UHFFFAOYSA-N 0 0 234.245 3.586 20 0 BHADRN C[C@@H](Nc1ccc2ncccc2c1)C1CCC1 ZINC000383348122 367615666 /nfs/dbraw/zinc/61/56/66/367615666.db2.gz UCEPVJYNTQZPJH-LLVKDONJSA-N 0 0 226.323 3.835 20 0 BHADRN C[C@H](Nc1ccc2ncccc2c1)C1CCC1 ZINC000383348145 367615198 /nfs/dbraw/zinc/61/51/98/367615198.db2.gz UCEPVJYNTQZPJH-NSHDSACASA-N 0 0 226.323 3.835 20 0 BHADRN Fc1cc(Cl)cc(NCC2CC(F)(F)C2)c1 ZINC000383358743 367617019 /nfs/dbraw/zinc/61/70/19/367617019.db2.gz GEKIDMPFRYIBBZ-UHFFFAOYSA-N 0 0 249.663 3.936 20 0 BHADRN 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367634678 /nfs/dbraw/zinc/63/46/78/367634678.db2.gz NBVJFTLYZJMXSN-UHFFFAOYSA-N 0 0 249.663 3.936 20 0 BHADRN Fc1cc(NCC2CC(F)(F)C2)ccc1Cl ZINC000383535587 367634961 /nfs/dbraw/zinc/63/49/61/367634961.db2.gz NNBAQBPCNCKDKK-UHFFFAOYSA-N 0 0 249.663 3.936 20 0 BHADRN Fc1ccc(NCC2CC(F)(F)C2)c(Cl)c1 ZINC000383557182 367639701 /nfs/dbraw/zinc/63/97/01/367639701.db2.gz RLUFSMAHDYUPMR-UHFFFAOYSA-N 0 0 249.663 3.936 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCCO2)c1ccco1 ZINC000383569016 710982742 /nfs/dbraw/zinc/98/27/42/710982742.db2.gz ARACIMWNIZKMBT-LLVKDONJSA-N 0 0 243.306 3.778 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCCO2)c1ccco1 ZINC000383569017 710982966 /nfs/dbraw/zinc/98/29/66/710982966.db2.gz ARACIMWNIZKMBT-NSHDSACASA-N 0 0 243.306 3.778 20 0 BHADRN Fc1cccc(Cl)c1NCC1CC(F)(F)C1 ZINC000383597896 367643020 /nfs/dbraw/zinc/64/30/20/367643020.db2.gz YZMFEEVWHPWPRL-UHFFFAOYSA-N 0 0 249.663 3.936 20 0 BHADRN c1cc2c(cc1NC(C1CC1)C1CC1)CCCO2 ZINC000383601743 710984221 /nfs/dbraw/zinc/98/42/21/710984221.db2.gz 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ZINC000384593492 367705817 /nfs/dbraw/zinc/70/58/17/367705817.db2.gz MTSFJIDEMDXXBC-ZDUSSCGKSA-N 0 0 240.350 3.566 20 0 BHADRN C[C@H](Cn1cnc2ccccc21)c1ccccc1 ZINC000384608654 367707414 /nfs/dbraw/zinc/70/74/14/367707414.db2.gz OQQLWJMSMJKOBM-CYBMUJFWSA-N 0 0 236.318 3.840 20 0 BHADRN C[C@@H](Cn1cnc2ccccc21)c1ccccc1 ZINC000384608656 367707392 /nfs/dbraw/zinc/70/73/92/367707392.db2.gz OQQLWJMSMJKOBM-ZDUSSCGKSA-N 0 0 236.318 3.840 20 0 BHADRN CC(C)c1ccc(N[C@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000384640654 367710489 /nfs/dbraw/zinc/71/04/89/367710489.db2.gz ASPSADPEXVNTNJ-JMSVASOKSA-N 0 0 233.355 3.788 20 0 BHADRN CC(C)c1ccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000384640655 367710057 /nfs/dbraw/zinc/71/00/57/367710057.db2.gz ASPSADPEXVNTNJ-LALPHHSUSA-N 0 0 233.355 3.788 20 0 BHADRN CC(C)c1ccc(N[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000384640656 367710127 /nfs/dbraw/zinc/71/01/27/367710127.db2.gz ASPSADPEXVNTNJ-TYNCELHUSA-N 0 0 233.355 3.788 20 0 BHADRN CC(C)c1ccc(N[C@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000384640657 367710442 /nfs/dbraw/zinc/71/04/42/367710442.db2.gz ASPSADPEXVNTNJ-XUJVJEKNSA-N 0 0 233.355 3.788 20 0 BHADRN CC/C=C\C[NH2+][C@H](CC)c1cccs1 ZINC000384730451 350494564 /nfs/dbraw/zinc/49/45/64/350494564.db2.gz JLQVSXNJQTVMST-ISALQUGTSA-N 0 0 209.358 3.755 20 0 BHADRN CC/C=C/C[NH2+][C@H](CC)c1cccs1 ZINC000384730452 350495025 /nfs/dbraw/zinc/49/50/25/350495025.db2.gz JLQVSXNJQTVMST-MVIFTORASA-N 0 0 209.358 3.755 20 0 BHADRN CC/C=C/C[NH2+][C@@H](CC)c1cccs1 ZINC000384730453 350495216 /nfs/dbraw/zinc/49/52/16/350495216.db2.gz JLQVSXNJQTVMST-QRGHLMKCSA-N 0 0 209.358 3.755 20 0 BHADRN CCc1ccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)cc1C ZINC000384739285 367724668 /nfs/dbraw/zinc/72/46/68/367724668.db2.gz LAMHPCXGTAPAGG-LALPHHSUSA-N 0 0 233.355 3.535 20 0 BHADRN CCc1ccc(N[C@@H]2C[C@H](C)O[C@H]2C)cc1C ZINC000384739288 367725447 /nfs/dbraw/zinc/72/54/47/367725447.db2.gz LAMHPCXGTAPAGG-SLEUVZQESA-N 0 0 233.355 3.535 20 0 BHADRN CCc1ccc(N[C@@H]2C[C@@H](C)O[C@H]2C)cc1C ZINC000384739290 367725440 /nfs/dbraw/zinc/72/54/40/367725440.db2.gz LAMHPCXGTAPAGG-TYNCELHUSA-N 0 0 233.355 3.535 20 0 BHADRN CCc1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)cc1C ZINC000384739292 367725614 /nfs/dbraw/zinc/72/56/14/367725614.db2.gz LAMHPCXGTAPAGG-YWPYICTPSA-N 0 0 233.355 3.535 20 0 BHADRN C/C=C\CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000384772355 356744409 /nfs/dbraw/zinc/74/44/09/356744409.db2.gz RZIUPGQKNWFTRS-IHWYPQMZSA-N 0 0 242.225 3.520 20 0 BHADRN C/C=C/CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000384772356 356745596 /nfs/dbraw/zinc/74/55/96/356745596.db2.gz RZIUPGQKNWFTRS-NSCUHMNNSA-N 0 0 242.225 3.520 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc3ccccc3c2)[C@H](C)O1 ZINC000384783954 710997324 /nfs/dbraw/zinc/99/73/24/710997324.db2.gz QIWFIEGBNLYZJO-BFQNTYOBSA-N 0 0 241.334 3.818 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc3ccccc3c2)[C@@H](C)O1 ZINC000384783955 710997222 /nfs/dbraw/zinc/99/72/22/710997222.db2.gz QIWFIEGBNLYZJO-HSMVNMDESA-N 0 0 241.334 3.818 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc3ccccc3c2)[C@H](C)O1 ZINC000384783956 710996421 /nfs/dbraw/zinc/99/64/21/710996421.db2.gz QIWFIEGBNLYZJO-WQGACYEGSA-N 0 0 241.334 3.818 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc3ccccc3c2)[C@@H](C)O1 ZINC000384783957 710996861 /nfs/dbraw/zinc/99/68/61/710996861.db2.gz QIWFIEGBNLYZJO-XHBSWPGZSA-N 0 0 241.334 3.818 20 0 BHADRN COC(=O)C[C@@H](C)SCCC1=CCCCC1 ZINC000384824452 367737409 /nfs/dbraw/zinc/73/74/09/367737409.db2.gz CWNVJTJFFRUJLM-LLVKDONJSA-N 0 0 242.384 3.562 20 0 BHADRN COC(=O)C[C@H](C)SCCC1=CCCCC1 ZINC000384824457 367737825 /nfs/dbraw/zinc/73/78/25/367737825.db2.gz CWNVJTJFFRUJLM-NSHDSACASA-N 0 0 242.384 3.562 20 0 BHADRN C[C@H](CC(C)(C)C)Nc1cccc(CCCO)c1 ZINC000384826068 367737761 /nfs/dbraw/zinc/73/77/61/367737761.db2.gz XDGKLXCIYWIMON-CYBMUJFWSA-N 0 0 249.398 3.848 20 0 BHADRN C[C@@H](CC(C)(C)C)Nc1cccc(CCCO)c1 ZINC000384826083 367737015 /nfs/dbraw/zinc/73/70/15/367737015.db2.gz XDGKLXCIYWIMON-ZDUSSCGKSA-N 0 0 249.398 3.848 20 0 BHADRN CC/C=C/C[NH2+][C@@H]1CCCc2sccc21 ZINC000384841991 350595278 /nfs/dbraw/zinc/59/52/78/350595278.db2.gz JGMRFKCKFIUVAD-AAOUONPWSA-N 0 0 221.369 3.681 20 0 BHADRN CC/C=C\C[NH2+][C@H]1CCCc2sccc21 ZINC000384841992 350595359 /nfs/dbraw/zinc/59/53/59/350595359.db2.gz JGMRFKCKFIUVAD-MVZIDQBPSA-N 0 0 221.369 3.681 20 0 BHADRN CC/C=C/C[NH2+][C@H]1CCCc2sccc21 ZINC000384841993 350595437 /nfs/dbraw/zinc/59/54/37/350595437.db2.gz JGMRFKCKFIUVAD-PCAWENJQSA-N 0 0 221.369 3.681 20 0 BHADRN CC/C=C\C[NH2+][C@@H]1CCCc2sccc21 ZINC000384841994 350595416 /nfs/dbraw/zinc/59/54/16/350595416.db2.gz JGMRFKCKFIUVAD-VSQXVHSFSA-N 0 0 221.369 3.681 20 0 BHADRN Cc1ccc(NCc2ccncc2C)c(C)c1 ZINC000384875986 367747566 /nfs/dbraw/zinc/74/75/66/367747566.db2.gz SCWGXBINYOPXCK-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN CCc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1C ZINC000384889691 367752110 /nfs/dbraw/zinc/75/21/10/367752110.db2.gz KPSRWUSBYTYIJM-LALPHHSUSA-N 0 0 233.355 3.535 20 0 BHADRN CCc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)ccc1C ZINC000384889692 367751702 /nfs/dbraw/zinc/75/17/02/367751702.db2.gz KPSRWUSBYTYIJM-SLEUVZQESA-N 0 0 233.355 3.535 20 0 BHADRN CCc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)ccc1C ZINC000384889693 367752128 /nfs/dbraw/zinc/75/21/28/367752128.db2.gz KPSRWUSBYTYIJM-TYNCELHUSA-N 0 0 233.355 3.535 20 0 BHADRN CCc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)ccc1C ZINC000384889694 367752086 /nfs/dbraw/zinc/75/20/86/367752086.db2.gz KPSRWUSBYTYIJM-YWPYICTPSA-N 0 0 233.355 3.535 20 0 BHADRN CCc1ccc(NCc2ccncc2C)cc1C ZINC000384906152 367754787 /nfs/dbraw/zinc/75/47/87/367754787.db2.gz AKYOLCQLUHASPU-UHFFFAOYSA-N 0 0 240.350 3.873 20 0 BHADRN CCCc1ccc(NCc2ccncc2C)cc1 ZINC000384915705 711000311 /nfs/dbraw/zinc/00/03/11/711000311.db2.gz DBWUPSNREUFRME-UHFFFAOYSA-N 0 0 240.350 3.955 20 0 BHADRN Cc1cc(C)c(NCc2ccncc2C)c(C)c1 ZINC000384919427 367757173 /nfs/dbraw/zinc/75/71/73/367757173.db2.gz FANDYLWLYIINBX-UHFFFAOYSA-N 0 0 240.350 3.927 20 0 BHADRN FC(F)(F)c1ccn(CCC2=CCCCC2)n1 ZINC000384942675 367761179 /nfs/dbraw/zinc/76/11/79/367761179.db2.gz KECKITJJIQLKRV-UHFFFAOYSA-N 0 0 244.260 3.792 20 0 BHADRN O=C(NC1CCCCC1)C(C1CCC1)C1CCC1 ZINC000384980908 367768937 /nfs/dbraw/zinc/76/89/37/367768937.db2.gz NHCJXIKSMPGEPK-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN c1nc2c(n1CCC1=CCCCC1)CCCC2 ZINC000384986942 367769948 /nfs/dbraw/zinc/76/99/48/367769948.db2.gz SDBHDYYUPLWYIW-UHFFFAOYSA-N 0 0 230.355 3.652 20 0 BHADRN CCCN(Cc1ccc(C)cc1)C(=O)C=C(C)C ZINC000385065769 711004844 /nfs/dbraw/zinc/00/48/44/711004844.db2.gz HFHYSZAJJPXTKP-UHFFFAOYSA-N 0 0 245.366 3.700 20 0 BHADRN CCCc1ccccc1NCc1ccncc1C ZINC000385069072 367783186 /nfs/dbraw/zinc/78/31/86/367783186.db2.gz VXFMOYWXEYUYTG-UHFFFAOYSA-N 0 0 240.350 3.955 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc2oc(C3CC3)nc2c1 ZINC000385077008 711004124 /nfs/dbraw/zinc/00/41/24/711004124.db2.gz JITHFNJHTZZKTJ-BXKDBHETSA-N 0 0 242.322 3.916 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccc2oc(C3CC3)nc2c1 ZINC000385077010 711004736 /nfs/dbraw/zinc/00/47/36/711004736.db2.gz JITHFNJHTZZKTJ-CABZTGNLSA-N 0 0 242.322 3.916 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccc2oc(C3CC3)nc2c1 ZINC000385077014 711003900 /nfs/dbraw/zinc/00/39/00/711003900.db2.gz JITHFNJHTZZKTJ-JOYOIKCWSA-N 0 0 242.322 3.916 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc2oc(C3CC3)nc2c1 ZINC000385077017 711003991 /nfs/dbraw/zinc/00/39/91/711003991.db2.gz JITHFNJHTZZKTJ-SKDRFNHKSA-N 0 0 242.322 3.916 20 0 BHADRN CCc1cc(NCc2ccncc2C)ccc1C ZINC000385077731 356892758 /nfs/dbraw/zinc/89/27/58/356892758.db2.gz XZKTZASKFONINU-UHFFFAOYSA-N 0 0 240.350 3.873 20 0 BHADRN C/C=C/C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000385094506 344323827 /nfs/dbraw/zinc/32/38/27/344323827.db2.gz YNVGCFSVMPXRPL-ONEGZZNKSA-N 0 0 241.334 3.514 20 0 BHADRN Cc1csc(C(=O)N[C@@H](C)CC(C)(C)C)c1 ZINC000385095344 367787924 /nfs/dbraw/zinc/78/79/24/367787924.db2.gz GVMDCOUPLOHVAC-JTQLQIEISA-N 0 0 239.384 3.611 20 0 BHADRN Cc1csc(C(=O)N[C@H](C)CC(C)(C)C)c1 ZINC000385095357 350764411 /nfs/dbraw/zinc/76/44/11/350764411.db2.gz GVMDCOUPLOHVAC-SNVBAGLBSA-N 0 0 239.384 3.611 20 0 BHADRN C[C@H](COc1ccc(Cl)nc1)c1ccccc1 ZINC000385126457 711666373 /nfs/dbraw/zinc/66/63/73/711666373.db2.gz KQRAYHVIHRHHJV-LLVKDONJSA-N 0 0 247.725 3.918 20 0 BHADRN C[C@@H](COc1ccc(Cl)nc1)c1ccccc1 ZINC000385126470 711005777 /nfs/dbraw/zinc/00/57/77/711005777.db2.gz KQRAYHVIHRHHJV-NSHDSACASA-N 0 0 247.725 3.918 20 0 BHADRN C[C@@H]1CC[C@@H]1[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000385146154 367801542 /nfs/dbraw/zinc/80/15/42/367801542.db2.gz POWAVQPUECGTNX-INWMFGNUSA-N 0 0 241.334 3.757 20 0 BHADRN C[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000385146156 367801221 /nfs/dbraw/zinc/80/12/21/367801221.db2.gz POWAVQPUECGTNX-IVMMDQJWSA-N 0 0 241.334 3.757 20 0 BHADRN C[C@@H]1CC[C@H]1[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000385146158 367801603 /nfs/dbraw/zinc/80/16/03/367801603.db2.gz POWAVQPUECGTNX-XNRPHZJLSA-N 0 0 241.334 3.757 20 0 BHADRN C[C@@H]1CC[C@H]1[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000385146159 367801610 /nfs/dbraw/zinc/80/16/10/367801610.db2.gz POWAVQPUECGTNX-XPKDYRNWSA-N 0 0 241.334 3.757 20 0 BHADRN CC1(C)CCC(CNc2cccc(CO)c2)CC1 ZINC000385210123 367809093 /nfs/dbraw/zinc/80/90/93/367809093.db2.gz YBMFFAOMUIFEJQ-UHFFFAOYSA-N 0 0 247.382 3.807 20 0 BHADRN COc1ccc(NCCC(C)(C)SC)cc1 ZINC000385315118 711009743 /nfs/dbraw/zinc/00/97/43/711009743.db2.gz OVBUQQFNYYKJJA-UHFFFAOYSA-N 0 0 239.384 3.639 20 0 BHADRN CCc1cc(NC(=O)N2CCCCC2)ccc1C ZINC000385317384 711009777 /nfs/dbraw/zinc/00/97/77/711009777.db2.gz HDNHYHVKOSBHON-UHFFFAOYSA-N 0 0 246.354 3.575 20 0 BHADRN CCc1ccc(N[C@@H]2CCO[C@@H](CC)C2)cc1C ZINC000385319006 398150895 /nfs/dbraw/zinc/15/08/95/398150895.db2.gz ITCFHAYATGTDLZ-CVEARBPZSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1ccc(N[C@H]2CCO[C@@H](CC)C2)cc1C ZINC000385319007 398151781 /nfs/dbraw/zinc/15/17/81/398151781.db2.gz ITCFHAYATGTDLZ-HOTGVXAUSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1ccc(N[C@@H]2CCO[C@H](CC)C2)cc1C ZINC000385319008 398151047 /nfs/dbraw/zinc/15/10/47/398151047.db2.gz ITCFHAYATGTDLZ-HZPDHXFCSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1ccc(N[C@H]2CCO[C@H](CC)C2)cc1C ZINC000385319357 398151330 /nfs/dbraw/zinc/15/13/30/398151330.db2.gz ITCFHAYATGTDLZ-JKSUJKDBSA-N 0 0 247.382 3.927 20 0 BHADRN CSC(C)(C)CCNc1ccccc1 ZINC000385319589 711009518 /nfs/dbraw/zinc/00/95/18/711009518.db2.gz QOUAPJZUWCLFRF-UHFFFAOYSA-N 0 0 209.358 3.630 20 0 BHADRN COc1cccc(NCCC(C)(C)SC)c1 ZINC000385330303 711011307 /nfs/dbraw/zinc/01/13/07/711011307.db2.gz ULWJXSHBEFJBND-UHFFFAOYSA-N 0 0 239.384 3.639 20 0 BHADRN CC(C)(NC(=O)OC1CCCC1)c1ccccc1 ZINC000385344234 711771315 /nfs/dbraw/zinc/77/13/15/711771315.db2.gz YSTYGCHLPOXITF-UHFFFAOYSA-N 0 0 247.338 3.591 20 0 BHADRN Cc1ccc(CN(C)C(=O)OC2CCCC2)cc1 ZINC000385434337 711013718 /nfs/dbraw/zinc/01/37/18/711013718.db2.gz OUTHAVRLGKXOPX-UHFFFAOYSA-N 0 0 247.338 3.506 20 0 BHADRN CC(C)c1nn(C)cc1NC1CCC(C)(C)CC1 ZINC000385446359 367828301 /nfs/dbraw/zinc/82/83/01/367828301.db2.gz FWOQPRGNEFCORU-UHFFFAOYSA-N 0 0 249.402 3.924 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCCC(C)(C)C1 ZINC000385516642 367840935 /nfs/dbraw/zinc/84/09/35/367840935.db2.gz YEUCTLINPWBDSK-GFCCVEGCSA-N 0 0 249.402 3.924 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CCCC(C)(C)C1 ZINC000385516643 367840579 /nfs/dbraw/zinc/84/05/79/367840579.db2.gz YEUCTLINPWBDSK-LBPRGKRZSA-N 0 0 249.402 3.924 20 0 BHADRN Cc1nn(C)c(C)c1N[C@@H](CCC(C)C)C1CC1 ZINC000385547997 367842532 /nfs/dbraw/zinc/84/25/32/367842532.db2.gz OUFUVUVEKATCIK-AWEZNQCLSA-N 0 0 249.402 3.664 20 0 BHADRN Cc1nn(C)c(C)c1N[C@H](CCC(C)C)C1CC1 ZINC000385548012 367841855 /nfs/dbraw/zinc/84/18/55/367841855.db2.gz OUFUVUVEKATCIK-CQSZACIVSA-N 0 0 249.402 3.664 20 0 BHADRN CC(C)(C)c1ccc(N[C@H]2CCOC2(C)C)cc1 ZINC000385573456 367843150 /nfs/dbraw/zinc/84/31/50/367843150.db2.gz DHEGUBQJIUMUHL-AWEZNQCLSA-N 0 0 247.382 3.964 20 0 BHADRN CC(C)(C)c1ccc(N[C@@H]2CCOC2(C)C)cc1 ZINC000385573459 367843850 /nfs/dbraw/zinc/84/38/50/367843850.db2.gz DHEGUBQJIUMUHL-CQSZACIVSA-N 0 0 247.382 3.964 20 0 BHADRN Oc1ccccc1-c1ccc(OC2CCC2)cc1 ZINC000385592984 711737314 /nfs/dbraw/zinc/73/73/14/711737314.db2.gz BIHOPXVFCGIGKM-UHFFFAOYSA-N 0 0 240.302 3.991 20 0 BHADRN C[C@H](Nc1cccc2ccccc21)[C@H]1CCCO1 ZINC000385794390 367864355 /nfs/dbraw/zinc/86/43/55/367864355.db2.gz ZTMKSBHOGQDIHA-BLLLJJGKSA-N 0 0 241.334 3.819 20 0 BHADRN C[C@H](Nc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000385794394 367864637 /nfs/dbraw/zinc/86/46/37/367864637.db2.gz ZTMKSBHOGQDIHA-LRDDRELGSA-N 0 0 241.334 3.819 20 0 BHADRN C[C@@H](Nc1cccc2ccccc21)[C@H]1CCCO1 ZINC000385794400 367864708 /nfs/dbraw/zinc/86/47/08/367864708.db2.gz ZTMKSBHOGQDIHA-MLGOLLRUSA-N 0 0 241.334 3.819 20 0 BHADRN C[C@@H](Nc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000385794406 367864730 /nfs/dbraw/zinc/86/47/30/367864730.db2.gz ZTMKSBHOGQDIHA-WBMJQRKESA-N 0 0 241.334 3.819 20 0 BHADRN CCc1nn(C)cc1N[C@H]1CCCC12CCCC2 ZINC000385856444 367870940 /nfs/dbraw/zinc/87/09/40/367870940.db2.gz WBPWBEYUQCHAAA-AWEZNQCLSA-N 0 0 247.386 3.507 20 0 BHADRN CCc1nn(C)cc1N[C@@H]1CCCC12CCCC2 ZINC000385856738 367870478 /nfs/dbraw/zinc/87/04/78/367870478.db2.gz WBPWBEYUQCHAAA-CQSZACIVSA-N 0 0 247.386 3.507 20 0 BHADRN Nc1ccc(-c2ccc(OC3CCC3)cc2)cc1 ZINC000385881966 398262800 /nfs/dbraw/zinc/26/28/00/398262800.db2.gz LIOZDXJCSOZXHO-UHFFFAOYSA-N 0 0 239.318 3.867 20 0 BHADRN COc1cc(C)c(N[C@H](C)C2CCC2)cc1OC ZINC000385939034 711020381 /nfs/dbraw/zinc/02/03/81/711020381.db2.gz FUQBLEVNWDFWFX-LLVKDONJSA-N 0 0 249.354 3.613 20 0 BHADRN COc1cc(C)c(N[C@@H](C)C2CCC2)cc1OC ZINC000385939059 711021167 /nfs/dbraw/zinc/02/11/67/711021167.db2.gz FUQBLEVNWDFWFX-NSHDSACASA-N 0 0 249.354 3.613 20 0 BHADRN C[C@H](CCC(C)(C)C)Nc1ncnc2c1CCC2 ZINC000386002350 367895447 /nfs/dbraw/zinc/89/54/47/367895447.db2.gz KWMKPQDXHKDYOO-LLVKDONJSA-N 0 0 247.386 3.592 20 0 BHADRN C[C@@H](CCC(C)(C)C)Nc1ncnc2c1CCC2 ZINC000386002355 367895754 /nfs/dbraw/zinc/89/57/54/367895754.db2.gz KWMKPQDXHKDYOO-NSHDSACASA-N 0 0 247.386 3.592 20 0 BHADRN CC(=O)Nc1cccc(NCC2(C)CCCC2)c1 ZINC000386006984 711020207 /nfs/dbraw/zinc/02/02/07/711020207.db2.gz 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243.322 3.788 20 0 BHADRN CCOC1CC(Nc2ccc(C(F)F)cc2)C1 ZINC000386356616 711027637 /nfs/dbraw/zinc/02/76/37/711027637.db2.gz VMSLKSSTQQQPGU-UHFFFAOYSA-N 0 0 241.281 3.604 20 0 BHADRN FC(F)c1ccc(NC[C@H]2CCC=CO2)cc1 ZINC000386366073 711028456 /nfs/dbraw/zinc/02/84/56/711028456.db2.gz XHIINOXEJBSRHM-GFCCVEGCSA-N 0 0 239.265 3.729 20 0 BHADRN FC(F)c1ccc(NC[C@@H]2CCC=CO2)cc1 ZINC000386366075 711529501 /nfs/dbraw/zinc/52/95/01/711529501.db2.gz XHIINOXEJBSRHM-LBPRGKRZSA-N 0 0 239.265 3.729 20 0 BHADRN C[C@@H](Nc1ccc(C(F)F)cc1)[C@H]1CCCO1 ZINC000386371179 711028189 /nfs/dbraw/zinc/02/81/89/711028189.db2.gz YSDUBCFMQJXMFL-BXKDBHETSA-N 0 0 241.281 3.604 20 0 BHADRN C[C@H](Nc1ccc(C(F)F)cc1)[C@@H]1CCCO1 ZINC000386371183 711027437 /nfs/dbraw/zinc/02/74/37/711027437.db2.gz YSDUBCFMQJXMFL-CABZTGNLSA-N 0 0 241.281 3.604 20 0 BHADRN C[C@H](Nc1ccc(C(F)F)cc1)[C@H]1CCCO1 ZINC000386371185 711028078 /nfs/dbraw/zinc/02/80/78/711028078.db2.gz YSDUBCFMQJXMFL-JOYOIKCWSA-N 0 0 241.281 3.604 20 0 BHADRN 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CC[C@@H](Nc1cccc(CO)c1)C1CCCC1 ZINC000387531630 344707158 /nfs/dbraw/zinc/70/71/58/344707158.db2.gz CICYQYNQDXXQCV-OAHLLOKOSA-N 0 0 233.355 3.560 20 0 BHADRN Oc1cccc(SC/C(Cl)=C\Cl)c1 ZINC000388169687 711053570 /nfs/dbraw/zinc/05/35/70/711053570.db2.gz XFHLMYNQGWDPSH-FNORWQNLSA-N 0 0 235.135 3.803 20 0 BHADRN Cc1ccc(Cl)c(NC/C=C\Cl)c1 ZINC000388202364 711052966 /nfs/dbraw/zinc/05/29/66/711052966.db2.gz AWHFEYADYMGADW-DJWKRKHSSA-N 0 0 216.111 3.813 20 0 BHADRN CCC[C@@H](CC)S[C@H](C)CCOC ZINC000388207888 347237714 /nfs/dbraw/zinc/23/77/14/347237714.db2.gz DZRNPWBIMUUOOJ-GHMZBOCLSA-N 0 0 204.379 3.723 20 0 BHADRN CCC[C@H](CC)S[C@H](C)CCOC ZINC000388207912 358105319 /nfs/dbraw/zinc/10/53/19/358105319.db2.gz DZRNPWBIMUUOOJ-MNOVXSKESA-N 0 0 204.379 3.723 20 0 BHADRN CCC[C@H](CC)S[C@@H](C)CCOC ZINC000388207913 347237681 /nfs/dbraw/zinc/23/76/81/347237681.db2.gz DZRNPWBIMUUOOJ-QWRGUYRKSA-N 0 0 204.379 3.723 20 0 BHADRN CCC[C@@H](CC)S[C@@H](C)CCOC ZINC000388207914 347237672 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/nfs/dbraw/zinc/05/74/80/711057480.db2.gz LEEGBALUYRDIKZ-JTQLQIEISA-N 0 0 202.363 3.666 20 0 BHADRN CCC(CC)(CC)S[C@H](C)C(C)=O ZINC000388296049 711057573 /nfs/dbraw/zinc/05/75/73/711057573.db2.gz LEEGBALUYRDIKZ-SNVBAGLBSA-N 0 0 202.363 3.666 20 0 BHADRN CCOCCSCCC(C)(C)CC ZINC000388297721 347298662 /nfs/dbraw/zinc/29/86/62/347298662.db2.gz LYZFHFZVPBGARV-UHFFFAOYSA-N 0 0 204.379 3.582 20 0 BHADRN CCC[C@@H](CC)SCCCOCC ZINC000388308002 347305041 /nfs/dbraw/zinc/30/50/41/347305041.db2.gz QLBBIJMQKMNLGF-LLVKDONJSA-N 0 0 204.379 3.725 20 0 BHADRN CCC[C@H](CC)SCCCOCC ZINC000388308003 347305282 /nfs/dbraw/zinc/30/52/82/347305282.db2.gz QLBBIJMQKMNLGF-NSHDSACASA-N 0 0 204.379 3.725 20 0 BHADRN CCC(CC)SCC(F)(F)C(F)F ZINC000388325237 711058660 /nfs/dbraw/zinc/05/86/60/711058660.db2.gz ZBCDYHRVWBOYJJ-UHFFFAOYSA-N 0 0 218.259 3.809 20 0 BHADRN CSCCSc1ccc(C)c(C)c1 ZINC000388327206 711864789 /nfs/dbraw/zinc/86/47/89/711864789.db2.gz CMFZNMFKMJEFMQ-UHFFFAOYSA-N 0 0 212.383 3.759 20 0 BHADRN CSCCSc1cc(C)ccc1C ZINC000388347629 711869803 /nfs/dbraw/zinc/86/98/03/711869803.db2.gz MXOFBPGJWCQSLK-UHFFFAOYSA-N 0 0 212.383 3.759 20 0 BHADRN Cc1cccnc1SC/C(Cl)=C\Cl ZINC000388348071 711058767 /nfs/dbraw/zinc/05/87/67/711058767.db2.gz NBSACWKSMAXRGM-VMPITWQZSA-N 0 0 234.151 3.801 20 0 BHADRN CCCCOCCS[C@H](C)C(C)C ZINC000388351792 358143477 /nfs/dbraw/zinc/14/34/77/358143477.db2.gz OTAQHARSOVMICZ-LLVKDONJSA-N 0 0 204.379 3.581 20 0 BHADRN CCCCOCCS[C@@H](C)C(C)C ZINC000388351794 347350711 /nfs/dbraw/zinc/35/07/11/347350711.db2.gz OTAQHARSOVMICZ-NSHDSACASA-N 0 0 204.379 3.581 20 0 BHADRN CCCC[C@@H](CC)CSCC(C)=O ZINC000388365160 347361237 /nfs/dbraw/zinc/36/12/37/347361237.db2.gz VBZDZUPIPKLBPM-LLVKDONJSA-N 0 0 202.363 3.525 20 0 BHADRN CCCC[C@H](CC)CSCC(C)=O ZINC000388365161 347361809 /nfs/dbraw/zinc/36/18/09/347361809.db2.gz VBZDZUPIPKLBPM-NSHDSACASA-N 0 0 202.363 3.525 20 0 BHADRN FCCCSc1ccccc1Cl ZINC000388388929 358146456 /nfs/dbraw/zinc/14/64/56/358146456.db2.gz AMMRMWCDXFXETG-UHFFFAOYSA-N 0 0 204.697 3.792 20 0 BHADRN C[C@H](SCC(C)(C)C)C(F)(F)F ZINC000388398002 347383756 /nfs/dbraw/zinc/38/37/56/347383756.db2.gz KJKHVTMWIRLFCG-LURJTMIESA-N 0 0 200.269 3.717 20 0 BHADRN C[C@@H](SCC(C)(C)C)C(F)(F)F ZINC000388398003 347383660 /nfs/dbraw/zinc/38/36/60/347383660.db2.gz KJKHVTMWIRLFCG-ZCFIWIBFSA-N 0 0 200.269 3.717 20 0 BHADRN CCSCSc1ccc(Cl)cn1 ZINC000388405836 711765023 /nfs/dbraw/zinc/76/50/23/711765023.db2.gz SKFKNUKHJKMPBW-UHFFFAOYSA-N 0 0 219.762 3.538 20 0 BHADRN CC(C)CCSCCC(F)(F)F ZINC000388469663 347419479 /nfs/dbraw/zinc/41/94/79/347419479.db2.gz LRYCLHXEMQCUCG-UHFFFAOYSA-N 0 0 200.269 3.718 20 0 BHADRN CSCCCSCCC(C)(C)C ZINC000388519059 397900050 /nfs/dbraw/zinc/90/00/50/397900050.db2.gz WAAKOBLDENRPHW-UHFFFAOYSA-N 0 0 206.420 3.909 20 0 BHADRN CCSCSc1cc(F)ccc1F ZINC000388583729 711062827 /nfs/dbraw/zinc/06/28/27/711062827.db2.gz GRSUCPOTRLZGTG-UHFFFAOYSA-N 0 0 220.309 3.768 20 0 BHADRN C[C@H](CSCC(C)(C)C)C(F)(F)F ZINC000388585059 349194534 /nfs/dbraw/zinc/19/45/34/349194534.db2.gz HKZHNQCCQSUZTD-SSDOTTSWSA-N 0 0 214.296 3.964 20 0 BHADRN C[C@@H](CSCC(C)(C)C)C(F)(F)F ZINC000388585060 349194299 /nfs/dbraw/zinc/19/42/99/349194299.db2.gz HKZHNQCCQSUZTD-ZETCQYMHSA-N 0 0 214.296 3.964 20 0 BHADRN CC(C)=CCSC[C@@H](C)C(F)(F)F ZINC000388588610 349201702 /nfs/dbraw/zinc/20/17/02/349201702.db2.gz KAPVYSVNNORWKU-MRVPVSSYSA-N 0 0 212.280 3.884 20 0 BHADRN CC(C)=CCSC[C@H](C)C(F)(F)F ZINC000388588611 349202065 /nfs/dbraw/zinc/20/20/65/349202065.db2.gz KAPVYSVNNORWKU-QMMMGPOBSA-N 0 0 212.280 3.884 20 0 BHADRN CCCC(CCC)SCCOCC ZINC000388589871 349202369 /nfs/dbraw/zinc/20/23/69/349202369.db2.gz AALOHEMBUYOTOB-UHFFFAOYSA-N 0 0 204.379 3.725 20 0 BHADRN CC(C)CCSC[C@@H](C)C(F)(F)F ZINC000388591824 349213740 /nfs/dbraw/zinc/21/37/40/349213740.db2.gz AWUMHVFUUBHFLM-MRVPVSSYSA-N 0 0 214.296 3.964 20 0 BHADRN CC(C)CCSC[C@H](C)C(F)(F)F ZINC000388591825 349213674 /nfs/dbraw/zinc/21/36/74/349213674.db2.gz AWUMHVFUUBHFLM-QMMMGPOBSA-N 0 0 214.296 3.964 20 0 BHADRN CC[C@H](C)CSCCC(C)(C)OC ZINC000388602636 349249493 /nfs/dbraw/zinc/24/94/93/349249493.db2.gz SRTUBCMEHNOOKW-JTQLQIEISA-N 0 0 204.379 3.581 20 0 BHADRN CC[C@@H](C)CSCCC(C)(C)OC ZINC000388602637 349249268 /nfs/dbraw/zinc/24/92/68/349249268.db2.gz SRTUBCMEHNOOKW-SNVBAGLBSA-N 0 0 204.379 3.581 20 0 BHADRN CC(C)[C@@H](C)SC[C@@H](C)C(F)(F)F ZINC000388605307 349252011 /nfs/dbraw/zinc/25/20/11/349252011.db2.gz VAJNTOGJRDDEGL-HTQZYQBOSA-N 0 0 214.296 3.963 20 0 BHADRN CC(C)[C@@H](C)SC[C@H](C)C(F)(F)F ZINC000388605308 349252203 /nfs/dbraw/zinc/25/22/03/349252203.db2.gz VAJNTOGJRDDEGL-JGVFFNPUSA-N 0 0 214.296 3.963 20 0 BHADRN CC(C)[C@H](C)SC[C@@H](C)C(F)(F)F ZINC000388605310 349252169 /nfs/dbraw/zinc/25/21/69/349252169.db2.gz VAJNTOGJRDDEGL-SFYZADRCSA-N 0 0 214.296 3.963 20 0 BHADRN CC(C)[C@H](C)SC[C@H](C)C(F)(F)F ZINC000388605312 349251792 /nfs/dbraw/zinc/25/17/92/349251792.db2.gz VAJNTOGJRDDEGL-YUMQZZPRSA-N 0 0 214.296 3.963 20 0 BHADRN CCC(C)N=Nc1ccc(Br)cc1 ZINC000388613239 711063489 /nfs/dbraw/zinc/06/34/89/711063489.db2.gz ZVHZRLOUXKHVRC-UHFFFAOYSA-N 0 0 241.132 3.647 20 0 BHADRN CC[C@H](C)CSCOC1CCCC1 ZINC000388614811 711915886 /nfs/dbraw/zinc/91/58/86/711915886.db2.gz AIZWRRPZSIZIMY-JTQLQIEISA-N 0 0 202.363 3.682 20 0 BHADRN CC[C@@H](C)CSCOC1CCCC1 ZINC000388614813 711915602 /nfs/dbraw/zinc/91/56/02/711915602.db2.gz AIZWRRPZSIZIMY-SNVBAGLBSA-N 0 0 202.363 3.682 20 0 BHADRN CC[C@H]1CCCCN1C/C(Cl)=C\Cl ZINC000388617586 711064267 /nfs/dbraw/zinc/06/42/67/711064267.db2.gz BEAKUXVAEZDDBR-PCYYEKQGSA-N 0 0 222.159 3.570 20 0 BHADRN CC[C@@H]1CCCCN1C/C(Cl)=C\Cl ZINC000388617588 711064255 /nfs/dbraw/zinc/06/42/55/711064255.db2.gz BEAKUXVAEZDDBR-TTZKWOQHSA-N 0 0 222.159 3.570 20 0 BHADRN CC[C@@H](F)CSc1ccc(Cl)cn1 ZINC000388618499 358181761 /nfs/dbraw/zinc/18/17/61/358181761.db2.gz DPPBATYTOSCOGL-MRVPVSSYSA-N 0 0 219.712 3.575 20 0 BHADRN CC[C@H](F)CSc1ccc(Cl)cn1 ZINC000388618500 349272026 /nfs/dbraw/zinc/27/20/26/349272026.db2.gz DPPBATYTOSCOGL-QMMMGPOBSA-N 0 0 219.712 3.575 20 0 BHADRN COCC[C@H](C)SC(C)(C)C(C)C ZINC000388644701 711933819 /nfs/dbraw/zinc/93/38/19/711933819.db2.gz PVNOPBOCJJQNHG-JTQLQIEISA-N 0 0 204.379 3.579 20 0 BHADRN COCC[C@@H](C)SC(C)(C)C(C)C ZINC000388644704 711933885 /nfs/dbraw/zinc/93/38/85/711933885.db2.gz PVNOPBOCJJQNHG-SNVBAGLBSA-N 0 0 204.379 3.579 20 0 BHADRN CC(C)C(C)(C)SCc1cscn1 ZINC000388650490 711064895 /nfs/dbraw/zinc/06/48/95/711064895.db2.gz ROSYSBYECMMJCV-UHFFFAOYSA-N 0 0 215.387 3.811 20 0 BHADRN CC(C)CCCn1cnc(Cl)c1Cl ZINC000388654760 711940172 /nfs/dbraw/zinc/94/01/72/711940172.db2.gz SWVOXRNNMLUQCR-UHFFFAOYSA-N 0 0 221.131 3.626 20 0 BHADRN CC(=O)CCCSC(C)(C)C(C)C ZINC000388659559 711064922 /nfs/dbraw/zinc/06/49/22/711064922.db2.gz UXSNRSDPCYNXDQ-UHFFFAOYSA-N 0 0 202.363 3.523 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1ncnc2ccccc21 ZINC000388663851 342876841 /nfs/dbraw/zinc/87/68/41/342876841.db2.gz WAKOYVVJQSTGLE-AAEUAGOBSA-N 0 0 241.338 3.620 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1ncnc2ccccc21 ZINC000388663852 342876862 /nfs/dbraw/zinc/87/68/62/342876862.db2.gz WAKOYVVJQSTGLE-DGCLKSJQSA-N 0 0 241.338 3.620 20 0 BHADRN CC[C@H]1CCC[C@H]1Nc1ncnc2ccccc21 ZINC000388663853 342876982 /nfs/dbraw/zinc/87/69/82/342876982.db2.gz WAKOYVVJQSTGLE-WCQYABFASA-N 0 0 241.338 3.620 20 0 BHADRN CC[C@@H]1CCC[C@@H]1Nc1ncnc2ccccc21 ZINC000388663854 342876963 /nfs/dbraw/zinc/87/69/63/342876963.db2.gz WAKOYVVJQSTGLE-YPMHNXCESA-N 0 0 241.338 3.620 20 0 BHADRN CC(C)CCSCCOC(C)(C)C ZINC000388672374 343068549 /nfs/dbraw/zinc/06/85/49/343068549.db2.gz YGWWQVKGTPEBGJ-UHFFFAOYSA-N 0 0 204.379 3.581 20 0 BHADRN CC(C)SCCSc1cccc(O)c1 ZINC000388674231 711064912 /nfs/dbraw/zinc/06/49/12/711064912.db2.gz FBDYQFQFKRYDMV-UHFFFAOYSA-N 0 0 228.382 3.626 20 0 BHADRN Cc1cccc(OCCSC(C)C)c1 ZINC000388675803 343101316 /nfs/dbraw/zinc/10/13/16/343101316.db2.gz FLNGOGBHXNMEHV-UHFFFAOYSA-N 0 0 210.342 3.515 20 0 BHADRN CC[C@@H]1CCC[C@@H]1Nc1cc(C(C)C)ncn1 ZINC000388681141 344645003 /nfs/dbraw/zinc/64/50/03/344645003.db2.gz IPCMWNQAQHGXOA-NEPJUHHUSA-N 0 0 233.359 3.591 20 0 BHADRN CC[C@H]1CCC[C@H]1Nc1cc(C(C)C)ncn1 ZINC000388681142 344644956 /nfs/dbraw/zinc/64/49/56/344644956.db2.gz IPCMWNQAQHGXOA-NWDGAFQWSA-N 0 0 233.359 3.591 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1cc(C(C)C)ncn1 ZINC000388681143 344645065 /nfs/dbraw/zinc/64/50/65/344645065.db2.gz IPCMWNQAQHGXOA-RYUDHWBXSA-N 0 0 233.359 3.591 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1cc(C(C)C)ncn1 ZINC000388681145 344645062 /nfs/dbraw/zinc/64/50/62/344645062.db2.gz IPCMWNQAQHGXOA-VXGBXAGGSA-N 0 0 233.359 3.591 20 0 BHADRN Fc1cc(Cl)ccc1OC/C=C\Cl ZINC000388690648 711064747 /nfs/dbraw/zinc/06/47/47/711064747.db2.gz KTOQWWPEOGLCSE-RJRFIUFISA-N 0 0 221.058 3.610 20 0 BHADRN CCSCCSc1ncccc1Cl ZINC000388696824 712388141 /nfs/dbraw/zinc/38/81/41/712388141.db2.gz MIMJUFRGNQJHMP-UHFFFAOYSA-N 0 0 233.789 3.580 20 0 BHADRN COCCCCSC(C)(C)C(C)C ZINC000388708005 711065451 /nfs/dbraw/zinc/06/54/51/711065451.db2.gz OWSNMAUTECMGSG-UHFFFAOYSA-N 0 0 204.379 3.581 20 0 BHADRN C/C(=C/Cl)CSCc1nc(C)cs1 ZINC000388714574 711066753 /nfs/dbraw/zinc/06/67/53/711066753.db2.gz QKGNSVURAIEZAU-CLTKARDFSA-N 0 0 233.789 3.827 20 0 BHADRN C/C(=C\Cl)CSCc1nc(C)cs1 ZINC000388714576 711066732 /nfs/dbraw/zinc/06/67/32/711066732.db2.gz QKGNSVURAIEZAU-XVNBXDOJSA-N 0 0 233.789 3.827 20 0 BHADRN CCCCCCSCCOC(C)C ZINC000388720956 711066381 /nfs/dbraw/zinc/06/63/81/711066381.db2.gz SIZHVLXKXUVHFC-UHFFFAOYSA-N 0 0 204.379 3.725 20 0 BHADRN Fc1cc(Cl)ccc1OCCC1CC1 ZINC000388742358 538849494 /nfs/dbraw/zinc/84/94/94/538849494.db2.gz UXVGTXSPMBTWHW-UHFFFAOYSA-N 0 0 214.667 3.658 20 0 BHADRN CCCCC[S@](=O)[C@@H](CC)CCC ZINC000388744039 386333210 /nfs/dbraw/zinc/33/32/10/386333210.db2.gz YOVRCINDYBNFJP-AAEUAGOBSA-N 0 0 204.379 3.504 20 0 BHADRN CCCCC[S@@](=O)[C@H](CC)CCC ZINC000388744040 386333030 /nfs/dbraw/zinc/33/30/30/386333030.db2.gz YOVRCINDYBNFJP-DGCLKSJQSA-N 0 0 204.379 3.504 20 0 BHADRN CCCCC[S@@](=O)[C@@H](CC)CCC ZINC000388744042 386333643 /nfs/dbraw/zinc/33/36/43/386333643.db2.gz YOVRCINDYBNFJP-WCQYABFASA-N 0 0 204.379 3.504 20 0 BHADRN CCCCC[S@](=O)[C@H](CC)CCC ZINC000388744044 386333491 /nfs/dbraw/zinc/33/34/91/386333491.db2.gz YOVRCINDYBNFJP-YPMHNXCESA-N 0 0 204.379 3.504 20 0 BHADRN CCC(CC)SCCCOC(C)C ZINC000388745203 351347863 /nfs/dbraw/zinc/34/78/63/351347863.db2.gz YUBCSRSXELJASJ-UHFFFAOYSA-N 0 0 204.379 3.723 20 0 BHADRN COCCCCCSC/C(C)=C/Cl ZINC000388754549 711066048 /nfs/dbraw/zinc/06/60/48/711066048.db2.gz CLLQVJKAMYYZPQ-CSKARUKUSA-N 0 0 222.781 3.679 20 0 BHADRN COCCCCCSC/C(C)=C\Cl ZINC000388754550 711066163 /nfs/dbraw/zinc/06/61/63/711066163.db2.gz CLLQVJKAMYYZPQ-NTMALXAHSA-N 0 0 222.781 3.679 20 0 BHADRN CCCC(CCC)S[C@@H](C)COC ZINC000388757496 352554517 /nfs/dbraw/zinc/55/45/17/352554517.db2.gz DCESFPZDCJIVKS-JTQLQIEISA-N 0 0 204.379 3.723 20 0 BHADRN CCCC(CCC)S[C@H](C)COC ZINC000388757499 352554376 /nfs/dbraw/zinc/55/43/76/352554376.db2.gz DCESFPZDCJIVKS-SNVBAGLBSA-N 0 0 204.379 3.723 20 0 BHADRN CC(C)SCCSCCC(F)(F)F ZINC000388764620 711066735 /nfs/dbraw/zinc/06/67/35/711066735.db2.gz FEOSYNDNPVESQK-UHFFFAOYSA-N 0 0 232.336 3.814 20 0 BHADRN Cc1occc1SCCSC(C)C ZINC000388768823 711068521 /nfs/dbraw/zinc/06/85/21/711068521.db2.gz GBJFNZMKXWQTTL-UHFFFAOYSA-N 0 0 216.371 3.822 20 0 BHADRN CC(C)[C@H](C)SCOC1CCCC1 ZINC000388769795 711067949 /nfs/dbraw/zinc/06/79/49/711067949.db2.gz GJKCMPIPXAXKRV-JTQLQIEISA-N 0 0 202.363 3.681 20 0 BHADRN CC(C)[C@@H](C)SCOC1CCCC1 ZINC000388769796 711068532 /nfs/dbraw/zinc/06/85/32/711068532.db2.gz GJKCMPIPXAXKRV-SNVBAGLBSA-N 0 0 202.363 3.681 20 0 BHADRN FCCCCCNc1ccc(Cl)cc1 ZINC000388800608 353033285 /nfs/dbraw/zinc/03/32/85/353033285.db2.gz MWSUYACSJFOUSP-UHFFFAOYSA-N 0 0 215.699 3.892 20 0 BHADRN CCCC[C@@H](CCC)SCCOC ZINC000388830491 353564684 /nfs/dbraw/zinc/56/46/84/353564684.db2.gz WBFZDUVMUIKISO-LLVKDONJSA-N 0 0 204.379 3.725 20 0 BHADRN CCCC[C@H](CCC)SCCOC ZINC000388830493 353564857 /nfs/dbraw/zinc/56/48/57/353564857.db2.gz WBFZDUVMUIKISO-NSHDSACASA-N 0 0 204.379 3.725 20 0 BHADRN C(OC1CCCC1)SC1CCCC1 ZINC000388839506 711069599 /nfs/dbraw/zinc/06/95/99/711069599.db2.gz XZAWPSWJYAKXLF-UHFFFAOYSA-N 0 0 200.347 3.579 20 0 BHADRN c1csc(CCSCC2CCC2)c1 ZINC000388848587 711069542 /nfs/dbraw/zinc/06/95/42/711069542.db2.gz ZVASQTJEBIMOCF-UHFFFAOYSA-N 0 0 212.383 3.824 20 0 BHADRN CCC[C@@H](C)SC(=S)N(CC)CC ZINC000388852254 711068877 /nfs/dbraw/zinc/06/88/77/711068877.db2.gz BLPJOTWQFDAJAO-SECBINFHSA-N 0 0 219.419 3.535 20 0 BHADRN CCC[C@H](C)SC(=S)N(CC)CC ZINC000388852256 711068858 /nfs/dbraw/zinc/06/88/58/711068858.db2.gz BLPJOTWQFDAJAO-VIFPVBQESA-N 0 0 219.419 3.535 20 0 BHADRN CCSCCSc1ccc(C)cc1 ZINC000388859271 711069489 /nfs/dbraw/zinc/06/94/89/711069489.db2.gz DJJCHOSEFAIHMA-UHFFFAOYSA-N 0 0 212.383 3.840 20 0 BHADRN CC(C)CSCCCOC(C)(C)C ZINC000388895477 363540791 /nfs/dbraw/zinc/54/07/91/363540791.db2.gz MEHKSQWCQAVXPI-UHFFFAOYSA-N 0 0 204.379 3.581 20 0 BHADRN CCSCCSc1ccccc1F ZINC000388912646 711070774 /nfs/dbraw/zinc/07/07/74/711070774.db2.gz PSNXPVDCXACVHK-UHFFFAOYSA-N 0 0 216.346 3.671 20 0 BHADRN CC[C@H]1CCC[C@@H]1NC(=S)Nc1ccccc1 ZINC000388915940 711070989 /nfs/dbraw/zinc/07/09/89/711070989.db2.gz QNEJUKMPECGXHO-AAEUAGOBSA-N 0 0 248.395 3.552 20 0 BHADRN CC[C@@H]1CCC[C@H]1NC(=S)Nc1ccccc1 ZINC000388915941 711070681 /nfs/dbraw/zinc/07/06/81/711070681.db2.gz QNEJUKMPECGXHO-DGCLKSJQSA-N 0 0 248.395 3.552 20 0 BHADRN CC[C@H]1CCC[C@H]1NC(=S)Nc1ccccc1 ZINC000388915942 711070440 /nfs/dbraw/zinc/07/04/40/711070440.db2.gz QNEJUKMPECGXHO-WCQYABFASA-N 0 0 248.395 3.552 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=S)Nc1ccccc1 ZINC000388915943 711070700 /nfs/dbraw/zinc/07/07/00/711070700.db2.gz QNEJUKMPECGXHO-YPMHNXCESA-N 0 0 248.395 3.552 20 0 BHADRN CCCC[S@@](=O)C(CCC)CCC ZINC000388923389 355341557 /nfs/dbraw/zinc/34/15/57/355341557.db2.gz SDVLKMGYJNEEGB-CYBMUJFWSA-N 0 0 204.379 3.504 20 0 BHADRN CCCC[S@](=O)C(CCC)CCC ZINC000388923391 355341188 /nfs/dbraw/zinc/34/11/88/355341188.db2.gz SDVLKMGYJNEEGB-ZDUSSCGKSA-N 0 0 204.379 3.504 20 0 BHADRN CC(C)C[C@H](C)Sc1ccc(O)cc1 ZINC000388942335 355368313 /nfs/dbraw/zinc/36/83/13/355368313.db2.gz XSSMLRPBZRLNKI-JTQLQIEISA-N 0 0 210.342 3.919 20 0 BHADRN CC(C)C[C@@H](C)Sc1ccc(O)cc1 ZINC000388942336 355368670 /nfs/dbraw/zinc/36/86/70/355368670.db2.gz XSSMLRPBZRLNKI-SNVBAGLBSA-N 0 0 210.342 3.919 20 0 BHADRN CCCCCSCCOCC(C)C ZINC000388947170 398295248 /nfs/dbraw/zinc/29/52/48/398295248.db2.gz YVGKGKYPOSWXLD-UHFFFAOYSA-N 0 0 204.379 3.582 20 0 BHADRN Cc1cc(OC/C(Cl)=C\Cl)ccc1F ZINC000388982336 712683264 /nfs/dbraw/zinc/68/32/64/712683264.db2.gz PZNSTWSXFHJHRE-VMPITWQZSA-N 0 0 235.085 3.832 20 0 BHADRN Cc1cc(F)ccc1OC/C(Cl)=C\Cl ZINC000389048435 711072034 /nfs/dbraw/zinc/07/20/34/711072034.db2.gz AISBVFDQTNIIMA-VMPITWQZSA-N 0 0 235.085 3.832 20 0 BHADRN CC(C)c1ccccc1NC/C=C\Cl ZINC000389164739 711072184 /nfs/dbraw/zinc/07/21/84/711072184.db2.gz BXMQPHRHBVEKKD-YVMONPNESA-N 0 0 209.720 3.974 20 0 BHADRN Cc1ccc(Cl)cc1OCCCCF ZINC000389208379 355872613 /nfs/dbraw/zinc/87/26/13/355872613.db2.gz HPAASEJRGHOVNM-UHFFFAOYSA-N 0 0 216.683 3.777 20 0 BHADRN CC[C@H](NCC(F)F)c1ccc(Cl)s1 ZINC000389215332 539015743 /nfs/dbraw/zinc/01/57/43/539015743.db2.gz KDEULBPHFFAOJV-LURJTMIESA-N 0 0 239.718 3.707 20 0 BHADRN CC[C@@H](NCC(F)F)c1ccc(Cl)s1 ZINC000389215355 539015375 /nfs/dbraw/zinc/01/53/75/539015375.db2.gz KDEULBPHFFAOJV-ZCFIWIBFSA-N 0 0 239.718 3.707 20 0 BHADRN CCC[C@@H](C)Nc1ncc(C(C)C)s1 ZINC000389235990 539015747 /nfs/dbraw/zinc/01/57/47/539015747.db2.gz WBFLJKPBWVWCOP-SECBINFHSA-N 0 0 212.362 3.867 20 0 BHADRN CCC[C@H](C)Nc1ncc(C(C)C)s1 ZINC000389236022 539015705 /nfs/dbraw/zinc/01/57/05/539015705.db2.gz WBFLJKPBWVWCOP-VIFPVBQESA-N 0 0 212.362 3.867 20 0 BHADRN Fc1cc(Cl)cc(F)c1NC/C=C\Cl ZINC000389245778 711074123 /nfs/dbraw/zinc/07/41/23/711074123.db2.gz BTQNPRSBUDCMGU-UPHRSURJSA-N 0 0 238.064 3.783 20 0 BHADRN Cc1cc(Cl)ccc1NCCCCF ZINC000389260183 355937975 /nfs/dbraw/zinc/93/79/75/355937975.db2.gz GHZAACZGPSGHBC-UHFFFAOYSA-N 0 0 215.699 3.810 20 0 BHADRN CCC(C)(C)C(=O)CSc1cccs1 ZINC000389260909 355938777 /nfs/dbraw/zinc/93/87/77/355938777.db2.gz GQTHBLJPDJGLJR-UHFFFAOYSA-N 0 0 228.382 3.846 20 0 BHADRN CC(C)(NCc1cc(Cl)cs1)C(F)F ZINC000389277782 711074169 /nfs/dbraw/zinc/07/41/69/711074169.db2.gz QAVAROQLHQEDRR-UHFFFAOYSA-N 0 0 239.718 3.535 20 0 BHADRN Cc1ccc(Cl)c(OCCCCF)c1 ZINC000389291972 355958939 /nfs/dbraw/zinc/95/89/39/355958939.db2.gz ZWIDNFUIBGPHLR-UHFFFAOYSA-N 0 0 216.683 3.777 20 0 BHADRN Fc1ccc(Cl)c(OCCC(F)(F)F)c1 ZINC000389311081 355962675 /nfs/dbraw/zinc/96/26/75/355962675.db2.gz BTBGOAFVDCVSCX-UHFFFAOYSA-N 0 0 242.599 3.810 20 0 BHADRN Cc1cccc(NCCCCF)c1Cl ZINC000389321686 355966649 /nfs/dbraw/zinc/96/66/49/355966649.db2.gz RYJVVZVLCXURIM-UHFFFAOYSA-N 0 0 215.699 3.810 20 0 BHADRN CC(C)(NCc1ccc(Cl)s1)C(F)F ZINC000389329367 539016040 /nfs/dbraw/zinc/01/60/40/539016040.db2.gz UKUGMOZKUMZBRU-UHFFFAOYSA-N 0 0 239.718 3.535 20 0 BHADRN FCCCCCOc1cc(F)ccc1Cl ZINC000389333368 355973759 /nfs/dbraw/zinc/97/37/59/355973759.db2.gz MVBXJTVKTHMEJT-UHFFFAOYSA-N 0 0 234.673 3.998 20 0 BHADRN Cc1ccc(Cl)cc1NCCCCF ZINC000389335424 355975167 /nfs/dbraw/zinc/97/51/67/355975167.db2.gz WITDYQZCDFZOME-UHFFFAOYSA-N 0 0 215.699 3.810 20 0 BHADRN Cc1cc(F)ccc1OCCSC(C)C ZINC000389366478 355983283 /nfs/dbraw/zinc/98/32/83/355983283.db2.gz UWQPIBZMOKXWQI-UHFFFAOYSA-N 0 0 228.332 3.655 20 0 BHADRN CCc1ccc(NCC2(SC)CC2)cc1 ZINC000389368594 355983842 /nfs/dbraw/zinc/98/38/42/355983842.db2.gz WOYQJCMGBPUKRS-UHFFFAOYSA-N 0 0 221.369 3.557 20 0 BHADRN CC(C)c1ccc(OCCCCF)cc1 ZINC000389368658 355983915 /nfs/dbraw/zinc/98/39/15/355983915.db2.gz WXTJUWRAMAOQHU-UHFFFAOYSA-N 0 0 210.292 3.939 20 0 BHADRN CCCc1ccc(NCCCCF)cc1 ZINC000389370380 711076838 /nfs/dbraw/zinc/07/68/38/711076838.db2.gz YLGNPXQTDLKGKU-UHFFFAOYSA-N 0 0 209.308 3.801 20 0 BHADRN CCc1ccccc1NCCCCCF ZINC000389381554 355992942 /nfs/dbraw/zinc/99/29/42/355992942.db2.gz CTRPFJNLANACMD-UHFFFAOYSA-N 0 0 209.308 3.801 20 0 BHADRN Cc1cc(NCCCCCF)ccc1F ZINC000389402338 356490701 /nfs/dbraw/zinc/49/07/01/356490701.db2.gz INBMVPMTJUOTLV-UHFFFAOYSA-N 0 0 213.271 3.686 20 0 BHADRN CC(C)(C)SCCOc1ccccc1F ZINC000389415569 711078318 /nfs/dbraw/zinc/07/83/18/711078318.db2.gz UKNZLFBISHPIML-UHFFFAOYSA-N 0 0 228.332 3.736 20 0 BHADRN Cc1cc(C)cc(NCCCCCF)c1 ZINC000389415672 356648949 /nfs/dbraw/zinc/64/89/49/356648949.db2.gz UMFIIUMSXWXJJG-UHFFFAOYSA-N 0 0 209.308 3.855 20 0 BHADRN FCCCCCOc1ccc(Cl)c(F)c1 ZINC000389419330 356655765 /nfs/dbraw/zinc/65/57/65/356655765.db2.gz XROXNLGVWODOEG-UHFFFAOYSA-N 0 0 234.673 3.998 20 0 BHADRN Cc1ccsc1[C@@H](C)N[C@@H](C)C(C)(F)F ZINC000389433819 356670723 /nfs/dbraw/zinc/67/07/23/356670723.db2.gz AGISMFYJFGNRQJ-BDAKNGLRSA-N 0 0 233.327 3.751 20 0 BHADRN Cc1ccsc1[C@H](C)N[C@H](C)C(C)(F)F ZINC000389433820 356670661 /nfs/dbraw/zinc/67/06/61/356670661.db2.gz AGISMFYJFGNRQJ-DTWKUNHWSA-N 0 0 233.327 3.751 20 0 BHADRN Cc1ccsc1[C@H](C)N[C@@H](C)C(C)(F)F ZINC000389433821 356670897 /nfs/dbraw/zinc/67/08/97/356670897.db2.gz AGISMFYJFGNRQJ-IUCAKERBSA-N 0 0 233.327 3.751 20 0 BHADRN Cc1ccsc1[C@@H](C)N[C@H](C)C(C)(F)F ZINC000389433822 356670949 /nfs/dbraw/zinc/67/09/49/356670949.db2.gz AGISMFYJFGNRQJ-RKDXNWHRSA-N 0 0 233.327 3.751 20 0 BHADRN Fc1cccc(-c2csc(C3CC3)n2)c1 ZINC000389433857 398091442 /nfs/dbraw/zinc/09/14/42/398091442.db2.gz AIQJACMEDNPCDZ-UHFFFAOYSA-N 0 0 219.284 3.827 20 0 BHADRN Cc1ccc(OCCSC(C)C)cc1F ZINC000389440609 358425137 /nfs/dbraw/zinc/42/51/37/358425137.db2.gz HQBCGNQUFRFKFJ-UHFFFAOYSA-N 0 0 228.332 3.655 20 0 BHADRN CC[C@@H](N[C@H](C)C(C)(F)F)c1ccccc1F ZINC000389446112 356672125 /nfs/dbraw/zinc/67/21/25/356672125.db2.gz NIXDHKHONHHGSQ-BXKDBHETSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@H](N[C@@H](C)C(C)(F)F)c1ccccc1F ZINC000389446113 356672747 /nfs/dbraw/zinc/67/27/47/356672747.db2.gz NIXDHKHONHHGSQ-CABZTGNLSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@@H](N[C@@H](C)C(C)(F)F)c1ccccc1F ZINC000389446114 356672475 /nfs/dbraw/zinc/67/24/75/356672475.db2.gz 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CHQCUIDEFIIPJD-GHMZBOCLSA-N 0 0 227.298 3.689 20 0 BHADRN Cc1cccc([C@@H](C)N[C@@H](C)C(C)(F)F)c1 ZINC000389458322 356678637 /nfs/dbraw/zinc/67/86/37/356678637.db2.gz CHQCUIDEFIIPJD-MNOVXSKESA-N 0 0 227.298 3.689 20 0 BHADRN Cc1cccc([C@H](C)N[C@@H](C)C(C)(F)F)c1 ZINC000389458324 356678723 /nfs/dbraw/zinc/67/87/23/356678723.db2.gz CHQCUIDEFIIPJD-QWRGUYRKSA-N 0 0 227.298 3.689 20 0 BHADRN Cc1cccc([C@H](C)N[C@H](C)C(C)(F)F)c1 ZINC000389458327 356678537 /nfs/dbraw/zinc/67/85/37/356678537.db2.gz CHQCUIDEFIIPJD-WDEREUQCSA-N 0 0 227.298 3.689 20 0 BHADRN C[C@H](NC1CC(c2ccccc2)C1)C(C)(F)F ZINC000389458758 356678335 /nfs/dbraw/zinc/67/83/35/356678335.db2.gz APWQHIAJYBDSII-PKSQDBQZSA-N 0 0 239.309 3.566 20 0 BHADRN C[C@@H](NC1CC(c2ccccc2)C1)C(C)(F)F ZINC000389458934 356678443 /nfs/dbraw/zinc/67/84/43/356678443.db2.gz APWQHIAJYBDSII-QFWMXSHPSA-N 0 0 239.309 3.566 20 0 BHADRN Cc1ccc2c(c1)[C@H](N[C@H](C)C(F)(F)F)CC2 ZINC000389459005 356679076 /nfs/dbraw/zinc/67/90/76/356679076.db2.gz AUTQHLCNMNWFOJ-BXKDBHETSA-N 0 0 243.272 3.523 20 0 BHADRN Cc1ccc2c(c1)[C@@H](N[C@@H](C)C(F)(F)F)CC2 ZINC000389459006 356679100 /nfs/dbraw/zinc/67/91/00/356679100.db2.gz AUTQHLCNMNWFOJ-CABZTGNLSA-N 0 0 243.272 3.523 20 0 BHADRN Cc1ccc2c(c1)[C@H](N[C@@H](C)C(F)(F)F)CC2 ZINC000389459008 356679173 /nfs/dbraw/zinc/67/91/73/356679173.db2.gz AUTQHLCNMNWFOJ-JOYOIKCWSA-N 0 0 243.272 3.523 20 0 BHADRN Cc1ccc2c(c1)[C@@H](N[C@H](C)C(F)(F)F)CC2 ZINC000389459010 356679817 /nfs/dbraw/zinc/67/98/17/356679817.db2.gz AUTQHLCNMNWFOJ-SKDRFNHKSA-N 0 0 243.272 3.523 20 0 BHADRN Cc1cc(C)c(CN[C@H](C)C(F)(F)F)cc1C ZINC000389459090 539016639 /nfs/dbraw/zinc/01/66/39/539016639.db2.gz AXHYPBRMPWKZKT-LLVKDONJSA-N 0 0 245.288 3.652 20 0 BHADRN Cc1cc(C)c(CN[C@@H](C)C(F)(F)F)cc1C ZINC000389459094 539016739 /nfs/dbraw/zinc/01/67/39/539016739.db2.gz AXHYPBRMPWKZKT-NSHDSACASA-N 0 0 245.288 3.652 20 0 BHADRN C[C@@H](N[C@H](C)C(C)(F)F)c1ccc(F)cc1F ZINC000389460641 356680328 /nfs/dbraw/zinc/68/03/28/356680328.db2.gz FQANQQXEXKEYDX-HTQZYQBOSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)C(C)(F)F ZINC000389460642 356680579 /nfs/dbraw/zinc/68/05/79/356680579.db2.gz FQANQQXEXKEYDX-JGVFFNPUSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)C(C)(F)F)c1ccc(F)cc1F ZINC000389460644 356680215 /nfs/dbraw/zinc/68/02/15/356680215.db2.gz FQANQQXEXKEYDX-SFYZADRCSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@H](N[C@@H](C)C(C)(F)F)c1ccc(F)cc1F ZINC000389460645 356680476 /nfs/dbraw/zinc/68/04/76/356680476.db2.gz FQANQQXEXKEYDX-YUMQZZPRSA-N 0 0 249.251 3.659 20 0 BHADRN Cc1ccc(C)c([C@@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000389460971 356680323 /nfs/dbraw/zinc/68/03/23/356680323.db2.gz CQDGGYMKUYDJFL-GHMZBOCLSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccc(C)c([C@@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000389460972 356680523 /nfs/dbraw/zinc/68/05/23/356680523.db2.gz CQDGGYMKUYDJFL-MNOVXSKESA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccc(C)c([C@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000389460973 356680230 /nfs/dbraw/zinc/68/02/30/356680230.db2.gz CQDGGYMKUYDJFL-QWRGUYRKSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccc(C)c([C@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000389460974 356680656 /nfs/dbraw/zinc/68/06/56/356680656.db2.gz CQDGGYMKUYDJFL-WDEREUQCSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccccc1[C@@H](C)N[C@H](C)C(C)(F)F ZINC000389461233 356680366 /nfs/dbraw/zinc/68/03/66/356680366.db2.gz FXJCHKQKDUFUSR-GHMZBOCLSA-N 0 0 227.298 3.689 20 0 BHADRN Cc1ccccc1[C@@H](C)N[C@@H](C)C(C)(F)F ZINC000389461238 356680444 /nfs/dbraw/zinc/68/04/44/356680444.db2.gz FXJCHKQKDUFUSR-MNOVXSKESA-N 0 0 227.298 3.689 20 0 BHADRN Cc1ccccc1[C@H](C)N[C@@H](C)C(C)(F)F ZINC000389461243 356680661 /nfs/dbraw/zinc/68/06/61/356680661.db2.gz FXJCHKQKDUFUSR-QWRGUYRKSA-N 0 0 227.298 3.689 20 0 BHADRN Cc1ccccc1[C@H](C)N[C@H](C)C(C)(F)F ZINC000389461248 356680275 /nfs/dbraw/zinc/68/02/75/356680275.db2.gz FXJCHKQKDUFUSR-WDEREUQCSA-N 0 0 227.298 3.689 20 0 BHADRN O=C(NCC1CCCCCC1)c1ccc(F)cc1 ZINC000389461716 351272777 /nfs/dbraw/zinc/27/27/77/351272777.db2.gz AELLLMYCSXUZLR-UHFFFAOYSA-N 0 0 249.329 3.526 20 0 BHADRN C[C@@H](N[C@H](C)C(C)(F)F)c1ccc(F)c(F)c1 ZINC000389462254 356681558 /nfs/dbraw/zinc/68/15/58/356681558.db2.gz GXGBCZWLIFRXQC-HTQZYQBOSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)C(C)(F)F ZINC000389462255 356680950 /nfs/dbraw/zinc/68/09/50/356680950.db2.gz GXGBCZWLIFRXQC-JGVFFNPUSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)C(C)(F)F)c1ccc(F)c(F)c1 ZINC000389462257 356681414 /nfs/dbraw/zinc/68/14/14/356681414.db2.gz GXGBCZWLIFRXQC-SFYZADRCSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@H](N[C@@H](C)C(C)(F)F)c1ccc(F)c(F)c1 ZINC000389462260 356681043 /nfs/dbraw/zinc/68/10/43/356681043.db2.gz GXGBCZWLIFRXQC-YUMQZZPRSA-N 0 0 249.251 3.659 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H](C)C(C)(F)F)cc1 ZINC000389462651 356681212 /nfs/dbraw/zinc/68/12/12/356681212.db2.gz HHCSZZNGPWQBDF-GHMZBOCLSA-N 0 0 227.298 3.689 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H](C)C(C)(F)F)cc1 ZINC000389462652 356680964 /nfs/dbraw/zinc/68/09/64/356680964.db2.gz HHCSZZNGPWQBDF-MNOVXSKESA-N 0 0 227.298 3.689 20 0 BHADRN C[C@@H](NCc1ccccc1C1CC1)C(F)(F)F ZINC000389462655 398096107 /nfs/dbraw/zinc/09/61/07/398096107.db2.gz FNEJTIJEORANJH-SECBINFHSA-N 0 0 243.272 3.604 20 0 BHADRN C[C@H](NCc1ccccc1C1CC1)C(F)(F)F ZINC000389462656 398096124 /nfs/dbraw/zinc/09/61/24/398096124.db2.gz FNEJTIJEORANJH-VIFPVBQESA-N 0 0 243.272 3.604 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H](C)C(C)(F)F)cc1 ZINC000389462659 356681021 /nfs/dbraw/zinc/68/10/21/356681021.db2.gz HHCSZZNGPWQBDF-QWRGUYRKSA-N 0 0 227.298 3.689 20 0 BHADRN Cc1ccc([C@H](C)N[C@H](C)C(C)(F)F)cc1 ZINC000389462684 356681363 /nfs/dbraw/zinc/68/13/63/356681363.db2.gz HHCSZZNGPWQBDF-WDEREUQCSA-N 0 0 227.298 3.689 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H](C)C(F)(F)F)c(C)c1 ZINC000389463091 356681353 /nfs/dbraw/zinc/68/13/53/356681353.db2.gz FZAMLNKLNWIRQE-GHMZBOCLSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H](C)C(F)(F)F)c(C)c1 ZINC000389463092 356681237 /nfs/dbraw/zinc/68/12/37/356681237.db2.gz FZAMLNKLNWIRQE-MNOVXSKESA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H](C)C(F)(F)F)c(C)c1 ZINC000389463093 356681245 /nfs/dbraw/zinc/68/12/45/356681245.db2.gz FZAMLNKLNWIRQE-QWRGUYRKSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccc([C@H](C)N[C@H](C)C(F)(F)F)c(C)c1 ZINC000389463094 356681137 /nfs/dbraw/zinc/68/11/37/356681137.db2.gz FZAMLNKLNWIRQE-WDEREUQCSA-N 0 0 245.288 3.905 20 0 BHADRN C[C@@H](N[C@@H]1C[C@@H](C)c2ccccc21)C(F)(F)F ZINC000389463155 356681273 /nfs/dbraw/zinc/68/12/73/356681273.db2.gz GDNODHUUUWGJTL-KBVBSXBZSA-N 0 0 243.272 3.775 20 0 BHADRN C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)C(F)(F)F ZINC000389463156 356681372 /nfs/dbraw/zinc/68/13/72/356681372.db2.gz GDNODHUUUWGJTL-LNLATYFQSA-N 0 0 243.272 3.775 20 0 BHADRN C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)C(F)(F)F ZINC000389463157 356681524 /nfs/dbraw/zinc/68/15/24/356681524.db2.gz GDNODHUUUWGJTL-PTRXPTGYSA-N 0 0 243.272 3.775 20 0 BHADRN C[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)C(F)(F)F ZINC000389463158 356680958 /nfs/dbraw/zinc/68/09/58/356680958.db2.gz GDNODHUUUWGJTL-VDDIYKPWSA-N 0 0 243.272 3.775 20 0 BHADRN Cc1ccc2c(c1)[C@@H](N[C@@H](C)C(C)(F)F)CC2 ZINC000389464263 356678273 /nfs/dbraw/zinc/67/82/73/356678273.db2.gz IWDKUINDDJLZMU-GWCFXTLKSA-N 0 0 239.309 3.616 20 0 BHADRN Cc1ccc2c(c1)[C@H](N[C@@H](C)C(C)(F)F)CC2 ZINC000389464264 356678800 /nfs/dbraw/zinc/67/88/00/356678800.db2.gz IWDKUINDDJLZMU-GXFFZTMASA-N 0 0 239.309 3.616 20 0 BHADRN Cc1ccc2c(c1)[C@@H](N[C@H](C)C(C)(F)F)CC2 ZINC000389464267 356678554 /nfs/dbraw/zinc/67/85/54/356678554.db2.gz IWDKUINDDJLZMU-MFKMUULPSA-N 0 0 239.309 3.616 20 0 BHADRN Cc1ccc2c(c1)[C@H](N[C@H](C)C(C)(F)F)CC2 ZINC000389464268 356678530 /nfs/dbraw/zinc/67/85/30/356678530.db2.gz IWDKUINDDJLZMU-ZWNOBZJWSA-N 0 0 239.309 3.616 20 0 BHADRN C[C@@H](NCc1ccc(C2CC2)cc1)C(F)(F)F ZINC000389464472 356679574 /nfs/dbraw/zinc/67/95/74/356679574.db2.gz HNGXGIRQGXBGTN-SECBINFHSA-N 0 0 243.272 3.604 20 0 BHADRN C[C@H](NCc1ccc(C2CC2)cc1)C(F)(F)F ZINC000389464473 356679635 /nfs/dbraw/zinc/67/96/35/356679635.db2.gz HNGXGIRQGXBGTN-VIFPVBQESA-N 0 0 243.272 3.604 20 0 BHADRN C[C@H](N[C@H]1CCCc2ccccc21)C(C)(F)F ZINC000389464737 356679393 /nfs/dbraw/zinc/67/93/93/356679393.db2.gz HSHSCGVCAVKVGU-GWCFXTLKSA-N 0 0 239.309 3.697 20 0 BHADRN C[C@H](N[C@@H]1CCCc2ccccc21)C(C)(F)F ZINC000389464738 356679430 /nfs/dbraw/zinc/67/94/30/356679430.db2.gz HSHSCGVCAVKVGU-GXFFZTMASA-N 0 0 239.309 3.697 20 0 BHADRN C[C@@H](N[C@H]1CCCc2ccccc21)C(C)(F)F ZINC000389464739 356679496 /nfs/dbraw/zinc/67/94/96/356679496.db2.gz HSHSCGVCAVKVGU-MFKMUULPSA-N 0 0 239.309 3.697 20 0 BHADRN C[C@@H](N[C@@H]1CCCc2ccccc21)C(C)(F)F ZINC000389464740 356679770 /nfs/dbraw/zinc/67/97/70/356679770.db2.gz HSHSCGVCAVKVGU-ZWNOBZJWSA-N 0 0 239.309 3.697 20 0 BHADRN C[C@@H](NCc1coc2ccccc12)C(C)(F)F ZINC000389464955 356679843 /nfs/dbraw/zinc/67/98/43/356679843.db2.gz HZBJOVCVFXCYKC-SECBINFHSA-N 0 0 239.265 3.566 20 0 BHADRN C[C@H](NCc1coc2ccccc12)C(C)(F)F ZINC000389464969 356679895 /nfs/dbraw/zinc/67/98/95/356679895.db2.gz HZBJOVCVFXCYKC-VIFPVBQESA-N 0 0 239.265 3.566 20 0 BHADRN Cc1cc(C)cc([C@@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000389467043 356682320 /nfs/dbraw/zinc/68/23/20/356682320.db2.gz LWUJSWCCLGMOOL-GHMZBOCLSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1cc(C)cc([C@@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000389467045 356682053 /nfs/dbraw/zinc/68/20/53/356682053.db2.gz LWUJSWCCLGMOOL-MNOVXSKESA-N 0 0 245.288 3.905 20 0 BHADRN Cc1cc(C)cc([C@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000389467047 356681966 /nfs/dbraw/zinc/68/19/66/356681966.db2.gz LWUJSWCCLGMOOL-QWRGUYRKSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1cc(C)cc([C@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000389467048 356681920 /nfs/dbraw/zinc/68/19/20/356681920.db2.gz LWUJSWCCLGMOOL-WDEREUQCSA-N 0 0 245.288 3.905 20 0 BHADRN C[C@H](CCN[C@@H](C)C(C)(F)F)c1ccccc1 ZINC000389467523 356682100 /nfs/dbraw/zinc/68/21/00/356682100.db2.gz MKTLLRJUCSVSGG-NEPJUHHUSA-N 0 0 241.325 3.814 20 0 BHADRN C[C@@H](NCC[C@H](C)c1ccccc1)C(C)(F)F ZINC000389467524 356682484 /nfs/dbraw/zinc/68/24/84/356682484.db2.gz MKTLLRJUCSVSGG-NWDGAFQWSA-N 0 0 241.325 3.814 20 0 BHADRN C[C@@H](CCN[C@@H](C)C(C)(F)F)c1ccccc1 ZINC000389467525 356681896 /nfs/dbraw/zinc/68/18/96/356681896.db2.gz MKTLLRJUCSVSGG-RYUDHWBXSA-N 0 0 241.325 3.814 20 0 BHADRN C[C@H](CCN[C@H](C)C(C)(F)F)c1ccccc1 ZINC000389467526 356682500 /nfs/dbraw/zinc/68/25/00/356682500.db2.gz MKTLLRJUCSVSGG-VXGBXAGGSA-N 0 0 241.325 3.814 20 0 BHADRN C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)C(C)(F)F ZINC000389467546 356682150 /nfs/dbraw/zinc/68/21/50/356682150.db2.gz KVKNNWONYBIIKP-BREBYQMCSA-N 0 0 239.309 3.868 20 0 BHADRN C[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)C(C)(F)F ZINC000389467547 356682210 /nfs/dbraw/zinc/68/22/10/356682210.db2.gz KVKNNWONYBIIKP-GBIKHYSHSA-N 0 0 239.309 3.868 20 0 BHADRN C[C@@H](N[C@@H]1C[C@@H](C)c2ccccc21)C(C)(F)F ZINC000389467548 356682042 /nfs/dbraw/zinc/68/20/42/356682042.db2.gz KVKNNWONYBIIKP-GIPNMCIBSA-N 0 0 239.309 3.868 20 0 BHADRN C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)C(C)(F)F ZINC000389467549 356682172 /nfs/dbraw/zinc/68/21/72/356682172.db2.gz KVKNNWONYBIIKP-NRUUGDAUSA-N 0 0 239.309 3.868 20 0 BHADRN C[C@@H](N[C@H](C)C(C)(F)F)c1cc(F)cc(F)c1 ZINC000389467652 356681958 /nfs/dbraw/zinc/68/19/58/356681958.db2.gz MOEJBQSBZUJGRS-HTQZYQBOSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)C(C)(F)F ZINC000389467658 356682158 /nfs/dbraw/zinc/68/21/58/356682158.db2.gz MOEJBQSBZUJGRS-JGVFFNPUSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)C(C)(F)F)c1cc(F)cc(F)c1 ZINC000389467666 356682028 /nfs/dbraw/zinc/68/20/28/356682028.db2.gz MOEJBQSBZUJGRS-SFYZADRCSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@H](N[C@@H](C)C(C)(F)F)c1cc(F)cc(F)c1 ZINC000389467669 356682005 /nfs/dbraw/zinc/68/20/05/356682005.db2.gz MOEJBQSBZUJGRS-YUMQZZPRSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@H](NCc1ccc(C2CC2)cc1)C(C)(F)F ZINC000389468189 356682055 /nfs/dbraw/zinc/68/20/55/356682055.db2.gz NATOIRQNEAHKCO-JTQLQIEISA-N 0 0 239.309 3.697 20 0 BHADRN C[C@@H](NCc1ccc(C2CC2)cc1)C(C)(F)F ZINC000389468190 356682374 /nfs/dbraw/zinc/68/23/74/356682374.db2.gz NATOIRQNEAHKCO-SNVBAGLBSA-N 0 0 239.309 3.697 20 0 BHADRN CC[C@@H](N[C@@H](C)C(C)(F)F)c1ccccc1 ZINC000389468625 356682347 /nfs/dbraw/zinc/68/23/47/356682347.db2.gz NJBJEDMTGWZDBR-CMPLNLGQSA-N 0 0 227.298 3.771 20 0 BHADRN CC[C@H](N[C@@H](C)C(C)(F)F)c1ccccc1 ZINC000389468626 356682264 /nfs/dbraw/zinc/68/22/64/356682264.db2.gz NJBJEDMTGWZDBR-JQWIXIFHSA-N 0 0 227.298 3.771 20 0 BHADRN CC[C@H](N[C@H](C)C(C)(F)F)c1ccccc1 ZINC000389468628 356682422 /nfs/dbraw/zinc/68/24/22/356682422.db2.gz NJBJEDMTGWZDBR-PWSUYJOCSA-N 0 0 227.298 3.771 20 0 BHADRN CC[C@@H](N[C@H](C)C(C)(F)F)c1ccccc1 ZINC000389468629 356682113 /nfs/dbraw/zinc/68/21/13/356682113.db2.gz NJBJEDMTGWZDBR-ZYHUDNBSSA-N 0 0 227.298 3.771 20 0 BHADRN C[C@@H](N[C@@H]1CCCc2sccc21)C(C)(F)F ZINC000389468811 356682037 /nfs/dbraw/zinc/68/20/37/356682037.db2.gz MEWXGUYIGWEPTC-PSASIEDQSA-N 0 0 245.338 3.759 20 0 BHADRN C[C@@H](N[C@H]1CCCc2sccc21)C(C)(F)F ZINC000389468813 356682281 /nfs/dbraw/zinc/68/22/81/356682281.db2.gz MEWXGUYIGWEPTC-SCZZXKLOSA-N 0 0 245.338 3.759 20 0 BHADRN C[C@H](N[C@@H]1CCCc2sccc21)C(C)(F)F ZINC000389468817 356682085 /nfs/dbraw/zinc/68/20/85/356682085.db2.gz MEWXGUYIGWEPTC-WCBMZHEXSA-N 0 0 245.338 3.759 20 0 BHADRN C[C@H](N[C@H]1CCCc2sccc21)C(C)(F)F ZINC000389468820 356682509 /nfs/dbraw/zinc/68/25/09/356682509.db2.gz MEWXGUYIGWEPTC-WPRPVWTQSA-N 0 0 245.338 3.759 20 0 BHADRN CSc1ccc(CN[C@H](C)C(C)(F)F)cc1 ZINC000389469224 356683650 /nfs/dbraw/zinc/68/36/50/356683650.db2.gz MHWKVTXNNOHEFQ-SECBINFHSA-N 0 0 245.338 3.542 20 0 BHADRN CSc1ccc(CN[C@@H](C)C(C)(F)F)cc1 ZINC000389469226 356683895 /nfs/dbraw/zinc/68/38/95/356683895.db2.gz MHWKVTXNNOHEFQ-VIFPVBQESA-N 0 0 245.338 3.542 20 0 BHADRN C[C@@H](NCc1ccc(C(F)F)cc1)C(C)(F)F ZINC000389469326 356684202 /nfs/dbraw/zinc/68/42/02/356684202.db2.gz OJTMPNNIYCUIRO-MRVPVSSYSA-N 0 0 249.251 3.758 20 0 BHADRN C[C@H](NCc1ccc(C(F)F)cc1)C(C)(F)F ZINC000389469327 356683706 /nfs/dbraw/zinc/68/37/06/356683706.db2.gz OJTMPNNIYCUIRO-QMMMGPOBSA-N 0 0 249.251 3.758 20 0 BHADRN C[C@H](NCc1ccc(Cl)s1)C(C)(F)F ZINC000389469782 356684392 /nfs/dbraw/zinc/68/43/92/356684392.db2.gz NEFHDFWYHIRVRU-LURJTMIESA-N 0 0 239.718 3.535 20 0 BHADRN C[C@@H](NCc1ccc(Cl)s1)C(C)(F)F ZINC000389469784 356683664 /nfs/dbraw/zinc/68/36/64/356683664.db2.gz NEFHDFWYHIRVRU-ZCFIWIBFSA-N 0 0 239.718 3.535 20 0 BHADRN CCc1ccc([C@@H](C)N[C@H](C)C(F)(F)F)cc1 ZINC000389470446 356684422 /nfs/dbraw/zinc/68/44/22/356684422.db2.gz QAULJOCILLKIQQ-NXEZZACHSA-N 0 0 245.288 3.850 20 0 BHADRN CCc1ccc([C@H](C)N[C@@H](C)C(F)(F)F)cc1 ZINC000389470448 356684299 /nfs/dbraw/zinc/68/42/99/356684299.db2.gz QAULJOCILLKIQQ-UWVGGRQHSA-N 0 0 245.288 3.850 20 0 BHADRN CCc1ccc([C@H](C)N[C@H](C)C(F)(F)F)cc1 ZINC000389470449 356683882 /nfs/dbraw/zinc/68/38/82/356683882.db2.gz QAULJOCILLKIQQ-VHSXEESVSA-N 0 0 245.288 3.850 20 0 BHADRN CCc1ccc([C@@H](C)N[C@@H](C)C(F)(F)F)cc1 ZINC000389470451 356683672 /nfs/dbraw/zinc/68/36/72/356683672.db2.gz QAULJOCILLKIQQ-ZJUUUORDSA-N 0 0 245.288 3.850 20 0 BHADRN C[C@@H](N[C@H](C)C(C)(F)F)c1cccc(F)c1F ZINC000389474812 356684612 /nfs/dbraw/zinc/68/46/12/356684612.db2.gz XKTFISIXBRYYFN-HTQZYQBOSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)c1cccc(F)c1F)C(C)(F)F ZINC000389474813 356685107 /nfs/dbraw/zinc/68/51/07/356685107.db2.gz XKTFISIXBRYYFN-JGVFFNPUSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)C(C)(F)F)c1cccc(F)c1F ZINC000389474814 356684842 /nfs/dbraw/zinc/68/48/42/356684842.db2.gz XKTFISIXBRYYFN-SFYZADRCSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@H](N[C@@H](C)C(C)(F)F)c1cccc(F)c1F ZINC000389474815 356685227 /nfs/dbraw/zinc/68/52/27/356685227.db2.gz XKTFISIXBRYYFN-YUMQZZPRSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@H](NCc1cccc(C2CC2)c1)C(C)(F)F ZINC000389475401 356685161 /nfs/dbraw/zinc/68/51/61/356685161.db2.gz YKDVHVUBMPJGHL-JTQLQIEISA-N 0 0 239.309 3.697 20 0 BHADRN C[C@@H](NCc1cccc(C2CC2)c1)C(C)(F)F ZINC000389475403 356685220 /nfs/dbraw/zinc/68/52/20/356685220.db2.gz YKDVHVUBMPJGHL-SNVBAGLBSA-N 0 0 239.309 3.697 20 0 BHADRN C[C@@H](N[C@H](C)C(C)(F)F)c1cc(F)ccc1F ZINC000389475964 356685040 /nfs/dbraw/zinc/68/50/40/356685040.db2.gz ZKVHLFPGOKNNIP-HTQZYQBOSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)C(C)(F)F ZINC000389475965 356685133 /nfs/dbraw/zinc/68/51/33/356685133.db2.gz ZKVHLFPGOKNNIP-JGVFFNPUSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)C(C)(F)F)c1cc(F)ccc1F ZINC000389475966 356684647 /nfs/dbraw/zinc/68/46/47/356684647.db2.gz ZKVHLFPGOKNNIP-SFYZADRCSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@H](N[C@@H](C)C(C)(F)F)c1cc(F)ccc1F ZINC000389475967 356684917 /nfs/dbraw/zinc/68/49/17/356684917.db2.gz ZKVHLFPGOKNNIP-YUMQZZPRSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](N[C@@H](C)C(C)(F)F)c1ccccc1F ZINC000389477116 356684909 /nfs/dbraw/zinc/68/49/09/356684909.db2.gz AJEFHCWVORSSIT-BDAKNGLRSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@@H](N[C@@H](C)c1ccccc1F)C(C)(F)F ZINC000389477117 356685070 /nfs/dbraw/zinc/68/50/70/356685070.db2.gz AJEFHCWVORSSIT-DTWKUNHWSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@H](N[C@@H](C)C(C)(F)F)c1ccccc1F ZINC000389477118 356684716 /nfs/dbraw/zinc/68/47/16/356684716.db2.gz AJEFHCWVORSSIT-IUCAKERBSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@@H](N[C@H](C)C(C)(F)F)c1ccccc1F ZINC000389477119 356684822 /nfs/dbraw/zinc/68/48/22/356684822.db2.gz AJEFHCWVORSSIT-RKDXNWHRSA-N 0 0 231.261 3.520 20 0 BHADRN Cc1cc([C@@H](C)N[C@H](C)C(C)(F)F)c(C)o1 ZINC000389479174 356685969 /nfs/dbraw/zinc/68/59/69/356685969.db2.gz CYTSNSOVMIZTEE-PSASIEDQSA-N 0 0 231.286 3.591 20 0 BHADRN Cc1cc([C@@H](C)N[C@@H](C)C(C)(F)F)c(C)o1 ZINC000389479175 356686242 /nfs/dbraw/zinc/68/62/42/356686242.db2.gz CYTSNSOVMIZTEE-SCZZXKLOSA-N 0 0 231.286 3.591 20 0 BHADRN Cc1cc([C@H](C)N[C@H](C)C(C)(F)F)c(C)o1 ZINC000389479176 356685926 /nfs/dbraw/zinc/68/59/26/356685926.db2.gz CYTSNSOVMIZTEE-WCBMZHEXSA-N 0 0 231.286 3.591 20 0 BHADRN Cc1cc([C@H](C)N[C@@H](C)C(C)(F)F)c(C)o1 ZINC000389479177 356686021 /nfs/dbraw/zinc/68/60/21/356686021.db2.gz CYTSNSOVMIZTEE-WPRPVWTQSA-N 0 0 231.286 3.591 20 0 BHADRN C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(F)(F)F ZINC000389479193 711080168 /nfs/dbraw/zinc/08/01/68/711080168.db2.gz DAMYYKZBTNDHGS-FIQHERPVSA-N 0 0 249.320 3.886 20 0 BHADRN C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(F)(F)F ZINC000389479195 711080209 /nfs/dbraw/zinc/08/02/09/711080209.db2.gz DAMYYKZBTNDHGS-IRCOFANPSA-N 0 0 249.320 3.886 20 0 BHADRN C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(F)(F)F ZINC000389479196 711080698 /nfs/dbraw/zinc/08/06/98/711080698.db2.gz DAMYYKZBTNDHGS-NNYUYHANSA-N 0 0 249.320 3.886 20 0 BHADRN C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(F)(F)F ZINC000389479199 711080735 /nfs/dbraw/zinc/08/07/35/711080735.db2.gz DAMYYKZBTNDHGS-WHOHXGKFSA-N 0 0 249.320 3.886 20 0 BHADRN CC(C)c1ccc(CN[C@@H](C)C(F)(F)F)cc1 ZINC000389479633 539016704 /nfs/dbraw/zinc/01/67/04/539016704.db2.gz SXYDWYDNRMIMSY-JTQLQIEISA-N 0 0 245.288 3.850 20 0 BHADRN CC(C)c1ccc(CN[C@H](C)C(F)(F)F)cc1 ZINC000389479634 539016508 /nfs/dbraw/zinc/01/65/08/539016508.db2.gz SXYDWYDNRMIMSY-SNVBAGLBSA-N 0 0 245.288 3.850 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H](C)C(F)(F)F)cc1C ZINC000389479740 356687657 /nfs/dbraw/zinc/68/76/57/356687657.db2.gz TZEQBBCNTTWRBD-GHMZBOCLSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H](C)C(F)(F)F)cc1C ZINC000389479742 356687264 /nfs/dbraw/zinc/68/72/64/356687264.db2.gz TZEQBBCNTTWRBD-MNOVXSKESA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H](C)C(F)(F)F)cc1C ZINC000389479744 356686762 /nfs/dbraw/zinc/68/67/62/356686762.db2.gz TZEQBBCNTTWRBD-QWRGUYRKSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1ccc([C@H](C)N[C@H](C)C(F)(F)F)cc1C ZINC000389479746 356686523 /nfs/dbraw/zinc/68/65/23/356686523.db2.gz TZEQBBCNTTWRBD-WDEREUQCSA-N 0 0 245.288 3.905 20 0 BHADRN C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)C(C)(F)F ZINC000389479760 356686949 /nfs/dbraw/zinc/68/69/49/356686949.db2.gz UASGKDKJHJPKPZ-HTQZYQBOSA-N 0 0 247.251 3.741 20 0 BHADRN C[C@@H](N[C@@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389480016 356687926 /nfs/dbraw/zinc/68/79/26/356687926.db2.gz DXTIAGJQFJTORJ-BDAKNGLRSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@@H](N[C@@H](C)c1cccc(F)c1)C(C)(F)F ZINC000389480024 356687986 /nfs/dbraw/zinc/68/79/86/356687986.db2.gz DXTIAGJQFJTORJ-DTWKUNHWSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@H](N[C@@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389480025 356687607 /nfs/dbraw/zinc/68/76/07/356687607.db2.gz DXTIAGJQFJTORJ-IUCAKERBSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@@H](N[C@H](C)C(C)(F)F)c1cccc(F)c1 ZINC000389480026 356688148 /nfs/dbraw/zinc/68/81/48/356688148.db2.gz DXTIAGJQFJTORJ-RKDXNWHRSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@H](NCc1cc(Cl)cs1)C(C)(F)F ZINC000389481223 356687958 /nfs/dbraw/zinc/68/79/58/356687958.db2.gz VLMDORVINRRMDY-LURJTMIESA-N 0 0 239.718 3.535 20 0 BHADRN C[C@@H](NCc1cc(Cl)cs1)C(C)(F)F ZINC000389481224 356688142 /nfs/dbraw/zinc/68/81/42/356688142.db2.gz VLMDORVINRRMDY-ZCFIWIBFSA-N 0 0 239.718 3.535 20 0 BHADRN Cc1cc([C@@H](C)N[C@@H](C)C(C)(F)F)cs1 ZINC000389482305 356689220 /nfs/dbraw/zinc/68/92/20/356689220.db2.gz HMNNPHIVCPHKLY-BDAKNGLRSA-N 0 0 233.327 3.751 20 0 BHADRN Cc1cc([C@H](C)N[C@H](C)C(C)(F)F)cs1 ZINC000389482307 356688981 /nfs/dbraw/zinc/68/89/81/356688981.db2.gz HMNNPHIVCPHKLY-DTWKUNHWSA-N 0 0 233.327 3.751 20 0 BHADRN Cc1cc([C@H](C)N[C@@H](C)C(C)(F)F)cs1 ZINC000389482308 356689170 /nfs/dbraw/zinc/68/91/70/356689170.db2.gz HMNNPHIVCPHKLY-IUCAKERBSA-N 0 0 233.327 3.751 20 0 BHADRN Cc1cc([C@@H](C)N[C@H](C)C(C)(F)F)cs1 ZINC000389482310 356689085 /nfs/dbraw/zinc/68/90/85/356689085.db2.gz HMNNPHIVCPHKLY-RKDXNWHRSA-N 0 0 233.327 3.751 20 0 BHADRN C[C@@H](NCc1cc2ccccc2o1)C(C)(F)F ZINC000389482557 356688779 /nfs/dbraw/zinc/68/87/79/356688779.db2.gz XKECBCGIAAIRMO-SECBINFHSA-N 0 0 239.265 3.566 20 0 BHADRN C[C@H](NCc1cc2ccccc2o1)C(C)(F)F ZINC000389482558 356689006 /nfs/dbraw/zinc/68/90/06/356689006.db2.gz XKECBCGIAAIRMO-VIFPVBQESA-N 0 0 239.265 3.566 20 0 BHADRN C[C@@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(C)(F)F ZINC000389483780 356689677 /nfs/dbraw/zinc/68/96/77/356689677.db2.gz JOADPQKJBOGUPJ-FXPVBKGRSA-N 0 0 243.297 3.536 20 0 BHADRN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(C)(F)F ZINC000389483784 356689962 /nfs/dbraw/zinc/68/99/62/356689962.db2.gz JOADPQKJBOGUPJ-KKZNHRDASA-N 0 0 243.297 3.536 20 0 BHADRN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(C)(F)F ZINC000389483786 356689755 /nfs/dbraw/zinc/68/97/55/356689755.db2.gz JOADPQKJBOGUPJ-WCABBAIRSA-N 0 0 243.297 3.536 20 0 BHADRN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(C)(F)F ZINC000389483790 356689897 /nfs/dbraw/zinc/68/98/97/356689897.db2.gz JOADPQKJBOGUPJ-YWVKMMECSA-N 0 0 243.297 3.536 20 0 BHADRN C[C@@H](NCc1cccc(C2CC2)c1)C(F)(F)F ZINC000389484146 398087439 /nfs/dbraw/zinc/08/74/39/398087439.db2.gz ZLRZEGZWQPOXHA-SECBINFHSA-N 0 0 243.272 3.604 20 0 BHADRN C[C@H](NCc1cccc(C2CC2)c1)C(F)(F)F ZINC000389484147 356691249 /nfs/dbraw/zinc/69/12/49/356691249.db2.gz ZLRZEGZWQPOXHA-VIFPVBQESA-N 0 0 243.272 3.604 20 0 BHADRN CC[C@@H](N[C@H](C)C(C)(F)F)c1ccsc1 ZINC000389489926 356693117 /nfs/dbraw/zinc/69/31/17/356693117.db2.gz QWJMRBGZZRDSOV-PSASIEDQSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@H](N[C@H](C)C(C)(F)F)c1ccsc1 ZINC000389489927 356693740 /nfs/dbraw/zinc/69/37/40/356693740.db2.gz QWJMRBGZZRDSOV-SCZZXKLOSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@@H](N[C@@H](C)C(C)(F)F)c1ccsc1 ZINC000389489928 356693421 /nfs/dbraw/zinc/69/34/21/356693421.db2.gz QWJMRBGZZRDSOV-WCBMZHEXSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@H](N[C@@H](C)C(C)(F)F)c1ccsc1 ZINC000389489949 358426495 /nfs/dbraw/zinc/42/64/95/358426495.db2.gz QWJMRBGZZRDSOV-WPRPVWTQSA-N 0 0 233.327 3.833 20 0 BHADRN C[C@H](NCc1sccc1Cl)C(C)(F)F ZINC000389490639 356693651 /nfs/dbraw/zinc/69/36/51/356693651.db2.gz RMULKFSAYBYRDE-LURJTMIESA-N 0 0 239.718 3.535 20 0 BHADRN C[C@@H](NCc1sccc1Cl)C(C)(F)F ZINC000389490641 356693459 /nfs/dbraw/zinc/69/34/59/356693459.db2.gz RMULKFSAYBYRDE-ZCFIWIBFSA-N 0 0 239.718 3.535 20 0 BHADRN C[C@@H](N[C@@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389492107 356693720 /nfs/dbraw/zinc/69/37/20/356693720.db2.gz UFYUMSVIJRJELA-BDAKNGLRSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@@H](N[C@@H](C)c1ccc(F)cc1)C(C)(F)F ZINC000389492108 356693385 /nfs/dbraw/zinc/69/33/85/356693385.db2.gz UFYUMSVIJRJELA-DTWKUNHWSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@H](N[C@@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389492110 356693292 /nfs/dbraw/zinc/69/32/92/356693292.db2.gz UFYUMSVIJRJELA-IUCAKERBSA-N 0 0 231.261 3.520 20 0 BHADRN C[C@@H](N[C@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000389492112 356693280 /nfs/dbraw/zinc/69/32/80/356693280.db2.gz UFYUMSVIJRJELA-RKDXNWHRSA-N 0 0 231.261 3.520 20 0 BHADRN CCC1(NC(=O)c2ccccc2)CCCCC1 ZINC000389534085 356973943 /nfs/dbraw/zinc/97/39/43/356973943.db2.gz JDGCAKMMSVGQIE-UHFFFAOYSA-N 0 0 231.339 3.529 20 0 BHADRN CCC1(NC(=O)c2cccs2)CCCCC1 ZINC000389553303 356988281 /nfs/dbraw/zinc/98/82/81/356988281.db2.gz SLPCJZATJNJKKQ-UHFFFAOYSA-N 0 0 237.368 3.591 20 0 BHADRN COc1cc(NCC2CCCCCC2)ccc1N ZINC000389555991 711080098 /nfs/dbraw/zinc/08/00/98/711080098.db2.gz VAZYPCMUUKOXJI-UHFFFAOYSA-N 0 0 248.370 3.660 20 0 BHADRN C[C@@H](NCc1cscc1Cl)c1ccoc1 ZINC000389596492 711081253 /nfs/dbraw/zinc/08/12/53/711081253.db2.gz PWZWFHMETIBCLE-MRVPVSSYSA-N 0 0 241.743 3.845 20 0 BHADRN C[C@H](NCc1cscc1Cl)c1ccoc1 ZINC000389596497 711081862 /nfs/dbraw/zinc/08/18/62/711081862.db2.gz PWZWFHMETIBCLE-QMMMGPOBSA-N 0 0 241.743 3.845 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)C2CCC2)c1 ZINC000389599484 357001220 /nfs/dbraw/zinc/00/12/20/357001220.db2.gz SONOOWYHHWKMRZ-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)C2CCC2)c1 ZINC000389599485 352146672 /nfs/dbraw/zinc/14/66/72/352146672.db2.gz SONOOWYHHWKMRZ-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccc2ccoc2c1 ZINC000389603774 357002285 /nfs/dbraw/zinc/00/22/85/357002285.db2.gz WRQCDFYCKFIHGJ-GXSJLCMTSA-N 0 0 201.269 3.501 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccc2ccoc2c1 ZINC000389603776 357002313 /nfs/dbraw/zinc/00/23/13/357002313.db2.gz WRQCDFYCKFIHGJ-KOLCDFICSA-N 0 0 201.269 3.501 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccc2ccoc2c1 ZINC000389603778 357001795 /nfs/dbraw/zinc/00/17/95/357001795.db2.gz WRQCDFYCKFIHGJ-MWLCHTKSSA-N 0 0 201.269 3.501 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccc2ccoc2c1 ZINC000389603781 357002110 /nfs/dbraw/zinc/00/21/10/357002110.db2.gz WRQCDFYCKFIHGJ-ONGXEEELSA-N 0 0 201.269 3.501 20 0 BHADRN CC1(CNc2cccc(C(F)F)c2)CC1 ZINC000389610790 357002882 /nfs/dbraw/zinc/00/28/82/357002882.db2.gz DIOBEUFDBRYDDW-UHFFFAOYSA-N 0 0 211.255 3.836 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)C1CCC1 ZINC000389634652 357007010 /nfs/dbraw/zinc/00/70/10/357007010.db2.gz NQVJOUADVXBEEU-JTQLQIEISA-N 0 0 207.292 3.735 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)C1CCC1 ZINC000389634663 357006980 /nfs/dbraw/zinc/00/69/80/357006980.db2.gz NQVJOUADVXBEEU-SNVBAGLBSA-N 0 0 207.292 3.735 20 0 BHADRN Cc1ccc(OCCSC(C)C)cc1C ZINC000389652097 357010353 /nfs/dbraw/zinc/01/03/53/357010353.db2.gz WRFRYFFKFJMZLT-UHFFFAOYSA-N 0 0 224.369 3.824 20 0 BHADRN Cc1cc(C)cc(N[C@H](C)C2CCC2)c1 ZINC000389654344 357010416 /nfs/dbraw/zinc/01/04/16/357010416.db2.gz YAIAVOOYQGZJEI-GFCCVEGCSA-N 0 0 203.329 3.904 20 0 BHADRN Cc1cc(C)cc(N[C@@H](C)C2CCC2)c1 ZINC000389654346 357010411 /nfs/dbraw/zinc/01/04/11/357010411.db2.gz YAIAVOOYQGZJEI-LBPRGKRZSA-N 0 0 203.329 3.904 20 0 BHADRN c1cc(C2CC2)ccc1NCCC1CC1 ZINC000389654655 539016863 /nfs/dbraw/zinc/01/68/63/539016863.db2.gz YHQVLUZNJGDQJY-UHFFFAOYSA-N 0 0 201.313 3.776 20 0 BHADRN C/C=C\C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000389682390 711087023 /nfs/dbraw/zinc/08/70/23/711087023.db2.gz PLQQWZNLDVKUAN-IHWYPQMZSA-N 0 0 248.084 3.647 20 0 BHADRN O=C(NCC1CCCCCC1)c1ccccc1F ZINC000389705900 356883501 /nfs/dbraw/zinc/88/35/01/356883501.db2.gz DCXDZEJYVSFLOY-UHFFFAOYSA-N 0 0 249.329 3.526 20 0 BHADRN Cc1cccc(O[C@H](C)CC(C)C)c1F ZINC000389735012 357021842 /nfs/dbraw/zinc/02/18/42/357021842.db2.gz UELQHKYMKBFWRH-LLVKDONJSA-N 0 0 210.292 3.948 20 0 BHADRN Cc1cccc(O[C@@H](C)CC(C)C)c1F ZINC000389735017 357022028 /nfs/dbraw/zinc/02/20/28/357022028.db2.gz UELQHKYMKBFWRH-NSHDSACASA-N 0 0 210.292 3.948 20 0 BHADRN C[C@H]1C[C@@H]1CNc1cccc2ccsc21 ZINC000389746473 357021590 /nfs/dbraw/zinc/02/15/90/357021590.db2.gz XRZOFBDQSCZDFS-GXSJLCMTSA-N 0 0 217.337 3.969 20 0 BHADRN C[C@@H]1C[C@H]1CNc1cccc2ccsc21 ZINC000389746476 357022054 /nfs/dbraw/zinc/02/20/54/357022054.db2.gz XRZOFBDQSCZDFS-KOLCDFICSA-N 0 0 217.337 3.969 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1cccc2ccsc21 ZINC000389746479 357022020 /nfs/dbraw/zinc/02/20/20/357022020.db2.gz XRZOFBDQSCZDFS-MWLCHTKSSA-N 0 0 217.337 3.969 20 0 BHADRN C[C@H]1C[C@H]1CNc1cccc2ccsc21 ZINC000389746480 357021566 /nfs/dbraw/zinc/02/15/66/357021566.db2.gz XRZOFBDQSCZDFS-ONGXEEELSA-N 0 0 217.337 3.969 20 0 BHADRN CC1(CNc2ccc3ccoc3c2)CC1 ZINC000389748189 357022720 /nfs/dbraw/zinc/02/27/20/357022720.db2.gz YCTUCLHUHYLXGA-UHFFFAOYSA-N 0 0 201.269 3.645 20 0 BHADRN CCC1(NC(=O)c2ccccc2F)CCCCC1 ZINC000389776310 357028131 /nfs/dbraw/zinc/02/81/31/357028131.db2.gz YFEZOWMYKIGRRL-UHFFFAOYSA-N 0 0 249.329 3.668 20 0 BHADRN CSc1ccc(NCC2(F)CC2)cc1Cl ZINC000389834009 357050373 /nfs/dbraw/zinc/05/03/73/357050373.db2.gz CGBQVAKNDOYXBY-UHFFFAOYSA-N 0 0 245.750 3.976 20 0 BHADRN CCCCCNc1c(C)cccc1OC ZINC000389841001 490140395 /nfs/dbraw/zinc/14/03/95/490140395.db2.gz JKOXBJJPBNIMAQ-UHFFFAOYSA-N 0 0 207.317 3.606 20 0 BHADRN Cc1cccc(NC[C@@H]2CC2(Cl)Cl)c1C ZINC000389846910 711092519 /nfs/dbraw/zinc/09/25/19/711092519.db2.gz OQACWRGXIHBXGG-JTQLQIEISA-N 0 0 244.165 3.909 20 0 BHADRN Cc1cccc(NC[C@H]2CC2(Cl)Cl)c1C ZINC000389846911 711092702 /nfs/dbraw/zinc/09/27/02/711092702.db2.gz OQACWRGXIHBXGG-SNVBAGLBSA-N 0 0 244.165 3.909 20 0 BHADRN Cc1cnc(NCc2cc(C)sc2C)s1 ZINC000389850736 357053960 /nfs/dbraw/zinc/05/39/60/357053960.db2.gz VBGMJSWDMWQGFS-UHFFFAOYSA-N 0 0 238.381 3.742 20 0 BHADRN CCSc1cccc(NC[C@H]2C[C@H]2C)c1 ZINC000389850930 352566456 /nfs/dbraw/zinc/56/64/56/352566456.db2.gz VHJGKNQDADFXRF-GHMZBOCLSA-N 0 0 221.369 3.867 20 0 BHADRN CCSc1cccc(NC[C@@H]2C[C@H]2C)c1 ZINC000389850931 352566204 /nfs/dbraw/zinc/56/62/04/352566204.db2.gz VHJGKNQDADFXRF-MNOVXSKESA-N 0 0 221.369 3.867 20 0 BHADRN CCSc1cccc(NC[C@@H]2C[C@@H]2C)c1 ZINC000389850932 357053973 /nfs/dbraw/zinc/05/39/73/357053973.db2.gz VHJGKNQDADFXRF-QWRGUYRKSA-N 0 0 221.369 3.867 20 0 BHADRN CCSc1cccc(NC[C@H]2C[C@@H]2C)c1 ZINC000389850933 357053943 /nfs/dbraw/zinc/05/39/43/357053943.db2.gz VHJGKNQDADFXRF-WDEREUQCSA-N 0 0 221.369 3.867 20 0 BHADRN Cc1ccccc1N[C@@H]1CC[C@H]1C(C)C ZINC000389855747 538866752 /nfs/dbraw/zinc/86/67/52/538866752.db2.gz AUQRLFRVOGODFL-GXTWGEPZSA-N 0 0 203.329 3.842 20 0 BHADRN Cc1ccccc1N[C@H]1CC[C@H]1C(C)C ZINC000389855749 539018006 /nfs/dbraw/zinc/01/80/06/539018006.db2.gz AUQRLFRVOGODFL-JSGCOSHPSA-N 0 0 203.329 3.842 20 0 BHADRN Cc1ccccc1N[C@H]1CC[C@@H]1C(C)C ZINC000389855750 538866935 /nfs/dbraw/zinc/86/69/35/538866935.db2.gz AUQRLFRVOGODFL-OCCSQVGLSA-N 0 0 203.329 3.842 20 0 BHADRN Cc1ccccc1N[C@@H]1CC[C@@H]1C(C)C ZINC000389855751 539017926 /nfs/dbraw/zinc/01/79/26/539017926.db2.gz AUQRLFRVOGODFL-TZMCWYRMSA-N 0 0 203.329 3.842 20 0 BHADRN CCc1cc(NC[C@@H](F)CC)ccc1F ZINC000389865369 357056408 /nfs/dbraw/zinc/05/64/08/357056408.db2.gz GLOGICUFNHNLNX-JTQLQIEISA-N 0 0 213.271 3.548 20 0 BHADRN CCc1cc(NC[C@H](F)CC)ccc1F ZINC000389865370 357056585 /nfs/dbraw/zinc/05/65/85/357056585.db2.gz GLOGICUFNHNLNX-SNVBAGLBSA-N 0 0 213.271 3.548 20 0 BHADRN CC(C)([NH2+]C1CCCCCCC1)C(F)F ZINC000389867589 711094325 /nfs/dbraw/zinc/09/43/25/711094325.db2.gz HPLYHEVSNUZQIE-UHFFFAOYSA-N 0 0 219.319 3.733 20 0 BHADRN COc1cc(Cl)ccc1N[C@@H]1CC[C@H]1C ZINC000389871075 711093421 /nfs/dbraw/zinc/09/34/21/711093421.db2.gz JNOUZLAYAYWBKO-PSASIEDQSA-N 0 0 225.719 3.559 20 0 BHADRN COc1cc(Cl)ccc1N[C@H]1CC[C@H]1C ZINC000389871077 711093459 /nfs/dbraw/zinc/09/34/59/711093459.db2.gz JNOUZLAYAYWBKO-SCZZXKLOSA-N 0 0 225.719 3.559 20 0 BHADRN COc1cc(Cl)ccc1N[C@@H]1CC[C@@H]1C ZINC000389871079 711094232 /nfs/dbraw/zinc/09/42/32/711094232.db2.gz JNOUZLAYAYWBKO-WCBMZHEXSA-N 0 0 225.719 3.559 20 0 BHADRN COc1cc(Cl)ccc1N[C@H]1CC[C@@H]1C ZINC000389871081 711094284 /nfs/dbraw/zinc/09/42/84/711094284.db2.gz JNOUZLAYAYWBKO-WPRPVWTQSA-N 0 0 225.719 3.559 20 0 BHADRN c1cc(C2CC2)ccc1NCC1CCC1 ZINC000389872040 539017995 /nfs/dbraw/zinc/01/79/95/539017995.db2.gz JWFYGDAZNAIVCP-UHFFFAOYSA-N 0 0 201.313 3.776 20 0 BHADRN c1cc2cccc(N[C@H]3CCSC3)c2s1 ZINC000389873782 357058238 /nfs/dbraw/zinc/05/82/38/357058238.db2.gz KMTYBJOODPBSTC-JTQLQIEISA-N 0 0 235.377 3.819 20 0 BHADRN c1cc2cccc(N[C@@H]3CCSC3)c2s1 ZINC000389873783 357058305 /nfs/dbraw/zinc/05/83/05/357058305.db2.gz KMTYBJOODPBSTC-SNVBAGLBSA-N 0 0 235.377 3.819 20 0 BHADRN CC(C)[C@H]1CC[C@H]1Nc1ccc(F)cc1 ZINC000389875416 539017843 /nfs/dbraw/zinc/01/78/43/539017843.db2.gz LJNHRNVBWXKXQP-CHWSQXEVSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@H]1CC[C@@H]1Nc1ccc(F)cc1 ZINC000389875417 539018093 /nfs/dbraw/zinc/01/80/93/539018093.db2.gz LJNHRNVBWXKXQP-OLZOCXBDSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@@H]1CC[C@H]1Nc1ccc(F)cc1 ZINC000389875418 539018044 /nfs/dbraw/zinc/01/80/44/539018044.db2.gz LJNHRNVBWXKXQP-QWHCGFSZSA-N 0 0 207.292 3.672 20 0 BHADRN CC(C)[C@@H]1CC[C@@H]1Nc1ccc(F)cc1 ZINC000389875420 539018090 /nfs/dbraw/zinc/01/80/90/539018090.db2.gz LJNHRNVBWXKXQP-STQMWFEESA-N 0 0 207.292 3.672 20 0 BHADRN CSc1c(F)cc(NC/C=C\Cl)cc1F ZINC000389877864 711094694 /nfs/dbraw/zinc/09/46/94/711094694.db2.gz MOKLRPVXRDBGMM-IHWYPQMZSA-N 0 0 249.713 3.851 20 0 BHADRN CSc1c(F)cc(NC/C=C/Cl)cc1F ZINC000389877865 711095050 /nfs/dbraw/zinc/09/50/50/711095050.db2.gz MOKLRPVXRDBGMM-NSCUHMNNSA-N 0 0 249.713 3.851 20 0 BHADRN Cc1cc(C)[nH+]c(NCCC(C)(C)C)c1 ZINC000389878133 357058250 /nfs/dbraw/zinc/05/82/50/357058250.db2.gz MSIDDGHOJCQZSA-UHFFFAOYSA-N 0 0 206.333 3.547 20 0 BHADRN CC(C)Sc1ccccc1NC1CSC1 ZINC000389878742 539018112 /nfs/dbraw/zinc/01/81/12/539018112.db2.gz NAWYQLVCKOMDCU-UHFFFAOYSA-N 0 0 239.409 3.714 20 0 BHADRN CCCCCC[C@@H](C)N[C@H](C)C(F)(F)F ZINC000389879204 711095380 /nfs/dbraw/zinc/09/53/80/711095380.db2.gz NHSVLQQVWCMNTL-NXEZZACHSA-N 0 0 225.298 3.886 20 0 BHADRN CCCCCC[C@H](C)N[C@@H](C)C(F)(F)F ZINC000389879206 711095235 /nfs/dbraw/zinc/09/52/35/711095235.db2.gz NHSVLQQVWCMNTL-UWVGGRQHSA-N 0 0 225.298 3.886 20 0 BHADRN CCCCCC[C@H](C)N[C@H](C)C(F)(F)F ZINC000389879207 711094937 /nfs/dbraw/zinc/09/49/37/711094937.db2.gz NHSVLQQVWCMNTL-VHSXEESVSA-N 0 0 225.298 3.886 20 0 BHADRN CCCCCC[C@@H](C)N[C@@H](C)C(F)(F)F ZINC000389879208 711094658 /nfs/dbraw/zinc/09/46/58/711094658.db2.gz NHSVLQQVWCMNTL-ZJUUUORDSA-N 0 0 225.298 3.886 20 0 BHADRN Fc1cncc(NCc2cscc2Cl)c1 ZINC000389879585 539017989 /nfs/dbraw/zinc/01/79/89/539017989.db2.gz NLIURWUEISHCLG-UHFFFAOYSA-N 0 0 242.706 3.548 20 0 BHADRN c1ccc(N[C@H]2CC[C@H]2C2CCC2)cc1 ZINC000389885653 357059370 /nfs/dbraw/zinc/05/93/70/357059370.db2.gz REURWDVMKKSEQN-KBPBESRZSA-N 0 0 201.313 3.677 20 0 BHADRN c1ccc(N[C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000389885654 357059741 /nfs/dbraw/zinc/05/97/41/357059741.db2.gz REURWDVMKKSEQN-KGLIPLIRSA-N 0 0 201.313 3.677 20 0 BHADRN c1ccc(N[C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000389885655 357059319 /nfs/dbraw/zinc/05/93/19/357059319.db2.gz REURWDVMKKSEQN-UONOGXRCSA-N 0 0 201.313 3.677 20 0 BHADRN c1ccc(N[C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000389885656 357059638 /nfs/dbraw/zinc/05/96/38/357059638.db2.gz REURWDVMKKSEQN-ZIAGYGMSSA-N 0 0 201.313 3.677 20 0 BHADRN Cc1cccnc1NCc1cscc1Cl ZINC000389886256 539018499 /nfs/dbraw/zinc/01/84/99/539018499.db2.gz RQUNWHAKDXWHDX-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN Fc1ccc(C[NH2+]CC2CC2)c(Cl)c1Cl ZINC000389886257 357059577 /nfs/dbraw/zinc/05/95/77/357059577.db2.gz RQWUYLOWZMBUOH-UHFFFAOYSA-N 0 0 248.128 3.632 20 0 BHADRN Cc1ccc(Cl)c(NC2CCCCC2)n1 ZINC000389887083 711094824 /nfs/dbraw/zinc/09/48/24/711094824.db2.gz SFJQDJUOIHJULZ-UHFFFAOYSA-N 0 0 224.735 3.788 20 0 BHADRN CC/C=C\CCNc1cc(F)cc(F)c1 ZINC000389888446 357061234 /nfs/dbraw/zinc/06/12/34/357061234.db2.gz UBPLCQDXAXFLFN-ARJAWSKDSA-N 0 0 211.255 3.733 20 0 BHADRN CC/C=C/CCNc1cc(F)cc(F)c1 ZINC000389888447 357061100 /nfs/dbraw/zinc/06/11/00/357061100.db2.gz UBPLCQDXAXFLFN-ONEGZZNKSA-N 0 0 211.255 3.733 20 0 BHADRN CCCCCN[C@H](C(C)(C)C)C(F)(F)F ZINC000389889273 357062359 /nfs/dbraw/zinc/06/23/59/357062359.db2.gz URJCROAGARSGRU-SECBINFHSA-N 0 0 225.298 3.743 20 0 BHADRN CCCCCN[C@@H](C(C)(C)C)C(F)(F)F ZINC000389889274 357062306 /nfs/dbraw/zinc/06/23/06/357062306.db2.gz URJCROAGARSGRU-VIFPVBQESA-N 0 0 225.298 3.743 20 0 BHADRN CC(C)OC[C@H](C)Nc1cccc(Cl)c1 ZINC000389891983 357060158 /nfs/dbraw/zinc/06/01/58/357060158.db2.gz AHIDZHIVWLKPKY-JTQLQIEISA-N 0 0 227.735 3.565 20 0 BHADRN CC(C)OC[C@@H](C)Nc1cccc(Cl)c1 ZINC000389891985 357060450 /nfs/dbraw/zinc/06/04/50/357060450.db2.gz AHIDZHIVWLKPKY-SNVBAGLBSA-N 0 0 227.735 3.565 20 0 BHADRN C/C=C\c1ccc(NC[C@@H](F)CC)cc1 ZINC000389896297 357063110 /nfs/dbraw/zinc/06/31/10/357063110.db2.gz ZDVMEJLKNCBFNN-FHMRSRPSSA-N 0 0 207.292 3.880 20 0 BHADRN C/C=C\c1ccc(NC[C@H](F)CC)cc1 ZINC000389896298 357062991 /nfs/dbraw/zinc/06/29/91/357062991.db2.gz ZDVMEJLKNCBFNN-KTLBGCOUSA-N 0 0 207.292 3.880 20 0 BHADRN C/C=C/c1ccc(NC[C@H](F)CC)cc1 ZINC000389896299 357062799 /nfs/dbraw/zinc/06/27/99/357062799.db2.gz ZDVMEJLKNCBFNN-OGOUPESXSA-N 0 0 207.292 3.880 20 0 BHADRN C/C=C/c1ccc(NC[C@@H](F)CC)cc1 ZINC000389896300 357063084 /nfs/dbraw/zinc/06/30/84/357063084.db2.gz ZDVMEJLKNCBFNN-PYEVWLCESA-N 0 0 207.292 3.880 20 0 BHADRN CNc1ccc(-c2ccccc2)cc1F ZINC000389898193 539018588 /nfs/dbraw/zinc/01/85/88/539018588.db2.gz BLQXYAWCGAARBU-UHFFFAOYSA-N 0 0 201.244 3.534 20 0 BHADRN CSC(C)(C)CNc1ncc(C(C)C)s1 ZINC000389898507 712690903 /nfs/dbraw/zinc/69/09/03/712690903.db2.gz AGNJTQAXLJWOCZ-UHFFFAOYSA-N 0 0 244.429 3.820 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc2scnc2c1 ZINC000389899381 357063623 /nfs/dbraw/zinc/06/36/23/357063623.db2.gz BXCOHNWGJKHCES-SECBINFHSA-N 0 0 220.341 3.753 20 0 BHADRN CC(C)[C@H](C)Nc1ccc2scnc2c1 ZINC000389899384 357063722 /nfs/dbraw/zinc/06/37/22/357063722.db2.gz BXCOHNWGJKHCES-VIFPVBQESA-N 0 0 220.341 3.753 20 0 BHADRN CC(C)[C@H](C)Nc1cccc2cc[nH]c21 ZINC000389900198 357064542 /nfs/dbraw/zinc/06/45/42/357064542.db2.gz CONLQCAXOCKUAG-JTQLQIEISA-N 0 0 202.301 3.624 20 0 BHADRN CC(C)[C@@H](C)Nc1cccc2cc[nH]c21 ZINC000389900199 357064353 /nfs/dbraw/zinc/06/43/53/357064353.db2.gz CONLQCAXOCKUAG-SNVBAGLBSA-N 0 0 202.301 3.624 20 0 BHADRN Cc1cccc(NCc2cscc2Cl)n1 ZINC000389904098 712691098 /nfs/dbraw/zinc/69/10/98/712691098.db2.gz FXRMEWDENBFNNI-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN C[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)C(F)F ZINC000389905151 398148607 /nfs/dbraw/zinc/14/86/07/398148607.db2.gz GHOTZYOVRKZNPI-BDAKNGLRSA-N 0 0 247.716 3.514 20 0 BHADRN C[C@@H](N[C@@H](C)Cc1ccc(Cl)cc1)C(F)F ZINC000389905152 398183960 /nfs/dbraw/zinc/18/39/60/398183960.db2.gz GHOTZYOVRKZNPI-DTWKUNHWSA-N 0 0 247.716 3.514 20 0 BHADRN C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)C(F)F ZINC000389905153 398148650 /nfs/dbraw/zinc/14/86/50/398148650.db2.gz GHOTZYOVRKZNPI-IUCAKERBSA-N 0 0 247.716 3.514 20 0 BHADRN C[C@H](Cc1ccc(Cl)cc1)N[C@H](C)C(F)F ZINC000389905154 398148621 /nfs/dbraw/zinc/14/86/21/398148621.db2.gz GHOTZYOVRKZNPI-RKDXNWHRSA-N 0 0 247.716 3.514 20 0 BHADRN Cc1ccccc1N[C@@H]1CCC12CCC2 ZINC000389907550 357065709 /nfs/dbraw/zinc/06/57/09/357065709.db2.gz HOQQZAUDBMYEKG-CYBMUJFWSA-N 0 0 201.313 3.740 20 0 BHADRN Cc1ccccc1N[C@H]1CCC12CCC2 ZINC000389907554 357065896 /nfs/dbraw/zinc/06/58/96/357065896.db2.gz HOQQZAUDBMYEKG-ZDUSSCGKSA-N 0 0 201.313 3.740 20 0 BHADRN C[C@@H](CCC1CC1)Nc1ccc(F)cc1 ZINC000389912230 357066627 /nfs/dbraw/zinc/06/66/27/357066627.db2.gz JRNBLKZAICMJHZ-JTQLQIEISA-N 0 0 207.292 3.816 20 0 BHADRN C[C@H](CCC1CC1)Nc1ccc(F)cc1 ZINC000389912231 357066599 /nfs/dbraw/zinc/06/65/99/357066599.db2.gz JRNBLKZAICMJHZ-SNVBAGLBSA-N 0 0 207.292 3.816 20 0 BHADRN CCCCNc1cc(C)c(OC)cc1C ZINC000389917436 711097449 /nfs/dbraw/zinc/09/74/49/711097449.db2.gz NUUSPFRNFMHEPO-UHFFFAOYSA-N 0 0 207.317 3.524 20 0 BHADRN CCc1ccc([C@@H](C)N[C@H](C)C(F)F)s1 ZINC000389920013 398149463 /nfs/dbraw/zinc/14/94/63/398149463.db2.gz PVIROJAZVIBRDU-HTQZYQBOSA-N 0 0 233.327 3.615 20 0 BHADRN CCc1ccc([C@H](C)N[C@H](C)C(F)F)s1 ZINC000389920015 398149220 /nfs/dbraw/zinc/14/92/20/398149220.db2.gz PVIROJAZVIBRDU-JGVFFNPUSA-N 0 0 233.327 3.615 20 0 BHADRN CCc1ccc([C@@H](C)N[C@@H](C)C(F)F)s1 ZINC000389920016 398149504 /nfs/dbraw/zinc/14/95/04/398149504.db2.gz PVIROJAZVIBRDU-SFYZADRCSA-N 0 0 233.327 3.615 20 0 BHADRN CCc1ccc([C@H](C)N[C@@H](C)C(F)F)s1 ZINC000389920017 398149443 /nfs/dbraw/zinc/14/94/43/398149443.db2.gz PVIROJAZVIBRDU-YUMQZZPRSA-N 0 0 233.327 3.615 20 0 BHADRN COc1cc(Cl)ccc1NCCCCF ZINC000389921813 711098868 /nfs/dbraw/zinc/09/88/68/711098868.db2.gz RUPPBWVHGLSUMW-UHFFFAOYSA-N 0 0 231.698 3.510 20 0 BHADRN CC(C)=CC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000389923366 357068602 /nfs/dbraw/zinc/06/86/02/357068602.db2.gz UDBLBLUTGMGOKS-LLVKDONJSA-N 0 0 207.317 3.513 20 0 BHADRN CC(C)=CC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000389923370 357068518 /nfs/dbraw/zinc/06/85/18/357068518.db2.gz UDBLBLUTGMGOKS-NSHDSACASA-N 0 0 207.317 3.513 20 0 BHADRN CSc1cccc(C)c1NCC1CCC1 ZINC000389925612 357068793 /nfs/dbraw/zinc/06/87/93/357068793.db2.gz VYUIEWRDJDXOFA-UHFFFAOYSA-N 0 0 221.369 3.929 20 0 BHADRN CSCc1ccc(NC[C@H]2C[C@@H]2C)cc1 ZINC000389926059 357068685 /nfs/dbraw/zinc/06/86/85/357068685.db2.gz WFZLFFIROIOTRI-CMPLNLGQSA-N 0 0 221.369 3.618 20 0 BHADRN CSCc1ccc(NC[C@@H]2C[C@@H]2C)cc1 ZINC000389926060 357068655 /nfs/dbraw/zinc/06/86/55/357068655.db2.gz WFZLFFIROIOTRI-JQWIXIFHSA-N 0 0 221.369 3.618 20 0 BHADRN CSCc1ccc(NC[C@@H]2C[C@H]2C)cc1 ZINC000389926061 357068560 /nfs/dbraw/zinc/06/85/60/357068560.db2.gz WFZLFFIROIOTRI-PWSUYJOCSA-N 0 0 221.369 3.618 20 0 BHADRN CSCc1ccc(NC[C@H]2C[C@H]2C)cc1 ZINC000389926062 357068424 /nfs/dbraw/zinc/06/84/24/357068424.db2.gz WFZLFFIROIOTRI-ZYHUDNBSSA-N 0 0 221.369 3.618 20 0 BHADRN CC[C@@H](N[C@@H](C)C(F)F)c1cccc(F)c1 ZINC000389927819 398150167 /nfs/dbraw/zinc/15/01/67/398150167.db2.gz FQIDLHZNCOJGPG-GZMMTYOYSA-N 0 0 231.261 3.520 20 0 BHADRN CC[C@H](N[C@H](C)C(F)F)c1cccc(F)c1 ZINC000389927820 398150252 /nfs/dbraw/zinc/15/02/52/398150252.db2.gz FQIDLHZNCOJGPG-KCJUWKMLSA-N 0 0 231.261 3.520 20 0 BHADRN CC[C@H](N[C@@H](C)C(F)F)c1cccc(F)c1 ZINC000389927821 398150115 /nfs/dbraw/zinc/15/01/15/398150115.db2.gz FQIDLHZNCOJGPG-KWQFWETISA-N 0 0 231.261 3.520 20 0 BHADRN CC[C@@H](N[C@H](C)C(F)F)c1cccc(F)c1 ZINC000389927822 398150100 /nfs/dbraw/zinc/15/01/00/398150100.db2.gz FQIDLHZNCOJGPG-LDYMZIIASA-N 0 0 231.261 3.520 20 0 BHADRN CC[C@@H](N[C@@H](C)C(F)F)c1ccccc1F ZINC000389931842 490275212 /nfs/dbraw/zinc/27/52/12/490275212.db2.gz JEZMJNTWYSEKJN-GZMMTYOYSA-N 0 0 231.261 3.520 20 0 BHADRN CC[C@H](N[C@H](C)C(F)F)c1ccccc1F ZINC000389931845 490275261 /nfs/dbraw/zinc/27/52/61/490275261.db2.gz JEZMJNTWYSEKJN-KCJUWKMLSA-N 0 0 231.261 3.520 20 0 BHADRN CC[C@H](N[C@@H](C)C(F)F)c1ccccc1F ZINC000389931847 490275280 /nfs/dbraw/zinc/27/52/80/490275280.db2.gz JEZMJNTWYSEKJN-KWQFWETISA-N 0 0 231.261 3.520 20 0 BHADRN CC[C@@H](N[C@H](C)C(F)F)c1ccccc1F ZINC000389931850 490275220 /nfs/dbraw/zinc/27/52/20/490275220.db2.gz JEZMJNTWYSEKJN-LDYMZIIASA-N 0 0 231.261 3.520 20 0 BHADRN C[C@@H](N[C@@H](C)c1csc(Cl)c1)C(F)F ZINC000389939836 398153264 /nfs/dbraw/zinc/15/32/64/398153264.db2.gz PSIJWJQTIZFGSA-NTSWFWBYSA-N 0 0 239.718 3.706 20 0 BHADRN C[C@@H](N[C@H](C)C(F)F)c1csc(Cl)c1 ZINC000389939838 398153271 /nfs/dbraw/zinc/15/32/71/398153271.db2.gz PSIJWJQTIZFGSA-PHDIDXHHSA-N 0 0 239.718 3.706 20 0 BHADRN C[C@@H](N[C@@H](C)C(F)F)c1csc(Cl)c1 ZINC000389939840 398153355 /nfs/dbraw/zinc/15/33/55/398153355.db2.gz PSIJWJQTIZFGSA-RITPCOANSA-N 0 0 239.718 3.706 20 0 BHADRN C[C@H](N[C@@H](C)C(F)F)c1csc(Cl)c1 ZINC000389939841 398153199 /nfs/dbraw/zinc/15/31/99/398153199.db2.gz PSIJWJQTIZFGSA-WDSKDSINSA-N 0 0 239.718 3.706 20 0 BHADRN FC1(CNCc2c(Cl)cccc2Cl)CC1 ZINC000389940737 357071688 /nfs/dbraw/zinc/07/16/88/357071688.db2.gz OOFMTMSGFVGYNY-UHFFFAOYSA-N 0 0 248.128 3.585 20 0 BHADRN CSc1ccc(C)c(N[C@@H](C)C2CC2)c1 ZINC000389942947 357070464 /nfs/dbraw/zinc/07/04/64/357070464.db2.gz PFYXIXZJBRBZPP-JTQLQIEISA-N 0 0 221.369 3.927 20 0 BHADRN CSc1ccc(C)c(N[C@H](C)C2CC2)c1 ZINC000389942952 357070530 /nfs/dbraw/zinc/07/05/30/357070530.db2.gz PFYXIXZJBRBZPP-SNVBAGLBSA-N 0 0 221.369 3.927 20 0 BHADRN CC[C@@H](F)CNc1cc(Cl)ccc1OC ZINC000389944973 357072563 /nfs/dbraw/zinc/07/25/63/357072563.db2.gz QGNSHHOTZKEJSA-SECBINFHSA-N 0 0 231.698 3.509 20 0 BHADRN CC[C@H](F)CNc1cc(Cl)ccc1OC ZINC000389944974 357072484 /nfs/dbraw/zinc/07/24/84/357072484.db2.gz QGNSHHOTZKEJSA-VIFPVBQESA-N 0 0 231.698 3.509 20 0 BHADRN CCCC[C@H](C)[C@@H](C)N[C@@H](C)C(F)(F)F ZINC000389945539 357072856 /nfs/dbraw/zinc/07/28/56/357072856.db2.gz QLJUZENNXTYAAU-AEJSXWLSSA-N 0 0 225.298 3.742 20 0 BHADRN CCCC[C@H](C)[C@H](C)N[C@@H](C)C(F)(F)F ZINC000389945540 357073080 /nfs/dbraw/zinc/07/30/80/357073080.db2.gz QLJUZENNXTYAAU-GUBZILKMSA-N 0 0 225.298 3.742 20 0 BHADRN CCCC[C@H](C)[C@@H](C)N[C@H](C)C(F)(F)F ZINC000389945541 357072870 /nfs/dbraw/zinc/07/28/70/357072870.db2.gz QLJUZENNXTYAAU-IVZWLZJFSA-N 0 0 225.298 3.742 20 0 BHADRN CCCC[C@H](C)[C@H](C)N[C@H](C)C(F)(F)F ZINC000389945542 357073233 /nfs/dbraw/zinc/07/32/33/357073233.db2.gz QLJUZENNXTYAAU-LPEHRKFASA-N 0 0 225.298 3.742 20 0 BHADRN CC(C)(C)SCCNc1cccc(Cl)n1 ZINC000389948441 711099450 /nfs/dbraw/zinc/09/94/50/711099450.db2.gz RLRYEJSSAOPJAU-UHFFFAOYSA-N 0 0 244.791 3.679 20 0 BHADRN CCC1CC(Nc2ccc(F)c(F)c2)C1 ZINC000389948887 397999671 /nfs/dbraw/zinc/99/96/71/397999671.db2.gz RPFRQWNCXJBJFJ-UHFFFAOYSA-N 0 0 211.255 3.565 20 0 BHADRN C/C=C/c1ccc(N[C@H]2CCSC2)cc1 ZINC000389950867 357072586 /nfs/dbraw/zinc/07/25/86/357072586.db2.gz SEJXDMDZZFMRDZ-IBUXWKBASA-N 0 0 219.353 3.637 20 0 BHADRN C/C=C\c1ccc(N[C@@H]2CCSC2)cc1 ZINC000389950870 357072381 /nfs/dbraw/zinc/07/23/81/357072381.db2.gz SEJXDMDZZFMRDZ-XQJDBVBESA-N 0 0 219.353 3.637 20 0 BHADRN C/C=C/c1ccc(N[C@@H]2CCSC2)cc1 ZINC000389950873 357072482 /nfs/dbraw/zinc/07/24/82/357072482.db2.gz SEJXDMDZZFMRDZ-YWVDXFKGSA-N 0 0 219.353 3.637 20 0 BHADRN C/C=C\c1ccc(N[C@H]2CCSC2)cc1 ZINC000389950876 357072590 /nfs/dbraw/zinc/07/25/90/357072590.db2.gz SEJXDMDZZFMRDZ-ZRMMWKCHSA-N 0 0 219.353 3.637 20 0 BHADRN CSc1ccc(C)c(NCC2(C)CC2)c1 ZINC000389954568 357072848 /nfs/dbraw/zinc/07/28/48/357072848.db2.gz TXAWVEYKLMPYQF-UHFFFAOYSA-N 0 0 221.369 3.929 20 0 BHADRN C/C=C/c1ccc(NCC2CCC2)cc1 ZINC000389956396 357073716 /nfs/dbraw/zinc/07/37/16/357073716.db2.gz UNLPDAJZDDRTIK-DUXPYHPUSA-N 0 0 201.313 3.932 20 0 BHADRN C/C=C\c1ccc(NCC2CCC2)cc1 ZINC000389956398 357073630 /nfs/dbraw/zinc/07/36/30/357073630.db2.gz UNLPDAJZDDRTIK-RQOWECAXSA-N 0 0 201.313 3.932 20 0 BHADRN Clc1ccccc1N[C@@H]1CC[C@H]1C1CC1 ZINC000389968312 539019192 /nfs/dbraw/zinc/01/91/92/539019192.db2.gz YLOGVTARORTIKW-CMPLNLGQSA-N 0 0 221.731 3.941 20 0 BHADRN Clc1ccccc1N[C@H]1CC[C@H]1C1CC1 ZINC000389968313 539019399 /nfs/dbraw/zinc/01/93/99/539019399.db2.gz YLOGVTARORTIKW-JQWIXIFHSA-N 0 0 221.731 3.941 20 0 BHADRN Clc1ccccc1N[C@H]1CC[C@@H]1C1CC1 ZINC000389968314 539019567 /nfs/dbraw/zinc/01/95/67/539019567.db2.gz YLOGVTARORTIKW-PWSUYJOCSA-N 0 0 221.731 3.941 20 0 BHADRN Clc1ccccc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000389968315 539019578 /nfs/dbraw/zinc/01/95/78/539019578.db2.gz YLOGVTARORTIKW-ZYHUDNBSSA-N 0 0 221.731 3.941 20 0 BHADRN CC[C@@H](F)CNc1ccccc1C(C)C ZINC000389970813 357075365 /nfs/dbraw/zinc/07/53/65/357075365.db2.gz ZWZICOTYIASNCL-LLVKDONJSA-N 0 0 209.308 3.970 20 0 BHADRN CC[C@H](F)CNc1ccccc1C(C)C ZINC000389970910 357075861 /nfs/dbraw/zinc/07/58/61/357075861.db2.gz ZWZICOTYIASNCL-NSHDSACASA-N 0 0 209.308 3.970 20 0 BHADRN Cc1ccc(Cl)c(NCc2cccs2)n1 ZINC000389971034 711101352 /nfs/dbraw/zinc/10/13/52/711101352.db2.gz ZYYRQFYQPNIBQK-UHFFFAOYSA-N 0 0 238.743 3.717 20 0 BHADRN CCC(CC)CNc1ccc([N+](=O)[O-])s1 ZINC000389978008 351542726 /nfs/dbraw/zinc/54/27/26/351542726.db2.gz GSHUOYMTLWPRRK-UHFFFAOYSA-N 0 0 228.317 3.504 20 0 BHADRN CCCC[C@H](C)N[C@@H](C(C)C)C(F)(F)F ZINC000389979711 357077537 /nfs/dbraw/zinc/07/75/37/357077537.db2.gz HTTDGDZKVSICKT-UWVGGRQHSA-N 0 0 225.298 3.742 20 0 BHADRN CCCC[C@@H](C)N[C@@H](C(C)C)C(F)(F)F ZINC000389979712 357077487 /nfs/dbraw/zinc/07/74/87/357077487.db2.gz HTTDGDZKVSICKT-ZJUUUORDSA-N 0 0 225.298 3.742 20 0 BHADRN CC(C)CCC[C@@H](C)N[C@H](C)C(F)(F)F ZINC000389981397 357077075 /nfs/dbraw/zinc/07/70/75/357077075.db2.gz JAQDDGVPQUTLTD-NXEZZACHSA-N 0 0 225.298 3.742 20 0 BHADRN CC(C)CCC[C@H](C)N[C@@H](C)C(F)(F)F ZINC000389981400 357076638 /nfs/dbraw/zinc/07/66/38/357076638.db2.gz JAQDDGVPQUTLTD-UWVGGRQHSA-N 0 0 225.298 3.742 20 0 BHADRN CC(C)CCC[C@H](C)N[C@H](C)C(F)(F)F ZINC000389981401 357076679 /nfs/dbraw/zinc/07/66/79/357076679.db2.gz JAQDDGVPQUTLTD-VHSXEESVSA-N 0 0 225.298 3.742 20 0 BHADRN CC(C)CCC[C@@H](C)N[C@@H](C)C(F)(F)F ZINC000389981403 357076952 /nfs/dbraw/zinc/07/69/52/357076952.db2.gz JAQDDGVPQUTLTD-ZJUUUORDSA-N 0 0 225.298 3.742 20 0 BHADRN CC(C)(C)CNc1ccc2scnc2c1 ZINC000389982054 357076709 /nfs/dbraw/zinc/07/67/09/357076709.db2.gz JQWJBIHCAPCPKG-UHFFFAOYSA-N 0 0 220.341 3.754 20 0 BHADRN Cc1ccc(Cl)c(NCCC2(C)CC2)n1 ZINC000389984662 711101914 /nfs/dbraw/zinc/10/19/14/711101914.db2.gz LIIWRMYZBRPQDY-UHFFFAOYSA-N 0 0 224.735 3.646 20 0 BHADRN CSc1ccc(C)c(NCCC2CC2)c1 ZINC000389991465 539019325 /nfs/dbraw/zinc/01/93/25/539019325.db2.gz ONALUUTXHVDCLU-UHFFFAOYSA-N 0 0 221.369 3.929 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccc(Cl)nc1C ZINC000389995082 711103255 /nfs/dbraw/zinc/10/32/55/711103255.db2.gz QCUJXCHKLKTNPF-GXSJLCMTSA-N 0 0 224.735 3.644 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc(Cl)nc1C ZINC000389995084 711102740 /nfs/dbraw/zinc/10/27/40/711102740.db2.gz QCUJXCHKLKTNPF-KOLCDFICSA-N 0 0 224.735 3.644 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc(Cl)nc1C ZINC000389995085 711103247 /nfs/dbraw/zinc/10/32/47/711103247.db2.gz QCUJXCHKLKTNPF-MWLCHTKSSA-N 0 0 224.735 3.644 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccc(Cl)nc1C ZINC000389995088 711103329 /nfs/dbraw/zinc/10/33/29/711103329.db2.gz QCUJXCHKLKTNPF-ONGXEEELSA-N 0 0 224.735 3.644 20 0 BHADRN CCCc1ccc(NCC2(F)CC2)cc1 ZINC000389995991 711103015 /nfs/dbraw/zinc/10/30/15/711103015.db2.gz QMQPOKZGTCAIBR-UHFFFAOYSA-N 0 0 207.292 3.553 20 0 BHADRN N#Cc1cccc(NC2CCC(F)(F)CC2)c1 ZINC000389996825 371185200 /nfs/dbraw/zinc/18/52/00/371185200.db2.gz GYSVKWVSYQOLKT-UHFFFAOYSA-N 0 0 236.265 3.548 20 0 BHADRN CSc1cccc(N[C@@H]2CC[C@@H]2C)c1C ZINC000389997478 711103392 /nfs/dbraw/zinc/10/33/92/711103392.db2.gz QZZBWVWHECTKKM-GXSJLCMTSA-N 0 0 221.369 3.927 20 0 BHADRN CSc1cccc(N[C@H]2CC[C@H]2C)c1C ZINC000389997480 711103554 /nfs/dbraw/zinc/10/35/54/711103554.db2.gz QZZBWVWHECTKKM-KOLCDFICSA-N 0 0 221.369 3.927 20 0 BHADRN CSc1cccc(N[C@@H]2CC[C@H]2C)c1C ZINC000389997481 711103738 /nfs/dbraw/zinc/10/37/38/711103738.db2.gz QZZBWVWHECTKKM-MWLCHTKSSA-N 0 0 221.369 3.927 20 0 BHADRN CSc1cccc(N[C@H]2CC[C@@H]2C)c1C ZINC000389997482 711103320 /nfs/dbraw/zinc/10/33/20/711103320.db2.gz QZZBWVWHECTKKM-ONGXEEELSA-N 0 0 221.369 3.927 20 0 BHADRN CC(C)(C)CCCCNc1ccccn1 ZINC000390000851 323082882 /nfs/dbraw/zinc/08/28/82/323082882.db2.gz STXBZGDSDJVONA-UHFFFAOYSA-N 0 0 206.333 3.710 20 0 BHADRN CC(=O)c1ccc(NCCCC(C)(F)F)cc1 ZINC000390008052 711103208 /nfs/dbraw/zinc/10/32/08/711103208.db2.gz DKXLSOCXYOJEAJ-UHFFFAOYSA-N 0 0 241.281 3.737 20 0 BHADRN CNc1cc(Cl)ccc1OCC1CCC1 ZINC000390011097 384807530 /nfs/dbraw/zinc/80/75/30/384807530.db2.gz ZGGMXPDDOMMOPX-UHFFFAOYSA-N 0 0 225.719 3.561 20 0 BHADRN CCOc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000390124974 711106647 /nfs/dbraw/zinc/10/66/47/711106647.db2.gz HKUJCOSMNMEXFH-COPLHBTASA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000390124975 711106637 /nfs/dbraw/zinc/10/66/37/711106637.db2.gz HKUJCOSMNMEXFH-JTNHKYCSSA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000390124977 711105833 /nfs/dbraw/zinc/10/58/33/711105833.db2.gz HKUJCOSMNMEXFH-MISXGVKJSA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000390124983 711106260 /nfs/dbraw/zinc/10/62/60/711106260.db2.gz HKUJCOSMNMEXFH-UHIISALHSA-N 0 0 219.328 3.542 20 0 BHADRN CC(C)(C)c1ccc(NCC2(F)CC2)cc1 ZINC000390130312 357083077 /nfs/dbraw/zinc/08/30/77/357083077.db2.gz JMXPGOOPQJCDGK-UHFFFAOYSA-N 0 0 221.319 3.898 20 0 BHADRN CC(C)(C)OCCCNc1ccccc1Cl ZINC000390136740 539019729 /nfs/dbraw/zinc/01/97/29/539019729.db2.gz MIVSLHCOJBMQGY-UHFFFAOYSA-N 0 0 241.762 3.957 20 0 BHADRN Cc1ccccc1N[C@@H]1CS[C@@H](C(C)C)C1 ZINC000390141498 259381053 /nfs/dbraw/zinc/38/10/53/259381053.db2.gz OYQAAZIXUICJSQ-GXTWGEPZSA-N 0 0 235.396 3.937 20 0 BHADRN Cc1ccccc1N[C@@H]1CS[C@H](C(C)C)C1 ZINC000390141499 259381199 /nfs/dbraw/zinc/38/11/99/259381199.db2.gz OYQAAZIXUICJSQ-JSGCOSHPSA-N 0 0 235.396 3.937 20 0 BHADRN Cc1ccccc1N[C@H]1CS[C@H](C(C)C)C1 ZINC000390141500 259381171 /nfs/dbraw/zinc/38/11/71/259381171.db2.gz OYQAAZIXUICJSQ-OCCSQVGLSA-N 0 0 235.396 3.937 20 0 BHADRN Cc1ccccc1N[C@H]1CS[C@@H](C(C)C)C1 ZINC000390141501 259381201 /nfs/dbraw/zinc/38/12/01/259381201.db2.gz OYQAAZIXUICJSQ-TZMCWYRMSA-N 0 0 235.396 3.937 20 0 BHADRN CC(C)Nc1ccc2c3c(cccc31)CC2 ZINC000390145706 259381013 /nfs/dbraw/zinc/38/10/13/259381013.db2.gz QVVRVAUPECKQTB-UHFFFAOYSA-N 0 0 211.308 3.759 20 0 BHADRN CC(C)[C@H](NC[C@H](C)C(C)(C)C)C(F)(F)F ZINC000390152874 488138556 /nfs/dbraw/zinc/13/85/56/488138556.db2.gz VCDHTEKYWSTDBB-UWVGGRQHSA-N 0 0 239.325 3.845 20 0 BHADRN CC(C)[C@H](NC[C@@H](C)C(C)(C)C)C(F)(F)F ZINC000390152878 488138489 /nfs/dbraw/zinc/13/84/89/488138489.db2.gz VCDHTEKYWSTDBB-ZJUUUORDSA-N 0 0 239.325 3.845 20 0 BHADRN CC(C)=CCNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000390170012 712382150 /nfs/dbraw/zinc/38/21/50/712382150.db2.gz GPBZKAZTMFXHQA-UHFFFAOYSA-N 0 0 240.690 3.626 20 0 BHADRN CC(C)=CCNc1ccc(C(C)=O)c(Cl)c1 ZINC000390186214 259382241 /nfs/dbraw/zinc/38/22/41/259382241.db2.gz LTXXYBURZQQFDK-UHFFFAOYSA-N 0 0 237.730 3.921 20 0 BHADRN CC(C)(C)CCN[C@H](C(C)(C)C)C(F)(F)F ZINC000390189758 344970056 /nfs/dbraw/zinc/97/00/56/344970056.db2.gz MUKVZRXUZRFVDC-SECBINFHSA-N 0 0 239.325 3.989 20 0 BHADRN CC(C)(C)CCN[C@@H](C(C)(C)C)C(F)(F)F ZINC000390189759 357086039 /nfs/dbraw/zinc/08/60/39/357086039.db2.gz MUKVZRXUZRFVDC-VIFPVBQESA-N 0 0 239.325 3.989 20 0 BHADRN CC(C)c1cnc(C[NH2+]C(C)(C)C2CC2)s1 ZINC000390195419 357084594 /nfs/dbraw/zinc/08/45/94/357084594.db2.gz PAJFQVDXFFMVSG-UHFFFAOYSA-N 0 0 238.400 3.545 20 0 BHADRN Cc1ccc(N[C@H](C)COC(C)C)c(C)c1 ZINC000390199510 259352985 /nfs/dbraw/zinc/35/29/85/259352985.db2.gz QDLUCNIPOIXLFF-CYBMUJFWSA-N 0 0 221.344 3.529 20 0 BHADRN Cc1ccc(N[C@@H](C)COC(C)C)c(C)c1 ZINC000390199518 259352836 /nfs/dbraw/zinc/35/28/36/259352836.db2.gz QDLUCNIPOIXLFF-ZDUSSCGKSA-N 0 0 221.344 3.529 20 0 BHADRN COc1cc(N[C@@H]2C[C@H](C)[C@@H]2C)ccc1Cl ZINC000390241120 259383523 /nfs/dbraw/zinc/38/35/23/259383523.db2.gz HSFUKBRTMAIDRU-HOTUBEGUSA-N 0 0 239.746 3.805 20 0 BHADRN COc1cc(N[C@@H]2C[C@@H](C)[C@H]2C)ccc1Cl ZINC000390241122 259383590 /nfs/dbraw/zinc/38/35/90/259383590.db2.gz HSFUKBRTMAIDRU-KBVBSXBZSA-N 0 0 239.746 3.805 20 0 BHADRN COc1cc(N[C@@H]2C[C@@H](C)[C@@H]2C)ccc1Cl ZINC000390241124 259383797 /nfs/dbraw/zinc/38/37/97/259383797.db2.gz HSFUKBRTMAIDRU-VDDIYKPWSA-N 0 0 239.746 3.805 20 0 BHADRN COc1cc(N[C@@H]2C[C@H](C)[C@H]2C)ccc1Cl ZINC000390241127 259383502 /nfs/dbraw/zinc/38/35/02/259383502.db2.gz HSFUKBRTMAIDRU-YGOYTEALSA-N 0 0 239.746 3.805 20 0 BHADRN CC(C)=CCNc1ccc2ccn(C)c2c1 ZINC000390255510 711110349 /nfs/dbraw/zinc/11/03/49/711110349.db2.gz LXQHSFVEYLVFFZ-UHFFFAOYSA-N 0 0 214.312 3.556 20 0 BHADRN c1csc(-c2cccc(NC3CSC3)c2)c1 ZINC000390272972 539021068 /nfs/dbraw/zinc/02/10/68/539021068.db2.gz SDKBJSJJISAEFK-UHFFFAOYSA-N 0 0 247.388 3.942 20 0 BHADRN CC(C)C[C@@H](C)CN[C@@H](C(C)C)C(F)(F)F ZINC000390291342 259385096 /nfs/dbraw/zinc/38/50/96/259385096.db2.gz YYEZXHUNOXTOFO-MNOVXSKESA-N 0 0 239.325 3.845 20 0 BHADRN CC(C)C[C@H](C)CN[C@@H](C(C)C)C(F)(F)F ZINC000390291344 259385155 /nfs/dbraw/zinc/38/51/55/259385155.db2.gz YYEZXHUNOXTOFO-QWRGUYRKSA-N 0 0 239.325 3.845 20 0 BHADRN CC(C)Nc1ccc(COC(C)(C)C)cc1 ZINC000390294493 539021206 /nfs/dbraw/zinc/02/12/06/539021206.db2.gz AENDVEQPSURDGT-UHFFFAOYSA-N 0 0 221.344 3.822 20 0 BHADRN c1cc(C2CC2)ccc1N[C@H]1CCCSC1 ZINC000390299131 539021009 /nfs/dbraw/zinc/02/10/09/539021009.db2.gz BWHOSSMGNGWACI-AWEZNQCLSA-N 0 0 233.380 3.872 20 0 BHADRN c1cc(C2CC2)ccc1N[C@@H]1CCCSC1 ZINC000390299132 539020966 /nfs/dbraw/zinc/02/09/66/539020966.db2.gz BWHOSSMGNGWACI-CQSZACIVSA-N 0 0 233.380 3.872 20 0 BHADRN Cc1ccc(Cl)c(NCCOC(C)C)c1C ZINC000390303734 385698470 /nfs/dbraw/zinc/69/84/70/385698470.db2.gz DCEBDZMXDCULEJ-UHFFFAOYSA-N 0 0 241.762 3.794 20 0 BHADRN CC(C)[C@H](N[C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000390303822 259385303 /nfs/dbraw/zinc/38/53/03/259385303.db2.gz DDSGEKJSWQQRAK-AXFHLTTASA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)[C@H](N[C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000390303823 259385293 /nfs/dbraw/zinc/38/52/93/259385293.db2.gz DDSGEKJSWQQRAK-DCAQKATOSA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)[C@H](N[C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000390303824 259385264 /nfs/dbraw/zinc/38/52/64/259385264.db2.gz DDSGEKJSWQQRAK-MXWKQRLJSA-N 0 0 237.309 3.742 20 0 BHADRN CC(C)[C@H](N[C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000390303825 259385275 /nfs/dbraw/zinc/38/52/75/259385275.db2.gz DDSGEKJSWQQRAK-VWYCJHECSA-N 0 0 237.309 3.742 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)COC(C)C ZINC000390309325 259405218 /nfs/dbraw/zinc/40/52/18/259405218.db2.gz FKVALKMDSGIXMC-LLVKDONJSA-N 0 0 241.762 3.874 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)COC(C)C ZINC000390309327 259385273 /nfs/dbraw/zinc/38/52/73/259385273.db2.gz FKVALKMDSGIXMC-NSHDSACASA-N 0 0 241.762 3.874 20 0 BHADRN Cc1ccc(SC[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000390310378 347315961 /nfs/dbraw/zinc/31/59/61/347315961.db2.gz FTKWYJKAHZSMDZ-CHWSQXEVSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1ccc(SC[C@@H]2CCC[C@H](O)C2)cc1 ZINC000390310381 347316063 /nfs/dbraw/zinc/31/60/63/347316063.db2.gz FTKWYJKAHZSMDZ-OLZOCXBDSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1ccc(SC[C@H]2CCC[C@@H](O)C2)cc1 ZINC000390310383 347315985 /nfs/dbraw/zinc/31/59/85/347315985.db2.gz FTKWYJKAHZSMDZ-QWHCGFSZSA-N 0 0 236.380 3.638 20 0 BHADRN Cc1ccc(SC[C@H]2CCC[C@H](O)C2)cc1 ZINC000390310384 347316056 /nfs/dbraw/zinc/31/60/56/347316056.db2.gz FTKWYJKAHZSMDZ-STQMWFEESA-N 0 0 236.380 3.638 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc3ncsc3c2)[C@@H]1C ZINC000390312294 323084215 /nfs/dbraw/zinc/08/42/15/323084215.db2.gz GFVYKPCWDBMEDB-KBVBSXBZSA-N 0 0 232.352 3.753 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc3ncsc3c2)[C@@H]1C ZINC000390312302 323084256 /nfs/dbraw/zinc/08/42/56/323084256.db2.gz GFVYKPCWDBMEDB-LNLATYFQSA-N 0 0 232.352 3.753 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc3ncsc3c2)[C@H]1C ZINC000390312314 323084261 /nfs/dbraw/zinc/08/42/61/323084261.db2.gz GFVYKPCWDBMEDB-PTRXPTGYSA-N 0 0 232.352 3.753 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc3ncsc3c2)[C@H]1C ZINC000390312319 323084220 /nfs/dbraw/zinc/08/42/20/323084220.db2.gz GFVYKPCWDBMEDB-VDDIYKPWSA-N 0 0 232.352 3.753 20 0 BHADRN CCOc1cccc(N[C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000390313358 347315269 /nfs/dbraw/zinc/31/52/69/347315269.db2.gz GMFCBYFYASBMLF-COPLHBTASA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1cccc(N[C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000390313359 347315103 /nfs/dbraw/zinc/31/51/03/347315103.db2.gz GMFCBYFYASBMLF-JTNHKYCSSA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1cccc(N[C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000390313360 347315024 /nfs/dbraw/zinc/31/50/24/347315024.db2.gz GMFCBYFYASBMLF-MISXGVKJSA-N 0 0 219.328 3.542 20 0 BHADRN CCOc1cccc(N[C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000390313361 347315410 /nfs/dbraw/zinc/31/54/10/347315410.db2.gz GMFCBYFYASBMLF-UHIISALHSA-N 0 0 219.328 3.542 20 0 BHADRN CC(F)(F)CCCNc1cc(F)cc(C#N)c1 ZINC000390346308 711112719 /nfs/dbraw/zinc/11/27/19/711112719.db2.gz XSDDXHZCXJNVJA-UHFFFAOYSA-N 0 0 242.244 3.545 20 0 BHADRN CCCc1nccn1CC1CCC(C)CC1 ZINC000390350864 357090423 /nfs/dbraw/zinc/09/04/23/357090423.db2.gz PHCUSYVAZWGXFW-UHFFFAOYSA-N 0 0 220.360 3.662 20 0 BHADRN Cc1cc(NCCOC(C)C)cc(C)c1Cl ZINC000390367573 259386786 /nfs/dbraw/zinc/38/67/86/259386786.db2.gz URLXWYFEIAGXJY-UHFFFAOYSA-N 0 0 241.762 3.794 20 0 BHADRN CC[C@@](C)(NCCC1CCCC1)C(F)(F)F ZINC000390402296 357096654 /nfs/dbraw/zinc/09/66/54/357096654.db2.gz AHPVHBLXBICWTM-LLVKDONJSA-N 0 0 237.309 3.887 20 0 BHADRN CC[C@](C)(NCCC1CCCC1)C(F)(F)F ZINC000390402298 357096973 /nfs/dbraw/zinc/09/69/73/357096973.db2.gz AHPVHBLXBICWTM-NSHDSACASA-N 0 0 237.309 3.887 20 0 BHADRN COCC(C)(C)CNc1ccc(F)c(Cl)c1 ZINC000390403575 323084402 /nfs/dbraw/zinc/08/44/02/323084402.db2.gz AUIDBUVFRIAZBN-UHFFFAOYSA-N 0 0 245.725 3.564 20 0 BHADRN CCNc1cc(-c2ccc(C)o2)ccc1C ZINC000390406939 259387687 /nfs/dbraw/zinc/38/76/87/259387687.db2.gz BXCMXGNRRQFMON-UHFFFAOYSA-N 0 0 215.296 3.995 20 0 BHADRN C/C=C/c1ccc(N[C@@H](C)COCC)cc1 ZINC000390412750 259387830 /nfs/dbraw/zinc/38/78/30/259387830.db2.gz FTSUQGOEWXAYTD-FUEXJSSKSA-N 0 0 219.328 3.557 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)COCC)cc1 ZINC000390412751 259387656 /nfs/dbraw/zinc/38/76/56/259387656.db2.gz FTSUQGOEWXAYTD-FVOPLDGLSA-N 0 0 219.328 3.557 20 0 BHADRN C/C=C\c1ccc(N[C@@H](C)COCC)cc1 ZINC000390412752 259387719 /nfs/dbraw/zinc/38/77/19/259387719.db2.gz FTSUQGOEWXAYTD-RNZFLTOJSA-N 0 0 219.328 3.557 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)COCC)cc1 ZINC000390412753 259387779 /nfs/dbraw/zinc/38/77/79/259387779.db2.gz FTSUQGOEWXAYTD-TXNVCOODSA-N 0 0 219.328 3.557 20 0 BHADRN CCCCCC[C@@H](C)Nc1cncc(C)n1 ZINC000390414291 711707105 /nfs/dbraw/zinc/70/71/05/711707105.db2.gz GLNHVDJNPOUSOH-LLVKDONJSA-N 0 0 221.348 3.556 20 0 BHADRN CCCCCC[C@H](C)Nc1cncc(C)n1 ZINC000390414292 711115344 /nfs/dbraw/zinc/11/53/44/711115344.db2.gz GLNHVDJNPOUSOH-NSHDSACASA-N 0 0 221.348 3.556 20 0 BHADRN CCc1ccc(NCCC(F)(F)F)cc1F ZINC000390414762 259387820 /nfs/dbraw/zinc/38/78/20/259387820.db2.gz GRQYISPEKAPZKX-UHFFFAOYSA-N 0 0 235.224 3.752 20 0 BHADRN Cc1ccc(C)c(NC2CC(C(F)F)C2)c1 ZINC000390417429 711114708 /nfs/dbraw/zinc/11/47/08/711114708.db2.gz HZZSODONIZNNAZ-UHFFFAOYSA-N 0 0 225.282 3.759 20 0 BHADRN CCc1ccc(NCC2(SC)CC2)cc1F ZINC000390418296 259387680 /nfs/dbraw/zinc/38/76/80/259387680.db2.gz IKHJOYPOGANBKE-UHFFFAOYSA-N 0 0 239.359 3.696 20 0 BHADRN CCC[C@@H](CC)Nc1cccc2c1CCO2 ZINC000390424074 259388188 /nfs/dbraw/zinc/38/81/88/259388188.db2.gz LLURGGJTRHRYEX-LLVKDONJSA-N 0 0 219.328 3.612 20 0 BHADRN CCC[C@H](CC)Nc1cccc2c1CCO2 ZINC000390424075 259388005 /nfs/dbraw/zinc/38/80/05/259388005.db2.gz LLURGGJTRHRYEX-NSHDSACASA-N 0 0 219.328 3.612 20 0 BHADRN COCC(C)(C)CNc1ccc(C)c(Cl)c1 ZINC000390426111 259388378 /nfs/dbraw/zinc/38/83/78/259388378.db2.gz MKDUFADOHORNAS-UHFFFAOYSA-N 0 0 241.762 3.733 20 0 BHADRN CSc1ccncc1NC[C@@H]1CC=CCC1 ZINC000390427539 539021705 /nfs/dbraw/zinc/02/17/05/539021705.db2.gz NFPLDUBVJLBQSE-LLVKDONJSA-N 0 0 234.368 3.572 20 0 BHADRN CSc1ccncc1NC[C@H]1CC=CCC1 ZINC000390427540 539021409 /nfs/dbraw/zinc/02/14/09/539021409.db2.gz NFPLDUBVJLBQSE-NSHDSACASA-N 0 0 234.368 3.572 20 0 BHADRN COC(C)(C)CCNc1cccc(F)c1Cl ZINC000390431975 259388103 /nfs/dbraw/zinc/38/81/03/259388103.db2.gz PXQGMCHWBUAHJP-UHFFFAOYSA-N 0 0 245.725 3.706 20 0 BHADRN CC[C@@H](F)CNc1ccccc1OC(C)C ZINC000390434907 259388931 /nfs/dbraw/zinc/38/89/31/259388931.db2.gz RNOKLIYQQHWGHW-LLVKDONJSA-N 0 0 225.307 3.634 20 0 BHADRN CC[C@H](F)CNc1ccccc1OC(C)C ZINC000390434908 259388933 /nfs/dbraw/zinc/38/89/33/259388933.db2.gz RNOKLIYQQHWGHW-NSHDSACASA-N 0 0 225.307 3.634 20 0 BHADRN CC(F)(F)c1cccc(NCC2(F)CC2)c1 ZINC000390437167 347353076 /nfs/dbraw/zinc/35/30/76/347353076.db2.gz STVJLNRCUDPMJZ-UHFFFAOYSA-N 0 0 229.245 3.712 20 0 BHADRN CC[C@H](N[C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000390440881 259388547 /nfs/dbraw/zinc/38/85/47/259388547.db2.gz VGJKLISUPJJYJT-UWVGGRQHSA-N 0 0 237.309 3.886 20 0 BHADRN CC[C@H](N[C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000390440882 259388622 /nfs/dbraw/zinc/38/86/22/259388622.db2.gz VGJKLISUPJJYJT-ZJUUUORDSA-N 0 0 237.309 3.886 20 0 BHADRN COc1cc(C)cc(NC2CC(C)C2)c1C ZINC000390444450 259388955 /nfs/dbraw/zinc/38/89/55/259388955.db2.gz WYIFCCGZSIDHBU-UHFFFAOYSA-N 0 0 219.328 3.522 20 0 BHADRN O=Cc1cc(Cl)ccc1OCCCCCF ZINC000390444590 711117642 /nfs/dbraw/zinc/11/76/42/711117642.db2.gz QSTRYAPUFFYXAH-UHFFFAOYSA-N 0 0 244.693 3.671 20 0 BHADRN CCc1ccc(NC[C@H](C)COC)cc1Cl ZINC000390445051 357093244 /nfs/dbraw/zinc/09/32/44/357093244.db2.gz XGDFPBOOKXJHCU-JTQLQIEISA-N 0 0 241.762 3.597 20 0 BHADRN CCc1ccc(NC[C@@H](C)COC)cc1Cl ZINC000390445052 357093820 /nfs/dbraw/zinc/09/38/20/357093820.db2.gz XGDFPBOOKXJHCU-SNVBAGLBSA-N 0 0 241.762 3.597 20 0 BHADRN Cc1ccc(F)c(N[C@@H]2CCC23CCC3)c1 ZINC000390447624 259389169 /nfs/dbraw/zinc/38/91/69/259389169.db2.gz YDXBKXYUCKTXDE-CYBMUJFWSA-N 0 0 219.303 3.879 20 0 BHADRN Cc1ccc(F)c(N[C@H]2CCC23CCC3)c1 ZINC000390447626 259389130 /nfs/dbraw/zinc/38/91/30/259389130.db2.gz YDXBKXYUCKTXDE-ZDUSSCGKSA-N 0 0 219.303 3.879 20 0 BHADRN Cc1cc(N[C@@H]2CCC23CCC3)ccc1F ZINC000390448666 259389209 /nfs/dbraw/zinc/38/92/09/259389209.db2.gz YRMOCLJNRVJJFV-CYBMUJFWSA-N 0 0 219.303 3.879 20 0 BHADRN Cc1cc(N[C@H]2CCC23CCC3)ccc1F ZINC000390448667 259389110 /nfs/dbraw/zinc/38/91/10/259389110.db2.gz YRMOCLJNRVJJFV-ZDUSSCGKSA-N 0 0 219.303 3.879 20 0 BHADRN CC[C@H](NC[C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000390454686 259389633 /nfs/dbraw/zinc/38/96/33/259389633.db2.gz BUGIFUYJROTMOO-AXFHLTTASA-N 0 0 237.309 3.743 20 0 BHADRN CC[C@H](NC[C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000390454689 259389864 /nfs/dbraw/zinc/38/98/64/259389864.db2.gz BUGIFUYJROTMOO-DCAQKATOSA-N 0 0 237.309 3.743 20 0 BHADRN CC[C@H](NC[C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000390454691 259389874 /nfs/dbraw/zinc/38/98/74/259389874.db2.gz BUGIFUYJROTMOO-MXWKQRLJSA-N 0 0 237.309 3.743 20 0 BHADRN CC[C@H](NC[C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000390454693 259389653 /nfs/dbraw/zinc/38/96/53/259389653.db2.gz BUGIFUYJROTMOO-VWYCJHECSA-N 0 0 237.309 3.743 20 0 BHADRN Cc1cc(NC2CCOCC2)cc(C)c1Cl ZINC000390455665 259389785 /nfs/dbraw/zinc/38/97/85/259389785.db2.gz CQILSKWUOGQJCF-UHFFFAOYSA-N 0 0 239.746 3.548 20 0 BHADRN COC1(CNc2ccccc2Cl)CCCC1 ZINC000390461754 259389817 /nfs/dbraw/zinc/38/98/17/259389817.db2.gz GCESPGRIMWFTLS-UHFFFAOYSA-N 0 0 239.746 3.711 20 0 BHADRN CCC(C)(C)C(=O)CSc1ccc(F)cc1 ZINC000390463801 259389816 /nfs/dbraw/zinc/38/98/16/259389816.db2.gz DSUMDIITEDWOJV-UHFFFAOYSA-N 0 0 240.343 3.923 20 0 BHADRN C[C@H]1CCC[C@H]1Nc1ccc2scnc2c1 ZINC000390468091 259390041 /nfs/dbraw/zinc/39/00/41/259390041.db2.gz IJKTWDNOFNURIJ-GXSJLCMTSA-N 0 0 232.352 3.897 20 0 BHADRN C[C@@H]1CCC[C@@H]1Nc1ccc2scnc2c1 ZINC000390468092 259390161 /nfs/dbraw/zinc/39/01/61/259390161.db2.gz IJKTWDNOFNURIJ-KOLCDFICSA-N 0 0 232.352 3.897 20 0 BHADRN C[C@@H]1CCC[C@H]1Nc1ccc2scnc2c1 ZINC000390468093 259390327 /nfs/dbraw/zinc/39/03/27/259390327.db2.gz IJKTWDNOFNURIJ-MWLCHTKSSA-N 0 0 232.352 3.897 20 0 BHADRN C[C@H]1CCC[C@@H]1Nc1ccc2scnc2c1 ZINC000390468094 259390404 /nfs/dbraw/zinc/39/04/04/259390404.db2.gz IJKTWDNOFNURIJ-ONGXEEELSA-N 0 0 232.352 3.897 20 0 BHADRN CCNc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000390469986 259390214 /nfs/dbraw/zinc/39/02/14/259390214.db2.gz IYBGVUPHGUGDEM-UHFFFAOYSA-N 0 0 231.261 3.958 20 0 BHADRN CC1(C)CC(Nc2cccc3cc[nH]c32)C1 ZINC000390475696 357095457 /nfs/dbraw/zinc/09/54/57/357095457.db2.gz KQLJDYAUWBHJRF-UHFFFAOYSA-N 0 0 214.312 3.768 20 0 BHADRN COC1(C[C@@H](C)Nc2cscc2C)CCC1 ZINC000390477006 259390396 /nfs/dbraw/zinc/39/03/96/259390396.db2.gz LCSRYXBKDYOYDV-LLVKDONJSA-N 0 0 239.384 3.816 20 0 BHADRN COC1(C[C@H](C)Nc2cscc2C)CCC1 ZINC000390477008 259390236 /nfs/dbraw/zinc/39/02/36/259390236.db2.gz LCSRYXBKDYOYDV-NSHDSACASA-N 0 0 239.384 3.816 20 0 BHADRN COc1cc(C)cc(NC2CCCC2)c1C ZINC000390483746 259390482 /nfs/dbraw/zinc/39/04/82/259390482.db2.gz NWUOCCXDHKOQLV-UHFFFAOYSA-N 0 0 219.328 3.667 20 0 BHADRN Cc1ccnc(N[C@@H]2CCC(F)(F)C2)c1Cl ZINC000390485040 539022584 /nfs/dbraw/zinc/02/25/84/539022584.db2.gz OGWFTZUZFZIOAG-MRVPVSSYSA-N 0 0 246.688 3.643 20 0 BHADRN Cc1ccnc(N[C@H]2CCC(F)(F)C2)c1Cl ZINC000390485041 537795333 /nfs/dbraw/zinc/79/53/33/537795333.db2.gz OGWFTZUZFZIOAG-QMMMGPOBSA-N 0 0 246.688 3.643 20 0 BHADRN CCc1ccc(NC2CC(C(F)F)C2)cc1 ZINC000390486577 711120337 /nfs/dbraw/zinc/12/03/37/711120337.db2.gz OURNKAWOLAIBNP-UHFFFAOYSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1ccc(N[C@@H](C)CCOC)cc1Cl ZINC000390487105 385344093 /nfs/dbraw/zinc/34/40/93/385344093.db2.gz PABCEUWGTWJJTG-JTQLQIEISA-N 0 0 241.762 3.739 20 0 BHADRN CCc1ccc(N[C@H](C)CCOC)cc1Cl ZINC000390487109 385344262 /nfs/dbraw/zinc/34/42/62/385344262.db2.gz PABCEUWGTWJJTG-SNVBAGLBSA-N 0 0 241.762 3.739 20 0 BHADRN CCCOc1ccc(NC[C@@H]2C[C@H]2C)cc1 ZINC000390493027 711122201 /nfs/dbraw/zinc/12/22/01/711122201.db2.gz QZUHHSJJHZPZNS-NEPJUHHUSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1ccc(NC[C@H]2C[C@@H]2C)cc1 ZINC000390493030 711121664 /nfs/dbraw/zinc/12/16/64/711121664.db2.gz QZUHHSJJHZPZNS-NWDGAFQWSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1ccc(NC[C@@H]2C[C@@H]2C)cc1 ZINC000390493031 711121305 /nfs/dbraw/zinc/12/13/05/711121305.db2.gz QZUHHSJJHZPZNS-RYUDHWBXSA-N 0 0 219.328 3.543 20 0 BHADRN CCCOc1ccc(NC[C@H]2C[C@H]2C)cc1 ZINC000390493032 711122188 /nfs/dbraw/zinc/12/21/88/711122188.db2.gz QZUHHSJJHZPZNS-VXGBXAGGSA-N 0 0 219.328 3.543 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000390493438 259391075 /nfs/dbraw/zinc/39/10/75/259391075.db2.gz QFTNXEHXRONWDE-GWCFXTLKSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)[C@H]2CCCO2)c1 ZINC000390493439 259391066 /nfs/dbraw/zinc/39/10/66/259391066.db2.gz QFTNXEHXRONWDE-GXFFZTMASA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)[C@@H]2CCCO2)c1 ZINC000390493440 259390910 /nfs/dbraw/zinc/39/09/10/259390910.db2.gz QFTNXEHXRONWDE-MFKMUULPSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)[C@H]2CCCO2)c1 ZINC000390493441 259390880 /nfs/dbraw/zinc/39/08/80/259390880.db2.gz QFTNXEHXRONWDE-ZWNOBZJWSA-N 0 0 239.746 3.628 20 0 BHADRN CC[C@H](COC)Nc1cc(C)c(Cl)c(C)c1 ZINC000390497595 397893056 /nfs/dbraw/zinc/89/30/56/397893056.db2.gz SNIZWKHQKFCGGX-LLVKDONJSA-N 0 0 241.762 3.794 20 0 BHADRN CC[C@@H](COC)Nc1cc(C)c(Cl)c(C)c1 ZINC000390497596 397892894 /nfs/dbraw/zinc/89/28/94/397892894.db2.gz SNIZWKHQKFCGGX-NSHDSACASA-N 0 0 241.762 3.794 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H]2CCCC2(F)F)s1 ZINC000390499939 539022653 /nfs/dbraw/zinc/02/26/53/539022653.db2.gz UFZZITWZCHWOKW-GXSJLCMTSA-N 0 0 245.338 3.895 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H]2CCCC2(F)F)s1 ZINC000390499941 539022542 /nfs/dbraw/zinc/02/25/42/539022542.db2.gz UFZZITWZCHWOKW-KOLCDFICSA-N 0 0 245.338 3.895 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H]2CCCC2(F)F)s1 ZINC000390499943 539022596 /nfs/dbraw/zinc/02/25/96/539022596.db2.gz UFZZITWZCHWOKW-MWLCHTKSSA-N 0 0 245.338 3.895 20 0 BHADRN Cc1ccc([C@H](C)N[C@H]2CCCC2(F)F)s1 ZINC000390499945 539022708 /nfs/dbraw/zinc/02/27/08/539022708.db2.gz UFZZITWZCHWOKW-ONGXEEELSA-N 0 0 245.338 3.895 20 0 BHADRN CCOc1ccc(N[C@H]2CC[C@@H]2C)c(C)c1 ZINC000390501475 711121877 /nfs/dbraw/zinc/12/18/77/711121877.db2.gz UFPHLRUUWXOBKU-GWCFXTLKSA-N 0 0 219.328 3.604 20 0 BHADRN COc1cc(C)c(NCC(C)(C)C)cc1F ZINC000390503930 711121470 /nfs/dbraw/zinc/12/14/70/711121470.db2.gz WBWSCJZSOQCMKW-UHFFFAOYSA-N 0 0 225.307 3.601 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)[C@H](C)OC)cc1 ZINC000390504897 259391483 /nfs/dbraw/zinc/39/14/83/259391483.db2.gz WORUXEMFMORSEI-AIIUZBJTSA-N 0 0 219.328 3.555 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)[C@H](C)OC)cc1 ZINC000390504898 259391364 /nfs/dbraw/zinc/39/13/64/259391364.db2.gz WORUXEMFMORSEI-DUVUQDDDSA-N 0 0 219.328 3.555 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)[C@@H](C)OC)cc1 ZINC000390504899 259391258 /nfs/dbraw/zinc/39/12/58/259391258.db2.gz WORUXEMFMORSEI-GKKDLHFNSA-N 0 0 219.328 3.555 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)[C@@H](C)OC)cc1 ZINC000390504900 259391430 /nfs/dbraw/zinc/39/14/30/259391430.db2.gz WORUXEMFMORSEI-IEVRTODYSA-N 0 0 219.328 3.555 20 0 BHADRN CCC(CC)Nc1cnn([C@@H](C)CC)c1C ZINC000390508030 259391367 /nfs/dbraw/zinc/39/13/67/259391367.db2.gz XZSJTYRTRXBOEN-JTQLQIEISA-N 0 0 223.364 3.763 20 0 BHADRN CCC(CC)Nc1cnn([C@H](C)CC)c1C ZINC000390508031 259391488 /nfs/dbraw/zinc/39/14/88/259391488.db2.gz XZSJTYRTRXBOEN-SNVBAGLBSA-N 0 0 223.364 3.763 20 0 BHADRN C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC2(F)F)C[C@@H]1C ZINC000390508217 539022555 /nfs/dbraw/zinc/02/25/55/539022555.db2.gz YDJJHISCAKAMAR-NOOOWODRSA-N 0 0 231.330 3.589 20 0 BHADRN C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC2(F)F)C[C@H]1C ZINC000390508222 539022689 /nfs/dbraw/zinc/02/26/89/539022689.db2.gz YDJJHISCAKAMAR-WYUUTHIRSA-N 0 0 231.330 3.589 20 0 BHADRN COc1cc(C)ccc1NCCCCCF ZINC000390508899 259391276 /nfs/dbraw/zinc/39/12/76/259391276.db2.gz YNKUKQCJLQFXSV-UHFFFAOYSA-N 0 0 225.307 3.555 20 0 BHADRN Cc1cc(N[C@@H]2CCSC2)ccc1C1CC1 ZINC000390510333 259391928 /nfs/dbraw/zinc/39/19/28/259391928.db2.gz ZGPTVQZCPYERCT-CYBMUJFWSA-N 0 0 233.380 3.790 20 0 BHADRN Cc1cc(N[C@H]2CCSC2)ccc1C1CC1 ZINC000390510334 259392055 /nfs/dbraw/zinc/39/20/55/259392055.db2.gz ZGPTVQZCPYERCT-ZDUSSCGKSA-N 0 0 233.380 3.790 20 0 BHADRN COC[C@@H](CC(C)C)Nc1cccc(Cl)c1 ZINC000390511335 259391775 /nfs/dbraw/zinc/39/17/75/259391775.db2.gz ZPVLVMPPSUXPIC-CYBMUJFWSA-N 0 0 241.762 3.813 20 0 BHADRN COC[C@H](CC(C)C)Nc1cccc(Cl)c1 ZINC000390511336 259391940 /nfs/dbraw/zinc/39/19/40/259391940.db2.gz ZPVLVMPPSUXPIC-ZDUSSCGKSA-N 0 0 241.762 3.813 20 0 BHADRN CCCCCNc1cccc2c1ccn2C ZINC000390512071 387330373 /nfs/dbraw/zinc/33/03/73/387330373.db2.gz BVXZUSIJBFFYBQ-UHFFFAOYSA-N 0 0 216.328 3.780 20 0 BHADRN Cc1ncccc1COc1ccccc1Cl ZINC000390512130 539022608 /nfs/dbraw/zinc/02/26/08/539022608.db2.gz ZTAJBNKJZRYJPA-UHFFFAOYSA-N 0 0 233.698 3.622 20 0 BHADRN CCC(CC)CN[C@@H](C(C)(C)C)C(F)(F)F ZINC000390513258 539025998 /nfs/dbraw/zinc/02/59/98/539025998.db2.gz CGVZRJPWOSYLCQ-JTQLQIEISA-N 0 0 239.325 3.989 20 0 BHADRN CCC(CC)CN[C@H](C(C)(C)C)C(F)(F)F ZINC000390513259 538048192 /nfs/dbraw/zinc/04/81/92/538048192.db2.gz CGVZRJPWOSYLCQ-SNVBAGLBSA-N 0 0 239.325 3.989 20 0 BHADRN CC/C=C/CCNc1ccc(OCC)cc1 ZINC000390515153 712419929 /nfs/dbraw/zinc/41/99/29/712419929.db2.gz CSMZLPSGNZMRIM-AATRIKPKSA-N 0 0 219.328 3.854 20 0 BHADRN CC/C=C\CCNc1ccc(OCC)cc1 ZINC000390515154 712419975 /nfs/dbraw/zinc/41/99/75/712419975.db2.gz CSMZLPSGNZMRIM-WAYWQWQTSA-N 0 0 219.328 3.854 20 0 BHADRN Cc1cnc(CNc2c(C)cccc2C)s1 ZINC000390515522 711122505 /nfs/dbraw/zinc/12/25/05/711122505.db2.gz CVYXLZSLKKJARF-UHFFFAOYSA-N 0 0 232.352 3.680 20 0 BHADRN C[C@@H](NC1(C(F)F)CC1)c1ccccc1Cl ZINC000390519313 259391926 /nfs/dbraw/zinc/39/19/26/259391926.db2.gz DWKCDVBUDUDCRS-MRVPVSSYSA-N 0 0 245.700 3.788 20 0 BHADRN C[C@H](NC1(C(F)F)CC1)c1ccccc1Cl ZINC000390519314 259391870 /nfs/dbraw/zinc/39/18/70/259391870.db2.gz DWKCDVBUDUDCRS-QMMMGPOBSA-N 0 0 245.700 3.788 20 0 BHADRN CCCCCNc1ncnc2scc(C)c21 ZINC000390519885 259392023 /nfs/dbraw/zinc/39/20/23/259392023.db2.gz FBEQLQPBQXXXOR-UHFFFAOYSA-N 0 0 235.356 3.602 20 0 BHADRN CCCC1CCC(NC2(C(F)F)CC2)CC1 ZINC000390520539 259391900 /nfs/dbraw/zinc/39/19/00/259391900.db2.gz FFFJREIRFYHOID-UHFFFAOYSA-N 0 0 231.330 3.733 20 0 BHADRN CSC1(CNc2ccc(C3CC3)cc2)CC1 ZINC000390522883 371211900 /nfs/dbraw/zinc/21/19/00/371211900.db2.gz FVEUNHNFFKYMAG-UHFFFAOYSA-N 0 0 233.380 3.872 20 0 BHADRN CCCCCNc1cc(F)c(F)cc1OC ZINC000390525961 259392508 /nfs/dbraw/zinc/39/25/08/259392508.db2.gz GUQSPFSLVXNLQN-UHFFFAOYSA-N 0 0 229.270 3.576 20 0 BHADRN Cc1cc(CNc2cccc(Cl)n2)c(C)o1 ZINC000390527371 711123752 /nfs/dbraw/zinc/12/37/52/711123752.db2.gz HFGSDIRKTGRJEF-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN CCC1(CNc2ccc([N+](=O)[O-])s2)CCC1 ZINC000390530296 371213221 /nfs/dbraw/zinc/21/32/21/371213221.db2.gz IFZCYVZHSJAMPX-UHFFFAOYSA-N 0 0 240.328 3.649 20 0 BHADRN CSc1ccc(N[C@@H]2CCC23CCC3)cn1 ZINC000390532293 488165430 /nfs/dbraw/zinc/16/54/30/488165430.db2.gz IXYLDTHHVHKSNV-LLVKDONJSA-N 0 0 234.368 3.548 20 0 BHADRN CSc1ccc(N[C@H]2CCC23CCC3)cn1 ZINC000390532296 488165504 /nfs/dbraw/zinc/16/55/04/488165504.db2.gz IXYLDTHHVHKSNV-NSHDSACASA-N 0 0 234.368 3.548 20 0 BHADRN Cc1ccc(NC2CSC2)cc1C(F)(F)F ZINC000390533734 539026226 /nfs/dbraw/zinc/02/62/26/539026226.db2.gz JMPCLDMKZXEQAN-UHFFFAOYSA-N 0 0 247.285 3.541 20 0 BHADRN Cc1cccc(N[C@@H]2CC[C@H]2C2CC2)c1C ZINC000390535214 539026173 /nfs/dbraw/zinc/02/61/73/539026173.db2.gz JWGVLKPDOIDZCN-DZGCQCFKSA-N 0 0 215.340 3.904 20 0 BHADRN Cc1cccc(N[C@H]2CC[C@@H]2C2CC2)c1C ZINC000390535216 539026234 /nfs/dbraw/zinc/02/62/34/539026234.db2.gz JWGVLKPDOIDZCN-HIFRSBDPSA-N 0 0 215.340 3.904 20 0 BHADRN Cc1cccc(N[C@@H]2CC[C@@H]2C2CC2)c1C ZINC000390535218 539026142 /nfs/dbraw/zinc/02/61/42/539026142.db2.gz JWGVLKPDOIDZCN-UKRRQHHQSA-N 0 0 215.340 3.904 20 0 BHADRN Cc1cccc(N[C@H]2CC[C@H]2C2CC2)c1C ZINC000390535225 539026214 /nfs/dbraw/zinc/02/62/14/539026214.db2.gz JWGVLKPDOIDZCN-ZFWWWQNUSA-N 0 0 215.340 3.904 20 0 BHADRN COc1cc(Cl)ccc1NCCCCCF ZINC000390539791 711124053 /nfs/dbraw/zinc/12/40/53/711124053.db2.gz LAERNIBWMKCTQD-UHFFFAOYSA-N 0 0 245.725 3.900 20 0 BHADRN CCC(C)(C)Nc1nc2c(cccc2F)o1 ZINC000390544506 259393297 /nfs/dbraw/zinc/39/32/97/259393297.db2.gz MIKZUKSZTRYJNK-UHFFFAOYSA-N 0 0 222.263 3.567 20 0 BHADRN Cc1ccc(Cl)c(NCCC2(F)CCC2)n1 ZINC000390551129 711125173 /nfs/dbraw/zinc/12/51/73/711125173.db2.gz OSYFBGSBANDFIZ-UHFFFAOYSA-N 0 0 242.725 3.738 20 0 BHADRN COc1cc(C)c(N[C@H](C)C2CC2)cc1C ZINC000390553406 711125543 /nfs/dbraw/zinc/12/55/43/711125543.db2.gz PPTNIQXOVRIXHY-LLVKDONJSA-N 0 0 219.328 3.522 20 0 BHADRN COc1cc(C)c(N[C@@H](C)C2CC2)cc1C ZINC000390553580 711125786 /nfs/dbraw/zinc/12/57/86/711125786.db2.gz PPTNIQXOVRIXHY-NSHDSACASA-N 0 0 219.328 3.522 20 0 BHADRN CC(=O)c1c(Cl)cccc1N1CCCCC1 ZINC000390556958 397895834 /nfs/dbraw/zinc/89/58/34/397895834.db2.gz ITDFMKZZEYUPAW-UHFFFAOYSA-N 0 0 237.730 3.533 20 0 BHADRN CCc1ccc(NCc2ccon2)cc1Cl ZINC000390558338 539026344 /nfs/dbraw/zinc/02/63/44/539026344.db2.gz REVCUHLFTKXSSV-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN COc1ccccc1N[C@H]1CC[C@@H]1C(C)C ZINC000390562021 539026296 /nfs/dbraw/zinc/02/62/96/539026296.db2.gz SEPSDUADNVBOKN-NEPJUHHUSA-N 0 0 219.328 3.542 20 0 BHADRN COc1ccccc1N[C@@H]1CC[C@H]1C(C)C ZINC000390562022 539026258 /nfs/dbraw/zinc/02/62/58/539026258.db2.gz SEPSDUADNVBOKN-NWDGAFQWSA-N 0 0 219.328 3.542 20 0 BHADRN COc1ccccc1N[C@H]1CC[C@H]1C(C)C ZINC000390562023 539026534 /nfs/dbraw/zinc/02/65/34/539026534.db2.gz SEPSDUADNVBOKN-RYUDHWBXSA-N 0 0 219.328 3.542 20 0 BHADRN COc1ccccc1N[C@@H]1CC[C@@H]1C(C)C ZINC000390562024 539026526 /nfs/dbraw/zinc/02/65/26/539026526.db2.gz SEPSDUADNVBOKN-VXGBXAGGSA-N 0 0 219.328 3.542 20 0 BHADRN COc1ccc(N[C@@H](C)[C@@H]2CC2(C)C)cc1 ZINC000390563152 711125249 /nfs/dbraw/zinc/12/52/49/711125249.db2.gz SMKKCOPNVXVEQX-GWCFXTLKSA-N 0 0 219.328 3.542 20 0 BHADRN COc1ccc(N[C@@H](C)[C@H]2CC2(C)C)cc1 ZINC000390563161 711125825 /nfs/dbraw/zinc/12/58/25/711125825.db2.gz SMKKCOPNVXVEQX-GXFFZTMASA-N 0 0 219.328 3.542 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)[C@@H]1CCCO1 ZINC000390563284 347393177 /nfs/dbraw/zinc/39/31/77/347393177.db2.gz KYUUYTGGZJMFEE-GWCFXTLKSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)[C@H]1CCCO1 ZINC000390563285 347392989 /nfs/dbraw/zinc/39/29/89/347392989.db2.gz KYUUYTGGZJMFEE-GXFFZTMASA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)[C@@H]1CCCO1 ZINC000390563286 347393042 /nfs/dbraw/zinc/39/30/42/347393042.db2.gz KYUUYTGGZJMFEE-MFKMUULPSA-N 0 0 239.746 3.628 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)[C@H]1CCCO1 ZINC000390563287 347392969 /nfs/dbraw/zinc/39/29/69/347392969.db2.gz KYUUYTGGZJMFEE-ZWNOBZJWSA-N 0 0 239.746 3.628 20 0 BHADRN COc1ccc(N[C@H](C)[C@@H]2CC2(C)C)cc1 ZINC000390563525 711125193 /nfs/dbraw/zinc/12/51/93/711125193.db2.gz SMKKCOPNVXVEQX-MFKMUULPSA-N 0 0 219.328 3.542 20 0 BHADRN COc1ccc(N[C@H](C)[C@H]2CC2(C)C)cc1 ZINC000390563526 711124916 /nfs/dbraw/zinc/12/49/16/711124916.db2.gz SMKKCOPNVXVEQX-ZWNOBZJWSA-N 0 0 219.328 3.542 20 0 BHADRN CC1(CCNc2nccc3sccc32)CC1 ZINC000390569934 539026380 /nfs/dbraw/zinc/02/63/80/539026380.db2.gz UURAPVFPHUATND-UHFFFAOYSA-N 0 0 232.352 3.898 20 0 BHADRN COC1(CNc2ccc(Cl)cc2)CCCC1 ZINC000390571521 259394209 /nfs/dbraw/zinc/39/42/09/259394209.db2.gz VDHNKUVWMXWJLZ-UHFFFAOYSA-N 0 0 239.746 3.711 20 0 BHADRN CCc1cc(NCCC(F)(F)F)ccc1F ZINC000390573114 259394221 /nfs/dbraw/zinc/39/42/21/259394221.db2.gz VKTCUDOOQVPEQI-UHFFFAOYSA-N 0 0 235.224 3.752 20 0 BHADRN CC(C)Oc1ccc(N[C@@H]2CC[C@H]2C)cc1 ZINC000390574417 711126973 /nfs/dbraw/zinc/12/69/73/711126973.db2.gz OBKPVXJPGTXPMZ-BXUZGUMPSA-N 0 0 219.328 3.684 20 0 BHADRN CC(C)Oc1ccc(N[C@H]2CC[C@@H]2C)cc1 ZINC000390574420 711127226 /nfs/dbraw/zinc/12/72/26/711127226.db2.gz OBKPVXJPGTXPMZ-FZMZJTMJSA-N 0 0 219.328 3.684 20 0 BHADRN CC(C)Oc1ccc(N[C@H]2CC[C@H]2C)cc1 ZINC000390574422 711126996 /nfs/dbraw/zinc/12/69/96/711126996.db2.gz OBKPVXJPGTXPMZ-RISCZKNCSA-N 0 0 219.328 3.684 20 0 BHADRN CC(C)Oc1ccc(N[C@@H]2CC[C@@H]2C)cc1 ZINC000390574425 711126945 /nfs/dbraw/zinc/12/69/45/711126945.db2.gz OBKPVXJPGTXPMZ-SMDDNHRTSA-N 0 0 219.328 3.684 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc3cc[nH]c32)[C@@H]1C ZINC000390578082 259393996 /nfs/dbraw/zinc/39/39/96/259393996.db2.gz WKPNFSAWHGTARE-BREBYQMCSA-N 0 0 214.312 3.624 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc3cc[nH]c32)[C@H]1C ZINC000390578083 259394232 /nfs/dbraw/zinc/39/42/32/259394232.db2.gz WKPNFSAWHGTARE-GBIKHYSHSA-N 0 0 214.312 3.624 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc3cc[nH]c32)[C@@H]1C ZINC000390578084 259394084 /nfs/dbraw/zinc/39/40/84/259394084.db2.gz WKPNFSAWHGTARE-GIPNMCIBSA-N 0 0 214.312 3.624 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc3cc[nH]c32)[C@H]1C ZINC000390578086 259394214 /nfs/dbraw/zinc/39/42/14/259394214.db2.gz WKPNFSAWHGTARE-NRUUGDAUSA-N 0 0 214.312 3.624 20 0 BHADRN COc1cc(Cl)ccc1NCc1ccco1 ZINC000390578109 711127007 /nfs/dbraw/zinc/12/70/07/711127007.db2.gz WLHXYPLWPLHQIO-UHFFFAOYSA-N 0 0 237.686 3.554 20 0 BHADRN COc1cc(C)c(N[C@@H]2CC[C@H]2C)cc1C ZINC000390583842 711126950 /nfs/dbraw/zinc/12/69/50/711126950.db2.gz XMZSCCASLNSYJS-BXKDBHETSA-N 0 0 219.328 3.522 20 0 BHADRN COc1cc(C)c(N[C@H]2CC[C@@H]2C)cc1C ZINC000390583843 711126899 /nfs/dbraw/zinc/12/68/99/711126899.db2.gz XMZSCCASLNSYJS-CABZTGNLSA-N 0 0 219.328 3.522 20 0 BHADRN COc1cc(C)c(N[C@@H]2CC[C@@H]2C)cc1C ZINC000390583844 711126558 /nfs/dbraw/zinc/12/65/58/711126558.db2.gz XMZSCCASLNSYJS-JOYOIKCWSA-N 0 0 219.328 3.522 20 0 BHADRN COc1cc(C)c(N[C@H]2CC[C@H]2C)cc1C ZINC000390583846 711126930 /nfs/dbraw/zinc/12/69/30/711126930.db2.gz XMZSCCASLNSYJS-SKDRFNHKSA-N 0 0 219.328 3.522 20 0 BHADRN COC[C@@H](C)CNc1cccc2ccsc21 ZINC000390585559 357102183 /nfs/dbraw/zinc/10/21/83/357102183.db2.gz YAKINNQGFFNFRK-JTQLQIEISA-N 0 0 235.352 3.596 20 0 BHADRN COC[C@H](C)CNc1cccc2ccsc21 ZINC000390585560 357102367 /nfs/dbraw/zinc/10/23/67/357102367.db2.gz YAKINNQGFFNFRK-SNVBAGLBSA-N 0 0 235.352 3.596 20 0 BHADRN CCCCCNc1ccc(C(C)=O)c(C)c1 ZINC000390585616 259394793 /nfs/dbraw/zinc/39/47/93/259394793.db2.gz YDDGLLONIJYNHZ-UHFFFAOYSA-N 0 0 219.328 3.800 20 0 BHADRN CCCOc1ccccc1NC[C@H](F)CC ZINC000390588581 259394397 /nfs/dbraw/zinc/39/43/97/259394397.db2.gz YROXQRHUYXAHIC-LLVKDONJSA-N 0 0 225.307 3.635 20 0 BHADRN CCCOc1ccccc1NC[C@@H](F)CC ZINC000390588582 259394384 /nfs/dbraw/zinc/39/43/84/259394384.db2.gz YROXQRHUYXAHIC-NSHDSACASA-N 0 0 225.307 3.635 20 0 BHADRN CCc1cc(NC[C@@H]2CCSC2)ccc1F ZINC000390589314 259394548 /nfs/dbraw/zinc/39/45/48/259394548.db2.gz YXFKDHQOZOMMIV-JTQLQIEISA-N 0 0 239.359 3.553 20 0 BHADRN CCc1cc(NC[C@H]2CCSC2)ccc1F ZINC000390589315 259394370 /nfs/dbraw/zinc/39/43/70/259394370.db2.gz YXFKDHQOZOMMIV-SNVBAGLBSA-N 0 0 239.359 3.553 20 0 BHADRN COC[C@@H](C)CNc1csc2ccccc12 ZINC000390599519 357111893 /nfs/dbraw/zinc/11/18/93/357111893.db2.gz AZGYHKPQNFDASL-JTQLQIEISA-N 0 0 235.352 3.596 20 0 BHADRN COC[C@H](C)CNc1csc2ccccc12 ZINC000390599525 357111955 /nfs/dbraw/zinc/11/19/55/357111955.db2.gz AZGYHKPQNFDASL-SNVBAGLBSA-N 0 0 235.352 3.596 20 0 BHADRN CCc1cccc(NC2CC(C(F)F)C2)c1 ZINC000390601402 711128619 /nfs/dbraw/zinc/12/86/19/711128619.db2.gz BIMQDEMJBYOKIJ-UHFFFAOYSA-N 0 0 225.282 3.705 20 0 BHADRN CC[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)C(F)(F)F ZINC000390604432 259395029 /nfs/dbraw/zinc/39/50/29/259395029.db2.gz CDGXPHGMUYQVJD-AEJSXWLSSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000390604433 259395284 /nfs/dbraw/zinc/39/52/84/259395284.db2.gz CDGXPHGMUYQVJD-BBBLOLIVSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)C(F)(F)F ZINC000390604556 259395102 /nfs/dbraw/zinc/39/51/02/259395102.db2.gz CDGXPHGMUYQVJD-GUBZILKMSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000390604557 259394933 /nfs/dbraw/zinc/39/49/33/259394933.db2.gz CDGXPHGMUYQVJD-UTLUCORTSA-N 0 0 237.309 3.742 20 0 BHADRN C[C@@H](Nc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000390604559 259395065 /nfs/dbraw/zinc/39/50/65/259395065.db2.gz CDMJEAIBZDBTLQ-GHMZBOCLSA-N 0 0 239.746 3.567 20 0 BHADRN C[C@@H](Nc1ccccc1Cl)[C@H]1CCCOC1 ZINC000390604560 259394924 /nfs/dbraw/zinc/39/49/24/259394924.db2.gz CDMJEAIBZDBTLQ-MNOVXSKESA-N 0 0 239.746 3.567 20 0 BHADRN C[C@H](Nc1ccccc1Cl)[C@H]1CCCOC1 ZINC000390604561 259395252 /nfs/dbraw/zinc/39/52/52/259395252.db2.gz CDMJEAIBZDBTLQ-QWRGUYRKSA-N 0 0 239.746 3.567 20 0 BHADRN C[C@H](Nc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000390604562 259395269 /nfs/dbraw/zinc/39/52/69/259395269.db2.gz CDMJEAIBZDBTLQ-WDEREUQCSA-N 0 0 239.746 3.567 20 0 BHADRN CCc1cccc(N[C@@H]2CCSC2)c1CC ZINC000390605610 539026464 /nfs/dbraw/zinc/02/64/64/539026464.db2.gz CNBIGZYOOXDJQI-GFCCVEGCSA-N 0 0 235.396 3.729 20 0 BHADRN CCc1cccc(N[C@H]2CCSC2)c1CC ZINC000390605611 539026476 /nfs/dbraw/zinc/02/64/76/539026476.db2.gz CNBIGZYOOXDJQI-LBPRGKRZSA-N 0 0 235.396 3.729 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H]2CC[C@H]2C)c1 ZINC000390624264 711129397 /nfs/dbraw/zinc/12/93/97/711129397.db2.gz JJVMJIAFLOGKSA-GYSYKLTISA-N 0 0 219.328 3.604 20 0 BHADRN CO[C@H](C)c1cccc(N[C@@H]2CC[C@H]2C)c1 ZINC000390624267 711129477 /nfs/dbraw/zinc/12/94/77/711129477.db2.gz JJVMJIAFLOGKSA-JTNHKYCSSA-N 0 0 219.328 3.604 20 0 BHADRN CO[C@H](C)c1cccc(N[C@@H]2CC[C@@H]2C)c1 ZINC000390624272 711129711 /nfs/dbraw/zinc/12/97/11/711129711.db2.gz JJVMJIAFLOGKSA-MISXGVKJSA-N 0 0 219.328 3.604 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H]2CC[C@@H]2C)c1 ZINC000390624277 711129628 /nfs/dbraw/zinc/12/96/28/711129628.db2.gz JJVMJIAFLOGKSA-WDMOLILDSA-N 0 0 219.328 3.604 20 0 BHADRN CCCCCNc1cccc(C(=O)CC)c1 ZINC000390624953 259395891 /nfs/dbraw/zinc/39/58/91/259395891.db2.gz JNXRCYPONIXLKS-UHFFFAOYSA-N 0 0 219.328 3.881 20 0 BHADRN CCCOc1cccc(N[C@@H]2CC[C@H]2C)c1 ZINC000390626456 711129791 /nfs/dbraw/zinc/12/97/91/711129791.db2.gz HJXYDIFQTDHKFV-BXUZGUMPSA-N 0 0 219.328 3.686 20 0 BHADRN CCCOc1cccc(N[C@H]2CC[C@@H]2C)c1 ZINC000390626457 711128995 /nfs/dbraw/zinc/12/89/95/711128995.db2.gz HJXYDIFQTDHKFV-FZMZJTMJSA-N 0 0 219.328 3.686 20 0 BHADRN CCCOc1cccc(N[C@H]2CC[C@H]2C)c1 ZINC000390626458 712422121 /nfs/dbraw/zinc/42/21/21/712422121.db2.gz HJXYDIFQTDHKFV-RISCZKNCSA-N 0 0 219.328 3.686 20 0 BHADRN CCCOc1cccc(N[C@@H]2CC[C@@H]2C)c1 ZINC000390626460 712422276 /nfs/dbraw/zinc/42/22/76/712422276.db2.gz HJXYDIFQTDHKFV-SMDDNHRTSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccccc1N[C@H](C)C1CCC1 ZINC000390628416 259395885 /nfs/dbraw/zinc/39/58/85/259395885.db2.gz KMFLYJVOVUEGTJ-LLVKDONJSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1ccccc1N[C@@H](C)C1CCC1 ZINC000390628417 259395576 /nfs/dbraw/zinc/39/55/76/259395576.db2.gz KMFLYJVOVUEGTJ-NSHDSACASA-N 0 0 219.328 3.686 20 0 BHADRN CCn1cc(NCC(CC)(CC)CC)cn1 ZINC000390630073 539026566 /nfs/dbraw/zinc/02/65/66/539026566.db2.gz KXPRAUIWNXEPNX-UHFFFAOYSA-N 0 0 223.364 3.531 20 0 BHADRN COc1cccc(NCc2cccs2)c1F ZINC000390644355 711130297 /nfs/dbraw/zinc/13/02/97/711130297.db2.gz NOECZLXTWAEKLL-UHFFFAOYSA-N 0 0 237.299 3.508 20 0 BHADRN CCc1ccc(NCCOC(C)C)cc1Cl ZINC000390645469 259396090 /nfs/dbraw/zinc/39/60/90/259396090.db2.gz NTJNYAPIMZTKEX-UHFFFAOYSA-N 0 0 241.762 3.739 20 0 BHADRN CCOc1ccccc1NC1CC(C)(C)C1 ZINC000390649171 259397056 /nfs/dbraw/zinc/39/70/56/259397056.db2.gz OSGMEWVPSHFHTA-UHFFFAOYSA-N 0 0 219.328 3.686 20 0 BHADRN C[C@@H](NC1(C(F)F)CC1)c1ccc(Cl)cc1 ZINC000390649812 259396817 /nfs/dbraw/zinc/39/68/17/259396817.db2.gz OYONDHIQNIRQPW-MRVPVSSYSA-N 0 0 245.700 3.788 20 0 BHADRN C[C@H](NC1(C(F)F)CC1)c1ccc(Cl)cc1 ZINC000390649813 259397203 /nfs/dbraw/zinc/39/72/03/259397203.db2.gz OYONDHIQNIRQPW-QMMMGPOBSA-N 0 0 245.700 3.788 20 0 BHADRN Cc1ccoc1CNc1nc(C)ccc1Cl ZINC000390661751 711130909 /nfs/dbraw/zinc/13/09/09/711130909.db2.gz SLYRXNRGKPKKST-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN COc1cc(NC2CCCC2)c(C)cc1C ZINC000390665379 259397601 /nfs/dbraw/zinc/39/76/01/259397601.db2.gz UDVCKJWRCDPYKW-UHFFFAOYSA-N 0 0 219.328 3.667 20 0 BHADRN CC[C@H](N[C@@H]1CC[C@@H](C)C[C@H]1C)C(F)(F)F ZINC000390669107 259397552 /nfs/dbraw/zinc/39/75/52/259397552.db2.gz UYRKGVVUJUCUMS-DBIOUOCHSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CC[C@H](C)C[C@@H]1C)C(F)(F)F ZINC000390669108 259397350 /nfs/dbraw/zinc/39/73/50/259397350.db2.gz UYRKGVVUJUCUMS-MMWGEVLESA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CC[C@@H](C)C[C@@H]1C)C(F)(F)F ZINC000390669110 259397478 /nfs/dbraw/zinc/39/74/78/259397478.db2.gz UYRKGVVUJUCUMS-YTWAJWBKSA-N 0 0 237.309 3.742 20 0 BHADRN CC[C@H](N[C@@H]1CC[C@H](C)C[C@H]1C)C(F)(F)F ZINC000390669111 259397507 /nfs/dbraw/zinc/39/75/07/259397507.db2.gz UYRKGVVUJUCUMS-ZDCRXTMVSA-N 0 0 237.309 3.742 20 0 BHADRN CSc1c(F)cc(NCC2(C)CC2)cc1F ZINC000390676154 371225716 /nfs/dbraw/zinc/22/57/16/371225716.db2.gz XSVLDBSOZQIPLM-UHFFFAOYSA-N 0 0 243.322 3.899 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@H]2C2CC2)cc1F ZINC000390676947 539027143 /nfs/dbraw/zinc/02/71/43/539027143.db2.gz YBBIHEGXKZXCEX-GXTWGEPZSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@H]2C2CC2)cc1F ZINC000390676949 539027067 /nfs/dbraw/zinc/02/70/67/539027067.db2.gz YBBIHEGXKZXCEX-JSGCOSHPSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@@H]2C2CC2)cc1F ZINC000390676952 539026983 /nfs/dbraw/zinc/02/69/83/539026983.db2.gz YBBIHEGXKZXCEX-OCCSQVGLSA-N 0 0 219.303 3.735 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@@H]2C2CC2)cc1F ZINC000390676956 539027089 /nfs/dbraw/zinc/02/70/89/539027089.db2.gz YBBIHEGXKZXCEX-TZMCWYRMSA-N 0 0 219.303 3.735 20 0 BHADRN CCOc1ccc(NCCCCF)c(C)c1 ZINC000390678597 711131784 /nfs/dbraw/zinc/13/17/84/711131784.db2.gz YUFQBKUNDWEVNG-UHFFFAOYSA-N 0 0 225.307 3.555 20 0 BHADRN COc1cc(Cl)c(C)cc1NCCCCF ZINC000390685252 259398186 /nfs/dbraw/zinc/39/81/86/259398186.db2.gz ZQNKJXSCCRBGJJ-UHFFFAOYSA-N 0 0 245.725 3.819 20 0 BHADRN CCOc1cc(C)ccc1N[C@H]1CC[C@H]1C ZINC000390685684 712423874 /nfs/dbraw/zinc/42/38/74/712423874.db2.gz ZZPOOXJUTIYVSI-NEPJUHHUSA-N 0 0 219.328 3.604 20 0 BHADRN CCOc1cc(C)ccc1N[C@@H]1CC[C@@H]1C ZINC000390685685 712423872 /nfs/dbraw/zinc/42/38/72/712423872.db2.gz ZZPOOXJUTIYVSI-NWDGAFQWSA-N 0 0 219.328 3.604 20 0 BHADRN CCOc1cc(C)ccc1N[C@H]1CC[C@@H]1C ZINC000390685686 712423863 /nfs/dbraw/zinc/42/38/63/712423863.db2.gz ZZPOOXJUTIYVSI-RYUDHWBXSA-N 0 0 219.328 3.604 20 0 BHADRN CCOc1cc(C)ccc1N[C@@H]1CC[C@H]1C ZINC000390685687 712423878 /nfs/dbraw/zinc/42/38/78/712423878.db2.gz ZZPOOXJUTIYVSI-VXGBXAGGSA-N 0 0 219.328 3.604 20 0 BHADRN CC[C@H]1CC[C@H](Nc2ccc(F)cn2)CC1 ZINC000390749520 259399274 /nfs/dbraw/zinc/39/92/74/259399274.db2.gz BQHJUXNMLATIQZ-UMSPYCQHSA-N 0 0 222.307 3.601 20 0 BHADRN CCCCNc1ccc(C)c(OC(F)F)c1 ZINC000390752579 259399994 /nfs/dbraw/zinc/39/99/94/259399994.db2.gz DVSCYGUEWBVWCK-UHFFFAOYSA-N 0 0 229.270 3.808 20 0 BHADRN CC(C)=CCN[C@H](c1ccccc1)C(F)F ZINC000390755386 385471396 /nfs/dbraw/zinc/47/13/96/385471396.db2.gz HBBRGZSXHPNVRY-GFCCVEGCSA-N 0 0 225.282 3.549 20 0 BHADRN CC(C)=CCN[C@@H](c1ccccc1)C(F)F ZINC000390755387 385470593 /nfs/dbraw/zinc/47/05/93/385470593.db2.gz HBBRGZSXHPNVRY-LBPRGKRZSA-N 0 0 225.282 3.549 20 0 BHADRN CCC(CC)Nc1cccc2ccn(C)c21 ZINC000390772525 398098193 /nfs/dbraw/zinc/09/81/93/398098193.db2.gz XDAUTDWXJMBIFE-UHFFFAOYSA-N 0 0 216.328 3.779 20 0 BHADRN Fc1ccc(NCC2(F)CC2)cc1C1CC1 ZINC000390773469 357115619 /nfs/dbraw/zinc/11/56/19/357115619.db2.gz YGBKMUHZZNORHB-UHFFFAOYSA-N 0 0 223.266 3.617 20 0 BHADRN CC(C)CCN[C@H](c1ccccc1)C(F)F ZINC000390778704 385895766 /nfs/dbraw/zinc/89/57/66/385895766.db2.gz HLTRLXJWEWPMKE-GFCCVEGCSA-N 0 0 227.298 3.629 20 0 BHADRN CC(C)CCN[C@@H](c1ccccc1)C(F)F ZINC000390778705 385895246 /nfs/dbraw/zinc/89/52/46/385895246.db2.gz HLTRLXJWEWPMKE-LBPRGKRZSA-N 0 0 227.298 3.629 20 0 BHADRN CCCCNc1ccc(OCC(F)F)cc1 ZINC000390778724 711133737 /nfs/dbraw/zinc/13/37/37/711133737.db2.gz HMRURYZPPNHOLJ-UHFFFAOYSA-N 0 0 229.270 3.543 20 0 BHADRN CCCCCN[C@H](c1ccccc1)C(F)F ZINC000390779190 385895208 /nfs/dbraw/zinc/89/52/08/385895208.db2.gz HXQLISOGHOFVBB-GFCCVEGCSA-N 0 0 227.298 3.773 20 0 BHADRN CCCCCN[C@@H](c1ccccc1)C(F)F ZINC000390779191 385895421 /nfs/dbraw/zinc/89/54/21/385895421.db2.gz HXQLISOGHOFVBB-LBPRGKRZSA-N 0 0 227.298 3.773 20 0 BHADRN CC/C=C\CCNc1ccc(OC)c(F)c1 ZINC000390781020 711134623 /nfs/dbraw/zinc/13/46/23/711134623.db2.gz JRULOZRVKIKUAS-PLNGDYQASA-N 0 0 223.291 3.603 20 0 BHADRN CC/C=C/CCNc1ccc(OC)c(F)c1 ZINC000390781021 711134949 /nfs/dbraw/zinc/13/49/49/711134949.db2.gz JRULOZRVKIKUAS-SNAWJCMRSA-N 0 0 223.291 3.603 20 0 BHADRN CCCCNc1cc(F)ccc1OC(F)F ZINC000390784959 385900847 /nfs/dbraw/zinc/90/08/47/385900847.db2.gz NRVDGTFPFFIZIZ-UHFFFAOYSA-N 0 0 233.233 3.639 20 0 BHADRN FC1(F)CC(Nc2nccc3sccc32)C1 ZINC000390789253 539027537 /nfs/dbraw/zinc/02/75/37/539027537.db2.gz AUHKUQSXNGQUIP-UHFFFAOYSA-N 0 0 240.278 3.506 20 0 BHADRN FC(F)C1(NCCC2CCCCCC2)CC1 ZINC000390795722 385904868 /nfs/dbraw/zinc/90/48/68/385904868.db2.gz QVFYOPGTDQJEEQ-UHFFFAOYSA-N 0 0 231.330 3.734 20 0 BHADRN CCc1c(Cl)nc(C)nc1NC(CC)CC ZINC000390797858 711134652 /nfs/dbraw/zinc/13/46/52/711134652.db2.gz URIJWKWCUYWLNV-UHFFFAOYSA-N 0 0 241.766 3.601 20 0 BHADRN Fc1ccc(C2([NH2+]C/C=C\Cl)CCC2)cc1 ZINC000390815645 712427786 /nfs/dbraw/zinc/42/77/86/712427786.db2.gz JVMYZWFVGBTUDZ-MBXJOHMKSA-N 0 0 239.721 3.547 20 0 BHADRN Fc1ccc(C2([NH2+]C/C=C/Cl)CCC2)cc1 ZINC000390815646 712427719 /nfs/dbraw/zinc/42/77/19/712427719.db2.gz JVMYZWFVGBTUDZ-XNWCZRBMSA-N 0 0 239.721 3.547 20 0 BHADRN O=[N+]([O-])c1sccc1NCC1CCCCC1 ZINC000390815764 350117048 /nfs/dbraw/zinc/11/70/48/350117048.db2.gz KDGLMDCNKQQKOK-UHFFFAOYSA-N 0 0 240.328 3.649 20 0 BHADRN FC(F)C1(NCc2cccs2)CCCCC1 ZINC000390816096 385922412 /nfs/dbraw/zinc/92/24/12/385922412.db2.gz KWXAUBCFCNIEGW-UHFFFAOYSA-N 0 0 245.338 3.806 20 0 BHADRN Fc1ccc(N[C@@H]2CCC23CCCC3)cc1 ZINC000390816301 385921127 /nfs/dbraw/zinc/92/11/27/385921127.db2.gz LIXQZKRUPADYJQ-CYBMUJFWSA-N 0 0 219.303 3.960 20 0 BHADRN Fc1ccc(N[C@H]2CCC23CCCC3)cc1 ZINC000390816302 385921437 /nfs/dbraw/zinc/92/14/37/385921437.db2.gz LIXQZKRUPADYJQ-ZDUSSCGKSA-N 0 0 219.303 3.960 20 0 BHADRN Clc1cccc(OCCC2CCOCC2)c1 ZINC000390816309 259415785 /nfs/dbraw/zinc/41/57/85/259415785.db2.gz LJQSESNCUDSMIY-UHFFFAOYSA-N 0 0 240.730 3.536 20 0 BHADRN Fc1ccccc1N[C@H]1CC[C@H]1C1CCC1 ZINC000390819088 385924553 /nfs/dbraw/zinc/92/45/53/385924553.db2.gz SHYSJIBBORXSJI-AAEUAGOBSA-N 0 0 219.303 3.816 20 0 BHADRN Fc1ccccc1N[C@@H]1CC[C@@H]1C1CCC1 ZINC000390819089 385924872 /nfs/dbraw/zinc/92/48/72/385924872.db2.gz SHYSJIBBORXSJI-DGCLKSJQSA-N 0 0 219.303 3.816 20 0 BHADRN Fc1ccccc1N[C@@H]1CC[C@H]1C1CCC1 ZINC000390819090 385923972 /nfs/dbraw/zinc/92/39/72/385923972.db2.gz SHYSJIBBORXSJI-WCQYABFASA-N 0 0 219.303 3.816 20 0 BHADRN Fc1ccccc1N[C@H]1CC[C@@H]1C1CCC1 ZINC000390819091 385924418 /nfs/dbraw/zinc/92/44/18/385924418.db2.gz SHYSJIBBORXSJI-YPMHNXCESA-N 0 0 219.303 3.816 20 0 BHADRN CCCC[C@@H](C)[C@H](C)Nc1cnn(CC)c1 ZINC000390819666 385925565 /nfs/dbraw/zinc/92/55/65/385925565.db2.gz UMTJGRXCDHOWDA-NEPJUHHUSA-N 0 0 223.364 3.530 20 0 BHADRN CCCC[C@H](C)[C@@H](C)Nc1cnn(CC)c1 ZINC000390819667 259415956 /nfs/dbraw/zinc/41/59/56/259415956.db2.gz UMTJGRXCDHOWDA-NWDGAFQWSA-N 0 0 223.364 3.530 20 0 BHADRN CCCC[C@H](C)[C@H](C)Nc1cnn(CC)c1 ZINC000390819668 385924613 /nfs/dbraw/zinc/92/46/13/385924613.db2.gz UMTJGRXCDHOWDA-RYUDHWBXSA-N 0 0 223.364 3.530 20 0 BHADRN CCCC[C@@H](C)[C@@H](C)Nc1cnn(CC)c1 ZINC000390819669 385928396 /nfs/dbraw/zinc/92/83/96/385928396.db2.gz UMTJGRXCDHOWDA-VXGBXAGGSA-N 0 0 223.364 3.530 20 0 BHADRN Fc1ccc(N[C@H]2CC[C@H]2C2CC2)cc1F ZINC000390820257 539027513 /nfs/dbraw/zinc/02/75/13/539027513.db2.gz VSXUXRBXOVXCOS-GWCFXTLKSA-N 0 0 223.266 3.565 20 0 BHADRN Fc1ccc(N[C@@H]2CC[C@H]2C2CC2)cc1F ZINC000390820258 539027657 /nfs/dbraw/zinc/02/76/57/539027657.db2.gz VSXUXRBXOVXCOS-GXFFZTMASA-N 0 0 223.266 3.565 20 0 BHADRN Fc1ccc(N[C@H]2CC[C@@H]2C2CC2)cc1F ZINC000390820259 539027615 /nfs/dbraw/zinc/02/76/15/539027615.db2.gz VSXUXRBXOVXCOS-MFKMUULPSA-N 0 0 223.266 3.565 20 0 BHADRN Fc1ccc(N[C@@H]2CC[C@@H]2C2CC2)cc1F ZINC000390820260 539027558 /nfs/dbraw/zinc/02/75/58/539027558.db2.gz VSXUXRBXOVXCOS-ZWNOBZJWSA-N 0 0 223.266 3.565 20 0 BHADRN FC1(F)CCC[C@H]1NCc1ccc(Cl)cc1 ZINC000390820606 539027582 /nfs/dbraw/zinc/02/75/82/539027582.db2.gz WMUQMTHTAQVREG-LLVKDONJSA-N 0 0 245.700 3.617 20 0 BHADRN FC1(F)CCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000390820607 539027445 /nfs/dbraw/zinc/02/74/45/539027445.db2.gz WMUQMTHTAQVREG-NSHDSACASA-N 0 0 245.700 3.617 20 0 BHADRN FC1(F)CCC[C@@H]1CNc1ncccc1Cl ZINC000390894799 386036862 /nfs/dbraw/zinc/03/68/62/386036862.db2.gz QVEKYDHRTGYNRH-MRVPVSSYSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CCC[C@H]1CNc1ncccc1Cl ZINC000390894801 386038333 /nfs/dbraw/zinc/03/83/33/386038333.db2.gz QVEKYDHRTGYNRH-QMMMGPOBSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CCC[C@@H]1CNc1cccc(Cl)n1 ZINC000390958296 711136546 /nfs/dbraw/zinc/13/65/46/711136546.db2.gz CADHKVWYWGOVBG-MRVPVSSYSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CCC[C@H]1CNc1cccc(Cl)n1 ZINC000390958297 711756514 /nfs/dbraw/zinc/75/65/14/711756514.db2.gz CADHKVWYWGOVBG-QMMMGPOBSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CCC[C@@H]1CNc1ccnc(Cl)c1 ZINC000390997722 711135826 /nfs/dbraw/zinc/13/58/26/711135826.db2.gz SIWXEFSRWQAIEL-MRVPVSSYSA-N 0 0 246.688 3.582 20 0 BHADRN FC1(F)CCC[C@H]1CNc1ccnc(Cl)c1 ZINC000390997724 711136205 /nfs/dbraw/zinc/13/62/05/711136205.db2.gz SIWXEFSRWQAIEL-QMMMGPOBSA-N 0 0 246.688 3.582 20 0 BHADRN CCC(CC)(CC)CNC(=O)c1cccs1 ZINC000391048568 323098887 /nfs/dbraw/zinc/09/88/87/323098887.db2.gz CLEZAFSFXWLMGH-UHFFFAOYSA-N 0 0 239.384 3.694 20 0 BHADRN CCC(CC)(CC)CNC(=O)c1ccccc1 ZINC000391095035 386377833 /nfs/dbraw/zinc/37/78/33/386377833.db2.gz MFOIIEUDZLAZLD-UHFFFAOYSA-N 0 0 233.355 3.633 20 0 BHADRN CC(C)CC(C)(C)CNC(=O)c1cccs1 ZINC000391123234 323099297 /nfs/dbraw/zinc/09/92/97/323099297.db2.gz GJNNSCQJOFLVAK-UHFFFAOYSA-N 0 0 239.384 3.550 20 0 BHADRN CC(C)c1ccc(N[C@H]2CCOC2(C)C)cc1 ZINC000392809189 387291180 /nfs/dbraw/zinc/29/11/80/387291180.db2.gz ABLUNKKPYQBLAK-AWEZNQCLSA-N 0 0 233.355 3.789 20 0 BHADRN CC(C)c1ccc(N[C@@H]2CCOC2(C)C)cc1 ZINC000392809194 387291096 /nfs/dbraw/zinc/29/10/96/387291096.db2.gz ABLUNKKPYQBLAK-CQSZACIVSA-N 0 0 233.355 3.789 20 0 BHADRN CCCc1ccc(N[C@H]2CCOC2(C)C)cc1 ZINC000392814028 711151760 /nfs/dbraw/zinc/15/17/60/711151760.db2.gz KKYBQGVMKSAIJA-AWEZNQCLSA-N 0 0 233.355 3.619 20 0 BHADRN CCCc1ccc(N[C@@H]2CCOC2(C)C)cc1 ZINC000392814031 711151646 /nfs/dbraw/zinc/15/16/46/711151646.db2.gz KKYBQGVMKSAIJA-CQSZACIVSA-N 0 0 233.355 3.619 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H](C)C2)CC1 ZINC000392851234 387293042 /nfs/dbraw/zinc/29/30/42/387293042.db2.gz DJQOUCYDNJZAPY-AAVRWANBSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@H]2CC[C@@H](C)C2)CC1 ZINC000392851236 387293911 /nfs/dbraw/zinc/29/39/11/387293911.db2.gz DJQOUCYDNJZAPY-SYQHCUMBSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@@H]2CC[C@H](C)C2)CC1 ZINC000392851239 259477605 /nfs/dbraw/zinc/47/76/05/259477605.db2.gz DJQOUCYDNJZAPY-XDQVBPFNSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@H]2CC[C@H](C)C2)CC1 ZINC000392851242 259477646 /nfs/dbraw/zinc/47/76/46/259477646.db2.gz DJQOUCYDNJZAPY-XUXIUFHCSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@]1(CNc2cccc(F)c2)CCCS1 ZINC000392892611 350168300 /nfs/dbraw/zinc/16/83/00/350168300.db2.gz OIFWALCNYBHFGO-GFCCVEGCSA-N 0 0 225.332 3.523 20 0 BHADRN C[C@@]1(CNc2cccc(F)c2)CCCS1 ZINC000392892613 350168062 /nfs/dbraw/zinc/16/80/62/350168062.db2.gz OIFWALCNYBHFGO-LBPRGKRZSA-N 0 0 225.332 3.523 20 0 BHADRN CCc1ccc(N[C@H]2CCOC2(C)C)cc1C ZINC000392934153 387302730 /nfs/dbraw/zinc/30/27/30/387302730.db2.gz VRSWCHHXVODQIP-AWEZNQCLSA-N 0 0 233.355 3.537 20 0 BHADRN CCc1ccc(N[C@@H]2CCOC2(C)C)cc1C ZINC000392934159 387302743 /nfs/dbraw/zinc/30/27/43/387302743.db2.gz VRSWCHHXVODQIP-CQSZACIVSA-N 0 0 233.355 3.537 20 0 BHADRN FC1(F)CCCC[C@@H]1CNc1ccccc1 ZINC000393079832 410294714 /nfs/dbraw/zinc/29/47/14/410294714.db2.gz GGTZWHQVNPQCCW-LLVKDONJSA-N 0 0 225.282 3.924 20 0 BHADRN FC1(F)CCCC[C@H]1CNc1ccccc1 ZINC000393079836 410294276 /nfs/dbraw/zinc/29/42/76/410294276.db2.gz GGTZWHQVNPQCCW-NSHDSACASA-N 0 0 225.282 3.924 20 0 BHADRN Cc1ccccc1NC[C@@]1(C)CCCS1 ZINC000393090522 490164104 /nfs/dbraw/zinc/16/41/04/490164104.db2.gz LFIBOIVAHSBRGT-CYBMUJFWSA-N 0 0 221.369 3.693 20 0 BHADRN Cc1ccccc1NC[C@]1(C)CCCS1 ZINC000393090523 487564526 /nfs/dbraw/zinc/56/45/26/487564526.db2.gz LFIBOIVAHSBRGT-ZDUSSCGKSA-N 0 0 221.369 3.693 20 0 BHADRN Cc1cccc(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000393154475 357277626 /nfs/dbraw/zinc/27/76/26/357277626.db2.gz PIOVBQLOPDVXLF-YUTCNCBUSA-N 0 0 201.313 3.596 20 0 BHADRN CCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)s1 ZINC000393181411 387860768 /nfs/dbraw/zinc/86/07/68/387860768.db2.gz LSERYOZFCJBMJD-HGNGGELXSA-N 0 0 245.338 3.615 20 0 BHADRN CCc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)s1 ZINC000393181416 387860461 /nfs/dbraw/zinc/86/04/61/387860461.db2.gz LSERYOZFCJBMJD-JEZHCXPESA-N 0 0 245.338 3.615 20 0 BHADRN CCc1ccc([C@@H](C)NCC(C)(F)F)s1 ZINC000393219397 488087156 /nfs/dbraw/zinc/08/71/56/488087156.db2.gz OHQASYWKCCWROM-MRVPVSSYSA-N 0 0 233.327 3.616 20 0 BHADRN CCc1ccc([C@H](C)NCC(C)(F)F)s1 ZINC000393219399 488087721 /nfs/dbraw/zinc/08/77/21/488087721.db2.gz OHQASYWKCCWROM-QMMMGPOBSA-N 0 0 233.327 3.616 20 0 BHADRN CCC(C)(C)C[NH2+]Cc1cccc(O)c1Cl ZINC000393221471 387874995 /nfs/dbraw/zinc/87/49/95/387874995.db2.gz CBDOPSDXHOIXNP-UHFFFAOYSA-N 0 0 241.762 3.571 20 0 BHADRN Cc1ccc(NCc2cccc(O)c2Cl)cc1 ZINC000393245997 387886106 /nfs/dbraw/zinc/88/61/06/387886106.db2.gz OMFNJZSINGUCKB-UHFFFAOYSA-N 0 0 247.725 3.966 20 0 BHADRN Cc1csc(C(=O)Nc2cc(C)cc(F)c2)c1 ZINC000393254595 357279408 /nfs/dbraw/zinc/27/94/08/357279408.db2.gz DNSPDUHKUDHMPS-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN CO[C@@H](CNc1cccc(C)c1)c1ccccc1 ZINC000393279762 357280560 /nfs/dbraw/zinc/28/05/60/357280560.db2.gz FWEXYVJEBRMYSK-INIZCTEOSA-N 0 0 241.334 3.795 20 0 BHADRN CO[C@H](CNc1cccc(C)c1)c1ccccc1 ZINC000393279763 357280536 /nfs/dbraw/zinc/28/05/36/357280536.db2.gz FWEXYVJEBRMYSK-MRXNPFEDSA-N 0 0 241.334 3.795 20 0 BHADRN Cc1csc(C(=O)NC(C)(C)C(C)(C)C)c1 ZINC000393291800 410674211 /nfs/dbraw/zinc/67/42/11/410674211.db2.gz AMXRWMZFLYABKZ-UHFFFAOYSA-N 0 0 239.384 3.611 20 0 BHADRN Cl/C=C(\Cl)Cn1cnc(Cl)c1Cl ZINC000393315654 711156108 /nfs/dbraw/zinc/15/61/08/711156108.db2.gz NJZSMAMHBYKEEP-RJRFIUFISA-N 0 0 245.924 3.509 20 0 BHADRN CC[C@H](C)CS[C@@H](C)C(F)(F)F ZINC000393331783 259493734 /nfs/dbraw/zinc/49/37/34/259493734.db2.gz LPUXNGWYFOIAFQ-BQBZGAKWSA-N 0 0 200.269 3.717 20 0 BHADRN CC[C@H](C)CS[C@H](C)C(F)(F)F ZINC000393331785 387301534 /nfs/dbraw/zinc/30/15/34/387301534.db2.gz LPUXNGWYFOIAFQ-NKWVEPMBSA-N 0 0 200.269 3.717 20 0 BHADRN CC[C@@H](C)CS[C@H](C)C(F)(F)F ZINC000393331788 259353186 /nfs/dbraw/zinc/35/31/86/259353186.db2.gz LPUXNGWYFOIAFQ-RNFRBKRXSA-N 0 0 200.269 3.717 20 0 BHADRN CC[C@@H](C)CS[C@@H](C)C(F)(F)F ZINC000393331790 259353127 /nfs/dbraw/zinc/35/31/27/259353127.db2.gz LPUXNGWYFOIAFQ-RQJHMYQMSA-N 0 0 200.269 3.717 20 0 BHADRN c1cc2c(ccnc2NCC2(C3CC3)CCC2)o1 ZINC000393351417 388703430 /nfs/dbraw/zinc/70/34/30/388703430.db2.gz VWFNGBPVELJTOP-UHFFFAOYSA-N 0 0 242.322 3.820 20 0 BHADRN O=Cc1cccc(OCCCCCF)c1Cl ZINC000393354179 711157190 /nfs/dbraw/zinc/15/71/90/711157190.db2.gz MPPXZMMUPXUKHQ-UHFFFAOYSA-N 0 0 244.693 3.671 20 0 BHADRN CSCCSCC1CCCCC1 ZINC000393365822 711157942 /nfs/dbraw/zinc/15/79/42/711157942.db2.gz DMFMQVOSKRPIEV-UHFFFAOYSA-N 0 0 204.404 3.663 20 0 BHADRN CC(C)SCCSCCCCF ZINC000393368208 711156981 /nfs/dbraw/zinc/15/69/81/711156981.db2.gz INTKLGBPQGHKSV-UHFFFAOYSA-N 0 0 210.383 3.611 20 0 BHADRN CCN(C(=O)c1cc(C)cs1)c1ccccc1 ZINC000393373924 357307871 /nfs/dbraw/zinc/30/78/71/357307871.db2.gz QRMDCORMEDASQH-UHFFFAOYSA-N 0 0 245.347 3.723 20 0 BHADRN c1cc2ccncc2c(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000393378268 384198290 /nfs/dbraw/zinc/19/82/90/384198290.db2.gz NTLMPZAZZQMZJH-GUTXKFCHSA-N 0 0 238.334 3.835 20 0 BHADRN Cc1csc(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000393384346 323028174 /nfs/dbraw/zinc/02/81/74/323028174.db2.gz XKMAISAYJTVWPU-UHFFFAOYSA-N 0 0 245.347 3.926 20 0 BHADRN CSC1(CNc2ccc(C#N)cc2C)CCC1 ZINC000393414457 711159487 /nfs/dbraw/zinc/15/94/87/711159487.db2.gz HQHSXFRWQDYXFQ-UHFFFAOYSA-N 0 0 246.379 3.564 20 0 BHADRN c1nc2ccc(N[C@H]3CCC[C@H]4C[C@H]43)cc2s1 ZINC000393419543 357308307 /nfs/dbraw/zinc/30/83/07/357308307.db2.gz HYPWVUQBBOWTTN-WCQGTBRESA-N 0 0 244.363 3.897 20 0 BHADRN CCSCSCCSC(C)(C)C ZINC000393422550 711870518 /nfs/dbraw/zinc/87/05/18/711870518.db2.gz DMXYBJZJWOQZGH-UHFFFAOYSA-N 0 0 224.460 3.962 20 0 BHADRN CO[C@@H](COc1cccc(F)c1)c1ccccc1 ZINC000393437228 357309475 /nfs/dbraw/zinc/30/94/75/357309475.db2.gz QLEDDUGRSZTOBT-HNNXBMFYSA-N 0 0 246.281 3.592 20 0 BHADRN CO[C@H](COc1cccc(F)c1)c1ccccc1 ZINC000393437232 357309119 /nfs/dbraw/zinc/30/91/19/357309119.db2.gz QLEDDUGRSZTOBT-OAHLLOKOSA-N 0 0 246.281 3.592 20 0 BHADRN CSCSCc1ccc(Cl)cc1 ZINC000393450358 711158906 /nfs/dbraw/zinc/15/89/06/711158906.db2.gz DYVBFLBGTISJMQ-UHFFFAOYSA-N 0 0 218.774 3.894 20 0 BHADRN CC(F)(F)CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000393453836 357310492 /nfs/dbraw/zinc/31/04/92/357310492.db2.gz YSHIZEFYSDANKY-LLVKDONJSA-N 0 0 245.700 3.572 20 0 BHADRN CC(F)(F)CN[C@H]1CCc2ccc(Cl)cc21 ZINC000393453837 357310235 /nfs/dbraw/zinc/31/02/35/357310235.db2.gz YSHIZEFYSDANKY-NSHDSACASA-N 0 0 245.700 3.572 20 0 BHADRN CSCSC[C@H](C)c1ccccc1 ZINC000393458690 711160381 /nfs/dbraw/zinc/16/03/81/711160381.db2.gz KPWBFSDAAYPZLQ-JTQLQIEISA-N 0 0 212.383 3.844 20 0 BHADRN CSCSC[C@@H](C)c1ccccc1 ZINC000393458692 711159542 /nfs/dbraw/zinc/15/95/42/711159542.db2.gz KPWBFSDAAYPZLQ-SNVBAGLBSA-N 0 0 212.383 3.844 20 0 BHADRN F[C@H]1CCC[C@H]1Nc1ncc(Cl)cc1Cl ZINC000393461893 487662097 /nfs/dbraw/zinc/66/20/97/487662097.db2.gz BJHUBGWARQBILW-DTWKUNHWSA-N 0 0 249.116 3.691 20 0 BHADRN CCc1ccc(NC(=O)c2cc(C)cs2)cc1 ZINC000393466293 357311611 /nfs/dbraw/zinc/31/16/11/357311611.db2.gz YNYXDFWVFLSQJD-UHFFFAOYSA-N 0 0 245.347 3.871 20 0 BHADRN CSc1ccc([C@@H](C)NCC(C)(F)F)cc1 ZINC000393478346 357311380 /nfs/dbraw/zinc/31/13/80/357311380.db2.gz PWPIVOPPZRFPRS-SECBINFHSA-N 0 0 245.338 3.714 20 0 BHADRN CSc1ccc([C@H](C)NCC(C)(F)F)cc1 ZINC000393478347 357311324 /nfs/dbraw/zinc/31/13/24/357311324.db2.gz PWPIVOPPZRFPRS-VIFPVBQESA-N 0 0 245.338 3.714 20 0 BHADRN C[C@H](Nc1ccc(Cl)cc1)[C@]1(C)CCCO1 ZINC000393479085 357311481 /nfs/dbraw/zinc/31/14/81/357311481.db2.gz PZCZQHURFNEQMT-GWCFXTLKSA-N 0 0 239.746 3.710 20 0 BHADRN C[C@H](Nc1ccc(Cl)cc1)[C@@]1(C)CCCO1 ZINC000393479086 357310905 /nfs/dbraw/zinc/31/09/05/357310905.db2.gz PZCZQHURFNEQMT-GXFFZTMASA-N 0 0 239.746 3.710 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)[C@]1(C)CCCO1 ZINC000393479087 357311402 /nfs/dbraw/zinc/31/14/02/357311402.db2.gz PZCZQHURFNEQMT-MFKMUULPSA-N 0 0 239.746 3.710 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)[C@@]1(C)CCCO1 ZINC000393479088 357311548 /nfs/dbraw/zinc/31/15/48/357311548.db2.gz PZCZQHURFNEQMT-ZWNOBZJWSA-N 0 0 239.746 3.710 20 0 BHADRN CCOCSCc1cccc(Cl)c1 ZINC000393491584 711160729 /nfs/dbraw/zinc/16/07/29/711160729.db2.gz ZVPOJJCWCRRGHA-UHFFFAOYSA-N 0 0 216.733 3.567 20 0 BHADRN CCc1ccc(COc2cccc(C)c2F)nc1 ZINC000393495448 357285218 /nfs/dbraw/zinc/28/52/18/357285218.db2.gz JFBPUGZXGIUWKS-UHFFFAOYSA-N 0 0 245.297 3.671 20 0 BHADRN Cc1cccc(N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000393506181 487575744 /nfs/dbraw/zinc/57/57/44/487575744.db2.gz PIOVBQLOPDVXLF-XBFCOCLRSA-N 0 0 201.313 3.596 20 0 BHADRN CC(F)(F)CNCc1ccc(C(C)(C)C)s1 ZINC000393508159 259704914 /nfs/dbraw/zinc/70/49/14/259704914.db2.gz YDPANSSEPGLBCQ-UHFFFAOYSA-N 0 0 247.354 3.790 20 0 BHADRN CCOc1ccc(N[C@@H](C)C2CCC2)cc1F ZINC000393518034 711161861 /nfs/dbraw/zinc/16/18/61/711161861.db2.gz OJOTYQFUNVLIQW-JTQLQIEISA-N 0 0 237.318 3.825 20 0 BHADRN CCOc1ccc(N[C@H](C)C2CCC2)cc1F ZINC000393518035 711162074 /nfs/dbraw/zinc/16/20/74/711162074.db2.gz OJOTYQFUNVLIQW-SNVBAGLBSA-N 0 0 237.318 3.825 20 0 BHADRN Cc1ccc(C)c([C@@H](C)NCC(C)(F)F)c1 ZINC000393519467 357286605 /nfs/dbraw/zinc/28/66/05/357286605.db2.gz NSRVCAVMXCISJL-LLVKDONJSA-N 0 0 227.298 3.609 20 0 BHADRN Cc1ccc(C)c([C@H](C)NCC(C)(F)F)c1 ZINC000393519469 357286639 /nfs/dbraw/zinc/28/66/39/357286639.db2.gz NSRVCAVMXCISJL-NSHDSACASA-N 0 0 227.298 3.609 20 0 BHADRN Cc1ccc([C@@H](C)NCC(C)(F)F)cc1C ZINC000393532844 259324809 /nfs/dbraw/zinc/32/48/09/259324809.db2.gz YPBXREBIXBTUIH-LLVKDONJSA-N 0 0 227.298 3.609 20 0 BHADRN Cc1ccc([C@H](C)NCC(C)(F)F)cc1C ZINC000393532846 388433215 /nfs/dbraw/zinc/43/32/15/388433215.db2.gz YPBXREBIXBTUIH-NSHDSACASA-N 0 0 227.298 3.609 20 0 BHADRN Cc1csc(C(=O)NCCC2=CCCCC2)c1 ZINC000393539069 411233089 /nfs/dbraw/zinc/23/30/89/411233089.db2.gz ZHKQKTIZNOAZGM-UHFFFAOYSA-N 0 0 249.379 3.677 20 0 BHADRN FCCCSc1ccc(F)c(Cl)c1 ZINC000393549541 259706091 /nfs/dbraw/zinc/70/60/91/259706091.db2.gz AUXVHOYMXNSAQK-UHFFFAOYSA-N 0 0 222.687 3.931 20 0 BHADRN CCCSCc1cc(F)ccc1F ZINC000393551535 259334888 /nfs/dbraw/zinc/33/48/88/259334888.db2.gz SLBUBEUTRFTQIN-UHFFFAOYSA-N 0 0 202.269 3.608 20 0 BHADRN CCCN(C)Cc1csc(Cl)c1Cl ZINC000393556143 259345093 /nfs/dbraw/zinc/34/50/93/259345093.db2.gz NZLQIHCRJBNTRE-UHFFFAOYSA-N 0 0 238.183 3.897 20 0 BHADRN CC[C@@H](NCC(C)(F)F)c1ccccc1F ZINC000393558270 357287542 /nfs/dbraw/zinc/28/75/42/357287542.db2.gz MVIWMAZTKUUYGO-LLVKDONJSA-N 0 0 231.261 3.522 20 0 BHADRN CC[C@H](NCC(C)(F)F)c1ccccc1F ZINC000393558271 357287430 /nfs/dbraw/zinc/28/74/30/357287430.db2.gz MVIWMAZTKUUYGO-NSHDSACASA-N 0 0 231.261 3.522 20 0 BHADRN CCCC[C@H](C)N(C)C/C(Cl)=C/Cl ZINC000393579689 711164548 /nfs/dbraw/zinc/16/45/48/711164548.db2.gz CXNZBNKAPFLWBR-CBFJXKFUSA-N 0 0 224.175 3.816 20 0 BHADRN CCCC[C@H](C)N(C)C/C(Cl)=C\Cl ZINC000393579692 711164613 /nfs/dbraw/zinc/16/46/13/711164613.db2.gz CXNZBNKAPFLWBR-HZAKCSEPSA-N 0 0 224.175 3.816 20 0 BHADRN CCCC[C@@H](C)N(C)C/C(Cl)=C/Cl ZINC000393579695 711577699 /nfs/dbraw/zinc/57/76/99/711577699.db2.gz CXNZBNKAPFLWBR-SBMLRHLQSA-N 0 0 224.175 3.816 20 0 BHADRN CCCC[C@@H](C)N(C)C/C(Cl)=C\Cl ZINC000393579697 711627839 /nfs/dbraw/zinc/62/78/39/711627839.db2.gz CXNZBNKAPFLWBR-YIXGCBLDSA-N 0 0 224.175 3.816 20 0 BHADRN CCSCCSc1cccs1 ZINC000393592566 711165385 /nfs/dbraw/zinc/16/53/85/711165385.db2.gz ZXKMHNBWUSGYGQ-UHFFFAOYSA-N 0 0 204.385 3.593 20 0 BHADRN C[C@@H](Nc1cccc2cccnc21)C1CCC1 ZINC000393594030 357288149 /nfs/dbraw/zinc/28/81/49/357288149.db2.gz BMNOMEIWRLRBCT-LLVKDONJSA-N 0 0 226.323 3.835 20 0 BHADRN C[C@H](Nc1cccc2cccnc21)C1CCC1 ZINC000393594031 357288663 /nfs/dbraw/zinc/28/86/63/357288663.db2.gz BMNOMEIWRLRBCT-NSHDSACASA-N 0 0 226.323 3.835 20 0 BHADRN CC(F)(F)CCNc1nccc2sccc21 ZINC000393596833 410753336 /nfs/dbraw/zinc/75/33/36/410753336.db2.gz JJBWTCFVEFHKIV-UHFFFAOYSA-N 0 0 242.294 3.754 20 0 BHADRN CC[C@@H](F)CNc1cccc(Cl)c1OC ZINC000393608817 259707443 /nfs/dbraw/zinc/70/74/43/259707443.db2.gz RJOHYUZILWNKCS-MRVPVSSYSA-N 0 0 231.698 3.509 20 0 BHADRN CC[C@H](F)CNc1cccc(Cl)c1OC ZINC000393608818 388435229 /nfs/dbraw/zinc/43/52/29/388435229.db2.gz RJOHYUZILWNKCS-QMMMGPOBSA-N 0 0 231.698 3.509 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccc(C2CC2)cc1 ZINC000393612321 711165307 /nfs/dbraw/zinc/16/53/07/711165307.db2.gz DUNYMMMEQKGYLJ-HZMBPMFUSA-N 0 0 201.313 3.774 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccc(C2CC2)cc1 ZINC000393612323 711165366 /nfs/dbraw/zinc/16/53/66/711165366.db2.gz DUNYMMMEQKGYLJ-IINYFYTJSA-N 0 0 201.313 3.774 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc(C2CC2)cc1 ZINC000393612326 711165840 /nfs/dbraw/zinc/16/58/40/711165840.db2.gz DUNYMMMEQKGYLJ-QMTHXVAHSA-N 0 0 201.313 3.774 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc(C2CC2)cc1 ZINC000393612330 711165932 /nfs/dbraw/zinc/16/59/32/711165932.db2.gz DUNYMMMEQKGYLJ-YGRLFVJLSA-N 0 0 201.313 3.774 20 0 BHADRN c1cc2ccc(NC3CCCC3)cc2o1 ZINC000393612557 346444437 /nfs/dbraw/zinc/44/44/37/346444437.db2.gz GAFUGERRTJXQEN-UHFFFAOYSA-N 0 0 201.269 3.787 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000393612890 343900546 /nfs/dbraw/zinc/90/05/46/343900546.db2.gz ZZCJZOKQALSCCR-MRVPVSSYSA-N 0 0 228.317 3.503 20 0 BHADRN CC(C)C[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000393612893 343900641 /nfs/dbraw/zinc/90/06/41/343900641.db2.gz ZZCJZOKQALSCCR-QMMMGPOBSA-N 0 0 228.317 3.503 20 0 BHADRN CCc1ccc(NC[C@H](F)CC)cc1C ZINC000393614439 346452299 /nfs/dbraw/zinc/45/22/99/346452299.db2.gz VHDDJTBXWOLJEI-GFCCVEGCSA-N 0 0 209.308 3.717 20 0 BHADRN CCc1ccc(NC[C@@H](F)CC)cc1C ZINC000393614440 259361524 /nfs/dbraw/zinc/36/15/24/259361524.db2.gz VHDDJTBXWOLJEI-LBPRGKRZSA-N 0 0 209.308 3.717 20 0 BHADRN FC1(CNCc2cccc(Cl)c2Cl)CC1 ZINC000393618578 357290184 /nfs/dbraw/zinc/29/01/84/357290184.db2.gz JRJLXSVACANOQZ-UHFFFAOYSA-N 0 0 248.128 3.585 20 0 BHADRN COc1c(Cl)cccc1NCCC1CC1 ZINC000393619045 631933907 /nfs/dbraw/zinc/93/39/07/631933907.db2.gz KFCPVPNSDZRBKT-UHFFFAOYSA-N 0 0 225.719 3.561 20 0 BHADRN FC(F)C1CC(Nc2cccc(Cl)c2)C1 ZINC000393620567 711166738 /nfs/dbraw/zinc/16/67/38/711166738.db2.gz FIQKQMUAPBDMNF-UHFFFAOYSA-N 0 0 231.673 3.796 20 0 BHADRN CC1(CNc2ccc3ncsc3c2)CC1 ZINC000393624481 357290803 /nfs/dbraw/zinc/29/08/03/357290803.db2.gz RCFQDNYBQUQAEJ-UHFFFAOYSA-N 0 0 218.325 3.508 20 0 BHADRN COc1cc(Cl)c(NC/C=C\Cl)cc1C ZINC000393625442 711166432 /nfs/dbraw/zinc/16/64/32/711166432.db2.gz ANHIKNRKIZDVTN-ARJAWSKDSA-N 0 0 246.137 3.821 20 0 BHADRN COc1cc(Cl)c(NC/C=C/Cl)cc1C ZINC000393625443 711166942 /nfs/dbraw/zinc/16/69/42/711166942.db2.gz ANHIKNRKIZDVTN-ONEGZZNKSA-N 0 0 246.137 3.821 20 0 BHADRN CC(C)CSCCNc1ccnc(Cl)c1 ZINC000393626296 711166888 /nfs/dbraw/zinc/16/68/88/711166888.db2.gz YPFZUTRKKLNUDN-UHFFFAOYSA-N 0 0 244.791 3.536 20 0 BHADRN Clc1cscc1CNCc1ccsc1 ZINC000393658399 711168480 /nfs/dbraw/zinc/16/84/80/711168480.db2.gz ONXHYAPZLCTQOP-UHFFFAOYSA-N 0 0 243.784 3.753 20 0 BHADRN CC(C)CCCNc1ccc(Cl)nc1 ZINC000393685864 711676000 /nfs/dbraw/zinc/67/60/00/711676000.db2.gz BAMQHWVBIVMFIJ-UHFFFAOYSA-N 0 0 212.724 3.583 20 0 BHADRN Cc1ccc(Cl)c(NCCCCF)c1 ZINC000393686157 259482418 /nfs/dbraw/zinc/48/24/18/259482418.db2.gz BSSVEADQWYBBEX-UHFFFAOYSA-N 0 0 215.699 3.810 20 0 BHADRN COC[C@@H](C)S[C@@H](C)c1cccs1 ZINC000393714643 711870675 /nfs/dbraw/zinc/87/06/75/711870675.db2.gz JTPZOZDQJAXHTQ-BDAKNGLRSA-N 0 0 216.371 3.577 20 0 BHADRN COC[C@H](C)S[C@H](C)c1cccs1 ZINC000393714644 711170568 /nfs/dbraw/zinc/17/05/68/711170568.db2.gz JTPZOZDQJAXHTQ-DTWKUNHWSA-N 0 0 216.371 3.577 20 0 BHADRN COC[C@H](C)S[C@@H](C)c1cccs1 ZINC000393714645 711170978 /nfs/dbraw/zinc/17/09/78/711170978.db2.gz JTPZOZDQJAXHTQ-IUCAKERBSA-N 0 0 216.371 3.577 20 0 BHADRN COC[C@@H](C)S[C@H](C)c1cccs1 ZINC000393714646 711170827 /nfs/dbraw/zinc/17/08/27/711170827.db2.gz JTPZOZDQJAXHTQ-RKDXNWHRSA-N 0 0 216.371 3.577 20 0 BHADRN Cc1nc(SCCC(C)C)sc1C ZINC000393715863 711170737 /nfs/dbraw/zinc/17/07/37/711170737.db2.gz QKPKTHWDGNCEMM-UHFFFAOYSA-N 0 0 215.387 3.898 20 0 BHADRN CCSCCSc1ccc(F)cc1 ZINC000393717305 711170639 /nfs/dbraw/zinc/17/06/39/711170639.db2.gz YZLRZEJIRXETCN-UHFFFAOYSA-N 0 0 216.346 3.671 20 0 BHADRN CCSCCSC[C@@H](C)C(F)(F)F ZINC000393723634 711676759 /nfs/dbraw/zinc/67/67/59/711676759.db2.gz NOKUXFDQEPBSIM-SSDOTTSWSA-N 0 0 232.336 3.671 20 0 BHADRN CCSCCSC[C@H](C)C(F)(F)F ZINC000393725405 711676790 /nfs/dbraw/zinc/67/67/90/711676790.db2.gz NOKUXFDQEPBSIM-ZETCQYMHSA-N 0 0 232.336 3.671 20 0 BHADRN CCC(C)(C)c1csc(C(C)(C)OC)n1 ZINC000393736977 388439884 /nfs/dbraw/zinc/43/98/84/388439884.db2.gz XLASFHKSKAHREO-UHFFFAOYSA-N 0 0 227.373 3.712 20 0 BHADRN CC/C=C/CCNc1ccc(OC)cc1C ZINC000393740442 710672355 /nfs/dbraw/zinc/67/23/55/710672355.db2.gz DSCOVMQBDMVVCZ-AATRIKPKSA-N 0 0 219.328 3.772 20 0 BHADRN CC/C=C\CCNc1ccc(OC)cc1C ZINC000393740450 710672374 /nfs/dbraw/zinc/67/23/74/710672374.db2.gz DSCOVMQBDMVVCZ-WAYWQWQTSA-N 0 0 219.328 3.772 20 0 BHADRN CSc1ccncc1N[C@@H](C)CCC1CC1 ZINC000393742336 582921457 /nfs/dbraw/zinc/92/14/57/582921457.db2.gz IEXHPXSTRDFXFR-JTQLQIEISA-N 0 0 236.384 3.794 20 0 BHADRN CSc1ccncc1N[C@H](C)CCC1CC1 ZINC000393742337 582921849 /nfs/dbraw/zinc/92/18/49/582921849.db2.gz IEXHPXSTRDFXFR-SNVBAGLBSA-N 0 0 236.384 3.794 20 0 BHADRN C[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000393744156 343922568 /nfs/dbraw/zinc/92/25/68/343922568.db2.gz HYFZUUNOHKXEKP-BDAKNGLRSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000393744157 343922516 /nfs/dbraw/zinc/92/25/16/343922516.db2.gz HYFZUUNOHKXEKP-DTWKUNHWSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000393744158 343922661 /nfs/dbraw/zinc/92/26/61/343922661.db2.gz HYFZUUNOHKXEKP-IUCAKERBSA-N 0 0 240.328 3.504 20 0 BHADRN C[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000393744160 343922699 /nfs/dbraw/zinc/92/26/99/343922699.db2.gz HYFZUUNOHKXEKP-RKDXNWHRSA-N 0 0 240.328 3.504 20 0 BHADRN CC(C)(C)CCNc1cc(CO)ccc1Cl ZINC000393746636 259468247 /nfs/dbraw/zinc/46/82/47/259468247.db2.gz MZMALFFTDSJTBF-UHFFFAOYSA-N 0 0 241.762 3.680 20 0 BHADRN COCC(C)(C)CNc1cc(F)cc(Cl)c1 ZINC000393751711 323379097 /nfs/dbraw/zinc/37/90/97/323379097.db2.gz PCAMIXDDYHVWQA-UHFFFAOYSA-N 0 0 245.725 3.564 20 0 BHADRN Cc1ccnc(N[C@H]2CC[C@H]2C(C)(C)C)c1 ZINC000393752816 259471231 /nfs/dbraw/zinc/47/12/31/259471231.db2.gz TYNYQXCVCVFNEZ-NEPJUHHUSA-N 0 0 218.344 3.627 20 0 BHADRN Cc1ccnc(N[C@@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000393752821 387066945 /nfs/dbraw/zinc/06/69/45/387066945.db2.gz TYNYQXCVCVFNEZ-NWDGAFQWSA-N 0 0 218.344 3.627 20 0 BHADRN Cc1ccnc(N[C@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000393752824 387067253 /nfs/dbraw/zinc/06/72/53/387067253.db2.gz TYNYQXCVCVFNEZ-RYUDHWBXSA-N 0 0 218.344 3.627 20 0 BHADRN CCOc1cccc(N[C@H](C)C2CCC2)c1 ZINC000393752962 387062748 /nfs/dbraw/zinc/06/27/48/387062748.db2.gz UFGVMQJPTJCGJO-LLVKDONJSA-N 0 0 219.328 3.686 20 0 BHADRN CCOc1cccc(N[C@@H](C)C2CCC2)c1 ZINC000393752965 259471236 /nfs/dbraw/zinc/47/12/36/259471236.db2.gz UFGVMQJPTJCGJO-NSHDSACASA-N 0 0 219.328 3.686 20 0 BHADRN FCCCCCNc1ccc2scnc2c1 ZINC000393753019 387081865 /nfs/dbraw/zinc/08/18/65/387081865.db2.gz UGJYQMBIGCWCDJ-UHFFFAOYSA-N 0 0 238.331 3.848 20 0 BHADRN CSC1(CNc2cc(C)cc(C)c2)CC1 ZINC000393754887 388441161 /nfs/dbraw/zinc/44/11/61/388441161.db2.gz ZXOOUSCFZARGSJ-UHFFFAOYSA-N 0 0 221.369 3.611 20 0 BHADRN Cc1cccc(NCCCCCF)c1F ZINC000393755495 387104663 /nfs/dbraw/zinc/10/46/63/387104663.db2.gz FNCZXXVDCRJOHZ-UHFFFAOYSA-N 0 0 213.271 3.686 20 0 BHADRN C[C@H](CCC(C)(C)C)NC1(C(F)F)CC1 ZINC000393757820 323028892 /nfs/dbraw/zinc/02/88/92/323028892.db2.gz HTSLAIZOUQNLTG-SECBINFHSA-N 0 0 219.319 3.589 20 0 BHADRN C[C@@H](CCC(C)(C)C)NC1(C(F)F)CC1 ZINC000393757821 259472851 /nfs/dbraw/zinc/47/28/51/259472851.db2.gz HTSLAIZOUQNLTG-VIFPVBQESA-N 0 0 219.319 3.589 20 0 BHADRN CC(C)(C)CCCNc1ccsc1[N+](=O)[O-] ZINC000393758250 343923680 /nfs/dbraw/zinc/92/36/80/343923680.db2.gz AZLNJEHSSDOELQ-UHFFFAOYSA-N 0 0 242.344 3.895 20 0 BHADRN CCSCc1ccnc(NCC2(C)CC2)c1 ZINC000393760031 357296356 /nfs/dbraw/zinc/29/63/56/357296356.db2.gz VSXBVPGMVITSFB-UHFFFAOYSA-N 0 0 236.384 3.547 20 0 BHADRN FC(F)C(F)(F)COc1ccccc1Cl ZINC000393761724 711677392 /nfs/dbraw/zinc/67/73/92/711677392.db2.gz MQJFVWVMGXZCTL-UHFFFAOYSA-N 0 0 242.599 3.619 20 0 BHADRN c1sc(NC2CCCC2)nc1C1CCCC1 ZINC000393768000 387280936 /nfs/dbraw/zinc/28/09/36/387280936.db2.gz QZJXDOFSAPOLDF-UHFFFAOYSA-N 0 0 236.384 3.577 20 0 BHADRN CSCCc1ccc(N[C@@H]2CC[C@H]2C)cc1 ZINC000393771614 711173745 /nfs/dbraw/zinc/17/37/45/711173745.db2.gz JQXGKTJHPCZBEX-BXUZGUMPSA-N 0 0 235.396 3.803 20 0 BHADRN CSCCc1ccc(N[C@H]2CC[C@@H]2C)cc1 ZINC000393771616 711173813 /nfs/dbraw/zinc/17/38/13/711173813.db2.gz JQXGKTJHPCZBEX-FZMZJTMJSA-N 0 0 235.396 3.803 20 0 BHADRN CSCCc1ccc(N[C@H]2CC[C@H]2C)cc1 ZINC000393771618 710673376 /nfs/dbraw/zinc/67/33/76/710673376.db2.gz JQXGKTJHPCZBEX-RISCZKNCSA-N 0 0 235.396 3.803 20 0 BHADRN CSCCc1ccc(N[C@@H]2CC[C@@H]2C)cc1 ZINC000393771621 710674050 /nfs/dbraw/zinc/67/40/50/710674050.db2.gz JQXGKTJHPCZBEX-SMDDNHRTSA-N 0 0 235.396 3.803 20 0 BHADRN COc1cccc(C)c1NCC1CCCC1 ZINC000393771949 387295696 /nfs/dbraw/zinc/29/56/96/387295696.db2.gz GVKPBMNTQNNZJU-UHFFFAOYSA-N 0 0 219.328 3.606 20 0 BHADRN Cc1cccc(OCCSC(C)C)c1F ZINC000393776279 357808477 /nfs/dbraw/zinc/80/84/77/357808477.db2.gz MTFCUJZTHRAORK-UHFFFAOYSA-N 0 0 228.332 3.655 20 0 BHADRN CCC(=O)c1cccc(NCC=C(C)C)c1 ZINC000393777758 259482072 /nfs/dbraw/zinc/48/20/72/259482072.db2.gz GXVSBRBRTWKCPG-UHFFFAOYSA-N 0 0 217.312 3.657 20 0 BHADRN CC(C)=CCNc1cccc2ccn(C)c21 ZINC000393778392 262813982 /nfs/dbraw/zinc/81/39/82/262813982.db2.gz HQFWKQSXAZVENX-UHFFFAOYSA-N 0 0 214.312 3.556 20 0 BHADRN Cc1cc(C)cc(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000393778807 632995700 /nfs/dbraw/zinc/99/57/00/632995700.db2.gz MNEBGSIEWYZXHR-CABCVRRESA-N 0 0 215.340 3.904 20 0 BHADRN Cc1cc(C)cc(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000393778809 632997165 /nfs/dbraw/zinc/99/71/65/632997165.db2.gz MNEBGSIEWYZXHR-GJZGRUSLSA-N 0 0 215.340 3.904 20 0 BHADRN Cc1cc(C)cc(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000393778811 632997960 /nfs/dbraw/zinc/99/79/60/632997960.db2.gz MNEBGSIEWYZXHR-HUUCEWRRSA-N 0 0 215.340 3.904 20 0 BHADRN Cc1cc(C)cc(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000393778813 632995939 /nfs/dbraw/zinc/99/59/39/632995939.db2.gz MNEBGSIEWYZXHR-LSDHHAIUSA-N 0 0 215.340 3.904 20 0 BHADRN COc1c(C)ccc(NCC=C(C)C)c1C ZINC000393782729 262814986 /nfs/dbraw/zinc/81/49/86/262814986.db2.gz UHEJYTVMPPZNAA-UHFFFAOYSA-N 0 0 219.328 3.690 20 0 BHADRN CC1(C)SC[C@H]1Nc1nccc2ccccc21 ZINC000393783063 371526096 /nfs/dbraw/zinc/52/60/96/371526096.db2.gz REZGGMUQZCLIEJ-GFCCVEGCSA-N 0 0 244.363 3.541 20 0 BHADRN CC1(C)SC[C@@H]1Nc1nccc2ccccc21 ZINC000393783064 371526300 /nfs/dbraw/zinc/52/63/00/371526300.db2.gz REZGGMUQZCLIEJ-LBPRGKRZSA-N 0 0 244.363 3.541 20 0 BHADRN CC1(C)CCC[C@H](CNC2(C(F)F)CC2)C1 ZINC000393785877 371526692 /nfs/dbraw/zinc/52/66/92/371526692.db2.gz USAAICGDUWZKDP-JTQLQIEISA-N 0 0 231.330 3.590 20 0 BHADRN CC1(C)CCC[C@@H](CNC2(C(F)F)CC2)C1 ZINC000393786198 359265419 /nfs/dbraw/zinc/26/54/19/359265419.db2.gz USAAICGDUWZKDP-SNVBAGLBSA-N 0 0 231.330 3.590 20 0 BHADRN CC1(C)CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000393791471 350921675 /nfs/dbraw/zinc/92/16/75/350921675.db2.gz ZLLCWGDYZHQIRL-MRVPVSSYSA-N 0 0 240.328 3.647 20 0 BHADRN CC1(C)CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000393791472 350921769 /nfs/dbraw/zinc/92/17/69/350921769.db2.gz ZLLCWGDYZHQIRL-QMMMGPOBSA-N 0 0 240.328 3.647 20 0 BHADRN CC(C)=CCNc1ccc(C(C)=O)c(C)c1 ZINC000393794661 388442692 /nfs/dbraw/zinc/44/26/92/388442692.db2.gz OFXZKDYTDWUNFE-UHFFFAOYSA-N 0 0 217.312 3.576 20 0 BHADRN Cc1nc2cc(NC[C@H]3C[C@H]3C)ccc2s1 ZINC000393796593 710722383 /nfs/dbraw/zinc/72/23/83/710722383.db2.gz KMMQKWRULRCFPT-PSASIEDQSA-N 0 0 232.352 3.673 20 0 BHADRN Cc1nc2cc(NC[C@@H]3C[C@H]3C)ccc2s1 ZINC000393796594 710722707 /nfs/dbraw/zinc/72/27/07/710722707.db2.gz KMMQKWRULRCFPT-SCZZXKLOSA-N 0 0 232.352 3.673 20 0 BHADRN Cc1nc2cc(NC[C@H]3C[C@@H]3C)ccc2s1 ZINC000393796595 710722765 /nfs/dbraw/zinc/72/27/65/710722765.db2.gz KMMQKWRULRCFPT-WCBMZHEXSA-N 0 0 232.352 3.673 20 0 BHADRN Cc1nc2cc(NC[C@@H]3C[C@@H]3C)ccc2s1 ZINC000393796596 710722256 /nfs/dbraw/zinc/72/22/56/710722256.db2.gz KMMQKWRULRCFPT-WPRPVWTQSA-N 0 0 232.352 3.673 20 0 BHADRN Cc1cc(CNc2ccccc2)cc(Cl)n1 ZINC000393798988 710753022 /nfs/dbraw/zinc/75/30/22/710753022.db2.gz NIODTNCXFNLDAK-UHFFFAOYSA-N 0 0 232.714 3.656 20 0 BHADRN CCOc1ccc(NCC2(C)CCC2)cc1 ZINC000393799379 711174667 /nfs/dbraw/zinc/17/46/67/711174667.db2.gz KYJXRAVYLFUVLI-UHFFFAOYSA-N 0 0 219.328 3.687 20 0 BHADRN Clc1ccc(NC2CCC3(CC3)CC2)cn1 ZINC000393802601 711175158 /nfs/dbraw/zinc/17/51/58/711175158.db2.gz NTHWZKDKQHEDGL-UHFFFAOYSA-N 0 0 236.746 3.870 20 0 BHADRN CCC1CC(Nc2cccc3cc[nH]c32)C1 ZINC000393807254 357301071 /nfs/dbraw/zinc/30/10/71/357301071.db2.gz YFHGSZQBXOSZMV-UHFFFAOYSA-N 0 0 214.312 3.768 20 0 BHADRN CC(C)=CCNc1ccccc1OC(C)C ZINC000393811839 259390454 /nfs/dbraw/zinc/39/04/54/259390454.db2.gz XAUQPEXYFBRXQR-UHFFFAOYSA-N 0 0 219.328 3.852 20 0 BHADRN Cc1cccc(OCCCCCF)c1F ZINC000393829129 259395703 /nfs/dbraw/zinc/39/57/03/259395703.db2.gz TZYZQXJAIYMGQU-UHFFFAOYSA-N 0 0 214.255 3.653 20 0 BHADRN Cc1ccccc1COc1ccc(F)cc1F ZINC000393832415 388443900 /nfs/dbraw/zinc/44/39/00/388443900.db2.gz KWMDVNXHZXVOCI-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN Cc1cc(CNc2cccc(C(C)C)c2)on1 ZINC000393846470 343992252 /nfs/dbraw/zinc/99/22/52/343992252.db2.gz QHXBGFGKZQDSMG-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN Cc1ncsc1CCOc1ccc(C)c(C)c1 ZINC000393871471 388445112 /nfs/dbraw/zinc/44/51/12/388445112.db2.gz YXFSBRFCYBFUCJ-UHFFFAOYSA-N 0 0 247.363 3.690 20 0 BHADRN CCCC1(C(=O)NCC(C(C)C)C(C)C)CC1 ZINC000393887830 350174530 /nfs/dbraw/zinc/17/45/30/350174530.db2.gz VVWQDCFUGFVLNK-UHFFFAOYSA-N 0 0 239.403 3.611 20 0 BHADRN CCSCCS[C@@H]1CC[C@@H](C)C1 ZINC000393908708 711178467 /nfs/dbraw/zinc/17/84/67/711178467.db2.gz QNEXRWPNAKAOQD-NXEZZACHSA-N 0 0 204.404 3.661 20 0 BHADRN CCSCCS[C@H]1CC[C@H](C)C1 ZINC000393908709 711178343 /nfs/dbraw/zinc/17/83/43/711178343.db2.gz QNEXRWPNAKAOQD-UWVGGRQHSA-N 0 0 204.404 3.661 20 0 BHADRN CCSCCS[C@@H]1CC[C@H](C)C1 ZINC000393908710 711178032 /nfs/dbraw/zinc/17/80/32/711178032.db2.gz QNEXRWPNAKAOQD-VHSXEESVSA-N 0 0 204.404 3.661 20 0 BHADRN CCSCCS[C@H]1CC[C@@H](C)C1 ZINC000393908761 711178248 /nfs/dbraw/zinc/17/82/48/711178248.db2.gz QNEXRWPNAKAOQD-ZJUUUORDSA-N 0 0 204.404 3.661 20 0 BHADRN CCSCOc1ccc(Cl)c(F)c1 ZINC000393912034 711178723 /nfs/dbraw/zinc/17/87/23/711178723.db2.gz CZASIRHEFLWGEG-UHFFFAOYSA-N 0 0 220.696 3.569 20 0 BHADRN CC(C)c1nc([C@@H](C)NCC(C)(F)F)cs1 ZINC000393913403 410769180 /nfs/dbraw/zinc/76/91/80/410769180.db2.gz FHIGLHNDAQJBHS-MRVPVSSYSA-N 0 0 248.342 3.572 20 0 BHADRN CC(C)c1nc([C@H](C)NCC(C)(F)F)cs1 ZINC000393913405 410768204 /nfs/dbraw/zinc/76/82/04/410768204.db2.gz FHIGLHNDAQJBHS-QMMMGPOBSA-N 0 0 248.342 3.572 20 0 BHADRN CSCSCc1ccc(C)c(C)c1 ZINC000393915136 711179506 /nfs/dbraw/zinc/17/95/06/711179506.db2.gz HGFYESRWMWFORZ-UHFFFAOYSA-N 0 0 212.383 3.857 20 0 BHADRN CCSCSc1ccc(F)cc1F ZINC000393918164 711179640 /nfs/dbraw/zinc/17/96/40/711179640.db2.gz ZZXWOURPJZANDJ-UHFFFAOYSA-N 0 0 220.309 3.768 20 0 BHADRN Cc1cc([C@@H](C)NCC(C)(F)F)c(C)s1 ZINC000393921369 357307103 /nfs/dbraw/zinc/30/71/03/357307103.db2.gz JMAVJQFFVIQEOC-MRVPVSSYSA-N 0 0 233.327 3.671 20 0 BHADRN Cc1cc([C@H](C)NCC(C)(F)F)c(C)s1 ZINC000393921374 357306961 /nfs/dbraw/zinc/30/69/61/357306961.db2.gz JMAVJQFFVIQEOC-QMMMGPOBSA-N 0 0 233.327 3.671 20 0 BHADRN CSCSC(C)(C)c1ccccc1 ZINC000393922212 711179291 /nfs/dbraw/zinc/17/92/91/711179291.db2.gz LGRKKRWVXTXABP-UHFFFAOYSA-N 0 0 212.383 3.975 20 0 BHADRN CCSCSc1nc(C)c(C)s1 ZINC000393929604 711870800 /nfs/dbraw/zinc/87/08/00/711870800.db2.gz LNRBBYYVVTYVBL-UHFFFAOYSA-N 0 0 219.400 3.563 20 0 BHADRN Cc1ccc2[nH]c(-c3ccc(O)cc3)nc2c1C ZINC000393984959 357314258 /nfs/dbraw/zinc/31/42/58/357314258.db2.gz FBYXUMCOFMVNCK-UHFFFAOYSA-N 0 0 238.290 3.552 20 0 BHADRN CCC(=O)Nc1ccc(NCCCC(C)C)cc1 ZINC000394014542 357315396 /nfs/dbraw/zinc/31/53/96/357315396.db2.gz DHVRMEVZDFYVET-UHFFFAOYSA-N 0 0 248.370 3.883 20 0 BHADRN CC(=O)Nc1ccc(NCCCC(C)C)cc1C ZINC000394048831 711182954 /nfs/dbraw/zinc/18/29/54/711182954.db2.gz NWMFSFGDWKKVLU-UHFFFAOYSA-N 0 0 248.370 3.802 20 0 BHADRN CO[C@@H](COc1ccc(F)cc1)c1ccccc1 ZINC000394053910 357319511 /nfs/dbraw/zinc/31/95/11/357319511.db2.gz ATYVPELFBHVTON-HNNXBMFYSA-N 0 0 246.281 3.592 20 0 BHADRN CO[C@H](COc1ccc(F)cc1)c1ccccc1 ZINC000394053911 357319599 /nfs/dbraw/zinc/31/95/99/357319599.db2.gz ATYVPELFBHVTON-OAHLLOKOSA-N 0 0 246.281 3.592 20 0 BHADRN CC(C)CCCNc1ccc(F)c([N+](=O)[O-])c1 ZINC000394059963 710840249 /nfs/dbraw/zinc/84/02/49/710840249.db2.gz WQPNBCMRGOJLRI-UHFFFAOYSA-N 0 0 240.278 3.582 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc(-c3cnco3)c2)[C@@H]1C ZINC000394063111 259329200 /nfs/dbraw/zinc/32/92/00/259329200.db2.gz CJDKXPFOAYQGIW-GYSYKLTISA-N 0 0 242.322 3.798 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc(-c3cnco3)c2)[C@@H]1C ZINC000394063112 259329181 /nfs/dbraw/zinc/32/91/81/259329181.db2.gz CJDKXPFOAYQGIW-JTNHKYCSSA-N 0 0 242.322 3.798 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc(-c3cnco3)c2)[C@H]1C ZINC000394063113 259328990 /nfs/dbraw/zinc/32/89/90/259328990.db2.gz CJDKXPFOAYQGIW-SUNKGSAMSA-N 0 0 242.322 3.798 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc(-c3cnco3)c2)[C@H]1C ZINC000394063114 259329231 /nfs/dbraw/zinc/32/92/31/259329231.db2.gz CJDKXPFOAYQGIW-UHIISALHSA-N 0 0 242.322 3.798 20 0 BHADRN Cc1nc2cc(NCCCC(C)C)ccc2o1 ZINC000394092936 357323373 /nfs/dbraw/zinc/32/33/73/357323373.db2.gz PEJLZZGXWGQDSF-UHFFFAOYSA-N 0 0 232.327 3.984 20 0 BHADRN CCc1cc(NCCC2CCOCC2)ccc1C ZINC000394109904 342804570 /nfs/dbraw/zinc/80/45/70/342804570.db2.gz ILVNAHWROHEGPR-UHFFFAOYSA-N 0 0 247.382 3.786 20 0 BHADRN CCc1ccc(NC2CCC(OC)CC2)cc1C ZINC000394147900 342951874 /nfs/dbraw/zinc/95/18/74/342951874.db2.gz BPAJDGIGKVLZAK-UHFFFAOYSA-N 0 0 247.382 3.927 20 0 BHADRN COc1ccc(N[C@@H]2CC3CCC2CC3)cc1 ZINC000394217625 711684327 /nfs/dbraw/zinc/68/43/27/711684327.db2.gz FMECTCJABQZEMZ-KOHJWAIASA-N 0 0 231.339 3.686 20 0 BHADRN COc1ccc(N[C@H]2CC3CCC2CC3)cc1 ZINC000394217627 711188744 /nfs/dbraw/zinc/18/87/44/711188744.db2.gz FMECTCJABQZEMZ-QOZQQMKHSA-N 0 0 231.339 3.686 20 0 BHADRN COc1cc(F)ccc1N[C@H]1CC2CCC1CC2 ZINC000394335968 711190723 /nfs/dbraw/zinc/19/07/23/711190723.db2.gz XCUOCTBWEILLJE-MGULZYLOSA-N 0 0 249.329 3.825 20 0 BHADRN COc1cc(F)ccc1N[C@@H]1CC2CCC1CC2 ZINC000394335974 711190161 /nfs/dbraw/zinc/19/01/61/711190161.db2.gz XCUOCTBWEILLJE-QIMFLAQGSA-N 0 0 249.329 3.825 20 0 BHADRN Fc1cccc(N[C@@H]2CC3CCC2CC3)c1 ZINC000394336878 711190259 /nfs/dbraw/zinc/19/02/59/711190259.db2.gz YNHLLGBAWOQRIP-QIMFLAQGSA-N 0 0 219.303 3.816 20 0 BHADRN FC(F)(F)CSCC1CCCCC1 ZINC000394382883 259352368 /nfs/dbraw/zinc/35/23/68/259352368.db2.gz SCWVTGZBMHTNPN-UHFFFAOYSA-N 0 0 212.280 3.862 20 0 BHADRN CC[C@H](C)CC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000394394684 344955090 /nfs/dbraw/zinc/95/50/90/344955090.db2.gz DBGVBMWLAXCSOB-ONGXEEELSA-N 0 0 226.389 3.538 20 0 BHADRN Cc1cc(CNc2cc(F)cc(C#N)c2)cs1 ZINC000394473273 490047717 /nfs/dbraw/zinc/04/77/17/490047717.db2.gz NVIWUPLFPHFQNA-UHFFFAOYSA-N 0 0 246.310 3.679 20 0 BHADRN CC(=O)Nc1ccc(C)c(NCCCC2CC2)c1 ZINC000394492203 711193596 /nfs/dbraw/zinc/19/35/96/711193596.db2.gz ZQCYHLGOXXVCDS-UHFFFAOYSA-N 0 0 246.354 3.556 20 0 BHADRN Cc1ccc(F)c(OC[C@@H]2CCCC2(F)F)c1 ZINC000394501257 323073883 /nfs/dbraw/zinc/07/38/83/323073883.db2.gz QNBSICAXZUSLBH-JTQLQIEISA-N 0 0 244.256 3.948 20 0 BHADRN Cc1ccc(F)c(OC[C@H]2CCCC2(F)F)c1 ZINC000394501259 323073899 /nfs/dbraw/zinc/07/38/99/323073899.db2.gz QNBSICAXZUSLBH-SNVBAGLBSA-N 0 0 244.256 3.948 20 0 BHADRN Cc1ccccc1OC[C@H]1CCCC1(F)F ZINC000394505002 259360783 /nfs/dbraw/zinc/36/07/83/259360783.db2.gz UOMHSFRCKYESDP-LLVKDONJSA-N 0 0 226.266 3.809 20 0 BHADRN Cc1ccccc1OC[C@@H]1CCCC1(F)F ZINC000394505003 259360840 /nfs/dbraw/zinc/36/08/40/259360840.db2.gz UOMHSFRCKYESDP-NSHDSACASA-N 0 0 226.266 3.809 20 0 BHADRN CC[C@H]1CCC[C@H](CNc2cccc(CO)c2)C1 ZINC000394509555 259361189 /nfs/dbraw/zinc/36/11/89/259361189.db2.gz JEQXEAWVOPYBEW-KBPBESRZSA-N 0 0 247.382 3.807 20 0 BHADRN CC[C@@H]1CCC[C@H](CNc2cccc(CO)c2)C1 ZINC000394509563 259361190 /nfs/dbraw/zinc/36/11/90/259361190.db2.gz JEQXEAWVOPYBEW-KGLIPLIRSA-N 0 0 247.382 3.807 20 0 BHADRN CC[C@H]1CCC[C@@H](CNc2cccc(CO)c2)C1 ZINC000394509567 259361210 /nfs/dbraw/zinc/36/12/10/259361210.db2.gz JEQXEAWVOPYBEW-UONOGXRCSA-N 0 0 247.382 3.807 20 0 BHADRN CC[C@@H]1CCC[C@@H](CNc2cccc(CO)c2)C1 ZINC000394509569 259361205 /nfs/dbraw/zinc/36/12/05/259361205.db2.gz JEQXEAWVOPYBEW-ZIAGYGMSSA-N 0 0 247.382 3.807 20 0 BHADRN CC(C)c1nccn1C[C@H]1CCCCC1(F)F ZINC000394510400 259361220 /nfs/dbraw/zinc/36/12/20/259361220.db2.gz YSHZXYHYDJRXMC-LLVKDONJSA-N 0 0 242.313 3.832 20 0 BHADRN CC(C)c1nccn1C[C@@H]1CCCCC1(F)F ZINC000394510402 259361182 /nfs/dbraw/zinc/36/11/82/259361182.db2.gz YSHZXYHYDJRXMC-NSHDSACASA-N 0 0 242.313 3.832 20 0 BHADRN Oc1cccc(SC[C@H]2CCCC2(F)F)c1 ZINC000394512674 259362318 /nfs/dbraw/zinc/36/23/18/259362318.db2.gz BCJRNDKJTLGBLA-SECBINFHSA-N 0 0 244.306 3.920 20 0 BHADRN Oc1cccc(SC[C@@H]2CCCC2(F)F)c1 ZINC000394512675 259362328 /nfs/dbraw/zinc/36/23/28/259362328.db2.gz BCJRNDKJTLGBLA-VIFPVBQESA-N 0 0 244.306 3.920 20 0 BHADRN CCn1cc(NCCC2CCCCCC2)cn1 ZINC000394521353 357363813 /nfs/dbraw/zinc/36/38/13/357363813.db2.gz BCFFHZYTTMZVHD-UHFFFAOYSA-N 0 0 235.375 3.675 20 0 BHADRN CC(=O)Nc1cc(NCCCC2CC2)ccc1C ZINC000394541959 711193594 /nfs/dbraw/zinc/19/35/94/711193594.db2.gz YLEJXFSTZCYGJD-UHFFFAOYSA-N 0 0 246.354 3.556 20 0 BHADRN Cc1cc([C@@H](C)Nc2ccc(C)nc2)cs1 ZINC000394549505 259366189 /nfs/dbraw/zinc/36/61/89/259366189.db2.gz HHLQHPMDMAVNML-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cc([C@H](C)Nc2ccc(C)nc2)cs1 ZINC000394549507 259366285 /nfs/dbraw/zinc/36/62/85/259366285.db2.gz HHLQHPMDMAVNML-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN CC[C@@H](C)C[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000394556734 342805781 /nfs/dbraw/zinc/80/57/81/342805781.db2.gz FTUSYLURIZBKFD-BDAKNGLRSA-N 0 0 242.344 3.893 20 0 BHADRN CC[C@H](C)C[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000394556736 342805799 /nfs/dbraw/zinc/80/57/99/342805799.db2.gz FTUSYLURIZBKFD-DTWKUNHWSA-N 0 0 242.344 3.893 20 0 BHADRN CC[C@H](C)C[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000394556738 342805912 /nfs/dbraw/zinc/80/59/12/342805912.db2.gz FTUSYLURIZBKFD-IUCAKERBSA-N 0 0 242.344 3.893 20 0 BHADRN CC[C@@H](C)C[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000394556740 342805773 /nfs/dbraw/zinc/80/57/73/342805773.db2.gz FTUSYLURIZBKFD-RKDXNWHRSA-N 0 0 242.344 3.893 20 0 BHADRN CCc1csc(NC2(CC)CCCC2)n1 ZINC000394574496 711195075 /nfs/dbraw/zinc/19/50/75/711195075.db2.gz UATTZMYASAQTBF-UHFFFAOYSA-N 0 0 224.373 3.840 20 0 BHADRN CC1(CNc2cccc(CO)c2)CCCCCC1 ZINC000394587876 323082283 /nfs/dbraw/zinc/08/22/83/323082283.db2.gz GYSMYEFQQJGTLM-UHFFFAOYSA-N 0 0 247.382 3.951 20 0 BHADRN OCc1cccc(NCCC2CCCCCC2)c1 ZINC000394606429 357367812 /nfs/dbraw/zinc/36/78/12/357367812.db2.gz GDKALJAKMBISQL-UHFFFAOYSA-N 0 0 247.382 3.951 20 0 BHADRN OCc1ccccc1NCCC1CCCCCC1 ZINC000394653160 342812319 /nfs/dbraw/zinc/81/23/19/342812319.db2.gz ZUAZTHMCRVNOOG-UHFFFAOYSA-N 0 0 247.382 3.951 20 0 BHADRN CCC1(Nc2ncnc3ccccc32)CCCC1 ZINC000394666399 410817085 /nfs/dbraw/zinc/81/70/85/410817085.db2.gz PYLMRTRHPQPTIW-UHFFFAOYSA-N 0 0 241.338 3.765 20 0 BHADRN Fc1ccc(Cl)cc1NCC1CC(F)(F)C1 ZINC000394737085 323096594 /nfs/dbraw/zinc/09/65/94/323096594.db2.gz OKPGLSWAKNYNQM-UHFFFAOYSA-N 0 0 249.663 3.936 20 0 BHADRN COCc1ccc(N[C@H]2CCCC23CCC3)cc1 ZINC000394754670 711197692 /nfs/dbraw/zinc/19/76/92/711197692.db2.gz AIWFEGOBSQWZJM-HNNXBMFYSA-N 0 0 245.366 3.968 20 0 BHADRN COCc1ccc(N[C@@H]2CCCC23CCC3)cc1 ZINC000394754909 711196900 /nfs/dbraw/zinc/19/69/00/711196900.db2.gz AIWFEGOBSQWZJM-OAHLLOKOSA-N 0 0 245.366 3.968 20 0 BHADRN Cc1cncc(N[C@@H]2CCCC23CCC3)c1 ZINC000394757690 323107861 /nfs/dbraw/zinc/10/78/61/323107861.db2.gz CAEAKNHTDWZIOJ-CYBMUJFWSA-N 0 0 216.328 3.525 20 0 BHADRN Cc1cncc(N[C@H]2CCCC23CCC3)c1 ZINC000394757691 323107806 /nfs/dbraw/zinc/10/78/06/323107806.db2.gz CAEAKNHTDWZIOJ-ZDUSSCGKSA-N 0 0 216.328 3.525 20 0 BHADRN Cc1cccc(OCC2CC(F)(F)C2)c1F ZINC000394761350 323108143 /nfs/dbraw/zinc/10/81/43/323108143.db2.gz FRHLPEBWWFHSMV-UHFFFAOYSA-N 0 0 230.229 3.558 20 0 BHADRN Cc1cc(OCC2CC(F)(F)C2)ccc1F ZINC000394768687 323108441 /nfs/dbraw/zinc/10/84/41/323108441.db2.gz KRCVWUNKABIGAA-UHFFFAOYSA-N 0 0 230.229 3.558 20 0 BHADRN COCc1cccc(N[C@H]2CCCC23CCC3)c1 ZINC000394769713 323108524 /nfs/dbraw/zinc/10/85/24/323108524.db2.gz LAASJZJEZXEQAH-HNNXBMFYSA-N 0 0 245.366 3.968 20 0 BHADRN COCc1cccc(N[C@@H]2CCCC23CCC3)c1 ZINC000394769716 323108548 /nfs/dbraw/zinc/10/85/48/323108548.db2.gz LAASJZJEZXEQAH-OAHLLOKOSA-N 0 0 245.366 3.968 20 0 BHADRN CC(C)n1cc(NC[C@H]2CCCC[C@H]2C)cn1 ZINC000394783805 357378338 /nfs/dbraw/zinc/37/83/38/357378338.db2.gz IKAAFZFFRNZEOW-CHWSQXEVSA-N 0 0 235.375 3.702 20 0 BHADRN CC(C)n1cc(NC[C@@H]2CCCC[C@H]2C)cn1 ZINC000394783809 357378266 /nfs/dbraw/zinc/37/82/66/357378266.db2.gz IKAAFZFFRNZEOW-OLZOCXBDSA-N 0 0 235.375 3.702 20 0 BHADRN CC(C)n1cc(NC[C@H]2CCCC[C@@H]2C)cn1 ZINC000394783812 357378340 /nfs/dbraw/zinc/37/83/40/357378340.db2.gz IKAAFZFFRNZEOW-QWHCGFSZSA-N 0 0 235.375 3.702 20 0 BHADRN CC(C)n1cc(NC[C@@H]2CCCC[C@@H]2C)cn1 ZINC000394783813 357378375 /nfs/dbraw/zinc/37/83/75/357378375.db2.gz IKAAFZFFRNZEOW-STQMWFEESA-N 0 0 235.375 3.702 20 0 BHADRN c1ccc(N[C@@H]2CCCC23CCC3)cc1 ZINC000394785730 386407405 /nfs/dbraw/zinc/40/74/05/386407405.db2.gz KDXKEBSXIQJOIS-CYBMUJFWSA-N 0 0 201.313 3.821 20 0 BHADRN c1ccc(N[C@H]2CCCC23CCC3)cc1 ZINC000394785734 386408221 /nfs/dbraw/zinc/40/82/21/386408221.db2.gz KDXKEBSXIQJOIS-ZDUSSCGKSA-N 0 0 201.313 3.821 20 0 BHADRN FC1(F)CC(COc2cnc3ccccc3c2)C1 ZINC000394793136 262748067 /nfs/dbraw/zinc/74/80/67/262748067.db2.gz XYOWQRQNNYCYSC-UHFFFAOYSA-N 0 0 249.260 3.659 20 0 BHADRN Cc1ccc(N[C@@H]2CCCC23CCC3)cn1 ZINC000394800797 386424792 /nfs/dbraw/zinc/42/47/92/386424792.db2.gz FDXRFVNNAJCZEE-CYBMUJFWSA-N 0 0 216.328 3.525 20 0 BHADRN Cc1ccc(N[C@H]2CCCC23CCC3)cn1 ZINC000394800798 386424242 /nfs/dbraw/zinc/42/42/42/386424242.db2.gz FDXRFVNNAJCZEE-ZDUSSCGKSA-N 0 0 216.328 3.525 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H]1CCCC12CCC2 ZINC000394821222 384889084 /nfs/dbraw/zinc/88/90/84/384889084.db2.gz UDFVEZHGADRCJH-CYBMUJFWSA-N 0 0 247.386 3.678 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H]1CCCC12CCC2 ZINC000394821224 384889284 /nfs/dbraw/zinc/88/92/84/384889284.db2.gz UDFVEZHGADRCJH-ZDUSSCGKSA-N 0 0 247.386 3.678 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CNc1ccc2c(c1)COC2 ZINC000394853458 357383518 /nfs/dbraw/zinc/38/35/18/357383518.db2.gz JPBREVGFYNZGNH-CHWSQXEVSA-N 0 0 245.366 3.955 20 0 BHADRN C[C@@H]1CCCC[C@H]1CNc1ccc2c(c1)COC2 ZINC000394853459 357383278 /nfs/dbraw/zinc/38/32/78/357383278.db2.gz JPBREVGFYNZGNH-OLZOCXBDSA-N 0 0 245.366 3.955 20 0 BHADRN C[C@H]1CCCC[C@@H]1CNc1ccc2c(c1)COC2 ZINC000394853461 357383442 /nfs/dbraw/zinc/38/34/42/357383442.db2.gz JPBREVGFYNZGNH-QWHCGFSZSA-N 0 0 245.366 3.955 20 0 BHADRN C[C@H]1CCCC[C@H]1CNc1ccc2c(c1)COC2 ZINC000394853462 357383503 /nfs/dbraw/zinc/38/35/03/357383503.db2.gz JPBREVGFYNZGNH-STQMWFEESA-N 0 0 245.366 3.955 20 0 BHADRN Cc1cccc(F)c1NCC1CC(F)(F)C1 ZINC000394886216 323152635 /nfs/dbraw/zinc/15/26/35/323152635.db2.gz QJPGMHLPXPWSFB-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN Cc1ccc(NCC2CC(F)(F)C2)c(F)c1 ZINC000394894587 386576012 /nfs/dbraw/zinc/57/60/12/386576012.db2.gz ZDAZWRAJNWWLSU-UHFFFAOYSA-N 0 0 229.245 3.591 20 0 BHADRN CCC(=O)CCCSc1nc(CC)cs1 ZINC000394917672 711690913 /nfs/dbraw/zinc/69/09/13/711690913.db2.gz DNKMYPFCPNECBS-UHFFFAOYSA-N 0 0 243.397 3.557 20 0 BHADRN c1cc2c(cc1N[C@H]1CCC[C@H]3C[C@H]31)CCCO2 ZINC000394935796 711199506 /nfs/dbraw/zinc/19/95/06/711199506.db2.gz YOLZTAXGIGNKES-GLQYFDAESA-N 0 0 243.350 3.612 20 0 BHADRN CC(C)c1cccc(N[C@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000394962727 386761127 /nfs/dbraw/zinc/76/11/27/386761127.db2.gz OFZODTFNSSAHDL-JMSVASOKSA-N 0 0 233.355 3.788 20 0 BHADRN CC(C)c1cccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000394962730 262758810 /nfs/dbraw/zinc/75/88/10/262758810.db2.gz OFZODTFNSSAHDL-LALPHHSUSA-N 0 0 233.355 3.788 20 0 BHADRN CC(C)c1cccc(N[C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000394962731 386760893 /nfs/dbraw/zinc/76/08/93/386760893.db2.gz OFZODTFNSSAHDL-TYNCELHUSA-N 0 0 233.355 3.788 20 0 BHADRN CC(C)c1cccc(N[C@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000394962734 386761024 /nfs/dbraw/zinc/76/10/24/386761024.db2.gz OFZODTFNSSAHDL-XUJVJEKNSA-N 0 0 233.355 3.788 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc3ccccc32)[C@H](C)O1 ZINC000394983594 323184934 /nfs/dbraw/zinc/18/49/34/323184934.db2.gz XREYQSVEVNJKPX-BFQNTYOBSA-N 0 0 241.334 3.818 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc3ccccc32)[C@@H](C)O1 ZINC000394983595 323184940 /nfs/dbraw/zinc/18/49/40/323184940.db2.gz XREYQSVEVNJKPX-HSMVNMDESA-N 0 0 241.334 3.818 20 0 BHADRN C[C@@H]1C[C@H](Nc2cccc3ccccc32)[C@H](C)O1 ZINC000394983600 323184986 /nfs/dbraw/zinc/18/49/86/323184986.db2.gz XREYQSVEVNJKPX-WQGACYEGSA-N 0 0 241.334 3.818 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cccc3ccccc32)[C@@H](C)O1 ZINC000394983601 323184990 /nfs/dbraw/zinc/18/49/90/323184990.db2.gz XREYQSVEVNJKPX-XHBSWPGZSA-N 0 0 241.334 3.818 20 0 BHADRN C[C@H](COc1cccnc1Cl)c1ccccc1 ZINC000395044734 711200858 /nfs/dbraw/zinc/20/08/58/711200858.db2.gz OLUZVKDRSXBYLR-LLVKDONJSA-N 0 0 247.725 3.918 20 0 BHADRN C[C@@H](COc1cccnc1Cl)c1ccccc1 ZINC000395044745 711201382 /nfs/dbraw/zinc/20/13/82/711201382.db2.gz OLUZVKDRSXBYLR-NSHDSACASA-N 0 0 247.725 3.918 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCCO2)C1CCC1 ZINC000395059576 711201278 /nfs/dbraw/zinc/20/12/78/711201278.db2.gz RBBKVYVLBBPVDO-LLVKDONJSA-N 0 0 231.339 3.612 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCCO2)C1CCC1 ZINC000395059583 711200973 /nfs/dbraw/zinc/20/09/73/711200973.db2.gz RBBKVYVLBBPVDO-NSHDSACASA-N 0 0 231.339 3.612 20 0 BHADRN C[C@H](CCC(C)(C)C)NC(=O)c1ccccc1 ZINC000395083629 386850487 /nfs/dbraw/zinc/85/04/87/386850487.db2.gz QBQUFCQGTUDSGA-GFCCVEGCSA-N 0 0 233.355 3.631 20 0 BHADRN C[C@@H](CCC(C)(C)C)NC(=O)c1ccccc1 ZINC000395083631 386848597 /nfs/dbraw/zinc/84/85/97/386848597.db2.gz QBQUFCQGTUDSGA-LBPRGKRZSA-N 0 0 233.355 3.631 20 0 BHADRN Cc1ccc(NCC2CC(F)(F)C2)c(C)c1 ZINC000395099322 262764658 /nfs/dbraw/zinc/76/46/58/262764658.db2.gz ZRBVPMPXKVPUPZ-UHFFFAOYSA-N 0 0 225.282 3.761 20 0 BHADRN CCC(CC)(CC)CNc1cccc(CO)c1 ZINC000395121824 323187920 /nfs/dbraw/zinc/18/79/20/323187920.db2.gz KYPFJBNPFYJLPY-UHFFFAOYSA-N 0 0 235.371 3.807 20 0 BHADRN CCC(CC)c1noc(-c2cc(N)ccc2C)n1 ZINC000395128736 711203273 /nfs/dbraw/zinc/20/32/73/711203273.db2.gz DQSFLYHTYGRWHK-UHFFFAOYSA-N 0 0 245.326 3.531 20 0 BHADRN CCc1nn(C)cc1NCC(CC)(CC)CC ZINC000395130802 357409830 /nfs/dbraw/zinc/40/98/30/357409830.db2.gz RFFDONNPYZYCFP-UHFFFAOYSA-N 0 0 237.391 3.611 20 0 BHADRN CCC(CC)c1noc(CNc2ccccc2)n1 ZINC000395131223 711204022 /nfs/dbraw/zinc/20/40/22/711204022.db2.gz FVRRYDAKJPAVDH-UHFFFAOYSA-N 0 0 245.326 3.585 20 0 BHADRN OCc1cccc(NCCCC2CCCCC2)c1 ZINC000395136524 357411065 /nfs/dbraw/zinc/41/10/65/357411065.db2.gz AMOCVRZTPKAUOG-UHFFFAOYSA-N 0 0 247.382 3.951 20 0 BHADRN Cc1cncc(NCc2cc(C)cc(Cl)c2)c1 ZINC000395138425 357411094 /nfs/dbraw/zinc/41/10/94/357411094.db2.gz AZXSWJDZNPMZPC-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN CC1(C)CC(Nc2cccc3ncccc32)C1 ZINC000395165659 386953962 /nfs/dbraw/zinc/95/39/62/386953962.db2.gz AEBGJFYDMLHLKI-UHFFFAOYSA-N 0 0 226.323 3.835 20 0 BHADRN CCC(CC)c1noc(-c2ccc(C)c(N)c2)n1 ZINC000395169007 711204438 /nfs/dbraw/zinc/20/44/38/711204438.db2.gz YRDMCDWWSWQYMW-UHFFFAOYSA-N 0 0 245.326 3.531 20 0 BHADRN CCOc1ccc(NC2CC(C)(C)C2)cc1F ZINC000395169302 711203311 /nfs/dbraw/zinc/20/33/11/711203311.db2.gz GMSIRRALDMFMNX-UHFFFAOYSA-N 0 0 237.318 3.825 20 0 BHADRN CC1(C)CC(Nc2ccccc2OC(F)F)C1 ZINC000395171291 262767420 /nfs/dbraw/zinc/76/74/20/262767420.db2.gz HNTPTFGUFWEFOP-UHFFFAOYSA-N 0 0 241.281 3.889 20 0 BHADRN CCn1cc(NCCCC2CCCCC2)cn1 ZINC000395174016 357416061 /nfs/dbraw/zinc/41/60/61/357416061.db2.gz NXPYDDNOMRNENV-UHFFFAOYSA-N 0 0 235.375 3.675 20 0 BHADRN CC1(C)CC(NCC(F)(F)c2ccccc2)C1 ZINC000395177174 357415565 /nfs/dbraw/zinc/41/55/65/357415565.db2.gz LAVUKSCNOVHWIF-UHFFFAOYSA-N 0 0 239.309 3.557 20 0 BHADRN OCc1ccccc1NCCCC1CCCCC1 ZINC000395177809 357416032 /nfs/dbraw/zinc/41/60/32/357416032.db2.gz POYLNNPBPNQDIQ-UHFFFAOYSA-N 0 0 247.382 3.951 20 0 BHADRN CCC(CC)c1noc(-c2cccc(C)c2O)n1 ZINC000395180042 386963438 /nfs/dbraw/zinc/96/34/38/386963438.db2.gz DOTSNEQCTVNOAL-UHFFFAOYSA-N 0 0 246.310 3.654 20 0 BHADRN C[C@@H]([NH2+]C1CC(C)(C)C1)c1cccc(F)c1F ZINC000395192272 386980837 /nfs/dbraw/zinc/98/08/37/386980837.db2.gz YPZHCBMOZOBVJH-SECBINFHSA-N 0 0 239.309 3.804 20 0 BHADRN Cc1cc(Cl)cc(CNc2cnccc2C)c1 ZINC000395192743 262768518 /nfs/dbraw/zinc/76/85/18/262768518.db2.gz ZZROMKVTKZOSKC-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN CC(=O)Nc1ccc(NC2CC(C)(C)C2)cc1C ZINC000395202207 711204945 /nfs/dbraw/zinc/20/49/45/711204945.db2.gz GTHFGXJQGUFLJF-UHFFFAOYSA-N 0 0 246.354 3.554 20 0 BHADRN CC1(C)CC(Nc2cccc(OC(F)F)c2)C1 ZINC000395202924 386985363 /nfs/dbraw/zinc/98/53/63/386985363.db2.gz HJFSJTVPZOBKNB-UHFFFAOYSA-N 0 0 241.281 3.889 20 0 BHADRN CCC(=O)Nc1ccc(NC2CC(C)(C)C2)cc1 ZINC000395209401 323205844 /nfs/dbraw/zinc/20/58/44/323205844.db2.gz LIVXHCSILLVXQR-UHFFFAOYSA-N 0 0 246.354 3.636 20 0 BHADRN CCC(CC)c1noc(-c2cc(C)ccc2O)n1 ZINC000395213847 262784777 /nfs/dbraw/zinc/78/47/77/262784777.db2.gz LMUIXEXEDZUNAX-UHFFFAOYSA-N 0 0 246.310 3.654 20 0 BHADRN CC1(C)CC(Nc2ccc(OC(F)F)cc2)C1 ZINC000395217698 711205472 /nfs/dbraw/zinc/20/54/72/711205472.db2.gz PBLJBZLTDSHWHG-UHFFFAOYSA-N 0 0 241.281 3.889 20 0 BHADRN CC1(C)CC(Nc2ccc3c(c2)OC(C)(C)O3)C1 ZINC000395235548 711206339 /nfs/dbraw/zinc/20/63/39/711206339.db2.gz WNDNFNXHZMPSIX-UHFFFAOYSA-N 0 0 247.338 3.794 20 0 BHADRN CC1(C)CC(Nc2cccc(-c3cc[nH]n3)c2)C1 ZINC000395239828 323222718 /nfs/dbraw/zinc/22/27/18/323222718.db2.gz YFMJJPRIYSUQED-UHFFFAOYSA-N 0 0 241.338 3.677 20 0 BHADRN CCC(CC)(CC)CNc1ccc(CCO)cc1 ZINC000395241866 633837450 /nfs/dbraw/zinc/83/74/50/633837450.db2.gz URJWLRBPZQGYJZ-UHFFFAOYSA-N 0 0 249.398 3.850 20 0 BHADRN CC1(C)CC(Nc2ccc(-c3cnco3)cc2)C1 ZINC000395251988 356105512 /nfs/dbraw/zinc/10/55/12/356105512.db2.gz FFWIGXQKVYMCLZ-UHFFFAOYSA-N 0 0 242.322 3.942 20 0 BHADRN CC1(C)CC(Nc2cccc(-c3cnco3)c2)C1 ZINC000395252909 262785329 /nfs/dbraw/zinc/78/53/29/262785329.db2.gz FUHIUBJSNLGKDU-UHFFFAOYSA-N 0 0 242.322 3.942 20 0 BHADRN CCC(CC)c1noc(-c2ccc(C)c(O)c2)n1 ZINC000395272288 386803945 /nfs/dbraw/zinc/80/39/45/386803945.db2.gz TZNAJMLLVGTNKD-UHFFFAOYSA-N 0 0 246.310 3.654 20 0 BHADRN CSC1(CNc2ccc(C(F)F)cc2)CC1 ZINC000395280070 711207365 /nfs/dbraw/zinc/20/73/65/711207365.db2.gz 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242.318 3.524 20 0 BHADRN CC(C)c1ccc(NCCC2(O)CCC2)cc1 ZINC000396769148 357482547 /nfs/dbraw/zinc/48/25/47/357482547.db2.gz RMYPIKHDNNCCRV-UHFFFAOYSA-N 0 0 233.355 3.527 20 0 BHADRN OC1(CCNc2ccc3ccccc3c2)CCC1 ZINC000396772448 711370269 /nfs/dbraw/zinc/37/02/69/711370269.db2.gz VVZAYLIXSKBZMY-UHFFFAOYSA-N 0 0 241.334 3.557 20 0 BHADRN CC(C)(C)c1ccccc1NCCC1(O)CCC1 ZINC000396773127 357482600 /nfs/dbraw/zinc/48/26/00/357482600.db2.gz WQUUIFNMYZRVOO-UHFFFAOYSA-N 0 0 247.382 3.701 20 0 BHADRN OC1(CCNc2cccc3ccsc32)CCC1 ZINC000396798646 387492542 /nfs/dbraw/zinc/49/25/42/387492542.db2.gz VNDAIUVVKLORAB-UHFFFAOYSA-N 0 0 247.363 3.618 20 0 BHADRN CC1(C)C[C@H](Nc2ccc3ccccc3c2)CO1 ZINC000396827161 711370679 /nfs/dbraw/zinc/37/06/79/711370679.db2.gz CWZHHIHRFSVRSG-HNNXBMFYSA-N 0 0 241.334 3.819 20 0 BHADRN CC1(C)C[C@@H](Nc2ccc3ccccc3c2)CO1 ZINC000396827162 711370069 /nfs/dbraw/zinc/37/00/69/711370069.db2.gz CWZHHIHRFSVRSG-OAHLLOKOSA-N 0 0 241.334 3.819 20 0 BHADRN CCc1cc(N[C@@H]2COC(C)(C)C2)ccc1C ZINC000396834056 323659312 /nfs/dbraw/zinc/65/93/12/323659312.db2.gz VSTXEPRKHCOQAK-AWEZNQCLSA-N 0 0 233.355 3.537 20 0 BHADRN CCc1cc(N[C@H]2COC(C)(C)C2)ccc1C ZINC000396834057 387496411 /nfs/dbraw/zinc/49/64/11/387496411.db2.gz VSTXEPRKHCOQAK-CQSZACIVSA-N 0 0 233.355 3.537 20 0 BHADRN CC1(C)C[C@@H](Nc2cccc3ccccc32)CO1 ZINC000396853228 262824371 /nfs/dbraw/zinc/82/43/71/262824371.db2.gz PSGNVTLXZAZYLB-CYBMUJFWSA-N 0 0 241.334 3.819 20 0 BHADRN CC1(C)C[C@H](Nc2cccc3ccccc32)CO1 ZINC000396853229 262824180 /nfs/dbraw/zinc/82/41/80/262824180.db2.gz PSGNVTLXZAZYLB-ZDUSSCGKSA-N 0 0 241.334 3.819 20 0 BHADRN CC(C)c1cccc(N[C@@H]2COC(C)(C)C2)c1 ZINC000396866339 387508008 /nfs/dbraw/zinc/50/80/08/387508008.db2.gz UXMDFVUYYYAHSX-AWEZNQCLSA-N 0 0 233.355 3.789 20 0 BHADRN CC(C)c1cccc(N[C@H]2COC(C)(C)C2)c1 ZINC000396866340 262824980 /nfs/dbraw/zinc/82/49/80/262824980.db2.gz UXMDFVUYYYAHSX-CQSZACIVSA-N 0 0 233.355 3.789 20 0 BHADRN CC(C)c1ccc(N[C@@H]2COC(C)(C)C2)cc1 ZINC000396866341 262825009 /nfs/dbraw/zinc/82/50/09/262825009.db2.gz UXMZHJYIAPEAGT-AWEZNQCLSA-N 0 0 233.355 3.789 20 0 BHADRN CC(C)c1ccc(N[C@H]2COC(C)(C)C2)cc1 ZINC000396866342 262825011 /nfs/dbraw/zinc/82/50/11/262825011.db2.gz UXMZHJYIAPEAGT-CQSZACIVSA-N 0 0 233.355 3.789 20 0 BHADRN CCc1ccc(N[C@@H]2COC(C)(C)C2)cc1C ZINC000396874165 323660153 /nfs/dbraw/zinc/66/01/53/323660153.db2.gz ZDXKFZQPVXEAKB-AWEZNQCLSA-N 0 0 233.355 3.537 20 0 BHADRN CCc1ccc(N[C@H]2COC(C)(C)C2)cc1C ZINC000396874168 323660412 /nfs/dbraw/zinc/66/04/12/323660412.db2.gz ZDXKFZQPVXEAKB-CQSZACIVSA-N 0 0 233.355 3.537 20 0 BHADRN OC1(CCSc2cccc(Cl)c2)CCC1 ZINC000396903634 387510994 /nfs/dbraw/zinc/51/09/94/387510994.db2.gz CZDBOUZQEROIHP-UHFFFAOYSA-N 0 0 242.771 3.737 20 0 BHADRN OC1(CCSc2ccc(Cl)cc2)CCC1 ZINC000396910379 387513468 /nfs/dbraw/zinc/51/34/68/387513468.db2.gz JFQLEXKWKVFPJX-UHFFFAOYSA-N 0 0 242.771 3.737 20 0 BHADRN Cc1ccc(SCCC2(O)CCC2)cc1C ZINC000396911699 387513377 /nfs/dbraw/zinc/51/33/77/387513377.db2.gz KHASUBCYEBPBBQ-UHFFFAOYSA-N 0 0 236.380 3.701 20 0 BHADRN Cc1ccccc1CSCCC1(O)CCC1 ZINC000396912221 262826674 /nfs/dbraw/zinc/82/66/74/262826674.db2.gz KOWJDHQNRKAXCM-UHFFFAOYSA-N 0 0 236.380 3.533 20 0 BHADRN Cc1ccc(C)c(SCCC2(O)CCC2)c1 ZINC000396918169 387516311 /nfs/dbraw/zinc/51/63/11/387516311.db2.gz OOCLXUAMXZEHMY-UHFFFAOYSA-N 0 0 236.380 3.701 20 0 BHADRN Cc1ccc(SCCC2(O)CCC2)c(C)c1 ZINC000396929965 387513552 /nfs/dbraw/zinc/51/35/52/387513552.db2.gz XFFUUVLWBDWOMA-UHFFFAOYSA-N 0 0 236.380 3.701 20 0 BHADRN OC1(CCSc2ccccc2Cl)CCC1 ZINC000396931521 387519302 /nfs/dbraw/zinc/51/93/02/387519302.db2.gz YCTOPQWSZGPBGX-UHFFFAOYSA-N 0 0 242.771 3.737 20 0 BHADRN Cc1cccc(CSCCC2(O)CCC2)c1 ZINC000396934748 387521086 /nfs/dbraw/zinc/52/10/86/387521086.db2.gz ZXINNFPWTBDPAZ-UHFFFAOYSA-N 0 0 236.380 3.533 20 0 BHADRN CC1(C)C[C@@H](Nc2cccc3ccsc32)CO1 ZINC000396980073 387525424 /nfs/dbraw/zinc/52/54/24/387525424.db2.gz ROHCAJXVDIMNCE-LLVKDONJSA-N 0 0 247.363 3.881 20 0 BHADRN CC1(C)C[C@H](Nc2cccc3ccsc32)CO1 ZINC000396980076 387524615 /nfs/dbraw/zinc/52/46/15/387524615.db2.gz ROHCAJXVDIMNCE-NSHDSACASA-N 0 0 247.363 3.881 20 0 BHADRN CC1(C)C[C@@H](Nc2ccc(C(F)F)cc2)CO1 ZINC000396982010 711374945 /nfs/dbraw/zinc/37/49/45/711374945.db2.gz SUNLMXCYRRUIEN-LLVKDONJSA-N 0 0 241.281 3.604 20 0 BHADRN CC[C@H](COc1cccc2ccccc21)OC ZINC000397019279 387531601 /nfs/dbraw/zinc/53/16/01/387531601.db2.gz QVHDOZTWUAGTMU-CYBMUJFWSA-N 0 0 230.307 3.644 20 0 BHADRN CC[C@@H](COc1cccc2ccccc21)OC ZINC000397019282 387531912 /nfs/dbraw/zinc/53/19/12/387531912.db2.gz QVHDOZTWUAGTMU-ZDUSSCGKSA-N 0 0 230.307 3.644 20 0 BHADRN COc1ccc(N[C@@H](C)[C@H]2CC2(C)C)cc1OC ZINC000397562404 711386964 /nfs/dbraw/zinc/38/69/64/711386964.db2.gz BEWQGHDGNGHKOE-CMPLNLGQSA-N 0 0 249.354 3.550 20 0 BHADRN COc1ccc(N[C@@H](C)[C@@H]2CC2(C)C)cc1OC ZINC000397562405 711386985 /nfs/dbraw/zinc/38/69/85/711386985.db2.gz BEWQGHDGNGHKOE-JQWIXIFHSA-N 0 0 249.354 3.550 20 0 BHADRN COc1ccc(N[C@H](C)[C@@H]2CC2(C)C)cc1OC ZINC000397562406 711386841 /nfs/dbraw/zinc/38/68/41/711386841.db2.gz BEWQGHDGNGHKOE-PWSUYJOCSA-N 0 0 249.354 3.550 20 0 BHADRN COc1ccc(N[C@H](C)[C@H]2CC2(C)C)cc1OC ZINC000397562407 711386755 /nfs/dbraw/zinc/38/67/55/711386755.db2.gz BEWQGHDGNGHKOE-ZYHUDNBSSA-N 0 0 249.354 3.550 20 0 BHADRN COc1cc(N[C@@H](C)[C@H]2CC2(C)C)ccc1F ZINC000397573437 384737463 /nfs/dbraw/zinc/73/74/63/384737463.db2.gz CRVZNHDFMBPDJQ-GXSJLCMTSA-N 0 0 237.318 3.681 20 0 BHADRN COc1cc(N[C@H](C)[C@@H]2CC2(C)C)ccc1F ZINC000397573438 384736155 /nfs/dbraw/zinc/73/61/55/384736155.db2.gz CRVZNHDFMBPDJQ-KOLCDFICSA-N 0 0 237.318 3.681 20 0 BHADRN COc1cc(N[C@H](C)[C@H]2CC2(C)C)ccc1F ZINC000397573439 384736134 /nfs/dbraw/zinc/73/61/34/384736134.db2.gz CRVZNHDFMBPDJQ-MWLCHTKSSA-N 0 0 237.318 3.681 20 0 BHADRN COc1cc(N[C@@H](C)[C@@H]2CC2(C)C)ccc1F ZINC000397573440 384736990 /nfs/dbraw/zinc/73/69/90/384736990.db2.gz CRVZNHDFMBPDJQ-ONGXEEELSA-N 0 0 237.318 3.681 20 0 BHADRN COc1ccc(N[C@@H](C)[C@H]2CC2(C)C)cc1F ZINC000397583488 711388189 /nfs/dbraw/zinc/38/81/89/711388189.db2.gz GNYVYXUFZABTFF-GXSJLCMTSA-N 0 0 237.318 3.681 20 0 BHADRN COc1ccc(N[C@H](C)[C@@H]2CC2(C)C)cc1F ZINC000397583490 711387318 /nfs/dbraw/zinc/38/73/18/711387318.db2.gz GNYVYXUFZABTFF-KOLCDFICSA-N 0 0 237.318 3.681 20 0 BHADRN COc1ccc(N[C@H](C)[C@H]2CC2(C)C)cc1F ZINC000397583492 711387745 /nfs/dbraw/zinc/38/77/45/711387745.db2.gz GNYVYXUFZABTFF-MWLCHTKSSA-N 0 0 237.318 3.681 20 0 BHADRN COc1ccc(N[C@@H](C)[C@@H]2CC2(C)C)cc1F ZINC000397583495 711387640 /nfs/dbraw/zinc/38/76/40/711387640.db2.gz GNYVYXUFZABTFF-ONGXEEELSA-N 0 0 237.318 3.681 20 0 BHADRN C[C@@H](Nc1ccc(N(C)C)cc1)[C@H]1CC1(C)C ZINC000397584297 711388085 /nfs/dbraw/zinc/38/80/85/711388085.db2.gz BOXJAXAZUPHMOA-BXUZGUMPSA-N 0 0 232.371 3.599 20 0 BHADRN C[C@H](Nc1ccc(N(C)C)cc1)[C@@H]1CC1(C)C ZINC000397584302 711387979 /nfs/dbraw/zinc/38/79/79/711387979.db2.gz BOXJAXAZUPHMOA-FZMZJTMJSA-N 0 0 232.371 3.599 20 0 BHADRN C[C@@H](Nc1ccc(N(C)C)cc1)[C@@H]1CC1(C)C ZINC000397584307 711387619 /nfs/dbraw/zinc/38/76/19/711387619.db2.gz BOXJAXAZUPHMOA-RISCZKNCSA-N 0 0 232.371 3.599 20 0 BHADRN C[C@H](Nc1ccc(N(C)C)cc1)[C@H]1CC1(C)C ZINC000397584310 711388158 /nfs/dbraw/zinc/38/81/58/711388158.db2.gz BOXJAXAZUPHMOA-SMDDNHRTSA-N 0 0 232.371 3.599 20 0 BHADRN Cc1nc2cc(N[C@H](C)[C@H]3CC3(C)C)ccc2o1 ZINC000397636893 262928378 /nfs/dbraw/zinc/92/83/78/262928378.db2.gz WJNKMUXJMQRSTA-BXKDBHETSA-N 0 0 244.338 3.983 20 0 BHADRN Cc1nc2cc(N[C@@H](C)[C@@H]3CC3(C)C)ccc2o1 ZINC000397636895 388486352 /nfs/dbraw/zinc/48/63/52/388486352.db2.gz WJNKMUXJMQRSTA-CABZTGNLSA-N 0 0 244.338 3.983 20 0 BHADRN Cc1nc2cc(N[C@@H](C)[C@H]3CC3(C)C)ccc2o1 ZINC000397636898 387498377 /nfs/dbraw/zinc/49/83/77/387498377.db2.gz WJNKMUXJMQRSTA-JOYOIKCWSA-N 0 0 244.338 3.983 20 0 BHADRN Cc1nc2cc(N[C@H](C)[C@@H]3CC3(C)C)ccc2o1 ZINC000397636900 262794010 /nfs/dbraw/zinc/79/40/10/262794010.db2.gz WJNKMUXJMQRSTA-SKDRFNHKSA-N 0 0 244.338 3.983 20 0 BHADRN COc1cc(N[C@@H](C)[C@@H]2CC2(C)C)cc(OC)c1 ZINC000397663635 323182336 /nfs/dbraw/zinc/18/23/36/323182336.db2.gz OKGSTSAIJUIMHT-HZMBPMFUSA-N 0 0 249.354 3.550 20 0 BHADRN COc1cc(N[C@@H](C)[C@H]2CC2(C)C)cc(OC)c1 ZINC000397663636 323182335 /nfs/dbraw/zinc/18/23/35/323182335.db2.gz OKGSTSAIJUIMHT-IINYFYTJSA-N 0 0 249.354 3.550 20 0 BHADRN COc1cc(N[C@H](C)[C@H]2CC2(C)C)cc(OC)c1 ZINC000397663637 323182307 /nfs/dbraw/zinc/18/23/07/323182307.db2.gz OKGSTSAIJUIMHT-QMTHXVAHSA-N 0 0 249.354 3.550 20 0 BHADRN COc1cc(N[C@H](C)[C@@H]2CC2(C)C)cc(OC)c1 ZINC000397663638 323182330 /nfs/dbraw/zinc/18/23/30/323182330.db2.gz OKGSTSAIJUIMHT-YGRLFVJLSA-N 0 0 249.354 3.550 20 0 BHADRN Clc1cnc(N[C@@H]2C[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000397668051 323187987 /nfs/dbraw/zinc/18/79/87/323187987.db2.gz MABRAVZKXCMDTP-SRSLHRDFSA-N 0 0 243.137 3.599 20 0 BHADRN COc1ccc(N[C@@H](C)[C@H]2CC2(C)C)c(OC)c1 ZINC000397682545 710908184 /nfs/dbraw/zinc/90/81/84/710908184.db2.gz UKRIJWKKBDYSDC-CMPLNLGQSA-N 0 0 249.354 3.550 20 0 BHADRN COc1ccc(N[C@@H](C)[C@@H]2CC2(C)C)c(OC)c1 ZINC000397682547 710909233 /nfs/dbraw/zinc/90/92/33/710909233.db2.gz UKRIJWKKBDYSDC-JQWIXIFHSA-N 0 0 249.354 3.550 20 0 BHADRN COc1ccc(N[C@H](C)[C@@H]2CC2(C)C)c(OC)c1 ZINC000397682549 710908793 /nfs/dbraw/zinc/90/87/93/710908793.db2.gz UKRIJWKKBDYSDC-PWSUYJOCSA-N 0 0 249.354 3.550 20 0 BHADRN COc1ccc(N[C@H](C)[C@H]2CC2(C)C)c(OC)c1 ZINC000397682551 710908946 /nfs/dbraw/zinc/90/89/46/710908946.db2.gz UKRIJWKKBDYSDC-ZYHUDNBSSA-N 0 0 249.354 3.550 20 0 BHADRN COCc1cccc(N[C@H](C)[C@H]2CC2(C)C)c1 ZINC000397688337 363476355 /nfs/dbraw/zinc/47/63/55/363476355.db2.gz MFDTVISFKKDCIX-BXUZGUMPSA-N 0 0 233.355 3.680 20 0 BHADRN COCc1cccc(N[C@@H](C)[C@@H]2CC2(C)C)c1 ZINC000397688338 363476561 /nfs/dbraw/zinc/47/65/61/363476561.db2.gz MFDTVISFKKDCIX-FZMZJTMJSA-N 0 0 233.355 3.680 20 0 BHADRN COCc1cccc(N[C@H](C)[C@@H]2CC2(C)C)c1 ZINC000397688339 363476614 /nfs/dbraw/zinc/47/66/14/363476614.db2.gz MFDTVISFKKDCIX-RISCZKNCSA-N 0 0 233.355 3.680 20 0 BHADRN COCc1cccc(N[C@@H](C)[C@H]2CC2(C)C)c1 ZINC000397688340 363476429 /nfs/dbraw/zinc/47/64/29/363476429.db2.gz MFDTVISFKKDCIX-SMDDNHRTSA-N 0 0 233.355 3.680 20 0 BHADRN COCc1ccc(N[C@H](C)[C@H]2CC2(C)C)cc1 ZINC000397708224 711389085 /nfs/dbraw/zinc/38/90/85/711389085.db2.gz SCSOVQSACILQDC-BXUZGUMPSA-N 0 0 233.355 3.680 20 0 BHADRN COCc1ccc(N[C@@H](C)[C@@H]2CC2(C)C)cc1 ZINC000397708226 711389105 /nfs/dbraw/zinc/38/91/05/711389105.db2.gz SCSOVQSACILQDC-FZMZJTMJSA-N 0 0 233.355 3.680 20 0 BHADRN COCc1ccc(N[C@H](C)[C@@H]2CC2(C)C)cc1 ZINC000397708228 711389036 /nfs/dbraw/zinc/38/90/36/711389036.db2.gz SCSOVQSACILQDC-RISCZKNCSA-N 0 0 233.355 3.680 20 0 BHADRN COCc1ccc(N[C@@H](C)[C@H]2CC2(C)C)cc1 ZINC000397708230 711388952 /nfs/dbraw/zinc/38/89/52/711388952.db2.gz SCSOVQSACILQDC-SMDDNHRTSA-N 0 0 233.355 3.680 20 0 BHADRN c1cc2c(ccnc2N[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000397719345 410932322 /nfs/dbraw/zinc/93/23/22/410932322.db2.gz VEGYAQUMZVUBKB-ILWJIGKKSA-N 0 0 230.336 3.507 20 0 BHADRN CC(C)=CCCNc1ccnc(C(F)(F)F)c1 ZINC000397720622 357671322 /nfs/dbraw/zinc/67/13/22/357671322.db2.gz SGMPTCIOSCWRDN-UHFFFAOYSA-N 0 0 244.260 3.869 20 0 BHADRN C[C@@H](Nc1ccccc1N(C)C)[C@@H]1CC1(C)C ZINC000397729426 262931023 /nfs/dbraw/zinc/93/10/23/262931023.db2.gz XXTVWOGNOSGJPY-NEPJUHHUSA-N 0 0 232.371 3.599 20 0 BHADRN C[C@H](Nc1ccccc1N(C)C)[C@H]1CC1(C)C ZINC000397729429 262931036 /nfs/dbraw/zinc/93/10/36/262931036.db2.gz XXTVWOGNOSGJPY-NWDGAFQWSA-N 0 0 232.371 3.599 20 0 BHADRN C[C@H](Nc1ccccc1N(C)C)[C@@H]1CC1(C)C ZINC000397729431 385701668 /nfs/dbraw/zinc/70/16/68/385701668.db2.gz XXTVWOGNOSGJPY-RYUDHWBXSA-N 0 0 232.371 3.599 20 0 BHADRN C[C@@H](Nc1ccccc1N(C)C)[C@H]1CC1(C)C ZINC000397729434 385701552 /nfs/dbraw/zinc/70/15/52/385701552.db2.gz XXTVWOGNOSGJPY-VXGBXAGGSA-N 0 0 232.371 3.599 20 0 BHADRN COCCc1ccccc1N[C@@H](C)[C@H]1CC1(C)C ZINC000397775921 388498028 /nfs/dbraw/zinc/49/80/28/388498028.db2.gz IHSCERDEIGDXML-GXTWGEPZSA-N 0 0 247.382 3.722 20 0 BHADRN COCCc1ccccc1N[C@@H](C)[C@@H]1CC1(C)C ZINC000397775927 262933070 /nfs/dbraw/zinc/93/30/70/262933070.db2.gz IHSCERDEIGDXML-JSGCOSHPSA-N 0 0 247.382 3.722 20 0 BHADRN COCCc1ccccc1N[C@H](C)[C@@H]1CC1(C)C ZINC000397775929 388497983 /nfs/dbraw/zinc/49/79/83/388497983.db2.gz IHSCERDEIGDXML-OCCSQVGLSA-N 0 0 247.382 3.722 20 0 BHADRN COCCc1ccccc1N[C@H](C)[C@H]1CC1(C)C ZINC000397775934 388498059 /nfs/dbraw/zinc/49/80/59/388498059.db2.gz IHSCERDEIGDXML-TZMCWYRMSA-N 0 0 247.382 3.722 20 0 BHADRN C[C@H]1C[C@@H](Nc2nccc3ccccc32)CS1 ZINC000397881655 363727699 /nfs/dbraw/zinc/72/76/99/363727699.db2.gz YXLTWXOQSIIIDS-CMPLNLGQSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@H]1C[C@H](Nc2nccc3ccccc32)CS1 ZINC000397881659 350986054 /nfs/dbraw/zinc/98/60/54/350986054.db2.gz YXLTWXOQSIIIDS-JQWIXIFHSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@@H]1C[C@H](Nc2nccc3ccccc32)CS1 ZINC000397881662 350986164 /nfs/dbraw/zinc/98/61/64/350986164.db2.gz YXLTWXOQSIIIDS-PWSUYJOCSA-N 0 0 244.363 3.541 20 0 BHADRN C[C@@H]1C[C@@H](Nc2nccc3ccccc32)CS1 ZINC000397881666 350985695 /nfs/dbraw/zinc/98/56/95/350985695.db2.gz YXLTWXOQSIIIDS-ZYHUDNBSSA-N 0 0 244.363 3.541 20 0 BHADRN CCCC[C@H](NCc1cocn1)c1ccccc1 ZINC000397942084 583113056 /nfs/dbraw/zinc/11/30/56/583113056.db2.gz VFPTUTMBPALPMB-HNNXBMFYSA-N 0 0 244.338 3.696 20 0 BHADRN CCCC[C@@H](NCc1cocn1)c1ccccc1 ZINC000397942087 583113217 /nfs/dbraw/zinc/11/32/17/583113217.db2.gz VFPTUTMBPALPMB-OAHLLOKOSA-N 0 0 244.338 3.696 20 0 BHADRN Cc1cccc(C)c1CN[C@@H]1CCCC1(F)F ZINC000397968985 634233853 /nfs/dbraw/zinc/23/38/53/634233853.db2.gz AENHHNZBLUMYHJ-CYBMUJFWSA-N 0 0 239.309 3.581 20 0 BHADRN Cc1cccc(C)c1CN[C@H]1CCCC1(F)F ZINC000397968989 634233023 /nfs/dbraw/zinc/23/30/23/634233023.db2.gz AENHHNZBLUMYHJ-ZDUSSCGKSA-N 0 0 239.309 3.581 20 0 BHADRN Cc1cccc(CN[C@@H]2CCCC2(F)F)c1C ZINC000397969931 634233001 /nfs/dbraw/zinc/23/30/01/634233001.db2.gz ASEMOCOUHQSIQR-CYBMUJFWSA-N 0 0 239.309 3.581 20 0 BHADRN Cc1cccc(CN[C@H]2CCCC2(F)F)c1C ZINC000397969932 634232659 /nfs/dbraw/zinc/23/26/59/634232659.db2.gz ASEMOCOUHQSIQR-ZDUSSCGKSA-N 0 0 239.309 3.581 20 0 BHADRN C[C@@H](N[C@@H]1CCCC1(F)F)c1cccc(F)c1 ZINC000397977629 583115007 /nfs/dbraw/zinc/11/50/07/583115007.db2.gz DLOHALCPSPZFPI-BXKDBHETSA-N 0 0 243.272 3.664 20 0 BHADRN C[C@H](N[C@H]1CCCC1(F)F)c1cccc(F)c1 ZINC000397977630 583115148 /nfs/dbraw/zinc/11/51/48/583115148.db2.gz DLOHALCPSPZFPI-CABZTGNLSA-N 0 0 243.272 3.664 20 0 BHADRN C[C@H](N[C@@H]1CCCC1(F)F)c1cccc(F)c1 ZINC000397977631 583115017 /nfs/dbraw/zinc/11/50/17/583115017.db2.gz DLOHALCPSPZFPI-JOYOIKCWSA-N 0 0 243.272 3.664 20 0 BHADRN C[C@@H](N[C@H]1CCCC1(F)F)c1cccc(F)c1 ZINC000397977632 583114864 /nfs/dbraw/zinc/11/48/64/583114864.db2.gz DLOHALCPSPZFPI-SKDRFNHKSA-N 0 0 243.272 3.664 20 0 BHADRN Cc1ccc(CN[C@@H]2CCCC2(F)F)cc1C ZINC000397983424 583114901 /nfs/dbraw/zinc/11/49/01/583114901.db2.gz FXPLVSPGTLBDPJ-CYBMUJFWSA-N 0 0 239.309 3.581 20 0 BHADRN C[C@@H](N[C@@H]1CCCC1(F)F)c1ccccc1F ZINC000397987276 634236880 /nfs/dbraw/zinc/23/68/80/634236880.db2.gz HHJWQIBFWUZWJM-BXKDBHETSA-N 0 0 243.272 3.664 20 0 BHADRN C[C@H](N[C@H]1CCCC1(F)F)c1ccccc1F ZINC000397987279 634235455 /nfs/dbraw/zinc/23/54/55/634235455.db2.gz HHJWQIBFWUZWJM-CABZTGNLSA-N 0 0 243.272 3.664 20 0 BHADRN C[C@H](N[C@@H]1CCCC1(F)F)c1ccccc1F ZINC000397987283 634235122 /nfs/dbraw/zinc/23/51/22/634235122.db2.gz HHJWQIBFWUZWJM-JOYOIKCWSA-N 0 0 243.272 3.664 20 0 BHADRN C[C@@H](N[C@H]1CCCC1(F)F)c1ccccc1F ZINC000397987286 634236632 /nfs/dbraw/zinc/23/66/32/634236632.db2.gz HHJWQIBFWUZWJM-SKDRFNHKSA-N 0 0 243.272 3.664 20 0 BHADRN Cc1cc(C)cc(CN[C@@H]2CCCC2(F)F)c1 ZINC000397993850 634236764 /nfs/dbraw/zinc/23/67/64/634236764.db2.gz JPICVVJLECXQRA-CYBMUJFWSA-N 0 0 239.309 3.581 20 0 BHADRN Cc1cc(C)cc(CN[C@H]2CCCC2(F)F)c1 ZINC000397993853 634236206 /nfs/dbraw/zinc/23/62/06/634236206.db2.gz JPICVVJLECXQRA-ZDUSSCGKSA-N 0 0 239.309 3.581 20 0 BHADRN Cc1ccc([C@H](C)N[C@H]2CCCC2(F)F)cc1 ZINC000398001302 583116217 /nfs/dbraw/zinc/11/62/17/583116217.db2.gz NRKNTBMVASXMLK-AAEUAGOBSA-N 0 0 239.309 3.833 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H]2CCCC2(F)F)cc1 ZINC000398001303 583116250 /nfs/dbraw/zinc/11/62/50/583116250.db2.gz NRKNTBMVASXMLK-DGCLKSJQSA-N 0 0 239.309 3.833 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H]2CCCC2(F)F)cc1 ZINC000398001305 583116357 /nfs/dbraw/zinc/11/63/57/583116357.db2.gz NRKNTBMVASXMLK-WCQYABFASA-N 0 0 239.309 3.833 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H]2CCCC2(F)F)cc1 ZINC000398001307 583116053 /nfs/dbraw/zinc/11/60/53/583116053.db2.gz NRKNTBMVASXMLK-YPMHNXCESA-N 0 0 239.309 3.833 20 0 BHADRN Cc1ccccc1[C@H](C)N[C@H]1CCCC1(F)F ZINC000398002813 711458473 /nfs/dbraw/zinc/45/84/73/711458473.db2.gz OSPXOWZBXVGBQE-AAEUAGOBSA-N 0 0 239.309 3.833 20 0 BHADRN Cc1ccccc1[C@@H](C)N[C@@H]1CCCC1(F)F ZINC000398002814 583116367 /nfs/dbraw/zinc/11/63/67/583116367.db2.gz OSPXOWZBXVGBQE-DGCLKSJQSA-N 0 0 239.309 3.833 20 0 BHADRN Cc1ccccc1[C@H](C)N[C@@H]1CCCC1(F)F ZINC000398002815 583116225 /nfs/dbraw/zinc/11/62/25/583116225.db2.gz OSPXOWZBXVGBQE-WCQYABFASA-N 0 0 239.309 3.833 20 0 BHADRN Cc1ccccc1[C@@H](C)N[C@H]1CCCC1(F)F ZINC000398002816 583116153 /nfs/dbraw/zinc/11/61/53/583116153.db2.gz OSPXOWZBXVGBQE-YPMHNXCESA-N 0 0 239.309 3.833 20 0 BHADRN Cc1ccc(CN[C@@H]2CCCC2(F)F)c(C)c1 ZINC000398005816 583116506 /nfs/dbraw/zinc/11/65/06/583116506.db2.gz QHOWQYDOWUOMFY-CYBMUJFWSA-N 0 0 239.309 3.581 20 0 BHADRN Cc1ccc(CN[C@H]2CCCC2(F)F)c(C)c1 ZINC000398005817 583116504 /nfs/dbraw/zinc/11/65/04/583116504.db2.gz QHOWQYDOWUOMFY-ZDUSSCGKSA-N 0 0 239.309 3.581 20 0 BHADRN C[C@@H](N[C@@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000398011544 634248062 /nfs/dbraw/zinc/24/80/62/634248062.db2.gz SZNVIGCTLBTAQE-BXKDBHETSA-N 0 0 243.272 3.664 20 0 BHADRN C[C@H](N[C@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000398011546 634246982 /nfs/dbraw/zinc/24/69/82/634246982.db2.gz SZNVIGCTLBTAQE-CABZTGNLSA-N 0 0 243.272 3.664 20 0 BHADRN C[C@H](N[C@@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000398011548 634247231 /nfs/dbraw/zinc/24/72/31/634247231.db2.gz SZNVIGCTLBTAQE-JOYOIKCWSA-N 0 0 243.272 3.664 20 0 BHADRN C[C@@H](N[C@H]1CCCC1(F)F)c1ccc(F)cc1 ZINC000398011549 634248646 /nfs/dbraw/zinc/24/86/46/634248646.db2.gz SZNVIGCTLBTAQE-SKDRFNHKSA-N 0 0 243.272 3.664 20 0 BHADRN CCc1ccc(CN[C@@H]2CCCC2(F)F)cc1 ZINC000398012748 634246781 /nfs/dbraw/zinc/24/67/81/634246781.db2.gz UJBUTBJNMAQVKJ-CYBMUJFWSA-N 0 0 239.309 3.526 20 0 BHADRN CCc1ccc(CN[C@H]2CCCC2(F)F)cc1 ZINC000398012749 634247888 /nfs/dbraw/zinc/24/78/88/634247888.db2.gz UJBUTBJNMAQVKJ-ZDUSSCGKSA-N 0 0 239.309 3.526 20 0 BHADRN CC[C@@H](N[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000398014031 583116908 /nfs/dbraw/zinc/11/69/08/583116908.db2.gz VFJSTAGCJZPUHI-CHWSQXEVSA-N 0 0 239.309 3.915 20 0 BHADRN CC[C@@H](N[C@H]1CCCC1(F)F)c1ccccc1 ZINC000398014032 583116975 /nfs/dbraw/zinc/11/69/75/583116975.db2.gz VFJSTAGCJZPUHI-OLZOCXBDSA-N 0 0 239.309 3.915 20 0 BHADRN CC[C@H](N[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000398014034 583116955 /nfs/dbraw/zinc/11/69/55/583116955.db2.gz VFJSTAGCJZPUHI-QWHCGFSZSA-N 0 0 239.309 3.915 20 0 BHADRN CC[C@H](N[C@H]1CCCC1(F)F)c1ccccc1 ZINC000398014035 583116766 /nfs/dbraw/zinc/11/67/66/583116766.db2.gz VFJSTAGCJZPUHI-STQMWFEESA-N 0 0 239.309 3.915 20 0 BHADRN Cc1ccc(C)c(CN[C@@H]2CCCC2(F)F)c1 ZINC000398017618 634249701 /nfs/dbraw/zinc/24/97/01/634249701.db2.gz XUBUDQBAISYPLV-CYBMUJFWSA-N 0 0 239.309 3.581 20 0 BHADRN Cc1ccc(C)c(CN[C@H]2CCCC2(F)F)c1 ZINC000398017619 634250355 /nfs/dbraw/zinc/25/03/55/634250355.db2.gz XUBUDQBAISYPLV-ZDUSSCGKSA-N 0 0 239.309 3.581 20 0 BHADRN Cc1cccc([C@H](C)N[C@H]2CCCC2(F)F)c1 ZINC000398019975 634249468 /nfs/dbraw/zinc/24/94/68/634249468.db2.gz ZHRLTLZKIGEWRP-AAEUAGOBSA-N 0 0 239.309 3.833 20 0 BHADRN Cc1cccc([C@@H](C)N[C@@H]2CCCC2(F)F)c1 ZINC000398019977 634250112 /nfs/dbraw/zinc/25/01/12/634250112.db2.gz ZHRLTLZKIGEWRP-DGCLKSJQSA-N 0 0 239.309 3.833 20 0 BHADRN Cc1cccc([C@H](C)N[C@@H]2CCCC2(F)F)c1 ZINC000398019979 583117044 /nfs/dbraw/zinc/11/70/44/583117044.db2.gz ZHRLTLZKIGEWRP-WCQYABFASA-N 0 0 239.309 3.833 20 0 BHADRN Cc1cccc([C@@H](C)N[C@H]2CCCC2(F)F)c1 ZINC000398019981 583116709 /nfs/dbraw/zinc/11/67/09/583116709.db2.gz ZHRLTLZKIGEWRP-YPMHNXCESA-N 0 0 239.309 3.833 20 0 BHADRN Cc1cc([C@@H](C)N[C@@H]2CCCC2(F)F)c(C)o1 ZINC000398081553 583119656 /nfs/dbraw/zinc/11/96/56/583119656.db2.gz BEHWOIBATOBPEJ-BXKDBHETSA-N 0 0 243.297 3.735 20 0 BHADRN Cc1cc([C@H](C)N[C@H]2CCCC2(F)F)c(C)o1 ZINC000398081557 583119667 /nfs/dbraw/zinc/11/96/67/583119667.db2.gz BEHWOIBATOBPEJ-CABZTGNLSA-N 0 0 243.297 3.735 20 0 BHADRN Cc1cc([C@H](C)N[C@@H]2CCCC2(F)F)c(C)o1 ZINC000398081561 583119634 /nfs/dbraw/zinc/11/96/34/583119634.db2.gz BEHWOIBATOBPEJ-JOYOIKCWSA-N 0 0 243.297 3.735 20 0 BHADRN Cc1cc([C@@H](C)N[C@H]2CCCC2(F)F)c(C)o1 ZINC000398081567 583119632 /nfs/dbraw/zinc/11/96/32/583119632.db2.gz BEHWOIBATOBPEJ-SKDRFNHKSA-N 0 0 243.297 3.735 20 0 BHADRN CC[C@@H](N[C@@H]1CCCC1(F)F)c1ccsc1 ZINC000398087277 410942491 /nfs/dbraw/zinc/94/24/91/410942491.db2.gz IHBHCUZWEFBHLH-GHMZBOCLSA-N 0 0 245.338 3.977 20 0 BHADRN CC[C@@H](N[C@H]1CCCC1(F)F)c1ccsc1 ZINC000398087280 410943074 /nfs/dbraw/zinc/94/30/74/410943074.db2.gz IHBHCUZWEFBHLH-MNOVXSKESA-N 0 0 245.338 3.977 20 0 BHADRN CC[C@H](N[C@H]1CCCC1(F)F)c1ccsc1 ZINC000398087283 410942477 /nfs/dbraw/zinc/94/24/77/410942477.db2.gz IHBHCUZWEFBHLH-QWRGUYRKSA-N 0 0 245.338 3.977 20 0 BHADRN CC[C@H](N[C@@H]1CCCC1(F)F)c1ccsc1 ZINC000398087285 410942952 /nfs/dbraw/zinc/94/29/52/410942952.db2.gz IHBHCUZWEFBHLH-WDEREUQCSA-N 0 0 245.338 3.977 20 0 BHADRN C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2(C3(C)CC3)CC2)o1 ZINC000398123377 384806212 /nfs/dbraw/zinc/80/62/12/384806212.db2.gz FORJLXNHMDNCQF-AAEUAGOBSA-N 0 0 245.366 3.825 20 0 BHADRN C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2(C3(C)CC3)CC2)o1 ZINC000398123921 384807851 /nfs/dbraw/zinc/80/78/51/384807851.db2.gz FORJLXNHMDNCQF-DGCLKSJQSA-N 0 0 245.366 3.825 20 0 BHADRN C[C@H]1C[C@H]1c1ccc(C[NH2+]C2(C3(C)CC3)CC2)o1 ZINC000398123925 384808522 /nfs/dbraw/zinc/80/85/22/384808522.db2.gz FORJLXNHMDNCQF-WCQYABFASA-N 0 0 245.366 3.825 20 0 BHADRN C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2(C3(C)CC3)CC2)o1 ZINC000398123928 384807177 /nfs/dbraw/zinc/80/71/77/384807177.db2.gz FORJLXNHMDNCQF-YPMHNXCESA-N 0 0 245.366 3.825 20 0 BHADRN Cc1cc([C@H](C)N[C@@H]2CCCC2(F)F)cs1 ZINC000398137652 410943292 /nfs/dbraw/zinc/94/32/92/410943292.db2.gz VIHMMLZUDSPLKI-GXSJLCMTSA-N 0 0 245.338 3.895 20 0 BHADRN Cc1cc([C@@H](C)N[C@H]2CCCC2(F)F)cs1 ZINC000398137653 410941976 /nfs/dbraw/zinc/94/19/76/410941976.db2.gz VIHMMLZUDSPLKI-KOLCDFICSA-N 0 0 245.338 3.895 20 0 BHADRN Cc1cc([C@@H](C)N[C@@H]2CCCC2(F)F)cs1 ZINC000398137654 410943424 /nfs/dbraw/zinc/94/34/24/410943424.db2.gz VIHMMLZUDSPLKI-MWLCHTKSSA-N 0 0 245.338 3.895 20 0 BHADRN Cc1cc([C@H](C)N[C@H]2CCCC2(F)F)cs1 ZINC000398137655 410943274 /nfs/dbraw/zinc/94/32/74/410943274.db2.gz VIHMMLZUDSPLKI-ONGXEEELSA-N 0 0 245.338 3.895 20 0 BHADRN C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCC1(F)F ZINC000398146488 711403010 /nfs/dbraw/zinc/40/30/10/711403010.db2.gz XUGJPCZLTGKJCT-NXEZZACHSA-N 0 0 219.319 3.589 20 0 BHADRN C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCCC1(F)F ZINC000398146489 711402795 /nfs/dbraw/zinc/40/27/95/711402795.db2.gz XUGJPCZLTGKJCT-UWVGGRQHSA-N 0 0 219.319 3.589 20 0 BHADRN C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCCC1(F)F ZINC000398146490 711403038 /nfs/dbraw/zinc/40/30/38/711403038.db2.gz XUGJPCZLTGKJCT-VHSXEESVSA-N 0 0 219.319 3.589 20 0 BHADRN C[C@H](CC(C)(C)C)[NH2+][C@H]1CCCC1(F)F ZINC000398146491 711402910 /nfs/dbraw/zinc/40/29/10/711402910.db2.gz XUGJPCZLTGKJCT-ZJUUUORDSA-N 0 0 219.319 3.589 20 0 BHADRN C[C@H](CCC1CC1)NC(=S)Nc1ccccc1 ZINC000398196156 711403915 /nfs/dbraw/zinc/40/39/15/711403915.db2.gz CVBFLQHDHPIBKA-LLVKDONJSA-N 0 0 248.395 3.552 20 0 BHADRN C[C@@H](CCC1CC1)NC(=S)Nc1ccccc1 ZINC000398196158 711404366 /nfs/dbraw/zinc/40/43/66/711404366.db2.gz CVBFLQHDHPIBKA-NSHDSACASA-N 0 0 248.395 3.552 20 0 BHADRN CC1(C2(Nc3nc4ccccc4o3)CC2)CC1 ZINC000398250543 322867431 /nfs/dbraw/zinc/86/74/31/322867431.db2.gz ILPZVORMJYVQMR-UHFFFAOYSA-N 0 0 228.295 3.572 20 0 BHADRN CC[C@H](O)c1ccc(OCCC2CCC2)cc1 ZINC000398464893 711410941 /nfs/dbraw/zinc/41/09/41/711410941.db2.gz APNLQZLCAJPRII-HNNXBMFYSA-N 0 0 234.339 3.699 20 0 BHADRN CC[C@@H](O)c1ccc(OCCC2CCC2)cc1 ZINC000398464903 711410739 /nfs/dbraw/zinc/41/07/39/711410739.db2.gz APNLQZLCAJPRII-OAHLLOKOSA-N 0 0 234.339 3.699 20 0 BHADRN C[C@@H]1CN(C(=O)OC2CCCC2)c2ccccc21 ZINC000398541682 711411855 /nfs/dbraw/zinc/41/18/55/711411855.db2.gz CSJYGQZMJUTOCH-LLVKDONJSA-N 0 0 245.322 3.689 20 0 BHADRN C[C@H]1CN(C(=O)OC2CCCC2)c2ccccc21 ZINC000398541684 711411970 /nfs/dbraw/zinc/41/19/70/711411970.db2.gz CSJYGQZMJUTOCH-NSHDSACASA-N 0 0 245.322 3.689 20 0 BHADRN COc1cc(Cl)ccc1OCCCCCF ZINC000398576671 355378348 /nfs/dbraw/zinc/37/83/48/355378348.db2.gz HCPQQDZGVVXEML-UHFFFAOYSA-N 0 0 246.709 3.867 20 0 BHADRN CC(=O)c1ccc(OCCC2CCC2)cc1F ZINC000398642465 488221319 /nfs/dbraw/zinc/22/13/19/488221319.db2.gz AJLWYOQQZWZZQM-UHFFFAOYSA-N 0 0 236.286 3.597 20 0 BHADRN Fc1cc2ncn(CCC3CCC3)c2cc1F ZINC000398723458 488223672 /nfs/dbraw/zinc/22/36/72/488223672.db2.gz QOPKTLXWJRKBCH-UHFFFAOYSA-N 0 0 236.265 3.505 20 0 BHADRN CC(=O)CCc1ccc(OCCC2CCC2)cc1 ZINC000398795618 488224802 /nfs/dbraw/zinc/22/48/02/488224802.db2.gz MCQXKIVEVPBEMW-UHFFFAOYSA-N 0 0 246.350 3.777 20 0 BHADRN CC(C)C(CNC(=O)[C@@H](C)C(C)(C)C)C(C)C ZINC000399029948 262774376 /nfs/dbraw/zinc/77/43/76/262774376.db2.gz JPYXZVCWENZGNI-GFCCVEGCSA-N 0 0 241.419 3.713 20 0 BHADRN CC(C)C(CNC(=O)[C@H](C)C(C)(C)C)C(C)C ZINC000399029949 387043222 /nfs/dbraw/zinc/04/32/22/387043222.db2.gz JPYXZVCWENZGNI-LBPRGKRZSA-N 0 0 241.419 3.713 20 0 BHADRN Cc1cccc(NCC[C@H]2CC2(Cl)Cl)c1 ZINC000399097793 711420140 /nfs/dbraw/zinc/42/01/40/711420140.db2.gz CPJIZQZHYLLTOF-JTQLQIEISA-N 0 0 244.165 3.991 20 0 BHADRN Cc1cccc(NCC[C@@H]2CC2(Cl)Cl)c1 ZINC000399097796 711743637 /nfs/dbraw/zinc/74/36/37/711743637.db2.gz CPJIZQZHYLLTOF-SNVBAGLBSA-N 0 0 244.165 3.991 20 0 BHADRN Cc1ccccc1NCC[C@H]1CC1(Cl)Cl ZINC000399104542 710912719 /nfs/dbraw/zinc/91/27/19/710912719.db2.gz GEZUIKJMNBAJDG-JTQLQIEISA-N 0 0 244.165 3.991 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Cc1cc(Cl)ccc1OCCC(F)(F)F ZINC000400801421 398288096 /nfs/dbraw/zinc/28/80/96/398288096.db2.gz DJNRNHNGALGPAL-UHFFFAOYSA-N 0 0 238.636 3.980 20 0 BHADRN COC(C)(C)CCOc1ccc(Cl)cc1C ZINC000400854547 532951470 /nfs/dbraw/zinc/95/14/70/532951470.db2.gz JTHWVYINNGEMSX-UHFFFAOYSA-N 0 0 242.746 3.842 20 0 BHADRN Cc1cc(Cl)ccc1OCC[C@H]1CCCO1 ZINC000400873269 533793196 /nfs/dbraw/zinc/79/31/96/533793196.db2.gz TYLNWTVRCKKSMZ-GFCCVEGCSA-N 0 0 240.730 3.596 20 0 BHADRN Cc1cc(Cl)ccc1OCC[C@@H]1CCCO1 ZINC000400873274 533792150 /nfs/dbraw/zinc/79/21/50/533792150.db2.gz TYLNWTVRCKKSMZ-LBPRGKRZSA-N 0 0 240.730 3.596 20 0 BHADRN Cc1cc(Cl)ccc1OCCCCF ZINC000400894997 383999067 /nfs/dbraw/zinc/99/90/67/383999067.db2.gz IWNLOFTYOBHCCT-UHFFFAOYSA-N 0 0 216.683 3.777 20 0 BHADRN CSCCCOc1ccc(Cl)cc1C ZINC000400898065 533573525 /nfs/dbraw/zinc/57/35/25/533573525.db2.gz KGCRINKCMPNLJV-UHFFFAOYSA-N 0 0 230.760 3.780 20 0 BHADRN CCSCCOc1ccc(Cl)cc1C ZINC000400921193 388375653 /nfs/dbraw/zinc/37/56/53/388375653.db2.gz 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383865471 /nfs/dbraw/zinc/86/54/71/383865471.db2.gz MMMAQUXNQZAKNM-NSHDSACASA-N 0 0 240.730 3.536 20 0 BHADRN Clc1ccc(OCCC[C@@H]2CCOC2)cc1 ZINC000401076516 383889632 /nfs/dbraw/zinc/88/96/32/383889632.db2.gz PBFPXAFTFGLOKF-LLVKDONJSA-N 0 0 240.730 3.536 20 0 BHADRN Clc1ccc(OCCC[C@H]2CCOC2)cc1 ZINC000401076931 383887796 /nfs/dbraw/zinc/88/77/96/383887796.db2.gz PBFPXAFTFGLOKF-NSHDSACASA-N 0 0 240.730 3.536 20 0 BHADRN OCC1(SCC2=CCCC2)CCCCC1 ZINC000401079741 346158422 /nfs/dbraw/zinc/15/84/22/346158422.db2.gz MQJYGFYHZYEWHJ-UHFFFAOYSA-N 0 0 226.385 3.525 20 0 BHADRN Clc1ccccc1OCCC[C@@H]1CCOC1 ZINC000401088295 383902201 /nfs/dbraw/zinc/90/22/01/383902201.db2.gz WJBUTEPJCBSQAW-LLVKDONJSA-N 0 0 240.730 3.536 20 0 BHADRN Clc1ccccc1OCCC[C@H]1CCOC1 ZINC000401088296 383903125 /nfs/dbraw/zinc/90/31/25/383903125.db2.gz WJBUTEPJCBSQAW-NSHDSACASA-N 0 0 240.730 3.536 20 0 BHADRN CC(=O)CCc1ccc(OCC2=CCCC2)cc1 ZINC000401097289 383916598 /nfs/dbraw/zinc/91/65/98/383916598.db2.gz 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ZINC000401872530 384185692 /nfs/dbraw/zinc/18/56/92/384185692.db2.gz ZMMJCPBNAATCLR-SMDDNHRTSA-N 0 0 233.355 3.573 20 0 BHADRN C[C@H]1C[C@H](Nc2cc(Cl)cc(Cl)c2)CO1 ZINC000401942913 384319039 /nfs/dbraw/zinc/31/90/39/384319039.db2.gz HIRNFUWINWZHCH-CPCISQLKSA-N 0 0 246.137 3.583 20 0 BHADRN C[C@@H]1C[C@H](Nc2cc(Cl)cc(Cl)c2)CO1 ZINC000401942914 384318982 /nfs/dbraw/zinc/31/89/82/384318982.db2.gz HIRNFUWINWZHCH-HQJQHLMTSA-N 0 0 246.137 3.583 20 0 BHADRN C[C@@H]1C[C@@H](Nc2cc(Cl)cc(Cl)c2)CO1 ZINC000401942915 384319117 /nfs/dbraw/zinc/31/91/17/384319117.db2.gz HIRNFUWINWZHCH-RDDDGLTNSA-N 0 0 246.137 3.583 20 0 BHADRN C[C@H]1C[C@@H](Nc2cc(Cl)cc(Cl)c2)CO1 ZINC000401942916 384318730 /nfs/dbraw/zinc/31/87/30/384318730.db2.gz HIRNFUWINWZHCH-WRWORJQWSA-N 0 0 246.137 3.583 20 0 BHADRN Cc1cc(OC[C@H](C)O)c(C(C)C)cc1Cl ZINC000402315709 226369572 /nfs/dbraw/zinc/36/95/72/226369572.db2.gz QHTHAWHMAKAPGL-JTQLQIEISA-N 0 0 242.746 3.531 20 0 BHADRN Cc1cc(OC[C@@H](C)O)c(C(C)C)cc1Cl ZINC000402315710 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CCCC[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000409956236 191020496 /nfs/dbraw/zinc/02/04/96/191020496.db2.gz MJQHRYGMVFRRAG-XJFOESAGSA-N 0 0 239.403 3.706 20 0 BHADRN CCCC[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000409956237 191020640 /nfs/dbraw/zinc/02/06/40/191020640.db2.gz MJQHRYGMVFRRAG-ZOBORPQBSA-N 0 0 239.403 3.706 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000409958526 191020823 /nfs/dbraw/zinc/02/08/23/191020823.db2.gz JHXLOQFKBNQNIS-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)C(=O)N(CC1CCC1)C(C)C ZINC000409958527 191020354 /nfs/dbraw/zinc/02/03/54/191020354.db2.gz JHXLOQFKBNQNIS-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1c(C)cccc1OC ZINC000409959461 191020739 /nfs/dbraw/zinc/02/07/39/191020739.db2.gz POVFIJGHCQKFCQ-GFCCVEGCSA-N 0 0 249.354 3.768 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1c(C)cccc1OC ZINC000409959463 191020768 /nfs/dbraw/zinc/02/07/68/191020768.db2.gz POVFIJGHCQKFCQ-LBPRGKRZSA-N 0 0 249.354 3.768 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@@H]1CCC12CCCC2 ZINC000409962313 191020891 /nfs/dbraw/zinc/02/08/91/191020891.db2.gz WGVPIEIDXOXSKH-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@H]1CCC12CCCC2 ZINC000409962316 191020935 /nfs/dbraw/zinc/02/09/35/191020935.db2.gz WGVPIEIDXOXSKH-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H]1CCC12CCCC2 ZINC000409962317 191020296 /nfs/dbraw/zinc/02/02/96/191020296.db2.gz WGVPIEIDXOXSKH-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H]1CCC12CCCC2 ZINC000409962320 191020543 /nfs/dbraw/zinc/02/05/43/191020543.db2.gz WGVPIEIDXOXSKH-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CC)c1ncccc1C ZINC000409963973 191021205 /nfs/dbraw/zinc/02/12/05/191021205.db2.gz ZQYDWLWIMMPPAC-CYBMUJFWSA-N 0 0 248.370 3.569 20 0 BHADRN CCCC[C@H](C)C(=O)N(CC)c1ncccc1C ZINC000409963974 191020938 /nfs/dbraw/zinc/02/09/38/191020938.db2.gz ZQYDWLWIMMPPAC-ZDUSSCGKSA-N 0 0 248.370 3.569 20 0 BHADRN CCCC[C@@H](C)C(=O)NCC1(CC(C)C)CC1 ZINC000409964142 191020418 /nfs/dbraw/zinc/02/04/18/191020418.db2.gz DSJDKMJUAXKYHO-CYBMUJFWSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](C)C(=O)NCC1(CC(C)C)CC1 ZINC000409964144 191021001 /nfs/dbraw/zinc/02/10/01/191021001.db2.gz DSJDKMJUAXKYHO-ZDUSSCGKSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@@H](C)C(=O)N1Cc2ccc(C)cc2C1 ZINC000409964621 191020944 /nfs/dbraw/zinc/02/09/44/191020944.db2.gz MITWSYCCJGOSFN-CYBMUJFWSA-N 0 0 245.366 3.664 20 0 BHADRN CCCC[C@H](C)C(=O)N1Cc2ccc(C)cc2C1 ZINC000409964622 191020626 /nfs/dbraw/zinc/02/06/26/191020626.db2.gz MITWSYCCJGOSFN-ZDUSSCGKSA-N 0 0 245.366 3.664 20 0 BHADRN CCCC[C@@H](C)C(=O)N1Cc2ccccc2[C@H]1C ZINC000409964692 191020292 /nfs/dbraw/zinc/02/02/92/191020292.db2.gz NQJYQBQGXJRXCO-CHWSQXEVSA-N 0 0 245.366 3.916 20 0 BHADRN CCCC[C@@H](C)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000409964693 191020500 /nfs/dbraw/zinc/02/05/00/191020500.db2.gz NQJYQBQGXJRXCO-OLZOCXBDSA-N 0 0 245.366 3.916 20 0 BHADRN CCCC[C@H](C)C(=O)N1Cc2ccccc2[C@H]1C ZINC000409964694 191021011 /nfs/dbraw/zinc/02/10/11/191021011.db2.gz NQJYQBQGXJRXCO-QWHCGFSZSA-N 0 0 245.366 3.916 20 0 BHADRN CCCC[C@H](C)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000409964695 191020725 /nfs/dbraw/zinc/02/07/25/191020725.db2.gz NQJYQBQGXJRXCO-STQMWFEESA-N 0 0 245.366 3.916 20 0 BHADRN CCCC[C@@H](C)C(=O)N(C)C1(C)CCCC1 ZINC000409965207 191021227 /nfs/dbraw/zinc/02/12/27/191021227.db2.gz OJIRLIZCFPWXMB-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)C1(C)CCCC1 ZINC000409965209 191020975 /nfs/dbraw/zinc/02/09/75/191020975.db2.gz OJIRLIZCFPWXMB-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCc2c1cccc2F ZINC000409966014 191020291 /nfs/dbraw/zinc/02/02/91/191020291.db2.gz YJNMYCJJSMCNII-LLVKDONJSA-N 0 0 249.329 3.541 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCc2c1cccc2F ZINC000409966015 191020301 /nfs/dbraw/zinc/02/03/01/191020301.db2.gz YJNMYCJJSMCNII-NSHDSACASA-N 0 0 249.329 3.541 20 0 BHADRN CCCC[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000409966415 191021271 /nfs/dbraw/zinc/02/12/71/191021271.db2.gz UUNAQVPACZEWHH-KBPBESRZSA-N 0 0 247.382 3.733 20 0 BHADRN CCCC[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000409966416 191020867 /nfs/dbraw/zinc/02/08/67/191020867.db2.gz UUNAQVPACZEWHH-KGLIPLIRSA-N 0 0 247.382 3.733 20 0 BHADRN CCCC[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000409966418 191021137 /nfs/dbraw/zinc/02/11/37/191021137.db2.gz UUNAQVPACZEWHH-UONOGXRCSA-N 0 0 247.382 3.733 20 0 BHADRN CCCC[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000409966420 191020977 /nfs/dbraw/zinc/02/09/77/191020977.db2.gz UUNAQVPACZEWHH-ZIAGYGMSSA-N 0 0 247.382 3.733 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000409967453 191020820 /nfs/dbraw/zinc/02/08/20/191020820.db2.gz OYBBDXRHBWEFHO-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000409967454 191020378 /nfs/dbraw/zinc/02/03/78/191020378.db2.gz OYBBDXRHBWEFHO-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H]1CCC[C@H]1CC ZINC000409967455 191020925 /nfs/dbraw/zinc/02/09/25/191020925.db2.gz OYBBDXRHBWEFHO-XQQFMLRXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H]1CCC[C@H]1CC ZINC000409967456 191020594 /nfs/dbraw/zinc/02/05/94/191020594.db2.gz OYBBDXRHBWEFHO-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@@H](C)C(=O)NCC1(CCC)CCC1 ZINC000409967505 191020328 /nfs/dbraw/zinc/02/03/28/191020328.db2.gz PLXJUAPLXXAJLD-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)NCC1(CCC)CCC1 ZINC000409967506 191020431 /nfs/dbraw/zinc/02/04/31/191020431.db2.gz PLXJUAPLXXAJLD-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CC)c1cccnc1C ZINC000409968515 191021019 /nfs/dbraw/zinc/02/10/19/191021019.db2.gz BIUHCEVLACXRNX-GFCCVEGCSA-N 0 0 248.370 3.569 20 0 BHADRN CCCC[C@H](C)C(=O)N(CC)c1cccnc1C ZINC000409968518 191021256 /nfs/dbraw/zinc/02/12/56/191021256.db2.gz BIUHCEVLACXRNX-LBPRGKRZSA-N 0 0 248.370 3.569 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCc2cccc(F)c21 ZINC000409969314 191021179 /nfs/dbraw/zinc/02/11/79/191021179.db2.gz BVYHBUOIYNRAEM-LLVKDONJSA-N 0 0 249.329 3.541 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCc2cccc(F)c21 ZINC000409969315 191020555 /nfs/dbraw/zinc/02/05/55/191020555.db2.gz BVYHBUOIYNRAEM-NSHDSACASA-N 0 0 249.329 3.541 20 0 BHADRN CCCC[C@@H](C)C(=O)NCC1(C2CC2)CCC1 ZINC000409970575 191020880 /nfs/dbraw/zinc/02/08/80/191020880.db2.gz KAXPEMUNPSKLET-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](C)C(=O)NCC1(C2CC2)CCC1 ZINC000409970576 191020503 /nfs/dbraw/zinc/02/05/03/191020503.db2.gz KAXPEMUNPSKLET-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H]1CC2CCC1CC2 ZINC000409972098 191021982 /nfs/dbraw/zinc/02/19/82/191021982.db2.gz RZIKPKGZUJMJLC-ABXWRUBCSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000409972100 191021872 /nfs/dbraw/zinc/02/18/72/191021872.db2.gz RZIKPKGZUJMJLC-BLYZHGLHSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000409972102 191021866 /nfs/dbraw/zinc/02/18/66/191021866.db2.gz RZIKPKGZUJMJLC-GFJIZPEISA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@H]1CC2CCC1CC2 ZINC000409972104 191021637 /nfs/dbraw/zinc/02/16/37/191021637.db2.gz RZIKPKGZUJMJLC-RYSNWHEDSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCC(CC)(CC)C1 ZINC000409972814 191021885 /nfs/dbraw/zinc/02/18/85/191021885.db2.gz XGMZDIROVYEAEA-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCC(CC)(CC)C1 ZINC000409972815 191021887 /nfs/dbraw/zinc/02/18/87/191021887.db2.gz XGMZDIROVYEAEA-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000409975021 191022065 /nfs/dbraw/zinc/02/20/65/191022065.db2.gz ZDDUYKPIFHKFEE-GHMZBOCLSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000409975022 191021570 /nfs/dbraw/zinc/02/15/70/191021570.db2.gz ZDDUYKPIFHKFEE-MNOVXSKESA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000409975023 191021911 /nfs/dbraw/zinc/02/19/11/191021911.db2.gz ZDDUYKPIFHKFEE-QWRGUYRKSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000409975024 191021463 /nfs/dbraw/zinc/02/14/63/191021463.db2.gz ZDDUYKPIFHKFEE-WDEREUQCSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@@H](C)C(=O)NCC1(CC)CCC1 ZINC000409975587 191021741 /nfs/dbraw/zinc/02/17/41/191021741.db2.gz GLMUNDVUIGEGEJ-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC[C@H](C)C(=O)NCC1(CC)CCC1 ZINC000409975591 191021857 /nfs/dbraw/zinc/02/18/57/191021857.db2.gz GLMUNDVUIGEGEJ-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CC)C[C@H](C)CC ZINC000409978032 191021827 /nfs/dbraw/zinc/02/18/27/191021827.db2.gz QPBQBDFHHVWWAW-CHWSQXEVSA-N 0 0 227.392 3.707 20 0 BHADRN CCCC[C@H](C)C(=O)N(CC)C[C@H](C)CC ZINC000409978035 191021791 /nfs/dbraw/zinc/02/17/91/191021791.db2.gz QPBQBDFHHVWWAW-OLZOCXBDSA-N 0 0 227.392 3.707 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CC)C[C@@H](C)CC ZINC000409978036 191021646 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/nfs/dbraw/zinc/02/18/94/191021894.db2.gz CQZQMMUWEKACOI-RWMBFGLXSA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000409981078 191022145 /nfs/dbraw/zinc/02/21/45/191022145.db2.gz CQZQMMUWEKACOI-UPJWGTAASA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@H](C)C(=O)NC1CCC(F)(F)CC1 ZINC000409983423 191021821 /nfs/dbraw/zinc/02/18/21/191021821.db2.gz LVHUSBDEJUQEGE-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@@H](C)C(=O)NC1CCC(F)(F)CC1 ZINC000409983424 191021869 /nfs/dbraw/zinc/02/18/69/191021869.db2.gz LVHUSBDEJUQEGE-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@@H](C)C(=O)NCC1(CCC)CC1 ZINC000409987371 191021668 /nfs/dbraw/zinc/02/16/68/191021668.db2.gz RDSCAKVFVKIMTR-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC[C@H](C)C(=O)NCC1(CCC)CC1 ZINC000409987372 191021563 /nfs/dbraw/zinc/02/15/63/191021563.db2.gz RDSCAKVFVKIMTR-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CC(C)=CCNC(=O)c1cccc(C2CCC2)c1 ZINC000409988371 191022340 /nfs/dbraw/zinc/02/23/40/191022340.db2.gz OMXKAVOMMLKPIN-UHFFFAOYSA-N 0 0 243.350 3.650 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000409988877 191021548 /nfs/dbraw/zinc/02/15/48/191021548.db2.gz YFWMEGBZIGFJCH-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@H]1CCCCC1(C)C ZINC000409988879 191021612 /nfs/dbraw/zinc/02/16/12/191021612.db2.gz YFWMEGBZIGFJCH-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000409988881 191022306 /nfs/dbraw/zinc/02/23/06/191022306.db2.gz YFWMEGBZIGFJCH-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H]1CCCCC1(C)C ZINC000409988883 191021985 /nfs/dbraw/zinc/02/19/85/191021985.db2.gz YFWMEGBZIGFJCH-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](C)C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000409992205 191021854 /nfs/dbraw/zinc/02/18/54/191021854.db2.gz LYBYLCUSIJXDCM-IHRRRGAJSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@H](C)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000409992206 191022143 /nfs/dbraw/zinc/02/21/43/191022143.db2.gz LYBYLCUSIJXDCM-MCIONIFRSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@H](C)C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000409992207 191021567 /nfs/dbraw/zinc/02/15/67/191021567.db2.gz LYBYLCUSIJXDCM-MJBXVCDLSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@H](C)C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000409992208 191022222 /nfs/dbraw/zinc/02/22/22/191022222.db2.gz LYBYLCUSIJXDCM-RDBSUJKOSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@H](C)C(=O)N1[C@@H](C)CC[C@@H]1CC ZINC000409992675 191022061 /nfs/dbraw/zinc/02/20/61/191022061.db2.gz LPEILOYPKZRSQE-AVGNSLFASA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@H](C)C(=O)N1[C@H](CC)CC[C@@H]1C ZINC000409992677 191021507 /nfs/dbraw/zinc/02/15/07/191021507.db2.gz LPEILOYPKZRSQE-RWMBFGLXSA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@H](C)C(=O)N1[C@H](C)CC[C@@H]1CC ZINC000409992679 191022219 /nfs/dbraw/zinc/02/22/19/191022219.db2.gz LPEILOYPKZRSQE-XQQFMLRXSA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@H](C)C(=O)N1[C@H](C)CC[C@H]1CC ZINC000409992681 191021433 /nfs/dbraw/zinc/02/14/33/191021433.db2.gz LPEILOYPKZRSQE-YNEHKIRRSA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCc2cccc(C)c21 ZINC000409993042 191021803 /nfs/dbraw/zinc/02/18/03/191021803.db2.gz NBROVPDKJXWZOB-CYBMUJFWSA-N 0 0 245.366 3.710 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCc2cccc(C)c21 ZINC000409993043 191021937 /nfs/dbraw/zinc/02/19/37/191021937.db2.gz NBROVPDKJXWZOB-ZDUSSCGKSA-N 0 0 245.366 3.710 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cc(C)cc(F)c1 ZINC000409995794 191021939 /nfs/dbraw/zinc/02/19/39/191021939.db2.gz CXLMMHHWIPXYFG-LLVKDONJSA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cc(C)cc(F)c1 ZINC000409995797 191022241 /nfs/dbraw/zinc/02/22/41/191022241.db2.gz CXLMMHHWIPXYFG-NSHDSACASA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000409996609 191022007 /nfs/dbraw/zinc/02/20/07/191022007.db2.gz FKFCSSVDKHVNPD-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000409996610 191021990 /nfs/dbraw/zinc/02/19/90/191021990.db2.gz FKFCSSVDKHVNPD-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@H](C)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000409996611 191021417 /nfs/dbraw/zinc/02/14/17/191021417.db2.gz FKFCSSVDKHVNPD-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000409996612 191021943 /nfs/dbraw/zinc/02/19/43/191021943.db2.gz FKFCSSVDKHVNPD-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@@H](C)C(=O)NCC1(CC)CCCC1 ZINC000409997398 191021469 /nfs/dbraw/zinc/02/14/69/191021469.db2.gz BIZNNPSUFOBOJK-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)NCC1(CC)CCCC1 ZINC000409997399 191021793 /nfs/dbraw/zinc/02/17/93/191021793.db2.gz BIZNNPSUFOBOJK-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@H]1CCCC1(C)C ZINC000409998084 191021860 /nfs/dbraw/zinc/02/18/60/191021860.db2.gz KTJSNKUSOOEJJI-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H]1CCCC1(C)C ZINC000409998086 191022224 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/nfs/dbraw/zinc/02/16/62/191021662.db2.gz FGANEAIUJMDDBY-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc(C)c1F ZINC000410003125 191021908 /nfs/dbraw/zinc/02/19/08/191021908.db2.gz RXAQLWNUYQRCLE-LLVKDONJSA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc(C)c1F ZINC000410003127 191021620 /nfs/dbraw/zinc/02/16/20/191021620.db2.gz RXAQLWNUYQRCLE-NSHDSACASA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CCC)C(C)(C)C ZINC000410003681 191022013 /nfs/dbraw/zinc/02/20/13/191022013.db2.gz UXDVBRSQJAKUET-GFCCVEGCSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@H](C)C(=O)N(CCC)C(C)(C)C ZINC000410003682 191022271 /nfs/dbraw/zinc/02/22/71/191022271.db2.gz UXDVBRSQJAKUET-LBPRGKRZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc(F)c1C ZINC000410007911 191022295 /nfs/dbraw/zinc/02/22/95/191022295.db2.gz YYMIDRMVCQDLTC-JTQLQIEISA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc(F)c1C ZINC000410007912 191021730 /nfs/dbraw/zinc/02/17/30/191021730.db2.gz YYMIDRMVCQDLTC-SNVBAGLBSA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)NC/C=C/c1ccccc1 ZINC000410015310 191021747 /nfs/dbraw/zinc/02/17/47/191021747.db2.gz YSLYBILPCMHFAX-BCNIOPEESA-N 0 0 245.366 3.642 20 0 BHADRN CCCC[C@@H](C)C(=O)NC/C=C/c1ccccc1 ZINC000410015312 191021547 /nfs/dbraw/zinc/02/15/47/191021547.db2.gz YSLYBILPCMHFAX-CEFACKQISA-N 0 0 245.366 3.642 20 0 BHADRN CCCC[C@@H](C)C(=O)NC/C=C\c1ccccc1 ZINC000410015313 191021480 /nfs/dbraw/zinc/02/14/80/191021480.db2.gz YSLYBILPCMHFAX-ICDLMJIXSA-N 0 0 245.366 3.642 20 0 BHADRN CCCC[C@H](C)C(=O)NC/C=C\c1ccccc1 ZINC000410015314 191021955 /nfs/dbraw/zinc/02/19/55/191021955.db2.gz YSLYBILPCMHFAX-UNJUUPHPSA-N 0 0 245.366 3.642 20 0 BHADRN Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C)cc1C ZINC000410030353 191022816 /nfs/dbraw/zinc/02/28/16/191022816.db2.gz OMSNWLCSCGWVMR-BXUZGUMPSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C)cc1C ZINC000410030354 191022913 /nfs/dbraw/zinc/02/29/13/191022913.db2.gz OMSNWLCSCGWVMR-FZMZJTMJSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1ccc(NC(=O)N[C@H]2CCC[C@H]2C)cc1C ZINC000410030355 191022537 /nfs/dbraw/zinc/02/25/37/191022537.db2.gz OMSNWLCSCGWVMR-RISCZKNCSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C)cc1C ZINC000410030356 191022862 /nfs/dbraw/zinc/02/28/62/191022862.db2.gz OMSNWLCSCGWVMR-SMDDNHRTSA-N 0 0 246.354 3.614 20 0 BHADRN CCc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C)cc1 ZINC000410031828 191023029 /nfs/dbraw/zinc/02/30/29/191023029.db2.gz XZBFKRGNIRIMSL-BXUZGUMPSA-N 0 0 246.354 3.559 20 0 BHADRN CCc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C)cc1 ZINC000410031829 191022565 /nfs/dbraw/zinc/02/25/65/191022565.db2.gz XZBFKRGNIRIMSL-FZMZJTMJSA-N 0 0 246.354 3.559 20 0 BHADRN CCc1ccc(NC(=O)N[C@H]2CCC[C@H]2C)cc1 ZINC000410031830 191022600 /nfs/dbraw/zinc/02/26/00/191022600.db2.gz XZBFKRGNIRIMSL-RISCZKNCSA-N 0 0 246.354 3.559 20 0 BHADRN CCc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C)cc1 ZINC000410031831 191023155 /nfs/dbraw/zinc/02/31/55/191023155.db2.gz XZBFKRGNIRIMSL-SMDDNHRTSA-N 0 0 246.354 3.559 20 0 BHADRN Cc1cc(C)cc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000410033440 191022501 /nfs/dbraw/zinc/02/25/01/191022501.db2.gz NXXDOZKZYPVBJG-GXTWGEPZSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1cc(C)cc(NC(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000410033441 191022757 /nfs/dbraw/zinc/02/27/57/191022757.db2.gz NXXDOZKZYPVBJG-JSGCOSHPSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1cc(C)cc(NC(=O)N[C@H]2CCC[C@H]2C)c1 ZINC000410033443 191023006 /nfs/dbraw/zinc/02/30/06/191023006.db2.gz NXXDOZKZYPVBJG-OCCSQVGLSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1cc(C)cc(NC(=O)N[C@@H]2CCC[C@H]2C)c1 ZINC000410033445 191023456 /nfs/dbraw/zinc/02/34/56/191023456.db2.gz NXXDOZKZYPVBJG-TZMCWYRMSA-N 0 0 246.354 3.614 20 0 BHADRN CCC(C)(C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000410035494 191022628 /nfs/dbraw/zinc/02/26/28/191022628.db2.gz AAUJUCDHSRUUEE-CYBMUJFWSA-N 0 0 247.382 3.917 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000410035495 191023334 /nfs/dbraw/zinc/02/33/34/191023334.db2.gz AAUJUCDHSRUUEE-ZDUSSCGKSA-N 0 0 247.382 3.917 20 0 BHADRN CCC(CC)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000410039098 191022649 /nfs/dbraw/zinc/02/26/49/191022649.db2.gz RLFOJHSAVRSPIL-CYBMUJFWSA-N 0 0 247.382 3.917 20 0 BHADRN CCC(CC)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000410039101 191022876 /nfs/dbraw/zinc/02/28/76/191022876.db2.gz RLFOJHSAVRSPIL-ZDUSSCGKSA-N 0 0 247.382 3.917 20 0 BHADRN CC[C@@H](C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000410040098 191023251 /nfs/dbraw/zinc/02/32/51/191023251.db2.gz XBJIXMLKEDVVMO-CHWSQXEVSA-N 0 0 233.355 3.527 20 0 BHADRN CC[C@@H](C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000410040099 191022625 /nfs/dbraw/zinc/02/26/25/191022625.db2.gz XBJIXMLKEDVVMO-OLZOCXBDSA-N 0 0 233.355 3.527 20 0 BHADRN CC[C@H](C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000410040100 191023098 /nfs/dbraw/zinc/02/30/98/191023098.db2.gz XBJIXMLKEDVVMO-QWHCGFSZSA-N 0 0 233.355 3.527 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000410040101 191023574 /nfs/dbraw/zinc/02/35/74/191023574.db2.gz XBJIXMLKEDVVMO-STQMWFEESA-N 0 0 233.355 3.527 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)CC(C)(C)C)c1 ZINC000410041544 191023284 /nfs/dbraw/zinc/02/32/84/191023284.db2.gz ATGZKFZBBIUYPI-CYBMUJFWSA-N 0 0 247.382 3.917 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)CC(C)(C)C)c1 ZINC000410041547 191022795 /nfs/dbraw/zinc/02/27/95/191022795.db2.gz ATGZKFZBBIUYPI-ZDUSSCGKSA-N 0 0 247.382 3.917 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)C2CCCC2)c1 ZINC000410041646 191022682 /nfs/dbraw/zinc/02/26/82/191022682.db2.gz CPXNPRULTBSFAZ-CYBMUJFWSA-N 0 0 245.366 3.671 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)C2CCCC2)c1 ZINC000410041647 191023531 /nfs/dbraw/zinc/02/35/31/191023531.db2.gz CPXNPRULTBSFAZ-ZDUSSCGKSA-N 0 0 245.366 3.671 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)CCC(C)C)c1 ZINC000410041980 191023368 /nfs/dbraw/zinc/02/33/68/191023368.db2.gz BVRSJPHMDBXJHR-AWEZNQCLSA-N 0 0 247.382 3.917 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)CCC(C)C)c1 ZINC000410041981 191022570 /nfs/dbraw/zinc/02/25/70/191022570.db2.gz BVRSJPHMDBXJHR-CQSZACIVSA-N 0 0 247.382 3.917 20 0 BHADRN CCCCC(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000410044197 191022793 /nfs/dbraw/zinc/02/27/93/191022793.db2.gz RPCZUMPKDWREBB-CYBMUJFWSA-N 0 0 233.355 3.671 20 0 BHADRN CCCCC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000410044198 191022713 /nfs/dbraw/zinc/02/27/13/191022713.db2.gz RPCZUMPKDWREBB-ZDUSSCGKSA-N 0 0 233.355 3.671 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000410044736 191022591 /nfs/dbraw/zinc/02/25/91/191022591.db2.gz UDPCCMJWAGFIFW-KBPBESRZSA-N 0 0 247.382 3.917 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000410044737 191023231 /nfs/dbraw/zinc/02/32/31/191023231.db2.gz UDPCCMJWAGFIFW-KGLIPLIRSA-N 0 0 247.382 3.917 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000410044738 191023220 /nfs/dbraw/zinc/02/32/20/191023220.db2.gz UDPCCMJWAGFIFW-UONOGXRCSA-N 0 0 247.382 3.917 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000410044739 191023171 /nfs/dbraw/zinc/02/31/71/191023171.db2.gz UDPCCMJWAGFIFW-ZIAGYGMSSA-N 0 0 247.382 3.917 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)CC(C)C)c1 ZINC000410048908 191022911 /nfs/dbraw/zinc/02/29/11/191022911.db2.gz WOMBWNNLVGQUEL-CYBMUJFWSA-N 0 0 233.355 3.527 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)CC(C)C)c1 ZINC000410048909 191022848 /nfs/dbraw/zinc/02/28/48/191022848.db2.gz WOMBWNNLVGQUEL-ZDUSSCGKSA-N 0 0 233.355 3.527 20 0 BHADRN CCCC(=O)N(C)C1CCC(C(C)(C)C)CC1 ZINC000410066044 191022773 /nfs/dbraw/zinc/02/27/73/191022773.db2.gz MRAFTLHYMVCCOH-UHFFFAOYSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)C(=O)N(C)C1CCC(C(C)(C)C)CC1 ZINC000410066306 191023381 /nfs/dbraw/zinc/02/33/81/191023381.db2.gz NMBAIIKIAFRBER-UHFFFAOYSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCOc1cccc(NC(=O)CC2CC2)c1 ZINC000410067108 191022495 /nfs/dbraw/zinc/02/24/95/191022495.db2.gz JYGLWWHQKQRACK-UHFFFAOYSA-N 0 0 247.338 3.604 20 0 BHADRN CC(C)=CCSc1nc(C)nc2ccccc21 ZINC000410086208 191023582 /nfs/dbraw/zinc/02/35/82/191023582.db2.gz FRMOAOBPQVXSQC-UHFFFAOYSA-N 0 0 244.363 3.997 20 0 BHADRN CCCC[C@@H](C)C(=O)NCC12CCC(CC1)C2 ZINC000410095240 191022492 /nfs/dbraw/zinc/02/24/92/191022492.db2.gz QMUWEWPNAYDZPW-DNOWBOINSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](C)C(=O)NCC12CCC(CC1)C2 ZINC000410095241 191022707 /nfs/dbraw/zinc/02/27/07/191022707.db2.gz QMUWEWPNAYDZPW-OPFPJEHXSA-N 0 0 237.387 3.509 20 0 BHADRN c1ccc(OCCSC2CCCC2)cc1 ZINC000410176896 191025611 /nfs/dbraw/zinc/02/56/11/191025611.db2.gz AAGWIWJTSFBTEN-UHFFFAOYSA-N 0 0 222.353 3.741 20 0 BHADRN CC(C)[C@H](C)C(=O)NCC[C@H](C)c1ccccc1 ZINC000410210134 191025040 /nfs/dbraw/zinc/02/50/40/191025040.db2.gz YNTMSQWUWWWLPY-KBPBESRZSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)[C@H](C)C(=O)NCC[C@@H](C)c1ccccc1 ZINC000410210135 191025770 /nfs/dbraw/zinc/02/57/70/191025770.db2.gz YNTMSQWUWWWLPY-KGLIPLIRSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)[C@@H](C)C(=O)NCC[C@H](C)c1ccccc1 ZINC000410210136 191025496 /nfs/dbraw/zinc/02/54/96/191025496.db2.gz YNTMSQWUWWWLPY-UONOGXRCSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)[C@@H](C)C(=O)NCC[C@@H](C)c1ccccc1 ZINC000410210137 191025414 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ZINC000410258555 191026828 /nfs/dbraw/zinc/02/68/28/191026828.db2.gz QEDOEJHJPVGGBB-XUXIUFHCSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@H]1NC(=O)CC1CCC(C)CC1 ZINC000410263979 191026989 /nfs/dbraw/zinc/02/69/89/191026989.db2.gz ILGYMXSHXYTCQC-FKZOYECMSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@H]1NC(=O)CC1CCC(C)CC1 ZINC000410263980 191026901 /nfs/dbraw/zinc/02/69/01/191026901.db2.gz ILGYMXSHXYTCQC-GNRIBBGQSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H]1NC(=O)CC1CCC(C)CC1 ZINC000410263981 191026797 /nfs/dbraw/zinc/02/67/97/191026797.db2.gz ILGYMXSHXYTCQC-HHTDUIENSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@@H]1NC(=O)CC1CCC(C)CC1 ZINC000410263982 191026220 /nfs/dbraw/zinc/02/62/20/191026220.db2.gz ILGYMXSHXYTCQC-YIOUJQMASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@H]1NC(=O)CCC1CCCCC1 ZINC000410269795 191026337 /nfs/dbraw/zinc/02/63/37/191026337.db2.gz FCYBSDMQCOWKNR-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@@H]1NC(=O)CCC1CCCCC1 ZINC000410269797 191026912 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ZINC000410276602 191026163 /nfs/dbraw/zinc/02/61/63/191026163.db2.gz QROPERPEYCOXII-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@H]1NC(=O)CC1(C)CCCCC1 ZINC000410276948 191026571 /nfs/dbraw/zinc/02/65/71/191026571.db2.gz UFGXCQHVWGLVMA-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H]1NC(=O)CC1(C)CCCCC1 ZINC000410276949 191026284 /nfs/dbraw/zinc/02/62/84/191026284.db2.gz UFGXCQHVWGLVMA-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@H]1NC(=O)CC1(C)CCCCC1 ZINC000410276950 191026952 /nfs/dbraw/zinc/02/69/52/191026952.db2.gz UFGXCQHVWGLVMA-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@@H]1NC(=O)CC1(C)CCCCC1 ZINC000410276951 191026758 /nfs/dbraw/zinc/02/67/58/191026758.db2.gz UFGXCQHVWGLVMA-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]1C ZINC000410277212 191026985 /nfs/dbraw/zinc/02/69/85/191026985.db2.gz WDMNJOCKLASSGB-JHJVBQTASA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1C ZINC000410277213 191026707 /nfs/dbraw/zinc/02/67/07/191026707.db2.gz WDMNJOCKLASSGB-UPJWGTAASA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@H]1CCC[C@@H]1C ZINC000410277214 191026830 /nfs/dbraw/zinc/02/68/30/191026830.db2.gz WDMNJOCKLASSGB-XQQFMLRXSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000410277215 191026713 /nfs/dbraw/zinc/02/67/13/191026713.db2.gz WDMNJOCKLASSGB-YNEHKIRRSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H]1CCC[C@H]1NC(=O)CCCC1CCCC1 ZINC000410280200 191026313 /nfs/dbraw/zinc/02/63/13/191026313.db2.gz VMBPBXWGAIYAHC-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@@H]1NC(=O)CCCC1CCCC1 ZINC000410280201 191026599 /nfs/dbraw/zinc/02/65/99/191026599.db2.gz VMBPBXWGAIYAHC-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H]1NC(=O)CCCC1CCCC1 ZINC000410280202 191026070 /nfs/dbraw/zinc/02/60/70/191026070.db2.gz VMBPBXWGAIYAHC-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@H]1NC(=O)CCCC1CCCC1 ZINC000410280203 191026700 /nfs/dbraw/zinc/02/67/00/191026700.db2.gz VMBPBXWGAIYAHC-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@H]1NC(=O)CC1CCCCCC1 ZINC000410290890 191026143 /nfs/dbraw/zinc/02/61/43/191026143.db2.gz SQDYQMFTOLMEJE-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@@H]1NC(=O)CC1CCCCCC1 ZINC000410290892 191026857 /nfs/dbraw/zinc/02/68/57/191026857.db2.gz SQDYQMFTOLMEJE-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H]1NC(=O)CC1CCCCCC1 ZINC000410290893 191028161 /nfs/dbraw/zinc/02/81/61/191028161.db2.gz SQDYQMFTOLMEJE-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@H]1NC(=O)CC1CCCCCC1 ZINC000410290895 191027580 /nfs/dbraw/zinc/02/75/80/191027580.db2.gz SQDYQMFTOLMEJE-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN CCCc1ccc(C(=O)N[C@H]2CCC[C@H]2C)cc1 ZINC000410291509 191027116 /nfs/dbraw/zinc/02/71/16/191027116.db2.gz YMFUFAPWLXGPMP-DOMZBBRYSA-N 0 0 245.366 3.558 20 0 BHADRN CCCc1ccc(C(=O)N[C@@H]2CCC[C@H]2C)cc1 ZINC000410291510 191028118 /nfs/dbraw/zinc/02/81/18/191028118.db2.gz YMFUFAPWLXGPMP-IUODEOHRSA-N 0 0 245.366 3.558 20 0 BHADRN CCCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C)cc1 ZINC000410291511 191028325 /nfs/dbraw/zinc/02/83/25/191028325.db2.gz YMFUFAPWLXGPMP-SWLSCSKDSA-N 0 0 245.366 3.558 20 0 BHADRN CCCc1ccc(C(=O)N[C@H]2CCC[C@@H]2C)cc1 ZINC000410291512 191027349 /nfs/dbraw/zinc/02/73/49/191027349.db2.gz YMFUFAPWLXGPMP-WFASDCNBSA-N 0 0 245.366 3.558 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@H]1CCC[C@H]1C ZINC000410292942 191026910 /nfs/dbraw/zinc/02/69/10/191026910.db2.gz TZMDNBIFRXBZAV-AGIUHOORSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@@H]1CCC[C@H]1C ZINC000410292944 191026632 /nfs/dbraw/zinc/02/66/32/191026632.db2.gz TZMDNBIFRXBZAV-FRRDWIJNSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@H]1C ZINC000410299246 191027863 /nfs/dbraw/zinc/02/78/63/191027863.db2.gz GPOSWSACXVXAMA-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000410299247 191027362 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/nfs/dbraw/zinc/02/80/11/191028011.db2.gz RPDDQWMRQRLOEW-RDBSUJKOSA-N 0 0 239.403 3.898 20 0 BHADRN CN(CCCCC1CCOCC1)c1ccccc1 ZINC000410312987 191027910 /nfs/dbraw/zinc/02/79/10/191027910.db2.gz IQIIZYJJDRCSOO-UHFFFAOYSA-N 0 0 247.382 3.720 20 0 BHADRN CCN(C[C@@H](C)CC(C)C)CC(F)(F)F ZINC000410373241 191029232 /nfs/dbraw/zinc/02/92/32/191029232.db2.gz KMRPDMWXTQJVKO-JTQLQIEISA-N 0 0 225.298 3.553 20 0 BHADRN CCN(C[C@H](C)CC(C)C)CC(F)(F)F ZINC000410373246 191028730 /nfs/dbraw/zinc/02/87/30/191028730.db2.gz KMRPDMWXTQJVKO-SNVBAGLBSA-N 0 0 225.298 3.553 20 0 BHADRN CC(C)(C)CCCN(CC(F)F)C1CC1 ZINC000410374489 191028717 /nfs/dbraw/zinc/02/87/17/191028717.db2.gz ZKXLLHSIWZJCHF-UHFFFAOYSA-N 0 0 219.319 3.542 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@H]2CC2(C)C)cc1 ZINC000410375274 191029285 /nfs/dbraw/zinc/02/92/85/191029285.db2.gz PLFCKEDFJRSCBP-CYBMUJFWSA-N 0 0 231.339 3.795 20 0 BHADRN CCN(CCCC(C)(C)C)CC(F)(F)F ZINC000410377102 191028545 /nfs/dbraw/zinc/02/85/45/191028545.db2.gz ZNWNMCREIXWUFR-UHFFFAOYSA-N 0 0 225.298 3.697 20 0 BHADRN CCN(CCCCOC)c1ccccc1Cl ZINC000410384349 191028727 /nfs/dbraw/zinc/02/87/27/191028727.db2.gz UKJXQARKXWYHKM-UHFFFAOYSA-N 0 0 241.762 3.593 20 0 BHADRN CCCC(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC000410413569 191028704 /nfs/dbraw/zinc/02/87/04/191028704.db2.gz KMJRFXQTPAHGSC-UHFFFAOYSA-N 0 0 248.713 3.627 20 0 BHADRN CC(C)N(CCCC(C)(C)C)CC(F)F ZINC000410414067 191028560 /nfs/dbraw/zinc/02/85/60/191028560.db2.gz PIICRVUUBASJIM-UHFFFAOYSA-N 0 0 221.335 3.788 20 0 BHADRN CC(C)C[C@@H](C)CN(CC(F)F)C(C)C ZINC000410415689 191028535 /nfs/dbraw/zinc/02/85/35/191028535.db2.gz WSRKUKHDBKXRJD-LLVKDONJSA-N 0 0 221.335 3.644 20 0 BHADRN CC(C)C[C@H](C)CN(CC(F)F)C(C)C ZINC000410415691 191028637 /nfs/dbraw/zinc/02/86/37/191028637.db2.gz WSRKUKHDBKXRJD-NSHDSACASA-N 0 0 221.335 3.644 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N(C(C)C)C(C)C ZINC000410430726 191042993 /nfs/dbraw/zinc/04/29/93/191042993.db2.gz CSOHDEKMBSIKSL-CYBMUJFWSA-N 0 0 227.392 3.704 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N(C(C)C)C(C)C ZINC000410430731 191042482 /nfs/dbraw/zinc/04/24/82/191042482.db2.gz CSOHDEKMBSIKSL-ZDUSSCGKSA-N 0 0 227.392 3.704 20 0 BHADRN CCCC(CCC)C(=O)NC1(C)CCCC1 ZINC000410431350 191043373 /nfs/dbraw/zinc/04/33/73/191043373.db2.gz FDJHHTFEHMKORW-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H]1CCC[C@@H]1C(=O)N(C(C)C)C(C)C ZINC000410436510 191043637 /nfs/dbraw/zinc/04/36/37/191043637.db2.gz HTFVNAUJBLNHGJ-KBPBESRZSA-N 0 0 239.403 3.848 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1C(=O)N(C(C)C)C(C)C ZINC000410436518 191044467 /nfs/dbraw/zinc/04/44/67/191044467.db2.gz HTFVNAUJBLNHGJ-KGLIPLIRSA-N 0 0 239.403 3.848 20 0 BHADRN CCC[C@H]1CCC[C@H]1C(=O)N(C(C)C)C(C)C ZINC000410436520 191044087 /nfs/dbraw/zinc/04/40/87/191044087.db2.gz HTFVNAUJBLNHGJ-UONOGXRCSA-N 0 0 239.403 3.848 20 0 BHADRN CCC[C@@H]1CCC[C@H]1C(=O)N(C(C)C)C(C)C ZINC000410436524 191044410 /nfs/dbraw/zinc/04/44/10/191044410.db2.gz HTFVNAUJBLNHGJ-ZIAGYGMSSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)N(C(=O)C1CC(C(C)(C)C)C1)C(C)C ZINC000410444493 191044441 /nfs/dbraw/zinc/04/44/41/191044441.db2.gz IDFZJVHAKOIZQG-UHFFFAOYSA-N 0 0 239.403 3.704 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)C(C)C ZINC000410445005 191044019 /nfs/dbraw/zinc/04/40/19/191044019.db2.gz OTJHLKSFFSESLG-HZSPNIEDSA-N 0 0 239.403 3.704 20 0 BHADRN CC(C)N(C(=O)[C@H]1CC[C@@H](C)[C@H](C)C1)C(C)C ZINC000410445007 191044114 /nfs/dbraw/zinc/04/41/14/191044114.db2.gz OTJHLKSFFSESLG-MCIONIFRSA-N 0 0 239.403 3.704 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)C(C)C ZINC000410445009 191044121 /nfs/dbraw/zinc/04/41/21/191044121.db2.gz OTJHLKSFFSESLG-MGPQQGTHSA-N 0 0 239.403 3.704 20 0 BHADRN CC(C)N(C(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1)C(C)C ZINC000410445013 191044076 /nfs/dbraw/zinc/04/40/76/191044076.db2.gz OTJHLKSFFSESLG-RDBSUJKOSA-N 0 0 239.403 3.704 20 0 BHADRN CCCC(CCC)C(=O)N(CC)c1cccnc1 ZINC000410446608 191043969 /nfs/dbraw/zinc/04/39/69/191043969.db2.gz KYUGZYCNTWZWBM-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CC[C@H](CC(C)C)C(=O)NC1(C)CCCC1 ZINC000410447785 191044081 /nfs/dbraw/zinc/04/40/81/191044081.db2.gz MVDWMQVFHONVKH-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)NC1(C)CCCC1 ZINC000410447790 191043659 /nfs/dbraw/zinc/04/36/59/191043659.db2.gz MVDWMQVFHONVKH-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(CCC)C(=O)N(CCC)C1CC1 ZINC000410449973 191043972 /nfs/dbraw/zinc/04/39/72/191043972.db2.gz UAHNSTQQRHGCPG-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CC(C)CCCCC(=O)N(C(C)C)C(C)C ZINC000410451701 191044427 /nfs/dbraw/zinc/04/44/27/191044427.db2.gz RXCGZRPZVZDLJS-UHFFFAOYSA-N 0 0 227.392 3.848 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N(CC)c1cccnc1 ZINC000410453660 191044429 /nfs/dbraw/zinc/04/44/29/191044429.db2.gz SHSBQWQTTDWTQV-CYBMUJFWSA-N 0 0 248.370 3.507 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N(CC)c1cccnc1 ZINC000410453662 191043784 /nfs/dbraw/zinc/04/37/84/191043784.db2.gz SHSBQWQTTDWTQV-ZDUSSCGKSA-N 0 0 248.370 3.507 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)N(c1ccccc1C)C(C)C ZINC000410458937 191043693 /nfs/dbraw/zinc/04/36/93/191043693.db2.gz KTEYZQLGWPHIMB-ZIAGYGMSSA-N 0 0 245.366 3.783 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N(CC)c1ccncc1 ZINC000410464757 191044360 /nfs/dbraw/zinc/04/43/60/191044360.db2.gz DFWNPXYSJOKPIH-CYBMUJFWSA-N 0 0 248.370 3.507 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N(CC)c1ccncc1 ZINC000410464758 191044048 /nfs/dbraw/zinc/04/40/48/191044048.db2.gz DFWNPXYSJOKPIH-ZDUSSCGKSA-N 0 0 248.370 3.507 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N(C)c1cccnc1 ZINC000410471050 191043490 /nfs/dbraw/zinc/04/34/90/191043490.db2.gz GGXNVNFLNMJIPA-CYBMUJFWSA-N 0 0 248.370 3.507 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N(C)c1cccnc1 ZINC000410471054 191043559 /nfs/dbraw/zinc/04/35/59/191043559.db2.gz GGXNVNFLNMJIPA-ZDUSSCGKSA-N 0 0 248.370 3.507 20 0 BHADRN CCCC(CCC)C(=O)N(C)C(C)(C)CC ZINC000410476363 191043957 /nfs/dbraw/zinc/04/39/57/191043957.db2.gz LCQDSPSTZUUNAY-UHFFFAOYSA-N 0 0 227.392 3.850 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N(C)C(C)(C)CC ZINC000410480066 191045171 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XMNNFRVGWBZFDC-UHFFFAOYSA-N 0 0 248.370 3.655 20 0 BHADRN C[C@H](C1CCC1)N(C)C(=O)C(C)(C)C(C)(C)C ZINC000410656589 386453399 /nfs/dbraw/zinc/45/33/99/386453399.db2.gz JRISORRSAOUDLH-LLVKDONJSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](C1CCC1)N(C)C(=O)C(C)(C)C(C)(C)C ZINC000410656592 386453670 /nfs/dbraw/zinc/45/36/70/386453670.db2.gz JRISORRSAOUDLH-NSHDSACASA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1[C@H](CC)CC[C@@H]1C ZINC000410658272 191145923 /nfs/dbraw/zinc/14/59/23/191145923.db2.gz BATIDIMGHOVSID-BFHYXJOUSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1[C@H](C)CC[C@@H]1CC ZINC000410658277 191146040 /nfs/dbraw/zinc/14/60/40/191146040.db2.gz BATIDIMGHOVSID-MCIONIFRSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1[C@H](C)CC[C@H]1CC ZINC000410658280 191146021 /nfs/dbraw/zinc/14/60/21/191146021.db2.gz BATIDIMGHOVSID-MGPQQGTHSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1[C@@H](C)CC[C@@H]1CC ZINC000410658282 191146057 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CC[C@H](C)N(C(=O)[C@H](C)C(C)(F)F)[C@@H](C)CC ZINC000410688519 191146408 /nfs/dbraw/zinc/14/64/08/191146408.db2.gz PXBGHEGRUNHQTQ-DCAQKATOSA-N 0 0 249.345 3.703 20 0 BHADRN CC[C@H](C)N(C(=O)[C@@H](C)C(C)(F)F)[C@@H](C)CC ZINC000410688520 191146579 /nfs/dbraw/zinc/14/65/79/191146579.db2.gz PXBGHEGRUNHQTQ-GARJFASQSA-N 0 0 249.345 3.703 20 0 BHADRN CC[C@@H](C)N(C(=O)[C@@H](C)C(C)(F)F)[C@@H](C)CC ZINC000410688521 191146468 /nfs/dbraw/zinc/14/64/68/191146468.db2.gz PXBGHEGRUNHQTQ-OUAUKWLOSA-N 0 0 249.345 3.703 20 0 BHADRN Cc1cc(N(C)C(=O)CCCCC(C)C)ccn1 ZINC000410701276 537953676 /nfs/dbraw/zinc/95/36/76/537953676.db2.gz VAISYEQJHPCYAA-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N1CCCC1(C)C ZINC000410719908 191146890 /nfs/dbraw/zinc/14/68/90/191146890.db2.gz PLCQIFMTCLZYJI-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N1CCCC1(C)C ZINC000410719909 191146878 /nfs/dbraw/zinc/14/68/78/191146878.db2.gz PLCQIFMTCLZYJI-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC(CCC)C(=O)N1CCCC1(C)C ZINC000410721222 191147001 /nfs/dbraw/zinc/14/70/01/191147001.db2.gz VTTQZXLQNAWDKF-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000410746834 386588877 /nfs/dbraw/zinc/58/88/77/386588877.db2.gz JVGQVBYMASEKSA-CTASWTNQSA-N 0 0 249.398 3.626 20 0 BHADRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000410746836 386586937 /nfs/dbraw/zinc/58/69/37/386586937.db2.gz JVGQVBYMASEKSA-HLPPOEQASA-N 0 0 249.398 3.626 20 0 BHADRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000410746838 386587547 /nfs/dbraw/zinc/58/75/47/386587547.db2.gz JVGQVBYMASEKSA-HOSILWTGSA-N 0 0 249.398 3.626 20 0 BHADRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000410746840 386588802 /nfs/dbraw/zinc/58/88/02/386588802.db2.gz JVGQVBYMASEKSA-ORIJERBGSA-N 0 0 249.398 3.626 20 0 BHADRN CC(C)CCCC(=O)Nc1cccc2ocnc21 ZINC000410751362 398162890 /nfs/dbraw/zinc/16/28/90/398162890.db2.gz WJKUNDTUICJWOM-UHFFFAOYSA-N 0 0 246.310 3.593 20 0 BHADRN Cc1cccnc1N(C)C(=O)CCCCC(C)C ZINC000410802516 191147543 /nfs/dbraw/zinc/14/75/43/191147543.db2.gz ZPCCJMLEPIOSJW-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CCN(C(=O)CCCC(C)C)c1cccnc1C ZINC000410809378 191147774 /nfs/dbraw/zinc/14/77/74/191147774.db2.gz GJCGWRWVPGWPHC-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CCN(C(=O)CCCC(C)C)c1ncccc1C ZINC000410818501 323121066 /nfs/dbraw/zinc/12/10/66/323121066.db2.gz NNTVKLABKHDUFK-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN Cc1ccc(N(C)C(=O)CCCCC(C)C)nc1 ZINC000410871374 191150328 /nfs/dbraw/zinc/15/03/28/191150328.db2.gz RBLLDUBARCIGMQ-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C(C)(C)C(C)(F)F ZINC000410876915 191150306 /nfs/dbraw/zinc/15/03/06/191150306.db2.gz ABRVPXVCKOKWID-JTQLQIEISA-N 0 0 249.345 3.705 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)C(C)(C)C(C)(F)F ZINC000410876918 191150561 /nfs/dbraw/zinc/15/05/61/191150561.db2.gz ABRVPXVCKOKWID-SNVBAGLBSA-N 0 0 249.345 3.705 20 0 BHADRN 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/nfs/dbraw/zinc/15/63/70/191156370.db2.gz LLNQCBQXXTVKFA-NSHDSACASA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@H](NC(=O)C(C1CC1)C1CC1)C1CCCC1 ZINC000411075834 191156169 /nfs/dbraw/zinc/15/61/69/191156169.db2.gz YIAZJFBYGFHKII-AWEZNQCLSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H](NC(=O)C(C1CC1)C1CC1)C1CCCC1 ZINC000411075836 191157131 /nfs/dbraw/zinc/15/71/31/191157131.db2.gz YIAZJFBYGFHKII-CQSZACIVSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1[C@H](C)CCC1(C)C ZINC000411077741 191157030 /nfs/dbraw/zinc/15/70/30/191157030.db2.gz VTNAZVBXRJHUOO-CHWSQXEVSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1[C@H](C)CCC1(C)C ZINC000411077743 191157162 /nfs/dbraw/zinc/15/71/62/191157162.db2.gz VTNAZVBXRJHUOO-OLZOCXBDSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411077744 191156861 /nfs/dbraw/zinc/15/68/61/191156861.db2.gz VTNAZVBXRJHUOO-QWHCGFSZSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411077745 191156838 /nfs/dbraw/zinc/15/68/38/191156838.db2.gz VTNAZVBXRJHUOO-STQMWFEESA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](C)CCC(=O)N1[C@@H](C)CCC1(C)C ZINC000411077943 191156866 /nfs/dbraw/zinc/15/68/66/191156866.db2.gz WFEMPYJOAAOLKN-NEPJUHHUSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H](C)CCC(=O)N1[C@H](C)CCC1(C)C ZINC000411077944 191157529 /nfs/dbraw/zinc/15/75/29/191157529.db2.gz WFEMPYJOAAOLKN-NWDGAFQWSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H](C)CCC(=O)N1[C@@H](C)CCC1(C)C ZINC000411077945 191157331 /nfs/dbraw/zinc/15/73/31/191157331.db2.gz WFEMPYJOAAOLKN-RYUDHWBXSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@@H](C)CCC(=O)N1[C@H](C)CCC1(C)C ZINC000411077946 191157459 /nfs/dbraw/zinc/15/74/59/191157459.db2.gz WFEMPYJOAAOLKN-VXGBXAGGSA-N 0 0 225.376 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@H]1CC2CCC1CC2 ZINC000411078284 191157197 /nfs/dbraw/zinc/15/71/97/191157197.db2.gz XFHNTJYUOKLXEN-ABXWRUBCSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1CC2CCC1CC2 ZINC000411078285 191157603 /nfs/dbraw/zinc/15/76/03/191157603.db2.gz XFHNTJYUOKLXEN-BLYZHGLHSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1CC2CCC1CC2 ZINC000411078286 191157170 /nfs/dbraw/zinc/15/71/70/191157170.db2.gz XFHNTJYUOKLXEN-GFJIZPEISA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1CC2CCC1CC2 ZINC000411078287 191157590 /nfs/dbraw/zinc/15/75/90/191157590.db2.gz XFHNTJYUOKLXEN-RYSNWHEDSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)CC1(C)CCCC1 ZINC000411078496 191157298 /nfs/dbraw/zinc/15/72/98/191157298.db2.gz XVINQHMKMRLOTL-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)CC1(C)CCCC1 ZINC000411078501 191157637 /nfs/dbraw/zinc/15/76/37/191157637.db2.gz XVINQHMKMRLOTL-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)CC1CC(C)(C)C1 ZINC000411078650 191156993 /nfs/dbraw/zinc/15/69/93/191156993.db2.gz YJWFADQIONOQMR-LLVKDONJSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)CC1CC(C)(C)C1 ZINC000411078651 191157151 /nfs/dbraw/zinc/15/71/51/191157151.db2.gz YJWFADQIONOQMR-NSHDSACASA-N 0 0 237.387 3.602 20 0 BHADRN CCc1ccccc1C(=O)N1[C@H](C)CCC1(C)C ZINC000411080588 191156967 /nfs/dbraw/zinc/15/69/67/191156967.db2.gz BPYAQEZPYKCZAA-GFCCVEGCSA-N 0 0 245.366 3.652 20 0 BHADRN CCc1ccccc1C(=O)N1[C@@H](C)CCC1(C)C ZINC000411080589 191157411 /nfs/dbraw/zinc/15/74/11/191157411.db2.gz BPYAQEZPYKCZAA-LBPRGKRZSA-N 0 0 245.366 3.652 20 0 BHADRN Cc1cccc(C(=O)N2[C@H](C)CCC2(C)C)c1F ZINC000411080603 191157640 /nfs/dbraw/zinc/15/76/40/191157640.db2.gz BRVLZOFECLATJG-LLVKDONJSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1cccc(C(=O)N2[C@@H](C)CCC2(C)C)c1F ZINC000411080604 191157655 /nfs/dbraw/zinc/15/76/55/191157655.db2.gz BRVLZOFECLATJG-NSHDSACASA-N 0 0 249.329 3.537 20 0 BHADRN C[C@@H](C(=O)N1[C@H](C)CCC1(C)C)c1ccccc1 ZINC000411080611 191157156 /nfs/dbraw/zinc/15/71/56/191157156.db2.gz BULSREOWVSBMCE-CHWSQXEVSA-N 0 0 245.366 3.580 20 0 BHADRN C[C@H](C(=O)N1[C@H](C)CCC1(C)C)c1ccccc1 ZINC000411080612 191157651 /nfs/dbraw/zinc/15/76/51/191157651.db2.gz BULSREOWVSBMCE-OLZOCXBDSA-N 0 0 245.366 3.580 20 0 BHADRN C[C@@H](C(=O)N1[C@@H](C)CCC1(C)C)c1ccccc1 ZINC000411080613 191156926 /nfs/dbraw/zinc/15/69/26/191156926.db2.gz BULSREOWVSBMCE-QWHCGFSZSA-N 0 0 245.366 3.580 20 0 BHADRN C[C@H](C(=O)N1[C@@H](C)CCC1(C)C)c1ccccc1 ZINC000411080614 191157302 /nfs/dbraw/zinc/15/73/02/191157302.db2.gz BULSREOWVSBMCE-STQMWFEESA-N 0 0 245.366 3.580 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)C[C@@H]1C=CCCC1 ZINC000411080897 191157021 /nfs/dbraw/zinc/15/70/21/191157021.db2.gz CGKPBQNBWSFKIP-CHWSQXEVSA-N 0 0 235.371 3.522 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)C[C@H]1C=CCCC1 ZINC000411080898 191156965 /nfs/dbraw/zinc/15/69/65/191156965.db2.gz CGKPBQNBWSFKIP-OLZOCXBDSA-N 0 0 235.371 3.522 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)C[C@@H]1C=CCCC1 ZINC000411080899 191156876 /nfs/dbraw/zinc/15/68/76/191156876.db2.gz CGKPBQNBWSFKIP-QWHCGFSZSA-N 0 0 235.371 3.522 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)C[C@H]1C=CCCC1 ZINC000411080900 191157195 /nfs/dbraw/zinc/15/71/95/191157195.db2.gz CGKPBQNBWSFKIP-STQMWFEESA-N 0 0 235.371 3.522 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411080923 191157018 /nfs/dbraw/zinc/15/70/18/191157018.db2.gz CJWOWAMYMNXZPR-AGIUHOORSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411080924 191157235 /nfs/dbraw/zinc/15/72/35/191157235.db2.gz CJWOWAMYMNXZPR-FRRDWIJNSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)N1[C@H](C)CCC1(C)C ZINC000411080925 191157534 /nfs/dbraw/zinc/15/75/34/191157534.db2.gz CJWOWAMYMNXZPR-JHJVBQTASA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)N1[C@H](C)CCC1(C)C ZINC000411080926 191157648 /nfs/dbraw/zinc/15/76/48/191157648.db2.gz CJWOWAMYMNXZPR-UPJWGTAASA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1CC12CCCCC2 ZINC000411081227 191157323 /nfs/dbraw/zinc/15/73/23/191157323.db2.gz DBAGVHGKZHFWOH-CHWSQXEVSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1CC12CCCCC2 ZINC000411081228 191156948 /nfs/dbraw/zinc/15/69/48/191156948.db2.gz DBAGVHGKZHFWOH-OLZOCXBDSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@H]1CC12CCCCC2 ZINC000411081229 191157611 /nfs/dbraw/zinc/15/76/11/191157611.db2.gz DBAGVHGKZHFWOH-QWHCGFSZSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1CC12CCCCC2 ZINC000411081415 191157557 /nfs/dbraw/zinc/15/75/57/191157557.db2.gz DBAGVHGKZHFWOH-STQMWFEESA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1CCCC1(C)C ZINC000411081720 191157444 /nfs/dbraw/zinc/15/74/44/191157444.db2.gz DSWHCKWCIVZVGT-NEPJUHHUSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@H]1CCCC1(C)C ZINC000411081721 191156891 /nfs/dbraw/zinc/15/68/91/191156891.db2.gz DSWHCKWCIVZVGT-NWDGAFQWSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1CCCC1(C)C ZINC000411081723 191157227 /nfs/dbraw/zinc/15/72/27/191157227.db2.gz DSWHCKWCIVZVGT-RYUDHWBXSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1CCCC1(C)C ZINC000411081725 191157128 /nfs/dbraw/zinc/15/71/28/191157128.db2.gz DSWHCKWCIVZVGT-VXGBXAGGSA-N 0 0 237.387 3.602 20 0 BHADRN Cc1cc(F)cc(C(=O)N2[C@H](C)CCC2(C)C)c1 ZINC000411081777 191157633 /nfs/dbraw/zinc/15/76/33/191157633.db2.gz DVDGJBSOTRHXHA-LLVKDONJSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1cc(F)cc(C(=O)N2[C@@H](C)CCC2(C)C)c1 ZINC000411081779 191157098 /nfs/dbraw/zinc/15/70/98/191157098.db2.gz DVDGJBSOTRHXHA-NSHDSACASA-N 0 0 249.329 3.537 20 0 BHADRN Cc1cc(F)ccc1C(=O)N1[C@H](C)CCC1(C)C ZINC000411082457 191157241 /nfs/dbraw/zinc/15/72/41/191157241.db2.gz FVJPCLQJLVOXSL-LLVKDONJSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1cc(F)ccc1C(=O)N1[C@@H](C)CCC1(C)C ZINC000411082458 191156952 /nfs/dbraw/zinc/15/69/52/191156952.db2.gz FVJPCLQJLVOXSL-NSHDSACASA-N 0 0 249.329 3.537 20 0 BHADRN CCCc1occc1C(=O)N1[C@H](C)CCC1(C)C ZINC000411082885 191157049 /nfs/dbraw/zinc/15/70/49/191157049.db2.gz GJHRXXXIPFQQMT-LLVKDONJSA-N 0 0 249.354 3.635 20 0 BHADRN CCCc1occc1C(=O)N1[C@@H](C)CCC1(C)C ZINC000411082891 191156881 /nfs/dbraw/zinc/15/68/81/191156881.db2.gz GJHRXXXIPFQQMT-NSHDSACASA-N 0 0 249.354 3.635 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)CC1CCCCC1 ZINC000411082895 191157034 /nfs/dbraw/zinc/15/70/34/191157034.db2.gz GJTJVVFYQRHBGY-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)CC1CCCCC1 ZINC000411082896 191157032 /nfs/dbraw/zinc/15/70/32/191157032.db2.gz GJTJVVFYQRHBGY-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN C[C@H](CC(=O)N1[C@@H](C)CCC1(C)C)C(C)(C)C ZINC000411083007 191157645 /nfs/dbraw/zinc/15/76/45/191157645.db2.gz GQYRWBZKCHMIGJ-NEPJUHHUSA-N 0 0 239.403 3.848 20 0 BHADRN C[C@@H](CC(=O)N1[C@H](C)CCC1(C)C)C(C)(C)C ZINC000411083009 191157059 /nfs/dbraw/zinc/15/70/59/191157059.db2.gz GQYRWBZKCHMIGJ-NWDGAFQWSA-N 0 0 239.403 3.848 20 0 BHADRN C[C@@H](CC(=O)N1[C@@H](C)CCC1(C)C)C(C)(C)C ZINC000411083011 191157366 /nfs/dbraw/zinc/15/73/66/191157366.db2.gz GQYRWBZKCHMIGJ-RYUDHWBXSA-N 0 0 239.403 3.848 20 0 BHADRN C[C@H](CC(=O)N1[C@H](C)CCC1(C)C)C(C)(C)C ZINC000411083014 191156885 /nfs/dbraw/zinc/15/68/85/191156885.db2.gz GQYRWBZKCHMIGJ-VXGBXAGGSA-N 0 0 239.403 3.848 20 0 BHADRN CCC(=O)N(CC(C)C)c1ccccc1Cl ZINC000411083143 191156849 /nfs/dbraw/zinc/15/68/49/191156849.db2.gz CSEKONGLZLQKAC-UHFFFAOYSA-N 0 0 239.746 3.739 20 0 BHADRN Cc1ccc(C)c(C(=O)N2[C@H](C)CCC2(C)C)c1 ZINC000411083680 191157422 /nfs/dbraw/zinc/15/74/22/191157422.db2.gz HMJVZDPAIISILB-CYBMUJFWSA-N 0 0 245.366 3.707 20 0 BHADRN Cc1ccc(C)c(C(=O)N2[C@@H](C)CCC2(C)C)c1 ZINC000411083681 191156946 /nfs/dbraw/zinc/15/69/46/191156946.db2.gz HMJVZDPAIISILB-ZDUSSCGKSA-N 0 0 245.366 3.707 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N1[C@H](C)CCC1(C)C ZINC000411084260 191157618 /nfs/dbraw/zinc/15/76/18/191157618.db2.gz IUOCGNRUAXFTRP-CHWSQXEVSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411084262 191157363 /nfs/dbraw/zinc/15/73/63/191157363.db2.gz IUOCGNRUAXFTRP-OLZOCXBDSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)C[C@H](C)CC(=O)N1[C@H](C)CCC1(C)C ZINC000411084266 191157487 /nfs/dbraw/zinc/15/74/87/191157487.db2.gz IUOCGNRUAXFTRP-QWHCGFSZSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)C[C@H](C)CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411084268 191156940 /nfs/dbraw/zinc/15/69/40/191156940.db2.gz IUOCGNRUAXFTRP-STQMWFEESA-N 0 0 239.403 3.848 20 0 BHADRN CCCC(C)(C)CC(=O)N1[C@H](C)CCC1(C)C ZINC000411084399 191157265 /nfs/dbraw/zinc/15/72/65/191157265.db2.gz JCRYTXVASSQNKQ-GFCCVEGCSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC(C)(C)CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411084401 191156853 /nfs/dbraw/zinc/15/68/53/191156853.db2.gz JCRYTXVASSQNKQ-LBPRGKRZSA-N 0 0 239.403 3.992 20 0 BHADRN Cc1ccc(C(=O)N2[C@H](C)CCC2(C)C)c(C)c1 ZINC000411084589 191157465 /nfs/dbraw/zinc/15/74/65/191157465.db2.gz JMAMWTFKHRIDTC-CYBMUJFWSA-N 0 0 245.366 3.707 20 0 BHADRN Cc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)c(C)c1 ZINC000411084591 191157522 /nfs/dbraw/zinc/15/75/22/191157522.db2.gz JMAMWTFKHRIDTC-ZDUSSCGKSA-N 0 0 245.366 3.707 20 0 BHADRN C[C@@H]1CC[C@H](CC(=O)N2[C@@H](C)CCC2(C)C)C1 ZINC000411085136 191157105 /nfs/dbraw/zinc/15/71/05/191157105.db2.gz KGVWVJMQHWNTFK-AGIUHOORSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CC[C@@H](CC(=O)N2[C@@H](C)CCC2(C)C)C1 ZINC000411085137 191157177 /nfs/dbraw/zinc/15/71/77/191157177.db2.gz KGVWVJMQHWNTFK-FRRDWIJNSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CC[C@@H](CC(=O)N2[C@H](C)CCC2(C)C)C1 ZINC000411085138 191157089 /nfs/dbraw/zinc/15/70/89/191157089.db2.gz KGVWVJMQHWNTFK-JHJVBQTASA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CC[C@H](CC(=O)N2[C@H](C)CCC2(C)C)C1 ZINC000411085140 191157330 /nfs/dbraw/zinc/15/73/30/191157330.db2.gz KGVWVJMQHWNTFK-UPJWGTAASA-N 0 0 237.387 3.602 20 0 BHADRN CCC(CC)CC(=O)N1[C@H](C)CCC1(C)C ZINC000411085409 191157057 /nfs/dbraw/zinc/15/70/57/191157057.db2.gz KSUZWFUPPADEOK-LLVKDONJSA-N 0 0 225.376 3.602 20 0 BHADRN CCC(CC)CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411085411 191156979 /nfs/dbraw/zinc/15/69/79/191156979.db2.gz KSUZWFUPPADEOK-NSHDSACASA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@@H](C)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411085412 191157585 /nfs/dbraw/zinc/15/75/85/191157585.db2.gz KTECEONTTFSFOY-NEPJUHHUSA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@H](C)C(=O)N1[C@H](C)CCC1(C)C ZINC000411085413 191157233 /nfs/dbraw/zinc/15/72/33/191157233.db2.gz KTECEONTTFSFOY-NWDGAFQWSA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@H](C)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411085414 191157075 /nfs/dbraw/zinc/15/70/75/191157075.db2.gz KTECEONTTFSFOY-RYUDHWBXSA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@@H](C)C(=O)N1[C@H](C)CCC1(C)C ZINC000411085416 191156924 /nfs/dbraw/zinc/15/69/24/191156924.db2.gz KTECEONTTFSFOY-VXGBXAGGSA-N 0 0 225.376 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)CCC(C)(C)C ZINC000411086322 191157462 /nfs/dbraw/zinc/15/74/62/191157462.db2.gz MGBZVPSFCJFZAX-LLVKDONJSA-N 0 0 225.376 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)CCC(C)(C)C ZINC000411086323 191156932 /nfs/dbraw/zinc/15/69/32/191156932.db2.gz MGBZVPSFCJFZAX-NSHDSACASA-N 0 0 225.376 3.602 20 0 BHADRN Cc1cc(C)cc(C(=O)N2[C@H](C)CCC2(C)C)c1 ZINC000411087105 191157819 /nfs/dbraw/zinc/15/78/19/191157819.db2.gz OCEFGGHPCYDIJN-CYBMUJFWSA-N 0 0 245.366 3.707 20 0 BHADRN Cc1cc(C)cc(C(=O)N2[C@@H](C)CCC2(C)C)c1 ZINC000411087106 191157835 /nfs/dbraw/zinc/15/78/35/191157835.db2.gz OCEFGGHPCYDIJN-ZDUSSCGKSA-N 0 0 245.366 3.707 20 0 BHADRN CCc1oc(C(=O)N2[C@H](C)CCC2(C)C)cc1C ZINC000411087108 191158007 /nfs/dbraw/zinc/15/80/07/191158007.db2.gz OCLMGRCWGPUGSQ-LLVKDONJSA-N 0 0 249.354 3.554 20 0 BHADRN CCc1oc(C(=O)N2[C@@H](C)CCC2(C)C)cc1C ZINC000411087109 191157963 /nfs/dbraw/zinc/15/79/63/191157963.db2.gz OCLMGRCWGPUGSQ-NSHDSACASA-N 0 0 249.354 3.554 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)CCCC(C)(C)C ZINC000411087455 191156990 /nfs/dbraw/zinc/15/69/90/191156990.db2.gz OJWMSORLFVZMSY-GFCCVEGCSA-N 0 0 239.403 3.992 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)CCCC(C)(C)C ZINC000411087456 191157318 /nfs/dbraw/zinc/15/73/18/191157318.db2.gz OJWMSORLFVZMSY-LBPRGKRZSA-N 0 0 239.403 3.992 20 0 BHADRN Cc1ccc(C(=O)N2[C@H](C)CCC2(C)C)cc1C ZINC000411087923 191157825 /nfs/dbraw/zinc/15/78/25/191157825.db2.gz OXDHIICUCKKMJP-CYBMUJFWSA-N 0 0 245.366 3.707 20 0 BHADRN Cc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)cc1C ZINC000411087926 191158004 /nfs/dbraw/zinc/15/80/04/191158004.db2.gz OXDHIICUCKKMJP-ZDUSSCGKSA-N 0 0 245.366 3.707 20 0 BHADRN C=Cc1ccc(C(=O)N2[C@H](C)CCC2(C)C)cc1 ZINC000411087957 191157874 /nfs/dbraw/zinc/15/78/74/191157874.db2.gz OZIYAMPUOMEGLA-GFCCVEGCSA-N 0 0 243.350 3.733 20 0 BHADRN C=Cc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)cc1 ZINC000411087960 191157945 /nfs/dbraw/zinc/15/79/45/191157945.db2.gz OZIYAMPUOMEGLA-LBPRGKRZSA-N 0 0 243.350 3.733 20 0 BHADRN Cc1ccc(C(=O)N2[C@H](C)CCC2(C)C)cc1F ZINC000411089609 191158360 /nfs/dbraw/zinc/15/83/60/191158360.db2.gz RIMKXFBZLQRMOY-LLVKDONJSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)cc1F ZINC000411089612 191158419 /nfs/dbraw/zinc/15/84/19/191158419.db2.gz RIMKXFBZLQRMOY-NSHDSACASA-N 0 0 249.329 3.537 20 0 BHADRN CCCCC(=O)N1CCCc2ccc(F)c(C)c21 ZINC000411089651 191159101 /nfs/dbraw/zinc/15/91/01/191159101.db2.gz XDGCUENCIMLODP-UHFFFAOYSA-N 0 0 249.329 3.604 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)C1CCCCCC1 ZINC000411090153 191158678 /nfs/dbraw/zinc/15/86/78/191158678.db2.gz SDQCFFSORCZRJB-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)C1CCCCCC1 ZINC000411090155 191158987 /nfs/dbraw/zinc/15/89/87/191158987.db2.gz SDQCFFSORCZRJB-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN CC(C)c1ccoc1C(=O)N1[C@H](C)CCC1(C)C ZINC000411090548 191158634 /nfs/dbraw/zinc/15/86/34/191158634.db2.gz SJUSHSZUMZDFOB-LLVKDONJSA-N 0 0 249.354 3.806 20 0 BHADRN CC(C)c1ccoc1C(=O)N1[C@@H](C)CCC1(C)C ZINC000411090550 191158659 /nfs/dbraw/zinc/15/86/59/191158659.db2.gz SJUSHSZUMZDFOB-NSHDSACASA-N 0 0 249.354 3.806 20 0 BHADRN CCCC(CCC)C(=O)N1[C@H](C)CCC1(C)C ZINC000411090632 191159284 /nfs/dbraw/zinc/15/92/84/191159284.db2.gz SRHCYCXYRPBDCL-GFCCVEGCSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC(CCC)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411090634 191159001 /nfs/dbraw/zinc/15/90/01/191159001.db2.gz SRHCYCXYRPBDCL-LBPRGKRZSA-N 0 0 239.403 3.992 20 0 BHADRN Cc1cc(C(=O)N2[C@H](C)CCC2(C)C)ccc1F ZINC000411091105 191158737 /nfs/dbraw/zinc/15/87/37/191158737.db2.gz TURMQIPSMMOALX-LLVKDONJSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1cc(C(=O)N2[C@@H](C)CCC2(C)C)ccc1F ZINC000411091107 191159078 /nfs/dbraw/zinc/15/90/78/191159078.db2.gz TURMQIPSMMOALX-NSHDSACASA-N 0 0 249.329 3.537 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411091209 191159296 /nfs/dbraw/zinc/15/92/96/191159296.db2.gz UGOFVILVKLJYAD-NEPJUHHUSA-N 0 0 239.403 3.848 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1[C@H](C)CCC1(C)C ZINC000411091211 191158645 /nfs/dbraw/zinc/15/86/45/191158645.db2.gz UGOFVILVKLJYAD-NWDGAFQWSA-N 0 0 239.403 3.848 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411091212 191158892 /nfs/dbraw/zinc/15/88/92/191158892.db2.gz UGOFVILVKLJYAD-RYUDHWBXSA-N 0 0 239.403 3.848 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1[C@H](C)CCC1(C)C ZINC000411091214 191159020 /nfs/dbraw/zinc/15/90/20/191159020.db2.gz UGOFVILVKLJYAD-VXGBXAGGSA-N 0 0 239.403 3.848 20 0 BHADRN CCc1cc(C)c(C(=O)N2[C@H](C)CCC2(C)C)o1 ZINC000411091311 191159230 /nfs/dbraw/zinc/15/92/30/191159230.db2.gz ULLMUCWUXNVBOB-LLVKDONJSA-N 0 0 249.354 3.554 20 0 BHADRN CCc1cc(C)c(C(=O)N2[C@@H](C)CCC2(C)C)o1 ZINC000411091315 191158967 /nfs/dbraw/zinc/15/89/67/191158967.db2.gz ULLMUCWUXNVBOB-NSHDSACASA-N 0 0 249.354 3.554 20 0 BHADRN CCCCC(=O)N1CCCc2ccc(C)c(F)c21 ZINC000411091466 191158412 /nfs/dbraw/zinc/15/84/12/191158412.db2.gz JPYCVBQMCVBOHN-UHFFFAOYSA-N 0 0 249.329 3.604 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000411091774 191158310 /nfs/dbraw/zinc/15/83/10/191158310.db2.gz VAMCEKGPEIBRQM-AGIUHOORSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000411091776 191159157 /nfs/dbraw/zinc/15/91/57/191159157.db2.gz VAMCEKGPEIBRQM-FRRDWIJNSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000411091777 191158842 /nfs/dbraw/zinc/15/88/42/191158842.db2.gz VAMCEKGPEIBRQM-JHJVBQTASA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000411091779 191159118 /nfs/dbraw/zinc/15/91/18/191159118.db2.gz VAMCEKGPEIBRQM-UPJWGTAASA-N 0 0 237.387 3.602 20 0 BHADRN CCC(C)(C)CC(=O)N1[C@H](C)CCC1(C)C ZINC000411092267 191158415 /nfs/dbraw/zinc/15/84/15/191158415.db2.gz VMSSKDQUROZMDL-LLVKDONJSA-N 0 0 225.376 3.602 20 0 BHADRN CCC(C)(C)CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411092269 191158773 /nfs/dbraw/zinc/15/87/73/191158773.db2.gz VMSSKDQUROZMDL-NSHDSACASA-N 0 0 225.376 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)CC1=CCCCC1 ZINC000411092650 191158975 /nfs/dbraw/zinc/15/89/75/191158975.db2.gz VYVPAVUGCMAVHR-GFCCVEGCSA-N 0 0 235.371 3.666 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)CC1=CCCCC1 ZINC000411092652 191158485 /nfs/dbraw/zinc/15/84/85/191158485.db2.gz VYVPAVUGCMAVHR-LBPRGKRZSA-N 0 0 235.371 3.666 20 0 BHADRN CC[C@H](CC(=O)N1[C@H](C)CCC1(C)C)C(C)C ZINC000411093086 191159032 /nfs/dbraw/zinc/15/90/32/191159032.db2.gz WDIKUWQTBITRJY-CHWSQXEVSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](CC(=O)N1[C@H](C)CCC1(C)C)C(C)C ZINC000411093087 191158699 /nfs/dbraw/zinc/15/86/99/191158699.db2.gz WDIKUWQTBITRJY-OLZOCXBDSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](CC(=O)N1[C@@H](C)CCC1(C)C)C(C)C ZINC000411093088 191158825 /nfs/dbraw/zinc/15/88/25/191158825.db2.gz WDIKUWQTBITRJY-QWHCGFSZSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](CC(=O)N1[C@@H](C)CCC1(C)C)C(C)C ZINC000411093089 191158681 /nfs/dbraw/zinc/15/86/81/191158681.db2.gz WDIKUWQTBITRJY-STQMWFEESA-N 0 0 239.403 3.848 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1[C@H](C)CCC1(C)C ZINC000411093100 191158785 /nfs/dbraw/zinc/15/87/85/191158785.db2.gz WENOGWAJFZNOQU-NEPJUHHUSA-N 0 0 239.403 3.848 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411093101 191158627 /nfs/dbraw/zinc/15/86/27/191158627.db2.gz WENOGWAJFZNOQU-NWDGAFQWSA-N 0 0 239.403 3.848 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411093102 191158667 /nfs/dbraw/zinc/15/86/67/191158667.db2.gz WENOGWAJFZNOQU-RYUDHWBXSA-N 0 0 239.403 3.848 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N1[C@H](C)CCC1(C)C ZINC000411093103 191158616 /nfs/dbraw/zinc/15/86/16/191158616.db2.gz WENOGWAJFZNOQU-VXGBXAGGSA-N 0 0 239.403 3.848 20 0 BHADRN CCC[C@@H](C)CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411093150 191159236 /nfs/dbraw/zinc/15/92/36/191159236.db2.gz WLWXAUUBIHDUAD-NEPJUHHUSA-N 0 0 225.376 3.602 20 0 BHADRN CCC[C@H](C)CC(=O)N1[C@H](C)CCC1(C)C ZINC000411093151 191158990 /nfs/dbraw/zinc/15/89/90/191158990.db2.gz WLWXAUUBIHDUAD-NWDGAFQWSA-N 0 0 225.376 3.602 20 0 BHADRN CCC[C@H](C)CC(=O)N1[C@@H](C)CCC1(C)C ZINC000411093152 191159164 /nfs/dbraw/zinc/15/91/64/191159164.db2.gz WLWXAUUBIHDUAD-RYUDHWBXSA-N 0 0 225.376 3.602 20 0 BHADRN CCC[C@@H](C)CC(=O)N1[C@H](C)CCC1(C)C ZINC000411093153 191159153 /nfs/dbraw/zinc/15/91/53/191159153.db2.gz WLWXAUUBIHDUAD-VXGBXAGGSA-N 0 0 225.376 3.602 20 0 BHADRN CCc1ccc(C(=O)N2[C@H](C)CCC2(C)C)cc1 ZINC000411093823 191158365 /nfs/dbraw/zinc/15/83/65/191158365.db2.gz XARZOELKAYFIKW-GFCCVEGCSA-N 0 0 245.366 3.652 20 0 BHADRN CCc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)cc1 ZINC000411093824 191159024 /nfs/dbraw/zinc/15/90/24/191159024.db2.gz XARZOELKAYFIKW-LBPRGKRZSA-N 0 0 245.366 3.652 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1CCC(C)(C)C1 ZINC000411094365 191158952 /nfs/dbraw/zinc/15/89/52/191158952.db2.gz XIFTVJWCKXJSOJ-NEPJUHHUSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1CCC(C)(C)C1 ZINC000411094366 191158671 /nfs/dbraw/zinc/15/86/71/191158671.db2.gz XIFTVJWCKXJSOJ-NWDGAFQWSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@H]1CCC(C)(C)C1 ZINC000411094367 191159155 /nfs/dbraw/zinc/15/91/55/191159155.db2.gz XIFTVJWCKXJSOJ-RYUDHWBXSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1CCC(C)(C)C1 ZINC000411094368 191158539 /nfs/dbraw/zinc/15/85/39/191158539.db2.gz XIFTVJWCKXJSOJ-VXGBXAGGSA-N 0 0 237.387 3.602 20 0 BHADRN Cc1ccc(F)cc1C(=O)N1[C@H](C)CCC1(C)C ZINC000411094990 191158507 /nfs/dbraw/zinc/15/85/07/191158507.db2.gz YAEKFAHOVPNFCS-LLVKDONJSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1ccc(F)cc1C(=O)N1[C@@H](C)CCC1(C)C ZINC000411094991 191159278 /nfs/dbraw/zinc/15/92/78/191159278.db2.gz YAEKFAHOVPNFCS-NSHDSACASA-N 0 0 249.329 3.537 20 0 BHADRN Cc1ccc(C(=O)N2[C@H](C)CCC2(C)C)c(F)c1 ZINC000411095863 191158920 /nfs/dbraw/zinc/15/89/20/191158920.db2.gz YWYHPTDOXMKJIX-LLVKDONJSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)c(F)c1 ZINC000411095864 191159245 /nfs/dbraw/zinc/15/92/45/191159245.db2.gz YWYHPTDOXMKJIX-NSHDSACASA-N 0 0 249.329 3.537 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1[C@H](C)CCC1(C)C ZINC000411095897 191159066 /nfs/dbraw/zinc/15/90/66/191159066.db2.gz ZBIUSLFDELPSRS-CHWSQXEVSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC[C@H](CC)C(=O)N1[C@H](C)CCC1(C)C ZINC000411095898 191159282 /nfs/dbraw/zinc/15/92/82/191159282.db2.gz ZBIUSLFDELPSRS-OLZOCXBDSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411095899 191158630 /nfs/dbraw/zinc/15/86/30/191158630.db2.gz ZBIUSLFDELPSRS-QWHCGFSZSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC[C@H](CC)C(=O)N1[C@@H](C)CCC1(C)C ZINC000411095900 191158481 /nfs/dbraw/zinc/15/84/81/191158481.db2.gz ZBIUSLFDELPSRS-STQMWFEESA-N 0 0 239.403 3.992 20 0 BHADRN Cc1cccc(C(=O)N2[C@H](C)CCC2(C)C)c1C ZINC000411096457 191159274 /nfs/dbraw/zinc/15/92/74/191159274.db2.gz ZIPILJXBEPJEBY-GFCCVEGCSA-N 0 0 245.366 3.707 20 0 BHADRN Cc1cccc(C(=O)N2[C@@H](C)CCC2(C)C)c1C ZINC000411096458 191159239 /nfs/dbraw/zinc/15/92/39/191159239.db2.gz ZIPILJXBEPJEBY-LBPRGKRZSA-N 0 0 245.366 3.707 20 0 BHADRN Cc1ccc(F)c(C(=O)N2[C@H](C)CCC2(C)C)c1 ZINC000411096502 191159112 /nfs/dbraw/zinc/15/91/12/191159112.db2.gz ZNGLMTPKLLUDDW-LLVKDONJSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1ccc(F)c(C(=O)N2[C@@H](C)CCC2(C)C)c1 ZINC000411096503 191158556 /nfs/dbraw/zinc/15/85/56/191158556.db2.gz ZNGLMTPKLLUDDW-NSHDSACASA-N 0 0 249.329 3.537 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)CCC1CCCC1 ZINC000411096540 191158711 /nfs/dbraw/zinc/15/87/11/191158711.db2.gz ZSFBWXYYFDGIMD-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)CCC1CCCC1 ZINC000411096542 191158550 /nfs/dbraw/zinc/15/85/50/191158550.db2.gz ZSFBWXYYFDGIMD-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN CCCC(CCC)C(=O)N[C@@]1(C)CC=CCC1 ZINC000411116801 191161458 /nfs/dbraw/zinc/16/14/58/191161458.db2.gz XGPAEVXDCDOPEY-HNNXBMFYSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC(CCC)C(=O)N[C@]1(C)CC=CCC1 ZINC000411116802 191161195 /nfs/dbraw/zinc/16/11/95/191161195.db2.gz XGPAEVXDCDOPEY-OAHLLOKOSA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N[C@]1(C)CC=CCC1 ZINC000411117415 191162136 /nfs/dbraw/zinc/16/21/36/191162136.db2.gz ZNMAXVANZPILLU-DZGCQCFKSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N[C@@]1(C)CC=CCC1 ZINC000411117416 191161801 /nfs/dbraw/zinc/16/18/01/191161801.db2.gz ZNMAXVANZPILLU-HIFRSBDPSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N[C@]1(C)CC=CCC1 ZINC000411117417 191161503 /nfs/dbraw/zinc/16/15/03/191161503.db2.gz ZNMAXVANZPILLU-UKRRQHHQSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N[C@@]1(C)CC=CCC1 ZINC000411117418 191162403 /nfs/dbraw/zinc/16/24/03/191162403.db2.gz ZNMAXVANZPILLU-ZFWWWQNUSA-N 0 0 237.387 3.674 20 0 BHADRN CCC[C@@H](NC(=O)C1(C)CCC1)C1CCCC1 ZINC000411121287 191160601 /nfs/dbraw/zinc/16/06/01/191160601.db2.gz KFWDWRNTZSFSHL-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@H](NC(=O)C1(C)CCC1)C1CCCC1 ZINC000411121288 191159879 /nfs/dbraw/zinc/15/98/79/191159879.db2.gz KFWDWRNTZSFSHL-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@@H](NC(=O)C(C)(C)C)C1CCCC1 ZINC000411123975 191160731 /nfs/dbraw/zinc/16/07/31/191160731.db2.gz USRADXULUDMIIJ-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](NC(=O)C(C)(C)C)C1CCCC1 ZINC000411123976 191160405 /nfs/dbraw/zinc/16/04/05/191160405.db2.gz USRADXULUDMIIJ-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](NC(=O)C1(CC)CC1)C1CCCC1 ZINC000411125074 191160434 /nfs/dbraw/zinc/16/04/34/191160434.db2.gz YFYGPOVZQGKLLP-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@H](NC(=O)C1(CC)CC1)C1CCCC1 ZINC000411125075 191160525 /nfs/dbraw/zinc/16/05/25/191160525.db2.gz YFYGPOVZQGKLLP-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)CC(F)F)c(C)c1 ZINC000411127149 191162154 /nfs/dbraw/zinc/16/21/54/191162154.db2.gz BYMAGFVEYUXHRC-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)CC(F)F)c(C)c1 ZINC000411127155 191161465 /nfs/dbraw/zinc/16/14/65/191161465.db2.gz BYMAGFVEYUXHRC-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN CC(C)(CC(F)F)C(=O)NC1CCCCCC1 ZINC000411129185 191161483 /nfs/dbraw/zinc/16/14/83/191161483.db2.gz BKBAEQOIURYPEE-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)CC(F)F)cc1C ZINC000411131908 191161966 /nfs/dbraw/zinc/16/19/66/191161966.db2.gz JVRNJYYGMCFETB-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)CC(F)F)cc1C ZINC000411131909 191161424 /nfs/dbraw/zinc/16/14/24/191161424.db2.gz JVRNJYYGMCFETB-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN Cc1cccc(NC(=O)C(C)(C)CC(F)F)c1 ZINC000411132154 191161854 /nfs/dbraw/zinc/16/18/54/191161854.db2.gz KWBOXMXPWPGREJ-UHFFFAOYSA-N 0 0 241.281 3.615 20 0 BHADRN Cc1cccc(NC(=O)[C@H](C)CC(F)F)c1C ZINC000411141021 191163498 /nfs/dbraw/zinc/16/34/98/191163498.db2.gz YAKOESWMIMOPEL-SECBINFHSA-N 0 0 241.281 3.533 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](C)CC(F)F)c1C ZINC000411141022 191162746 /nfs/dbraw/zinc/16/27/46/191162746.db2.gz YAKOESWMIMOPEL-VIFPVBQESA-N 0 0 241.281 3.533 20 0 BHADRN Cc1ccc(NC(=O)C(C)(C)CC(F)F)cc1 ZINC000411143260 191163377 /nfs/dbraw/zinc/16/33/77/191163377.db2.gz HPKBSJHTFIVMBX-UHFFFAOYSA-N 0 0 241.281 3.615 20 0 BHADRN CC[C@@H](C)NC(=O)c1ccc(C)c2ccccc12 ZINC000411144429 191162762 /nfs/dbraw/zinc/16/27/62/191162762.db2.gz TYGFGYQNEQMYQQ-GFCCVEGCSA-N 0 0 241.334 3.677 20 0 BHADRN CC[C@H](C)NC(=O)c1ccc(C)c2ccccc12 ZINC000411144433 191162558 /nfs/dbraw/zinc/16/25/58/191162558.db2.gz TYGFGYQNEQMYQQ-LBPRGKRZSA-N 0 0 241.334 3.677 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H](C)CC(F)F)c1 ZINC000411163864 191165885 /nfs/dbraw/zinc/16/58/85/191165885.db2.gz GNTQFRASYNMOAA-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@H](C)CC(F)F)c1 ZINC000411163865 191166542 /nfs/dbraw/zinc/16/65/42/191166542.db2.gz GNTQFRASYNMOAA-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN Cc1ccc(C(=O)NCC(C)C)c2ccccc12 ZINC000411165738 191165774 /nfs/dbraw/zinc/16/57/74/191165774.db2.gz KOAINUPCKRCTSI-UHFFFAOYSA-N 0 0 241.334 3.534 20 0 BHADRN Cc1ccc(C(=O)N(C)C(C)C)c2ccccc12 ZINC000411235613 191172502 /nfs/dbraw/zinc/17/25/02/191172502.db2.gz AAAUHXCCKZGNNC-UHFFFAOYSA-N 0 0 241.334 3.629 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)C(C)(C)CC(F)F ZINC000411257360 191173239 /nfs/dbraw/zinc/17/32/39/191173239.db2.gz MOCZHFQGKRYERG-JTQLQIEISA-N 0 0 249.345 3.609 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)C(C)(C)CC(F)F ZINC000411257363 191173091 /nfs/dbraw/zinc/17/30/91/191173091.db2.gz MOCZHFQGKRYERG-SNVBAGLBSA-N 0 0 249.345 3.609 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)[C@H](C)CC(F)F ZINC000411260304 191172039 /nfs/dbraw/zinc/17/20/39/191172039.db2.gz QGIIYZIAXYOUJW-GHMZBOCLSA-N 0 0 249.345 3.609 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@H](C)CC(F)F ZINC000411260307 191173168 /nfs/dbraw/zinc/17/31/68/191173168.db2.gz QGIIYZIAXYOUJW-MNOVXSKESA-N 0 0 249.345 3.609 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@@H](C)CC(F)F ZINC000411260311 191172269 /nfs/dbraw/zinc/17/22/69/191172269.db2.gz QGIIYZIAXYOUJW-QWRGUYRKSA-N 0 0 249.345 3.609 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)[C@@H](C)CC(F)F ZINC000411260313 191172300 /nfs/dbraw/zinc/17/23/00/191172300.db2.gz QGIIYZIAXYOUJW-WDEREUQCSA-N 0 0 249.345 3.609 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)[C@H](C)CC(F)F ZINC000411305669 191177795 /nfs/dbraw/zinc/17/77/95/191177795.db2.gz FCLSLDYWAKWTIU-GHMZBOCLSA-N 0 0 249.345 3.610 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@H](C)CC(F)F ZINC000411305670 191177434 /nfs/dbraw/zinc/17/74/34/191177434.db2.gz FCLSLDYWAKWTIU-MNOVXSKESA-N 0 0 249.345 3.610 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@@H](C)CC(F)F ZINC000411305671 191177803 /nfs/dbraw/zinc/17/78/03/191177803.db2.gz FCLSLDYWAKWTIU-QWRGUYRKSA-N 0 0 249.345 3.610 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)[C@@H](C)CC(F)F ZINC000411305672 191177927 /nfs/dbraw/zinc/17/79/27/191177927.db2.gz FCLSLDYWAKWTIU-WDEREUQCSA-N 0 0 249.345 3.610 20 0 BHADRN CCCCN(CCCC)C(=O)[C@H](C)CC(F)F ZINC000411407401 191184625 /nfs/dbraw/zinc/18/46/25/191184625.db2.gz LLCQQVYSJKFTTK-LLVKDONJSA-N 0 0 249.345 3.707 20 0 BHADRN CCCCN(CCCC)C(=O)[C@@H](C)CC(F)F ZINC000411407402 191185000 /nfs/dbraw/zinc/18/50/00/191185000.db2.gz LLCQQVYSJKFTTK-NSHDSACASA-N 0 0 249.345 3.707 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@@H](C)CC(F)F ZINC000411413070 191183623 /nfs/dbraw/zinc/18/36/23/191183623.db2.gz YOLVDGLKEWZREK-JTQLQIEISA-N 0 0 249.345 3.562 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@H](C)CC(F)F ZINC000411413071 191182841 /nfs/dbraw/zinc/18/28/41/191182841.db2.gz YOLVDGLKEWZREK-SNVBAGLBSA-N 0 0 249.345 3.562 20 0 BHADRN CCCN(C)C(=O)c1ccc(C)c2ccccc12 ZINC000411745700 191209428 /nfs/dbraw/zinc/20/94/28/191209428.db2.gz WBHKQTGCFQRMTH-UHFFFAOYSA-N 0 0 241.334 3.630 20 0 BHADRN C[C@H]1C[C@@H]1N(Cc1nccs1)c1ccccc1 ZINC000411928188 191233311 /nfs/dbraw/zinc/23/33/11/191233311.db2.gz UORGKXSDZFNFRE-AAEUAGOBSA-N 0 0 244.363 3.558 20 0 BHADRN C[C@@H]1C[C@H]1N(Cc1nccs1)c1ccccc1 ZINC000411928196 191232908 /nfs/dbraw/zinc/23/29/08/191232908.db2.gz UORGKXSDZFNFRE-DGCLKSJQSA-N 0 0 244.363 3.558 20 0 BHADRN C[C@H]1C[C@H]1N(Cc1nccs1)c1ccccc1 ZINC000411928198 191233536 /nfs/dbraw/zinc/23/35/36/191233536.db2.gz UORGKXSDZFNFRE-WCQYABFASA-N 0 0 244.363 3.558 20 0 BHADRN C[C@@H]1C[C@@H]1N(Cc1nccs1)c1ccccc1 ZINC000411928200 191233230 /nfs/dbraw/zinc/23/32/30/191233230.db2.gz UORGKXSDZFNFRE-YPMHNXCESA-N 0 0 244.363 3.558 20 0 BHADRN CC/C=C\CCN1Cc2ccc(C(C)=O)cc2C1 ZINC000411929828 191229250 /nfs/dbraw/zinc/22/92/50/191229250.db2.gz AIODWIFEUCNXCH-PLNGDYQASA-N 0 0 243.350 3.561 20 0 BHADRN CC/C=C/CCN1Cc2ccc(C(C)=O)cc2C1 ZINC000411929830 191229419 /nfs/dbraw/zinc/22/94/19/191229419.db2.gz AIODWIFEUCNXCH-SNAWJCMRSA-N 0 0 243.350 3.561 20 0 BHADRN C[C@@H](CC(F)F)C(=O)NCCCCC(C)(C)C ZINC000412009476 191242950 /nfs/dbraw/zinc/24/29/50/191242950.db2.gz HCNQRULHDPQFRZ-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN C[C@H](CC(F)F)C(=O)NCCCCC(C)(C)C ZINC000412009477 191242677 /nfs/dbraw/zinc/24/26/77/191242677.db2.gz HCNQRULHDPQFRZ-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN C[C@H](CCC(C)(C)C)NC(=O)[C@H](C)CC(F)F ZINC000412122323 191263220 /nfs/dbraw/zinc/26/32/20/191263220.db2.gz IBNGFUHLDCBJQQ-NXEZZACHSA-N 0 0 249.345 3.609 20 0 BHADRN C[C@@H](CCC(C)(C)C)NC(=O)[C@@H](C)CC(F)F ZINC000412122324 191263525 /nfs/dbraw/zinc/26/35/25/191263525.db2.gz IBNGFUHLDCBJQQ-UWVGGRQHSA-N 0 0 249.345 3.609 20 0 BHADRN C[C@H](CCC(C)(C)C)NC(=O)[C@@H](C)CC(F)F ZINC000412122325 191263743 /nfs/dbraw/zinc/26/37/43/191263743.db2.gz IBNGFUHLDCBJQQ-VHSXEESVSA-N 0 0 249.345 3.609 20 0 BHADRN C[C@H](CC(F)F)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000412122326 191263520 /nfs/dbraw/zinc/26/35/20/191263520.db2.gz IBNGFUHLDCBJQQ-ZJUUUORDSA-N 0 0 249.345 3.609 20 0 BHADRN CC(C)Cc1c[nH]c(C(=O)Nc2ccsc2)c1 ZINC000412141993 191263140 /nfs/dbraw/zinc/26/31/40/191263140.db2.gz ZMTNXEMYZHDGNI-UHFFFAOYSA-N 0 0 248.351 3.527 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)C(C)(C)CC(F)F ZINC000412145118 191265252 /nfs/dbraw/zinc/26/52/52/191265252.db2.gz HZPHRKDYFQYXEZ-NXEZZACHSA-N 0 0 249.345 3.609 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C(C)(C)CC(F)F ZINC000412145120 191265200 /nfs/dbraw/zinc/26/52/00/191265200.db2.gz HZPHRKDYFQYXEZ-UWVGGRQHSA-N 0 0 249.345 3.609 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C(C)(C)CC(F)F ZINC000412145121 191265178 /nfs/dbraw/zinc/26/51/78/191265178.db2.gz HZPHRKDYFQYXEZ-VHSXEESVSA-N 0 0 249.345 3.609 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)C(C)(C)CC(F)F ZINC000412145123 191265634 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ZINC000412959881 385817428 /nfs/dbraw/zinc/81/74/28/385817428.db2.gz CFHSJDPKEPBHJM-UHFFFAOYSA-N 0 0 241.281 3.648 20 0 BHADRN CCCCCC(=O)Nc1ccc(F)c(F)c1C ZINC000412959882 385817910 /nfs/dbraw/zinc/81/79/10/385817910.db2.gz CFIMMPUKJTUCSR-UHFFFAOYSA-N 0 0 241.281 3.792 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc(F)c(F)c1C ZINC000412961020 385817074 /nfs/dbraw/zinc/81/70/74/385817074.db2.gz GLXIVTVWDHVZEL-MRVPVSSYSA-N 0 0 241.281 3.648 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc(F)c(F)c1C ZINC000412961021 385818088 /nfs/dbraw/zinc/81/80/88/385818088.db2.gz GLXIVTVWDHVZEL-QMMMGPOBSA-N 0 0 241.281 3.648 20 0 BHADRN Cc1c(NC(=O)CC(C)(C)C)ccc(F)c1F ZINC000412962800 205754295 /nfs/dbraw/zinc/75/42/95/205754295.db2.gz MEMSAPLCRWTHNX-UHFFFAOYSA-N 0 0 241.281 3.648 20 0 BHADRN Cc1c(NC(=O)[C@H](C)C(C)C)ccc(F)c1F ZINC000412965760 205754495 /nfs/dbraw/zinc/75/44/95/205754495.db2.gz TYIJKJMGEIMHPA-MRVPVSSYSA-N 0 0 241.281 3.504 20 0 BHADRN Cc1c(NC(=O)[C@@H](C)C(C)C)ccc(F)c1F ZINC000412965761 385817125 /nfs/dbraw/zinc/81/71/25/385817125.db2.gz TYIJKJMGEIMHPA-QMMMGPOBSA-N 0 0 241.281 3.504 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc(F)c(F)c1C ZINC000412965870 205753445 /nfs/dbraw/zinc/75/34/45/205753445.db2.gz UMQKDEHDWJHGEK-MRVPVSSYSA-N 0 0 241.281 3.648 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc(F)c(F)c1C ZINC000412965871 385818391 /nfs/dbraw/zinc/81/83/91/385818391.db2.gz UMQKDEHDWJHGEK-QMMMGPOBSA-N 0 0 241.281 3.648 20 0 BHADRN Cc1c(NC(=O)CCC(C)C)ccc(F)c1F ZINC000412967630 385818297 /nfs/dbraw/zinc/81/82/97/385818297.db2.gz XSXYULDITJXIRA-UHFFFAOYSA-N 0 0 241.281 3.648 20 0 BHADRN CC(C)OC1CC(SC2CCCC2)C1 ZINC000412973652 191345548 /nfs/dbraw/zinc/34/55/48/191345548.db2.gz APWLMDPQNKCRST-UHFFFAOYSA-N 0 0 214.374 3.618 20 0 BHADRN CC(C)CS[C@H]1CCCC(C)(C)C1=O ZINC000412973907 191345687 /nfs/dbraw/zinc/34/56/87/191345687.db2.gz BNICNWKNFFXLTD-JTQLQIEISA-N 0 0 214.374 3.523 20 0 BHADRN CC(C)CS[C@@H]1CCCC(C)(C)C1=O ZINC000412973908 191345392 /nfs/dbraw/zinc/34/53/92/191345392.db2.gz BNICNWKNFFXLTD-SNVBAGLBSA-N 0 0 214.374 3.523 20 0 BHADRN CC1(C)CCC[C@@H](Sc2ccccc2)C1=O ZINC000412974812 191344708 /nfs/dbraw/zinc/34/47/08/191344708.db2.gz DFHZFPJBBAJXCJ-GFCCVEGCSA-N 0 0 234.364 3.927 20 0 BHADRN CC1(C)CCC[C@H](Sc2ccccc2)C1=O ZINC000412974813 191344556 /nfs/dbraw/zinc/34/45/56/191344556.db2.gz DFHZFPJBBAJXCJ-LBPRGKRZSA-N 0 0 234.364 3.927 20 0 BHADRN CC1(C)C[C@H](Sc2ccccc2)CCO1 ZINC000412974815 191345383 /nfs/dbraw/zinc/34/53/83/191345383.db2.gz DFMBNCJBOYIZDD-GFCCVEGCSA-N 0 0 222.353 3.736 20 0 BHADRN CC1(C)C[C@@H](Sc2ccccc2)CCO1 ZINC000412974833 191345511 /nfs/dbraw/zinc/34/55/11/191345511.db2.gz DFMBNCJBOYIZDD-LBPRGKRZSA-N 0 0 222.353 3.736 20 0 BHADRN CC(C)OC1CC(SCc2ccccc2)C1 ZINC000412975293 191346049 /nfs/dbraw/zinc/34/60/49/191346049.db2.gz FUTHKHSBZVIIGC-UHFFFAOYSA-N 0 0 236.380 3.876 20 0 BHADRN CC1(C)CCC[C@@H](SCc2ccco2)C1=O ZINC000412975636 191346272 /nfs/dbraw/zinc/34/62/72/191346272.db2.gz GGVAROMJJCHZCQ-LLVKDONJSA-N 0 0 238.352 3.661 20 0 BHADRN CC1(C)CCC[C@H](SCc2ccco2)C1=O ZINC000412975639 191346953 /nfs/dbraw/zinc/34/69/53/191346953.db2.gz GGVAROMJJCHZCQ-NSHDSACASA-N 0 0 238.352 3.661 20 0 BHADRN Cc1ccc(S[C@@H]2CCC(C)(C)C2=O)cc1 ZINC000412976392 191347460 /nfs/dbraw/zinc/34/74/60/191347460.db2.gz HUNVUZFQQLRNDD-GFCCVEGCSA-N 0 0 234.364 3.845 20 0 BHADRN Cc1ccc(S[C@H]2CCC(C)(C)C2=O)cc1 ZINC000412976394 191346984 /nfs/dbraw/zinc/34/69/84/191346984.db2.gz HUNVUZFQQLRNDD-LBPRGKRZSA-N 0 0 234.364 3.845 20 0 BHADRN CCOC1CC(SC2CCCCC2)C1 ZINC000412976436 191346031 /nfs/dbraw/zinc/34/60/31/191346031.db2.gz ICXFRIWAMSMXDE-UHFFFAOYSA-N 0 0 214.374 3.620 20 0 BHADRN Fc1cnccc1CSC1CCCCC1 ZINC000412976513 191346324 /nfs/dbraw/zinc/34/63/24/191346324.db2.gz IPELOTBMVPHMBW-UHFFFAOYSA-N 0 0 225.332 3.787 20 0 BHADRN CC1(C)CC[C@@H](SC2CCCCC2)C1=O ZINC000412976807 191347810 /nfs/dbraw/zinc/34/78/10/191347810.db2.gz JFUCSVLHJNQCRI-LLVKDONJSA-N 0 0 226.385 3.810 20 0 BHADRN CC1(C)CC[C@H](SC2CCCCC2)C1=O ZINC000412976821 191347678 /nfs/dbraw/zinc/34/76/78/191347678.db2.gz JFUCSVLHJNQCRI-NSHDSACASA-N 0 0 226.385 3.810 20 0 BHADRN CC1(C)CC[C@@H](SCc2ccccc2)C1=O ZINC000412977728 385825308 /nfs/dbraw/zinc/82/53/08/385825308.db2.gz LTAPYCBIZQXHOE-GFCCVEGCSA-N 0 0 234.364 3.678 20 0 BHADRN CC1(C)CC[C@H](SCc2ccccc2)C1=O ZINC000412977732 385825877 /nfs/dbraw/zinc/82/58/77/385825877.db2.gz LTAPYCBIZQXHOE-LBPRGKRZSA-N 0 0 234.364 3.678 20 0 BHADRN CC1(C)CCC[C@@H](SC2CCCC2)C1=O ZINC000412978515 191348780 /nfs/dbraw/zinc/34/87/80/191348780.db2.gz NWHMFUBPCKEZHC-LLVKDONJSA-N 0 0 226.385 3.810 20 0 BHADRN CC1(C)CCC[C@H](SC2CCCC2)C1=O ZINC000412978516 191349029 /nfs/dbraw/zinc/34/90/29/191349029.db2.gz NWHMFUBPCKEZHC-NSHDSACASA-N 0 0 226.385 3.810 20 0 BHADRN CC1(C)C[C@H](SCc2ccccc2)CCO1 ZINC000412978537 191347868 /nfs/dbraw/zinc/34/78/68/191347868.db2.gz OBCNNYNMJQZHAZ-CYBMUJFWSA-N 0 0 236.380 3.877 20 0 BHADRN CC1(C)C[C@@H](SCc2ccccc2)CCO1 ZINC000412978539 191348588 /nfs/dbraw/zinc/34/85/88/191348588.db2.gz OBCNNYNMJQZHAZ-ZDUSSCGKSA-N 0 0 236.380 3.877 20 0 BHADRN Cc1ccc(SCCc2cncs2)cc1 ZINC000412978890 191348907 /nfs/dbraw/zinc/34/89/07/191348907.db2.gz OSALFIAFEOCXGW-UHFFFAOYSA-N 0 0 235.377 3.786 20 0 BHADRN CC1(C)CC[C@@H](CSC2CCCC2)O1 ZINC000412978893 191349585 /nfs/dbraw/zinc/34/95/85/191349585.db2.gz OSPLHQWCTAVENB-JTQLQIEISA-N 0 0 214.374 3.620 20 0 BHADRN CC1(C)CC[C@H](CSC2CCCC2)O1 ZINC000412978894 191347984 /nfs/dbraw/zinc/34/79/84/191347984.db2.gz OSPLHQWCTAVENB-SNVBAGLBSA-N 0 0 214.374 3.620 20 0 BHADRN CC(C)OC1CC(Sc2ccc(F)cc2)C1 ZINC000412979094 191348927 /nfs/dbraw/zinc/34/89/27/191348927.db2.gz BUYWUENKVMZFRN-UHFFFAOYSA-N 0 0 240.343 3.874 20 0 BHADRN c1coc(CSCCOCC2CCCC2)c1 ZINC000412979451 191348253 /nfs/dbraw/zinc/34/82/53/191348253.db2.gz PWJFLGSAXNBDIF-UHFFFAOYSA-N 0 0 240.368 3.720 20 0 BHADRN C(CO[C@@H]1CCCCO1)CSC1CCCC1 ZINC000412979877 191349200 /nfs/dbraw/zinc/34/92/00/191349200.db2.gz QOTFRCBAJPDFIG-CYBMUJFWSA-N 0 0 244.400 3.596 20 0 BHADRN C(CO[C@H]1CCCCO1)CSC1CCCC1 ZINC000412979880 191348590 /nfs/dbraw/zinc/34/85/90/191348590.db2.gz QOTFRCBAJPDFIG-ZDUSSCGKSA-N 0 0 244.400 3.596 20 0 BHADRN Cc1nnc([C@H](C)Sc2ccc(C)cc2C)[nH]1 ZINC000412981200 191330390 /nfs/dbraw/zinc/33/03/90/191330390.db2.gz DUFGLJHHKFOFJF-JTQLQIEISA-N 0 0 247.367 3.583 20 0 BHADRN Cc1nnc([C@@H](C)Sc2ccc(C)cc2C)[nH]1 ZINC000412981202 191330055 /nfs/dbraw/zinc/33/00/55/191330055.db2.gz DUFGLJHHKFOFJF-SNVBAGLBSA-N 0 0 247.367 3.583 20 0 BHADRN CC1(C)CC[C@@H](Sc2ccc(F)cc2)C1=O ZINC000412981323 191330900 /nfs/dbraw/zinc/33/09/00/191330900.db2.gz GQIWBRSGPGZSLO-LLVKDONJSA-N 0 0 238.327 3.676 20 0 BHADRN CC1(C)CC[C@H](Sc2ccc(F)cc2)C1=O ZINC000412981324 191330713 /nfs/dbraw/zinc/33/07/13/191330713.db2.gz GQIWBRSGPGZSLO-NSHDSACASA-N 0 0 238.327 3.676 20 0 BHADRN CC1(C)CC[C@@H](Sc2ccccc2)C1=O ZINC000412981367 191330323 /nfs/dbraw/zinc/33/03/23/191330323.db2.gz VCKUWSDJHCUSDC-LLVKDONJSA-N 0 0 220.337 3.536 20 0 BHADRN CC1(C)CC[C@H](Sc2ccccc2)C1=O ZINC000412981372 191329965 /nfs/dbraw/zinc/32/99/65/191329965.db2.gz VCKUWSDJHCUSDC-NSHDSACASA-N 0 0 220.337 3.536 20 0 BHADRN CC1(C)CC[C@H](CSc2ccccc2)O1 ZINC000412981545 191330560 /nfs/dbraw/zinc/33/05/60/191330560.db2.gz VTVQWBXPPDGCIX-LLVKDONJSA-N 0 0 222.353 3.736 20 0 BHADRN CC1(C)CC[C@@H](CSc2ccccc2)O1 ZINC000412981548 191330754 /nfs/dbraw/zinc/33/07/54/191330754.db2.gz VTVQWBXPPDGCIX-NSHDSACASA-N 0 0 222.353 3.736 20 0 BHADRN CC1(C)CC[C@@H](Sc2ccccc2F)C1=O ZINC000412981636 191329928 /nfs/dbraw/zinc/32/99/28/191329928.db2.gz HYZOPTMZLLVRBG-LLVKDONJSA-N 0 0 238.327 3.676 20 0 BHADRN CC1(C)CC[C@H](Sc2ccccc2F)C1=O ZINC000412981637 191330025 /nfs/dbraw/zinc/33/00/25/191330025.db2.gz HYZOPTMZLLVRBG-NSHDSACASA-N 0 0 238.327 3.676 20 0 BHADRN FC1(F)CCC(CSc2ccccn2)CC1 ZINC000412981772 191330146 /nfs/dbraw/zinc/33/01/46/191330146.db2.gz WKPHJBRUHJHJCZ-UHFFFAOYSA-N 0 0 243.322 3.999 20 0 BHADRN CC(C)OC1CC(Sc2ccccc2F)C1 ZINC000412981803 191330893 /nfs/dbraw/zinc/33/08/93/191330893.db2.gz IMERZPNKCGJZSP-UHFFFAOYSA-N 0 0 240.343 3.874 20 0 BHADRN CC(C)OC1CC(Sc2ccccc2)C1 ZINC000412982101 191330838 /nfs/dbraw/zinc/33/08/38/191330838.db2.gz XIWKWXREVJVVCE-UHFFFAOYSA-N 0 0 222.353 3.735 20 0 BHADRN c1ncc(CCSC2CCCCC2)s1 ZINC000412982289 191329940 /nfs/dbraw/zinc/32/99/40/191329940.db2.gz XYIFYJQJWYNHIK-UHFFFAOYSA-N 0 0 227.398 3.752 20 0 BHADRN CC(C)[C@H](C)Sc1n[nH]c(-c2ccccc2)n1 ZINC000412982373 191330777 /nfs/dbraw/zinc/33/07/77/191330777.db2.gz IRNAOKMTTNOGAZ-JTQLQIEISA-N 0 0 247.367 3.608 20 0 BHADRN CC(C)[C@@H](C)Sc1n[nH]c(-c2ccccc2)n1 ZINC000412982375 191330824 /nfs/dbraw/zinc/33/08/24/191330824.db2.gz IRNAOKMTTNOGAZ-SNVBAGLBSA-N 0 0 247.367 3.608 20 0 BHADRN Cc1nnc([C@H](C)Sc2cc(C)ccc2C)[nH]1 ZINC000412982549 191329977 /nfs/dbraw/zinc/32/99/77/191329977.db2.gz JJPDZUPSLQFELX-JTQLQIEISA-N 0 0 247.367 3.583 20 0 BHADRN Cc1nnc([C@@H](C)Sc2cc(C)ccc2C)[nH]1 ZINC000412982550 191330871 /nfs/dbraw/zinc/33/08/71/191330871.db2.gz JJPDZUPSLQFELX-SNVBAGLBSA-N 0 0 247.367 3.583 20 0 BHADRN CC1(C)C[C@@H](Sc2ccccc2F)CCO1 ZINC000412983318 191330775 /nfs/dbraw/zinc/33/07/75/191330775.db2.gz MVZLRFCEFWSWQV-JTQLQIEISA-N 0 0 240.343 3.875 20 0 BHADRN CC1(C)C[C@H](Sc2ccccc2F)CCO1 ZINC000412983319 191330168 /nfs/dbraw/zinc/33/01/68/191330168.db2.gz MVZLRFCEFWSWQV-SNVBAGLBSA-N 0 0 240.343 3.875 20 0 BHADRN Cc1ccccc1CSCCc1cncs1 ZINC000412983406 191330858 /nfs/dbraw/zinc/33/08/58/191330858.db2.gz NIJVSUYRGNJDKA-UHFFFAOYSA-N 0 0 249.404 3.927 20 0 BHADRN CC1(C)C[C@H](Sc2ccc(F)cc2)CCO1 ZINC000412985135 191330014 /nfs/dbraw/zinc/33/00/14/191330014.db2.gz QOULTURCSDRUQI-GFCCVEGCSA-N 0 0 240.343 3.875 20 0 BHADRN CC1(C)C[C@@H](Sc2ccc(F)cc2)CCO1 ZINC000412985137 191330254 /nfs/dbraw/zinc/33/02/54/191330254.db2.gz QOULTURCSDRUQI-LBPRGKRZSA-N 0 0 240.343 3.875 20 0 BHADRN CC(C)[C@H](O)CSc1ccc(F)c(Cl)c1 ZINC000412985505 191330135 /nfs/dbraw/zinc/33/01/35/191330135.db2.gz FTGULLHAXZVUEA-LLVKDONJSA-N 0 0 248.750 3.588 20 0 BHADRN CC(C)[C@@H](O)CSc1ccc(F)c(Cl)c1 ZINC000412985508 191330101 /nfs/dbraw/zinc/33/01/01/191330101.db2.gz FTGULLHAXZVUEA-NSHDSACASA-N 0 0 248.750 3.588 20 0 BHADRN CCC[C@@H](O)CSc1ccc(F)c(Cl)c1 ZINC000412985843 191330568 /nfs/dbraw/zinc/33/05/68/191330568.db2.gz GITDQRYSLGXGAC-MRVPVSSYSA-N 0 0 248.750 3.732 20 0 BHADRN CCC[C@H](O)CSc1ccc(F)c(Cl)c1 ZINC000412985845 191330542 /nfs/dbraw/zinc/33/05/42/191330542.db2.gz GITDQRYSLGXGAC-QMMMGPOBSA-N 0 0 248.750 3.732 20 0 BHADRN Cc1nnc([C@H](C)Sc2ccc(C)c(C)c2)[nH]1 ZINC000412986365 191329970 /nfs/dbraw/zinc/32/99/70/191329970.db2.gz WKMVRYCEBOHHBW-JTQLQIEISA-N 0 0 247.367 3.583 20 0 BHADRN Cc1nnc([C@@H](C)Sc2ccc(C)c(C)c2)[nH]1 ZINC000412986366 191330217 /nfs/dbraw/zinc/33/02/17/191330217.db2.gz WKMVRYCEBOHHBW-SNVBAGLBSA-N 0 0 247.367 3.583 20 0 BHADRN CCC[C@@H](O)CSc1ccc(C)c(C)c1 ZINC000412986726 191330030 /nfs/dbraw/zinc/33/00/30/191330030.db2.gz XIPMVIKHJMGSAG-GFCCVEGCSA-N 0 0 224.369 3.557 20 0 BHADRN CCC[C@H](O)CSc1ccc(C)c(C)c1 ZINC000412986727 191330297 /nfs/dbraw/zinc/33/02/97/191330297.db2.gz XIPMVIKHJMGSAG-LBPRGKRZSA-N 0 0 224.369 3.557 20 0 BHADRN COC(C)(C)CCSc1cccs1 ZINC000412987428 191330458 /nfs/dbraw/zinc/33/04/58/191330458.db2.gz AUMVUPANGOKECZ-UHFFFAOYSA-N 0 0 216.371 3.655 20 0 BHADRN CCCC(CCC)SCc1cnnn1CC ZINC000412987603 191330481 /nfs/dbraw/zinc/33/04/81/191330481.db2.gz BLXPEHGOUFKKSV-UHFFFAOYSA-N 0 0 241.404 3.500 20 0 BHADRN CCCC(CCC)S[C@H](C)c1nnc(C)[nH]1 ZINC000412988126 191330210 /nfs/dbraw/zinc/33/02/10/191330210.db2.gz CPRHOZIHAQMTFP-SECBINFHSA-N 0 0 241.404 3.876 20 0 BHADRN CCCC(CCC)S[C@@H](C)c1nnc(C)[nH]1 ZINC000412988128 191330515 /nfs/dbraw/zinc/33/05/15/191330515.db2.gz CPRHOZIHAQMTFP-VIFPVBQESA-N 0 0 241.404 3.876 20 0 BHADRN CCCC(CCC)SCCc1cn[nH]c1 ZINC000412988239 191330501 /nfs/dbraw/zinc/33/05/01/191330501.db2.gz DABBMYPBLQANHT-UHFFFAOYSA-N 0 0 226.389 3.654 20 0 BHADRN Cc1ccc(OCC2CCC(F)(F)CC2)nc1 ZINC000412988383 191330593 /nfs/dbraw/zinc/33/05/93/191330593.db2.gz AMNONRWJRLFHCK-UHFFFAOYSA-N 0 0 241.281 3.594 20 0 BHADRN CCC(CC)S[C@H](C)c1nnc(C)s1 ZINC000412988568 191330245 /nfs/dbraw/zinc/33/02/45/191330245.db2.gz DFKBMXBUDOYMRS-SSDOTTSWSA-N 0 0 230.402 3.829 20 0 BHADRN CCC(CC)S[C@@H](C)c1nnc(C)s1 ZINC000412988571 191330572 /nfs/dbraw/zinc/33/05/72/191330572.db2.gz DFKBMXBUDOYMRS-ZETCQYMHSA-N 0 0 230.402 3.829 20 0 BHADRN CC(C)OC1CC(Sc2cccs2)C1 ZINC000412989006 191330737 /nfs/dbraw/zinc/33/07/37/191330737.db2.gz DWULLTJDQPCYTR-UHFFFAOYSA-N 0 0 228.382 3.796 20 0 BHADRN Cc1ccc(S[C@@H]2CCCC(C)(C)C2=O)nc1 ZINC000412990507 191331981 /nfs/dbraw/zinc/33/19/81/191331981.db2.gz IGWIDZMDHBKSTN-LLVKDONJSA-N 0 0 249.379 3.630 20 0 BHADRN Cc1ccc(S[C@H]2CCCC(C)(C)C2=O)nc1 ZINC000412990510 191331939 /nfs/dbraw/zinc/33/19/39/191331939.db2.gz IGWIDZMDHBKSTN-NSHDSACASA-N 0 0 249.379 3.630 20 0 BHADRN CCC[C@H](O)CSCCCc1ccccc1 ZINC000412991225 191331799 /nfs/dbraw/zinc/33/17/99/191331799.db2.gz HRNDBFRSJSBYFI-AWEZNQCLSA-N 0 0 238.396 3.513 20 0 BHADRN CCC[C@@H](O)CSCCCc1ccccc1 ZINC000412991226 191331797 /nfs/dbraw/zinc/33/17/97/191331797.db2.gz HRNDBFRSJSBYFI-CQSZACIVSA-N 0 0 238.396 3.513 20 0 BHADRN C[C@@H](S[C@H]1CCOC1)c1c(F)cccc1F ZINC000412991359 191331104 /nfs/dbraw/zinc/33/11/04/191331104.db2.gz JUCXZNVJFRWMRB-BDAKNGLRSA-N 0 0 244.306 3.548 20 0 BHADRN C[C@H](S[C@@H]1CCOC1)c1c(F)cccc1F ZINC000412991366 191331504 /nfs/dbraw/zinc/33/15/04/191331504.db2.gz JUCXZNVJFRWMRB-DTWKUNHWSA-N 0 0 244.306 3.548 20 0 BHADRN C[C@H](S[C@H]1CCOC1)c1c(F)cccc1F ZINC000412991369 191331738 /nfs/dbraw/zinc/33/17/38/191331738.db2.gz JUCXZNVJFRWMRB-IUCAKERBSA-N 0 0 244.306 3.548 20 0 BHADRN C[C@@H](S[C@@H]1CCOC1)c1c(F)cccc1F ZINC000412991371 191331370 /nfs/dbraw/zinc/33/13/70/191331370.db2.gz JUCXZNVJFRWMRB-RKDXNWHRSA-N 0 0 244.306 3.548 20 0 BHADRN Cc1ccccc1S[C@@H]1CCC(C)(C)C1=O ZINC000412991645 191331364 /nfs/dbraw/zinc/33/13/64/191331364.db2.gz KGNLMWGDFLXNLA-GFCCVEGCSA-N 0 0 234.364 3.845 20 0 BHADRN Cc1ccccc1S[C@H]1CCC(C)(C)C1=O ZINC000412991649 191331029 /nfs/dbraw/zinc/33/10/29/191331029.db2.gz KGNLMWGDFLXNLA-LBPRGKRZSA-N 0 0 234.364 3.845 20 0 BHADRN Cc1ccc(CSc2ncc(C)cn2)c(C)c1 ZINC000412991797 191331292 /nfs/dbraw/zinc/33/12/92/191331292.db2.gz KPYCNVNPMQTZEF-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN CC1(C)CCC[C@@H](Sc2cccs2)C1=O ZINC000412991832 191331199 /nfs/dbraw/zinc/33/11/99/191331199.db2.gz KUOVAAFHULNRKO-SECBINFHSA-N 0 0 240.393 3.988 20 0 BHADRN CC1(C)CCC[C@H](Sc2cccs2)C1=O ZINC000412991835 191331117 /nfs/dbraw/zinc/33/11/17/191331117.db2.gz KUOVAAFHULNRKO-VIFPVBQESA-N 0 0 240.393 3.988 20 0 BHADRN C[C@@H](S[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000412992060 191331997 /nfs/dbraw/zinc/33/19/97/191331997.db2.gz LGKOOODJRXUUJD-BXKDBHETSA-N 0 0 242.771 3.923 20 0 BHADRN C[C@H](S[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000412992065 191331933 /nfs/dbraw/zinc/33/19/33/191331933.db2.gz LGKOOODJRXUUJD-CABZTGNLSA-N 0 0 242.771 3.923 20 0 BHADRN C[C@H](S[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000412992067 191331741 /nfs/dbraw/zinc/33/17/41/191331741.db2.gz LGKOOODJRXUUJD-JOYOIKCWSA-N 0 0 242.771 3.923 20 0 BHADRN C[C@@H](S[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000412992068 191331786 /nfs/dbraw/zinc/33/17/86/191331786.db2.gz LGKOOODJRXUUJD-SKDRFNHKSA-N 0 0 242.771 3.923 20 0 BHADRN CCC(CC)S[C@H]1CCC(C)(C)C1=O ZINC000412992178 191331557 /nfs/dbraw/zinc/33/15/57/191331557.db2.gz LRWNYRZZWHYWLH-JTQLQIEISA-N 0 0 214.374 3.666 20 0 BHADRN CCC(CC)S[C@@H]1CCC(C)(C)C1=O ZINC000412992181 191331827 /nfs/dbraw/zinc/33/18/27/191331827.db2.gz LRWNYRZZWHYWLH-SNVBAGLBSA-N 0 0 214.374 3.666 20 0 BHADRN CCC[C@H](O)CS[C@@H](C)c1ccc(F)cc1 ZINC000412992434 191331038 /nfs/dbraw/zinc/33/10/38/191331038.db2.gz MJKAEOMFKCTXOS-GWCFXTLKSA-N 0 0 242.359 3.781 20 0 BHADRN CCC[C@@H](O)CS[C@@H](C)c1ccc(F)cc1 ZINC000412992443 191331155 /nfs/dbraw/zinc/33/11/55/191331155.db2.gz MJKAEOMFKCTXOS-GXFFZTMASA-N 0 0 242.359 3.781 20 0 BHADRN CCC[C@H](O)CS[C@H](C)c1ccc(F)cc1 ZINC000412992445 191330990 /nfs/dbraw/zinc/33/09/90/191330990.db2.gz MJKAEOMFKCTXOS-MFKMUULPSA-N 0 0 242.359 3.781 20 0 BHADRN CCC[C@@H](O)CS[C@H](C)c1ccc(F)cc1 ZINC000412992447 191331044 /nfs/dbraw/zinc/33/10/44/191331044.db2.gz MJKAEOMFKCTXOS-ZWNOBZJWSA-N 0 0 242.359 3.781 20 0 BHADRN CC(C)[C@H](C)Sc1nccn1C(C)C ZINC000412992559 191331849 /nfs/dbraw/zinc/33/18/49/191331849.db2.gz UJAYHLXTUMPBJP-JTQLQIEISA-N 0 0 212.362 3.601 20 0 BHADRN CC(C)[C@@H](C)Sc1nccn1C(C)C ZINC000412992561 191331353 /nfs/dbraw/zinc/33/13/53/191331353.db2.gz UJAYHLXTUMPBJP-SNVBAGLBSA-N 0 0 212.362 3.601 20 0 BHADRN CC1(C)C[C@H](Sc2cccs2)CCO1 ZINC000412993020 191331730 /nfs/dbraw/zinc/33/17/30/191331730.db2.gz NOWVEAWANCGKDQ-SECBINFHSA-N 0 0 228.382 3.798 20 0 BHADRN CC1(C)C[C@@H](Sc2cccs2)CCO1 ZINC000412993022 191331714 /nfs/dbraw/zinc/33/17/14/191331714.db2.gz NOWVEAWANCGKDQ-VIFPVBQESA-N 0 0 228.382 3.798 20 0 BHADRN CC1(C)CC[C@@H](Sc2cccs2)C1=O ZINC000412993057 191331832 /nfs/dbraw/zinc/33/18/32/191331832.db2.gz NSVCQUHLUJZHAY-MRVPVSSYSA-N 0 0 226.366 3.598 20 0 BHADRN CC1(C)CC[C@H](Sc2cccs2)C1=O ZINC000412993065 191331217 /nfs/dbraw/zinc/33/12/17/191331217.db2.gz NSVCQUHLUJZHAY-QMMMGPOBSA-N 0 0 226.366 3.598 20 0 BHADRN CCC(CC)SCCC(C)(C)OC ZINC000412993105 191331860 /nfs/dbraw/zinc/33/18/60/191331860.db2.gz NXDCQQVLAWPVJZ-UHFFFAOYSA-N 0 0 204.379 3.723 20 0 BHADRN Cc1ccccc1SCCc1cncs1 ZINC000412993675 191331288 /nfs/dbraw/zinc/33/12/88/191331288.db2.gz PDFAWUGGNUJBEP-UHFFFAOYSA-N 0 0 235.377 3.786 20 0 BHADRN CCCC(CCC)SCCc1cncn1C ZINC000412993804 191331479 /nfs/dbraw/zinc/33/14/79/191331479.db2.gz POQPIBVTYZEQNH-UHFFFAOYSA-N 0 0 240.416 3.665 20 0 BHADRN c1ncc(CCSCC2CCCCC2)s1 ZINC000412993813 191331546 /nfs/dbraw/zinc/33/15/46/191331546.db2.gz PPEDREBSVDBWDD-UHFFFAOYSA-N 0 0 241.425 3.999 20 0 BHADRN CCCC(CCC)SCc1cnns1 ZINC000412993838 191331596 /nfs/dbraw/zinc/33/15/96/191331596.db2.gz PTLGPJZBAQTADW-UHFFFAOYSA-N 0 0 230.402 3.740 20 0 BHADRN CCCCCSCCc1cncs1 ZINC000412993898 191331792 /nfs/dbraw/zinc/33/17/92/191331792.db2.gz AINZQRGABBYXMH-UHFFFAOYSA-N 0 0 215.387 3.609 20 0 BHADRN CC[C@@H](C)CS[C@@H]1CCC(C)(C)C1=O ZINC000412994117 191331115 /nfs/dbraw/zinc/33/11/15/191331115.db2.gz ACBWKNKYTSTHAH-NXEZZACHSA-N 0 0 214.374 3.523 20 0 BHADRN CC[C@H](C)CS[C@H]1CCC(C)(C)C1=O ZINC000412994118 191331973 /nfs/dbraw/zinc/33/19/73/191331973.db2.gz ACBWKNKYTSTHAH-UWVGGRQHSA-N 0 0 214.374 3.523 20 0 BHADRN CC[C@H](C)CS[C@@H]1CCC(C)(C)C1=O ZINC000412994119 191331541 /nfs/dbraw/zinc/33/15/41/191331541.db2.gz ACBWKNKYTSTHAH-VHSXEESVSA-N 0 0 214.374 3.523 20 0 BHADRN CC[C@@H](C)CS[C@H]1CCC(C)(C)C1=O ZINC000412994120 191331728 /nfs/dbraw/zinc/33/17/28/191331728.db2.gz ACBWKNKYTSTHAH-ZJUUUORDSA-N 0 0 214.374 3.523 20 0 BHADRN CC[C@@H](S[C@@H]1CCOC1)c1ccccc1 ZINC000412994767 191332223 /nfs/dbraw/zinc/33/22/23/191332223.db2.gz BJWULDIQCHEJKX-CHWSQXEVSA-N 0 0 222.353 3.660 20 0 BHADRN CC[C@H](S[C@@H]1CCOC1)c1ccccc1 ZINC000412994768 191332915 /nfs/dbraw/zinc/33/29/15/191332915.db2.gz BJWULDIQCHEJKX-OLZOCXBDSA-N 0 0 222.353 3.660 20 0 BHADRN CC[C@@H](S[C@H]1CCOC1)c1ccccc1 ZINC000412994769 191332188 /nfs/dbraw/zinc/33/21/88/191332188.db2.gz BJWULDIQCHEJKX-QWHCGFSZSA-N 0 0 222.353 3.660 20 0 BHADRN CC[C@H](S[C@H]1CCOC1)c1ccccc1 ZINC000412994770 191332131 /nfs/dbraw/zinc/33/21/31/191332131.db2.gz BJWULDIQCHEJKX-STQMWFEESA-N 0 0 222.353 3.660 20 0 BHADRN c1ccc2c(c1)cccc2CS[C@H]1CCOC1 ZINC000412994823 191332386 /nfs/dbraw/zinc/33/23/86/191332386.db2.gz QPJAMXZARREDJG-AWEZNQCLSA-N 0 0 244.359 3.862 20 0 BHADRN c1ccc2c(c1)cccc2CS[C@@H]1CCOC1 ZINC000412994824 191332452 /nfs/dbraw/zinc/33/24/52/191332452.db2.gz QPJAMXZARREDJG-CQSZACIVSA-N 0 0 244.359 3.862 20 0 BHADRN CC(C)[C@@H](O)CS[C@@H](C)c1ccc(F)cc1 ZINC000412994849 191333067 /nfs/dbraw/zinc/33/30/67/191333067.db2.gz QWKVREJSJFKUAN-GWCFXTLKSA-N 0 0 242.359 3.637 20 0 BHADRN CC(C)[C@H](O)CS[C@@H](C)c1ccc(F)cc1 ZINC000412994850 191332093 /nfs/dbraw/zinc/33/20/93/191332093.db2.gz QWKVREJSJFKUAN-GXFFZTMASA-N 0 0 242.359 3.637 20 0 BHADRN CC(C)[C@@H](O)CS[C@H](C)c1ccc(F)cc1 ZINC000412994851 191332487 /nfs/dbraw/zinc/33/24/87/191332487.db2.gz QWKVREJSJFKUAN-MFKMUULPSA-N 0 0 242.359 3.637 20 0 BHADRN CC(C)[C@H](O)CS[C@H](C)c1ccc(F)cc1 ZINC000412994852 191332362 /nfs/dbraw/zinc/33/23/62/191332362.db2.gz QWKVREJSJFKUAN-ZWNOBZJWSA-N 0 0 242.359 3.637 20 0 BHADRN Cc1cccc(SCCc2cncs2)c1 ZINC000412994912 191333001 /nfs/dbraw/zinc/33/30/01/191333001.db2.gz RIBPQRNCBIIZQW-UHFFFAOYSA-N 0 0 235.377 3.786 20 0 BHADRN FC1(F)CCC(CSc2ccncc2)CC1 ZINC000412995220 191332143 /nfs/dbraw/zinc/33/21/43/191332143.db2.gz CFOVKHBXQYYZGV-UHFFFAOYSA-N 0 0 243.322 3.999 20 0 BHADRN COC(C)(C)CCSc1cccc(F)c1 ZINC000412995277 191332607 /nfs/dbraw/zinc/33/26/07/191332607.db2.gz CQRVYJOFRQFDCR-UHFFFAOYSA-N 0 0 228.332 3.733 20 0 BHADRN CCCCCSCc1ccncc1F ZINC000412995693 191332867 /nfs/dbraw/zinc/33/28/67/191332867.db2.gz CSJBWIVGSSYUEE-UHFFFAOYSA-N 0 0 213.321 3.644 20 0 BHADRN C[C@@H](S[C@@H]1CCOC1)c1ccccc1Cl ZINC000412995829 191332855 /nfs/dbraw/zinc/33/28/55/191332855.db2.gz SNRLQSBKPKQFHH-NXEZZACHSA-N 0 0 242.771 3.923 20 0 BHADRN C[C@H](S[C@H]1CCOC1)c1ccccc1Cl ZINC000412995830 191332531 /nfs/dbraw/zinc/33/25/31/191332531.db2.gz SNRLQSBKPKQFHH-UWVGGRQHSA-N 0 0 242.771 3.923 20 0 BHADRN C[C@H](S[C@@H]1CCOC1)c1ccccc1Cl ZINC000412995831 191332351 /nfs/dbraw/zinc/33/23/51/191332351.db2.gz SNRLQSBKPKQFHH-VHSXEESVSA-N 0 0 242.771 3.923 20 0 BHADRN C[C@@H](S[C@H]1CCOC1)c1ccccc1Cl ZINC000412995832 191332300 /nfs/dbraw/zinc/33/23/00/191332300.db2.gz SNRLQSBKPKQFHH-ZJUUUORDSA-N 0 0 242.771 3.923 20 0 BHADRN CC[C@@H](O)CS[C@H](C)c1ccc(Cl)cc1 ZINC000412995849 191332340 /nfs/dbraw/zinc/33/23/40/191332340.db2.gz SRVCWAONHGHYKT-BXKDBHETSA-N 0 0 244.787 3.905 20 0 BHADRN CC[C@H](O)CS[C@@H](C)c1ccc(Cl)cc1 ZINC000412995850 191332149 /nfs/dbraw/zinc/33/21/49/191332149.db2.gz SRVCWAONHGHYKT-CABZTGNLSA-N 0 0 244.787 3.905 20 0 BHADRN CC[C@@H](O)CS[C@@H](C)c1ccc(Cl)cc1 ZINC000412995851 191332317 /nfs/dbraw/zinc/33/23/17/191332317.db2.gz SRVCWAONHGHYKT-JOYOIKCWSA-N 0 0 244.787 3.905 20 0 BHADRN CC[C@H](O)CS[C@H](C)c1ccc(Cl)cc1 ZINC000412995852 191332640 /nfs/dbraw/zinc/33/26/40/191332640.db2.gz SRVCWAONHGHYKT-SKDRFNHKSA-N 0 0 244.787 3.905 20 0 BHADRN CC[C@@H](C)CSCc1ccncc1F ZINC000412996078 191332768 /nfs/dbraw/zinc/33/27/68/191332768.db2.gz FHWFKYJYDKKBTC-SECBINFHSA-N 0 0 213.321 3.500 20 0 BHADRN CC[C@H](C)CSCc1ccncc1F ZINC000412996079 191332757 /nfs/dbraw/zinc/33/27/57/191332757.db2.gz FHWFKYJYDKKBTC-VIFPVBQESA-N 0 0 213.321 3.500 20 0 BHADRN Cc1nnc([C@@H](C)S[C@H](C)C(C)C)s1 ZINC000412996095 191333065 /nfs/dbraw/zinc/33/30/65/191333065.db2.gz FINJCOKGVNJZGR-HTQZYQBOSA-N 0 0 230.402 3.685 20 0 BHADRN Cc1nnc([C@@H](C)S[C@@H](C)C(C)C)s1 ZINC000412996096 191332296 /nfs/dbraw/zinc/33/22/96/191332296.db2.gz FINJCOKGVNJZGR-JGVFFNPUSA-N 0 0 230.402 3.685 20 0 BHADRN Cc1nnc([C@H](C)S[C@H](C)C(C)C)s1 ZINC000412996097 191332568 /nfs/dbraw/zinc/33/25/68/191332568.db2.gz FINJCOKGVNJZGR-SFYZADRCSA-N 0 0 230.402 3.685 20 0 BHADRN Cc1nnc([C@H](C)S[C@@H](C)C(C)C)s1 ZINC000412996098 191332890 /nfs/dbraw/zinc/33/28/90/191332890.db2.gz FINJCOKGVNJZGR-YUMQZZPRSA-N 0 0 230.402 3.685 20 0 BHADRN CCC(CC)S[C@@H]1CCOC(C)(C)C1 ZINC000412996259 191333032 /nfs/dbraw/zinc/33/30/32/191333032.db2.gz UIDILHZNNRVANU-LLVKDONJSA-N 0 0 216.390 3.866 20 0 BHADRN CCC(CC)S[C@H]1CCOC(C)(C)C1 ZINC000412996261 191332726 /nfs/dbraw/zinc/33/27/26/191332726.db2.gz UIDILHZNNRVANU-NSHDSACASA-N 0 0 216.390 3.866 20 0 BHADRN CC(C)[C@H](O)CSCc1cccc(Cl)c1 ZINC000412996263 191332739 /nfs/dbraw/zinc/33/27/39/191332739.db2.gz UIPZJAYLUJPBLD-GFCCVEGCSA-N 0 0 244.787 3.590 20 0 BHADRN CC(C)[C@@H](O)CSCc1cccc(Cl)c1 ZINC000412996266 191332708 /nfs/dbraw/zinc/33/27/08/191332708.db2.gz UIPZJAYLUJPBLD-LBPRGKRZSA-N 0 0 244.787 3.590 20 0 BHADRN CCC(CC)SCc1ccncc1F ZINC000412996769 191333633 /nfs/dbraw/zinc/33/36/33/191333633.db2.gz VSKLBZIXTQSAEN-UHFFFAOYSA-N 0 0 213.321 3.643 20 0 BHADRN Cc1occc1SC[C@@H]1CCC(C)(C)O1 ZINC000412996932 191333338 /nfs/dbraw/zinc/33/33/38/191333338.db2.gz GFAYTNNJKOUHMQ-JTQLQIEISA-N 0 0 226.341 3.638 20 0 BHADRN Cc1occc1SC[C@H]1CCC(C)(C)O1 ZINC000412996933 191333219 /nfs/dbraw/zinc/33/32/19/191333219.db2.gz GFAYTNNJKOUHMQ-SNVBAGLBSA-N 0 0 226.341 3.638 20 0 BHADRN OC1(CCSCC2CCCCC2)CCC1 ZINC000412997290 191333255 /nfs/dbraw/zinc/33/32/55/191333255.db2.gz WTXWJAVUOOQVMU-UHFFFAOYSA-N 0 0 228.401 3.605 20 0 BHADRN Cc1cccc(S[C@@H]2CCC(C)(C)C2=O)c1 ZINC000412997312 191333703 /nfs/dbraw/zinc/33/37/03/191333703.db2.gz WVNQPKGWTKEYCV-GFCCVEGCSA-N 0 0 234.364 3.845 20 0 BHADRN Cc1cccc(S[C@H]2CCC(C)(C)C2=O)c1 ZINC000412997313 191333413 /nfs/dbraw/zinc/33/34/13/191333413.db2.gz WVNQPKGWTKEYCV-LBPRGKRZSA-N 0 0 234.364 3.845 20 0 BHADRN Cc1occc1SC1CC(OC(C)C)C1 ZINC000412997422 191333535 /nfs/dbraw/zinc/33/35/35/191333535.db2.gz GZJGMKCFHHGNDU-UHFFFAOYSA-N 0 0 226.341 3.636 20 0 BHADRN CCCCCSCCCO[C@@H]1CCCCO1 ZINC000412997480 191333438 /nfs/dbraw/zinc/33/34/38/191333438.db2.gz HFFZRTPWGGMHPM-CYBMUJFWSA-N 0 0 246.416 3.843 20 0 BHADRN CCCCCSCCCO[C@H]1CCCCO1 ZINC000412997486 191333887 /nfs/dbraw/zinc/33/38/87/191333887.db2.gz HFFZRTPWGGMHPM-ZDUSSCGKSA-N 0 0 246.416 3.843 20 0 BHADRN CCC(CC)SCCCO[C@@H]1CCCCO1 ZINC000412997631 191333890 /nfs/dbraw/zinc/33/38/90/191333890.db2.gz XAKHJLAPIMFYMW-CYBMUJFWSA-N 0 0 246.416 3.842 20 0 BHADRN CCC(CC)SCCCO[C@H]1CCCCO1 ZINC000412997633 191333195 /nfs/dbraw/zinc/33/31/95/191333195.db2.gz XAKHJLAPIMFYMW-ZDUSSCGKSA-N 0 0 246.416 3.842 20 0 BHADRN CCC(CC)SCCc1cncs1 ZINC000412997740 191333226 /nfs/dbraw/zinc/33/32/26/191333226.db2.gz XIZZFXJGXOANOT-UHFFFAOYSA-N 0 0 215.387 3.607 20 0 BHADRN CC(=O)[C@@H](C)S[C@@H](C)c1ccc2c(c1)CCC2 ZINC000412997909 191333850 /nfs/dbraw/zinc/33/38/50/191333850.db2.gz JEUHSOZVVQMOGD-NEPJUHHUSA-N 0 0 248.391 3.947 20 0 BHADRN CC(=O)[C@H](C)S[C@H](C)c1ccc2c(c1)CCC2 ZINC000412997912 191333508 /nfs/dbraw/zinc/33/35/08/191333508.db2.gz JEUHSOZVVQMOGD-NWDGAFQWSA-N 0 0 248.391 3.947 20 0 BHADRN CC(=O)[C@H](C)S[C@@H](C)c1ccc2c(c1)CCC2 ZINC000412997913 191333978 /nfs/dbraw/zinc/33/39/78/191333978.db2.gz JEUHSOZVVQMOGD-RYUDHWBXSA-N 0 0 248.391 3.947 20 0 BHADRN CC(=O)[C@@H](C)S[C@H](C)c1ccc2c(c1)CCC2 ZINC000412997914 191333469 /nfs/dbraw/zinc/33/34/69/191333469.db2.gz JEUHSOZVVQMOGD-VXGBXAGGSA-N 0 0 248.391 3.947 20 0 BHADRN CC[C@@H](O)CS[C@H](CC)c1ccccc1 ZINC000412997921 191333896 /nfs/dbraw/zinc/33/38/96/191333896.db2.gz JHJJENWOVFVTOV-CHWSQXEVSA-N 0 0 224.369 3.642 20 0 BHADRN CC[C@@H](O)CS[C@@H](CC)c1ccccc1 ZINC000412997922 191334106 /nfs/dbraw/zinc/33/41/06/191334106.db2.gz JHJJENWOVFVTOV-OLZOCXBDSA-N 0 0 224.369 3.642 20 0 BHADRN CC[C@@H](SC[C@@H](O)CC)c1ccccc1 ZINC000412997923 191334055 /nfs/dbraw/zinc/33/40/55/191334055.db2.gz JHJJENWOVFVTOV-QWHCGFSZSA-N 0 0 224.369 3.642 20 0 BHADRN CC[C@H](O)CS[C@@H](CC)c1ccccc1 ZINC000412997924 191333868 /nfs/dbraw/zinc/33/38/68/191333868.db2.gz JHJJENWOVFVTOV-STQMWFEESA-N 0 0 224.369 3.642 20 0 BHADRN Cc1ccc(CSCCc2cn[nH]c2)cc1C ZINC000412997953 191333988 /nfs/dbraw/zinc/33/39/88/191333988.db2.gz JIUSHYSBNCBPJX-UHFFFAOYSA-N 0 0 246.379 3.502 20 0 BHADRN CCCc1nccn1Cc1ccc(C)cc1C ZINC000412998163 191334032 /nfs/dbraw/zinc/33/40/32/191334032.db2.gz ITOXZQWGOZOELS-UHFFFAOYSA-N 0 0 228.339 3.501 20 0 BHADRN Cc1occc1S[C@H]1CCOC(C)(C)C1 ZINC000412998178 191333496 /nfs/dbraw/zinc/33/34/96/191333496.db2.gz IULUERSEECHTCH-JTQLQIEISA-N 0 0 226.341 3.638 20 0 BHADRN Cc1occc1S[C@@H]1CCOC(C)(C)C1 ZINC000412998179 191333596 /nfs/dbraw/zinc/33/35/96/191333596.db2.gz IULUERSEECHTCH-SNVBAGLBSA-N 0 0 226.341 3.638 20 0 BHADRN CC[C@H](O)CS[C@@H]1CCCc2ccccc21 ZINC000412998273 191333842 /nfs/dbraw/zinc/33/38/42/191333842.db2.gz YHYYUKDWOIBYLQ-GXTWGEPZSA-N 0 0 236.380 3.568 20 0 BHADRN CC[C@H](O)CS[C@H]1CCCc2ccccc21 ZINC000412998274 191333222 /nfs/dbraw/zinc/33/32/22/191333222.db2.gz YHYYUKDWOIBYLQ-JSGCOSHPSA-N 0 0 236.380 3.568 20 0 BHADRN CC[C@@H](O)CS[C@H]1CCCc2ccccc21 ZINC000412998275 191333855 /nfs/dbraw/zinc/33/38/55/191333855.db2.gz YHYYUKDWOIBYLQ-OCCSQVGLSA-N 0 0 236.380 3.568 20 0 BHADRN CC[C@@H](O)CS[C@@H]1CCCc2ccccc21 ZINC000412998276 191333472 /nfs/dbraw/zinc/33/34/72/191333472.db2.gz YHYYUKDWOIBYLQ-TZMCWYRMSA-N 0 0 236.380 3.568 20 0 BHADRN Clc1ccc(S[C@@H]2CCOC2)cc1Cl ZINC000412998366 191333834 /nfs/dbraw/zinc/33/38/34/191333834.db2.gz JWKMEUSYIUSTKM-MRVPVSSYSA-N 0 0 249.162 3.874 20 0 BHADRN Clc1ccc(S[C@H]2CCOC2)cc1Cl ZINC000412998367 191333727 /nfs/dbraw/zinc/33/37/27/191333727.db2.gz JWKMEUSYIUSTKM-QMMMGPOBSA-N 0 0 249.162 3.874 20 0 BHADRN CC(=O)[C@@H](C)SCc1ccc(C)cc1C ZINC000412998409 191333946 /nfs/dbraw/zinc/33/39/46/191333946.db2.gz KDCYYBMLUXULCB-GFCCVEGCSA-N 0 0 222.353 3.514 20 0 BHADRN CC(=O)[C@H](C)SCc1ccc(C)cc1C ZINC000412998412 191333379 /nfs/dbraw/zinc/33/33/79/191333379.db2.gz KDCYYBMLUXULCB-LBPRGKRZSA-N 0 0 222.353 3.514 20 0 BHADRN CC(C)c1nccn1CC1CCC(F)(F)CC1 ZINC000412998543 191333959 /nfs/dbraw/zinc/33/39/59/191333959.db2.gz JJMIATZRQGPXEG-UHFFFAOYSA-N 0 0 242.313 3.832 20 0 BHADRN Cc1cccnc1S[C@@H]1CCCC(C)(C)C1=O ZINC000412998587 191334139 /nfs/dbraw/zinc/33/41/39/191334139.db2.gz DBTADSMVIXCKGS-LLVKDONJSA-N 0 0 249.379 3.630 20 0 BHADRN Cc1cccnc1S[C@H]1CCCC(C)(C)C1=O ZINC000412998588 191333714 /nfs/dbraw/zinc/33/37/14/191333714.db2.gz DBTADSMVIXCKGS-NSHDSACASA-N 0 0 249.379 3.630 20 0 BHADRN CC(C)OC1CC(S[C@@H](C)C(C)C)C1 ZINC000412998835 191334711 /nfs/dbraw/zinc/33/47/11/191334711.db2.gz KLCKQAAYNNWSBQ-UNXYVOJBSA-N 0 0 216.390 3.720 20 0 BHADRN CC(C)OC1CC(S[C@H](C)C(C)C)C1 ZINC000412998836 191334834 /nfs/dbraw/zinc/33/48/34/191334834.db2.gz KLCKQAAYNNWSBQ-VOMCLLRMSA-N 0 0 216.390 3.720 20 0 BHADRN COC(C)(C)CCOc1c(F)cccc1Cl ZINC000412999044 191334989 /nfs/dbraw/zinc/33/49/89/191334989.db2.gz KBELJPQFUVQJFA-UHFFFAOYSA-N 0 0 246.709 3.673 20 0 BHADRN Cc1ccc(CS[C@H]2CCCOC2)c(C)c1 ZINC000412999121 191334998 /nfs/dbraw/zinc/33/49/98/191334998.db2.gz KJWAKXAZZANRIE-AWEZNQCLSA-N 0 0 236.380 3.716 20 0 BHADRN Cc1ccc(CS[C@@H]2CCCOC2)c(C)c1 ZINC000412999122 191334408 /nfs/dbraw/zinc/33/44/08/191334408.db2.gz KJWAKXAZZANRIE-CQSZACIVSA-N 0 0 236.380 3.716 20 0 BHADRN Cc1ccc(CSC2CCOCC2)c(C)c1 ZINC000412999197 191334664 /nfs/dbraw/zinc/33/46/64/191334664.db2.gz KRBXIRRTXKOCJO-UHFFFAOYSA-N 0 0 236.380 3.716 20 0 BHADRN CC(C)OC1CC(Sc2cccc(F)c2)C1 ZINC000412999323 191334695 /nfs/dbraw/zinc/33/46/95/191334695.db2.gz LOHPSNPBUHDQBX-UHFFFAOYSA-N 0 0 240.343 3.874 20 0 BHADRN Cc1cc(C)cc(CSCCc2cn[nH]c2)c1 ZINC000412999371 191335015 /nfs/dbraw/zinc/33/50/15/191335015.db2.gz LXQSHMMULKXMKD-UHFFFAOYSA-N 0 0 246.379 3.502 20 0 BHADRN CC(C)[C@@H](C)SCCCO[C@@H]1CCCCO1 ZINC000412999795 191334744 /nfs/dbraw/zinc/33/47/44/191334744.db2.gz NIAVKLDMRCUALI-CHWSQXEVSA-N 0 0 246.416 3.697 20 0 BHADRN CC(C)[C@@H](C)SCCCO[C@H]1CCCCO1 ZINC000412999796 191334251 /nfs/dbraw/zinc/33/42/51/191334251.db2.gz NIAVKLDMRCUALI-OLZOCXBDSA-N 0 0 246.416 3.697 20 0 BHADRN CC(C)[C@H](C)SCCCO[C@@H]1CCCCO1 ZINC000412999797 191334323 /nfs/dbraw/zinc/33/43/23/191334323.db2.gz NIAVKLDMRCUALI-QWHCGFSZSA-N 0 0 246.416 3.697 20 0 BHADRN CC(C)[C@H](C)SCCCO[C@H]1CCCCO1 ZINC000412999798 191335183 /nfs/dbraw/zinc/33/51/83/191335183.db2.gz NIAVKLDMRCUALI-STQMWFEESA-N 0 0 246.416 3.697 20 0 BHADRN CC[C@H](SCCc1cn[nH]c1)c1ccccc1 ZINC000413000126 191334972 /nfs/dbraw/zinc/33/49/72/191334972.db2.gz OJKUNYJQAVTPMF-AWEZNQCLSA-N 0 0 246.379 3.837 20 0 BHADRN CC[C@@H](SCCc1cn[nH]c1)c1ccccc1 ZINC000413000127 191334630 /nfs/dbraw/zinc/33/46/30/191334630.db2.gz OJKUNYJQAVTPMF-CQSZACIVSA-N 0 0 246.379 3.837 20 0 BHADRN CC(C)=CCSC1CC(OC(C)C)C1 ZINC000413000302 191334845 /nfs/dbraw/zinc/33/48/45/191334845.db2.gz ALBYQCYQLSXBMP-UHFFFAOYSA-N 0 0 214.374 3.642 20 0 BHADRN CCC(C)(C)C(=O)CSCCC(F)(F)F ZINC000413000326 191334940 /nfs/dbraw/zinc/33/49/40/191334940.db2.gz APBOKMWGSAAQLG-UHFFFAOYSA-N 0 0 242.306 3.677 20 0 BHADRN CCCCCS[C@H]1CCC(C)(C)C1=O ZINC000413000524 191334683 /nfs/dbraw/zinc/33/46/83/191334683.db2.gz NNBMHXPOUAMTLC-JTQLQIEISA-N 0 0 214.374 3.668 20 0 BHADRN CCCCCS[C@@H]1CCC(C)(C)C1=O ZINC000413000525 191335167 /nfs/dbraw/zinc/33/51/67/191335167.db2.gz NNBMHXPOUAMTLC-SNVBAGLBSA-N 0 0 214.374 3.668 20 0 BHADRN COC(C)(C)CCSCC(C)(C)C ZINC000413000582 191334703 /nfs/dbraw/zinc/33/47/03/191334703.db2.gz BBCXGHYFCZTTGE-UHFFFAOYSA-N 0 0 204.379 3.581 20 0 BHADRN CC[C@@H](C)CS[C@@H]1CCOC(C)(C)C1 ZINC000413000996 191336049 /nfs/dbraw/zinc/33/60/49/191336049.db2.gz QFNQMUYXCIULLJ-GHMZBOCLSA-N 0 0 216.390 3.723 20 0 BHADRN CC[C@@H](C)CS[C@H]1CCOC(C)(C)C1 ZINC000413000997 191335821 /nfs/dbraw/zinc/33/58/21/191335821.db2.gz QFNQMUYXCIULLJ-MNOVXSKESA-N 0 0 216.390 3.723 20 0 BHADRN CC[C@H](C)CS[C@H]1CCOC(C)(C)C1 ZINC000413000998 191335615 /nfs/dbraw/zinc/33/56/15/191335615.db2.gz QFNQMUYXCIULLJ-QWRGUYRKSA-N 0 0 216.390 3.723 20 0 BHADRN CC[C@H](C)CS[C@@H]1CCOC(C)(C)C1 ZINC000413001000 191336080 /nfs/dbraw/zinc/33/60/80/191336080.db2.gz QFNQMUYXCIULLJ-WDEREUQCSA-N 0 0 216.390 3.723 20 0 BHADRN Cc1ccc2oc(S[C@H](C)C(C)C)nc2n1 ZINC000413001060 191336335 /nfs/dbraw/zinc/33/63/35/191336335.db2.gz PCLRCJFQUYJRIG-SECBINFHSA-N 0 0 236.340 3.668 20 0 BHADRN Cc1ccc2oc(S[C@@H](C)C(C)C)nc2n1 ZINC000413001061 191335506 /nfs/dbraw/zinc/33/55/06/191335506.db2.gz PCLRCJFQUYJRIG-VIFPVBQESA-N 0 0 236.340 3.668 20 0 BHADRN CCCCCS[C@@H]1CCOC(C)(C)C1 ZINC000413001063 191336145 /nfs/dbraw/zinc/33/61/45/191336145.db2.gz PDJFUKFWQKPJKO-LLVKDONJSA-N 0 0 216.390 3.867 20 0 BHADRN CCCCCS[C@H]1CCOC(C)(C)C1 ZINC000413001064 191335840 /nfs/dbraw/zinc/33/58/40/191335840.db2.gz PDJFUKFWQKPJKO-NSHDSACASA-N 0 0 216.390 3.867 20 0 BHADRN CCC(C)(C)C(=O)CSCC=C(C)C ZINC000413001266 191335536 /nfs/dbraw/zinc/33/55/36/191335536.db2.gz CPVFHVQDDRENNK-UHFFFAOYSA-N 0 0 214.374 3.691 20 0 BHADRN CCOCCSCC1CCC(F)(F)CC1 ZINC000413001418 191336324 /nfs/dbraw/zinc/33/63/24/191336324.db2.gz RLVYZAYFUCURLR-UHFFFAOYSA-N 0 0 238.343 3.582 20 0 BHADRN CC(=O)[C@@H](C)SCC1CCC(F)(F)CC1 ZINC000413001479 191335385 /nfs/dbraw/zinc/33/53/85/191335385.db2.gz RRHHPROAPDUNQL-SECBINFHSA-N 0 0 236.327 3.523 20 0 BHADRN CC(=O)[C@H](C)SCC1CCC(F)(F)CC1 ZINC000413001481 191335852 /nfs/dbraw/zinc/33/58/52/191335852.db2.gz RRHHPROAPDUNQL-VIFPVBQESA-N 0 0 236.327 3.523 20 0 BHADRN CCC[C@@H](O)CSC[C@H](C)c1ccccc1 ZINC000413001529 191336087 /nfs/dbraw/zinc/33/60/87/191336087.db2.gz CUJTUAFVJGGSLO-GXTWGEPZSA-N 0 0 238.396 3.684 20 0 BHADRN CCC[C@H](O)CSC[C@H](C)c1ccccc1 ZINC000413001530 191335868 /nfs/dbraw/zinc/33/58/68/191335868.db2.gz CUJTUAFVJGGSLO-JSGCOSHPSA-N 0 0 238.396 3.684 20 0 BHADRN CCC[C@H](O)CSC[C@@H](C)c1ccccc1 ZINC000413001531 191335460 /nfs/dbraw/zinc/33/54/60/191335460.db2.gz CUJTUAFVJGGSLO-OCCSQVGLSA-N 0 0 238.396 3.684 20 0 BHADRN CCC[C@@H](O)CSC[C@@H](C)c1ccccc1 ZINC000413001532 191335398 /nfs/dbraw/zinc/33/53/98/191335398.db2.gz CUJTUAFVJGGSLO-TZMCWYRMSA-N 0 0 238.396 3.684 20 0 BHADRN CC(C)OC1CC(SCCC(F)(F)F)C1 ZINC000413001579 191335688 /nfs/dbraw/zinc/33/56/88/191335688.db2.gz DEICFUNWTMQWMI-UHFFFAOYSA-N 0 0 242.306 3.628 20 0 BHADRN CCC[C@@H](CC)SCCC1(O)CCC1 ZINC000413001611 191335938 /nfs/dbraw/zinc/33/59/38/191335938.db2.gz DJHJSNSRNREHMS-LLVKDONJSA-N 0 0 216.390 3.603 20 0 BHADRN CCC[C@H](CC)SCCC1(O)CCC1 ZINC000413001613 191335445 /nfs/dbraw/zinc/33/54/45/191335445.db2.gz DJHJSNSRNREHMS-NSHDSACASA-N 0 0 216.390 3.603 20 0 BHADRN Cc1cnccc1S[C@@H]1CCCC(C)(C)C1=O ZINC000413001701 191335543 /nfs/dbraw/zinc/33/55/43/191335543.db2.gz MHSCPDQNFLKBHX-GFCCVEGCSA-N 0 0 249.379 3.630 20 0 BHADRN Cc1cnccc1S[C@H]1CCCC(C)(C)C1=O ZINC000413001702 191335417 /nfs/dbraw/zinc/33/54/17/191335417.db2.gz MHSCPDQNFLKBHX-LBPRGKRZSA-N 0 0 249.379 3.630 20 0 BHADRN CC(C)[C@@H](C)S[C@@H]1CCC(C)(C)C1=O ZINC000413001746 191335666 /nfs/dbraw/zinc/33/56/66/191335666.db2.gz SATBYEXPMWTEKG-NXEZZACHSA-N 0 0 214.374 3.522 20 0 BHADRN CC(C)[C@H](C)S[C@H]1CCC(C)(C)C1=O ZINC000413001747 191336003 /nfs/dbraw/zinc/33/60/03/191336003.db2.gz SATBYEXPMWTEKG-UWVGGRQHSA-N 0 0 214.374 3.522 20 0 BHADRN CC(C)[C@H](C)S[C@@H]1CCC(C)(C)C1=O ZINC000413001748 191336069 /nfs/dbraw/zinc/33/60/69/191336069.db2.gz SATBYEXPMWTEKG-VHSXEESVSA-N 0 0 214.374 3.522 20 0 BHADRN CC(C)[C@@H](C)S[C@H]1CCC(C)(C)C1=O ZINC000413001749 191335618 /nfs/dbraw/zinc/33/56/18/191335618.db2.gz SATBYEXPMWTEKG-ZJUUUORDSA-N 0 0 214.374 3.522 20 0 BHADRN COC(C)(C)CCS[C@@H](C)C(C)C ZINC000413001770 191335896 /nfs/dbraw/zinc/33/58/96/191335896.db2.gz SDSYMJIIGUIXIV-JTQLQIEISA-N 0 0 204.379 3.579 20 0 BHADRN COC(C)(C)CCS[C@H](C)C(C)C ZINC000413001771 191336195 /nfs/dbraw/zinc/33/61/95/191336195.db2.gz SDSYMJIIGUIXIV-SNVBAGLBSA-N 0 0 204.379 3.579 20 0 BHADRN c1ccc(CCCCS[C@H]2CCOC2)cc1 ZINC000413002016 191335816 /nfs/dbraw/zinc/33/58/16/191335816.db2.gz FHROXRWAGUFWNY-AWEZNQCLSA-N 0 0 236.380 3.531 20 0 BHADRN c1ccc(CCCCS[C@@H]2CCOC2)cc1 ZINC000413002017 191335987 /nfs/dbraw/zinc/33/59/87/191335987.db2.gz FHROXRWAGUFWNY-CQSZACIVSA-N 0 0 236.380 3.531 20 0 BHADRN CC(C)[C@@H](C)S[C@@H]1CCOC(C)(C)C1 ZINC000413002181 191335958 /nfs/dbraw/zinc/33/59/58/191335958.db2.gz TVDYONBCBNBUGC-GHMZBOCLSA-N 0 0 216.390 3.722 20 0 BHADRN CC(C)[C@@H](C)S[C@H]1CCOC(C)(C)C1 ZINC000413002182 191336314 /nfs/dbraw/zinc/33/63/14/191336314.db2.gz TVDYONBCBNBUGC-MNOVXSKESA-N 0 0 216.390 3.722 20 0 BHADRN CC(C)[C@H](C)S[C@H]1CCOC(C)(C)C1 ZINC000413002183 191335877 /nfs/dbraw/zinc/33/58/77/191335877.db2.gz TVDYONBCBNBUGC-QWRGUYRKSA-N 0 0 216.390 3.722 20 0 BHADRN CC(C)[C@H](C)S[C@@H]1CCOC(C)(C)C1 ZINC000413002184 191335728 /nfs/dbraw/zinc/33/57/28/191335728.db2.gz TVDYONBCBNBUGC-WDEREUQCSA-N 0 0 216.390 3.722 20 0 BHADRN Cc1occc1S[C@@H]1CCCC(C)(C)C1=O ZINC000413002298 191336101 /nfs/dbraw/zinc/33/61/01/191336101.db2.gz RNDZCYVJWWDNML-LLVKDONJSA-N 0 0 238.352 3.828 20 0 BHADRN Cc1occc1S[C@H]1CCCC(C)(C)C1=O ZINC000413002299 191336097 /nfs/dbraw/zinc/33/60/97/191336097.db2.gz RNDZCYVJWWDNML-NSHDSACASA-N 0 0 238.352 3.828 20 0 BHADRN Cc1ccc(Cn2ccnc2C(C)C)c(C)c1 ZINC000413002321 191335561 /nfs/dbraw/zinc/33/55/61/191335561.db2.gz RSJCHTZJMPVZLZ-UHFFFAOYSA-N 0 0 228.339 3.672 20 0 BHADRN CC1(C)C[C@H](Sc2cccc(F)c2)CCO1 ZINC000413002512 191335972 /nfs/dbraw/zinc/33/59/72/191335972.db2.gz UUNKSWDCPSUTOT-GFCCVEGCSA-N 0 0 240.343 3.875 20 0 BHADRN CC1(C)C[C@@H](Sc2cccc(F)c2)CCO1 ZINC000413002513 191336171 /nfs/dbraw/zinc/33/61/71/191336171.db2.gz UUNKSWDCPSUTOT-LBPRGKRZSA-N 0 0 240.343 3.875 20 0 BHADRN C[C@H](Sc1ncc[nH]1)c1ccc2c(c1)CCC2 ZINC000413002875 191336524 /nfs/dbraw/zinc/33/65/24/191336524.db2.gz VJCRTXYJZRUSQS-JTQLQIEISA-N 0 0 244.363 3.752 20 0 BHADRN C[C@@H](Sc1ncc[nH]1)c1ccc2c(c1)CCC2 ZINC000413002876 191336961 /nfs/dbraw/zinc/33/69/61/191336961.db2.gz VJCRTXYJZRUSQS-SNVBAGLBSA-N 0 0 244.363 3.752 20 0 BHADRN Cc1cccc(CSCCc2cncs2)c1 ZINC000413002994 191336453 /nfs/dbraw/zinc/33/64/53/191336453.db2.gz PEQVTTQGWMJQDD-UHFFFAOYSA-N 0 0 249.404 3.927 20 0 BHADRN CC(C)(C)CS[C@H]1CCOC(C)(C)C1 ZINC000413003099 191337291 /nfs/dbraw/zinc/33/72/91/191337291.db2.gz HDSCPUGUAUHVDQ-JTQLQIEISA-N 0 0 216.390 3.723 20 0 BHADRN CC(C)(C)CS[C@@H]1CCOC(C)(C)C1 ZINC000413003101 191337310 /nfs/dbraw/zinc/33/73/10/191337310.db2.gz HDSCPUGUAUHVDQ-SNVBAGLBSA-N 0 0 216.390 3.723 20 0 BHADRN CCCNC(=O)CCCS[C@H](CC)CCC ZINC000413003113 191337183 /nfs/dbraw/zinc/33/71/83/191337183.db2.gz HGFQFOGRAOJNDS-GFCCVEGCSA-N 0 0 245.432 3.605 20 0 BHADRN CCCNC(=O)CCCS[C@@H](CC)CCC ZINC000413003115 191337119 /nfs/dbraw/zinc/33/71/19/191337119.db2.gz HGFQFOGRAOJNDS-LBPRGKRZSA-N 0 0 245.432 3.605 20 0 BHADRN CC(C)CCCSCCc1cncs1 ZINC000413003161 191336830 /nfs/dbraw/zinc/33/68/30/191336830.db2.gz UGYKHCRRIWTOPC-UHFFFAOYSA-N 0 0 229.414 3.855 20 0 BHADRN CC1(C)CC[C@@H](Sc2cccc(F)c2)C1=O ZINC000413003373 191337194 /nfs/dbraw/zinc/33/71/94/191337194.db2.gz WVMOGMNQLJABBN-LLVKDONJSA-N 0 0 238.327 3.676 20 0 BHADRN CC1(C)CC[C@H](Sc2cccc(F)c2)C1=O ZINC000413003377 191337449 /nfs/dbraw/zinc/33/74/49/191337449.db2.gz WVMOGMNQLJABBN-NSHDSACASA-N 0 0 238.327 3.676 20 0 BHADRN FC1(F)CCC(CSCC2CC2)CC1 ZINC000413003512 191337288 /nfs/dbraw/zinc/33/72/88/191337288.db2.gz QPZYRXQWKXQUCZ-UHFFFAOYSA-N 0 0 220.328 3.955 20 0 BHADRN CC[C@@H](C)CSCCCO[C@@H]1CCCCO1 ZINC000413003594 191336437 /nfs/dbraw/zinc/33/64/37/191336437.db2.gz XLFZAAYKRGBARP-CHWSQXEVSA-N 0 0 246.416 3.699 20 0 BHADRN CC[C@@H](C)CSCCCO[C@H]1CCCCO1 ZINC000413003595 191337342 /nfs/dbraw/zinc/33/73/42/191337342.db2.gz XLFZAAYKRGBARP-OLZOCXBDSA-N 0 0 246.416 3.699 20 0 BHADRN CC[C@H](C)CSCCCO[C@@H]1CCCCO1 ZINC000413003597 191336777 /nfs/dbraw/zinc/33/67/77/191336777.db2.gz XLFZAAYKRGBARP-QWHCGFSZSA-N 0 0 246.416 3.699 20 0 BHADRN CC[C@H](C)CSCCCO[C@H]1CCCCO1 ZINC000413003598 191337229 /nfs/dbraw/zinc/33/72/29/191337229.db2.gz XLFZAAYKRGBARP-STQMWFEESA-N 0 0 246.416 3.699 20 0 BHADRN CC1(C)C[C@H](SCCC(F)(F)F)CCO1 ZINC000413003678 191337137 /nfs/dbraw/zinc/33/71/37/191337137.db2.gz INGXPRLYOFJHJH-MRVPVSSYSA-N 0 0 242.306 3.630 20 0 BHADRN CC1(C)C[C@@H](SCCC(F)(F)F)CCO1 ZINC000413003679 191337421 /nfs/dbraw/zinc/33/74/21/191337421.db2.gz INGXPRLYOFJHJH-QMMMGPOBSA-N 0 0 242.306 3.630 20 0 BHADRN CC[C@@H](C)CS[C@H](C)c1nnc(C)s1 ZINC000413003765 191336496 /nfs/dbraw/zinc/33/64/96/191336496.db2.gz XUKSGFHIPZPYRM-HTQZYQBOSA-N 0 0 230.402 3.687 20 0 BHADRN CC[C@H](C)CS[C@H](C)c1nnc(C)s1 ZINC000413003766 191336667 /nfs/dbraw/zinc/33/66/67/191336667.db2.gz XUKSGFHIPZPYRM-JGVFFNPUSA-N 0 0 230.402 3.687 20 0 BHADRN CC[C@@H](C)CS[C@@H](C)c1nnc(C)s1 ZINC000413003767 191337407 /nfs/dbraw/zinc/33/74/07/191337407.db2.gz XUKSGFHIPZPYRM-SFYZADRCSA-N 0 0 230.402 3.687 20 0 BHADRN CC[C@H](C)CS[C@@H](C)c1nnc(C)s1 ZINC000413003768 191337086 /nfs/dbraw/zinc/33/70/86/191337086.db2.gz XUKSGFHIPZPYRM-YUMQZZPRSA-N 0 0 230.402 3.687 20 0 BHADRN CC(C)=CCS[C@@H]1CCCC(C)(C)C1=O ZINC000413003934 191336483 /nfs/dbraw/zinc/33/64/83/191336483.db2.gz JHMOHNBDUOENNE-LLVKDONJSA-N 0 0 226.385 3.834 20 0 BHADRN CC(C)=CCS[C@H]1CCCC(C)(C)C1=O ZINC000413003936 191336519 /nfs/dbraw/zinc/33/65/19/191336519.db2.gz JHMOHNBDUOENNE-NSHDSACASA-N 0 0 226.385 3.834 20 0 BHADRN CC(C)OC1CC(SCC(C)(C)C)C1 ZINC000413004108 191337123 /nfs/dbraw/zinc/33/71/23/191337123.db2.gz JVZXJKREMPTHMC-UHFFFAOYSA-N 0 0 216.390 3.722 20 0 BHADRN CC1(CSCCc2cn[nH]c2)CCCCC1 ZINC000413004277 191337130 /nfs/dbraw/zinc/33/71/30/191337130.db2.gz SJIKCEZOTWKOPV-UHFFFAOYSA-N 0 0 238.400 3.656 20 0 BHADRN CCCc1nccn1CC1CCC(F)(F)CC1 ZINC000413004280 191336843 /nfs/dbraw/zinc/33/68/43/191336843.db2.gz WHEYBNMPIRCUCX-UHFFFAOYSA-N 0 0 242.313 3.661 20 0 BHADRN CC(C)(SCCc1cn[nH]c1)c1ccccc1 ZINC000413004683 191336573 /nfs/dbraw/zinc/33/65/73/191336573.db2.gz KSIRNMPXVCHLAQ-UHFFFAOYSA-N 0 0 246.379 3.621 20 0 BHADRN CC(C)[C@@H](O)CSc1cc(Cl)ccc1F ZINC000413005100 191337853 /nfs/dbraw/zinc/33/78/53/191337853.db2.gz UYXKTLOFWALUCR-JTQLQIEISA-N 0 0 248.750 3.588 20 0 BHADRN CC(C)[C@H](O)CSc1cc(Cl)ccc1F ZINC000413005103 191337800 /nfs/dbraw/zinc/33/78/00/191337800.db2.gz UYXKTLOFWALUCR-SNVBAGLBSA-N 0 0 248.750 3.588 20 0 BHADRN CCC[C@@H](O)CSc1cc(Cl)ccc1F ZINC000413005179 191337675 /nfs/dbraw/zinc/33/76/75/191337675.db2.gz VFEBJNYOSNLDCO-SECBINFHSA-N 0 0 248.750 3.732 20 0 BHADRN CCC[C@H](O)CSc1cc(Cl)ccc1F ZINC000413005181 191338325 /nfs/dbraw/zinc/33/83/25/191338325.db2.gz VFEBJNYOSNLDCO-VIFPVBQESA-N 0 0 248.750 3.732 20 0 BHADRN CC1(CSCc2cnns2)CCCCC1 ZINC000413005702 191338242 /nfs/dbraw/zinc/33/82/42/191338242.db2.gz WWUAZNXCKWXQJY-UHFFFAOYSA-N 0 0 242.413 3.742 20 0 BHADRN CC(C)(C)CSCc1ccncc1F ZINC000413006029 191338388 /nfs/dbraw/zinc/33/83/88/191338388.db2.gz NYQLAOLTHBYCKR-UHFFFAOYSA-N 0 0 213.321 3.500 20 0 BHADRN CSCCCSCC1CC(F)(F)C1 ZINC000413006418 191338463 /nfs/dbraw/zinc/33/84/63/191338463.db2.gz FBQQVAIFQILWEK-UHFFFAOYSA-N 0 0 226.357 3.518 20 0 BHADRN CSCCCSC[C@@H]1CCC(F)(F)C1 ZINC000413006431 191338258 /nfs/dbraw/zinc/33/82/58/191338258.db2.gz FEVDZTRAINLFEF-SECBINFHSA-N 0 0 240.384 3.908 20 0 BHADRN CSCCCSC[C@H]1CCC(F)(F)C1 ZINC000413006432 191338396 /nfs/dbraw/zinc/33/83/96/191338396.db2.gz FEVDZTRAINLFEF-VIFPVBQESA-N 0 0 240.384 3.908 20 0 BHADRN CC1(C)CCC(SCCc2cn[nH]c2)CC1 ZINC000413006569 191337775 /nfs/dbraw/zinc/33/77/75/191337775.db2.gz PFFMCFXPIYTRKJ-UHFFFAOYSA-N 0 0 238.400 3.654 20 0 BHADRN CC(C)[C@H](O)CSC[C@H](C)c1ccccc1 ZINC000413006653 191338287 /nfs/dbraw/zinc/33/82/87/191338287.db2.gz PSPYOVPWFQUNCX-GXTWGEPZSA-N 0 0 238.396 3.540 20 0 BHADRN CC(C)[C@@H](O)CSC[C@H](C)c1ccccc1 ZINC000413006654 191338378 /nfs/dbraw/zinc/33/83/78/191338378.db2.gz PSPYOVPWFQUNCX-JSGCOSHPSA-N 0 0 238.396 3.540 20 0 BHADRN CC(C)[C@@H](O)CSC[C@@H](C)c1ccccc1 ZINC000413006656 191338076 /nfs/dbraw/zinc/33/80/76/191338076.db2.gz PSPYOVPWFQUNCX-OCCSQVGLSA-N 0 0 238.396 3.540 20 0 BHADRN CC(C)[C@H](O)CSC[C@@H](C)c1ccccc1 ZINC000413006658 191338365 /nfs/dbraw/zinc/33/83/65/191338365.db2.gz PSPYOVPWFQUNCX-TZMCWYRMSA-N 0 0 238.396 3.540 20 0 BHADRN CSCCCSC1CC(OC(C)(C)C)C1 ZINC000413006786 191337896 /nfs/dbraw/zinc/33/78/96/191337896.db2.gz GJQDULCGMJUCJY-UHFFFAOYSA-N 0 0 248.457 3.819 20 0 BHADRN Cc1ccc(CSc2ncco2)c(C)c1 ZINC000413006788 191337747 /nfs/dbraw/zinc/33/77/47/191337747.db2.gz PYSOCGCNYGZIFD-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN CC(C)=CCS[C@@H]1CCOC(C)(C)C1 ZINC000413006888 191337923 /nfs/dbraw/zinc/33/79/23/191337923.db2.gz QTAAFLCRWHYJRV-LLVKDONJSA-N 0 0 214.374 3.643 20 0 BHADRN CC(C)=CCS[C@H]1CCOC(C)(C)C1 ZINC000413006889 191337636 /nfs/dbraw/zinc/33/76/36/191337636.db2.gz QTAAFLCRWHYJRV-NSHDSACASA-N 0 0 214.374 3.643 20 0 BHADRN CCc1ccc(CSCCCSC)nc1 ZINC000413007070 191337678 /nfs/dbraw/zinc/33/76/78/191337678.db2.gz HVUGWQMVVQQTDB-UHFFFAOYSA-N 0 0 241.425 3.630 20 0 BHADRN CSCCCS[C@@H]1CC[C@@H](C)C1 ZINC000413007176 191337926 /nfs/dbraw/zinc/33/79/26/191337926.db2.gz ICEGTRQQRSHNSC-NXEZZACHSA-N 0 0 204.404 3.661 20 0 BHADRN CSCCCS[C@H]1CC[C@H](C)C1 ZINC000413007177 191338398 /nfs/dbraw/zinc/33/83/98/191338398.db2.gz ICEGTRQQRSHNSC-UWVGGRQHSA-N 0 0 204.404 3.661 20 0 BHADRN CSCCCS[C@@H]1CC[C@H](C)C1 ZINC000413007178 191337528 /nfs/dbraw/zinc/33/75/28/191337528.db2.gz ICEGTRQQRSHNSC-VHSXEESVSA-N 0 0 204.404 3.661 20 0 BHADRN CSCCCS[C@H]1CC[C@@H](C)C1 ZINC000413007179 191338249 /nfs/dbraw/zinc/33/82/49/191338249.db2.gz ICEGTRQQRSHNSC-ZJUUUORDSA-N 0 0 204.404 3.661 20 0 BHADRN CCC[C@H](CC)SCCc1cncs1 ZINC000413007259 191338312 /nfs/dbraw/zinc/33/83/12/191338312.db2.gz SBXZZPVRCNEAQL-JTQLQIEISA-N 0 0 229.414 3.998 20 0 BHADRN CCC[C@@H](CC)SCCc1cncs1 ZINC000413007261 191338356 /nfs/dbraw/zinc/33/83/56/191338356.db2.gz SBXZZPVRCNEAQL-SNVBAGLBSA-N 0 0 229.414 3.998 20 0 BHADRN CSCCCSCCC(C)(F)F ZINC000413007407 191338073 /nfs/dbraw/zinc/33/80/73/191338073.db2.gz JFTSQEDDLJXMPJ-UHFFFAOYSA-N 0 0 214.346 3.518 20 0 BHADRN Cc1coc(SCc2ccc(C)cc2C)n1 ZINC000413007747 191338781 /nfs/dbraw/zinc/33/87/81/191338781.db2.gz VDUHYFRVZBPWDZ-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN CSCCCSCc1ncc(C2CC2)o1 ZINC000413007784 191338809 /nfs/dbraw/zinc/33/88/09/191338809.db2.gz KWOCWILJXJNCHF-UHFFFAOYSA-N 0 0 243.397 3.538 20 0 BHADRN CSCCCS[C@H](C)c1ncc(C)o1 ZINC000413007812 191338926 /nfs/dbraw/zinc/33/89/26/191338926.db2.gz LDPPCKKXLCNIQM-SECBINFHSA-N 0 0 231.386 3.530 20 0 BHADRN CSCCCS[C@@H](C)c1ncc(C)o1 ZINC000413007813 191338872 /nfs/dbraw/zinc/33/88/72/191338872.db2.gz LDPPCKKXLCNIQM-VIFPVBQESA-N 0 0 231.386 3.530 20 0 BHADRN Cc1coc(SCC2CCC(F)(F)CC2)n1 ZINC000413007926 191338670 /nfs/dbraw/zinc/33/86/70/191338670.db2.gz WAUYUVXLTCFRAS-UHFFFAOYSA-N 0 0 247.310 3.901 20 0 BHADRN CSCCCSCCOCC1CCCC1 ZINC000413007960 191338567 /nfs/dbraw/zinc/33/85/67/191338567.db2.gz LOQBRYXNARXLBQ-UHFFFAOYSA-N 0 0 248.457 3.680 20 0 BHADRN CSCCCSC[C@H]1CCCC1(F)F ZINC000413008011 191338584 /nfs/dbraw/zinc/33/85/84/191338584.db2.gz MBCJVWHOEZSVQV-SECBINFHSA-N 0 0 240.384 3.908 20 0 BHADRN CSCCCSC[C@@H]1CCCC1(F)F ZINC000413008012 191338910 /nfs/dbraw/zinc/33/89/10/191338910.db2.gz MBCJVWHOEZSVQV-VIFPVBQESA-N 0 0 240.384 3.908 20 0 BHADRN CC(C)[C@H](O)CSC(C)(C)c1ccccc1 ZINC000413008093 191338975 /nfs/dbraw/zinc/33/89/75/191338975.db2.gz WLPBUZLZYKRKFK-CYBMUJFWSA-N 0 0 238.396 3.672 20 0 BHADRN CC(C)[C@@H](O)CSC(C)(C)c1ccccc1 ZINC000413008094 191338875 /nfs/dbraw/zinc/33/88/75/191338875.db2.gz WLPBUZLZYKRKFK-ZDUSSCGKSA-N 0 0 238.396 3.672 20 0 BHADRN c1ccc(C2CC2)c(CS[C@@H]2CCOC2)c1 ZINC000413008136 191338826 /nfs/dbraw/zinc/33/88/26/191338826.db2.gz WSCBXVRJICKRCY-CYBMUJFWSA-N 0 0 234.364 3.586 20 0 BHADRN c1ccc(C2CC2)c(CS[C@H]2CCOC2)c1 ZINC000413008137 191338956 /nfs/dbraw/zinc/33/89/56/191338956.db2.gz WSCBXVRJICKRCY-ZDUSSCGKSA-N 0 0 234.364 3.586 20 0 BHADRN CSCCCSCc1cnoc1C1CC1 ZINC000413008148 191338784 /nfs/dbraw/zinc/33/87/84/191338784.db2.gz MNCJRFXTAOHNBZ-UHFFFAOYSA-N 0 0 243.397 3.538 20 0 BHADRN CC1(C)CCC(SCc2cnns2)CC1 ZINC000413008428 191338844 /nfs/dbraw/zinc/33/88/44/191338844.db2.gz XMRSAHDHUPRMLN-UHFFFAOYSA-N 0 0 242.413 3.740 20 0 BHADRN CSCCCSCCCc1ccncc1 ZINC000413008535 191338627 /nfs/dbraw/zinc/33/86/27/191338627.db2.gz OKALJCYETLRLGQ-UHFFFAOYSA-N 0 0 241.425 3.501 20 0 BHADRN CSCCCS[C@H]1C=CCCC1 ZINC000413008545 191339150 /nfs/dbraw/zinc/33/91/50/191339150.db2.gz OMWQHSLTHVREIF-JTQLQIEISA-N 0 0 202.388 3.581 20 0 BHADRN CSCCCS[C@@H]1C=CCCC1 ZINC000413008546 191338750 /nfs/dbraw/zinc/33/87/50/191338750.db2.gz OMWQHSLTHVREIF-SNVBAGLBSA-N 0 0 202.388 3.581 20 0 BHADRN CSCCCSCc1ccncc1Cl ZINC000413008740 191339060 /nfs/dbraw/zinc/33/90/60/191339060.db2.gz PILPXNVQMUVZLE-UHFFFAOYSA-N 0 0 247.816 3.721 20 0 BHADRN CC(C)(C)CS[C@@H]1CCC(C)(C)C1=O ZINC000413008930 191339122 /nfs/dbraw/zinc/33/91/22/191339122.db2.gz ZQCYRYYBXSEYBI-SECBINFHSA-N 0 0 214.374 3.523 20 0 BHADRN CC(C)(C)CS[C@H]1CCC(C)(C)C1=O ZINC000413008931 191338837 /nfs/dbraw/zinc/33/88/37/191338837.db2.gz ZQCYRYYBXSEYBI-VIFPVBQESA-N 0 0 214.374 3.523 20 0 BHADRN COc1ccc(CSCCCSC)cc1 ZINC000413009442 490272313 /nfs/dbraw/zinc/27/23/13/490272313.db2.gz RFUGCWDDHREIMR-UHFFFAOYSA-N 0 0 242.409 3.682 20 0 BHADRN CCc1nc(C)c(CSCCCSC)o1 ZINC000413009861 200744708 /nfs/dbraw/zinc/74/47/08/200744708.db2.gz SJDHZQZFTBCUPZ-UHFFFAOYSA-N 0 0 245.413 3.532 20 0 BHADRN CSCCCS[C@H]1CCCC(C)(C)C1=O ZINC000413009888 385820809 /nfs/dbraw/zinc/82/08/09/385820809.db2.gz SJWMIUBIRSDBBJ-JTQLQIEISA-N 0 0 246.441 3.621 20 0 BHADRN CSCCCS[C@@H]1CCCC(C)(C)C1=O ZINC000413009889 385820883 /nfs/dbraw/zinc/82/08/83/385820883.db2.gz SJWMIUBIRSDBBJ-SNVBAGLBSA-N 0 0 246.441 3.621 20 0 BHADRN OCCCSCc1ccc(C2CCC2)cc1 ZINC000413012290 490272505 /nfs/dbraw/zinc/27/25/05/490272505.db2.gz DSNKDBALERRGSG-UHFFFAOYSA-N 0 0 236.380 3.570 20 0 BHADRN CSCCCSCCOCCC(C)C ZINC000413012296 490272647 /nfs/dbraw/zinc/27/26/47/490272647.db2.gz WPPMZDFFOBKBHU-UHFFFAOYSA-N 0 0 236.446 3.535 20 0 BHADRN CC[C@@H](SCCCO)c1ccc(Cl)cc1 ZINC000413012773 398210833 /nfs/dbraw/zinc/21/08/33/398210833.db2.gz GBDDXGSKYSRTSM-GFCCVEGCSA-N 0 0 244.787 3.907 20 0 BHADRN CC[C@H](SCCCO)c1ccc(Cl)cc1 ZINC000413012775 398210815 /nfs/dbraw/zinc/21/08/15/398210815.db2.gz GBDDXGSKYSRTSM-LBPRGKRZSA-N 0 0 244.787 3.907 20 0 BHADRN CSCCCSCC1(C)CCC1 ZINC000413013369 385821358 /nfs/dbraw/zinc/82/13/58/385821358.db2.gz YJSAMIGNFMJZTN-UHFFFAOYSA-N 0 0 204.404 3.663 20 0 BHADRN C[C@@H](SCCCO)c1cccc(Cl)c1F ZINC000413013451 385821304 /nfs/dbraw/zinc/82/13/04/385821304.db2.gz HJEFPXSJJZKRBC-MRVPVSSYSA-N 0 0 248.750 3.656 20 0 BHADRN C[C@H](SCCCO)c1cccc(Cl)c1F ZINC000413013454 385821417 /nfs/dbraw/zinc/82/14/17/385821417.db2.gz HJEFPXSJJZKRBC-QMMMGPOBSA-N 0 0 248.750 3.656 20 0 BHADRN C[C@H](Sc1ccc2n[nH]cc2c1)C(F)(F)F ZINC000413014220 398211575 /nfs/dbraw/zinc/21/15/75/398211575.db2.gz CHZVUBDNJJBVRK-LURJTMIESA-N 0 0 246.257 3.606 20 0 BHADRN C[C@@H](Sc1ccc2n[nH]cc2c1)C(F)(F)F ZINC000413014221 398211752 /nfs/dbraw/zinc/21/17/52/398211752.db2.gz CHZVUBDNJJBVRK-ZCFIWIBFSA-N 0 0 246.257 3.606 20 0 BHADRN C[C@@H](O)CS[C@H](C)c1cccc(Cl)c1F ZINC000413014675 200745000 /nfs/dbraw/zinc/74/50/00/200745000.db2.gz IRSVKCNARFAHIP-HTQZYQBOSA-N 0 0 248.750 3.654 20 0 BHADRN C[C@@H](SC[C@H](C)O)c1cccc(Cl)c1F ZINC000413014676 398211656 /nfs/dbraw/zinc/21/16/56/398211656.db2.gz IRSVKCNARFAHIP-JGVFFNPUSA-N 0 0 248.750 3.654 20 0 BHADRN C[C@@H](O)CS[C@@H](C)c1cccc(Cl)c1F ZINC000413014677 200745462 /nfs/dbraw/zinc/74/54/62/200745462.db2.gz IRSVKCNARFAHIP-SFYZADRCSA-N 0 0 248.750 3.654 20 0 BHADRN C[C@H](O)CS[C@@H](C)c1cccc(Cl)c1F ZINC000413014678 200745024 /nfs/dbraw/zinc/74/50/24/200745024.db2.gz IRSVKCNARFAHIP-YUMQZZPRSA-N 0 0 248.750 3.654 20 0 BHADRN C[C@@H](F)CCSCc1nc2ccccc2[nH]1 ZINC000413014729 398211640 /nfs/dbraw/zinc/21/16/40/398211640.db2.gz IWFWFRKVIHHXDT-SECBINFHSA-N 0 0 238.331 3.544 20 0 BHADRN C[C@H](F)CCSCc1nc2ccccc2[nH]1 ZINC000413014730 398211728 /nfs/dbraw/zinc/21/17/28/398211728.db2.gz IWFWFRKVIHHXDT-VIFPVBQESA-N 0 0 238.331 3.544 20 0 BHADRN FC(F)(F)CCSc1ccc2n[nH]cc2c1 ZINC000413015321 200745571 /nfs/dbraw/zinc/74/55/71/200745571.db2.gz FHSHVECROPTJDN-UHFFFAOYSA-N 0 0 246.257 3.607 20 0 BHADRN C[C@@H](O)CS[C@@H]1CCCCc2ccccc21 ZINC000413015423 200745140 /nfs/dbraw/zinc/74/51/40/200745140.db2.gz KEHQOGNCPFXEHE-BXUZGUMPSA-N 0 0 236.380 3.568 20 0 BHADRN C[C@@H](O)CS[C@H]1CCCCc2ccccc21 ZINC000413015429 385821866 /nfs/dbraw/zinc/82/18/66/385821866.db2.gz KEHQOGNCPFXEHE-RISCZKNCSA-N 0 0 236.380 3.568 20 0 BHADRN FCCCOc1cc(C(F)(F)F)ccc1F ZINC000413015542 200745357 /nfs/dbraw/zinc/74/53/57/200745357.db2.gz KUGHCGXZLBKZGU-UHFFFAOYSA-N 0 0 240.171 3.583 20 0 BHADRN CC(F)(F)CCSc1ccc2n[nH]cc2c1 ZINC000413015790 191340512 /nfs/dbraw/zinc/34/05/12/191340512.db2.gz GECXGVKGOYJBAH-UHFFFAOYSA-N 0 0 242.294 3.700 20 0 BHADRN CC[C@H](SC[C@@H](C)O)c1ccc(F)cc1F ZINC000413015846 191340800 /nfs/dbraw/zinc/34/08/00/191340800.db2.gz KNWANDNCBLSKMY-PELKAZGASA-N 0 0 246.322 3.530 20 0 BHADRN CC[C@@H](SC[C@@H](C)O)c1ccc(F)cc1F ZINC000413015848 191340842 /nfs/dbraw/zinc/34/08/42/191340842.db2.gz KNWANDNCBLSKMY-PRHODGIISA-N 0 0 246.322 3.530 20 0 BHADRN CC[C@@H](SC[C@H](C)O)c1ccc(F)cc1F ZINC000413015850 191340814 /nfs/dbraw/zinc/34/08/14/191340814.db2.gz KNWANDNCBLSKMY-QPUJVOFHSA-N 0 0 246.322 3.530 20 0 BHADRN CC[C@H](SC[C@H](C)O)c1ccc(F)cc1F ZINC000413015852 191340427 /nfs/dbraw/zinc/34/04/27/191340427.db2.gz KNWANDNCBLSKMY-UFBFGSQYSA-N 0 0 246.322 3.530 20 0 BHADRN FCCCCCSc1ccc2n[nH]cc2c1 ZINC000413016443 323149826 /nfs/dbraw/zinc/14/98/26/323149826.db2.gz HNDYZRRYUXZGHH-UHFFFAOYSA-N 0 0 238.331 3.795 20 0 BHADRN OCCCS[C@H]1CCCCc2ccccc21 ZINC000413016660 411406297 /nfs/dbraw/zinc/40/62/97/411406297.db2.gz MPLZDJLOFNZMOA-AWEZNQCLSA-N 0 0 236.380 3.570 20 0 BHADRN OCCCS[C@@H]1CCCCc2ccccc21 ZINC000413016661 411406320 /nfs/dbraw/zinc/40/63/20/411406320.db2.gz MPLZDJLOFNZMOA-CQSZACIVSA-N 0 0 236.380 3.570 20 0 BHADRN CC[C@H](SC[C@H](C)O)c1ccc(Cl)cc1 ZINC000413018481 385822635 /nfs/dbraw/zinc/82/26/35/385822635.db2.gz QDXSZGFBDFXMRZ-CABZTGNLSA-N 0 0 244.787 3.905 20 0 BHADRN CC[C@@H](SC[C@H](C)O)c1ccc(Cl)cc1 ZINC000413018482 385823082 /nfs/dbraw/zinc/82/30/82/385823082.db2.gz QDXSZGFBDFXMRZ-JOYOIKCWSA-N 0 0 244.787 3.905 20 0 BHADRN C[C@@H](SCCCO)c1ccc(F)c(Cl)c1 ZINC000413018751 191341925 /nfs/dbraw/zinc/34/19/25/191341925.db2.gz SAWHODAIUDZBEV-MRVPVSSYSA-N 0 0 248.750 3.656 20 0 BHADRN C[C@H](SCCCO)c1ccc(F)c(Cl)c1 ZINC000413018752 191341519 /nfs/dbraw/zinc/34/15/19/191341519.db2.gz SAWHODAIUDZBEV-QMMMGPOBSA-N 0 0 248.750 3.656 20 0 BHADRN CC[C@@H](SCCCO)c1ccc(F)cc1F ZINC000413018764 191341926 /nfs/dbraw/zinc/34/19/26/191341926.db2.gz SDLPGKTYENWINX-GFCCVEGCSA-N 0 0 246.322 3.532 20 0 BHADRN CC[C@H](SCCCO)c1ccc(F)cc1F ZINC000413018765 191341259 /nfs/dbraw/zinc/34/12/59/191341259.db2.gz SDLPGKTYENWINX-LBPRGKRZSA-N 0 0 246.322 3.532 20 0 BHADRN Cc1ccc2ccccc2c1CSCCCO ZINC000413019116 191341512 /nfs/dbraw/zinc/34/15/12/191341512.db2.gz SYUKHQHMPDVZGE-UHFFFAOYSA-N 0 0 246.375 3.764 20 0 BHADRN Cc1cnc(COc2ccc(C)c(Cl)c2)o1 ZINC000413019433 191341802 /nfs/dbraw/zinc/34/18/02/191341802.db2.gz UVRRVCRFBRRPBB-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN Cc1ccc2ccccc2c1CSC[C@H](C)O ZINC000413020240 191341829 /nfs/dbraw/zinc/34/18/29/191341829.db2.gz VTFNMSPMDUDZGZ-LBPRGKRZSA-N 0 0 246.375 3.762 20 0 BHADRN Cc1cc(COc2ccc(C)c(Cl)c2)on1 ZINC000413020678 191342838 /nfs/dbraw/zinc/34/28/38/191342838.db2.gz XUQPTKCHRLSYLZ-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN Cc1cc(COc2ccc(C)c(Cl)c2)no1 ZINC000413020719 191342822 /nfs/dbraw/zinc/34/28/22/191342822.db2.gz YEEYAPRJYCWYND-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN C[C@H](CC(F)F)C(=O)Nc1ccccc1Cl ZINC000413022582 191343183 /nfs/dbraw/zinc/34/31/83/191343183.db2.gz FFDSDHKIXHDAON-SSDOTTSWSA-N 0 0 247.672 3.570 20 0 BHADRN C[C@@H](CC(F)F)C(=O)Nc1ccccc1Cl ZINC000413022583 191343414 /nfs/dbraw/zinc/34/34/14/191343414.db2.gz FFDSDHKIXHDAON-ZETCQYMHSA-N 0 0 247.672 3.570 20 0 BHADRN C[C@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1 ZINC000413022596 191343268 /nfs/dbraw/zinc/34/32/68/191343268.db2.gz FHWSKJGRMYMRET-SSDOTTSWSA-N 0 0 247.672 3.570 20 0 BHADRN C[C@@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1 ZINC000413022597 191343385 /nfs/dbraw/zinc/34/33/85/191343385.db2.gz FHWSKJGRMYMRET-ZETCQYMHSA-N 0 0 247.672 3.570 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H](C)CC(F)F)c1 ZINC000413022694 191343600 /nfs/dbraw/zinc/34/36/00/191343600.db2.gz FPKFPVNPCWECFR-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@H](C)CC(F)F)c1 ZINC000413022696 191343360 /nfs/dbraw/zinc/34/33/60/191343360.db2.gz FPKFPVNPCWECFR-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN c1[nH]nc2ccc(SC3CCCC3)cc12 ZINC000413025635 191343622 /nfs/dbraw/zinc/34/36/22/191343622.db2.gz RIAGPXABRXBUHL-UHFFFAOYSA-N 0 0 218.325 3.598 20 0 BHADRN C[C@H](CC(F)F)C(=O)Nc1cccc(Cl)c1 ZINC000413026739 191345217 /nfs/dbraw/zinc/34/52/17/191345217.db2.gz WAPXXKJDCGXNCB-SSDOTTSWSA-N 0 0 247.672 3.570 20 0 BHADRN C[C@@H](CC(F)F)C(=O)Nc1cccc(Cl)c1 ZINC000413026740 191344232 /nfs/dbraw/zinc/34/42/32/191344232.db2.gz WAPXXKJDCGXNCB-ZETCQYMHSA-N 0 0 247.672 3.570 20 0 BHADRN Cc1ccccc1NC(=O)C(C)(C)CC(F)F ZINC000413026803 191345508 /nfs/dbraw/zinc/34/55/08/191345508.db2.gz WTPRUCZXRQQGFG-UHFFFAOYSA-N 0 0 241.281 3.615 20 0 BHADRN CC(C)c1cnc(N[C@@H](C)c2cccnc2)s1 ZINC000413028892 191352724 /nfs/dbraw/zinc/35/27/24/191352724.db2.gz QQUXNVDSPXUJIB-JTQLQIEISA-N 0 0 247.367 3.835 20 0 BHADRN CC(C)c1cnc(N[C@H](C)c2cccnc2)s1 ZINC000413028893 191352743 /nfs/dbraw/zinc/35/27/43/191352743.db2.gz QQUXNVDSPXUJIB-SNVBAGLBSA-N 0 0 247.367 3.835 20 0 BHADRN CCC(C)(C)Nc1ncnc2scc(C)c21 ZINC000413046516 191349816 /nfs/dbraw/zinc/34/98/16/191349816.db2.gz ZZZRKTVPRSVPNB-UHFFFAOYSA-N 0 0 235.356 3.600 20 0 BHADRN C[C@H](CC(F)F)C(=O)NC(C)(C)CC(C)(C)C ZINC000413097158 191355223 /nfs/dbraw/zinc/35/52/23/191355223.db2.gz BBNDLGVYYKFPKG-SECBINFHSA-N 0 0 249.345 3.609 20 0 BHADRN C[C@@H](CC(F)F)C(=O)NC(C)(C)CC(C)(C)C ZINC000413097161 191355474 /nfs/dbraw/zinc/35/54/74/191355474.db2.gz BBNDLGVYYKFPKG-VIFPVBQESA-N 0 0 249.345 3.609 20 0 BHADRN Cc1ccc(C(=O)NC(C)(C)C)c2ccccc12 ZINC000413111914 191354823 /nfs/dbraw/zinc/35/48/23/191354823.db2.gz UQJVOXFTHFRXLZ-UHFFFAOYSA-N 0 0 241.334 3.677 20 0 BHADRN CCCN(CC(C)C)C(=O)C(C)(C)CC(F)F ZINC000413136141 191359268 /nfs/dbraw/zinc/35/92/68/191359268.db2.gz NNJUMPBIWFANSW-UHFFFAOYSA-N 0 0 249.345 3.562 20 0 BHADRN Cc1csc2ncnc(N[C@H]3CC=CCC3)c12 ZINC000413153653 191356291 /nfs/dbraw/zinc/35/62/91/191356291.db2.gz HSPCBCJRKJDBIQ-JTQLQIEISA-N 0 0 245.351 3.520 20 0 BHADRN Cc1csc2ncnc(N[C@@H]3CC=CCC3)c12 ZINC000413153654 191356333 /nfs/dbraw/zinc/35/63/33/191356333.db2.gz HSPCBCJRKJDBIQ-SNVBAGLBSA-N 0 0 245.351 3.520 20 0 BHADRN Cc1csc2ncnc(N[C@H]3C=CCCC3)c12 ZINC000413183717 191361925 /nfs/dbraw/zinc/36/19/25/191361925.db2.gz IORPNWGXNMXREK-JTQLQIEISA-N 0 0 245.351 3.520 20 0 BHADRN Cc1csc2ncnc(N[C@@H]3C=CCCC3)c12 ZINC000413183718 191361884 /nfs/dbraw/zinc/36/18/84/191361884.db2.gz IORPNWGXNMXREK-SNVBAGLBSA-N 0 0 245.351 3.520 20 0 BHADRN CCCCCN(C(=O)[C@H](C)CC(F)F)C(C)C ZINC000413203285 191363343 /nfs/dbraw/zinc/36/33/43/191363343.db2.gz MLXIALGRXFFBKB-LLVKDONJSA-N 0 0 249.345 3.705 20 0 BHADRN CCCCCN(C(=O)[C@@H](C)CC(F)F)C(C)C ZINC000413203286 191363347 /nfs/dbraw/zinc/36/33/47/191363347.db2.gz MLXIALGRXFFBKB-NSHDSACASA-N 0 0 249.345 3.705 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(C)C ZINC000413236439 191365273 /nfs/dbraw/zinc/36/52/73/191365273.db2.gz REVZODVVXRXADA-KBPBESRZSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1CCC[C@H]1C(C)C ZINC000413236442 191364779 /nfs/dbraw/zinc/36/47/79/191364779.db2.gz REVZODVVXRXADA-KGLIPLIRSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C(C)C ZINC000413236446 191364986 /nfs/dbraw/zinc/36/49/86/191364986.db2.gz REVZODVVXRXADA-UONOGXRCSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(C)C ZINC000413236449 191365225 /nfs/dbraw/zinc/36/52/25/191365225.db2.gz REVZODVVXRXADA-ZIAGYGMSSA-N 0 0 239.403 3.706 20 0 BHADRN FC1(F)CC(CCNc2ncccc2Cl)C1 ZINC000413343555 191373549 /nfs/dbraw/zinc/37/35/49/191373549.db2.gz XGOGRPSECLRELU-UHFFFAOYSA-N 0 0 246.688 3.582 20 0 BHADRN C[C@H](CC(C)(C)C)Nc1nccc(C(F)F)n1 ZINC000413349971 191373557 /nfs/dbraw/zinc/37/35/57/191373557.db2.gz IHEFLTMLASXFEC-MRVPVSSYSA-N 0 0 243.301 3.651 20 0 BHADRN C[C@@H](CC(C)(C)C)Nc1nccc(C(F)F)n1 ZINC000413349972 191374089 /nfs/dbraw/zinc/37/40/89/191374089.db2.gz IHEFLTMLASXFEC-QMMMGPOBSA-N 0 0 243.301 3.651 20 0 BHADRN C[C@H](CC(C)(C)C)Nc1ncc(C(F)F)cn1 ZINC000413353013 191373728 /nfs/dbraw/zinc/37/37/28/191373728.db2.gz OHXFNBVCRHGCAF-MRVPVSSYSA-N 0 0 243.301 3.651 20 0 BHADRN C[C@@H](CC(C)(C)C)Nc1ncc(C(F)F)cn1 ZINC000413353015 191374026 /nfs/dbraw/zinc/37/40/26/191374026.db2.gz OHXFNBVCRHGCAF-QMMMGPOBSA-N 0 0 243.301 3.651 20 0 BHADRN CC(=O)c1ccc(N[C@@H](C)CC(C)(C)C)nc1 ZINC000413361192 191374634 /nfs/dbraw/zinc/37/46/34/191374634.db2.gz ZYKVTSJNQNKNCI-JTQLQIEISA-N 0 0 234.343 3.521 20 0 BHADRN CC(=O)c1ccc(N[C@H](C)CC(C)(C)C)nc1 ZINC000413361195 191374700 /nfs/dbraw/zinc/37/47/00/191374700.db2.gz ZYKVTSJNQNKNCI-SNVBAGLBSA-N 0 0 234.343 3.521 20 0 BHADRN CCCCN(C(=O)[C@H](C)CC(F)F)[C@H](C)CC ZINC000413402180 191376017 /nfs/dbraw/zinc/37/60/17/191376017.db2.gz JKYKVKODMYKESX-GHMZBOCLSA-N 0 0 249.345 3.705 20 0 BHADRN CCCCN(C(=O)[C@H](C)CC(F)F)[C@@H](C)CC ZINC000413402182 191375846 /nfs/dbraw/zinc/37/58/46/191375846.db2.gz JKYKVKODMYKESX-MNOVXSKESA-N 0 0 249.345 3.705 20 0 BHADRN CCCCN(C(=O)[C@@H](C)CC(F)F)[C@@H](C)CC ZINC000413402186 191375578 /nfs/dbraw/zinc/37/55/78/191375578.db2.gz JKYKVKODMYKESX-QWRGUYRKSA-N 0 0 249.345 3.705 20 0 BHADRN CCCCN(C(=O)[C@@H](C)CC(F)F)[C@H](C)CC ZINC000413402189 191376405 /nfs/dbraw/zinc/37/64/05/191376405.db2.gz JKYKVKODMYKESX-WDEREUQCSA-N 0 0 249.345 3.705 20 0 BHADRN Cc1cnc(N[C@@H]2C[C@H]2c2ccccc2F)s1 ZINC000413411323 191381753 /nfs/dbraw/zinc/38/17/53/191381753.db2.gz QWPBWBLLSOORPA-CMPLNLGQSA-N 0 0 248.326 3.559 20 0 BHADRN Cc1cnc(NC2CCC(C(F)F)CC2)s1 ZINC000413439182 191380131 /nfs/dbraw/zinc/38/01/31/191380131.db2.gz JVRNIWQQRNLNJV-UHFFFAOYSA-N 0 0 246.326 3.687 20 0 BHADRN CC(C)c1cnc(N[C@@H]2CS[C@H](C)C2)s1 ZINC000413510649 191391391 /nfs/dbraw/zinc/39/13/91/191391391.db2.gz FVQZZCMTXRNHRJ-BDAKNGLRSA-N 0 0 242.413 3.572 20 0 BHADRN CC(C)c1cnc(N[C@H]2CS[C@@H](C)C2)s1 ZINC000413510652 191392020 /nfs/dbraw/zinc/39/20/20/191392020.db2.gz FVQZZCMTXRNHRJ-DTWKUNHWSA-N 0 0 242.413 3.572 20 0 BHADRN CC(C)c1cnc(N[C@@H]2CS[C@@H](C)C2)s1 ZINC000413510655 191391344 /nfs/dbraw/zinc/39/13/44/191391344.db2.gz FVQZZCMTXRNHRJ-IUCAKERBSA-N 0 0 242.413 3.572 20 0 BHADRN CC(C)c1cnc(N[C@H]2CS[C@H](C)C2)s1 ZINC000413510658 191391097 /nfs/dbraw/zinc/39/10/97/191391097.db2.gz FVQZZCMTXRNHRJ-RKDXNWHRSA-N 0 0 242.413 3.572 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H](C)CC(F)F ZINC000413529260 191392522 /nfs/dbraw/zinc/39/25/22/191392522.db2.gz IEPMQMWSAREFNH-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H](C)CC(F)F ZINC000413529261 191393298 /nfs/dbraw/zinc/39/32/98/191393298.db2.gz IEPMQMWSAREFNH-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1C[C@@H](C)C[C@H]1CC ZINC000413533997 191394143 /nfs/dbraw/zinc/39/41/43/191394143.db2.gz CTRFSXYTBABLRW-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1C[C@H](C)C[C@@H]1CC ZINC000413533998 191393975 /nfs/dbraw/zinc/39/39/75/191393975.db2.gz CTRFSXYTBABLRW-MCIONIFRSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1C[C@H](C)C[C@H]1CC ZINC000413533999 191393875 /nfs/dbraw/zinc/39/38/75/191393875.db2.gz CTRFSXYTBABLRW-MGPQQGTHSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1C[C@@H](C)C[C@@H]1CC ZINC000413534000 191394283 /nfs/dbraw/zinc/39/42/83/191394283.db2.gz CTRFSXYTBABLRW-MJBXVCDLSA-N 0 0 239.403 3.706 20 0 BHADRN F[C@@H]1CCCC[C@H]1Nc1nccc2occc21 ZINC000413534728 191393445 /nfs/dbraw/zinc/39/34/45/191393445.db2.gz RQMLFGMDXJRBNL-GHMZBOCLSA-N 0 0 234.274 3.520 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1C[C@H](C)CC1(C)C ZINC000413561594 191396950 /nfs/dbraw/zinc/39/69/50/191396950.db2.gz NCPAEQHVHREYHW-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1C[C@H](C)CC1(C)C ZINC000413561597 191397458 /nfs/dbraw/zinc/39/74/58/191397458.db2.gz NCPAEQHVHREYHW-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1C[C@@H](C)CC1(C)C ZINC000413561600 191397141 /nfs/dbraw/zinc/39/71/41/191397141.db2.gz NCPAEQHVHREYHW-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1C[C@@H](C)CC1(C)C ZINC000413561602 191396914 /nfs/dbraw/zinc/39/69/14/191396914.db2.gz NCPAEQHVHREYHW-STQMWFEESA-N 0 0 239.403 3.706 20 0 BHADRN CC(=O)c1c(F)cccc1N1CC(C)(C)C[C@@H]1C ZINC000413581041 191395437 /nfs/dbraw/zinc/39/54/37/191395437.db2.gz LQFHHSPBIFNPQS-JTQLQIEISA-N 0 0 249.329 3.653 20 0 BHADRN CC(=O)c1c(F)cccc1N1CC(C)(C)C[C@H]1C ZINC000413581055 191394682 /nfs/dbraw/zinc/39/46/82/191394682.db2.gz LQFHHSPBIFNPQS-SNVBAGLBSA-N 0 0 249.329 3.653 20 0 BHADRN Cc1ccnc(N[C@@H]2C[C@H]2c2ccco2)c1Cl ZINC000413602787 191399255 /nfs/dbraw/zinc/39/92/55/191399255.db2.gz JRKMJGUZVGOBSD-NXEZZACHSA-N 0 0 248.713 3.604 20 0 BHADRN CC(C)c1cnc(N[C@@H]2C[C@H]2c2ccco2)s1 ZINC000413607394 191399514 /nfs/dbraw/zinc/39/95/14/191399514.db2.gz RKVJLDJZFRYGLO-NXEZZACHSA-N 0 0 248.351 3.828 20 0 BHADRN Cc1cscc1NC(=O)C(C)(C)CC(F)F ZINC000413649904 385849416 /nfs/dbraw/zinc/84/94/16/385849416.db2.gz FNVLHBJLJNFBHL-UHFFFAOYSA-N 0 0 247.310 3.676 20 0 BHADRN CC[C@H](CC(C)C)C(=O)Nc1c(C)cccc1O ZINC000413663422 191403559 /nfs/dbraw/zinc/40/35/59/191403559.db2.gz BWLOQNMUASFXPT-GFCCVEGCSA-N 0 0 249.354 3.711 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)Nc1c(C)cccc1O ZINC000413663425 385854596 /nfs/dbraw/zinc/85/45/96/385854596.db2.gz BWLOQNMUASFXPT-LBPRGKRZSA-N 0 0 249.354 3.711 20 0 BHADRN CCCc1ccccc1NC(=O)N[C@H]1CC1(C)C ZINC000413666700 191402979 /nfs/dbraw/zinc/40/29/79/191402979.db2.gz HBYAHENTVKUJDQ-ZDUSSCGKSA-N 0 0 246.354 3.559 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1CC[C@H](C)[C@H]1CC ZINC000413720464 385869008 /nfs/dbraw/zinc/86/90/08/385869008.db2.gz HYVLIKILYNRDGX-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1CC[C@@H](C)[C@@H]1CC ZINC000413720465 191405758 /nfs/dbraw/zinc/40/57/58/191405758.db2.gz HYVLIKILYNRDGX-MCIONIFRSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1CC[C@@H](C)[C@H]1CC ZINC000413720466 385868421 /nfs/dbraw/zinc/86/84/21/385868421.db2.gz HYVLIKILYNRDGX-MGPQQGTHSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1CC[C@H](C)[C@@H]1CC ZINC000413720467 385869716 /nfs/dbraw/zinc/86/97/16/385869716.db2.gz HYVLIKILYNRDGX-MJBXVCDLSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1CCCC12CCC2 ZINC000413775590 385882516 /nfs/dbraw/zinc/88/25/16/385882516.db2.gz ATPNSVKWLZYGSU-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1CCCC12CCC2 ZINC000413775593 191409042 /nfs/dbraw/zinc/40/90/42/191409042.db2.gz ATPNSVKWLZYGSU-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(CC(C)(C)C)C(=O)C(C)(C)CC(F)F ZINC000413824847 385894912 /nfs/dbraw/zinc/89/49/12/385894912.db2.gz OJIWWJJOKJFMKJ-UHFFFAOYSA-N 0 0 249.345 3.562 20 0 BHADRN CCC1(NC(=O)[C@@H](C)CC(F)F)CCCCC1 ZINC000413839457 385904417 /nfs/dbraw/zinc/90/44/17/385904417.db2.gz CVTNVSXNMGUISM-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC1(NC(=O)[C@H](C)CC(F)F)CCCCC1 ZINC000413839459 191414316 /nfs/dbraw/zinc/41/43/16/191414316.db2.gz CVTNVSXNMGUISM-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)NC1(CC)CC1 ZINC000413858877 191413449 /nfs/dbraw/zinc/41/34/49/191413449.db2.gz MHFKNLGEQZIRGD-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)NC1(CC)CC1 ZINC000413858878 385902961 /nfs/dbraw/zinc/90/29/61/385902961.db2.gz MHFKNLGEQZIRGD-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H](NC(=O)C1=C(C)CCC1)c1ccccc1 ZINC000413877910 191414990 /nfs/dbraw/zinc/41/49/90/191414990.db2.gz FGBRCVRBCVKWAC-HNNXBMFYSA-N 0 0 243.350 3.754 20 0 BHADRN CC[C@@H](NC(=O)C1=C(C)CCC1)c1ccccc1 ZINC000413877911 385910145 /nfs/dbraw/zinc/91/01/45/385910145.db2.gz FGBRCVRBCVKWAC-OAHLLOKOSA-N 0 0 243.350 3.754 20 0 BHADRN CC1(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)CCCC1 ZINC000413885923 385912162 /nfs/dbraw/zinc/91/21/62/385912162.db2.gz UDXGRJCOHMRSTD-KBPBESRZSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C(=O)NC[C@H]2CCC[C@H]2C2CC2)CCCC1 ZINC000413885934 191415795 /nfs/dbraw/zinc/41/57/95/191415795.db2.gz UDXGRJCOHMRSTD-KGLIPLIRSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)CCCC1 ZINC000413885936 385911976 /nfs/dbraw/zinc/91/19/76/385911976.db2.gz UDXGRJCOHMRSTD-UONOGXRCSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)CCCC1 ZINC000413885938 385912012 /nfs/dbraw/zinc/91/20/12/385912012.db2.gz UDXGRJCOHMRSTD-ZIAGYGMSSA-N 0 0 249.398 3.509 20 0 BHADRN CSc1cc(C)ccc1NC(=O)[C@@H]1CC1(C)C ZINC000413890073 385912528 /nfs/dbraw/zinc/91/25/28/385912528.db2.gz ASSSKVLOBLFLIO-JTQLQIEISA-N 0 0 249.379 3.702 20 0 BHADRN CSc1cc(C)ccc1NC(=O)[C@H]1CC1(C)C ZINC000413890076 385912778 /nfs/dbraw/zinc/91/27/78/385912778.db2.gz ASSSKVLOBLFLIO-SNVBAGLBSA-N 0 0 249.379 3.702 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)Nc1ccc(C)cc1SC ZINC000413890689 385906017 /nfs/dbraw/zinc/90/60/17/385906017.db2.gz BJILLKPZSLCZIF-GHMZBOCLSA-N 0 0 249.379 3.702 20 0 BHADRN CSc1cc(C)ccc1NC(=O)CC(C)C ZINC000413891898 191415476 /nfs/dbraw/zinc/41/54/76/191415476.db2.gz HLSACXZNGKFRHQ-UHFFFAOYSA-N 0 0 237.368 3.702 20 0 BHADRN CSc1cc(C)ccc1NC(=O)C1CCCC1 ZINC000413892058 385906173 /nfs/dbraw/zinc/90/61/73/385906173.db2.gz IEUIYGXSBBJFER-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN CCCCC(=O)Nc1ccc(C)cc1SC ZINC000413892374 191415124 /nfs/dbraw/zinc/41/51/24/191415124.db2.gz JFLGEDYQKIEUJS-UHFFFAOYSA-N 0 0 237.368 3.846 20 0 BHADRN CSc1cc(C)ccc1NC(=O)CC1CCC1 ZINC000413892548 385906042 /nfs/dbraw/zinc/90/60/42/385906042.db2.gz FWWJXPUBHHPLJP-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN CSc1cc(C)ccc1NC(=O)C1CC=CC1 ZINC000413892711 385906102 /nfs/dbraw/zinc/90/61/02/385906102.db2.gz GFYIAJHFRUVDEG-UHFFFAOYSA-N 0 0 247.363 3.622 20 0 BHADRN CSc1cc(C)ccc1NC(=O)CCC1CC1 ZINC000413893637 385907359 /nfs/dbraw/zinc/90/73/59/385907359.db2.gz MAUBYEUJQFCDED-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(C)cc1SC ZINC000413897341 385907588 /nfs/dbraw/zinc/90/75/88/385907588.db2.gz UMARUDZMNGIHBP-JTQLQIEISA-N 0 0 237.368 3.702 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(C)cc1SC ZINC000413897343 191415526 /nfs/dbraw/zinc/41/55/26/191415526.db2.gz UMARUDZMNGIHBP-SNVBAGLBSA-N 0 0 237.368 3.702 20 0 BHADRN CSc1cc(C)ccc1NC(=O)[C@@H](C)C1CC1 ZINC000413903767 191416343 /nfs/dbraw/zinc/41/63/43/191416343.db2.gz NETLTDGVYYKAQZ-JTQLQIEISA-N 0 0 249.379 3.702 20 0 BHADRN CSc1cc(C)ccc1NC(=O)[C@H](C)C1CC1 ZINC000413903768 191416078 /nfs/dbraw/zinc/41/60/78/191416078.db2.gz NETLTDGVYYKAQZ-SNVBAGLBSA-N 0 0 249.379 3.702 20 0 BHADRN CSc1cc(C)ccc1NC(=O)CC1(C)CC1 ZINC000413904762 385913810 /nfs/dbraw/zinc/91/38/10/385913810.db2.gz OKTQPFJYGPWUDZ-UHFFFAOYSA-N 0 0 249.379 3.846 20 0 BHADRN CSc1cc(C)ccc1NC(=O)C1=CCCC1 ZINC000413905535 385914358 /nfs/dbraw/zinc/91/43/58/385914358.db2.gz PNQDUPTXSUJSCX-UHFFFAOYSA-N 0 0 247.363 3.766 20 0 BHADRN CSc1cc(C)ccc1NC(=O)C[C@H]1C[C@H]1C ZINC000413913899 385914802 /nfs/dbraw/zinc/91/48/02/385914802.db2.gz XPYOIYHTXULDQS-GHMZBOCLSA-N 0 0 249.379 3.702 20 0 BHADRN CSc1cc(C)ccc1NC(=O)C[C@@H]1C[C@H]1C ZINC000413913902 385914012 /nfs/dbraw/zinc/91/40/12/385914012.db2.gz XPYOIYHTXULDQS-MNOVXSKESA-N 0 0 249.379 3.702 20 0 BHADRN CSc1cc(C)ccc1NC(=O)C[C@@H]1C[C@@H]1C ZINC000413913904 385914294 /nfs/dbraw/zinc/91/42/94/385914294.db2.gz XPYOIYHTXULDQS-QWRGUYRKSA-N 0 0 249.379 3.702 20 0 BHADRN CSc1cc(C)ccc1NC(=O)C[C@H]1C[C@@H]1C ZINC000413913907 385914848 /nfs/dbraw/zinc/91/48/48/385914848.db2.gz XPYOIYHTXULDQS-WDEREUQCSA-N 0 0 249.379 3.702 20 0 BHADRN CCCC(=O)Nc1ccc(Cl)c(SC)c1 ZINC000413940463 385920659 /nfs/dbraw/zinc/92/06/59/385920659.db2.gz AURYVOPPHNKCTB-UHFFFAOYSA-N 0 0 243.759 3.801 20 0 BHADRN CSc1cc(NC(=O)C(C)C)ccc1Cl ZINC000413942446 385919669 /nfs/dbraw/zinc/91/96/69/385919669.db2.gz GPPDHIACDCYGSI-UHFFFAOYSA-N 0 0 243.759 3.656 20 0 BHADRN CCCC[C@@H](CC)C(=O)N[C@@H]1CCCC[C@H]1F ZINC000413957232 385920362 /nfs/dbraw/zinc/92/03/62/385920362.db2.gz PEJJEGNEYIQCNI-JHJVBQTASA-N 0 0 243.366 3.600 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@@H]1CCCC[C@H]1F ZINC000413957233 191418109 /nfs/dbraw/zinc/41/81/09/191418109.db2.gz PEJJEGNEYIQCNI-YNEHKIRRSA-N 0 0 243.366 3.600 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1CC(C)(C)C[C@H]1C ZINC000413970989 385918080 /nfs/dbraw/zinc/91/80/80/385918080.db2.gz HRDIXCIDGNQBSH-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](CC)C(=O)N1CC(C)(C)C[C@H]1C ZINC000413970991 385918707 /nfs/dbraw/zinc/91/87/07/385918707.db2.gz HRDIXCIDGNQBSH-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000413970993 385918254 /nfs/dbraw/zinc/91/82/54/385918254.db2.gz HRDIXCIDGNQBSH-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](CC)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000413970994 385918903 /nfs/dbraw/zinc/91/89/03/385918903.db2.gz HRDIXCIDGNQBSH-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CC(C)(C)C[C@H]1C ZINC000413972047 191417111 /nfs/dbraw/zinc/41/71/11/191417111.db2.gz JGDYKLZDHVVRIL-CYBMUJFWSA-N 0 0 245.366 3.564 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CC(C)(C)C[C@@H]1C ZINC000413972048 191417584 /nfs/dbraw/zinc/41/75/84/191417584.db2.gz JGDYKLZDHVVRIL-ZDUSSCGKSA-N 0 0 245.366 3.564 20 0 BHADRN CCN(Cc1occc1C)C(=O)C1(C)CCCC1 ZINC000413972815 385918053 /nfs/dbraw/zinc/91/80/53/385918053.db2.gz BNRZWWYLJXTWKV-UHFFFAOYSA-N 0 0 249.354 3.517 20 0 BHADRN CCC1(C(=O)N2CC(C)(C)C[C@H]2C)CCCC1 ZINC000413977899 191419928 /nfs/dbraw/zinc/41/99/28/191419928.db2.gz VHSDXIIYJQRPPT-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C(=O)N2CC(C)(C)C[C@@H]2C)CCCC1 ZINC000413977900 191420606 /nfs/dbraw/zinc/42/06/06/191420606.db2.gz VHSDXIIYJQRPPT-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)C1=C(C)CCC1)C1CC(C)(C)C1 ZINC000413981239 191420011 /nfs/dbraw/zinc/42/00/11/191420011.db2.gz ADEMJYNCCWVKIF-UHFFFAOYSA-N 0 0 235.371 3.524 20 0 BHADRN CCN(C(=O)c1c(C)coc1C)C1CC(C)(C)C1 ZINC000413992196 385931544 /nfs/dbraw/zinc/93/15/44/385931544.db2.gz XJVUMKRLAHYOHW-UHFFFAOYSA-N 0 0 249.354 3.547 20 0 BHADRN CCC(C)(C)C(=O)Nc1ccc(F)c(F)c1C ZINC000414046290 385930149 /nfs/dbraw/zinc/93/01/49/385930149.db2.gz AHDLUHGOQCEWPS-UHFFFAOYSA-N 0 0 241.281 3.648 20 0 BHADRN C/C(=C/c1ccc(C2CC2)cc1)c1cnccn1 ZINC000414086643 385954263 /nfs/dbraw/zinc/95/42/63/385954263.db2.gz ZPMMZKFXQMSPPY-BENRWUELSA-N 0 0 236.318 3.915 20 0 BHADRN C/C(=C\c1ccc(C2CC2)cc1)c1cnccn1 ZINC000414086644 385955624 /nfs/dbraw/zinc/95/56/24/385955624.db2.gz ZPMMZKFXQMSPPY-ZRDIBKRKSA-N 0 0 236.318 3.915 20 0 BHADRN Cc1ccc(F)c([C@H](C)[C@H](C)c2ccn(C)n2)c1 ZINC000414090502 385957559 /nfs/dbraw/zinc/95/75/59/385957559.db2.gz KKIVEMYLWMCZQF-NEPJUHHUSA-N 0 0 246.329 3.775 20 0 BHADRN Cc1ccc(F)c([C@@H](C)[C@@H](C)c2ccn(C)n2)c1 ZINC000414090505 385957325 /nfs/dbraw/zinc/95/73/25/385957325.db2.gz KKIVEMYLWMCZQF-NWDGAFQWSA-N 0 0 246.329 3.775 20 0 BHADRN Cc1ccc(F)c([C@@H](C)[C@H](C)c2ccn(C)n2)c1 ZINC000414090509 385956958 /nfs/dbraw/zinc/95/69/58/385956958.db2.gz KKIVEMYLWMCZQF-RYUDHWBXSA-N 0 0 246.329 3.775 20 0 BHADRN Cc1ccc(F)c([C@H](C)[C@@H](C)c2ccn(C)n2)c1 ZINC000414090514 385957749 /nfs/dbraw/zinc/95/77/49/385957749.db2.gz KKIVEMYLWMCZQF-VXGBXAGGSA-N 0 0 246.329 3.775 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H](C)c1ccn(C)n1 ZINC000414093718 385959275 /nfs/dbraw/zinc/95/92/75/385959275.db2.gz HLSMTFKVPKAXHE-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H](C)c1ccn(C)n1 ZINC000414093729 385960379 /nfs/dbraw/zinc/96/03/79/385960379.db2.gz HLSMTFKVPKAXHE-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CCOCc1cccc(N[C@H](C)[C@H]2C[C@H]2C)c1 ZINC000414094309 191430346 /nfs/dbraw/zinc/43/03/46/191430346.db2.gz IIHIFAPSZFJIFG-JMSVASOKSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1cccc(N[C@H](C)[C@@H]2C[C@H]2C)c1 ZINC000414094311 385960540 /nfs/dbraw/zinc/96/05/40/385960540.db2.gz IIHIFAPSZFJIFG-LALPHHSUSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1cccc(N[C@H](C)[C@@H]2C[C@@H]2C)c1 ZINC000414094313 385959683 /nfs/dbraw/zinc/95/96/83/385959683.db2.gz IIHIFAPSZFJIFG-YWPYICTPSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1cccc(N[C@H](C)[C@H]2C[C@@H]2C)c1 ZINC000414094315 385959837 /nfs/dbraw/zinc/95/98/37/385959837.db2.gz IIHIFAPSZFJIFG-ZOWXZIJZSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1ccc(N[C@H](C)[C@H]2C[C@H]2C)cc1 ZINC000414098966 191431700 /nfs/dbraw/zinc/43/17/00/191431700.db2.gz PZNMMLBAISZZNX-JMSVASOKSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)cc1 ZINC000414098967 191431954 /nfs/dbraw/zinc/43/19/54/191431954.db2.gz PZNMMLBAISZZNX-LALPHHSUSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)cc1 ZINC000414098968 385962603 /nfs/dbraw/zinc/96/26/03/385962603.db2.gz PZNMMLBAISZZNX-YWPYICTPSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)cc1 ZINC000414099195 385963086 /nfs/dbraw/zinc/96/30/86/385963086.db2.gz PZNMMLBAISZZNX-ZOWXZIJZSA-N 0 0 233.355 3.680 20 0 BHADRN Cc1ccc(Cl)cc1N[C@@H](C)c1ccn(C)n1 ZINC000414102526 385964868 /nfs/dbraw/zinc/96/48/68/385964868.db2.gz MVHVDHHVFSNMJC-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(Cl)cc1N[C@H](C)c1ccn(C)n1 ZINC000414102527 385964731 /nfs/dbraw/zinc/96/47/31/385964731.db2.gz MVHVDHHVFSNMJC-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)c1ccn(C)n1 ZINC000414105705 385966423 /nfs/dbraw/zinc/96/64/23/385966423.db2.gz HJSIFWIKURSJSL-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)c1ccn(C)n1 ZINC000414105706 385967375 /nfs/dbraw/zinc/96/73/75/385967375.db2.gz HJSIFWIKURSJSL-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H](C)[C@H]2C[C@H]2C)c1 ZINC000414105969 385967417 /nfs/dbraw/zinc/96/74/17/385967417.db2.gz HVOQLTDZISBHMW-BLTAXRJOSA-N 0 0 233.355 3.850 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H](C)[C@@H]2C[C@@H]2C)c1 ZINC000414105970 385966889 /nfs/dbraw/zinc/96/68/89/385966889.db2.gz HVOQLTDZISBHMW-FUTJPDQTSA-N 0 0 233.355 3.850 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H](C)[C@@H]2C[C@H]2C)c1 ZINC000414105971 385967952 /nfs/dbraw/zinc/96/79/52/385967952.db2.gz HVOQLTDZISBHMW-RTWAVKEYSA-N 0 0 233.355 3.850 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H](C)[C@H]2C[C@@H]2C)c1 ZINC000414105972 385967762 /nfs/dbraw/zinc/96/77/62/385967762.db2.gz HVOQLTDZISBHMW-YFCNSXCBSA-N 0 0 233.355 3.850 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2ccn(C)n2)cc1 ZINC000414106978 385967218 /nfs/dbraw/zinc/96/72/18/385967218.db2.gz RKSNTSRNZMEKEX-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2ccn(C)n2)cc1 ZINC000414106979 385967959 /nfs/dbraw/zinc/96/79/59/385967959.db2.gz RKSNTSRNZMEKEX-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1cccc(N[C@H](C)c2ccn(C)n2)c1 ZINC000414109183 385969356 /nfs/dbraw/zinc/96/93/56/385969356.db2.gz USBUVMWONNFOML-GFCCVEGCSA-N 0 0 243.354 3.717 20 0 BHADRN CC(C)c1cccc(N[C@@H](C)c2ccn(C)n2)c1 ZINC000414109185 191434882 /nfs/dbraw/zinc/43/48/82/191434882.db2.gz USBUVMWONNFOML-LBPRGKRZSA-N 0 0 243.354 3.717 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)c2ccn(C)n2)c1 ZINC000414114618 386009384 /nfs/dbraw/zinc/00/93/84/386009384.db2.gz TXVWADDPSFHEIL-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)c2ccn(C)n2)c1 ZINC000414114619 386009459 /nfs/dbraw/zinc/00/94/59/386009459.db2.gz TXVWADDPSFHEIL-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccn(C)n2)cc1Cl ZINC000414114708 191448246 /nfs/dbraw/zinc/44/82/46/191448246.db2.gz ZSVFEUUBEFPKFO-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccn(C)n2)cc1Cl ZINC000414114711 386009271 /nfs/dbraw/zinc/00/92/71/386009271.db2.gz ZSVFEUUBEFPKFO-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccn(C)n2)c(Cl)c1 ZINC000414115181 386008217 /nfs/dbraw/zinc/00/82/17/386008217.db2.gz UUDLAJOVRSDCOR-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccn(C)n2)c(Cl)c1 ZINC000414115182 191448720 /nfs/dbraw/zinc/44/87/20/191448720.db2.gz UUDLAJOVRSDCOR-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CCn1ncc2ccc(N[C@H](C)[C@H]3C[C@H]3C)cc21 ZINC000414116682 386011055 /nfs/dbraw/zinc/01/10/55/386011055.db2.gz XGWBQUWLQLWFEW-GYSYKLTISA-N 0 0 243.354 3.513 20 0 BHADRN CCn1ncc2ccc(N[C@H](C)[C@@H]3C[C@H]3C)cc21 ZINC000414116683 386010722 /nfs/dbraw/zinc/01/07/22/386010722.db2.gz XGWBQUWLQLWFEW-JTNHKYCSSA-N 0 0 243.354 3.513 20 0 BHADRN CCn1ncc2ccc(N[C@H](C)[C@@H]3C[C@@H]3C)cc21 ZINC000414116684 386011899 /nfs/dbraw/zinc/01/18/99/386011899.db2.gz XGWBQUWLQLWFEW-MISXGVKJSA-N 0 0 243.354 3.513 20 0 BHADRN CCn1ncc2ccc(N[C@H](C)[C@H]3C[C@@H]3C)cc21 ZINC000414116685 386010414 /nfs/dbraw/zinc/01/04/14/386010414.db2.gz XGWBQUWLQLWFEW-WDMOLILDSA-N 0 0 243.354 3.513 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H](C)[C@H]2C[C@@H]2C)c1C ZINC000414124049 385973107 /nfs/dbraw/zinc/97/31/07/385973107.db2.gz BRWQDTFMKOFECV-KQXIARHKSA-N 0 0 235.375 3.619 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H](C)[C@@H]2C[C@H]2C)c1C ZINC000414124050 385972123 /nfs/dbraw/zinc/97/21/23/385972123.db2.gz BRWQDTFMKOFECV-LSCVPOLPSA-N 0 0 235.375 3.619 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H](C)[C@@H]2C[C@@H]2C)c1C ZINC000414124052 385972816 /nfs/dbraw/zinc/97/28/16/385972816.db2.gz BRWQDTFMKOFECV-MEWQQHAOSA-N 0 0 235.375 3.619 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H](C)[C@H]2C[C@H]2C)c1C ZINC000414124054 191434939 /nfs/dbraw/zinc/43/49/39/191434939.db2.gz BRWQDTFMKOFECV-XZUYRWCXSA-N 0 0 235.375 3.619 20 0 BHADRN CC[C@H](Nc1cnn([C@H](C)C2CC2)c1)[C@@H]1C[C@@H]1C ZINC000414126179 385975481 /nfs/dbraw/zinc/97/54/81/385975481.db2.gz DPEUTFAVIFQXRU-DRABBMOASA-N 0 0 247.386 3.701 20 0 BHADRN CC[C@H](Nc1cnn([C@H](C)C2CC2)c1)[C@H]1C[C@H]1C ZINC000414126181 191435588 /nfs/dbraw/zinc/43/55/88/191435588.db2.gz DPEUTFAVIFQXRU-FIXIBIHLSA-N 0 0 247.386 3.701 20 0 BHADRN CC[C@H](Nc1cnn([C@H](C)C2CC2)c1)[C@@H]1C[C@H]1C ZINC000414126182 385973963 /nfs/dbraw/zinc/97/39/63/385973963.db2.gz DPEUTFAVIFQXRU-FKGLVLAHSA-N 0 0 247.386 3.701 20 0 BHADRN CC[C@H](Nc1cnn([C@H](C)C2CC2)c1)[C@H]1C[C@@H]1C ZINC000414126184 385974881 /nfs/dbraw/zinc/97/48/81/385974881.db2.gz DPEUTFAVIFQXRU-JLUCKKNBSA-N 0 0 247.386 3.701 20 0 BHADRN CC[C@H](N[C@@H](C(C)C)C(F)(F)F)[C@H]1C[C@@H]1C ZINC000414130201 398218031 /nfs/dbraw/zinc/21/80/31/398218031.db2.gz JEUWQEYSUAFMLE-NAKRPEOUSA-N 0 0 237.309 3.598 20 0 BHADRN CC[C@H](N[C@@H](C(C)C)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414130206 398218200 /nfs/dbraw/zinc/21/82/00/398218200.db2.gz JEUWQEYSUAFMLE-RCWTZXSCSA-N 0 0 237.309 3.598 20 0 BHADRN CC[C@H](N[C@@H](C(C)C)C(F)(F)F)[C@@H]1C[C@@H]1C ZINC000414130208 398218094 /nfs/dbraw/zinc/21/80/94/398218094.db2.gz JEUWQEYSUAFMLE-VLEAKVRGSA-N 0 0 237.309 3.598 20 0 BHADRN CC[C@H](N[C@@H](C(C)C)C(F)(F)F)[C@@H]1C[C@H]1C ZINC000414130210 385976915 /nfs/dbraw/zinc/97/69/15/385976915.db2.gz JEUWQEYSUAFMLE-ZNSHCXBVSA-N 0 0 237.309 3.598 20 0 BHADRN C[C@H](Nc1ccc([C@H]2CCOC2)cc1)[C@H]1C[C@H]1C ZINC000414134830 385981716 /nfs/dbraw/zinc/98/17/16/385981716.db2.gz HNABITFWUUGCSK-DSPQJCBJSA-N 0 0 245.366 3.647 20 0 BHADRN C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)[C@H]1C[C@H]1C ZINC000414134833 385984437 /nfs/dbraw/zinc/98/44/37/385984437.db2.gz HNABITFWUUGCSK-FIRUKDTASA-N 0 0 245.366 3.647 20 0 BHADRN C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)[C@H]1C[C@H]1C ZINC000414134836 385982997 /nfs/dbraw/zinc/98/29/97/385982997.db2.gz HNABITFWUUGCSK-HLSYRSCKSA-N 0 0 245.366 3.647 20 0 BHADRN C[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)[C@H]1C[C@H]1C ZINC000414134838 385985449 /nfs/dbraw/zinc/98/54/49/385985449.db2.gz HNABITFWUUGCSK-NCZKRNLISA-N 0 0 245.366 3.647 20 0 BHADRN C/C=C/c1ccc(N[C@@H](C)c2ccn(C)n2)cc1 ZINC000414141970 385990217 /nfs/dbraw/zinc/99/02/17/385990217.db2.gz ITXLJPQSUUHLLL-ITKZLYELSA-N 0 0 241.338 3.626 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)c2ccn(C)n2)cc1 ZINC000414141972 385990345 /nfs/dbraw/zinc/99/03/45/385990345.db2.gz ITXLJPQSUUHLLL-QMAVJUDZSA-N 0 0 241.338 3.626 20 0 BHADRN C/C=C\c1ccc(N[C@@H](C)c2ccn(C)n2)cc1 ZINC000414141973 385990539 /nfs/dbraw/zinc/99/05/39/385990539.db2.gz ITXLJPQSUUHLLL-RXNFCKPNSA-N 0 0 241.338 3.626 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)c2ccn(C)n2)cc1 ZINC000414141975 385989350 /nfs/dbraw/zinc/98/93/50/385989350.db2.gz ITXLJPQSUUHLLL-ZYOFXKKJSA-N 0 0 241.338 3.626 20 0 BHADRN CCCn1ncc(N[C@H](C)[C@@H]2C[C@@H]2C)c1C1CC1 ZINC000414142669 385989683 /nfs/dbraw/zinc/98/96/83/385989683.db2.gz 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CCC(CC)(CC)[S@](=O)CCC(C)(F)F ZINC000414234444 191474124 /nfs/dbraw/zinc/47/41/24/191474124.db2.gz CKKJZRXTTHLCOL-OAHLLOKOSA-N 0 0 240.359 3.749 20 0 BHADRN Cc1ccc([S@@](=O)CCC2=CCCCC2)cc1 ZINC000414234890 386050649 /nfs/dbraw/zinc/05/06/49/386050649.db2.gz SWLQDOHPUFSDHI-KRWDZBQOSA-N 0 0 248.391 3.993 20 0 BHADRN Cc1ccc([S@](=O)CCC2=CCCCC2)cc1 ZINC000414234891 191465695 /nfs/dbraw/zinc/46/56/95/191465695.db2.gz SWLQDOHPUFSDHI-QGZVFWFLSA-N 0 0 248.391 3.993 20 0 BHADRN O=[S@@](CCC1=CCCCC1)c1ccccc1 ZINC000414235650 386049742 /nfs/dbraw/zinc/04/97/42/386049742.db2.gz UKSFJOGVOBUWBN-INIZCTEOSA-N 0 0 234.364 3.685 20 0 BHADRN O=[S@](CCC1=CCCCC1)c1ccccc1 ZINC000414235651 191465146 /nfs/dbraw/zinc/46/51/46/191465146.db2.gz UKSFJOGVOBUWBN-MRXNPFEDSA-N 0 0 234.364 3.685 20 0 BHADRN CC[C@@H](C)C[S@@](=O)CCC1=CCCCC1 ZINC000414237460 386051884 /nfs/dbraw/zinc/05/18/84/386051884.db2.gz BDPDUSAMOUAMFO-DOMZBBRYSA-N 0 0 228.401 3.672 20 0 BHADRN CC[C@@H](C)C[S@](=O)CCC1=CCCCC1 ZINC000414237461 191465656 /nfs/dbraw/zinc/46/56/56/191465656.db2.gz BDPDUSAMOUAMFO-IUODEOHRSA-N 0 0 228.401 3.672 20 0 BHADRN CC[C@H](C)C[S@](=O)CCC1=CCCCC1 ZINC000414237462 191465669 /nfs/dbraw/zinc/46/56/69/191465669.db2.gz BDPDUSAMOUAMFO-SWLSCSKDSA-N 0 0 228.401 3.672 20 0 BHADRN CC[C@H](C)C[S@@](=O)CCC1=CCCCC1 ZINC000414237463 386053663 /nfs/dbraw/zinc/05/36/63/386053663.db2.gz BDPDUSAMOUAMFO-WFASDCNBSA-N 0 0 228.401 3.672 20 0 BHADRN CCCCC[S@](=O)CCC1=CCCCC1 ZINC000414237909 386052291 /nfs/dbraw/zinc/05/22/91/386052291.db2.gz BNBPMLXIMQLUDX-HNNXBMFYSA-N 0 0 228.401 3.816 20 0 BHADRN CCCCC[S@@](=O)CCC1=CCCCC1 ZINC000414237910 386052168 /nfs/dbraw/zinc/05/21/68/386052168.db2.gz BNBPMLXIMQLUDX-OAHLLOKOSA-N 0 0 228.401 3.816 20 0 BHADRN CCC(CC)[S@@](=O)CCC1=CCCCC1 ZINC000414239669 386052047 /nfs/dbraw/zinc/05/20/47/386052047.db2.gz LFYCIIBKRNIIED-HNNXBMFYSA-N 0 0 228.401 3.814 20 0 BHADRN CCC(CC)[S@](=O)CCC1=CCCCC1 ZINC000414239670 386051925 /nfs/dbraw/zinc/05/19/25/386051925.db2.gz 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O=[S@@](CCC1=CCCCC1)c1cccs1 ZINC000414246572 386057528 /nfs/dbraw/zinc/05/75/28/386057528.db2.gz NJXZEMJMKQNZOY-HNNXBMFYSA-N 0 0 240.393 3.746 20 0 BHADRN O=[S@](CCC1=CCCCC1)c1cccs1 ZINC000414246580 386056970 /nfs/dbraw/zinc/05/69/70/386056970.db2.gz NJXZEMJMKQNZOY-OAHLLOKOSA-N 0 0 240.393 3.746 20 0 BHADRN CC[C@@H](c1ccc(F)cc1)[S@@](=O)C1CCC1 ZINC000414247773 386057147 /nfs/dbraw/zinc/05/71/47/386057147.db2.gz DVOQMJUCYVFLAD-BBRMVZONSA-N 0 0 240.343 3.578 20 0 BHADRN CC[C@H](c1ccc(F)cc1)[S@@](=O)C1CCC1 ZINC000414247774 191466855 /nfs/dbraw/zinc/46/68/55/191466855.db2.gz DVOQMJUCYVFLAD-CJNGLKHVSA-N 0 0 240.343 3.578 20 0 BHADRN CC[C@H](c1ccc(F)cc1)[S@](=O)C1CCC1 ZINC000414247775 386057638 /nfs/dbraw/zinc/05/76/38/386057638.db2.gz DVOQMJUCYVFLAD-CZUORRHYSA-N 0 0 240.343 3.578 20 0 BHADRN CC[C@@H](c1ccc(F)cc1)[S@](=O)C1CCC1 ZINC000414247776 191467138 /nfs/dbraw/zinc/46/71/38/191467138.db2.gz DVOQMJUCYVFLAD-XJKSGUPXSA-N 0 0 240.343 3.578 20 0 BHADRN CC(C)(C)C[S@@](=O)CCC1=CCCCC1 ZINC000414248410 386056928 /nfs/dbraw/zinc/05/69/28/386056928.db2.gz VDOOOESGJCVFNL-HNNXBMFYSA-N 0 0 228.401 3.672 20 0 BHADRN CC(C)(C)C[S@](=O)CCC1=CCCCC1 ZINC000414248412 386057185 /nfs/dbraw/zinc/05/71/85/386057185.db2.gz VDOOOESGJCVFNL-OAHLLOKOSA-N 0 0 228.401 3.672 20 0 BHADRN CCCC[S@](=O)CCCC1CCCC1 ZINC000414249305 386057090 /nfs/dbraw/zinc/05/70/90/386057090.db2.gz ALRKDOUDWDJWDJ-AWEZNQCLSA-N 0 0 216.390 3.506 20 0 BHADRN CCCC[S@@](=O)CCCC1CCCC1 ZINC000414249306 386056844 /nfs/dbraw/zinc/05/68/44/386056844.db2.gz ALRKDOUDWDJWDJ-CQSZACIVSA-N 0 0 216.390 3.506 20 0 BHADRN CC[C@@H](c1ccccc1)[S@@](=O)CC(C)(C)C ZINC000414251322 191467117 /nfs/dbraw/zinc/46/71/17/191467117.db2.gz BWMWYRSJVBXSRZ-BBRMVZONSA-N 0 0 238.396 3.933 20 0 BHADRN CC[C@H](c1ccccc1)[S@@](=O)CC(C)(C)C ZINC000414251325 386057098 /nfs/dbraw/zinc/05/70/98/386057098.db2.gz BWMWYRSJVBXSRZ-CJNGLKHVSA-N 0 0 238.396 3.933 20 0 BHADRN CC[C@H](c1ccccc1)[S@](=O)CC(C)(C)C ZINC000414251326 386056974 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3.660 20 0 BHADRN Cc1cc(C[S@@](=O)CC(C)(C)C)c(C)s1 ZINC000414257971 386082550 /nfs/dbraw/zinc/08/25/50/386082550.db2.gz HBPHWXKIVWHFHH-OAHLLOKOSA-N 0 0 244.425 3.660 20 0 BHADRN C[C@H]1CC(CC[S@](=O)C2CCC2)C[C@H](C)C1 ZINC000414258401 386082333 /nfs/dbraw/zinc/08/23/33/386082333.db2.gz LYARIAWYIAMJGP-HSMVNMDESA-N 0 0 242.428 3.750 20 0 BHADRN C[C@H]1C[C@H](CC[S@@](=O)C2CCC2)C[C@@H](C)C1 ZINC000414258404 386082290 /nfs/dbraw/zinc/08/22/90/386082290.db2.gz LYARIAWYIAMJGP-LMOYCYGVSA-N 0 0 242.428 3.750 20 0 BHADRN C[C@H]1C[C@H](CC[S@](=O)C2CCC2)C[C@@H](C)C1 ZINC000414258405 191475784 /nfs/dbraw/zinc/47/57/84/191475784.db2.gz LYARIAWYIAMJGP-VLXAULBPSA-N 0 0 242.428 3.750 20 0 BHADRN C[C@H]1CC(CC[S@@](=O)C2CCC2)C[C@H](C)C1 ZINC000414258408 386081936 /nfs/dbraw/zinc/08/19/36/386081936.db2.gz LYARIAWYIAMJGP-XHBSWPGZSA-N 0 0 242.428 3.750 20 0 BHADRN O=[S@@](Cc1ccc(C2CCC2)cc1)C1CCC1 ZINC000414262736 191476541 /nfs/dbraw/zinc/47/65/41/191476541.db2.gz OKSVDNPEOCKRGC-KRWDZBQOSA-N 0 0 248.391 3.755 20 0 BHADRN O=[S@](Cc1ccc(C2CCC2)cc1)C1CCC1 ZINC000414262739 386084478 /nfs/dbraw/zinc/08/44/78/386084478.db2.gz OKSVDNPEOCKRGC-QGZVFWFLSA-N 0 0 248.391 3.755 20 0 BHADRN Cc1cccc([C@H](C)[S@](=O)CC(C)(C)C)c1 ZINC000414262753 191476090 /nfs/dbraw/zinc/47/60/90/191476090.db2.gz JVZDLAAHCKIVFK-BLLLJJGKSA-N 0 0 238.396 3.851 20 0 BHADRN Cc1cccc([C@H](C)[S@@](=O)CC(C)(C)C)c1 ZINC000414262756 386085161 /nfs/dbraw/zinc/08/51/61/386085161.db2.gz JVZDLAAHCKIVFK-LRDDRELGSA-N 0 0 238.396 3.851 20 0 BHADRN Cc1cccc([C@@H](C)[S@](=O)CC(C)(C)C)c1 ZINC000414262758 191476130 /nfs/dbraw/zinc/47/61/30/191476130.db2.gz JVZDLAAHCKIVFK-MLGOLLRUSA-N 0 0 238.396 3.851 20 0 BHADRN Cc1cccc([C@@H](C)[S@@](=O)CC(C)(C)C)c1 ZINC000414262761 386084608 /nfs/dbraw/zinc/08/46/08/386084608.db2.gz JVZDLAAHCKIVFK-WBMJQRKESA-N 0 0 238.396 3.851 20 0 BHADRN O=[S@@](CC1CC1)c1ccc(Cl)cc1Cl ZINC000414262859 191476486 /nfs/dbraw/zinc/47/64/86/191476486.db2.gz IWCUAKAIODEEKG-AWEZNQCLSA-N 0 0 249.162 3.511 20 0 BHADRN O=[S@](CC1CC1)c1ccc(Cl)cc1Cl ZINC000414262871 386085261 /nfs/dbraw/zinc/08/52/61/386085261.db2.gz IWCUAKAIODEEKG-CQSZACIVSA-N 0 0 249.162 3.511 20 0 BHADRN CCC(C)(C)CC[S@](=O)CC(C)(C)C ZINC000414264971 191476686 /nfs/dbraw/zinc/47/66/86/191476686.db2.gz KZSLEVFVUOXRNF-AWEZNQCLSA-N 0 0 218.406 3.608 20 0 BHADRN CCC(C)(C)CC[S@@](=O)CC(C)(C)C ZINC000414264972 386085442 /nfs/dbraw/zinc/08/54/42/386085442.db2.gz KZSLEVFVUOXRNF-CQSZACIVSA-N 0 0 218.406 3.608 20 0 BHADRN Cc1ccc(C)c(C[S@](=O)CC(C)(C)C)c1 ZINC000414265890 191478148 /nfs/dbraw/zinc/47/81/48/191478148.db2.gz LWRAZHXOGZTZDP-INIZCTEOSA-N 0 0 238.396 3.598 20 0 BHADRN Cc1ccc(C)c(C[S@@](=O)CC(C)(C)C)c1 ZINC000414265893 191477886 /nfs/dbraw/zinc/47/78/86/191477886.db2.gz LWRAZHXOGZTZDP-MRXNPFEDSA-N 0 0 238.396 3.598 20 0 BHADRN CCCC(CCC)[S@@](=O)CCC(C)(F)F ZINC000414266382 386087657 /nfs/dbraw/zinc/08/76/57/386087657.db2.gz VUMSYXMWARMLHE-HNNXBMFYSA-N 0 0 240.359 3.749 20 0 BHADRN CCCC(CCC)[S@](=O)CCC(C)(F)F ZINC000414266384 386087429 /nfs/dbraw/zinc/08/74/29/386087429.db2.gz VUMSYXMWARMLHE-OAHLLOKOSA-N 0 0 240.359 3.749 20 0 BHADRN CC(C)(C)C[S@@](=O)Cc1ccc(Cl)cc1 ZINC000414266788 191477382 /nfs/dbraw/zinc/47/73/82/191477382.db2.gz MHGJSKIYKZTUSS-HNNXBMFYSA-N 0 0 244.787 3.635 20 0 BHADRN CC(C)(C)C[S@](=O)Cc1ccc(Cl)cc1 ZINC000414266790 386087332 /nfs/dbraw/zinc/08/73/32/386087332.db2.gz MHGJSKIYKZTUSS-OAHLLOKOSA-N 0 0 244.787 3.635 20 0 BHADRN CC(C)CC[S@](=O)CCC1=CCCCC1 ZINC000414267712 191477875 /nfs/dbraw/zinc/47/78/75/191477875.db2.gz WQWFGBAGNVCERR-HNNXBMFYSA-N 0 0 228.401 3.672 20 0 BHADRN CC(C)CC[S@@](=O)CCC1=CCCCC1 ZINC000414267713 386087221 /nfs/dbraw/zinc/08/72/21/386087221.db2.gz WQWFGBAGNVCERR-OAHLLOKOSA-N 0 0 228.401 3.672 20 0 BHADRN CC(C)(C)C[S@@](=O)Cc1ccccc1Cl ZINC000414271090 386086284 /nfs/dbraw/zinc/08/62/84/386086284.db2.gz POOGMONVCQHPQA-HNNXBMFYSA-N 0 0 244.787 3.635 20 0 BHADRN CC(C)(C)C[S@](=O)Cc1ccccc1Cl ZINC000414271091 191478604 /nfs/dbraw/zinc/47/86/04/191478604.db2.gz POOGMONVCQHPQA-OAHLLOKOSA-N 0 0 244.787 3.635 20 0 BHADRN C[C@H](c1ccccc1)[S@@](=O)CC(C)(C)C ZINC000414272039 386088599 /nfs/dbraw/zinc/08/85/99/386088599.db2.gz PZEBOBPKAYXATP-ABAIWWIYSA-N 0 0 224.369 3.542 20 0 BHADRN C[C@H](c1ccccc1)[S@](=O)CC(C)(C)C ZINC000414272040 191478789 /nfs/dbraw/zinc/47/87/89/191478789.db2.gz PZEBOBPKAYXATP-IAQYHMDHSA-N 0 0 224.369 3.542 20 0 BHADRN C[C@@H](c1ccccc1)[S@@](=O)CC(C)(C)C ZINC000414272041 191479260 /nfs/dbraw/zinc/47/92/60/191479260.db2.gz PZEBOBPKAYXATP-NHYWBVRUSA-N 0 0 224.369 3.542 20 0 BHADRN C[C@@H](c1ccccc1)[S@](=O)CC(C)(C)C ZINC000414272042 386088892 /nfs/dbraw/zinc/08/88/92/386088892.db2.gz PZEBOBPKAYXATP-XHDPSFHLSA-N 0 0 224.369 3.542 20 0 BHADRN CCCCC[S@](=O)c1ccccc1Cl ZINC000414272322 191478671 /nfs/dbraw/zinc/47/86/71/191478671.db2.gz NNGZDWPRCGRWFA-AWEZNQCLSA-N 0 0 230.760 3.638 20 0 BHADRN CCCCC[S@@](=O)c1ccccc1Cl ZINC000414272323 386089583 /nfs/dbraw/zinc/08/95/83/386089583.db2.gz NNGZDWPRCGRWFA-CQSZACIVSA-N 0 0 230.760 3.638 20 0 BHADRN CC(C)CCC[S@](=O)c1ccccc1Cl ZINC000414272765 191478640 /nfs/dbraw/zinc/47/86/40/191478640.db2.gz NYJSVIUOKUNDFY-HNNXBMFYSA-N 0 0 244.787 3.884 20 0 BHADRN CC(C)CCC[S@@](=O)c1ccccc1Cl ZINC000414272766 386090174 /nfs/dbraw/zinc/09/01/74/386090174.db2.gz NYJSVIUOKUNDFY-OAHLLOKOSA-N 0 0 244.787 3.884 20 0 BHADRN C[C@H](c1ccccc1F)[S@@](=O)CC(C)(C)C ZINC000414274886 191478580 /nfs/dbraw/zinc/47/85/80/191478580.db2.gz SLNFGFAKVRHQKJ-HWPZZCPQSA-N 0 0 242.359 3.682 20 0 BHADRN C[C@@H](c1ccccc1F)[S@](=O)CC(C)(C)C ZINC000414274887 386089619 /nfs/dbraw/zinc/08/96/19/386089619.db2.gz SLNFGFAKVRHQKJ-MGPLVRAMSA-N 0 0 242.359 3.682 20 0 BHADRN C[C@@H](c1ccccc1F)[S@@](=O)CC(C)(C)C ZINC000414274889 191479242 /nfs/dbraw/zinc/47/92/42/191479242.db2.gz SLNFGFAKVRHQKJ-QFYYESIMSA-N 0 0 242.359 3.682 20 0 BHADRN C[C@H](c1ccccc1F)[S@](=O)CC(C)(C)C ZINC000414274891 386089324 /nfs/dbraw/zinc/08/93/24/386089324.db2.gz SLNFGFAKVRHQKJ-QLJPJBMISA-N 0 0 242.359 3.682 20 0 BHADRN CCCC[S@](=O)Cc1cccc(F)c1Cl ZINC000414275175 386090269 /nfs/dbraw/zinc/09/02/69/386090269.db2.gz SVGPEWJLQFEEAV-HNNXBMFYSA-N 0 0 248.750 3.528 20 0 BHADRN CCCC[S@@](=O)Cc1cccc(F)c1Cl ZINC000414275176 386089181 /nfs/dbraw/zinc/08/91/81/386089181.db2.gz SVGPEWJLQFEEAV-OAHLLOKOSA-N 0 0 248.750 3.528 20 0 BHADRN CCCC[S@](=O)Cc1c(C)cccc1Cl ZINC000414276743 386092390 /nfs/dbraw/zinc/09/23/90/386092390.db2.gz WAEMXEDUCWAJAD-HNNXBMFYSA-N 0 0 244.787 3.697 20 0 BHADRN CCCC[S@@](=O)Cc1c(C)cccc1Cl ZINC000414276745 386092474 /nfs/dbraw/zinc/09/24/74/386092474.db2.gz WAEMXEDUCWAJAD-OAHLLOKOSA-N 0 0 244.787 3.697 20 0 BHADRN Cc1cc(C)cc(C[S@](=O)CC(C)(C)C)c1 ZINC000414277248 386091877 /nfs/dbraw/zinc/09/18/77/386091877.db2.gz WQWRKUUEZNYOCE-INIZCTEOSA-N 0 0 238.396 3.598 20 0 BHADRN Cc1cc(C)cc(C[S@@](=O)CC(C)(C)C)c1 ZINC000414277250 386090923 /nfs/dbraw/zinc/09/09/23/386090923.db2.gz WQWRKUUEZNYOCE-MRXNPFEDSA-N 0 0 238.396 3.598 20 0 BHADRN CC(C)(C)C[S@@](=O)Cc1cccc(Cl)c1 ZINC000414277287 386091752 /nfs/dbraw/zinc/09/17/52/386091752.db2.gz WUFJPVHONIQUAE-HNNXBMFYSA-N 0 0 244.787 3.635 20 0 BHADRN CC(C)(C)C[S@](=O)Cc1cccc(Cl)c1 ZINC000414277288 191480292 /nfs/dbraw/zinc/48/02/92/191480292.db2.gz WUFJPVHONIQUAE-OAHLLOKOSA-N 0 0 244.787 3.635 20 0 BHADRN CC(C)(C)C[S@@](=O)CCCC1CCCC1 ZINC000414278401 386092491 /nfs/dbraw/zinc/09/24/91/386092491.db2.gz YKRMDRJTYUDRRY-HNNXBMFYSA-N 0 0 230.417 3.752 20 0 BHADRN CC(C)(C)C[S@](=O)CCCC1CCCC1 ZINC000414278412 386090935 /nfs/dbraw/zinc/09/09/35/386090935.db2.gz YKRMDRJTYUDRRY-OAHLLOKOSA-N 0 0 230.417 3.752 20 0 BHADRN O=[S@@](CC1CCCC1)c1ccccc1Cl ZINC000414278913 386091275 /nfs/dbraw/zinc/09/12/75/386091275.db2.gz YALWURAKEURUHO-HNNXBMFYSA-N 0 0 242.771 3.638 20 0 BHADRN O=[S@](CC1CCCC1)c1ccccc1Cl ZINC000414278916 386092200 /nfs/dbraw/zinc/09/22/00/386092200.db2.gz YALWURAKEURUHO-OAHLLOKOSA-N 0 0 242.771 3.638 20 0 BHADRN CC[C@@H](C)C[S@](=O)CC1(C)CCCCC1 ZINC000414280527 386093575 /nfs/dbraw/zinc/09/35/75/386093575.db2.gz LNOBBVUBZZCYRI-DOMZBBRYSA-N 0 0 230.417 3.752 20 0 BHADRN CC[C@@H](C)C[S@@](=O)CC1(C)CCCCC1 ZINC000414280528 386094186 /nfs/dbraw/zinc/09/41/86/386094186.db2.gz LNOBBVUBZZCYRI-IUODEOHRSA-N 0 0 230.417 3.752 20 0 BHADRN CC[C@H](C)C[S@@](=O)CC1(C)CCCCC1 ZINC000414280629 386093770 /nfs/dbraw/zinc/09/37/70/386093770.db2.gz LNOBBVUBZZCYRI-SWLSCSKDSA-N 0 0 230.417 3.752 20 0 BHADRN CC[C@H](C)C[S@](=O)CC1(C)CCCCC1 ZINC000414280630 386093022 /nfs/dbraw/zinc/09/30/22/386093022.db2.gz LNOBBVUBZZCYRI-WFASDCNBSA-N 0 0 230.417 3.752 20 0 BHADRN CCCCC[S@](=O)CC1(C)CCCCC1 ZINC000414283006 386093146 /nfs/dbraw/zinc/09/31/46/386093146.db2.gz OOTICFGXIBGGQJ-HNNXBMFYSA-N 0 0 230.417 3.896 20 0 BHADRN CCCCC[S@@](=O)CC1(C)CCCCC1 ZINC000414283008 191480891 /nfs/dbraw/zinc/48/08/91/191480891.db2.gz OOTICFGXIBGGQJ-OAHLLOKOSA-N 0 0 230.417 3.896 20 0 BHADRN O=[S@@](CC1CC1)c1cc(Cl)ccc1Cl ZINC000414283028 386093669 /nfs/dbraw/zinc/09/36/69/386093669.db2.gz DWNAGACLGPJYOF-AWEZNQCLSA-N 0 0 249.162 3.511 20 0 BHADRN O=[S@](CC1CC1)c1cc(Cl)ccc1Cl ZINC000414283030 386094338 /nfs/dbraw/zinc/09/43/38/386094338.db2.gz DWNAGACLGPJYOF-CQSZACIVSA-N 0 0 249.162 3.511 20 0 BHADRN CC1(C[S@@](=O)CC2CCCC2)CCCCC1 ZINC000414285437 386095703 /nfs/dbraw/zinc/09/57/03/386095703.db2.gz ROGUHRWKXAILCL-INIZCTEOSA-N 0 0 242.428 3.896 20 0 BHADRN CC1(C[S@](=O)CC2CCCC2)CCCCC1 ZINC000414285438 386096488 /nfs/dbraw/zinc/09/64/88/386096488.db2.gz ROGUHRWKXAILCL-MRXNPFEDSA-N 0 0 242.428 3.896 20 0 BHADRN Cc1ccc(CNc2cccc(C(C)C)c2)nn1 ZINC000414286030 386095792 /nfs/dbraw/zinc/09/57/92/386095792.db2.gz BXJNLYYAOLIDSM-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN CC1(C[S@@](=O)CCC2CC2)CCCCC1 ZINC000414286219 386096432 /nfs/dbraw/zinc/09/64/32/386096432.db2.gz SEDQUONBHLWLHA-HNNXBMFYSA-N 0 0 228.401 3.506 20 0 BHADRN CC1(C[S@](=O)CCC2CC2)CCCCC1 ZINC000414286222 386096379 /nfs/dbraw/zinc/09/63/79/386096379.db2.gz SEDQUONBHLWLHA-OAHLLOKOSA-N 0 0 228.401 3.506 20 0 BHADRN CCCC[S@](=O)CC1(C)CCCCC1 ZINC000414286781 386096852 /nfs/dbraw/zinc/09/68/52/386096852.db2.gz SYECTFWZNNDITQ-AWEZNQCLSA-N 0 0 216.390 3.506 20 0 BHADRN CCCC[S@@](=O)CC1(C)CCCCC1 ZINC000414286782 386096104 /nfs/dbraw/zinc/09/61/04/386096104.db2.gz SYECTFWZNNDITQ-CQSZACIVSA-N 0 0 216.390 3.506 20 0 BHADRN Cc1occc1CNc1cncc(Cl)c1C ZINC000414294899 386102525 /nfs/dbraw/zinc/10/25/25/386102525.db2.gz CIPOCZICPLDJEK-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1ccc(CNc2ccc(C(C)C)cc2)nn1 ZINC000414300515 386108006 /nfs/dbraw/zinc/10/80/06/386108006.db2.gz SGNGXEKVNFLYGZ-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN C[C@H]1C[C@H](CC[S@](=O)CC2CC2)C[C@@H](C)C1 ZINC000414301171 386108606 /nfs/dbraw/zinc/10/86/06/386108606.db2.gz SMXWULLPVYIRBD-DMEJVMROSA-N 0 0 242.428 3.608 20 0 BHADRN C[C@H]1CC(CC[S@](=O)CC2CC2)C[C@H](C)C1 ZINC000414301173 191486476 /nfs/dbraw/zinc/48/64/76/191486476.db2.gz SMXWULLPVYIRBD-HSMVNMDESA-N 0 0 242.428 3.608 20 0 BHADRN C[C@H]1C[C@H](CC[S@@](=O)CC2CC2)C[C@@H](C)C1 ZINC000414301175 386108130 /nfs/dbraw/zinc/10/81/30/386108130.db2.gz SMXWULLPVYIRBD-TWJWRFFLSA-N 0 0 242.428 3.608 20 0 BHADRN C[C@H]1CC(CC[S@@](=O)CC2CC2)C[C@H](C)C1 ZINC000414301177 386108877 /nfs/dbraw/zinc/10/88/77/386108877.db2.gz SMXWULLPVYIRBD-XHBSWPGZSA-N 0 0 242.428 3.608 20 0 BHADRN Cc1occc1CNc1ncccc1C(C)C ZINC000414310410 386114306 /nfs/dbraw/zinc/11/43/06/386114306.db2.gz HMTYDQHWESMABB-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccoc2C)o1 ZINC000414355066 386143099 /nfs/dbraw/zinc/14/30/99/386143099.db2.gz BHALYXUAQQYVDJ-LLVKDONJSA-N 0 0 247.338 3.600 20 0 BHADRN Cc1ccc(CC[C@H](C)[NH2+]Cc2ccoc2C)o1 ZINC000414355068 386144125 /nfs/dbraw/zinc/14/41/25/386144125.db2.gz BHALYXUAQQYVDJ-NSHDSACASA-N 0 0 247.338 3.600 20 0 BHADRN Cc1occc1CNc1cccc(OCCF)c1 ZINC000414357324 386146578 /nfs/dbraw/zinc/14/65/78/386146578.db2.gz CIVFDQOOKJHNBH-UHFFFAOYSA-N 0 0 249.285 3.548 20 0 BHADRN CCOCc1cccc(NCc2ccoc2C)c1 ZINC000414358728 386146257 /nfs/dbraw/zinc/14/62/57/386146257.db2.gz HPWRSVWSGKBILA-UHFFFAOYSA-N 0 0 245.322 3.737 20 0 BHADRN CCOc1cc(NCc2ccoc2C)ccc1C ZINC000414358758 386146455 /nfs/dbraw/zinc/14/64/55/386146455.db2.gz HUDPQQONTJHURZ-UHFFFAOYSA-N 0 0 245.322 3.907 20 0 BHADRN CO[C@H](C)c1cccc(NCc2ccoc2C)c1 ZINC000414361847 398220150 /nfs/dbraw/zinc/22/01/50/398220150.db2.gz QWLWFEZVWHLSCV-LLVKDONJSA-N 0 0 245.322 3.908 20 0 BHADRN CO[C@@H](C)c1cccc(NCc2ccoc2C)c1 ZINC000414361849 191499060 /nfs/dbraw/zinc/49/90/60/191499060.db2.gz QWLWFEZVWHLSCV-NSHDSACASA-N 0 0 245.322 3.908 20 0 BHADRN CCCCn1ncc(NCc2ccoc2C)c1C ZINC000414362556 398220151 /nfs/dbraw/zinc/22/01/51/398220151.db2.gz FHFUHTKFAIERMM-UHFFFAOYSA-N 0 0 247.342 3.505 20 0 BHADRN Cc1occc1CN(CC(C)C)CC(F)(F)F ZINC000414372086 386172476 /nfs/dbraw/zinc/17/24/76/386172476.db2.gz OSQMQGVUYSFEAL-UHFFFAOYSA-N 0 0 249.276 3.608 20 0 BHADRN CCOCc1ccc(NCc2ccoc2C)cc1 ZINC000414372352 191501497 /nfs/dbraw/zinc/50/14/97/191501497.db2.gz XLLIFGKFROPIDE-UHFFFAOYSA-N 0 0 245.322 3.737 20 0 BHADRN CCCCN(Cc1ccoc1C)CC(F)(F)F ZINC000414375486 386191402 /nfs/dbraw/zinc/19/14/02/386191402.db2.gz XJWJJMFVDUJXNU-UHFFFAOYSA-N 0 0 249.276 3.752 20 0 BHADRN Cc1occc1CNc1cccc2c1OCCC2 ZINC000414378346 351220070 /nfs/dbraw/zinc/22/00/70/351220070.db2.gz KQWMVTABEIHSIF-UHFFFAOYSA-N 0 0 243.306 3.525 20 0 BHADRN Cc1occc1CNC1(c2ccccc2F)CC1 ZINC000414388415 386243021 /nfs/dbraw/zinc/24/30/21/386243021.db2.gz CBVNIDRWBAINRU-UHFFFAOYSA-N 0 0 245.297 3.506 20 0 BHADRN Cc1occc1CNc1cccc(N(C)C)c1C ZINC000414406656 386327061 /nfs/dbraw/zinc/32/70/61/386327061.db2.gz WJHHIXWDKNNIFL-UHFFFAOYSA-N 0 0 244.338 3.575 20 0 BHADRN Cc1ccc(NC(=O)N2CC(C)(C)C[C@H]2C)cc1 ZINC000414414205 200750532 /nfs/dbraw/zinc/75/05/32/200750532.db2.gz MZIIAMAQQABBBN-GFCCVEGCSA-N 0 0 246.354 3.647 20 0 BHADRN Cc1ccc(NC(=O)N2CC(C)(C)C[C@@H]2C)cc1 ZINC000414414207 386346284 /nfs/dbraw/zinc/34/62/84/386346284.db2.gz MZIIAMAQQABBBN-LBPRGKRZSA-N 0 0 246.354 3.647 20 0 BHADRN CCN(C(=O)Nc1ccccc1)C1CC(C)(C)C1 ZINC000414421061 386371331 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386155949 /nfs/dbraw/zinc/15/59/49/386155949.db2.gz QAULXOZTHSCYNR-WFASDCNBSA-N 0 0 243.350 3.618 20 0 BHADRN C[C@@H]1C[C@@H]1N(C(=O)C1CCCC1)c1ccccc1 ZINC000415897710 386158867 /nfs/dbraw/zinc/15/88/67/386158867.db2.gz GFBDBNHUZIUCSE-DOMZBBRYSA-N 0 0 243.350 3.618 20 0 BHADRN C[C@@H]1C[C@H]1N(C(=O)C1CCCC1)c1ccccc1 ZINC000415897711 386158977 /nfs/dbraw/zinc/15/89/77/386158977.db2.gz GFBDBNHUZIUCSE-IUODEOHRSA-N 0 0 243.350 3.618 20 0 BHADRN C[C@H]1C[C@H]1N(C(=O)C1CCCC1)c1ccccc1 ZINC000415897712 386159346 /nfs/dbraw/zinc/15/93/46/386159346.db2.gz GFBDBNHUZIUCSE-SWLSCSKDSA-N 0 0 243.350 3.618 20 0 BHADRN C[C@H]1C[C@@H]1N(C(=O)C1CCCC1)c1ccccc1 ZINC000415897713 191702297 /nfs/dbraw/zinc/70/22/97/191702297.db2.gz GFBDBNHUZIUCSE-WFASDCNBSA-N 0 0 243.350 3.618 20 0 BHADRN CCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H]1C ZINC000415906203 386162445 /nfs/dbraw/zinc/16/24/45/386162445.db2.gz PLGGEVXUPHEZQM-GXTWGEPZSA-N 0 0 231.339 3.618 20 0 BHADRN CCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H]1C ZINC000415906204 386161126 /nfs/dbraw/zinc/16/11/26/386161126.db2.gz PLGGEVXUPHEZQM-JSGCOSHPSA-N 0 0 231.339 3.618 20 0 BHADRN CCCCC(=O)N(c1ccccc1)[C@H]1C[C@H]1C ZINC000415906205 191703140 /nfs/dbraw/zinc/70/31/40/191703140.db2.gz PLGGEVXUPHEZQM-OCCSQVGLSA-N 0 0 231.339 3.618 20 0 BHADRN CCCCC(=O)N(c1ccccc1)[C@@H]1C[C@H]1C ZINC000415906206 386162805 /nfs/dbraw/zinc/16/28/05/386162805.db2.gz PLGGEVXUPHEZQM-TZMCWYRMSA-N 0 0 231.339 3.618 20 0 BHADRN CCC(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000415981209 386175509 /nfs/dbraw/zinc/17/55/09/386175509.db2.gz IOYPVYRLLDXVGY-CABCVRRESA-N 0 0 245.366 3.581 20 0 BHADRN CCC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000415981210 191704383 /nfs/dbraw/zinc/70/43/83/191704383.db2.gz IOYPVYRLLDXVGY-GJZGRUSLSA-N 0 0 245.366 3.581 20 0 BHADRN CCC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000415981211 191704489 /nfs/dbraw/zinc/70/44/89/191704489.db2.gz IOYPVYRLLDXVGY-HUUCEWRRSA-N 0 0 245.366 3.581 20 0 BHADRN CCC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000415981212 191703824 /nfs/dbraw/zinc/70/38/24/191703824.db2.gz IOYPVYRLLDXVGY-LSDHHAIUSA-N 0 0 245.366 3.581 20 0 BHADRN CC(C)(C)CCCCC(=O)NC[C@H]1CC12CC2 ZINC000416044898 386180559 /nfs/dbraw/zinc/18/05/59/386180559.db2.gz JFIIMUOKXDKCDM-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CC(C)(C)CCCCC(=O)NC[C@@H]1CC12CC2 ZINC000416044901 191705654 /nfs/dbraw/zinc/70/56/54/191705654.db2.gz JFIIMUOKXDKCDM-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H](NC(=O)CC1CC1)c1ccc(C2CC2)cc1 ZINC000416053362 386184032 /nfs/dbraw/zinc/18/40/32/386184032.db2.gz DECVKNKYWSTJJF-LLVKDONJSA-N 0 0 243.350 3.541 20 0 BHADRN C[C@H](NC(=O)CC1CC1)c1ccc(C2CC2)cc1 ZINC000416053363 191706976 /nfs/dbraw/zinc/70/69/76/191706976.db2.gz DECVKNKYWSTJJF-NSHDSACASA-N 0 0 243.350 3.541 20 0 BHADRN CCCC(=O)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000416054502 386183680 /nfs/dbraw/zinc/18/36/80/386183680.db2.gz FIMOLCIPJHQDQD-LLVKDONJSA-N 0 0 231.339 3.541 20 0 BHADRN CCCC(=O)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000416054503 386183714 /nfs/dbraw/zinc/18/37/14/386183714.db2.gz FIMOLCIPJHQDQD-NSHDSACASA-N 0 0 231.339 3.541 20 0 BHADRN C[C@@H](NC(=O)C1(C)CC1)c1ccc(C2CC2)cc1 ZINC000416055874 386186561 /nfs/dbraw/zinc/18/65/61/386186561.db2.gz GYWOAQAEAXZMBX-LLVKDONJSA-N 0 0 243.350 3.541 20 0 BHADRN C[C@H](NC(=O)C1(C)CC1)c1ccc(C2CC2)cc1 ZINC000416055875 386186388 /nfs/dbraw/zinc/18/63/88/386186388.db2.gz GYWOAQAEAXZMBX-NSHDSACASA-N 0 0 243.350 3.541 20 0 BHADRN CCCC1(C(=O)N[C@@H](CC)[C@H]2CC2(C)C)CC1 ZINC000416058615 386205588 /nfs/dbraw/zinc/20/55/88/386205588.db2.gz AIUMMMVNAFKTRR-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC1(C(=O)N[C@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000416058616 386205812 /nfs/dbraw/zinc/20/58/12/386205812.db2.gz AIUMMMVNAFKTRR-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC1(C(=O)N[C@@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000416058617 386206196 /nfs/dbraw/zinc/20/61/96/386206196.db2.gz AIUMMMVNAFKTRR-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC1(C(=O)N[C@H](CC)[C@H]2CC2(C)C)CC1 ZINC000416058618 386205373 /nfs/dbraw/zinc/20/53/73/386205373.db2.gz AIUMMMVNAFKTRR-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)NC[C@@H]1CC12CC2 ZINC000416058999 386206167 /nfs/dbraw/zinc/20/61/67/386206167.db2.gz BCNXZEUBSRGLQW-KBPBESRZSA-N 0 0 249.398 3.509 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)NC[C@@H]1CC12CC2 ZINC000416059000 191714041 /nfs/dbraw/zinc/71/40/41/191714041.db2.gz BCNXZEUBSRGLQW-KGLIPLIRSA-N 0 0 249.398 3.509 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)NC[C@H]1CC12CC2 ZINC000416059001 386206335 /nfs/dbraw/zinc/20/63/35/386206335.db2.gz BCNXZEUBSRGLQW-UONOGXRCSA-N 0 0 249.398 3.509 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)NC[C@H]1CC12CC2 ZINC000416059004 191713733 /nfs/dbraw/zinc/71/37/33/191713733.db2.gz BCNXZEUBSRGLQW-ZIAGYGMSSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H](CC1CCCCC1)C(=O)NC[C@H]1CC12CC2 ZINC000416059129 386205478 /nfs/dbraw/zinc/20/54/78/386205478.db2.gz BMEYPMJIDRMFGS-GXTWGEPZSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CC12CC2 ZINC000416059130 191713889 /nfs/dbraw/zinc/71/38/89/191713889.db2.gz BMEYPMJIDRMFGS-JSGCOSHPSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CC12CC2 ZINC000416059132 386205893 /nfs/dbraw/zinc/20/58/93/386205893.db2.gz BMEYPMJIDRMFGS-OCCSQVGLSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC12CC2 ZINC000416059134 191714019 /nfs/dbraw/zinc/71/40/19/191714019.db2.gz BMEYPMJIDRMFGS-TZMCWYRMSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H](NC(=O)C1CCC1)c1ccc(C2CC2)cc1 ZINC000416059468 386206236 /nfs/dbraw/zinc/20/62/36/386206236.db2.gz JZDNASRPNVWBDE-LLVKDONJSA-N 0 0 243.350 3.541 20 0 BHADRN C[C@H](NC(=O)C1CCC1)c1ccc(C2CC2)cc1 ZINC000416059470 386205850 /nfs/dbraw/zinc/20/58/50/386205850.db2.gz JZDNASRPNVWBDE-NSHDSACASA-N 0 0 243.350 3.541 20 0 BHADRN C[C@@H](NC(=O)C(C)(C)C)c1ccc(C2CC2)cc1 ZINC000416060021 386206186 /nfs/dbraw/zinc/20/61/86/386206186.db2.gz KGVJQKVFRLCTGW-LLVKDONJSA-N 0 0 245.366 3.787 20 0 BHADRN C[C@H](NC(=O)C(C)(C)C)c1ccc(C2CC2)cc1 ZINC000416060023 386206061 /nfs/dbraw/zinc/20/60/61/386206061.db2.gz KGVJQKVFRLCTGW-NSHDSACASA-N 0 0 245.366 3.787 20 0 BHADRN CCCCC(=O)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000416060625 191713652 /nfs/dbraw/zinc/71/36/52/191713652.db2.gz KVVYATBCGDXUHI-GFCCVEGCSA-N 0 0 245.366 3.931 20 0 BHADRN CCCCC(=O)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000416060626 386208297 /nfs/dbraw/zinc/20/82/97/386208297.db2.gz KVVYATBCGDXUHI-LBPRGKRZSA-N 0 0 245.366 3.931 20 0 BHADRN CC1(C)CCC[C@H](CC(=O)NC[C@H]2CC23CC3)C1 ZINC000416063668 386207830 /nfs/dbraw/zinc/20/78/30/386207830.db2.gz FXKBLVBZCZHDIA-CHWSQXEVSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C)CCC[C@H](CC(=O)NC[C@@H]2CC23CC3)C1 ZINC000416063669 386208300 /nfs/dbraw/zinc/20/83/00/386208300.db2.gz FXKBLVBZCZHDIA-OLZOCXBDSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C)CCC[C@@H](CC(=O)NC[C@H]2CC23CC3)C1 ZINC000416063670 386207481 /nfs/dbraw/zinc/20/74/81/386207481.db2.gz FXKBLVBZCZHDIA-QWHCGFSZSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C)CCC[C@@H](CC(=O)NC[C@@H]2CC23CC3)C1 ZINC000416063672 386207072 /nfs/dbraw/zinc/20/70/72/386207072.db2.gz FXKBLVBZCZHDIA-STQMWFEESA-N 0 0 249.398 3.509 20 0 BHADRN CC(C)CC(=O)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000416063827 386207435 /nfs/dbraw/zinc/20/74/35/386207435.db2.gz OTORWESQZDFMAN-GFCCVEGCSA-N 0 0 245.366 3.787 20 0 BHADRN CC(C)CC(=O)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000416063828 386207155 /nfs/dbraw/zinc/20/71/55/386207155.db2.gz OTORWESQZDFMAN-LBPRGKRZSA-N 0 0 245.366 3.787 20 0 BHADRN CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000416066926 386209444 /nfs/dbraw/zinc/20/94/44/386209444.db2.gz RXXSIHQICONVMB-NEPJUHHUSA-N 0 0 245.366 3.787 20 0 BHADRN CC[C@H](C)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000416066927 386209629 /nfs/dbraw/zinc/20/96/29/386209629.db2.gz RXXSIHQICONVMB-NWDGAFQWSA-N 0 0 245.366 3.787 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000416066928 386209605 /nfs/dbraw/zinc/20/96/05/386209605.db2.gz RXXSIHQICONVMB-RYUDHWBXSA-N 0 0 245.366 3.787 20 0 BHADRN CC[C@@H](C)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000416066929 386209099 /nfs/dbraw/zinc/20/90/99/386209099.db2.gz RXXSIHQICONVMB-VXGBXAGGSA-N 0 0 245.366 3.787 20 0 BHADRN CC1(C)CCCC[C@@H]1CC(=O)NC[C@H]1CC12CC2 ZINC000416068980 386211096 /nfs/dbraw/zinc/21/10/96/386211096.db2.gz KGAJJWTYYFAVFP-CHWSQXEVSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C)CCCC[C@@H]1CC(=O)NC[C@@H]1CC12CC2 ZINC000416068982 386211328 /nfs/dbraw/zinc/21/13/28/386211328.db2.gz KGAJJWTYYFAVFP-OLZOCXBDSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C)CCCC[C@H]1CC(=O)NC[C@H]1CC12CC2 ZINC000416068984 386210891 /nfs/dbraw/zinc/21/08/91/386210891.db2.gz KGAJJWTYYFAVFP-QWHCGFSZSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C)CCCC[C@H]1CC(=O)NC[C@@H]1CC12CC2 ZINC000416068985 386210996 /nfs/dbraw/zinc/21/09/96/386210996.db2.gz KGAJJWTYYFAVFP-STQMWFEESA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H]1CN(C(=O)CCCC(C)(C)C)[C@@H](C)[C@H]1C ZINC000416068986 386211146 /nfs/dbraw/zinc/21/11/46/386211146.db2.gz JTCXTIQAYASJPS-AGIUHOORSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)CCCC(C)(C)C ZINC000416068998 386210775 /nfs/dbraw/zinc/21/07/75/386210775.db2.gz JTCXTIQAYASJPS-FRRDWIJNSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H]1[C@@H](C)N(C(=O)CCCC(C)(C)C)C[C@H]1C ZINC000416069000 386211247 /nfs/dbraw/zinc/21/12/47/386211247.db2.gz JTCXTIQAYASJPS-JHJVBQTASA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H]1[C@H](C)CN(C(=O)CCCC(C)(C)C)[C@H]1C ZINC000416069001 386211237 /nfs/dbraw/zinc/21/12/37/386211237.db2.gz JTCXTIQAYASJPS-UPJWGTAASA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CC(=O)NC[C@H]1CC12CC2)C1CCCCC1 ZINC000416069514 386213549 /nfs/dbraw/zinc/21/35/49/386213549.db2.gz KRJKLJFNGOJNOR-GXTWGEPZSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H](CC(=O)NC[C@@H]1CC12CC2)C1CCCCC1 ZINC000416069517 386212481 /nfs/dbraw/zinc/21/24/81/386212481.db2.gz KRJKLJFNGOJNOR-JSGCOSHPSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H](CC(=O)NC[C@@H]1CC12CC2)C1CCCCC1 ZINC000416069519 386213532 /nfs/dbraw/zinc/21/35/32/386213532.db2.gz KRJKLJFNGOJNOR-OCCSQVGLSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H](CC(=O)NC[C@H]1CC12CC2)C1CCCCC1 ZINC000416069522 386213677 /nfs/dbraw/zinc/21/36/77/386213677.db2.gz KRJKLJFNGOJNOR-TZMCWYRMSA-N 0 0 249.398 3.509 20 0 BHADRN CC[C@H](CC(=O)N1C[C@H](C)[C@H](C)[C@H]1C)C(C)C ZINC000416069776 386212334 /nfs/dbraw/zinc/21/23/34/386212334.db2.gz KHSZQLQHBTVGGT-IGQOVBAYSA-N 0 0 239.403 3.562 20 0 BHADRN CC[C@H](CC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C)C(C)C ZINC000416069777 386212507 /nfs/dbraw/zinc/21/25/07/386212507.db2.gz KHSZQLQHBTVGGT-REWJHTLYSA-N 0 0 239.403 3.562 20 0 BHADRN CC[C@H](CC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C)C(C)C ZINC000416069778 386213497 /nfs/dbraw/zinc/21/34/97/386213497.db2.gz KHSZQLQHBTVGGT-RFQIPJPRSA-N 0 0 239.403 3.562 20 0 BHADRN CC[C@H](CC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C)C(C)C ZINC000416069779 386212951 /nfs/dbraw/zinc/21/29/51/386212951.db2.gz KHSZQLQHBTVGGT-XDQVBPFNSA-N 0 0 239.403 3.562 20 0 BHADRN CC[C@H](NC(=O)C1(CC)CCC1)[C@H]1CC1(C)C ZINC000416069830 386213216 /nfs/dbraw/zinc/21/32/16/386213216.db2.gz DAFLRJYMGUGXTP-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](NC(=O)C1(CC)CCC1)[C@@H]1CC1(C)C ZINC000416069831 386213037 /nfs/dbraw/zinc/21/30/37/386213037.db2.gz DAFLRJYMGUGXTP-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](NC(=O)C1(CC)CCC1)[C@@H]1CC1(C)C ZINC000416069832 386213790 /nfs/dbraw/zinc/21/37/90/386213790.db2.gz DAFLRJYMGUGXTP-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](NC(=O)C1(CC)CCC1)[C@H]1CC1(C)C ZINC000416069833 386212614 /nfs/dbraw/zinc/21/26/14/386212614.db2.gz DAFLRJYMGUGXTP-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(C(=O)NC[C@H]2CC23CC3)CCCC1 ZINC000416072666 386215471 /nfs/dbraw/zinc/21/54/71/386215471.db2.gz NJJHUWROTCDNID-CYBMUJFWSA-N 0 0 249.398 3.509 20 0 BHADRN CC(C)CC1(C(=O)NC[C@@H]2CC23CC3)CCCC1 ZINC000416072668 386214301 /nfs/dbraw/zinc/21/43/01/386214301.db2.gz NJJHUWROTCDNID-ZDUSSCGKSA-N 0 0 249.398 3.509 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000416072771 386214744 /nfs/dbraw/zinc/21/47/44/386214744.db2.gz MXGYXALGUJTWOD-AVGNSLFASA-N 0 0 239.403 3.562 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000416072772 386214411 /nfs/dbraw/zinc/21/44/11/386214411.db2.gz MXGYXALGUJTWOD-RWMBFGLXSA-N 0 0 239.403 3.562 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000416072773 386215101 /nfs/dbraw/zinc/21/51/01/386215101.db2.gz MXGYXALGUJTWOD-XQQFMLRXSA-N 0 0 239.403 3.562 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000416072774 386215347 /nfs/dbraw/zinc/21/53/47/386215347.db2.gz MXGYXALGUJTWOD-YNEHKIRRSA-N 0 0 239.403 3.562 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000416073551 386216779 /nfs/dbraw/zinc/21/67/79/386216779.db2.gz NOWBFFOTCHUJLU-CYDGBPFRSA-N 0 0 239.403 3.562 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000416073552 386216427 /nfs/dbraw/zinc/21/64/27/386216427.db2.gz NOWBFFOTCHUJLU-QNWHQSFQSA-N 0 0 239.403 3.562 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000416073553 386216182 /nfs/dbraw/zinc/21/61/82/386216182.db2.gz NOWBFFOTCHUJLU-RNJOBUHISA-N 0 0 239.403 3.562 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000416073554 386216885 /nfs/dbraw/zinc/21/68/85/386216885.db2.gz NOWBFFOTCHUJLU-ZDEQEGDKSA-N 0 0 239.403 3.562 20 0 BHADRN CCCC[C@@H](CC)CC(=O)NC[C@H]1CC12CC2 ZINC000416075088 386193377 /nfs/dbraw/zinc/19/33/77/386193377.db2.gz QBGRXQKEITXRAN-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@@H](CC)CC(=O)NC[C@@H]1CC12CC2 ZINC000416075089 386193870 /nfs/dbraw/zinc/19/38/70/386193870.db2.gz QBGRXQKEITXRAN-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](CC)CC(=O)NC[C@H]1CC12CC2 ZINC000416075091 386192521 /nfs/dbraw/zinc/19/25/21/386192521.db2.gz QBGRXQKEITXRAN-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](CC)CC(=O)NC[C@@H]1CC12CC2 ZINC000416075093 386193464 /nfs/dbraw/zinc/19/34/64/386193464.db2.gz QBGRXQKEITXRAN-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](CC)C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000416077359 386195433 /nfs/dbraw/zinc/19/54/33/386195433.db2.gz RPZDXJQBADBICS-CRWXNKLISA-N 0 0 239.403 3.706 20 0 BHADRN CCCC[C@H](CC)C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000416077360 191708845 /nfs/dbraw/zinc/70/88/45/191708845.db2.gz RPZDXJQBADBICS-DGAVXFQQSA-N 0 0 239.403 3.706 20 0 BHADRN CCCC[C@H](CC)C(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000416077361 191709388 /nfs/dbraw/zinc/70/93/88/191709388.db2.gz RPZDXJQBADBICS-FQUUOJAGSA-N 0 0 239.403 3.706 20 0 BHADRN CCCC[C@H](CC)C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000416077362 386195775 /nfs/dbraw/zinc/19/57/75/386195775.db2.gz RPZDXJQBADBICS-XUXIUFHCSA-N 0 0 239.403 3.706 20 0 BHADRN O=C(CCCC1CCCCC1)NC[C@@H]1CC12CC2 ZINC000416077510 386194750 /nfs/dbraw/zinc/19/47/50/386194750.db2.gz SPZKGYIDKURVKG-AWEZNQCLSA-N 0 0 249.398 3.653 20 0 BHADRN O=C(CCCC1CCCCC1)NC[C@H]1CC12CC2 ZINC000416077512 386195685 /nfs/dbraw/zinc/19/56/85/386195685.db2.gz SPZKGYIDKURVKG-CQSZACIVSA-N 0 0 249.398 3.653 20 0 BHADRN CC1(C)CCC(CC(=O)NC[C@H]2CC23CC3)CC1 ZINC000416078290 191709268 /nfs/dbraw/zinc/70/92/68/191709268.db2.gz 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CCC[C@H](C(=O)N1C[C@H](C)[C@H](C)[C@H]1C)C(C)C ZINC000416081976 191711433 /nfs/dbraw/zinc/71/14/33/191711433.db2.gz WXNINTMTAQKGGQ-FQUUOJAGSA-N 0 0 239.403 3.562 20 0 BHADRN CCC[C@H](C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C)C(C)C ZINC000416081978 191711395 /nfs/dbraw/zinc/71/13/95/191711395.db2.gz WXNINTMTAQKGGQ-XUXIUFHCSA-N 0 0 239.403 3.562 20 0 BHADRN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](C)[C@H]1C)C(C)(C)C ZINC000416083923 191711445 /nfs/dbraw/zinc/71/14/45/191711445.db2.gz YRZMMYVTURZISJ-MROQNXINSA-N 0 0 239.403 3.562 20 0 BHADRN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](C)[C@@H]1C)C(C)(C)C ZINC000416083924 386199369 /nfs/dbraw/zinc/19/93/69/386199369.db2.gz YRZMMYVTURZISJ-VOAKCMCISA-N 0 0 239.403 3.562 20 0 BHADRN C[C@@H](CC(=O)N1C[C@@H](C)[C@@H](C)[C@@H]1C)C(C)(C)C ZINC000416083925 386198799 /nfs/dbraw/zinc/19/87/99/386198799.db2.gz YRZMMYVTURZISJ-XQHKEYJVSA-N 0 0 239.403 3.562 20 0 BHADRN C[C@@H](CC(=O)N1C[C@@H](C)[C@@H](C)[C@H]1C)C(C)(C)C ZINC000416083926 191710927 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386270216 /nfs/dbraw/zinc/27/02/16/386270216.db2.gz MHAAHLQEJOEEFF-STQMWFEESA-N 0 0 249.354 3.566 20 0 BHADRN CN(C(=O)c1ccco1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416311388 386273926 /nfs/dbraw/zinc/27/39/26/386273926.db2.gz PCZKTAABZMGVRR-NEPJUHHUSA-N 0 0 249.354 3.566 20 0 BHADRN CN(C(=O)c1ccco1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416311389 386273763 /nfs/dbraw/zinc/27/37/63/386273763.db2.gz PCZKTAABZMGVRR-NWDGAFQWSA-N 0 0 249.354 3.566 20 0 BHADRN CN(C(=O)c1ccco1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416311390 386272530 /nfs/dbraw/zinc/27/25/30/386272530.db2.gz PCZKTAABZMGVRR-RYUDHWBXSA-N 0 0 249.354 3.566 20 0 BHADRN CN(C(=O)c1ccco1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416311391 386273847 /nfs/dbraw/zinc/27/38/47/386273847.db2.gz PCZKTAABZMGVRR-VXGBXAGGSA-N 0 0 249.354 3.566 20 0 BHADRN CC[C@H](C)C(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416315461 386273716 /nfs/dbraw/zinc/27/37/16/386273716.db2.gz VCEWIGONYCHGND-AVGNSLFASA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](C)C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416315462 386272344 /nfs/dbraw/zinc/27/23/44/386272344.db2.gz VCEWIGONYCHGND-RWMBFGLXSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](C)C(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416315463 386274055 /nfs/dbraw/zinc/27/40/55/386274055.db2.gz VCEWIGONYCHGND-XQQFMLRXSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](C)C(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416315464 386272296 /nfs/dbraw/zinc/27/22/96/386272296.db2.gz VCEWIGONYCHGND-YNEHKIRRSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416316766 386274757 /nfs/dbraw/zinc/27/47/57/386274757.db2.gz WBIQMYVUPJFHPM-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416316767 386276460 /nfs/dbraw/zinc/27/64/60/386276460.db2.gz WBIQMYVUPJFHPM-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416316768 386275698 /nfs/dbraw/zinc/27/56/98/386275698.db2.gz WBIQMYVUPJFHPM-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416316769 386276397 /nfs/dbraw/zinc/27/63/97/386276397.db2.gz WBIQMYVUPJFHPM-STQMWFEESA-N 0 0 239.403 3.706 20 0 BHADRN Cc1c2c(nc3ccccc31)CS[C@@H]2C ZINC000416391752 191744500 /nfs/dbraw/zinc/74/45/00/191744500.db2.gz RDBFIZRMHBMPFQ-SECBINFHSA-N 0 0 215.321 3.851 20 0 BHADRN Cc1c2c(nc3ccccc31)CS[C@H]2C ZINC000416391918 386310092 /nfs/dbraw/zinc/31/00/92/386310092.db2.gz RDBFIZRMHBMPFQ-VIFPVBQESA-N 0 0 215.321 3.851 20 0 BHADRN Cc1c2c(nc3cc(F)ccc13)CS[C@@H]2C ZINC000416391921 386311396 /nfs/dbraw/zinc/31/13/96/386311396.db2.gz RENGCHHYWRNQSE-MRVPVSSYSA-N 0 0 233.311 3.990 20 0 BHADRN Cc1c2c(nc3cc(F)ccc13)CS[C@H]2C ZINC000416391922 386311556 /nfs/dbraw/zinc/31/15/56/386311556.db2.gz RENGCHHYWRNQSE-QMMMGPOBSA-N 0 0 233.311 3.990 20 0 BHADRN c1sc(C2CC2)nc1CCc1ccccc1 ZINC000416398237 386292081 /nfs/dbraw/zinc/29/20/81/386292081.db2.gz AMUKQMWEMVIBHQ-UHFFFAOYSA-N 0 0 229.348 3.806 20 0 BHADRN Cc1ccc(C)c(-c2csc(N3CCC3)n2)c1 ZINC000416398303 386291689 /nfs/dbraw/zinc/29/16/89/386291689.db2.gz AVQWHKMENFDMMV-UHFFFAOYSA-N 0 0 244.363 3.637 20 0 BHADRN CCc1sc(N2CCC2)nc1-c1ccccc1 ZINC000416399335 386293950 /nfs/dbraw/zinc/29/39/50/386293950.db2.gz DFWXMYIHHSCXIG-UHFFFAOYSA-N 0 0 244.363 3.583 20 0 BHADRN CC1(C)CCCc2sc(-c3ccncc3)nc21 ZINC000416399451 386293828 /nfs/dbraw/zinc/29/38/28/386293828.db2.gz DLNVKBUELYYMJC-UHFFFAOYSA-N 0 0 244.363 3.819 20 0 BHADRN COC(C)(C)c1nc2c(s1)CCCC2(C)C ZINC000416399802 386293458 /nfs/dbraw/zinc/29/34/58/386293458.db2.gz FFGUEXOOXSNNFA-UHFFFAOYSA-N 0 0 239.384 3.639 20 0 BHADRN Cc1noc(C)c1-c1nc2c(s1)CCC2(C)C ZINC000416400102 386293452 /nfs/dbraw/zinc/29/34/52/386293452.db2.gz FZZRXLCPWKIMTD-UHFFFAOYSA-N 0 0 248.351 3.639 20 0 BHADRN Cc1sc(C2CCC2)nc1-c1ccco1 ZINC000416400393 386293282 /nfs/dbraw/zinc/29/32/82/386293282.db2.gz GUWYMBVWXKRNRY-UHFFFAOYSA-N 0 0 219.309 3.979 20 0 BHADRN CC1(C)CCc2sc(-c3ccoc3)nc21 ZINC000416401452 386294030 /nfs/dbraw/zinc/29/40/30/386294030.db2.gz IVSCVZOROWWSIA-UHFFFAOYSA-N 0 0 219.309 3.627 20 0 BHADRN Cc1ccc(-c2csc(N3CCC3)n2)c(C)c1 ZINC000416401471 386293159 /nfs/dbraw/zinc/29/31/59/386293159.db2.gz IYKCXSKDKRYXKS-UHFFFAOYSA-N 0 0 244.363 3.637 20 0 BHADRN CCc1ccc(-c2csc(N3CCC3)n2)cc1 ZINC000416402554 386296084 /nfs/dbraw/zinc/29/60/84/386296084.db2.gz LFHUNOOYYNFWHP-UHFFFAOYSA-N 0 0 244.363 3.583 20 0 BHADRN CCO[C@H](C)c1nc(-c2ccco2)c(C)s1 ZINC000416402660 386296298 /nfs/dbraw/zinc/29/62/98/386296298.db2.gz LYBOORZJJQFWJY-MRVPVSSYSA-N 0 0 237.324 3.809 20 0 BHADRN CCO[C@@H](C)c1nc(-c2ccco2)c(C)s1 ZINC000416402664 386296746 /nfs/dbraw/zinc/29/67/46/386296746.db2.gz LYBOORZJJQFWJY-QMMMGPOBSA-N 0 0 237.324 3.809 20 0 BHADRN Cc1sc(CC2CC2)nc1-c1ccco1 ZINC000416403714 386296056 /nfs/dbraw/zinc/29/60/56/386296056.db2.gz OCNHSYWMZBLAEM-UHFFFAOYSA-N 0 0 219.309 3.664 20 0 BHADRN CCO[C@H](C)c1nc2c(s1)CCCC2(C)C ZINC000416403938 191740474 /nfs/dbraw/zinc/74/04/74/191740474.db2.gz PBSKXBJUMXEQIW-SECBINFHSA-N 0 0 239.384 3.855 20 0 BHADRN CCO[C@@H](C)c1nc2c(s1)CCCC2(C)C ZINC000416403939 386296223 /nfs/dbraw/zinc/29/62/23/386296223.db2.gz PBSKXBJUMXEQIW-VIFPVBQESA-N 0 0 239.384 3.855 20 0 BHADRN CC1(C)CCCc2sc([C@H]3CCCO3)nc21 ZINC000416405427 386295844 /nfs/dbraw/zinc/29/58/44/386295844.db2.gz TUIRLMWIEZDOPE-SECBINFHSA-N 0 0 237.368 3.609 20 0 BHADRN CC1(C)CCCc2sc([C@@H]3CCCO3)nc21 ZINC000416405428 191740317 /nfs/dbraw/zinc/74/03/17/191740317.db2.gz TUIRLMWIEZDOPE-VIFPVBQESA-N 0 0 237.368 3.609 20 0 BHADRN c1sc(N2CCC2)nc1C1CCCCCC1 ZINC000416405757 191740343 /nfs/dbraw/zinc/74/03/43/191740343.db2.gz UZSDZTOXHJDFHO-UHFFFAOYSA-N 0 0 236.384 3.791 20 0 BHADRN CC1(C)CCCc2sc(-c3ccccn3)nc21 ZINC000416405811 191740534 /nfs/dbraw/zinc/74/05/34/191740534.db2.gz VAOJFYGQYNWIPJ-UHFFFAOYSA-N 0 0 244.363 3.819 20 0 BHADRN CC1(C)CCCc2sc(CC(F)(F)F)nc21 ZINC000416405901 386295931 /nfs/dbraw/zinc/29/59/31/386295931.db2.gz VRSFFHQCLVJNNE-UHFFFAOYSA-N 0 0 249.301 3.862 20 0 BHADRN COC[C@@H](C)c1nc2c(s1)CCCC2(C)C ZINC000416406237 191740440 /nfs/dbraw/zinc/74/04/40/191740440.db2.gz XBBVROOENFCNIM-SECBINFHSA-N 0 0 239.384 3.507 20 0 BHADRN COC[C@H](C)c1nc2c(s1)CCCC2(C)C ZINC000416406238 386295234 /nfs/dbraw/zinc/29/52/34/386295234.db2.gz XBBVROOENFCNIM-VIFPVBQESA-N 0 0 239.384 3.507 20 0 BHADRN CO[C@H](C)c1nc(CCc2ccccc2)cs1 ZINC000416406630 386296324 /nfs/dbraw/zinc/29/63/24/386296324.db2.gz YTVLFKMIBXBVON-LLVKDONJSA-N 0 0 247.363 3.636 20 0 BHADRN CO[C@@H](C)c1nc(CCc2ccccc2)cs1 ZINC000416406631 191740841 /nfs/dbraw/zinc/74/08/41/191740841.db2.gz YTVLFKMIBXBVON-NSHDSACASA-N 0 0 247.363 3.636 20 0 BHADRN Cc1sc(N2CCC2)nc1C1CCCCC1 ZINC000416406666 386296527 /nfs/dbraw/zinc/29/65/27/386296527.db2.gz ZDGQOGUXNXOUNL-UHFFFAOYSA-N 0 0 236.384 3.709 20 0 BHADRN Cc1ccc(-c2csc(N3CCC3)n2)cc1C ZINC000416406786 386295179 /nfs/dbraw/zinc/29/51/79/386295179.db2.gz ZYYLZLDYRWFMMS-UHFFFAOYSA-N 0 0 244.363 3.637 20 0 BHADRN CC1(C)C[C@@H]1c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000416409650 386297894 /nfs/dbraw/zinc/29/78/94/386297894.db2.gz CAVBYTCWFBXWHR-SECBINFHSA-N 0 0 248.713 3.502 20 0 BHADRN CC1(C)C[C@H]1c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000416409651 386297738 /nfs/dbraw/zinc/29/77/38/386297738.db2.gz CAVBYTCWFBXWHR-VIFPVBQESA-N 0 0 248.713 3.502 20 0 BHADRN Cc1sc2[nH]c([C@H]3CC3(C)C)nc(=O)c2c1C ZINC000416412120 386299303 /nfs/dbraw/zinc/29/93/03/386299303.db2.gz LUGWOQZEYUECTF-MRVPVSSYSA-N 0 0 248.351 3.527 20 0 BHADRN Cc1sc2[nH]c([C@@H]3CC3(C)C)nc(=O)c2c1C ZINC000416412121 191740600 /nfs/dbraw/zinc/74/06/00/191740600.db2.gz LUGWOQZEYUECTF-QMMMGPOBSA-N 0 0 248.351 3.527 20 0 BHADRN CC1(C)C[C@@H]1c1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000416417266 386298068 /nfs/dbraw/zinc/29/80/68/386298068.db2.gz XLRDGBKKKQXOQX-SECBINFHSA-N 0 0 248.713 3.502 20 0 BHADRN CC1(C)C[C@H]1c1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000416417270 386298575 /nfs/dbraw/zinc/29/85/75/386298575.db2.gz XLRDGBKKKQXOQX-VIFPVBQESA-N 0 0 248.713 3.502 20 0 BHADRN Cc1ccccc1NC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000416719431 386364654 /nfs/dbraw/zinc/36/46/54/386364654.db2.gz DFLNUWQSMPJEHD-AVGNSLFASA-N 0 0 246.354 3.503 20 0 BHADRN Cc1ccccc1NC(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000416719438 386363955 /nfs/dbraw/zinc/36/39/55/386363955.db2.gz DFLNUWQSMPJEHD-RWMBFGLXSA-N 0 0 246.354 3.503 20 0 BHADRN Cc1ccccc1NC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000416719439 386364798 /nfs/dbraw/zinc/36/47/98/386364798.db2.gz DFLNUWQSMPJEHD-XQQFMLRXSA-N 0 0 246.354 3.503 20 0 BHADRN Cc1ccccc1NC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000416719441 386364753 /nfs/dbraw/zinc/36/47/53/386364753.db2.gz DFLNUWQSMPJEHD-YNEHKIRRSA-N 0 0 246.354 3.503 20 0 BHADRN Cc1cccc(NC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1 ZINC000416726160 386366976 /nfs/dbraw/zinc/36/69/76/386366976.db2.gz KFJONKGEAHTFKP-AVGNSLFASA-N 0 0 246.354 3.503 20 0 BHADRN Cc1cccc(NC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1 ZINC000416726162 386367598 /nfs/dbraw/zinc/36/75/98/386367598.db2.gz KFJONKGEAHTFKP-RWMBFGLXSA-N 0 0 246.354 3.503 20 0 BHADRN Cc1cccc(NC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1 ZINC000416726163 191755455 /nfs/dbraw/zinc/75/54/55/191755455.db2.gz KFJONKGEAHTFKP-XQQFMLRXSA-N 0 0 246.354 3.503 20 0 BHADRN Cc1cccc(NC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1 ZINC000416726164 386367005 /nfs/dbraw/zinc/36/70/05/386367005.db2.gz KFJONKGEAHTFKP-YNEHKIRRSA-N 0 0 246.354 3.503 20 0 BHADRN Cc1ccc(NC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)cc1 ZINC000416734347 386379041 /nfs/dbraw/zinc/37/90/41/386379041.db2.gz QQHZURQJURRDAY-AVGNSLFASA-N 0 0 246.354 3.503 20 0 BHADRN Cc1ccc(NC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)cc1 ZINC000416734352 386378052 /nfs/dbraw/zinc/37/80/52/386378052.db2.gz QQHZURQJURRDAY-RWMBFGLXSA-N 0 0 246.354 3.503 20 0 BHADRN Cc1ccc(NC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)cc1 ZINC000416734357 386378130 /nfs/dbraw/zinc/37/81/30/386378130.db2.gz QQHZURQJURRDAY-XQQFMLRXSA-N 0 0 246.354 3.503 20 0 BHADRN Cc1ccc(NC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)cc1 ZINC000416734361 191758425 /nfs/dbraw/zinc/75/84/25/191758425.db2.gz QQHZURQJURRDAY-YNEHKIRRSA-N 0 0 246.354 3.503 20 0 BHADRN CC[C@H](CSc1ccc(C)cc1)OC ZINC000416882296 386408612 /nfs/dbraw/zinc/40/86/12/386408612.db2.gz IAKJIFJZKGTPGJ-LLVKDONJSA-N 0 0 210.342 3.512 20 0 BHADRN CC[C@@H](CSc1ccc(C)cc1)OC ZINC000416882299 386408223 /nfs/dbraw/zinc/40/82/23/386408223.db2.gz IAKJIFJZKGTPGJ-NSHDSACASA-N 0 0 210.342 3.512 20 0 BHADRN CC[C@@H](COc1cccc(C(F)(F)F)c1)OC ZINC000416883475 386409159 /nfs/dbraw/zinc/40/91/59/386409159.db2.gz JNCBEPPGGFIDIS-JTQLQIEISA-N 0 0 248.244 3.509 20 0 BHADRN CC[C@H](COc1cccc(C(F)(F)F)c1)OC ZINC000416883484 386408190 /nfs/dbraw/zinc/40/81/90/386408190.db2.gz JNCBEPPGGFIDIS-SNVBAGLBSA-N 0 0 248.244 3.509 20 0 BHADRN CC[C@H](CSc1ccc2ccccc2n1)OC ZINC000416883808 191767759 /nfs/dbraw/zinc/76/77/59/191767759.db2.gz JVFKAUGVMCYFIH-GFCCVEGCSA-N 0 0 247.363 3.752 20 0 BHADRN CC[C@@H](CSc1ccc2ccccc2n1)OC ZINC000416883811 386408595 /nfs/dbraw/zinc/40/85/95/386408595.db2.gz JVFKAUGVMCYFIH-LBPRGKRZSA-N 0 0 247.363 3.752 20 0 BHADRN CC[C@H](CSCc1ccccc1C)OC ZINC000416884114 386407888 /nfs/dbraw/zinc/40/78/88/386407888.db2.gz CCNRWQNINABUSG-CYBMUJFWSA-N 0 0 224.369 3.653 20 0 BHADRN CC[C@@H](CSCc1ccccc1C)OC ZINC000416884120 386407619 /nfs/dbraw/zinc/40/76/19/386407619.db2.gz CCNRWQNINABUSG-ZDUSSCGKSA-N 0 0 224.369 3.653 20 0 BHADRN c1ccc(SCCOCC2CCC2)cc1 ZINC000416885627 386403541 /nfs/dbraw/zinc/40/35/41/386403541.db2.gz MRVVMWSKBTXZPY-UHFFFAOYSA-N 0 0 222.353 3.595 20 0 BHADRN Clc1ccccc1OCCOCC1CCC1 ZINC000416887996 386402893 /nfs/dbraw/zinc/40/28/93/386402893.db2.gz PJXKHRDOSZYUDH-UHFFFAOYSA-N 0 0 240.730 3.536 20 0 BHADRN CO[C@@H](CSCc1ccco1)CC(C)C ZINC000416894677 386404212 /nfs/dbraw/zinc/40/42/12/386404212.db2.gz ZFTYZMFKYYYJJC-GFCCVEGCSA-N 0 0 228.357 3.574 20 0 BHADRN CO[C@H](CSCc1ccco1)CC(C)C ZINC000416894678 191766310 /nfs/dbraw/zinc/76/63/10/191766310.db2.gz ZFTYZMFKYYYJJC-LBPRGKRZSA-N 0 0 228.357 3.574 20 0 BHADRN CC[C@H](COc1c(Cl)cccc1Cl)OC ZINC000416896566 386410575 /nfs/dbraw/zinc/41/05/75/386410575.db2.gz WBRLHRXHEUNUHV-MRVPVSSYSA-N 0 0 249.137 3.797 20 0 BHADRN CC[C@@H](COc1c(Cl)cccc1Cl)OC ZINC000416896571 386411539 /nfs/dbraw/zinc/41/15/39/386411539.db2.gz WBRLHRXHEUNUHV-QMMMGPOBSA-N 0 0 249.137 3.797 20 0 BHADRN CO[C@@H](CSc1cccc(O)c1)CC(C)C ZINC000416901772 386410594 /nfs/dbraw/zinc/41/05/94/386410594.db2.gz CCEVGUABSIHMSQ-GFCCVEGCSA-N 0 0 240.368 3.545 20 0 BHADRN CO[C@H](CSc1cccc(O)c1)CC(C)C ZINC000416901774 386411211 /nfs/dbraw/zinc/41/12/11/386411211.db2.gz CCEVGUABSIHMSQ-LBPRGKRZSA-N 0 0 240.368 3.545 20 0 BHADRN CO[C@@H](CSc1ccc(O)cc1)CC(C)C ZINC000416902294 386411305 /nfs/dbraw/zinc/41/13/05/386411305.db2.gz BNVXSCSUMVRWRP-GFCCVEGCSA-N 0 0 240.368 3.545 20 0 BHADRN CO[C@H](CSc1ccc(O)cc1)CC(C)C ZINC000416902296 386411223 /nfs/dbraw/zinc/41/12/23/386411223.db2.gz BNVXSCSUMVRWRP-LBPRGKRZSA-N 0 0 240.368 3.545 20 0 BHADRN CC[C@H](COc1ccccc1C(F)(F)F)OC ZINC000416902326 386410965 /nfs/dbraw/zinc/41/09/65/386410965.db2.gz LAUFNWJSABHKCN-SECBINFHSA-N 0 0 248.244 3.509 20 0 BHADRN CC[C@@H](COc1ccccc1C(F)(F)F)OC ZINC000416902328 386411424 /nfs/dbraw/zinc/41/14/24/386411424.db2.gz LAUFNWJSABHKCN-VIFPVBQESA-N 0 0 248.244 3.509 20 0 BHADRN CO[C@@H](CSCCC(F)(F)F)CC(C)C ZINC000416904628 191768354 /nfs/dbraw/zinc/76/83/54/191768354.db2.gz HXDFMUWWGPYMGP-SECBINFHSA-N 0 0 244.322 3.733 20 0 BHADRN CO[C@H](CSCCC(F)(F)F)CC(C)C ZINC000416904631 191768409 /nfs/dbraw/zinc/76/84/09/191768409.db2.gz HXDFMUWWGPYMGP-VIFPVBQESA-N 0 0 244.322 3.733 20 0 BHADRN CO[C@@H](CSc1ccccc1O)CC(C)C ZINC000416904707 191768903 /nfs/dbraw/zinc/76/89/03/191768903.db2.gz FNDHAEREKSLLBS-LLVKDONJSA-N 0 0 240.368 3.545 20 0 BHADRN CO[C@H](CSc1ccccc1O)CC(C)C ZINC000416904708 191768656 /nfs/dbraw/zinc/76/86/56/191768656.db2.gz FNDHAEREKSLLBS-NSHDSACASA-N 0 0 240.368 3.545 20 0 BHADRN CC[C@H](CSc1cccc2cccnc21)OC ZINC000416905589 191768140 /nfs/dbraw/zinc/76/81/40/191768140.db2.gz QVVBWYBFBIFCPE-GFCCVEGCSA-N 0 0 247.363 3.752 20 0 BHADRN CC[C@@H](CSc1cccc2cccnc21)OC ZINC000416905591 386413482 /nfs/dbraw/zinc/41/34/82/386413482.db2.gz 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3.543 20 0 BHADRN CC[C@H](CSc1cccc(C)c1)OC ZINC000416924990 386417980 /nfs/dbraw/zinc/41/79/80/386417980.db2.gz XMAQLFGHPUNPDK-LLVKDONJSA-N 0 0 210.342 3.512 20 0 BHADRN CC[C@@H](CSc1cccc(C)c1)OC ZINC000416924991 386418471 /nfs/dbraw/zinc/41/84/71/386418471.db2.gz XMAQLFGHPUNPDK-NSHDSACASA-N 0 0 210.342 3.512 20 0 BHADRN c1csc(SCCOCC2CCC2)c1 ZINC000416926158 191770842 /nfs/dbraw/zinc/77/08/42/191770842.db2.gz YQYWKNHZYVVDNO-UHFFFAOYSA-N 0 0 228.382 3.657 20 0 BHADRN CO[C@@H](CSc1ncccc1C)CC(C)C ZINC000416926844 386419338 /nfs/dbraw/zinc/41/93/38/386419338.db2.gz ZSQSUPTXVVUBQP-GFCCVEGCSA-N 0 0 239.384 3.543 20 0 BHADRN CO[C@H](CSc1ncccc1C)CC(C)C ZINC000416926845 191770034 /nfs/dbraw/zinc/77/00/34/191770034.db2.gz ZSQSUPTXVVUBQP-LBPRGKRZSA-N 0 0 239.384 3.543 20 0 BHADRN CC(C)[C@@H](C)SCCOCC1CCC1 ZINC000416927941 191770319 /nfs/dbraw/zinc/77/03/19/191770319.db2.gz TYTUYFMCCHERBP-LLVKDONJSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)[C@H](C)SCCOCC1CCC1 ZINC000416927942 386419958 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239.384 3.554 20 0 BHADRN CSc1cc(C)ccc1NCCCCF ZINC000417057856 191774362 /nfs/dbraw/zinc/77/43/62/191774362.db2.gz RDCVZSZSICTYSQ-UHFFFAOYSA-N 0 0 227.348 3.879 20 0 BHADRN CSc1cc(C)ccc1NCc1ncc(C)o1 ZINC000417058718 386441618 /nfs/dbraw/zinc/44/16/18/386441618.db2.gz URLMALLREJVUPR-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN COCCCCNc1ccc(C)cc1SC ZINC000417060548 386441274 /nfs/dbraw/zinc/44/12/74/386441274.db2.gz XPPPFEUZOLWKRU-UHFFFAOYSA-N 0 0 239.384 3.555 20 0 BHADRN Cc1c(F)c(F)ccc1NCC1CC(F)(F)C1 ZINC000417065011 386444132 /nfs/dbraw/zinc/44/41/32/386444132.db2.gz AYDLBNYATNVGMU-UHFFFAOYSA-N 0 0 247.235 3.730 20 0 BHADRN CC[C@@H](F)CNc1c(OC)cccc1SC ZINC000417065750 386445524 /nfs/dbraw/zinc/44/55/24/386445524.db2.gz BKXANLPRWLWVRC-SECBINFHSA-N 0 0 243.347 3.577 20 0 BHADRN CC[C@H](F)CNc1c(OC)cccc1SC ZINC000417065751 386445353 /nfs/dbraw/zinc/44/53/53/386445353.db2.gz BKXANLPRWLWVRC-VIFPVBQESA-N 0 0 243.347 3.577 20 0 BHADRN COc1cccc(SC)c1NCCC1CC1 ZINC000417070457 386444493 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3.565 20 0 BHADRN CCCCCNc1cccc([C@H](C)C(=O)OC)c1 ZINC000417084116 386452547 /nfs/dbraw/zinc/45/25/47/386452547.db2.gz UZZLLHOPQCRPHH-LBPRGKRZSA-N 0 0 249.354 3.565 20 0 BHADRN C/C=C\C[S@](=O)[C@H](C)c1ccc2c(c1)CCC2 ZINC000417143984 386456013 /nfs/dbraw/zinc/45/60/13/386456013.db2.gz UQLKJHYLVSAYNU-HFPNXOEGSA-N 0 0 248.391 3.561 20 0 BHADRN C/C=C/C[S@](=O)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000417144006 386455366 /nfs/dbraw/zinc/45/53/66/386455366.db2.gz UQLKJHYLVSAYNU-HISRAMJSSA-N 0 0 248.391 3.561 20 0 BHADRN C/C=C/C[S@](=O)[C@H](C)c1ccc2c(c1)CCC2 ZINC000417144008 386455750 /nfs/dbraw/zinc/45/57/50/386455750.db2.gz UQLKJHYLVSAYNU-QSBLFJKKSA-N 0 0 248.391 3.561 20 0 BHADRN C/C=C\C[S@](=O)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000417144010 191778681 /nfs/dbraw/zinc/77/86/81/191778681.db2.gz UQLKJHYLVSAYNU-WPMBTZHJSA-N 0 0 248.391 3.561 20 0 BHADRN C[C@@H](c1nc(-c2cccs2)no1)C1CCC1 ZINC000417216385 398211113 /nfs/dbraw/zinc/21/11/13/398211113.db2.gz BNBPZYGQSMCGED-MRVPVSSYSA-N 0 0 234.324 3.702 20 0 BHADRN C[C@H](c1nc(-c2cccs2)no1)C1CCC1 ZINC000417216386 398211162 /nfs/dbraw/zinc/21/11/62/398211162.db2.gz BNBPZYGQSMCGED-QMMMGPOBSA-N 0 0 234.324 3.702 20 0 BHADRN C[C@@H](c1nc(-c2ccc(F)cc2)no1)C1CCC1 ZINC000417219658 398211272 /nfs/dbraw/zinc/21/12/72/398211272.db2.gz JPSNHOGDMXXVRE-SECBINFHSA-N 0 0 246.285 3.779 20 0 BHADRN C[C@H](c1nc(-c2ccc(F)cc2)no1)C1CCC1 ZINC000417219659 398211195 /nfs/dbraw/zinc/21/11/95/398211195.db2.gz JPSNHOGDMXXVRE-VIFPVBQESA-N 0 0 246.285 3.779 20 0 BHADRN C[C@@H](c1nc(Cc2ccccc2)no1)C1CCC1 ZINC000417227673 386464273 /nfs/dbraw/zinc/46/42/73/386464273.db2.gz BRLRMGQRKULPKL-LLVKDONJSA-N 0 0 242.322 3.564 20 0 BHADRN C[C@H](c1nc(Cc2ccccc2)no1)C1CCC1 ZINC000417227676 386464100 /nfs/dbraw/zinc/46/41/00/386464100.db2.gz BRLRMGQRKULPKL-NSHDSACASA-N 0 0 242.322 3.564 20 0 BHADRN C[C@@H](c1nc(-c2ccsc2)no1)C1CCC1 ZINC000417228298 386464858 /nfs/dbraw/zinc/46/48/58/386464858.db2.gz FHSLXBJHIMKWJE-MRVPVSSYSA-N 0 0 234.324 3.702 20 0 BHADRN 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Cc1ccc(C)c(OCc2cnccc2C)c1 ZINC000418794185 192067708 /nfs/dbraw/zinc/06/77/08/192067708.db2.gz PFAXLIZKDLCGHO-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN Cc1ccc(OCc2cnccc2C)cc1C ZINC000418795162 192067636 /nfs/dbraw/zinc/06/76/36/192067636.db2.gz QCJJSLJIHYCLTP-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN Cc1ccc(OCc2cnccc2C)c(C)c1 ZINC000418798285 192067503 /nfs/dbraw/zinc/06/75/03/192067503.db2.gz APOOEULXEPCONV-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN Cc1ccccc1OCc1cc(C(C)(C)C)on1 ZINC000418798450 192067933 /nfs/dbraw/zinc/06/79/33/192067933.db2.gz SPILOBNSGZCNFV-UHFFFAOYSA-N 0 0 245.322 3.860 20 0 BHADRN CC[C@@H](COc1ccc2ccccc2c1)OC ZINC000418798502 192067510 /nfs/dbraw/zinc/06/75/10/192067510.db2.gz SWJSOTLLSTXWFZ-AWEZNQCLSA-N 0 0 230.307 3.644 20 0 BHADRN CC[C@H](COc1ccc2ccccc2c1)OC ZINC000418798503 192067726 /nfs/dbraw/zinc/06/77/26/192067726.db2.gz SWJSOTLLSTXWFZ-CQSZACIVSA-N 0 0 230.307 3.644 20 0 BHADRN Cc1ccncc1COc1c(C)cccc1C ZINC000418799222 192069086 /nfs/dbraw/zinc/06/90/86/192069086.db2.gz UDQGDKQYBXDWDG-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN COc1ccc(OC[C@H]2CCC(F)(F)C2)cc1 ZINC000418800293 387578068 /nfs/dbraw/zinc/57/80/68/387578068.db2.gz UXQNHUFCWBUBFI-JTQLQIEISA-N 0 0 242.265 3.509 20 0 BHADRN COc1ccc(OC[C@@H]2CCC(F)(F)C2)cc1 ZINC000418800294 200842645 /nfs/dbraw/zinc/84/26/45/200842645.db2.gz UXQNHUFCWBUBFI-SNVBAGLBSA-N 0 0 242.265 3.509 20 0 BHADRN CC(C)(C)OC1CC(Oc2ccc(F)cc2)C1 ZINC000418801009 192069481 /nfs/dbraw/zinc/06/94/81/192069481.db2.gz VCYKGRZIXOGIDI-UHFFFAOYSA-N 0 0 238.302 3.551 20 0 BHADRN Cc1cccc(OCc2cc(C(C)(C)C)on2)c1 ZINC000418801648 192068226 /nfs/dbraw/zinc/06/82/26/192068226.db2.gz VOCOTGAPOAUIEA-UHFFFAOYSA-N 0 0 245.322 3.860 20 0 BHADRN c1ccc2cc(OCC[C@H]3CCOC3)ccc2c1 ZINC000418803495 387582620 /nfs/dbraw/zinc/58/26/20/387582620.db2.gz WJVSGRDMJUQVNS-CYBMUJFWSA-N 0 0 242.318 3.645 20 0 BHADRN c1ccc2cc(OCC[C@@H]3CCOC3)ccc2c1 ZINC000418803505 387582048 /nfs/dbraw/zinc/58/20/48/387582048.db2.gz WJVSGRDMJUQVNS-ZDUSSCGKSA-N 0 0 242.318 3.645 20 0 BHADRN Cc1ccc(C(C)C)c(OCC[C@@H]2CCOC2)c1 ZINC000418803506 387582590 /nfs/dbraw/zinc/58/25/90/387582590.db2.gz WKBYENIEGUWCQV-AWEZNQCLSA-N 0 0 248.366 3.924 20 0 BHADRN Cc1ccc(C(C)C)c(OCC[C@H]2CCOC2)c1 ZINC000418803517 387581828 /nfs/dbraw/zinc/58/18/28/387581828.db2.gz WKBYENIEGUWCQV-CQSZACIVSA-N 0 0 248.366 3.924 20 0 BHADRN CC(C)(C)OC1CC(Oc2ccccc2F)C1 ZINC000418803577 200842811 /nfs/dbraw/zinc/84/28/11/200842811.db2.gz WPRPNFAIRSOJOW-UHFFFAOYSA-N 0 0 238.302 3.551 20 0 BHADRN O=c1c2ccccc2ccn1CC1=CCCCC1 ZINC000418804470 192069698 /nfs/dbraw/zinc/06/96/98/192069698.db2.gz GDXLWKJUHFYKTD-UHFFFAOYSA-N 0 0 239.318 3.502 20 0 BHADRN COc1ccc(OC[C@@H]2CCCC2(F)F)cc1 ZINC000418804562 192069967 /nfs/dbraw/zinc/06/99/67/192069967.db2.gz XFESHPRRKLPBAQ-JTQLQIEISA-N 0 0 242.265 3.509 20 0 BHADRN COc1ccc(OC[C@H]2CCCC2(F)F)cc1 ZINC000418804563 192069711 /nfs/dbraw/zinc/06/97/11/192069711.db2.gz XFESHPRRKLPBAQ-SNVBAGLBSA-N 0 0 242.265 3.509 20 0 BHADRN CC(=O)Nc1cccc(OCC2=CCCCC2)c1 ZINC000418805410 387592596 /nfs/dbraw/zinc/59/25/96/387592596.db2.gz NGDPXUVFRMJBRS-UHFFFAOYSA-N 0 0 245.322 3.524 20 0 BHADRN Cc1ccc(OCc2nnc(C(C)C)s2)cc1 ZINC000418807948 387602961 /nfs/dbraw/zinc/60/29/61/387602961.db2.gz ZRYZUYRVGFLRSW-UHFFFAOYSA-N 0 0 248.351 3.549 20 0 BHADRN Cc1ccccc1OCc1nnc(C(C)C)s1 ZINC000418807976 387603824 /nfs/dbraw/zinc/60/38/24/387603824.db2.gz ZVNWHKUKAUYYTO-UHFFFAOYSA-N 0 0 248.351 3.549 20 0 BHADRN CC(C)C[C@@H](C)Oc1ccc(-c2nnco2)cc1 ZINC000418809355 192070487 /nfs/dbraw/zinc/07/04/87/192070487.db2.gz SKKYSGVVSKNLSD-LLVKDONJSA-N 0 0 246.310 3.550 20 0 BHADRN CC(C)C[C@H](C)Oc1ccc(-c2nnco2)cc1 ZINC000418809356 192070570 /nfs/dbraw/zinc/07/05/70/192070570.db2.gz SKKYSGVVSKNLSD-NSHDSACASA-N 0 0 246.310 3.550 20 0 BHADRN Cc1ccncc1COc1cccc(C)c1C ZINC000418810304 192070549 /nfs/dbraw/zinc/07/05/49/192070549.db2.gz HFGNPNAIYCRLSA-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN Cc1cccc(OCCC(C)(F)F)c1C ZINC000418811637 192071241 /nfs/dbraw/zinc/07/12/41/192071241.db2.gz HWCGFCOGLMHZCD-UHFFFAOYSA-N 0 0 214.255 3.728 20 0 BHADRN Cc1cc(C)c(C)c(OCCc2cscn2)c1 ZINC000418813563 192073069 /nfs/dbraw/zinc/07/30/69/192073069.db2.gz YLPLSISGVFKWKP-UHFFFAOYSA-N 0 0 247.363 3.690 20 0 BHADRN Cc1noc(C)c1CS[C@@H]1CC[C@H](C)C1 ZINC000418814430 192073194 /nfs/dbraw/zinc/07/31/94/192073194.db2.gz GOTZXZRQTVWDKB-GZMMTYOYSA-N 0 0 225.357 3.713 20 0 BHADRN CCCOc1ccccc1OCCC(C)(F)F ZINC000418814605 192073129 /nfs/dbraw/zinc/07/31/29/192073129.db2.gz DLZQXGHJBDHGAI-UHFFFAOYSA-N 0 0 244.281 3.900 20 0 BHADRN Cc1noc(C)c1CS[C@H]1CC[C@@H](C)C1 ZINC000418814646 192072690 /nfs/dbraw/zinc/07/26/90/192072690.db2.gz GOTZXZRQTVWDKB-KCJUWKMLSA-N 0 0 225.357 3.713 20 0 BHADRN Cc1noc(C)c1CS[C@H]1CC[C@H](C)C1 ZINC000418814647 192072894 /nfs/dbraw/zinc/07/28/94/192072894.db2.gz GOTZXZRQTVWDKB-KWQFWETISA-N 0 0 225.357 3.713 20 0 BHADRN Cc1noc(C)c1CS[C@@H]1CC[C@@H](C)C1 ZINC000418814648 192072627 /nfs/dbraw/zinc/07/26/27/192072627.db2.gz GOTZXZRQTVWDKB-LDYMZIIASA-N 0 0 225.357 3.713 20 0 BHADRN Cc1noc(C)c1CSCC1CC(F)(F)C1 ZINC000418814953 192073097 /nfs/dbraw/zinc/07/30/97/192073097.db2.gz HPXLYBGZWAHVEJ-UHFFFAOYSA-N 0 0 247.310 3.570 20 0 BHADRN CC(C)c1cccc(OCC[C@H]2CCOC2)c1 ZINC000418817756 387636640 /nfs/dbraw/zinc/63/66/40/387636640.db2.gz HSEJFUFPKDJVAS-CYBMUJFWSA-N 0 0 234.339 3.615 20 0 BHADRN CC(C)c1cccc(OCC[C@@H]2CCOC2)c1 ZINC000418817757 323402329 /nfs/dbraw/zinc/40/23/29/323402329.db2.gz HSEJFUFPKDJVAS-ZDUSSCGKSA-N 0 0 234.339 3.615 20 0 BHADRN CSc1ccc(OCCC(C)(F)F)cc1 ZINC000418817829 387637277 /nfs/dbraw/zinc/63/72/77/387637277.db2.gz HZLLYBANVFCXFM-UHFFFAOYSA-N 0 0 232.295 3.833 20 0 BHADRN CC(C)c1ccc(OCCc2cscn2)cc1 ZINC000418817864 323402360 /nfs/dbraw/zinc/40/23/60/323402360.db2.gz IFDAMZWMDJQLNZ-UHFFFAOYSA-N 0 0 247.363 3.888 20 0 BHADRN CSc1ccc(OCC2CC(F)(F)C2)cc1 ZINC000418821541 192074101 /nfs/dbraw/zinc/07/41/01/192074101.db2.gz MGSHNXJRDHHILV-UHFFFAOYSA-N 0 0 244.306 3.833 20 0 BHADRN Cc1ccc(OCCC(C)(F)F)c(C)c1 ZINC000418823350 192074137 /nfs/dbraw/zinc/07/41/37/192074137.db2.gz NNEQOWCNCZYJLC-UHFFFAOYSA-N 0 0 214.255 3.728 20 0 BHADRN CC(C)c1cccc(OCCc2cscn2)c1 ZINC000418828813 192075067 /nfs/dbraw/zinc/07/50/67/192075067.db2.gz RZSTXHYCCMSUEA-UHFFFAOYSA-N 0 0 247.363 3.888 20 0 BHADRN Cc1nc([C@H](C)Oc2ccc(C(C)C)cc2)no1 ZINC000418829719 192075237 /nfs/dbraw/zinc/07/52/37/192075237.db2.gz TUJZHPJEEGSRIH-JTQLQIEISA-N 0 0 246.310 3.641 20 0 BHADRN Cc1nc([C@@H](C)Oc2ccc(C(C)C)cc2)no1 ZINC000418829734 192075312 /nfs/dbraw/zinc/07/53/12/192075312.db2.gz TUJZHPJEEGSRIH-SNVBAGLBSA-N 0 0 246.310 3.641 20 0 BHADRN CC(F)(F)CCOc1ccc2ncccc2c1 ZINC000418849033 387783040 /nfs/dbraw/zinc/78/30/40/387783040.db2.gz ADIRAYYRCZIFTN-UHFFFAOYSA-N 0 0 237.249 3.659 20 0 BHADRN FC1(F)CC(COc2ccc3ncccc3c2)C1 ZINC000418853352 192083540 /nfs/dbraw/zinc/08/35/40/192083540.db2.gz JLBOLTGOGNTZQF-UHFFFAOYSA-N 0 0 249.260 3.659 20 0 BHADRN Cc1ccc(OCC2CCC(F)(F)CC2)cn1 ZINC000418855942 192083532 /nfs/dbraw/zinc/08/35/32/192083532.db2.gz NTUCGDYBOHGTSF-UHFFFAOYSA-N 0 0 241.281 3.594 20 0 BHADRN Cc1ccc(OC[C@H]2CCCCC2(F)F)cn1 ZINC000418858419 192084706 /nfs/dbraw/zinc/08/47/06/192084706.db2.gz VXHCKBMJVLDRGK-LLVKDONJSA-N 0 0 241.281 3.594 20 0 BHADRN Cc1ccc(OC[C@@H]2CCCCC2(F)F)cn1 ZINC000418858420 192084383 /nfs/dbraw/zinc/08/43/83/192084383.db2.gz VXHCKBMJVLDRGK-NSHDSACASA-N 0 0 241.281 3.594 20 0 BHADRN CC(F)(F)CCOc1cccc2ncccc21 ZINC000418861183 192084371 /nfs/dbraw/zinc/08/43/71/192084371.db2.gz MTIVAUFXONTYDQ-UHFFFAOYSA-N 0 0 237.249 3.659 20 0 BHADRN CC(F)(F)CCn1ccc(-c2cccs2)n1 ZINC000418861432 192084858 /nfs/dbraw/zinc/08/48/58/192084858.db2.gz FISCERLKMFDAQA-UHFFFAOYSA-N 0 0 242.294 3.657 20 0 BHADRN FC1(F)CC(Cn2ccc(-c3ccccc3)n2)C1 ZINC000418862656 387798381 /nfs/dbraw/zinc/79/83/81/387798381.db2.gz AUKZLULKBIGHTR-UHFFFAOYSA-N 0 0 248.276 3.595 20 0 BHADRN FC1(F)CC(COc2cccc3ncccc32)C1 ZINC000418864943 192087812 /nfs/dbraw/zinc/08/78/12/192087812.db2.gz RFMNWYNFJNMCLM-UHFFFAOYSA-N 0 0 249.260 3.659 20 0 BHADRN COC1(COc2ccc(C)cc2Cl)CCC1 ZINC000418881761 192088439 /nfs/dbraw/zinc/08/84/39/192088439.db2.gz IGNHVQVHHBYGST-UHFFFAOYSA-N 0 0 240.730 3.596 20 0 BHADRN CC(F)(F)CCn1ccc(-c2ccccc2)n1 ZINC000418883115 192088429 /nfs/dbraw/zinc/08/84/29/192088429.db2.gz UQGUSOGWEOZBID-UHFFFAOYSA-N 0 0 236.265 3.595 20 0 BHADRN CC(C)Oc1ccc(OCCC(C)(F)F)cc1 ZINC000418887401 219966704 /nfs/dbraw/zinc/96/67/04/219966704.db2.gz DCELCBAIZMZJNG-UHFFFAOYSA-N 0 0 244.281 3.898 20 0 BHADRN COC1(COc2c(C)cccc2Cl)CCC1 ZINC000418892163 192088603 /nfs/dbraw/zinc/08/86/03/192088603.db2.gz NGTNZXZTUXKWOR-UHFFFAOYSA-N 0 0 240.730 3.596 20 0 BHADRN Cc1cc(C)n(Cc2c(C)cccc2Cl)n1 ZINC000418900445 192088619 /nfs/dbraw/zinc/08/86/19/192088619.db2.gz DAMVXNMVEXZVRC-UHFFFAOYSA-N 0 0 234.730 3.510 20 0 BHADRN C1=C(Cn2nc(C3CC3)nc2C2CC2)CCCC1 ZINC000418911610 192090389 /nfs/dbraw/zinc/09/03/89/192090389.db2.gz DDOGIYOBPIEJJX-UHFFFAOYSA-N 0 0 243.354 3.533 20 0 BHADRN Cc1ncccc1OCC1CCC(F)(F)CC1 ZINC000418911829 192090373 /nfs/dbraw/zinc/09/03/73/192090373.db2.gz MAADPUIORPTVLO-UHFFFAOYSA-N 0 0 241.281 3.594 20 0 BHADRN Cc1nc(C2CCC2)nn1CCCC(C)(C)C ZINC000418912264 192090206 /nfs/dbraw/zinc/09/02/06/192090206.db2.gz DTNXXARPZCCVSJ-UHFFFAOYSA-N 0 0 235.375 3.680 20 0 BHADRN CCSc1ccccc1OC[C@@H](CC)OC ZINC000418913481 192090403 /nfs/dbraw/zinc/09/04/03/192090403.db2.gz ACPDYHWVCVAFKK-LLVKDONJSA-N 0 0 240.368 3.602 20 0 BHADRN CCSc1ccccc1OC[C@H](CC)OC ZINC000418913482 192090220 /nfs/dbraw/zinc/09/02/20/192090220.db2.gz ACPDYHWVCVAFKK-NSHDSACASA-N 0 0 240.368 3.602 20 0 BHADRN Cc1nc(C2CCC2)nn1CCCC1CCCC1 ZINC000418914250 192090616 /nfs/dbraw/zinc/09/06/16/192090616.db2.gz HILFWAJRDWYIKV-UHFFFAOYSA-N 0 0 247.386 3.824 20 0 BHADRN Cc1nc(C2CCC2)nn1CCC1=CCCCC1 ZINC000418915298 192091044 /nfs/dbraw/zinc/09/10/44/192091044.db2.gz ILJUKRCATKACJL-UHFFFAOYSA-N 0 0 245.370 3.745 20 0 BHADRN Cc1ncccc1OC[C@H]1CCCCC1(F)F ZINC000418919889 206023221 /nfs/dbraw/zinc/02/32/21/206023221.db2.gz XTLSLIDXZDDALQ-LLVKDONJSA-N 0 0 241.281 3.594 20 0 BHADRN Cc1ncccc1OC[C@@H]1CCCCC1(F)F ZINC000418919890 206023193 /nfs/dbraw/zinc/02/31/93/206023193.db2.gz XTLSLIDXZDDALQ-NSHDSACASA-N 0 0 241.281 3.594 20 0 BHADRN Cc1cc(OCCC(C)(F)F)ccc1F ZINC000418920085 206023188 /nfs/dbraw/zinc/02/31/88/206023188.db2.gz YJYPZQNXZIQIRV-UHFFFAOYSA-N 0 0 218.218 3.558 20 0 BHADRN Cc1nc(C2CCC2)nn1C[C@H]1CCC[C@H](C)C1 ZINC000418924959 200846192 /nfs/dbraw/zinc/84/61/92/200846192.db2.gz PMBKWQWRWVVBEP-AAEUAGOBSA-N 0 0 247.386 3.680 20 0 BHADRN Cc1nc(C2CCC2)nn1C[C@@H]1CCC[C@@H](C)C1 ZINC000418924960 387948495 /nfs/dbraw/zinc/94/84/95/387948495.db2.gz PMBKWQWRWVVBEP-DGCLKSJQSA-N 0 0 247.386 3.680 20 0 BHADRN Cc1nc(C2CCC2)nn1C[C@@H]1CCC[C@H](C)C1 ZINC000418924961 387948655 /nfs/dbraw/zinc/94/86/55/387948655.db2.gz PMBKWQWRWVVBEP-WCQYABFASA-N 0 0 247.386 3.680 20 0 BHADRN Cc1nc(C2CCC2)nn1C[C@H]1CCC[C@@H](C)C1 ZINC000418924962 387947339 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3.688 20 0 BHADRN CSc1ccccc1OCC=C(C)C ZINC000419075278 192099092 /nfs/dbraw/zinc/09/90/92/192099092.db2.gz FQNBCSGVFQNRCA-UHFFFAOYSA-N 0 0 208.326 3.754 20 0 BHADRN Cc1ccc(OCCC(C)(C)O)c2ccccc12 ZINC000419075444 192099236 /nfs/dbraw/zinc/09/92/36/192099236.db2.gz FYFHDDVPVCQRGY-UHFFFAOYSA-N 0 0 244.334 3.688 20 0 BHADRN COC(C)(C)CCOc1ccccc1SC ZINC000419077015 192099131 /nfs/dbraw/zinc/09/91/31/192099131.db2.gz IROFPTARMMEQRT-UHFFFAOYSA-N 0 0 240.368 3.602 20 0 BHADRN CC(C)CCCn1ccc(-c2ccc(F)cn2)n1 ZINC000419077635 192097931 /nfs/dbraw/zinc/09/79/31/192097931.db2.gz XZCXFKMTTAESOP-UHFFFAOYSA-N 0 0 247.317 3.520 20 0 BHADRN Cc1ccc(OCC2(C)COC2)c2ccccc12 ZINC000419078067 192098163 /nfs/dbraw/zinc/09/81/63/192098163.db2.gz KFCGHZJCHHLTJG-UHFFFAOYSA-N 0 0 242.318 3.564 20 0 BHADRN CSc1ccccc1OCCSC(C)C ZINC000419078517 192098055 /nfs/dbraw/zinc/09/80/55/192098055.db2.gz LDFCZUQGCLJQIQ-UHFFFAOYSA-N 0 0 242.409 3.929 20 0 BHADRN CSc1ccccc1OCCOC(C)(C)C ZINC000419078595 192098298 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192130984 /nfs/dbraw/zinc/13/09/84/192130984.db2.gz URWNDCHLBXUAKL-SNVBAGLBSA-N 0 0 246.734 3.501 20 0 BHADRN Cc1ccc(CSCCc2cscn2)cc1 ZINC000419397521 192130915 /nfs/dbraw/zinc/13/09/15/192130915.db2.gz VCBRSAYALBDRAW-UHFFFAOYSA-N 0 0 249.404 3.927 20 0 BHADRN CCC[C@@H](C)SCc1csc(C)n1 ZINC000419400942 192131190 /nfs/dbraw/zinc/13/11/90/192131190.db2.gz MQIBUPUCPRWTRK-MRVPVSSYSA-N 0 0 215.387 3.873 20 0 BHADRN CCC[C@H](C)SCc1csc(C)n1 ZINC000419400943 192131279 /nfs/dbraw/zinc/13/12/79/192131279.db2.gz MQIBUPUCPRWTRK-QMMMGPOBSA-N 0 0 215.387 3.873 20 0 BHADRN C/C=C\CSCc1ccc(COC)cc1 ZINC000419401453 192131180 /nfs/dbraw/zinc/13/11/80/192131180.db2.gz ADELDMUWCSNEJS-ARJAWSKDSA-N 0 0 222.353 3.642 20 0 BHADRN C/C=C/CSCc1ccc(COC)cc1 ZINC000419401454 192131182 /nfs/dbraw/zinc/13/11/82/192131182.db2.gz ADELDMUWCSNEJS-ONEGZZNKSA-N 0 0 222.353 3.642 20 0 BHADRN CC(C)C[C@@H](C)SCCOC(C)C ZINC000419401692 192130800 /nfs/dbraw/zinc/13/08/00/192130800.db2.gz OGCRTUKBBAWGIF-LLVKDONJSA-N 0 0 204.379 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ZINC000419403689 192131427 /nfs/dbraw/zinc/13/14/27/192131427.db2.gz DUEIPJBIOVDRAU-WPRPVWTQSA-N 0 0 227.398 3.873 20 0 BHADRN CC(C)c1nc(CS[C@@H]2CC[C@@H](C)C2)no1 ZINC000419403998 192131306 /nfs/dbraw/zinc/13/13/06/192131306.db2.gz DVMLBJFIMWWUKK-NXEZZACHSA-N 0 0 240.372 3.615 20 0 BHADRN CC(C)c1nc(CS[C@H]2CC[C@H](C)C2)no1 ZINC000419403999 192130826 /nfs/dbraw/zinc/13/08/26/192130826.db2.gz DVMLBJFIMWWUKK-UWVGGRQHSA-N 0 0 240.372 3.615 20 0 BHADRN CC(C)c1nc(CS[C@@H]2CC[C@H](C)C2)no1 ZINC000419404000 192131488 /nfs/dbraw/zinc/13/14/88/192131488.db2.gz DVMLBJFIMWWUKK-VHSXEESVSA-N 0 0 240.372 3.615 20 0 BHADRN CC(C)c1nc(CS[C@H]2CC[C@@H](C)C2)no1 ZINC000419404001 192130919 /nfs/dbraw/zinc/13/09/19/192130919.db2.gz DVMLBJFIMWWUKK-ZJUUUORDSA-N 0 0 240.372 3.615 20 0 BHADRN Cc1nc(CS[C@@H]2CC[C@H](C)C2)cs1 ZINC000419404097 192131256 /nfs/dbraw/zinc/13/12/56/192131256.db2.gz QYCPIIRSTLTHIQ-GZMMTYOYSA-N 0 0 227.398 3.873 20 0 BHADRN Cc1nc(CS[C@H]2CC[C@@H](C)C2)cs1 ZINC000419404098 192131354 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216.390 3.725 20 0 BHADRN COCCCCCS[C@@H]1CC[C@@H](C)C1 ZINC000419406383 192131736 /nfs/dbraw/zinc/13/17/36/192131736.db2.gz IRBHMLCTPTWXCJ-VXGBXAGGSA-N 0 0 216.390 3.725 20 0 BHADRN C[C@@H](S[C@@H]1CCOC1)c1ccc(F)cc1F ZINC000419406491 192132030 /nfs/dbraw/zinc/13/20/30/192132030.db2.gz WZOCXEDHXUXYCC-PSASIEDQSA-N 0 0 244.306 3.548 20 0 BHADRN C[C@@H](S[C@H]1CCOC1)c1ccc(F)cc1F ZINC000419406492 192131841 /nfs/dbraw/zinc/13/18/41/192131841.db2.gz WZOCXEDHXUXYCC-SCZZXKLOSA-N 0 0 244.306 3.548 20 0 BHADRN C[C@H](S[C@@H]1CCOC1)c1ccc(F)cc1F ZINC000419406646 192131908 /nfs/dbraw/zinc/13/19/08/192131908.db2.gz WZOCXEDHXUXYCC-WCBMZHEXSA-N 0 0 244.306 3.548 20 0 BHADRN C[C@H](S[C@H]1CCOC1)c1ccc(F)cc1F ZINC000419406648 192132125 /nfs/dbraw/zinc/13/21/25/192132125.db2.gz WZOCXEDHXUXYCC-WPRPVWTQSA-N 0 0 244.306 3.548 20 0 BHADRN C[C@@H](S[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000419407307 192131734 /nfs/dbraw/zinc/13/17/34/192131734.db2.gz YCSYJASXZHMPFS-BXKDBHETSA-N 0 0 242.771 3.923 20 0 BHADRN 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ZINC000419412781 192132077 /nfs/dbraw/zinc/13/20/77/192132077.db2.gz RITOLYUBNVKGCX-MRVPVSSYSA-N 0 0 215.387 3.873 20 0 BHADRN CCC[C@H](C)SCc1cnc(C)s1 ZINC000419412782 192132055 /nfs/dbraw/zinc/13/20/55/192132055.db2.gz RITOLYUBNVKGCX-QMMMGPOBSA-N 0 0 215.387 3.873 20 0 BHADRN CC(C)C[C@H](C)SCc1noc(C(C)C)n1 ZINC000419412799 192131827 /nfs/dbraw/zinc/13/18/27/192131827.db2.gz RKBUCWXAALYJQY-JTQLQIEISA-N 0 0 242.388 3.861 20 0 BHADRN CC(C)C[C@@H](C)SCc1noc(C(C)C)n1 ZINC000419412800 192131891 /nfs/dbraw/zinc/13/18/91/192131891.db2.gz RKBUCWXAALYJQY-SNVBAGLBSA-N 0 0 242.388 3.861 20 0 BHADRN CC(C)C[C@@H](C)SCc1noc(C2CC2)n1 ZINC000419413329 192132123 /nfs/dbraw/zinc/13/21/23/192132123.db2.gz FEVWHGBDZWMCPM-SECBINFHSA-N 0 0 240.372 3.615 20 0 BHADRN CC(C)C[C@H](C)SCc1noc(C2CC2)n1 ZINC000419413331 192131954 /nfs/dbraw/zinc/13/19/54/192131954.db2.gz FEVWHGBDZWMCPM-VIFPVBQESA-N 0 0 240.372 3.615 20 0 BHADRN Cc1cc(C)c(CS[C@@H]2CCOC2)c(C)c1 ZINC000419413799 192131596 /nfs/dbraw/zinc/13/15/96/192131596.db2.gz LEZLIJZCNUCUTO-CYBMUJFWSA-N 0 0 236.380 3.634 20 0 BHADRN Cc1cc(C)c(CS[C@H]2CCOC2)c(C)c1 ZINC000419413808 192131573 /nfs/dbraw/zinc/13/15/73/192131573.db2.gz LEZLIJZCNUCUTO-ZDUSSCGKSA-N 0 0 236.380 3.634 20 0 BHADRN CCC[C@@H](C)SCc1noc(C(C)C)n1 ZINC000419414703 192131936 /nfs/dbraw/zinc/13/19/36/192131936.db2.gz UHVHMIQASQIDLE-SECBINFHSA-N 0 0 228.361 3.615 20 0 BHADRN CCC[C@H](C)SCc1noc(C(C)C)n1 ZINC000419414705 192131847 /nfs/dbraw/zinc/13/18/47/192131847.db2.gz UHVHMIQASQIDLE-VIFPVBQESA-N 0 0 228.361 3.615 20 0 BHADRN C/C=C\CSCc1cccc(C(C)=O)c1 ZINC000419415140 192131682 /nfs/dbraw/zinc/13/16/82/192131682.db2.gz UVZFOZSFFCXORT-ARJAWSKDSA-N 0 0 220.337 3.699 20 0 BHADRN C/C=C/CSCc1cccc(C(C)=O)c1 ZINC000419415142 192131746 /nfs/dbraw/zinc/13/17/46/192131746.db2.gz UVZFOZSFFCXORT-ONEGZZNKSA-N 0 0 220.337 3.699 20 0 BHADRN C[C@@H]1CC[C@@H](SCCOC(C)(C)C)C1 ZINC000419415924 192131715 /nfs/dbraw/zinc/13/17/15/192131715.db2.gz 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238.400 3.886 20 0 BHADRN CC(C)n1ccc(CS[C@H]2CC[C@@H](C)C2)n1 ZINC000419416473 192132447 /nfs/dbraw/zinc/13/24/47/192132447.db2.gz WBXMADZEWMPBOT-YPMHNXCESA-N 0 0 238.400 3.886 20 0 BHADRN C/C=C\CSCc1ccc(C(C)=O)cc1 ZINC000419416672 192132858 /nfs/dbraw/zinc/13/28/58/192132858.db2.gz WUJNSJAGZUJYMD-ARJAWSKDSA-N 0 0 220.337 3.699 20 0 BHADRN c1cc(CSCCC2=CCCCC2)no1 ZINC000419416957 192132014 /nfs/dbraw/zinc/13/20/14/192132014.db2.gz HGVRATSQBRORQB-UHFFFAOYSA-N 0 0 223.341 3.798 20 0 BHADRN C/C=C/CSCc1ccc(C(C)=O)cc1 ZINC000419417016 192132607 /nfs/dbraw/zinc/13/26/07/192132607.db2.gz WUJNSJAGZUJYMD-ONEGZZNKSA-N 0 0 220.337 3.699 20 0 BHADRN CC(C)SCc1cnc2c(cnn2C(C)C)c1 ZINC000419417431 192132445 /nfs/dbraw/zinc/13/24/45/192132445.db2.gz PXHFHRFGDBSFLO-UHFFFAOYSA-N 0 0 249.383 3.654 20 0 BHADRN COCCCCCS[C@H](C)CC(C)C ZINC000419417928 192132503 /nfs/dbraw/zinc/13/25/03/192132503.db2.gz XUEHJYQFFNJPOC-GFCCVEGCSA-N 0 0 218.406 3.971 20 0 BHADRN COCCCCCS[C@@H](C)CC(C)C ZINC000419417931 192132894 /nfs/dbraw/zinc/13/28/94/192132894.db2.gz XUEHJYQFFNJPOC-LBPRGKRZSA-N 0 0 218.406 3.971 20 0 BHADRN C1=C(CSCCOCC2CC2)CCCC1 ZINC000419418593 192133044 /nfs/dbraw/zinc/13/30/44/192133044.db2.gz ILAKKYCZFMXMQY-UHFFFAOYSA-N 0 0 226.385 3.647 20 0 BHADRN COC[C@@H](C)SCc1ccc(C)cc1C ZINC000419419560 192134327 /nfs/dbraw/zinc/13/43/27/192134327.db2.gz MDCKCANKWOBXAK-GFCCVEGCSA-N 0 0 224.369 3.572 20 0 BHADRN COC[C@H](C)SCc1ccc(C)cc1C ZINC000419419566 192134570 /nfs/dbraw/zinc/13/45/70/192134570.db2.gz MDCKCANKWOBXAK-LBPRGKRZSA-N 0 0 224.369 3.572 20 0 BHADRN Cc1cccc(C)c1CSCCc1cn[nH]c1 ZINC000419420082 192134537 /nfs/dbraw/zinc/13/45/37/192134537.db2.gz JQTMCWZWBRTVOO-UHFFFAOYSA-N 0 0 246.379 3.502 20 0 BHADRN CC(C)SCc1cnc2ccccc2c1 ZINC000419420296 192134379 /nfs/dbraw/zinc/13/43/79/192134379.db2.gz TWXWLDNWFVKBNV-UHFFFAOYSA-N 0 0 217.337 3.876 20 0 BHADRN Cc1ccc(CSCc2ccon2)c(C)c1 ZINC000419421062 192134690 /nfs/dbraw/zinc/13/46/90/192134690.db2.gz KQMCXSGMVDNFOU-UHFFFAOYSA-N 0 0 233.336 3.725 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/nfs/dbraw/zinc/13/47/12/192134712.db2.gz CCQRLLAPKYNNMP-ZETCQYMHSA-N 0 0 236.789 3.670 20 0 BHADRN COC[C@@H](C)SCC/C=C\c1ccccc1 ZINC000419424122 192134372 /nfs/dbraw/zinc/13/43/72/192134372.db2.gz CHJMZGUYMBBCSC-AGEOTTOMSA-N 0 0 236.380 3.858 20 0 BHADRN COC[C@@H](C)SCC/C=C/c1ccccc1 ZINC000419424123 192134476 /nfs/dbraw/zinc/13/44/76/192134476.db2.gz CHJMZGUYMBBCSC-BCRSCGJKSA-N 0 0 236.380 3.858 20 0 BHADRN COC[C@H](C)SCC/C=C\c1ccccc1 ZINC000419424124 192134458 /nfs/dbraw/zinc/13/44/58/192134458.db2.gz CHJMZGUYMBBCSC-HKBVPSITSA-N 0 0 236.380 3.858 20 0 BHADRN COC[C@H](C)SCC/C=C/c1ccccc1 ZINC000419424125 192134277 /nfs/dbraw/zinc/13/42/77/192134277.db2.gz CHJMZGUYMBBCSC-PPOCWRSBSA-N 0 0 236.380 3.858 20 0 BHADRN C1=C(CSCC2CCOCC2)CCCC1 ZINC000419424474 192134554 /nfs/dbraw/zinc/13/45/54/192134554.db2.gz OJXJUCSAIWJPBJ-UHFFFAOYSA-N 0 0 226.385 3.647 20 0 BHADRN COC[C@@H](C)SCC1CCC(F)(F)CC1 ZINC000419424793 192134519 /nfs/dbraw/zinc/13/45/19/192134519.db2.gz UUNHADUZZFSCCM-SECBINFHSA-N 0 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192134613 /nfs/dbraw/zinc/13/46/13/192134613.db2.gz MCUBYTDBIXRSSK-SCZZXKLOSA-N 0 0 227.398 3.873 20 0 BHADRN Cc1csc(CS[C@@H]2CC[C@H](C)C2)n1 ZINC000419425661 192134716 /nfs/dbraw/zinc/13/47/16/192134716.db2.gz MCUBYTDBIXRSSK-WCBMZHEXSA-N 0 0 227.398 3.873 20 0 BHADRN Cc1csc(CS[C@H]2CC[C@H](C)C2)n1 ZINC000419425662 192134462 /nfs/dbraw/zinc/13/44/62/192134462.db2.gz MCUBYTDBIXRSSK-WPRPVWTQSA-N 0 0 227.398 3.873 20 0 BHADRN CC(C)C[C@@H](C)SCCOCC1CC1 ZINC000419425860 192134980 /nfs/dbraw/zinc/13/49/80/192134980.db2.gz PYLDXGSBHRSRCH-LLVKDONJSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)C[C@H](C)SCCOCC1CC1 ZINC000419425861 192134878 /nfs/dbraw/zinc/13/48/78/192134878.db2.gz PYLDXGSBHRSRCH-NSHDSACASA-N 0 0 216.390 3.581 20 0 BHADRN COCC[C@@H](C)SCC1=CCCCC1 ZINC000419427037 192135236 /nfs/dbraw/zinc/13/52/36/192135236.db2.gz OANXQWXWZBXVFI-LLVKDONJSA-N 0 0 214.374 3.645 20 0 BHADRN COCC[C@H](C)SCC1=CCCCC1 ZINC000419427038 192134844 /nfs/dbraw/zinc/13/48/44/192134844.db2.gz 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ZINC000419428368 192135170 /nfs/dbraw/zinc/13/51/70/192135170.db2.gz IMGVTEYTRHDKSZ-LLVKDONJSA-N 0 0 247.363 3.503 20 0 BHADRN COC[C@H](C)SCc1cnc2ccccc2c1 ZINC000419428369 192134832 /nfs/dbraw/zinc/13/48/32/192134832.db2.gz IMGVTEYTRHDKSZ-NSHDSACASA-N 0 0 247.363 3.503 20 0 BHADRN FCCCSCC1CCC(F)(F)CC1 ZINC000419429333 192134774 /nfs/dbraw/zinc/13/47/74/192134774.db2.gz CHERBHWMCKQKNU-UHFFFAOYSA-N 0 0 226.307 3.905 20 0 BHADRN COCC[C@@H](C)S[C@H](C)CC(C)C ZINC000419432094 192134922 /nfs/dbraw/zinc/13/49/22/192134922.db2.gz XPPCPXWZCVVCAM-GHMZBOCLSA-N 0 0 204.379 3.579 20 0 BHADRN COCC[C@@H](C)S[C@@H](C)CC(C)C ZINC000419432095 192135110 /nfs/dbraw/zinc/13/51/10/192135110.db2.gz XPPCPXWZCVVCAM-MNOVXSKESA-N 0 0 204.379 3.579 20 0 BHADRN COCC[C@H](C)S[C@@H](C)CC(C)C ZINC000419432096 192135172 /nfs/dbraw/zinc/13/51/72/192135172.db2.gz XPPCPXWZCVVCAM-QWRGUYRKSA-N 0 0 204.379 3.579 20 0 BHADRN COCC[C@H](C)S[C@H](C)CC(C)C ZINC000419432098 192135176 /nfs/dbraw/zinc/13/51/76/192135176.db2.gz 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CC[C@H](S[C@H]1CCOC1)c1ccc(F)cc1 ZINC000419433583 192134919 /nfs/dbraw/zinc/13/49/19/192134919.db2.gz ZPRQADYAFFLGKV-STQMWFEESA-N 0 0 240.343 3.799 20 0 BHADRN CCOC1CC(SCCc2ccccc2)C1 ZINC000419433777 192134957 /nfs/dbraw/zinc/13/49/57/192134957.db2.gz AEFSJWCCARDSTJ-UHFFFAOYSA-N 0 0 236.380 3.530 20 0 BHADRN CCOCCCSCC1=CCCCC1 ZINC000419434861 192134842 /nfs/dbraw/zinc/13/48/42/192134842.db2.gz KPMJUQVAWYUGSA-UHFFFAOYSA-N 0 0 214.374 3.647 20 0 BHADRN CC(C)c1nnc(CSCC2CCC2)s1 ZINC000419435428 192134776 /nfs/dbraw/zinc/13/47/76/192134776.db2.gz LDEZTQXYZMDENG-UHFFFAOYSA-N 0 0 242.413 3.695 20 0 BHADRN Cc1nnc(CSCC2=CCCCC2)s1 ZINC000419435757 192135303 /nfs/dbraw/zinc/13/53/03/192135303.db2.gz CRIXBZPTBFHONJ-UHFFFAOYSA-N 0 0 240.397 3.580 20 0 BHADRN CC[C@H](CSCCCCC(F)(F)F)OC ZINC000419436330 192135875 /nfs/dbraw/zinc/13/58/75/192135875.db2.gz CZYRWSHIGKTJPB-SECBINFHSA-N 0 0 244.322 3.877 20 0 BHADRN CC[C@@H](CSCCCCC(F)(F)F)OC ZINC000419436332 192135814 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Cc1cccc([C@@H](C)S[C@H]2CCOC2)c1 ZINC000419450503 192136471 /nfs/dbraw/zinc/13/64/71/192136471.db2.gz ZGZQFMIIYDSSQV-YPMHNXCESA-N 0 0 222.353 3.578 20 0 BHADRN c1csc(CSCC2=CCCCC2)n1 ZINC000419450559 192136619 /nfs/dbraw/zinc/13/66/19/192136619.db2.gz STAALJVUZVXXKV-UHFFFAOYSA-N 0 0 225.382 3.877 20 0 BHADRN CC(=O)c1cccc(CSCC2CCC2)c1 ZINC000419450875 192136175 /nfs/dbraw/zinc/13/61/75/192136175.db2.gz ZSNOBIRPHHXQSW-UHFFFAOYSA-N 0 0 234.364 3.923 20 0 BHADRN CC/C=C\CCSCCn1cc(Cl)cn1 ZINC000419451346 192136624 /nfs/dbraw/zinc/13/66/24/192136624.db2.gz NGOOCTFSHALDTR-ARJAWSKDSA-N 0 0 244.791 3.626 20 0 BHADRN CC/C=C/CCSCCn1cc(Cl)cn1 ZINC000419451348 192136047 /nfs/dbraw/zinc/13/60/47/192136047.db2.gz NGOOCTFSHALDTR-ONEGZZNKSA-N 0 0 244.791 3.626 20 0 BHADRN Cc1cccnc1CSCC1CC(F)(F)C1 ZINC000419451450 192136318 /nfs/dbraw/zinc/13/63/18/192136318.db2.gz CYAUQLWCKSFTKK-UHFFFAOYSA-N 0 0 243.322 3.669 20 0 BHADRN c1ccc(CSCC2=CCCCC2)nc1 ZINC000419451498 192136093 /nfs/dbraw/zinc/13/60/93/192136093.db2.gz DGRFXPCFEXHTKM-UHFFFAOYSA-N 0 0 219.353 3.815 20 0 BHADRN FC1(F)CC(CSCC2CCCC2)C1 ZINC000419451871 192136440 /nfs/dbraw/zinc/13/64/40/192136440.db2.gz OBUTVXNBYHZKRZ-UHFFFAOYSA-N 0 0 220.328 3.955 20 0 BHADRN CC/C=C\CCSCCc1cscn1 ZINC000419451886 192136022 /nfs/dbraw/zinc/13/60/22/192136022.db2.gz OEHSTOMORVLXNQ-ARJAWSKDSA-N 0 0 227.398 3.775 20 0 BHADRN CC/C=C/CCSCCc1cscn1 ZINC000419451887 192136333 /nfs/dbraw/zinc/13/63/33/192136333.db2.gz OEHSTOMORVLXNQ-ONEGZZNKSA-N 0 0 227.398 3.775 20 0 BHADRN FC(F)c1ccc(CS[C@@H]2CCOC2)cc1 ZINC000419452377 192136446 /nfs/dbraw/zinc/13/64/46/192136446.db2.gz PAZYDSMIJKPEEJ-LLVKDONJSA-N 0 0 244.306 3.646 20 0 BHADRN FC(F)c1ccc(CS[C@H]2CCOC2)cc1 ZINC000419452378 192136303 /nfs/dbraw/zinc/13/63/03/192136303.db2.gz PAZYDSMIJKPEEJ-NSHDSACASA-N 0 0 244.306 3.646 20 0 BHADRN CC(C)C[C@@H](C)SCc1nccs1 ZINC000419452557 192136118 /nfs/dbraw/zinc/13/61/18/192136118.db2.gz WIQAZENTAZWMMZ-SECBINFHSA-N 0 0 215.387 3.811 20 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/nfs/dbraw/zinc/13/63/12/192136312.db2.gz VKXAGCMBPYFFGE-SECBINFHSA-N 0 0 244.322 3.733 20 0 BHADRN CC(C)C[C@H](C)SCCOCC(F)(F)F ZINC000419454954 192136042 /nfs/dbraw/zinc/13/60/42/192136042.db2.gz VKXAGCMBPYFFGE-VIFPVBQESA-N 0 0 244.322 3.733 20 0 BHADRN CC(C)C[C@@H](C)S[C@H](C)c1cnccn1 ZINC000419455120 192137033 /nfs/dbraw/zinc/13/70/33/192137033.db2.gz VXXFPDBILOEICI-GHMZBOCLSA-N 0 0 224.373 3.705 20 0 BHADRN CC(C)C[C@@H](C)S[C@@H](C)c1cnccn1 ZINC000419455121 192136894 /nfs/dbraw/zinc/13/68/94/192136894.db2.gz VXXFPDBILOEICI-MNOVXSKESA-N 0 0 224.373 3.705 20 0 BHADRN CC(C)C[C@H](C)S[C@@H](C)c1cnccn1 ZINC000419455122 192137039 /nfs/dbraw/zinc/13/70/39/192137039.db2.gz VXXFPDBILOEICI-QWRGUYRKSA-N 0 0 224.373 3.705 20 0 BHADRN CC(C)C[C@H](C)S[C@H](C)c1cnccn1 ZINC000419455123 192136916 /nfs/dbraw/zinc/13/69/16/192136916.db2.gz VXXFPDBILOEICI-WDEREUQCSA-N 0 0 224.373 3.705 20 0 BHADRN CC/C=C\CCSC[C@@H](CC)OC ZINC000419455323 192137050 /nfs/dbraw/zinc/13/70/50/192137050.db2.gz WLPUFLSWADMARE-JMEBYUIHSA-N 0 0 202.363 3.501 20 0 BHADRN CC/C=C/CCSC[C@H](CC)OC ZINC000419455325 192137201 /nfs/dbraw/zinc/13/72/01/192137201.db2.gz WLPUFLSWADMARE-MLRMMBSGSA-N 0 0 202.363 3.501 20 0 BHADRN CC/C=C/CCSC[C@@H](CC)OC ZINC000419455326 192137165 /nfs/dbraw/zinc/13/71/65/192137165.db2.gz WLPUFLSWADMARE-XUIVZRPNSA-N 0 0 202.363 3.501 20 0 BHADRN CC/C=C\CCSC[C@H](CC)OC ZINC000419455327 192136835 /nfs/dbraw/zinc/13/68/35/192136835.db2.gz WLPUFLSWADMARE-ZADCQDASSA-N 0 0 202.363 3.501 20 0 BHADRN CC/C=C\CCSCCc1cncs1 ZINC000419456011 192136784 /nfs/dbraw/zinc/13/67/84/192136784.db2.gz YRTBXVBHKKFKSI-ARJAWSKDSA-N 0 0 227.398 3.775 20 0 BHADRN CC/C=C/CCSCCc1cncs1 ZINC000419456012 192136973 /nfs/dbraw/zinc/13/69/73/192136973.db2.gz YRTBXVBHKKFKSI-ONEGZZNKSA-N 0 0 227.398 3.775 20 0 BHADRN C[C@@H](SCC1=CCCCC1)c1cnccn1 ZINC000419456218 192137108 /nfs/dbraw/zinc/13/71/08/192137108.db2.gz ZIDFWQURYMECNC-LLVKDONJSA-N 0 0 234.368 3.771 20 0 BHADRN C[C@H](SCC1=CCCCC1)c1cnccn1 ZINC000419456219 192136910 /nfs/dbraw/zinc/13/69/10/192136910.db2.gz ZIDFWQURYMECNC-NSHDSACASA-N 0 0 234.368 3.771 20 0 BHADRN CCC[C@@H](C)SCc1ccc(CO)cc1 ZINC000419456301 192137011 /nfs/dbraw/zinc/13/70/11/192137011.db2.gz SFTYDXSEPDIYSF-LLVKDONJSA-N 0 0 224.369 3.601 20 0 BHADRN CCC[C@H](C)SCc1ccc(CO)cc1 ZINC000419456302 192137209 /nfs/dbraw/zinc/13/72/09/192137209.db2.gz SFTYDXSEPDIYSF-NSHDSACASA-N 0 0 224.369 3.601 20 0 BHADRN COCCCSCCC1=CCCCC1 ZINC000419456906 192136898 /nfs/dbraw/zinc/13/68/98/192136898.db2.gz AWTCJLJIUCXMBX-UHFFFAOYSA-N 0 0 214.374 3.647 20 0 BHADRN C[C@@H]1CC[C@@H](SCc2ccc(CO)cc2)C1 ZINC000419457343 192137157 /nfs/dbraw/zinc/13/71/57/192137157.db2.gz WBVGTIWOBYLKJF-BXUZGUMPSA-N 0 0 236.380 3.601 20 0 BHADRN C[C@H]1CC[C@H](SCc2ccc(CO)cc2)C1 ZINC000419457346 192136849 /nfs/dbraw/zinc/13/68/49/192136849.db2.gz WBVGTIWOBYLKJF-FZMZJTMJSA-N 0 0 236.380 3.601 20 0 BHADRN C[C@@H]1CC[C@H](SCc2ccc(CO)cc2)C1 ZINC000419457348 192136722 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244.787 3.652 20 0 BHADRN CC[C@H](CSCCCc1ccsc1)OC ZINC000419459218 192136794 /nfs/dbraw/zinc/13/67/94/192136794.db2.gz FMKHTCWDNZZATA-GFCCVEGCSA-N 0 0 244.425 3.839 20 0 BHADRN CC[C@@H](CSCCCc1ccsc1)OC ZINC000419459220 192137073 /nfs/dbraw/zinc/13/70/73/192137073.db2.gz FMKHTCWDNZZATA-LBPRGKRZSA-N 0 0 244.425 3.839 20 0 BHADRN COCCCSCC/C=C/c1ccccc1 ZINC000419459606 192137071 /nfs/dbraw/zinc/13/70/71/192137071.db2.gz GQWUQCXSYDOWTQ-BJMVGYQFSA-N 0 0 236.380 3.860 20 0 BHADRN COCCCSCC/C=C\c1ccccc1 ZINC000419459607 192137166 /nfs/dbraw/zinc/13/71/66/192137166.db2.gz GQWUQCXSYDOWTQ-YHYXMXQVSA-N 0 0 236.380 3.860 20 0 BHADRN Fc1cc(Cl)ccc1CS[C@H]1CCOC1 ZINC000419459623 192137042 /nfs/dbraw/zinc/13/70/42/192137042.db2.gz GSMMDRUEFAGVJV-JTQLQIEISA-N 0 0 246.734 3.501 20 0 BHADRN Fc1cc(Cl)ccc1CS[C@@H]1CCOC1 ZINC000419459624 192136798 /nfs/dbraw/zinc/13/67/98/192136798.db2.gz GSMMDRUEFAGVJV-SNVBAGLBSA-N 0 0 246.734 3.501 20 0 BHADRN CCC[C@H](C)SCCC(C)(C)OC ZINC000419460005 192136815 /nfs/dbraw/zinc/13/68/15/192136815.db2.gz FEWTYTFHWNTDAE-JTQLQIEISA-N 0 0 204.379 3.723 20 0 BHADRN CCC[C@@H](C)SCCC(C)(C)OC ZINC000419460006 192136751 /nfs/dbraw/zinc/13/67/51/192136751.db2.gz FEWTYTFHWNTDAE-SNVBAGLBSA-N 0 0 204.379 3.723 20 0 BHADRN OC1(CCSCCC2=CCCCC2)CC1 ZINC000419460338 192136788 /nfs/dbraw/zinc/13/67/88/192136788.db2.gz FVFHXBYXJOUOOR-UHFFFAOYSA-N 0 0 226.385 3.525 20 0 BHADRN CO[C@H](C)CSCc1ccc(C)cc1C ZINC000419461180 192136780 /nfs/dbraw/zinc/13/67/80/192136780.db2.gz KCJOQCYJXWVSPZ-GFCCVEGCSA-N 0 0 224.369 3.572 20 0 BHADRN CO[C@@H](C)CSCc1ccc(C)cc1C ZINC000419461181 192136828 /nfs/dbraw/zinc/13/68/28/192136828.db2.gz KCJOQCYJXWVSPZ-LBPRGKRZSA-N 0 0 224.369 3.572 20 0 BHADRN Fc1c(Cl)cccc1CS[C@@H]1CCOC1 ZINC000419461774 192137037 /nfs/dbraw/zinc/13/70/37/192137037.db2.gz IIEVVXQIFKMZQM-SECBINFHSA-N 0 0 246.734 3.501 20 0 BHADRN Fc1c(Cl)cccc1CS[C@H]1CCOC1 ZINC000419461775 192137009 /nfs/dbraw/zinc/13/70/09/192137009.db2.gz IIEVVXQIFKMZQM-VIFPVBQESA-N 0 0 246.734 3.501 20 0 BHADRN FC(F)COCCSCC1=CCCCC1 ZINC000419462038 192136806 /nfs/dbraw/zinc/13/68/06/192136806.db2.gz IQHQIUVAVJVJJZ-UHFFFAOYSA-N 0 0 236.327 3.502 20 0 BHADRN FC1(F)CC(CSCCC2CC2)C1 ZINC000419462197 192137125 /nfs/dbraw/zinc/13/71/25/192137125.db2.gz LLLXFIXKQYRCSB-UHFFFAOYSA-N 0 0 206.301 3.565 20 0 BHADRN CO[C@@H](C)CSCCc1ccc(Cl)cc1 ZINC000419462293 192136827 /nfs/dbraw/zinc/13/68/27/192136827.db2.gz MQFMROXHVVBPBO-JTQLQIEISA-N 0 0 244.787 3.651 20 0 BHADRN CO[C@H](C)CSCCc1ccc(Cl)cc1 ZINC000419462294 192136877 /nfs/dbraw/zinc/13/68/77/192136877.db2.gz MQFMROXHVVBPBO-SNVBAGLBSA-N 0 0 244.787 3.651 20 0 BHADRN CO[C@H](C)CSCC1CCC(F)(F)CC1 ZINC000419462804 192136981 /nfs/dbraw/zinc/13/69/81/192136981.db2.gz NRNJRPGZOGFRLM-SECBINFHSA-N 0 0 238.343 3.580 20 0 BHADRN CO[C@@H](C)CSCC1CCC(F)(F)CC1 ZINC000419462805 192136896 /nfs/dbraw/zinc/13/68/96/192136896.db2.gz NRNJRPGZOGFRLM-VIFPVBQESA-N 0 0 238.343 3.580 20 0 BHADRN Fc1ccc(Cl)cc1CS[C@H]1CCOC1 ZINC000419463106 192136763 /nfs/dbraw/zinc/13/67/63/192136763.db2.gz KRBYDUAKIYKSLD-JTQLQIEISA-N 0 0 246.734 3.501 20 0 BHADRN Fc1ccc(Cl)cc1CS[C@@H]1CCOC1 ZINC000419463107 192136928 /nfs/dbraw/zinc/13/69/28/192136928.db2.gz KRBYDUAKIYKSLD-SNVBAGLBSA-N 0 0 246.734 3.501 20 0 BHADRN CCn1cc(CCSCCC(C)(C)C)cn1 ZINC000419463396 192137044 /nfs/dbraw/zinc/13/70/44/192137044.db2.gz NCVWEXJTKYZPKB-UHFFFAOYSA-N 0 0 240.416 3.615 20 0 BHADRN CO[C@H](C)CSCCC1=CCCCC1 ZINC000419463861 192137791 /nfs/dbraw/zinc/13/77/91/192137791.db2.gz QDRZAXPNRYNSCE-LLVKDONJSA-N 0 0 214.374 3.645 20 0 BHADRN CO[C@@H](C)CSCCC1=CCCCC1 ZINC000419463862 192137674 /nfs/dbraw/zinc/13/76/74/192137674.db2.gz QDRZAXPNRYNSCE-NSHDSACASA-N 0 0 214.374 3.645 20 0 BHADRN CO[C@@H](CSCCC(C)(C)OC)CC(C)C ZINC000419464249 192137789 /nfs/dbraw/zinc/13/77/89/192137789.db2.gz MYPLMPFETGMMHW-GFCCVEGCSA-N 0 0 248.432 3.596 20 0 BHADRN CO[C@H](CSCCC(C)(C)OC)CC(C)C ZINC000419464250 192137653 /nfs/dbraw/zinc/13/76/53/192137653.db2.gz MYPLMPFETGMMHW-LBPRGKRZSA-N 0 0 248.432 3.596 20 0 BHADRN COC(C)(C)CCSCC1CC(F)(F)C1 ZINC000419464524 192137507 /nfs/dbraw/zinc/13/75/07/192137507.db2.gz NJMPKRVLMAIGAD-UHFFFAOYSA-N 0 0 238.343 3.580 20 0 BHADRN Fc1ccc(Cl)c(CS[C@H]2CCOC2)c1 ZINC000419464797 192137772 /nfs/dbraw/zinc/13/77/72/192137772.db2.gz PXHGWNQGAQMSNK-JTQLQIEISA-N 0 0 246.734 3.501 20 0 BHADRN Fc1ccc(Cl)c(CS[C@@H]2CCOC2)c1 ZINC000419464798 192137700 /nfs/dbraw/zinc/13/77/00/192137700.db2.gz PXHGWNQGAQMSNK-SNVBAGLBSA-N 0 0 246.734 3.501 20 0 BHADRN Fc1cc(CS[C@@H]2CCOC2)ccc1Cl ZINC000419464895 192137775 /nfs/dbraw/zinc/13/77/75/192137775.db2.gz NTRQCSOVKLVPPE-SECBINFHSA-N 0 0 246.734 3.501 20 0 BHADRN Fc1cc(CS[C@H]2CCOC2)ccc1Cl ZINC000419464896 192137603 /nfs/dbraw/zinc/13/76/03/192137603.db2.gz NTRQCSOVKLVPPE-VIFPVBQESA-N 0 0 246.734 3.501 20 0 BHADRN CC(=O)c1ccc(CSCCC2CC2)cc1 ZINC000419465129 192137337 /nfs/dbraw/zinc/13/73/37/192137337.db2.gz QMGLUXKFZVNNNA-UHFFFAOYSA-N 0 0 234.364 3.923 20 0 BHADRN COCCCSCc1sccc1Cl ZINC000419465171 192137644 /nfs/dbraw/zinc/13/76/44/192137644.db2.gz QPWCZWXTDCTOGF-UHFFFAOYSA-N 0 0 236.789 3.671 20 0 BHADRN CC[C@H](CSCCCCOC(C)(C)C)OC ZINC000419465637 192137351 /nfs/dbraw/zinc/13/73/51/192137351.db2.gz PFQCYSJNLLXIJL-GFCCVEGCSA-N 0 0 248.432 3.740 20 0 BHADRN CC[C@@H](CSCCCCOC(C)(C)C)OC ZINC000419465638 192137278 /nfs/dbraw/zinc/13/72/78/192137278.db2.gz PFQCYSJNLLXIJL-LBPRGKRZSA-N 0 0 248.432 3.740 20 0 BHADRN Cc1ccc(CSCc2ncccn2)c(C)c1 ZINC000419465846 192133903 /nfs/dbraw/zinc/13/39/03/192133903.db2.gz PTEPUDUDPBVVMW-UHFFFAOYSA-N 0 0 244.363 3.527 20 0 BHADRN OC1(CCSCc2sccc2Cl)CC1 ZINC000419466226 192133551 /nfs/dbraw/zinc/13/35/51/192133551.db2.gz QDPAWKGGDWEQLX-UHFFFAOYSA-N 0 0 248.800 3.550 20 0 BHADRN CC(C)(C)CCSCC[C@H]1CCOC1 ZINC000419466260 192133802 /nfs/dbraw/zinc/13/38/02/192133802.db2.gz SMVSPWOFCPSNRS-LLVKDONJSA-N 0 0 216.390 3.582 20 0 BHADRN CC(C)(C)CCSCC[C@@H]1CCOC1 ZINC000419466262 192133508 /nfs/dbraw/zinc/13/35/08/192133508.db2.gz SMVSPWOFCPSNRS-NSHDSACASA-N 0 0 216.390 3.582 20 0 BHADRN COCCCSCC1CCC(F)(F)CC1 ZINC000419466471 192133880 /nfs/dbraw/zinc/13/38/80/192133880.db2.gz SQGDYFHGHSISCR-UHFFFAOYSA-N 0 0 238.343 3.582 20 0 BHADRN C1=C(CSCC[C@H]2CCCO2)CCCC1 ZINC000419466592 192133770 /nfs/dbraw/zinc/13/37/70/192133770.db2.gz RBOUWDZSIQAOHO-CYBMUJFWSA-N 0 0 226.385 3.789 20 0 BHADRN C1=C(CSCC[C@@H]2CCCO2)CCCC1 ZINC000419466593 192133509 /nfs/dbraw/zinc/13/35/09/192133509.db2.gz RBOUWDZSIQAOHO-ZDUSSCGKSA-N 0 0 226.385 3.789 20 0 BHADRN Fc1ccc(CS[C@@H]2CCOC2)cc1Cl ZINC000419466625 192133704 /nfs/dbraw/zinc/13/37/04/192133704.db2.gz RFOKEHHLTGERTQ-SECBINFHSA-N 0 0 246.734 3.501 20 0 BHADRN Fc1ccc(CS[C@H]2CCOC2)cc1Cl ZINC000419466626 192134025 /nfs/dbraw/zinc/13/40/25/192134025.db2.gz RFOKEHHLTGERTQ-VIFPVBQESA-N 0 0 246.734 3.501 20 0 BHADRN CC(C)(C)CCSCCc1cscn1 ZINC000419466796 192133575 /nfs/dbraw/zinc/13/35/75/192133575.db2.gz UCGPQILYHUXDJF-UHFFFAOYSA-N 0 0 229.414 3.855 20 0 BHADRN CC(C)C[C@@H](C)SCC[C@@H]1CCCO1 ZINC000419467229 192133798 /nfs/dbraw/zinc/13/37/98/192133798.db2.gz SDYCJCNDFWPVCQ-NEPJUHHUSA-N 0 0 216.390 3.723 20 0 BHADRN CC(C)C[C@H](C)SCC[C@H]1CCCO1 ZINC000419467230 192133583 /nfs/dbraw/zinc/13/35/83/192133583.db2.gz SDYCJCNDFWPVCQ-NWDGAFQWSA-N 0 0 216.390 3.723 20 0 BHADRN CC(C)C[C@H](C)SCC[C@@H]1CCCO1 ZINC000419467234 192133596 /nfs/dbraw/zinc/13/35/96/192133596.db2.gz SDYCJCNDFWPVCQ-RYUDHWBXSA-N 0 0 216.390 3.723 20 0 BHADRN CC(C)C[C@@H](C)SCC[C@H]1CCCO1 ZINC000419467236 192133372 /nfs/dbraw/zinc/13/33/72/192133372.db2.gz SDYCJCNDFWPVCQ-VXGBXAGGSA-N 0 0 216.390 3.723 20 0 BHADRN CO[C@H](C)CSCc1sccc1Cl ZINC000419467253 192133927 /nfs/dbraw/zinc/13/39/27/192133927.db2.gz XLVYGCRFODWCTA-SSDOTTSWSA-N 0 0 236.789 3.670 20 0 BHADRN CO[C@@H](C)CSCc1sccc1Cl ZINC000419467255 192133560 /nfs/dbraw/zinc/13/35/60/192133560.db2.gz XLVYGCRFODWCTA-ZETCQYMHSA-N 0 0 236.789 3.670 20 0 BHADRN CO[C@H](C)CSCC/C=C\c1ccccc1 ZINC000419467462 192133671 /nfs/dbraw/zinc/13/36/71/192133671.db2.gz YANCERWFBMCLLL-AGEOTTOMSA-N 0 0 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/nfs/dbraw/zinc/31/53/08/192315308.db2.gz DXWOBTXBHJQYIP-VQXHTEKXSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc([C@]23C[C@H]2CCC3)n1 ZINC000421242730 192314845 /nfs/dbraw/zinc/31/48/45/192314845.db2.gz GHHXRFMNUTYTBU-MCYUEQNJSA-N 0 0 246.354 3.805 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc([C@@]23C[C@@H]2CCC3)n1 ZINC000421242734 192314712 /nfs/dbraw/zinc/31/47/12/192314712.db2.gz GHHXRFMNUTYTBU-YXMPFFBPSA-N 0 0 246.354 3.805 20 0 BHADRN Clc1cccc(-c2noc([C@@H]3CC34CC4)n2)c1 ZINC000421243196 192315299 /nfs/dbraw/zinc/31/52/99/192315299.db2.gz MNOQRXODXJJYTP-JTQLQIEISA-N 0 0 246.697 3.658 20 0 BHADRN Clc1cccc(-c2noc([C@H]3CC34CC4)n2)c1 ZINC000421243200 192314850 /nfs/dbraw/zinc/31/48/50/192314850.db2.gz MNOQRXODXJJYTP-SNVBAGLBSA-N 0 0 246.697 3.658 20 0 BHADRN CC1CCC(c2noc([C@@]34C[C@@H]3CCC4)n2)CC1 ZINC000421243405 192314790 /nfs/dbraw/zinc/31/47/90/192314790.db2.gz HKTNTSLKZNQTLM-UFDFEIGVSA-N 0 0 246.354 3.805 20 0 BHADRN CC1CCC(c2noc([C@]34C[C@H]3CCC4)n2)CC1 ZINC000421243408 192314732 /nfs/dbraw/zinc/31/47/32/192314732.db2.gz HKTNTSLKZNQTLM-WKQXJPDBSA-N 0 0 246.354 3.805 20 0 BHADRN C[C@@H]1CCC[C@H](c2noc([C@]34C[C@H]3CCC4)n2)C1 ZINC000421243751 192315146 /nfs/dbraw/zinc/31/51/46/192315146.db2.gz IJVDACRYDOFMOK-NWJSVONSSA-N 0 0 246.354 3.805 20 0 BHADRN C[C@@H]1CCC[C@H](c2noc([C@@]34C[C@@H]3CCC4)n2)C1 ZINC000421243759 192314979 /nfs/dbraw/zinc/31/49/79/192314979.db2.gz IJVDACRYDOFMOK-YXMPFFBPSA-N 0 0 246.354 3.805 20 0 BHADRN C1[C@H]2CCC[C@@]12c1nc(C2CCCCC2)no1 ZINC000421244583 192314959 /nfs/dbraw/zinc/31/49/59/192314959.db2.gz OMQCRYBUFKOOLS-BXUZGUMPSA-N 0 0 232.327 3.559 20 0 BHADRN C1[C@@H]2CCC[C@]12c1nc(C2CCCCC2)no1 ZINC000421244585 192315303 /nfs/dbraw/zinc/31/53/03/192315303.db2.gz OMQCRYBUFKOOLS-FZMZJTMJSA-N 0 0 232.327 3.559 20 0 BHADRN C1=C(Cc2noc([C@]34C[C@H]3CCC4)n2)CCCC1 ZINC000421244640 192315129 /nfs/dbraw/zinc/31/51/29/192315129.db2.gz JRHJIVHTQINAKT-IUODEOHRSA-N 0 0 244.338 3.554 20 0 BHADRN C1=C(Cc2noc([C@@]34C[C@@H]3CCC4)n2)CCCC1 ZINC000421244645 192315184 /nfs/dbraw/zinc/31/51/84/192315184.db2.gz JRHJIVHTQINAKT-WFASDCNBSA-N 0 0 244.338 3.554 20 0 BHADRN C(c1noc([C@]23C[C@H]2CCC3)n1)C1CCCCC1 ZINC000421244748 192314899 /nfs/dbraw/zinc/31/48/99/192314899.db2.gz KEPOSJRRDDYGDX-IUODEOHRSA-N 0 0 246.354 3.634 20 0 BHADRN C(c1noc([C@@]23C[C@@H]2CCC3)n1)C1CCCCC1 ZINC000421244750 192315280 /nfs/dbraw/zinc/31/52/80/192315280.db2.gz KEPOSJRRDDYGDX-WFASDCNBSA-N 0 0 246.354 3.634 20 0 BHADRN C1[C@H]2CC[C@@H](c3nc(C4CCCC4)no3)C[C@@H]12 ZINC000421244934 192315220 /nfs/dbraw/zinc/31/52/20/192315220.db2.gz OWZKGNGQMHFPLX-IJLUTSLNSA-N 0 0 232.327 3.631 20 0 BHADRN C1[C@@H]2CC[C@@H](c3nc(C4CCCC4)no3)C[C@H]12 ZINC000421244940 192315104 /nfs/dbraw/zinc/31/51/04/192315104.db2.gz OWZKGNGQMHFPLX-TUAOUCFPSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1CCC[C@@H](c2noc([C@H]3CC34CC4)n2)C1 ZINC000421245536 192314741 /nfs/dbraw/zinc/31/47/41/192314741.db2.gz LDUSDLNJHJEWMW-GMTAPVOTSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1CCC[C@@H](c2noc([C@@H]3CC34CC4)n2)C1 ZINC000421245537 192315126 /nfs/dbraw/zinc/31/51/26/192315126.db2.gz LDUSDLNJHJEWMW-MXWKQRLJSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1CCC[C@H](c2noc([C@H]3CC34CC4)n2)C1 ZINC000421245539 192314752 /nfs/dbraw/zinc/31/47/52/192314752.db2.gz LDUSDLNJHJEWMW-OUAUKWLOSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1CCC[C@H](c2noc([C@@H]3CC34CC4)n2)C1 ZINC000421245540 192315227 /nfs/dbraw/zinc/31/52/27/192315227.db2.gz LDUSDLNJHJEWMW-VWYCJHECSA-N 0 0 232.327 3.631 20 0 BHADRN C(CC1CCCCC1)c1noc([C@H]2CC23CC3)n1 ZINC000421246087 192314986 /nfs/dbraw/zinc/31/49/86/192314986.db2.gz METQFYNPDSZPSA-GFCCVEGCSA-N 0 0 246.354 3.850 20 0 BHADRN C(CC1CCCCC1)c1noc([C@@H]2CC23CC3)n1 ZINC000421246088 192315335 /nfs/dbraw/zinc/31/53/35/192315335.db2.gz METQFYNPDSZPSA-LBPRGKRZSA-N 0 0 246.354 3.850 20 0 BHADRN CCC(CC)c1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000421246674 192315193 /nfs/dbraw/zinc/31/51/93/192315193.db2.gz FBASZAJOBNXOTF-IJLUTSLNSA-N 0 0 234.343 3.877 20 0 BHADRN CCC(CC)c1noc([C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000421246682 192314830 /nfs/dbraw/zinc/31/48/30/192314830.db2.gz FBASZAJOBNXOTF-TUAOUCFPSA-N 0 0 234.343 3.877 20 0 BHADRN Cc1cc(C)cc(-c2noc([C@H]3CC34CC4)n2)c1 ZINC000421246688 192314816 /nfs/dbraw/zinc/31/48/16/192314816.db2.gz FBHYORVKSXVAKK-GFCCVEGCSA-N 0 0 240.306 3.621 20 0 BHADRN Cc1cc(C)cc(-c2noc([C@@H]3CC34CC4)n2)c1 ZINC000421246691 192314792 /nfs/dbraw/zinc/31/47/92/192314792.db2.gz FBHYORVKSXVAKK-LBPRGKRZSA-N 0 0 240.306 3.621 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc([C@H]2CC23CC3)n1 ZINC000421246881 192315270 /nfs/dbraw/zinc/31/52/70/192315270.db2.gz NQUCZYIGGXYEEF-GMTAPVOTSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1noc([C@@H]2CC23CC3)n1 ZINC000421246882 192315286 /nfs/dbraw/zinc/31/52/86/192315286.db2.gz NQUCZYIGGXYEEF-MXWKQRLJSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc([C@H]2CC23CC3)n1 ZINC000421246883 192314756 /nfs/dbraw/zinc/31/47/56/192314756.db2.gz NQUCZYIGGXYEEF-OUAUKWLOSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1noc([C@@H]2CC23CC3)n1 ZINC000421246884 192315233 /nfs/dbraw/zinc/31/52/33/192315233.db2.gz NQUCZYIGGXYEEF-VWYCJHECSA-N 0 0 232.327 3.631 20 0 BHADRN CC(C)CCc1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000421247608 192314942 /nfs/dbraw/zinc/31/49/42/192314942.db2.gz PLQVXQLOKYOLKM-IJLUTSLNSA-N 0 0 234.343 3.562 20 0 BHADRN CC(C)CCc1noc([C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000421247612 192315008 /nfs/dbraw/zinc/31/50/08/192315008.db2.gz PLQVXQLOKYOLKM-TUAOUCFPSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@H](c1noc([C@@]23C[C@@H]2CCC3)n1)C(C)(C)C ZINC000421248578 192315338 /nfs/dbraw/zinc/31/53/38/192315338.db2.gz HYLRCJMABTXOEV-BFVZDQMLSA-N 0 0 234.343 3.661 20 0 BHADRN C[C@H](c1noc([C@]23C[C@H]2CCC3)n1)C(C)(C)C ZINC000421248579 192315317 /nfs/dbraw/zinc/31/53/17/192315317.db2.gz HYLRCJMABTXOEV-GPCCPHFNSA-N 0 0 234.343 3.661 20 0 BHADRN Cc1c(F)cccc1-c1nc(C2CCCC2)no1 ZINC000421249423 192314737 /nfs/dbraw/zinc/31/47/37/192314737.db2.gz XQZDQQKROLQRCG-UHFFFAOYSA-N 0 0 246.285 3.842 20 0 BHADRN Clc1ccccc1-c1noc([C@H]2CC23CC3)n1 ZINC000421253407 192314965 /nfs/dbraw/zinc/31/49/65/192314965.db2.gz AYBWRSVEBDJWEI-SECBINFHSA-N 0 0 246.697 3.658 20 0 BHADRN Clc1ccccc1-c1noc([C@@H]2CC23CC3)n1 ZINC000421253408 192314804 /nfs/dbraw/zinc/31/48/04/192314804.db2.gz AYBWRSVEBDJWEI-VIFPVBQESA-N 0 0 246.697 3.658 20 0 BHADRN Clc1ccc(-c2noc([C@@H]3CC34CC4)n2)cc1 ZINC000421254255 192314997 /nfs/dbraw/zinc/31/49/97/192314997.db2.gz CLTFZTUINAAOCW-JTQLQIEISA-N 0 0 246.697 3.658 20 0 BHADRN Clc1ccc(-c2noc([C@H]3CC34CC4)n2)cc1 ZINC000421254256 192315190 /nfs/dbraw/zinc/31/51/90/192315190.db2.gz CLTFZTUINAAOCW-SNVBAGLBSA-N 0 0 246.697 3.658 20 0 BHADRN c1cc(-c2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)cs1 ZINC000421256884 192315575 /nfs/dbraw/zinc/31/55/75/192315575.db2.gz GMTOYIBPMLCSKW-FXPVBKGRSA-N 0 0 246.335 3.702 20 0 BHADRN c1cc(-c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)cs1 ZINC000421256887 192316146 /nfs/dbraw/zinc/31/61/46/192316146.db2.gz GMTOYIBPMLCSKW-NGZCFLSTSA-N 0 0 246.335 3.702 20 0 BHADRN CCC1(c2noc([C@@H]3CC34CC4)n2)CCCC1 ZINC000421257144 192315655 /nfs/dbraw/zinc/31/56/55/192315655.db2.gz HATUHOWHBQHAKY-JTQLQIEISA-N 0 0 232.327 3.559 20 0 BHADRN CCC1(c2noc([C@H]3CC34CC4)n2)CCCC1 ZINC000421257146 192315776 /nfs/dbraw/zinc/31/57/76/192315776.db2.gz HATUHOWHBQHAKY-SNVBAGLBSA-N 0 0 232.327 3.559 20 0 BHADRN CCC1(c2noc([C@]34C[C@H]3CCC4)n2)CCCC1 ZINC000421257477 192315707 /nfs/dbraw/zinc/31/57/07/192315707.db2.gz HLJBSAWBDOWNBD-IAQYHMDHSA-N 0 0 246.354 3.733 20 0 BHADRN CCC1(c2noc([C@@]34C[C@@H]3CCC4)n2)CCCC1 ZINC000421257478 192316140 /nfs/dbraw/zinc/31/61/40/192316140.db2.gz HLJBSAWBDOWNBD-NHYWBVRUSA-N 0 0 246.354 3.733 20 0 BHADRN CCCC1(c2noc([C@]34C[C@H]3CCC4)n2)CCC1 ZINC000421257764 192316022 /nfs/dbraw/zinc/31/60/22/192316022.db2.gz CLPPAHQXPOLLGF-IAQYHMDHSA-N 0 0 246.354 3.733 20 0 BHADRN CCCC1(c2noc([C@@]34C[C@@H]3CCC4)n2)CCC1 ZINC000421257766 192315572 /nfs/dbraw/zinc/31/55/72/192315572.db2.gz CLPPAHQXPOLLGF-NHYWBVRUSA-N 0 0 246.354 3.733 20 0 BHADRN Cc1ccc(-c2noc([C@]34C[C@H]3CCC4)n2)s1 ZINC000421258529 192315830 /nfs/dbraw/zinc/31/58/30/192315830.db2.gz FHXWGTCTNYFOSA-NOZJJQNGSA-N 0 0 246.335 3.548 20 0 BHADRN Cc1ccc(-c2noc([C@@]34C[C@@H]3CCC4)n2)s1 ZINC000421258534 192316002 /nfs/dbraw/zinc/31/60/02/192316002.db2.gz FHXWGTCTNYFOSA-ZANVPECISA-N 0 0 246.335 3.548 20 0 BHADRN CC(C)(c1noc([C@]23C[C@H]2CCC3)n1)C1CCC1 ZINC000421259085 192315834 /nfs/dbraw/zinc/31/58/34/192315834.db2.gz BGDPBPRLXPYUDQ-IAQYHMDHSA-N 0 0 246.354 3.589 20 0 BHADRN CC(C)(c1noc([C@@]23C[C@@H]2CCC3)n1)C1CCC1 ZINC000421259087 192315590 /nfs/dbraw/zinc/31/55/90/192315590.db2.gz BGDPBPRLXPYUDQ-NHYWBVRUSA-N 0 0 246.354 3.589 20 0 BHADRN c1csc(-c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)c1 ZINC000421259235 192315868 /nfs/dbraw/zinc/31/58/68/192315868.db2.gz NCVVSHUBHRBUPH-AEJSXWLSSA-N 0 0 246.335 3.702 20 0 BHADRN c1csc(-c2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)c1 ZINC000421259238 192315506 /nfs/dbraw/zinc/31/55/06/192315506.db2.gz NCVVSHUBHRBUPH-OPRDCNLKSA-N 0 0 246.335 3.702 20 0 BHADRN c1ccc(-c2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)cc1 ZINC000421259675 192315917 /nfs/dbraw/zinc/31/59/17/192315917.db2.gz NOLSEOFFFOTSGX-JHJVBQTASA-N 0 0 240.306 3.640 20 0 BHADRN c1ccc(-c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)cc1 ZINC000421259680 192315744 /nfs/dbraw/zinc/31/57/44/192315744.db2.gz NOLSEOFFFOTSGX-XQQFMLRXSA-N 0 0 240.306 3.640 20 0 BHADRN CCCC1(c2noc([C@@H]3CC34CC4)n2)CCC1 ZINC000421262407 192315819 /nfs/dbraw/zinc/31/58/19/192315819.db2.gz NJDUTZMCOWVQBK-JTQLQIEISA-N 0 0 232.327 3.559 20 0 BHADRN CCCC1(c2noc([C@H]3CC34CC4)n2)CCC1 ZINC000421262408 192316067 /nfs/dbraw/zinc/31/60/67/192316067.db2.gz NJDUTZMCOWVQBK-SNVBAGLBSA-N 0 0 232.327 3.559 20 0 BHADRN C(c1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1)C1CCCC1 ZINC000421267729 192316655 /nfs/dbraw/zinc/31/66/55/192316655.db2.gz LDWGFVFTLMBGEI-JHJVBQTASA-N 0 0 246.354 3.706 20 0 BHADRN C(c1noc([C@@H]2CC[C@H]3C[C@H]3C2)n1)C1CCCC1 ZINC000421267737 192316767 /nfs/dbraw/zinc/31/67/67/192316767.db2.gz LDWGFVFTLMBGEI-XQQFMLRXSA-N 0 0 246.354 3.706 20 0 BHADRN Cc1ccsc1-c1noc([C@]23C[C@H]2CCC3)n1 ZINC000421268360 192316363 /nfs/dbraw/zinc/31/63/63/192316363.db2.gz MCFWVILBLVKCSW-NOZJJQNGSA-N 0 0 246.335 3.548 20 0 BHADRN Cc1ccsc1-c1noc([C@@]23C[C@@H]2CCC3)n1 ZINC000421268863 192316575 /nfs/dbraw/zinc/31/65/75/192316575.db2.gz MCFWVILBLVKCSW-ZANVPECISA-N 0 0 246.335 3.548 20 0 BHADRN Cc1cscc1-c1noc([C@]23C[C@H]2CCC3)n1 ZINC000421269361 192317204 /nfs/dbraw/zinc/31/72/04/192317204.db2.gz VAOGBOLJCNKNCX-NOZJJQNGSA-N 0 0 246.335 3.548 20 0 BHADRN Cc1cscc1-c1noc([C@@]23C[C@@H]2CCC3)n1 ZINC000421269367 192316319 /nfs/dbraw/zinc/31/63/19/192316319.db2.gz VAOGBOLJCNKNCX-ZANVPECISA-N 0 0 246.335 3.548 20 0 BHADRN CC1(Cc2noc([C@]34C[C@H]3CCC4)n2)CCCC1 ZINC000421273015 192316746 /nfs/dbraw/zinc/31/67/46/192316746.db2.gz PTBPTJRCQZWQQO-IAQYHMDHSA-N 0 0 246.354 3.634 20 0 BHADRN CC1(Cc2noc([C@@]34C[C@@H]3CCC4)n2)CCCC1 ZINC000421273017 192316740 /nfs/dbraw/zinc/31/67/40/192316740.db2.gz PTBPTJRCQZWQQO-NHYWBVRUSA-N 0 0 246.354 3.634 20 0 BHADRN CC(C)c1ccoc1-c1noc([C@@H]2CC23CC3)n1 ZINC000421275282 192316611 /nfs/dbraw/zinc/31/66/11/192316611.db2.gz RXRNHMSWZPEFIU-JTQLQIEISA-N 0 0 244.294 3.721 20 0 BHADRN CC(C)c1ccoc1-c1noc([C@H]2CC23CC3)n1 ZINC000421275283 192316930 /nfs/dbraw/zinc/31/69/30/192316930.db2.gz RXRNHMSWZPEFIU-SNVBAGLBSA-N 0 0 244.294 3.721 20 0 BHADRN Cc1c(F)cccc1-c1nc([C@H](C)C2CC2)no1 ZINC000421289709 192316366 /nfs/dbraw/zinc/31/63/66/192316366.db2.gz JFURBMIBMPIZAD-MRVPVSSYSA-N 0 0 246.285 3.698 20 0 BHADRN Cc1c(F)cccc1-c1nc([C@@H](C)C2CC2)no1 ZINC000421289710 192316688 /nfs/dbraw/zinc/31/66/88/192316688.db2.gz JFURBMIBMPIZAD-QMMMGPOBSA-N 0 0 246.285 3.698 20 0 BHADRN Cc1c(F)cccc1-c1nc(CCC2CC2)no1 ZINC000421310904 192316334 /nfs/dbraw/zinc/31/63/34/192316334.db2.gz ZPVWYBWZZBNAQQ-UHFFFAOYSA-N 0 0 246.285 3.527 20 0 BHADRN c1ccc(NCc2cccc(C3CC3)c2)nc1 ZINC000421320566 192316861 /nfs/dbraw/zinc/31/68/61/192316861.db2.gz ANRRHUDIPBHCQA-UHFFFAOYSA-N 0 0 224.307 3.571 20 0 BHADRN CCc1nn(C)cc1NC1CC2(C1)CCCCC2 ZINC000421345862 192319406 /nfs/dbraw/zinc/31/94/06/192319406.db2.gz XWBQOEWAFDKLBP-UHFFFAOYSA-N 0 0 247.386 3.507 20 0 BHADRN C[C@@H](NC1CC2(C1)CCCCC2)C(F)(F)F ZINC000421353888 192320283 /nfs/dbraw/zinc/32/02/83/192320283.db2.gz GNINZPIFTIMPFK-SECBINFHSA-N 0 0 235.293 3.640 20 0 BHADRN C[C@H](NC1CC2(C1)CCCCC2)C(F)(F)F ZINC000421353895 192320365 /nfs/dbraw/zinc/32/03/65/192320365.db2.gz GNINZPIFTIMPFK-VIFPVBQESA-N 0 0 235.293 3.640 20 0 BHADRN CC[C@@H](NCc1cccc(C2CC2)c1)C(F)F ZINC000421375262 192323336 /nfs/dbraw/zinc/32/33/36/192323336.db2.gz CLNOTVFPTFASLX-CYBMUJFWSA-N 0 0 239.309 3.697 20 0 BHADRN CC[C@H](NCc1cccc(C2CC2)c1)C(F)F ZINC000421375263 192322532 /nfs/dbraw/zinc/32/25/32/192322532.db2.gz CLNOTVFPTFASLX-ZDUSSCGKSA-N 0 0 239.309 3.697 20 0 BHADRN OCc1cccc(NC2CC3(C2)CCCCC3)c1 ZINC000421399112 192328963 /nfs/dbraw/zinc/32/89/63/192328963.db2.gz SYOKHJISACEWRV-UHFFFAOYSA-N 0 0 245.366 3.704 20 0 BHADRN CC(C)(C)c1ccccc1NC(=O)[C@H]1CC12CC2 ZINC000421410780 192341439 /nfs/dbraw/zinc/34/14/39/192341439.db2.gz ANOYSVGTVDIROU-GFCCVEGCSA-N 0 0 243.350 3.723 20 0 BHADRN CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC12CC2 ZINC000421410781 192341880 /nfs/dbraw/zinc/34/18/80/192341880.db2.gz ANOYSVGTVDIROU-LBPRGKRZSA-N 0 0 243.350 3.723 20 0 BHADRN CC(C)(C)c1ccc(NC(=O)[C@H]2CC23CC3)cc1 ZINC000421412473 192341695 /nfs/dbraw/zinc/34/16/95/192341695.db2.gz DQQOWAMDOMGYMJ-CYBMUJFWSA-N 0 0 243.350 3.723 20 0 BHADRN CC(C)(C)c1ccc(NC(=O)[C@@H]2CC23CC3)cc1 ZINC000421412475 490661360 /nfs/dbraw/zinc/66/13/60/490661360.db2.gz DQQOWAMDOMGYMJ-ZDUSSCGKSA-N 0 0 243.350 3.723 20 0 BHADRN CCc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000421412807 387073034 /nfs/dbraw/zinc/07/30/34/387073034.db2.gz FSFBABMQYPAZDN-MGPQQGTHSA-N 0 0 243.350 3.624 20 0 BHADRN CCc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000421412808 323448473 /nfs/dbraw/zinc/44/84/73/323448473.db2.gz FSFBABMQYPAZDN-MJBXVCDLSA-N 0 0 243.350 3.624 20 0 BHADRN O=C(Nc1cccc(Cl)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421413094 387073103 /nfs/dbraw/zinc/07/31/03/387073103.db2.gz GNXBBDXFUFBVSD-AXFHLTTASA-N 0 0 249.741 3.715 20 0 BHADRN O=C(Nc1cccc(Cl)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421413096 387073852 /nfs/dbraw/zinc/07/38/52/387073852.db2.gz GNXBBDXFUFBVSD-GMTAPVOTSA-N 0 0 249.741 3.715 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1C ZINC000421413296 387073807 /nfs/dbraw/zinc/07/38/07/387073807.db2.gz HCLDAPSKXAWZAC-MGPQQGTHSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1C ZINC000421413297 387073827 /nfs/dbraw/zinc/07/38/27/387073827.db2.gz HCLDAPSKXAWZAC-MJBXVCDLSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@]23C[C@@H]2CCC3)cc1Cl ZINC000421413437 192342586 /nfs/dbraw/zinc/34/25/86/192342586.db2.gz HJMQECYKOKRTIJ-HZMBPMFUSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1ccc(NC(=O)[C@]23C[C@H]2CCC3)cc1Cl ZINC000421413439 192342686 /nfs/dbraw/zinc/34/26/86/192342686.db2.gz HJMQECYKOKRTIJ-QMTHXVAHSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000421413690 192342736 /nfs/dbraw/zinc/34/27/36/192342736.db2.gz IHBMHXNZSRGMPR-MGPQQGTHSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000421413691 192342440 /nfs/dbraw/zinc/34/24/40/192342440.db2.gz IHBMHXNZSRGMPR-MJBXVCDLSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1C ZINC000421414085 192342241 /nfs/dbraw/zinc/34/22/41/192342241.db2.gz JJQDYSJAWOFKFZ-MGPQQGTHSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1C ZINC000421414086 192342364 /nfs/dbraw/zinc/34/23/64/192342364.db2.gz JJQDYSJAWOFKFZ-MJBXVCDLSA-N 0 0 243.350 3.678 20 0 BHADRN O=C(Nc1ccccc1Cl)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421414369 192342599 /nfs/dbraw/zinc/34/25/99/192342599.db2.gz JVTCSRLRIYSMJN-AXFHLTTASA-N 0 0 249.741 3.715 20 0 BHADRN O=C(Nc1ccccc1Cl)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421414370 192342410 /nfs/dbraw/zinc/34/24/10/192342410.db2.gz JVTCSRLRIYSMJN-GMTAPVOTSA-N 0 0 249.741 3.715 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)c1 ZINC000421414734 192342467 /nfs/dbraw/zinc/34/24/67/192342467.db2.gz KGMMLNVWXXDCLV-MGPQQGTHSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(C)c1 ZINC000421414735 192342165 /nfs/dbraw/zinc/34/21/65/192342165.db2.gz KGMMLNVWXXDCLV-MJBXVCDLSA-N 0 0 243.350 3.678 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)c1cccc(F)c1C ZINC000421414742 192342317 /nfs/dbraw/zinc/34/23/17/192342317.db2.gz KIEKBFOUIOJLSN-GFCCVEGCSA-N 0 0 249.329 3.539 20 0 BHADRN CC[C@H]1CCCCN1C(=O)c1cccc(F)c1C ZINC000421414743 192342309 /nfs/dbraw/zinc/34/23/09/192342309.db2.gz KIEKBFOUIOJLSN-LBPRGKRZSA-N 0 0 249.329 3.539 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@@]23C[C@@H]2CCC3)cc1 ZINC000421415308 192335031 /nfs/dbraw/zinc/33/50/31/192335031.db2.gz LEFFTSOBDLABDK-BBRMVZONSA-N 0 0 243.350 3.939 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@]23C[C@H]2CCC3)cc1 ZINC000421415310 192335781 /nfs/dbraw/zinc/33/57/81/192335781.db2.gz LEFFTSOBDLABDK-CZUORRHYSA-N 0 0 243.350 3.939 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@]12C[C@H]1CCC2 ZINC000421415361 192335272 /nfs/dbraw/zinc/33/52/72/192335272.db2.gz LNHIBTBSPMMXEI-GZBFAFLISA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421415363 192335233 /nfs/dbraw/zinc/33/52/33/192335233.db2.gz LNHIBTBSPMMXEI-YDHLFZDLSA-N 0 0 237.387 3.509 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1 ZINC000421416102 192336141 /nfs/dbraw/zinc/33/61/41/192336141.db2.gz DYAXNAJOMKBKRT-MGPQQGTHSA-N 0 0 249.398 3.604 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCC1 ZINC000421416103 192336409 /nfs/dbraw/zinc/33/64/09/192336409.db2.gz DYAXNAJOMKBKRT-MJBXVCDLSA-N 0 0 249.398 3.604 20 0 BHADRN Cc1c(F)cccc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000421416298 192336538 /nfs/dbraw/zinc/33/65/38/192336538.db2.gz FRBXMYVQFFFETI-GHMZBOCLSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1c(F)cccc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000421416300 192336512 /nfs/dbraw/zinc/33/65/12/192336512.db2.gz FRBXMYVQFFFETI-PHIMTYICSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1c(F)cccc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000421416301 192336200 /nfs/dbraw/zinc/33/62/00/192336200.db2.gz FRBXMYVQFFFETI-QWRGUYRKSA-N 0 0 249.329 3.537 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421416319 192336146 /nfs/dbraw/zinc/33/61/46/192336146.db2.gz NFEZITZEGKDKBY-HZMBPMFUSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)[C@]12C[C@H]1CCC2 ZINC000421416321 192336444 /nfs/dbraw/zinc/33/64/44/192336444.db2.gz NFEZITZEGKDKBY-QMTHXVAHSA-N 0 0 249.741 3.777 20 0 BHADRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421416337 192336553 /nfs/dbraw/zinc/33/65/53/192336553.db2.gz NHBPHBZPDOTPCZ-AXFHLTTASA-N 0 0 249.741 3.715 20 0 BHADRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421416338 192336089 /nfs/dbraw/zinc/33/60/89/192336089.db2.gz NHBPHBZPDOTPCZ-GMTAPVOTSA-N 0 0 249.741 3.715 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@H]2CC23CC3)cc1 ZINC000421416770 192336428 /nfs/dbraw/zinc/33/64/28/192336428.db2.gz OALKFJDECBSWDZ-CYBMUJFWSA-N 0 0 229.323 3.549 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@@H]2CC23CC3)cc1 ZINC000421416771 192336557 /nfs/dbraw/zinc/33/65/57/192336557.db2.gz OALKFJDECBSWDZ-ZDUSSCGKSA-N 0 0 229.323 3.549 20 0 BHADRN Cc1ccc(NC(=O)[C@@]23C[C@@H]2CCC3)c(Cl)c1 ZINC000421417183 192336590 /nfs/dbraw/zinc/33/65/90/192336590.db2.gz OSTYCHQVTKWOGQ-HZMBPMFUSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1ccc(NC(=O)[C@]23C[C@H]2CCC3)c(Cl)c1 ZINC000421417185 192336481 /nfs/dbraw/zinc/33/64/81/192336481.db2.gz OSTYCHQVTKWOGQ-QMTHXVAHSA-N 0 0 249.741 3.777 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@H]2CC23CC3)c1 ZINC000421418227 192336515 /nfs/dbraw/zinc/33/65/15/192336515.db2.gz HIZFDESGFNYLBP-CYBMUJFWSA-N 0 0 229.323 3.549 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@@H]2CC23CC3)c1 ZINC000421418228 192336391 /nfs/dbraw/zinc/33/63/91/192336391.db2.gz HIZFDESGFNYLBP-ZDUSSCGKSA-N 0 0 229.323 3.549 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@]12C[C@H]1CCC2 ZINC000421419620 192337237 /nfs/dbraw/zinc/33/72/37/192337237.db2.gz RUSRGOCVXFPFMY-GZBFAFLISA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421419622 192337000 /nfs/dbraw/zinc/33/70/00/192337000.db2.gz RUSRGOCVXFPFMY-YDHLFZDLSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCN(CCCC)C(=O)[C@]12C[C@H]1CCC2 ZINC000421420341 192337354 /nfs/dbraw/zinc/33/73/54/192337354.db2.gz LUKBXAGLMOGCQD-UKRRQHHQSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCN(CCCC)C(=O)[C@@]12C[C@@H]1CCC2 ZINC000421420342 192337196 /nfs/dbraw/zinc/33/71/96/192337196.db2.gz LUKBXAGLMOGCQD-ZFWWWQNUSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1c(F)cccc1C(=O)N(C)C1CCCCC1 ZINC000421420980 192336850 /nfs/dbraw/zinc/33/68/50/192336850.db2.gz TZTBBTGNVQADDS-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1cc(Cl)ccc1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421421612 192337215 /nfs/dbraw/zinc/33/72/15/192337215.db2.gz UHDJBMWMINEAFO-HZMBPMFUSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1cc(Cl)ccc1NC(=O)[C@]12C[C@H]1CCC2 ZINC000421421615 192337078 /nfs/dbraw/zinc/33/70/78/192337078.db2.gz UHDJBMWMINEAFO-QMTHXVAHSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421421670 192337116 /nfs/dbraw/zinc/33/71/16/192337116.db2.gz UPSNRKJNXXWMIK-IJLUTSLNSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421421674 192336781 /nfs/dbraw/zinc/33/67/81/192336781.db2.gz UPSNRKJNXXWMIK-TUAOUCFPSA-N 0 0 247.313 3.509 20 0 BHADRN CC(C)(C)CC(C)(C)NC(=O)[C@]12C[C@H]1CCC2 ZINC000421421722 192337360 /nfs/dbraw/zinc/33/73/60/192337360.db2.gz NPVJNZCVYGHGAG-IAQYHMDHSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)CC(C)(C)NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421421723 192337254 /nfs/dbraw/zinc/33/72/54/192337254.db2.gz NPVJNZCVYGHGAG-NHYWBVRUSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCc1ccc(NC(=O)[C@@H]2CC23CC3)cc1 ZINC000421422769 192337171 /nfs/dbraw/zinc/33/71/71/192337171.db2.gz VSEDEGCXQLCTNL-AWEZNQCLSA-N 0 0 243.350 3.768 20 0 BHADRN CCCCc1ccc(NC(=O)[C@H]2CC23CC3)cc1 ZINC000421422770 192337309 /nfs/dbraw/zinc/33/73/09/192337309.db2.gz VSEDEGCXQLCTNL-CQSZACIVSA-N 0 0 243.350 3.768 20 0 BHADRN O=C(Nc1cccc2ccccc21)[C@H]1CC12CC2 ZINC000421424455 192337683 /nfs/dbraw/zinc/33/76/83/192337683.db2.gz XDXOIKPFOILJIZ-CYBMUJFWSA-N 0 0 237.302 3.578 20 0 BHADRN O=C(Nc1cccc2ccccc21)[C@@H]1CC12CC2 ZINC000421424456 192337795 /nfs/dbraw/zinc/33/77/95/192337795.db2.gz XDXOIKPFOILJIZ-ZDUSSCGKSA-N 0 0 237.302 3.578 20 0 BHADRN O=C(NCCCC1CCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421424986 192337465 /nfs/dbraw/zinc/33/74/65/192337465.db2.gz ROCTYWPXRLLZPM-RBSFLKMASA-N 0 0 249.398 3.509 20 0 BHADRN O=C(NCCCC1CCCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421424990 192337856 /nfs/dbraw/zinc/33/78/56/192337856.db2.gz ROCTYWPXRLLZPM-ZNMIVQPWSA-N 0 0 249.398 3.509 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000421425154 192337488 /nfs/dbraw/zinc/33/74/88/192337488.db2.gz XUVKPDCCCQJCIZ-MGPQQGTHSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000421425155 192337902 /nfs/dbraw/zinc/33/79/02/192337902.db2.gz XUVKPDCCCQJCIZ-MJBXVCDLSA-N 0 0 243.350 3.678 20 0 BHADRN O=C(NCCC1CCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421426656 192337754 /nfs/dbraw/zinc/33/77/54/192337754.db2.gz JKVDREBPENRHCW-RBSFLKMASA-N 0 0 249.398 3.509 20 0 BHADRN O=C(NCCC1CCCCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421426659 192337918 /nfs/dbraw/zinc/33/79/18/192337918.db2.gz JKVDREBPENRHCW-ZNMIVQPWSA-N 0 0 249.398 3.509 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000421427561 192337591 /nfs/dbraw/zinc/33/75/91/192337591.db2.gz ZLYDJBTYJZURLN-IJLUTSLNSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC000421427563 192337703 /nfs/dbraw/zinc/33/77/03/192337703.db2.gz ZLYDJBTYJZURLN-TUAOUCFPSA-N 0 0 247.313 3.509 20 0 BHADRN CCCc1ccccc1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421428716 192337512 /nfs/dbraw/zinc/33/75/12/192337512.db2.gz LSIUGRWBXHLPJD-BBRMVZONSA-N 0 0 243.350 3.768 20 0 BHADRN CCCc1ccccc1NC(=O)[C@]12C[C@H]1CCC2 ZINC000421428722 192337497 /nfs/dbraw/zinc/33/74/97/192337497.db2.gz LSIUGRWBXHLPJD-CZUORRHYSA-N 0 0 243.350 3.768 20 0 BHADRN O=C(NCCCC1CCCCC1)[C@]12C[C@H]1CCC2 ZINC000421429170 192338720 /nfs/dbraw/zinc/33/87/20/192338720.db2.gz MPOGEJLQSGDGKB-GDBMZVCRSA-N 0 0 249.398 3.653 20 0 BHADRN O=C(NCCCC1CCCCC1)[C@@]12C[C@@H]1CCC2 ZINC000421429172 192338359 /nfs/dbraw/zinc/33/83/59/192338359.db2.gz MPOGEJLQSGDGKB-HOCLYGCPSA-N 0 0 249.398 3.653 20 0 BHADRN CC(C)CCN(C(=O)[C@@H]1CC12CC2)C1CCCC1 ZINC000421429459 192338315 /nfs/dbraw/zinc/33/83/15/192338315.db2.gz IREKSZHEKAIJLH-AWEZNQCLSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)CCN(C(=O)[C@H]1CC12CC2)C1CCCC1 ZINC000421429460 192338556 /nfs/dbraw/zinc/33/85/56/192338556.db2.gz IREKSZHEKAIJLH-CQSZACIVSA-N 0 0 249.398 3.604 20 0 BHADRN CCN(C(=O)c1cccc(F)c1C)C1CCCC1 ZINC000421430053 192338257 /nfs/dbraw/zinc/33/82/57/192338257.db2.gz JCTOVGQEQZDCHD-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCC1 ZINC000421430524 192338439 /nfs/dbraw/zinc/33/84/39/192338439.db2.gz YCECHIAJDNUHAT-MGPQQGTHSA-N 0 0 249.398 3.602 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCC1 ZINC000421430525 192338081 /nfs/dbraw/zinc/33/80/81/192338081.db2.gz YCECHIAJDNUHAT-MJBXVCDLSA-N 0 0 249.398 3.602 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@@]23C[C@@H]2CCC3)c1 ZINC000421431871 192338445 /nfs/dbraw/zinc/33/84/45/192338445.db2.gz TXCAPATXMZDGGN-BBRMVZONSA-N 0 0 243.350 3.939 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@]23C[C@H]2CCC3)c1 ZINC000421431875 192338097 /nfs/dbraw/zinc/33/80/97/192338097.db2.gz TXCAPATXMZDGGN-CZUORRHYSA-N 0 0 243.350 3.939 20 0 BHADRN CCCCCN(C(=O)[C@]12C[C@H]1CCC2)C(C)C ZINC000421432629 192338213 /nfs/dbraw/zinc/33/82/13/192338213.db2.gz RALJOBZIPUCCJJ-UKRRQHHQSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCN(C(=O)[C@@]12C[C@@H]1CCC2)C(C)C ZINC000421432630 192338280 /nfs/dbraw/zinc/33/82/80/192338280.db2.gz RALJOBZIPUCCJJ-ZFWWWQNUSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421433801 192339210 /nfs/dbraw/zinc/33/92/10/192339210.db2.gz SFGVRFLFEVUVNN-RYPNDVFKSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421433802 192339220 /nfs/dbraw/zinc/33/92/20/192339220.db2.gz SFGVRFLFEVUVNN-SEBNEYGDSA-N 0 0 249.398 3.508 20 0 BHADRN CN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCCC1 ZINC000421434496 192338839 /nfs/dbraw/zinc/33/88/39/192338839.db2.gz QVIQCRHNMGCJMW-MGPQQGTHSA-N 0 0 249.398 3.604 20 0 BHADRN CN(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCCC1 ZINC000421434497 192339253 /nfs/dbraw/zinc/33/92/53/192339253.db2.gz QVIQCRHNMGCJMW-MJBXVCDLSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)CN(C(=O)[C@@]12C[C@@H]1CCC2)C1CCCC1 ZINC000421434956 192338958 /nfs/dbraw/zinc/33/89/58/192338958.db2.gz NNIIVBCMXIMWSX-BBRMVZONSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)CN(C(=O)[C@]12C[C@H]1CCC2)C1CCCC1 ZINC000421434960 192339010 /nfs/dbraw/zinc/33/90/10/192339010.db2.gz NNIIVBCMXIMWSX-CZUORRHYSA-N 0 0 249.398 3.604 20 0 BHADRN CCCCN(C(=O)c1cccc(F)c1C)C1CC1 ZINC000421435640 192339132 /nfs/dbraw/zinc/33/91/32/192339132.db2.gz VWZLTGMBECNCGS-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN CCCCN(C(=O)[C@@H]1CC12CC2)C1CCCCC1 ZINC000421436081 192339022 /nfs/dbraw/zinc/33/90/22/192339022.db2.gz OJMZGEVYKWQEGH-AWEZNQCLSA-N 0 0 249.398 3.748 20 0 BHADRN CCCCN(C(=O)[C@H]1CC12CC2)C1CCCCC1 ZINC000421436082 192339207 /nfs/dbraw/zinc/33/92/07/192339207.db2.gz OJMZGEVYKWQEGH-CQSZACIVSA-N 0 0 249.398 3.748 20 0 BHADRN CCCCN(C(=O)[C@@]12C[C@@H]1CCC2)[C@H](C)CC ZINC000421436124 192339006 /nfs/dbraw/zinc/33/90/06/192339006.db2.gz OLVHVKZOXMAUHQ-IPYPFGDCSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCN(C(=O)[C@@]12C[C@@H]1CCC2)[C@@H](C)CC ZINC000421436128 192339361 /nfs/dbraw/zinc/33/93/61/192339361.db2.gz OLVHVKZOXMAUHQ-YDHLFZDLSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)[C@@]12C[C@@H]1CCC2)c1cccc(C)c1 ZINC000421436159 192339318 /nfs/dbraw/zinc/33/93/18/192339318.db2.gz OQTIPSYWRAXYCV-BBRMVZONSA-N 0 0 243.350 3.538 20 0 BHADRN CCN(C(=O)[C@]12C[C@H]1CCC2)c1cccc(C)c1 ZINC000421436161 192339020 /nfs/dbraw/zinc/33/90/20/192339020.db2.gz OQTIPSYWRAXYCV-CZUORRHYSA-N 0 0 243.350 3.538 20 0 BHADRN CCC1CCC(N(C)C(=O)[C@@]23C[C@@H]2CCC3)CC1 ZINC000421437931 192339347 /nfs/dbraw/zinc/33/93/47/192339347.db2.gz QFQZSLGDXPSJCG-HTHKGWQXSA-N 0 0 249.398 3.604 20 0 BHADRN CCC1CCC(N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000421437934 192339394 /nfs/dbraw/zinc/33/93/94/192339394.db2.gz QFQZSLGDXPSJCG-YWIABWOTSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC12CC2 ZINC000421438678 192339180 /nfs/dbraw/zinc/33/91/80/192339180.db2.gz RMTNYDFZBGFRQI-AGIUHOORSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC12CC2 ZINC000421438680 192339095 /nfs/dbraw/zinc/33/90/95/192339095.db2.gz RMTNYDFZBGFRQI-FRRDWIJNSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC12CC2 ZINC000421438681 192338848 /nfs/dbraw/zinc/33/88/48/192338848.db2.gz RMTNYDFZBGFRQI-JHJVBQTASA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC12CC2 ZINC000421438683 192339283 /nfs/dbraw/zinc/33/92/83/192339283.db2.gz RMTNYDFZBGFRQI-UPJWGTAASA-N 0 0 249.398 3.508 20 0 BHADRN Cc1c(F)cccc1C(=O)NC1(C)CCCCC1 ZINC000421441971 192339905 /nfs/dbraw/zinc/33/99/05/192339905.db2.gz FQONXWWDNRBDAD-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN CCCC1CCC(NC(=O)[C@@]23C[C@@H]2CCC3)CC1 ZINC000421446172 192340315 /nfs/dbraw/zinc/34/03/15/192340315.db2.gz QCIIDMSVORQQIV-HTHKGWQXSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000421446177 192340358 /nfs/dbraw/zinc/34/03/58/192340358.db2.gz QCIIDMSVORQQIV-YWIABWOTSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@H](NC(=O)[C@@]12C[C@@H]1CCC2)c1cccs1 ZINC000421447462 192340326 /nfs/dbraw/zinc/34/03/26/192340326.db2.gz NHPPQJZFPYXXKW-MJVIPROJSA-N 0 0 249.379 3.506 20 0 BHADRN CC(C)c1cccc(N(C)C(=O)[C@@H]2CC23CC3)c1 ZINC000421447865 192340324 /nfs/dbraw/zinc/34/03/24/192340324.db2.gz SVHFSWAKGBBZCN-AWEZNQCLSA-N 0 0 243.350 3.573 20 0 BHADRN CC(C)c1cccc(N(C)C(=O)[C@H]2CC23CC3)c1 ZINC000421447866 192340501 /nfs/dbraw/zinc/34/05/01/192340501.db2.gz SVHFSWAKGBBZCN-CQSZACIVSA-N 0 0 243.350 3.573 20 0 BHADRN CC[C@H](NC(=O)[C@]12C[C@H]1CCC2)c1cccs1 ZINC000421447916 192340509 /nfs/dbraw/zinc/34/05/09/192340509.db2.gz NHPPQJZFPYXXKW-UHIISALHSA-N 0 0 249.379 3.506 20 0 BHADRN CCC1CCC(CNC(=O)[C@@]23C[C@@H]2CCC3)CC1 ZINC000421448964 527830464 /nfs/dbraw/zinc/83/04/64/527830464.db2.gz OPAJVCBXEOELLU-UJJWPFCGSA-N 0 0 249.398 3.509 20 0 BHADRN CCC1CCC(CNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000421448968 527831696 /nfs/dbraw/zinc/83/16/96/527831696.db2.gz OPAJVCBXEOELLU-UWTIDYAISA-N 0 0 249.398 3.509 20 0 BHADRN Cc1c(F)cccc1C(=O)NC1CCCCCC1 ZINC000421448974 229151417 /nfs/dbraw/zinc/15/14/17/229151417.db2.gz IKBHRZIRDAYADU-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN CCc1cccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000421450129 387071710 /nfs/dbraw/zinc/07/17/10/387071710.db2.gz JQZNAFMRCCRQOV-MGPQQGTHSA-N 0 0 243.350 3.624 20 0 BHADRN CCc1cccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000421450130 387071757 /nfs/dbraw/zinc/07/17/57/387071757.db2.gz JQZNAFMRCCRQOV-MJBXVCDLSA-N 0 0 243.350 3.624 20 0 BHADRN CCCCC1CCC(NC(=O)[C@H]2CC23CC3)CC1 ZINC000421451041 384817066 /nfs/dbraw/zinc/81/70/66/384817066.db2.gz YPSWMAPCFBFIBC-JXQTWKCFSA-N 0 0 249.398 3.652 20 0 BHADRN CCCCC1CCC(NC(=O)[C@@H]2CC23CC3)CC1 ZINC000421451042 384818019 /nfs/dbraw/zinc/81/80/19/384818019.db2.gz YPSWMAPCFBFIBC-RUXDESIVSA-N 0 0 249.398 3.652 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421451114 387071770 /nfs/dbraw/zinc/07/17/70/387071770.db2.gz KVFVPSQJPYTDBX-MGPQQGTHSA-N 0 0 243.350 3.624 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421451115 219969888 /nfs/dbraw/zinc/96/98/88/219969888.db2.gz KVFVPSQJPYTDBX-MJBXVCDLSA-N 0 0 243.350 3.624 20 0 BHADRN CCCCN(C(=O)[C@@H]1CC12CC2)c1ccccc1 ZINC000421451484 219969843 /nfs/dbraw/zinc/96/98/43/219969843.db2.gz LBIBROXEGRKBHY-AWEZNQCLSA-N 0 0 243.350 3.620 20 0 BHADRN CCCCN(C(=O)[C@H]1CC12CC2)c1ccccc1 ZINC000421451487 384818215 /nfs/dbraw/zinc/81/82/15/384818215.db2.gz LBIBROXEGRKBHY-CQSZACIVSA-N 0 0 243.350 3.620 20 0 BHADRN CC(C)N(C(=O)[C@@]12C[C@@H]1CCC2)c1ccccc1 ZINC000421452042 192340630 /nfs/dbraw/zinc/34/06/30/192340630.db2.gz SYYRPHJZVRFRKL-BBRMVZONSA-N 0 0 243.350 3.618 20 0 BHADRN CC(C)N(C(=O)[C@]12C[C@H]1CCC2)c1ccccc1 ZINC000421452045 192341159 /nfs/dbraw/zinc/34/11/59/192341159.db2.gz SYYRPHJZVRFRKL-CZUORRHYSA-N 0 0 243.350 3.618 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421454889 192341228 /nfs/dbraw/zinc/34/12/28/192341228.db2.gz PLOICMHFAOLRRV-MGPQQGTHSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421454890 192340930 /nfs/dbraw/zinc/34/09/30/192340930.db2.gz PLOICMHFAOLRRV-MJBXVCDLSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421456657 192340759 /nfs/dbraw/zinc/34/07/59/192340759.db2.gz RCDJQTCKKSUNST-IJLUTSLNSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421456659 192340942 /nfs/dbraw/zinc/34/09/42/192340942.db2.gz RCDJQTCKKSUNST-TUAOUCFPSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421456697 192340604 /nfs/dbraw/zinc/34/06/04/192340604.db2.gz RHOBRCMUTMUKBB-HZMBPMFUSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@]12C[C@H]1CCC2 ZINC000421456699 192341557 /nfs/dbraw/zinc/34/15/57/192341557.db2.gz RHOBRCMUTMUKBB-QMTHXVAHSA-N 0 0 249.741 3.777 20 0 BHADRN CCc1cccc(CC)c1NC(=O)[C@H]1CC12CC2 ZINC000421456705 192341592 /nfs/dbraw/zinc/34/15/92/192341592.db2.gz RILHJUJEZRDXIK-CYBMUJFWSA-N 0 0 243.350 3.550 20 0 BHADRN CCc1cccc(CC)c1NC(=O)[C@@H]1CC12CC2 ZINC000421456706 192341541 /nfs/dbraw/zinc/34/15/41/192341541.db2.gz RILHJUJEZRDXIK-ZDUSSCGKSA-N 0 0 243.350 3.550 20 0 BHADRN CC(C)N(C(=O)[C@@]12C[C@@H]1CCC2)C1CCCCC1 ZINC000421457372 192341405 /nfs/dbraw/zinc/34/14/05/192341405.db2.gz ARPICCZSLQNHAK-BBRMVZONSA-N 0 0 249.398 3.746 20 0 BHADRN CC(C)N(C(=O)[C@]12C[C@H]1CCC2)C1CCCCC1 ZINC000421457374 192341946 /nfs/dbraw/zinc/34/19/46/192341946.db2.gz ARPICCZSLQNHAK-CZUORRHYSA-N 0 0 249.398 3.746 20 0 BHADRN CC1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000421457975 192341830 /nfs/dbraw/zinc/34/18/30/192341830.db2.gz BVFSMTHYGZEIFJ-NTTUHNMPSA-N 0 0 249.398 3.508 20 0 BHADRN CC1CCC(C)(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000421457976 192341477 /nfs/dbraw/zinc/34/14/77/192341477.db2.gz BVFSMTHYGZEIFJ-VAVUMJPSSA-N 0 0 249.398 3.508 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000421460195 192347022 /nfs/dbraw/zinc/34/70/22/192347022.db2.gz WCUSBTXLXIMIGL-IJLUTSLNSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000421460197 192346673 /nfs/dbraw/zinc/34/66/73/192346673.db2.gz WCUSBTXLXIMIGL-TUAOUCFPSA-N 0 0 247.313 3.509 20 0 BHADRN C[C@@H]1CCC[C@H](CCNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000421460681 192346830 /nfs/dbraw/zinc/34/68/30/192346830.db2.gz AJXHNMLCQFYGBO-IXYNUQLISA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H]1CCC[C@H](CCNC(=O)[C@@]23C[C@@H]2CCC3)C1 ZINC000421460683 192346947 /nfs/dbraw/zinc/34/69/47/192346947.db2.gz AJXHNMLCQFYGBO-NYTXWWLZSA-N 0 0 249.398 3.509 20 0 BHADRN Cc1cccc(N(C(=O)[C@@H]2CC23CC3)C(C)C)c1 ZINC000421461770 192347840 /nfs/dbraw/zinc/34/78/40/192347840.db2.gz ISOINQMZRNTSGC-AWEZNQCLSA-N 0 0 243.350 3.537 20 0 BHADRN Cc1cccc(N(C(=O)[C@H]2CC23CC3)C(C)C)c1 ZINC000421461771 192347401 /nfs/dbraw/zinc/34/74/01/192347401.db2.gz ISOINQMZRNTSGC-CQSZACIVSA-N 0 0 243.350 3.537 20 0 BHADRN C[C@@H](CCC1CCCCC1)NC(=O)[C@H]1CC12CC2 ZINC000421461881 192347647 /nfs/dbraw/zinc/34/76/47/192347647.db2.gz BXVWRKIFZBNTOJ-GXTWGEPZSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CC12CC2 ZINC000421461882 192347517 /nfs/dbraw/zinc/34/75/17/192347517.db2.gz BXVWRKIFZBNTOJ-JSGCOSHPSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H](CCC1CCCCC1)NC(=O)[C@@H]1CC12CC2 ZINC000421461883 192347457 /nfs/dbraw/zinc/34/74/57/192347457.db2.gz 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ONLVFZBZLLJSBJ-YDHLFZDLSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421485924 192344826 /nfs/dbraw/zinc/34/48/26/192344826.db2.gz PDXLLZMHTLAHKA-DVZHBHJUSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC000421485930 192344620 /nfs/dbraw/zinc/34/46/20/192344620.db2.gz PDXLLZMHTLAHKA-NFFDBFGFSA-N 0 0 249.398 3.508 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)[C@@]23C[C@@H]2CCC3)c1 ZINC000421488579 192345531 /nfs/dbraw/zinc/34/55/31/192345531.db2.gz GEHJVAJFSRGTCO-HZMBPMFUSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)[C@]23C[C@H]2CCC3)c1 ZINC000421488581 192345158 /nfs/dbraw/zinc/34/51/58/192345158.db2.gz GEHJVAJFSRGTCO-QMTHXVAHSA-N 0 0 249.741 3.777 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@@]1(C)CC1(F)F ZINC000421489803 192345316 /nfs/dbraw/zinc/34/53/16/192345316.db2.gz XASMLJWUDNZEOM-CMPLNLGQSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@]1(C)CC1(F)F ZINC000421489804 192345498 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ZINC000421491566 192345131 /nfs/dbraw/zinc/34/51/31/192345131.db2.gz PMPZFRREPSKVSV-LZWOXQAQSA-N 0 0 249.398 3.748 20 0 BHADRN CC(C)C1CCC(NC(=O)[C@@]23C[C@@H]2CCC3)CC1 ZINC000421492367 192345675 /nfs/dbraw/zinc/34/56/75/192345675.db2.gz UDKFWCNNHPGBLY-HTHKGWQXSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)C1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000421492370 192345215 /nfs/dbraw/zinc/34/52/15/192345215.db2.gz UDKFWCNNHPGBLY-YWIABWOTSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(CNC(=O)[C@H]1CC12CC2)C1CCCCC1 ZINC000421492744 192345385 /nfs/dbraw/zinc/34/53/85/192345385.db2.gz ADCAKMVBIBMNMP-CYBMUJFWSA-N 0 0 249.398 3.509 20 0 BHADRN CC(C)(CNC(=O)[C@@H]1CC12CC2)C1CCCCC1 ZINC000421492745 192345509 /nfs/dbraw/zinc/34/55/09/192345509.db2.gz ADCAKMVBIBMNMP-ZDUSSCGKSA-N 0 0 249.398 3.509 20 0 BHADRN CCc1ccc(CC)c(NC(=O)[C@H]2CC23CC3)c1 ZINC000421496302 192346323 /nfs/dbraw/zinc/34/63/23/192346323.db2.gz FHONCHYYJWQHLV-CYBMUJFWSA-N 0 0 243.350 3.550 20 0 BHADRN CCc1ccc(CC)c(NC(=O)[C@@H]2CC23CC3)c1 ZINC000421496303 192346084 /nfs/dbraw/zinc/34/60/84/192346084.db2.gz FHONCHYYJWQHLV-ZDUSSCGKSA-N 0 0 243.350 3.550 20 0 BHADRN CC1(C)CCC(CNC(=O)[C@@]23C[C@@H]2CCC3)CC1 ZINC000421496652 192345964 /nfs/dbraw/zinc/34/59/64/192345964.db2.gz NANWNPXIMHYYSY-BBRMVZONSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C)CCC(CNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000421496654 192346167 /nfs/dbraw/zinc/34/61/67/192346167.db2.gz NANWNPXIMHYYSY-CZUORRHYSA-N 0 0 249.398 3.509 20 0 BHADRN Cc1c(F)cccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421497369 192346386 /nfs/dbraw/zinc/34/63/86/192346386.db2.gz HHIRZPOMHLNIJD-IJLUTSLNSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1c(F)cccc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421497372 192345830 /nfs/dbraw/zinc/34/58/30/192345830.db2.gz HHIRZPOMHLNIJD-TUAOUCFPSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421498739 192346392 /nfs/dbraw/zinc/34/63/92/192346392.db2.gz AFQDIUXPBNGOBL-IJLUTSLNSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421498741 192346161 /nfs/dbraw/zinc/34/61/61/192346161.db2.gz AFQDIUXPBNGOBL-TUAOUCFPSA-N 0 0 247.313 3.509 20 0 BHADRN CC[C@H](C)N(C(=O)[C@@]12C[C@@H]1CCC2)[C@@H](C)CC ZINC000421499075 192346658 /nfs/dbraw/zinc/34/66/58/192346658.db2.gz ARFFDUWXWKVRPE-ABHRYQDASA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@@H](C)N(C(=O)[C@@]12C[C@@H]1CCC2)[C@@H](C)CC ZINC000421499078 192347065 /nfs/dbraw/zinc/34/70/65/192347065.db2.gz ARFFDUWXWKVRPE-XFMPKHEZSA-N 0 0 237.387 3.602 20 0 BHADRN CCC1(CNC(=O)[C@@]23C[C@@H]2CCC3)CCCCC1 ZINC000421499337 192346836 /nfs/dbraw/zinc/34/68/36/192346836.db2.gz ASRRQLKLSLCDLW-BBRMVZONSA-N 0 0 249.398 3.653 20 0 BHADRN CCC1(CNC(=O)[C@]23C[C@H]2CCC3)CCCCC1 ZINC000421499344 192346578 /nfs/dbraw/zinc/34/65/78/192346578.db2.gz ASRRQLKLSLCDLW-CZUORRHYSA-N 0 0 249.398 3.653 20 0 BHADRN CCC1(CC)CCC(NC(=O)[C@H]2CC23CC3)CC1 ZINC000421501330 192346991 /nfs/dbraw/zinc/34/69/91/192346991.db2.gz FWAGCBLEUBINIB-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CCC1(CC)CCC(NC(=O)[C@@H]2CC23CC3)CC1 ZINC000421501331 192346904 /nfs/dbraw/zinc/34/69/04/192346904.db2.gz FWAGCBLEUBINIB-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CC(NC(=O)[C@H]2CC23CC3)CC(C)(C)C1 ZINC000421502266 192346594 /nfs/dbraw/zinc/34/65/94/192346594.db2.gz FETYGHJLDXJSHE-GFCCVEGCSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CC(NC(=O)[C@@H]2CC23CC3)CC(C)(C)C1 ZINC000421502267 192346731 /nfs/dbraw/zinc/34/67/31/192346731.db2.gz FETYGHJLDXJSHE-LBPRGKRZSA-N 0 0 249.398 3.508 20 0 BHADRN CCC1(CC)CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000421503414 192351464 /nfs/dbraw/zinc/35/14/64/192351464.db2.gz IVZJYXVONIKSQN-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(CC)CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC000421503415 192351021 /nfs/dbraw/zinc/35/10/21/192351021.db2.gz IVZJYXVONIKSQN-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(Nc1ccc2ccoc2c1)[C@]12C[C@H]1CCC2 ZINC000421504167 192350904 /nfs/dbraw/zinc/35/09/04/192350904.db2.gz KFNUWQMLTAHIDP-IAQYHMDHSA-N 0 0 241.290 3.562 20 0 BHADRN O=C(Nc1ccc2ccoc2c1)[C@@]12C[C@@H]1CCC2 ZINC000421504168 192351238 /nfs/dbraw/zinc/35/12/38/192351238.db2.gz KFNUWQMLTAHIDP-NHYWBVRUSA-N 0 0 241.290 3.562 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1F ZINC000421504310 192350896 /nfs/dbraw/zinc/35/08/96/192350896.db2.gz HIJFTLDXUIBWDE-IJLUTSLNSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1F ZINC000421504313 192351127 /nfs/dbraw/zinc/35/11/27/192351127.db2.gz HIJFTLDXUIBWDE-TUAOUCFPSA-N 0 0 247.313 3.509 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421504770 192351267 /nfs/dbraw/zinc/35/12/67/192351267.db2.gz BCJWMBWWVNSOSI-KBUPBQIOSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421504775 192351303 /nfs/dbraw/zinc/35/13/03/192351303.db2.gz BCJWMBWWVNSOSI-LJISPDSOSA-N 0 0 249.398 3.604 20 0 BHADRN CN(C(=O)[C@@]12C[C@@H]1CCC2)C1CCC(C)(C)CC1 ZINC000421509792 192352119 /nfs/dbraw/zinc/35/21/19/192352119.db2.gz BPMQJPBVFOXKPC-LRDDRELGSA-N 0 0 249.398 3.604 20 0 BHADRN CN(C(=O)[C@]12C[C@H]1CCC2)C1CCC(C)(C)CC1 ZINC000421509793 192351840 /nfs/dbraw/zinc/35/18/40/192351840.db2.gz BPMQJPBVFOXKPC-MLGOLLRUSA-N 0 0 249.398 3.604 20 0 BHADRN CCCC1CCC(N(C)C(=O)[C@H]2CC23CC3)CC1 ZINC000421510061 192351820 /nfs/dbraw/zinc/35/18/20/192351820.db2.gz SLHVWLZKAUXPLH-JXQTWKCFSA-N 0 0 249.398 3.604 20 0 BHADRN CCCC1CCC(N(C)C(=O)[C@@H]2CC23CC3)CC1 ZINC000421510067 192352143 /nfs/dbraw/zinc/35/21/43/192352143.db2.gz SLHVWLZKAUXPLH-RUXDESIVSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(F)c1C ZINC000421511782 192352668 /nfs/dbraw/zinc/35/26/68/192352668.db2.gz OMZBHSGQUGWNRL-CMPLNLGQSA-N 0 0 249.329 3.537 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(F)c1C ZINC000421511785 192352595 /nfs/dbraw/zinc/35/25/95/192352595.db2.gz OMZBHSGQUGWNRL-JQWIXIFHSA-N 0 0 249.329 3.537 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(F)c1C ZINC000421511786 192352727 /nfs/dbraw/zinc/35/27/27/192352727.db2.gz OMZBHSGQUGWNRL-PWSUYJOCSA-N 0 0 249.329 3.537 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(F)c1C ZINC000421511787 192352784 /nfs/dbraw/zinc/35/27/84/192352784.db2.gz OMZBHSGQUGWNRL-ZYHUDNBSSA-N 0 0 249.329 3.537 20 0 BHADRN CC1(CNC(=O)[C@@]23C[C@@H]2CCC3)CCCCCC1 ZINC000421512769 192352586 /nfs/dbraw/zinc/35/25/86/192352586.db2.gz PHIDECPGEAZXIQ-BBRMVZONSA-N 0 0 249.398 3.653 20 0 BHADRN CC1(CNC(=O)[C@]23C[C@H]2CCC3)CCCCCC1 ZINC000421512771 192352904 /nfs/dbraw/zinc/35/29/04/192352904.db2.gz PHIDECPGEAZXIQ-CZUORRHYSA-N 0 0 249.398 3.653 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000421514615 192352906 /nfs/dbraw/zinc/35/29/06/192352906.db2.gz ZJIPQJCPCCXHQI-RYPNDVFKSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000421514616 192352741 /nfs/dbraw/zinc/35/27/41/192352741.db2.gz ZJIPQJCPCCXHQI-SEBNEYGDSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000421514676 192352536 /nfs/dbraw/zinc/35/25/36/192352536.db2.gz ZNVXJXULKMWEPQ-CRWXNKLISA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000421514679 192352575 /nfs/dbraw/zinc/35/25/75/192352575.db2.gz ZNVXJXULKMWEPQ-SYQHCUMBSA-N 0 0 249.398 3.508 20 0 BHADRN CCc1ccc(NC(=O)[C@@]23C[C@@H]2CCC3)cc1C ZINC000421514760 192352755 /nfs/dbraw/zinc/35/27/55/192352755.db2.gz RAOSMVVIWCTVNX-BBRMVZONSA-N 0 0 243.350 3.686 20 0 BHADRN CCc1ccc(NC(=O)[C@]23C[C@H]2CCC3)cc1C ZINC000421514767 192352316 /nfs/dbraw/zinc/35/23/16/192352316.db2.gz RAOSMVVIWCTVNX-CZUORRHYSA-N 0 0 243.350 3.686 20 0 BHADRN O=C(Nc1csc2ccccc12)[C@@H]1CC12CC2 ZINC000421515671 192352406 /nfs/dbraw/zinc/35/24/06/192352406.db2.gz RWQLMEFBWLCDLD-JTQLQIEISA-N 0 0 243.331 3.640 20 0 BHADRN O=C(Nc1csc2ccccc12)[C@H]1CC12CC2 ZINC000421515672 192352714 /nfs/dbraw/zinc/35/27/14/192352714.db2.gz RWQLMEFBWLCDLD-SNVBAGLBSA-N 0 0 243.331 3.640 20 0 BHADRN O=C(NCCCCC1CCCC1)[C@]12C[C@H]1CCC2 ZINC000421515845 192352656 /nfs/dbraw/zinc/35/26/56/192352656.db2.gz WVJDCKHOIVKAAP-GDBMZVCRSA-N 0 0 249.398 3.653 20 0 BHADRN O=C(NCCCCC1CCCC1)[C@@]12C[C@@H]1CCC2 ZINC000421515848 192352882 /nfs/dbraw/zinc/35/28/82/192352882.db2.gz WVJDCKHOIVKAAP-HOCLYGCPSA-N 0 0 249.398 3.653 20 0 BHADRN O=C(NCCC1=CCCCCC1)[C@]12C[C@H]1CCC2 ZINC000421517716 192353384 /nfs/dbraw/zinc/35/33/84/192353384.db2.gz NWNVEUPYIRIPEU-GDBMZVCRSA-N 0 0 247.382 3.573 20 0 BHADRN O=C(NCCC1=CCCCCC1)[C@@]12C[C@@H]1CCC2 ZINC000421517722 192353387 /nfs/dbraw/zinc/35/33/87/192353387.db2.gz NWNVEUPYIRIPEU-HOCLYGCPSA-N 0 0 247.382 3.573 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421519113 192353145 /nfs/dbraw/zinc/35/31/45/192353145.db2.gz JYHHXJSDESMJDS-CRWXNKLISA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421519665 192353447 /nfs/dbraw/zinc/35/34/47/192353447.db2.gz JYHHXJSDESMJDS-SYQHCUMBSA-N 0 0 249.398 3.508 20 0 BHADRN CCc1ccc(NC(=O)[C@@H]2CC23CC3)cc1CC ZINC000421519869 192353242 /nfs/dbraw/zinc/35/32/42/192353242.db2.gz WPLCCTNSYOVFKY-AWEZNQCLSA-N 0 0 243.350 3.550 20 0 BHADRN CCc1ccc(NC(=O)[C@H]2CC23CC3)cc1CC ZINC000421519870 192353313 /nfs/dbraw/zinc/35/33/13/192353313.db2.gz WPLCCTNSYOVFKY-CQSZACIVSA-N 0 0 243.350 3.550 20 0 BHADRN CCc1cc(NC(=O)[C@@]23C[C@@H]2CCC3)ccc1C ZINC000421520654 192353460 /nfs/dbraw/zinc/35/34/60/192353460.db2.gz XMGLLVWWAMWSKR-BBRMVZONSA-N 0 0 243.350 3.686 20 0 BHADRN CCc1cc(NC(=O)[C@]23C[C@H]2CCC3)ccc1C ZINC000421520657 192353334 /nfs/dbraw/zinc/35/33/34/192353334.db2.gz XMGLLVWWAMWSKR-CZUORRHYSA-N 0 0 243.350 3.686 20 0 BHADRN CCC(CC)(CC)CNC(=O)[C@]12C[C@H]1CCC2 ZINC000421522054 192353580 /nfs/dbraw/zinc/35/35/80/192353580.db2.gz MUTBJDKPSCZPJE-IUODEOHRSA-N 0 0 237.387 3.509 20 0 BHADRN CCC(CC)(CC)CNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421522056 192354091 /nfs/dbraw/zinc/35/40/91/192354091.db2.gz MUTBJDKPSCZPJE-WFASDCNBSA-N 0 0 237.387 3.509 20 0 BHADRN CCc1ccc(NC(=O)[C@]23C[C@H]2CCC3)cc1F ZINC000421522563 192354371 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XRVKQAGJTJVNEY-GBJTYRQASA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)=CCC[C@H](C)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421571580 192363956 /nfs/dbraw/zinc/36/39/56/192363956.db2.gz XRVKQAGJTJVNEY-XQLPTFJDSA-N 0 0 249.398 3.674 20 0 BHADRN O=C(NCC1CCCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421571967 192364482 /nfs/dbraw/zinc/36/44/82/192364482.db2.gz ZYIZTEMMINRRBF-RBSFLKMASA-N 0 0 249.398 3.509 20 0 BHADRN O=C(NCC1CCCCCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421571969 192364476 /nfs/dbraw/zinc/36/44/76/192364476.db2.gz ZYIZTEMMINRRBF-ZNMIVQPWSA-N 0 0 249.398 3.509 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000421575058 192364354 /nfs/dbraw/zinc/36/43/54/192364354.db2.gz MOVXGHHIZVOLFV-KJWHEZOQSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000421575059 192364495 /nfs/dbraw/zinc/36/44/95/192364495.db2.gz MOVXGHHIZVOLFV-RMEBNNNOSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@H](C)CNC(=O)c1cc2cccc(C)c2o1 ZINC000421576635 192354519 /nfs/dbraw/zinc/35/45/19/192354519.db2.gz CVNQFBDNAOFXBS-JTQLQIEISA-N 0 0 245.322 3.517 20 0 BHADRN CC[C@@H](C)CNC(=O)c1cc2cccc(C)c2o1 ZINC000421576636 192354687 /nfs/dbraw/zinc/35/46/87/192354687.db2.gz CVNQFBDNAOFXBS-SNVBAGLBSA-N 0 0 245.322 3.517 20 0 BHADRN CC[C@H](C)CNC(=O)c1sccc1C(C)C ZINC000421577904 192355425 /nfs/dbraw/zinc/35/54/25/192355425.db2.gz GSARIUFOZHLWIN-JTQLQIEISA-N 0 0 239.384 3.647 20 0 BHADRN CC[C@@H](C)CNC(=O)c1sccc1C(C)C ZINC000421577906 192355825 /nfs/dbraw/zinc/35/58/25/192355825.db2.gz GSARIUFOZHLWIN-SNVBAGLBSA-N 0 0 239.384 3.647 20 0 BHADRN CC[C@H](C)CNC(=O)c1cc2cc(C)ccc2o1 ZINC000421579429 192355923 /nfs/dbraw/zinc/35/59/23/192355923.db2.gz KPBUOFGMQUDWRG-JTQLQIEISA-N 0 0 245.322 3.517 20 0 BHADRN CC[C@@H](C)CNC(=O)c1cc2cc(C)ccc2o1 ZINC000421579430 192355740 /nfs/dbraw/zinc/35/57/40/192355740.db2.gz KPBUOFGMQUDWRG-SNVBAGLBSA-N 0 0 245.322 3.517 20 0 BHADRN CC[C@@H](C)CNC(=O)CC(C)(C)c1ccccc1 ZINC000421579498 192356012 /nfs/dbraw/zinc/35/60/12/192356012.db2.gz KTYVTBFVTQWIIO-CYBMUJFWSA-N 0 0 247.382 3.517 20 0 BHADRN CC[C@H](C)CNC(=O)CC(C)(C)c1ccccc1 ZINC000421579499 192355753 /nfs/dbraw/zinc/35/57/53/192355753.db2.gz KTYVTBFVTQWIIO-ZDUSSCGKSA-N 0 0 247.382 3.517 20 0 BHADRN CC[C@H](C)CNC(=O)c1oc2ccccc2c1C ZINC000421582368 192357833 /nfs/dbraw/zinc/35/78/33/192357833.db2.gz UDHFNBZSABDVNQ-JTQLQIEISA-N 0 0 245.322 3.517 20 0 BHADRN CC[C@@H](C)CNC(=O)c1oc2ccccc2c1C ZINC000421582369 192357287 /nfs/dbraw/zinc/35/72/87/192357287.db2.gz UDHFNBZSABDVNQ-SNVBAGLBSA-N 0 0 245.322 3.517 20 0 BHADRN CC[C@H](C)CNC(=O)C[C@H](CC)c1ccccc1 ZINC000421583751 192357195 /nfs/dbraw/zinc/35/71/95/192357195.db2.gz ZWNIWJCDHJBWKM-KBPBESRZSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C)CNC(=O)C[C@H](CC)c1ccccc1 ZINC000421583752 192357526 /nfs/dbraw/zinc/35/75/26/192357526.db2.gz ZWNIWJCDHJBWKM-KGLIPLIRSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@H](CC(=O)NC[C@@H](C)CC)c1ccccc1 ZINC000421583753 192357234 /nfs/dbraw/zinc/35/72/34/192357234.db2.gz ZWNIWJCDHJBWKM-UONOGXRCSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C)CNC(=O)C[C@@H](CC)c1ccccc1 ZINC000421583754 192357665 /nfs/dbraw/zinc/35/76/65/192357665.db2.gz ZWNIWJCDHJBWKM-ZIAGYGMSSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C)CNC(=O)C/C=C\c1ccc(C)cc1 ZINC000421585155 192358565 /nfs/dbraw/zinc/35/85/65/192358565.db2.gz CBUDJMCEESHYJR-CFHLNLSMSA-N 0 0 245.366 3.561 20 0 BHADRN CC[C@H](C)CNC(=O)C/C=C/c1ccc(C)cc1 ZINC000421585157 192358282 /nfs/dbraw/zinc/35/82/82/192358282.db2.gz CBUDJMCEESHYJR-GFUIURDCSA-N 0 0 245.366 3.561 20 0 BHADRN CC[C@H](C)CNC(=O)C/C=C\c1ccc(C)cc1 ZINC000421585158 192358185 /nfs/dbraw/zinc/35/81/85/192358185.db2.gz CBUDJMCEESHYJR-SZZPACECSA-N 0 0 245.366 3.561 20 0 BHADRN CC[C@@H](C)CNC(=O)C/C=C/c1ccc(C)cc1 ZINC000421585160 192358700 /nfs/dbraw/zinc/35/87/00/192358700.db2.gz CBUDJMCEESHYJR-URWSZGRFSA-N 0 0 245.366 3.561 20 0 BHADRN CC[C@@H](C)CNC(=O)CC/C=C/c1ccccc1 ZINC000421586435 192358294 /nfs/dbraw/zinc/35/82/94/192358294.db2.gz FDZWIQBCRFQEDA-DPQIITEBSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@H](C)CNC(=O)CC/C=C\c1ccccc1 ZINC000421586439 192358246 /nfs/dbraw/zinc/35/82/46/192358246.db2.gz FDZWIQBCRFQEDA-JOHMGYAOSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@H](C)CNC(=O)CC/C=C/c1ccccc1 ZINC000421586440 192358383 /nfs/dbraw/zinc/35/83/83/192358383.db2.gz FDZWIQBCRFQEDA-OIOXUXFSSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@@H](C)CNC(=O)CC/C=C\c1ccccc1 ZINC000421586441 192358338 /nfs/dbraw/zinc/35/83/38/192358338.db2.gz FDZWIQBCRFQEDA-SMJHDNPOSA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@H](C)CNC(=O)c1c(C)oc2ccccc21 ZINC000421595353 192360659 /nfs/dbraw/zinc/36/06/59/192360659.db2.gz MWQUHBFZBSSHGY-JTQLQIEISA-N 0 0 245.322 3.517 20 0 BHADRN CC[C@@H](C)CNC(=O)c1c(C)oc2ccccc21 ZINC000421595354 192360807 /nfs/dbraw/zinc/36/08/07/192360807.db2.gz MWQUHBFZBSSHGY-SNVBAGLBSA-N 0 0 245.322 3.517 20 0 BHADRN CC[C@H](C)CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC000421596619 192365091 /nfs/dbraw/zinc/36/50/91/192365091.db2.gz QQRVFWICMLRFHA-DZGCQCFKSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@@H](C)CNC(=O)[C@H](c1ccccc1)C(C)C ZINC000421596620 192365077 /nfs/dbraw/zinc/36/50/77/192365077.db2.gz QQRVFWICMLRFHA-HIFRSBDPSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@@H](C)CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC000421596621 192365129 /nfs/dbraw/zinc/36/51/29/192365129.db2.gz QQRVFWICMLRFHA-UKRRQHHQSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@H](C)CNC(=O)[C@H](c1ccccc1)C(C)C ZINC000421596622 192365428 /nfs/dbraw/zinc/36/54/28/192365428.db2.gz QQRVFWICMLRFHA-ZFWWWQNUSA-N 0 0 247.382 3.589 20 0 BHADRN CC[C@H](C)CNC(=O)C[C@@H](C)c1ccccc1C ZINC000421597384 192365933 /nfs/dbraw/zinc/36/59/33/192365933.db2.gz VEPNEROGUYCPMR-GXTWGEPZSA-N 0 0 247.382 3.651 20 0 BHADRN CC[C@H](C)CNC(=O)C[C@H](C)c1ccccc1C ZINC000421597385 192365631 /nfs/dbraw/zinc/36/56/31/192365631.db2.gz VEPNEROGUYCPMR-JSGCOSHPSA-N 0 0 247.382 3.651 20 0 BHADRN CC[C@@H](C)CNC(=O)C[C@H](C)c1ccccc1C ZINC000421597386 192366100 /nfs/dbraw/zinc/36/61/00/192366100.db2.gz VEPNEROGUYCPMR-OCCSQVGLSA-N 0 0 247.382 3.651 20 0 BHADRN CC[C@@H](C)CNC(=O)C[C@@H](C)c1ccccc1C ZINC000421597387 192365796 /nfs/dbraw/zinc/36/57/96/192365796.db2.gz VEPNEROGUYCPMR-TZMCWYRMSA-N 0 0 247.382 3.651 20 0 BHADRN CC[C@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC000421598157 192367066 /nfs/dbraw/zinc/36/70/66/192367066.db2.gz YXPAXKWNASDPHL-KBPBESRZSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC000421598158 192366632 /nfs/dbraw/zinc/36/66/32/192366632.db2.gz YXPAXKWNASDPHL-KGLIPLIRSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC000421598159 192366945 /nfs/dbraw/zinc/36/69/45/192366945.db2.gz YXPAXKWNASDPHL-UONOGXRCSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC000421598160 192366799 /nfs/dbraw/zinc/36/67/99/192366799.db2.gz YXPAXKWNASDPHL-ZIAGYGMSSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C)CNC(=O)C1(CC)CCCCC1 ZINC000421598237 192367231 /nfs/dbraw/zinc/36/72/31/192367231.db2.gz ZGXSHCAXKORGOB-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@H](C)CNC(=O)C1(CC)CCCCC1 ZINC000421598238 192366686 /nfs/dbraw/zinc/36/66/86/192366686.db2.gz ZGXSHCAXKORGOB-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN O=C(C1=CCCCC1)N1CC[C@H](C2CCCC2)C1 ZINC000421644913 192367327 /nfs/dbraw/zinc/36/73/27/192367327.db2.gz GDKVTVVJIVVFCK-HNNXBMFYSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(C1=CCCCC1)N1CC[C@@H](C2CCCC2)C1 ZINC000421644914 192367372 /nfs/dbraw/zinc/36/73/72/192367372.db2.gz GDKVTVVJIVVFCK-OAHLLOKOSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(CCC1CCC1)N1CC[C@H](C2CCCC2)C1 ZINC000421645706 192367784 /nfs/dbraw/zinc/36/77/84/192367784.db2.gz KREQPDYOVPATHA-HNNXBMFYSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(CCC1CCC1)N1CC[C@@H](C2CCCC2)C1 ZINC000421645707 192367361 /nfs/dbraw/zinc/36/73/61/192367361.db2.gz KREQPDYOVPATHA-OAHLLOKOSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C(=O)N2CC[C@H](C3CCCC3)C2)CCC1 ZINC000421645820 192367584 /nfs/dbraw/zinc/36/75/84/192367584.db2.gz LEZJLIHVLXBACO-AWEZNQCLSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C(=O)N2CC[C@@H](C3CCCC3)C2)CCC1 ZINC000421645821 192367519 /nfs/dbraw/zinc/36/75/19/192367519.db2.gz LEZJLIHVLXBACO-CQSZACIVSA-N 0 0 249.398 3.605 20 0 BHADRN CC1=C(C(=O)N2CC[C@H](C3CCCC3)C2)CCC1 ZINC000421646698 192367415 /nfs/dbraw/zinc/36/74/15/192367415.db2.gz PZENAYUPPWRXHG-AWEZNQCLSA-N 0 0 247.382 3.526 20 0 BHADRN CC1=C(C(=O)N2CC[C@@H](C3CCCC3)C2)CCC1 ZINC000421646699 192367368 /nfs/dbraw/zinc/36/73/68/192367368.db2.gz PZENAYUPPWRXHG-CQSZACIVSA-N 0 0 247.382 3.526 20 0 BHADRN CCCC1(C(=O)N2CC[C@H](C3CCCC3)C2)CC1 ZINC000421647095 192367463 /nfs/dbraw/zinc/36/74/63/192367463.db2.gz SHJDKSAMUBVSDC-AWEZNQCLSA-N 0 0 249.398 3.605 20 0 BHADRN CCCC1(C(=O)N2CC[C@@H](C3CCCC3)C2)CC1 ZINC000421647096 192367952 /nfs/dbraw/zinc/36/79/52/192367952.db2.gz SHJDKSAMUBVSDC-CQSZACIVSA-N 0 0 249.398 3.605 20 0 BHADRN CCCCCC(=O)N1CC[C@H](C2CCCC2)C1 ZINC000421650362 192368153 /nfs/dbraw/zinc/36/81/53/192368153.db2.gz GZGCOSXBNNJXKS-AWEZNQCLSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCC(=O)N1CC[C@@H](C2CCCC2)C1 ZINC000421650363 192368116 /nfs/dbraw/zinc/36/81/16/192368116.db2.gz GZGCOSXBNNJXKS-CQSZACIVSA-N 0 0 237.387 3.605 20 0 BHADRN CC1(C(=O)N2CC[C@H](C3CCCC3)C2)CCCC1 ZINC000421654027 387292745 /nfs/dbraw/zinc/29/27/45/387292745.db2.gz KJDPOMQCKQEPJX-AWEZNQCLSA-N 0 0 249.398 3.605 20 0 BHADRN CC1(C(=O)N2CC[C@@H](C3CCCC3)C2)CCCC1 ZINC000421654028 387293031 /nfs/dbraw/zinc/29/30/31/387293031.db2.gz KJDPOMQCKQEPJX-CQSZACIVSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(C1CCCCC1)N1CC[C@H](C2CCCC2)C1 ZINC000421655633 192371261 /nfs/dbraw/zinc/37/12/61/192371261.db2.gz OACRSHNZRJFVMW-HNNXBMFYSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(C1CCCCC1)N1CC[C@@H](C2CCCC2)C1 ZINC000421655634 192371273 /nfs/dbraw/zinc/37/12/73/192371273.db2.gz OACRSHNZRJFVMW-OAHLLOKOSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(CC1CCCC1)N1CC[C@H](C2CCCC2)C1 ZINC000421658042 192371211 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/nfs/dbraw/zinc/37/66/66/192376666.db2.gz KMEYNASNECWYIJ-LLVKDONJSA-N 0 0 239.384 3.702 20 0 BHADRN CC(C)C(=O)N(C(C)C)[C@@H](C)c1ccsc1 ZINC000421689653 192376504 /nfs/dbraw/zinc/37/65/04/192376504.db2.gz KMEYNASNECWYIJ-NSHDSACASA-N 0 0 239.384 3.702 20 0 BHADRN CCCC(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000421724184 200850558 /nfs/dbraw/zinc/85/05/58/200850558.db2.gz ZYIFDVXXHNFYMH-AWEZNQCLSA-N 0 0 245.366 3.581 20 0 BHADRN CCCC(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC000421724185 200850530 /nfs/dbraw/zinc/85/05/30/200850530.db2.gz ZYIFDVXXHNFYMH-CQSZACIVSA-N 0 0 245.366 3.581 20 0 BHADRN CCCc1[nH]ccc1C(=O)Nc1ccc(C)cc1 ZINC000421737431 192377471 /nfs/dbraw/zinc/37/74/71/192377471.db2.gz KMMXULWCRUAPBR-UHFFFAOYSA-N 0 0 242.322 3.528 20 0 BHADRN CCCc1[nH]ccc1C(=O)Nc1ccccc1C ZINC000421738554 192377639 /nfs/dbraw/zinc/37/76/39/192377639.db2.gz UGKXRMSTNCVRHG-UHFFFAOYSA-N 0 0 242.322 3.528 20 0 BHADRN CCCc1[nH]ccc1C(=O)Nc1cccc(C)c1 ZINC000421738744 192377482 /nfs/dbraw/zinc/37/74/82/192377482.db2.gz 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VYVXRPPESNQORP-OCCSQVGLSA-N 0 0 236.380 3.796 20 0 BHADRN Cc1ccccc1CS[C@@H]1CCO[C@H](C)C1 ZINC000421822148 398145248 /nfs/dbraw/zinc/14/52/48/398145248.db2.gz VYVXRPPESNQORP-TZMCWYRMSA-N 0 0 236.380 3.796 20 0 BHADRN C[C@@H]1C[C@H](Sc2ccccc2Cl)CCO1 ZINC000421824027 398145992 /nfs/dbraw/zinc/14/59/92/398145992.db2.gz GQCSDPINTIILLT-NXEZZACHSA-N 0 0 242.771 4.000 20 0 BHADRN C[C@@H]1C[C@@H](Sc2ccccc2Cl)CCO1 ZINC000421824028 388887962 /nfs/dbraw/zinc/88/79/62/388887962.db2.gz GQCSDPINTIILLT-ZJUUUORDSA-N 0 0 242.771 4.000 20 0 BHADRN C[C@@H]1C[C@@H](SC2CCCCC2)CCO1 ZINC000421825414 192386621 /nfs/dbraw/zinc/38/66/21/192386621.db2.gz NMBCKYBRMZBCDO-PWSUYJOCSA-N 0 0 214.374 3.620 20 0 BHADRN C[C@@H]1C[C@H](SC2CCCCC2)CCO1 ZINC000421825415 192386929 /nfs/dbraw/zinc/38/69/29/192386929.db2.gz NMBCKYBRMZBCDO-ZYHUDNBSSA-N 0 0 214.374 3.620 20 0 BHADRN C[C@@H]1C[C@H](Sc2ccc(Cl)cc2)CCO1 ZINC000421826013 192386420 /nfs/dbraw/zinc/38/64/20/192386420.db2.gz QNPNTHOOIOINGE-BXKDBHETSA-N 0 0 242.771 4.000 20 0 BHADRN C[C@@H]1C[C@@H](Sc2ccc(Cl)cc2)CCO1 ZINC000421826014 192387269 /nfs/dbraw/zinc/38/72/69/192387269.db2.gz QNPNTHOOIOINGE-SKDRFNHKSA-N 0 0 242.771 4.000 20 0 BHADRN Cc1ccc(S[C@@H]2CCO[C@H](C)C2)cc1 ZINC000421827337 192386724 /nfs/dbraw/zinc/38/67/24/192386724.db2.gz XGSHXJJOUMBFKF-DGCLKSJQSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccc(S[C@H]2CCO[C@H](C)C2)cc1 ZINC000421827338 192387297 /nfs/dbraw/zinc/38/72/97/192387297.db2.gz XGSHXJJOUMBFKF-YPMHNXCESA-N 0 0 222.353 3.655 20 0 BHADRN Cc1cnccc1CCSCc1ccccc1 ZINC000421827432 192386550 /nfs/dbraw/zinc/38/65/50/192386550.db2.gz XQDNXFAFFZHDIX-UHFFFAOYSA-N 0 0 243.375 3.866 20 0 BHADRN COC1([C@@H](C)Nc2ccc(C)cc2)CCCC1 ZINC000421830859 192387658 /nfs/dbraw/zinc/38/76/58/192387658.db2.gz CVGLVYLJRBEXKV-CYBMUJFWSA-N 0 0 233.355 3.755 20 0 BHADRN COC1([C@H](C)Nc2ccc(C)cc2)CCCC1 ZINC000421830864 192388384 /nfs/dbraw/zinc/38/83/84/192388384.db2.gz CVGLVYLJRBEXKV-ZDUSSCGKSA-N 0 0 233.355 3.755 20 0 BHADRN C[C@@H]1C[C@H](SCC2CCCCC2)CCO1 ZINC000421832591 206026563 /nfs/dbraw/zinc/02/65/63/206026563.db2.gz GMYPSPPKZVICDA-DGCLKSJQSA-N 0 0 228.401 3.867 20 0 BHADRN C[C@@H]1C[C@@H](SCC2CCCCC2)CCO1 ZINC000421832594 206026507 /nfs/dbraw/zinc/02/65/07/206026507.db2.gz GMYPSPPKZVICDA-YPMHNXCESA-N 0 0 228.401 3.867 20 0 BHADRN Cc1cnccc1CCS[C@H](C)C(C)C ZINC000421833145 192390828 /nfs/dbraw/zinc/39/08/28/192390828.db2.gz IGVIBRCBLYCOBG-GFCCVEGCSA-N 0 0 223.385 3.710 20 0 BHADRN Cc1cnccc1CCS[C@@H](C)C(C)C ZINC000421833147 192391291 /nfs/dbraw/zinc/39/12/91/192391291.db2.gz IGVIBRCBLYCOBG-LBPRGKRZSA-N 0 0 223.385 3.710 20 0 BHADRN Cc1cccc(CS[C@H]2CCO[C@H](C)C2)c1 ZINC000421833444 192391206 /nfs/dbraw/zinc/39/12/06/192391206.db2.gz ANTAGHINPMGHKU-OCCSQVGLSA-N 0 0 236.380 3.796 20 0 BHADRN Cc1cccc(CS[C@@H]2CCO[C@H](C)C2)c1 ZINC000421833446 192391414 /nfs/dbraw/zinc/39/14/14/192391414.db2.gz ANTAGHINPMGHKU-TZMCWYRMSA-N 0 0 236.380 3.796 20 0 BHADRN COC1([C@@H](C)Nc2ccc(C)nc2)CCCCC1 ZINC000421834078 192391395 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GOVAAEBODYRPSJ-UHFFFAOYSA-N 0 0 244.363 3.581 20 0 BHADRN C[C@@H]1C[C@H](Sc2cccc(Cl)c2)CCO1 ZINC000421836663 192391613 /nfs/dbraw/zinc/39/16/13/192391613.db2.gz PBABZKQNUCZAOO-BXKDBHETSA-N 0 0 242.771 4.000 20 0 BHADRN C[C@@H]1C[C@@H](Sc2cccc(Cl)c2)CCO1 ZINC000421836664 192391498 /nfs/dbraw/zinc/39/14/98/192391498.db2.gz PBABZKQNUCZAOO-SKDRFNHKSA-N 0 0 242.771 4.000 20 0 BHADRN c1cc(CSc2ccc3c(c2)CCCC3)n[nH]1 ZINC000421836799 192391577 /nfs/dbraw/zinc/39/15/77/192391577.db2.gz HSMCLTBUXXHYHJ-UHFFFAOYSA-N 0 0 244.363 3.581 20 0 BHADRN COC1([C@@H](C)Nc2cccc(C)c2)CCCC1 ZINC000421836898 192391297 /nfs/dbraw/zinc/39/12/97/192391297.db2.gz PLQIVRXQCPSFGY-CYBMUJFWSA-N 0 0 233.355 3.755 20 0 BHADRN COC1([C@H](C)Nc2cccc(C)c2)CCCC1 ZINC000421836900 192391525 /nfs/dbraw/zinc/39/15/25/192391525.db2.gz PLQIVRXQCPSFGY-ZDUSSCGKSA-N 0 0 233.355 3.755 20 0 BHADRN COC1([C@@H](C)Nc2cc(C)ccn2)CCCCC1 ZINC000421836954 192391041 /nfs/dbraw/zinc/39/10/41/192391041.db2.gz PRLJPVNHIFWWBV-CYBMUJFWSA-N 0 0 248.370 3.540 20 0 BHADRN COC1([C@H](C)Nc2cc(C)ccn2)CCCCC1 ZINC000421836956 192391487 /nfs/dbraw/zinc/39/14/87/192391487.db2.gz PRLJPVNHIFWWBV-ZDUSSCGKSA-N 0 0 248.370 3.540 20 0 BHADRN C[C@@H]1C[C@@H](Sc2ccc3c(c2)CCC3)CCO1 ZINC000421838572 192392398 /nfs/dbraw/zinc/39/23/98/192392398.db2.gz VNYFVNAFYRTUJJ-ABAIWWIYSA-N 0 0 248.391 3.835 20 0 BHADRN C[C@@H]1C[C@H](Sc2ccc3c(c2)CCC3)CCO1 ZINC000421838573 192392359 /nfs/dbraw/zinc/39/23/59/192392359.db2.gz VNYFVNAFYRTUJJ-IAQYHMDHSA-N 0 0 248.391 3.835 20 0 BHADRN Cc1ccc(C)c(S[C@@H]2CCO[C@H](C)C2)c1 ZINC000421838845 192392497 /nfs/dbraw/zinc/39/24/97/192392497.db2.gz VXEHOBRJXOCWIQ-CHWSQXEVSA-N 0 0 236.380 3.963 20 0 BHADRN Cc1ccc(C)c(S[C@H]2CCO[C@H](C)C2)c1 ZINC000421838846 192391891 /nfs/dbraw/zinc/39/18/91/192391891.db2.gz VXEHOBRJXOCWIQ-OLZOCXBDSA-N 0 0 236.380 3.963 20 0 BHADRN COC1([C@@H](C)Nc2cccc(F)c2)CCCC1 ZINC000421838978 192392712 /nfs/dbraw/zinc/39/27/12/192392712.db2.gz WDICTUZNMQZXOB-LLVKDONJSA-N 0 0 237.318 3.585 20 0 BHADRN COC1([C@H](C)Nc2cccc(F)c2)CCCC1 ZINC000421838979 192392127 /nfs/dbraw/zinc/39/21/27/192392127.db2.gz WDICTUZNMQZXOB-NSHDSACASA-N 0 0 237.318 3.585 20 0 BHADRN CC(C)CCCS[C@@H]1CCO[C@@H](C)C1 ZINC000421838980 192392286 /nfs/dbraw/zinc/39/22/86/192392286.db2.gz WDSGYBGFQFIPMI-NWDGAFQWSA-N 0 0 216.390 3.723 20 0 BHADRN Cc1ccc(S[C@@H]2CCO[C@H](C)C2)c(C)c1 ZINC000421839550 411914269 /nfs/dbraw/zinc/91/42/69/411914269.db2.gz XNGJLGWUMAZFMV-CHWSQXEVSA-N 0 0 236.380 3.963 20 0 BHADRN Cc1ccc(S[C@H]2CCO[C@H](C)C2)c(C)c1 ZINC000421839551 192392212 /nfs/dbraw/zinc/39/22/12/192392212.db2.gz XNGJLGWUMAZFMV-OLZOCXBDSA-N 0 0 236.380 3.963 20 0 BHADRN CCC[C@@H](CC)S[C@@H]1CCO[C@@H](C)C1 ZINC000421840742 192392505 /nfs/dbraw/zinc/39/25/05/192392505.db2.gz JAPGRXHCWICEEK-QJPTWQEYSA-N 0 0 216.390 3.866 20 0 BHADRN CCC[C@H](CC)S[C@@H]1CCO[C@@H](C)C1 ZINC000421840744 192392342 /nfs/dbraw/zinc/39/23/42/192392342.db2.gz JAPGRXHCWICEEK-SDDRHHMPSA-N 0 0 216.390 3.866 20 0 BHADRN C[C@@H]1C[C@H](Sc2cc(F)ccc2F)CCO1 ZINC000421841074 192392317 /nfs/dbraw/zinc/39/23/17/192392317.db2.gz IBOCOERWVMXLDA-PSASIEDQSA-N 0 0 244.306 3.624 20 0 BHADRN C[C@@H]1C[C@@H](Sc2cc(F)ccc2F)CCO1 ZINC000421841075 192392012 /nfs/dbraw/zinc/39/20/12/192392012.db2.gz IBOCOERWVMXLDA-SCZZXKLOSA-N 0 0 244.306 3.624 20 0 BHADRN O[C@H]1C[C@@H](CSCc2ccccc2C2CC2)C1 ZINC000421841316 192392256 /nfs/dbraw/zinc/39/22/56/192392256.db2.gz KDJMVRHUFRFDAN-VDISTLRHSA-N 0 0 248.391 3.568 20 0 BHADRN Cc1cnccc1CCSCCC(F)(F)F ZINC000421841512 192391862 /nfs/dbraw/zinc/39/18/62/192391862.db2.gz KQRDQZLARORSON-UHFFFAOYSA-N 0 0 249.301 3.618 20 0 BHADRN c1cnn(CSc2ccc3c(c2)CCCC3)c1 ZINC000421842340 192392064 /nfs/dbraw/zinc/39/20/64/192392064.db2.gz NPUDWBOJOXBTGY-UHFFFAOYSA-N 0 0 244.363 3.512 20 0 BHADRN CC(C)c1ccc(SC[C@H]2C[C@@H](O)C2)cc1 ZINC000421842587 192392511 /nfs/dbraw/zinc/39/25/11/192392511.db2.gz LLNBFCIRBMAVEM-BJHJDKERSA-N 0 0 236.380 3.673 20 0 BHADRN Cc1ccccc1S[C@H]1CCO[C@H](C)C1 ZINC000421843573 192392654 /nfs/dbraw/zinc/39/26/54/192392654.db2.gz MXWVVWYTKMAFMA-NEPJUHHUSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccccc1S[C@@H]1CCO[C@H](C)C1 ZINC000421843574 192392668 /nfs/dbraw/zinc/39/26/68/192392668.db2.gz MXWVVWYTKMAFMA-VXGBXAGGSA-N 0 0 222.353 3.655 20 0 BHADRN c1cc(CSc2ccc3c(c2)CCCC3)no1 ZINC000421845047 192393412 /nfs/dbraw/zinc/39/34/12/192393412.db2.gz VRQHCJPIBNJELU-UHFFFAOYSA-N 0 0 245.347 3.846 20 0 BHADRN Cc1cccc(S[C@@H]2CCO[C@H](C)C2)c1 ZINC000421845418 192393522 /nfs/dbraw/zinc/39/35/22/192393522.db2.gz QDHDFDOSWWRPPI-DGCLKSJQSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1cccc(S[C@H]2CCO[C@H](C)C2)c1 ZINC000421845419 192393828 /nfs/dbraw/zinc/39/38/28/192393828.db2.gz QDHDFDOSWWRPPI-YPMHNXCESA-N 0 0 222.353 3.655 20 0 BHADRN c1cc2c(cc1SC1CCOCC1)CCCC2 ZINC000421845764 192393780 /nfs/dbraw/zinc/39/37/80/192393780.db2.gz XSWORNITBLYBLM-UHFFFAOYSA-N 0 0 248.391 3.837 20 0 BHADRN O[C@H]1C[C@@H](CS[C@H]2CCCc3ccccc32)C1 ZINC000421846540 192393501 /nfs/dbraw/zinc/39/35/01/192393501.db2.gz SWLNQZDDNFBOIA-LNSITVRQSA-N 0 0 248.391 3.568 20 0 BHADRN O[C@H]1C[C@@H](CS[C@@H]2CCCc3ccccc32)C1 ZINC000421846541 192393576 /nfs/dbraw/zinc/39/35/76/192393576.db2.gz SWLNQZDDNFBOIA-OSAQELSMSA-N 0 0 248.391 3.568 20 0 BHADRN C[C@@H]1C[C@H](Sc2ccc(F)cc2F)CCO1 ZINC000421846882 192393804 /nfs/dbraw/zinc/39/38/04/192393804.db2.gz VAVIWJPQKICKFZ-PSASIEDQSA-N 0 0 244.306 3.624 20 0 BHADRN C[C@@H]1C[C@@H](Sc2ccc(F)cc2F)CCO1 ZINC000421846883 192393826 /nfs/dbraw/zinc/39/38/26/192393826.db2.gz VAVIWJPQKICKFZ-SCZZXKLOSA-N 0 0 244.306 3.624 20 0 BHADRN C[C@@H]1C[C@H](Sc2ccc(F)c(F)c2)CCO1 ZINC000421847224 192393444 /nfs/dbraw/zinc/39/34/44/192393444.db2.gz WNJQXWJANYYWIG-PSASIEDQSA-N 0 0 244.306 3.624 20 0 BHADRN C[C@@H]1C[C@@H](Sc2ccc(F)c(F)c2)CCO1 ZINC000421847225 192393830 /nfs/dbraw/zinc/39/38/30/192393830.db2.gz WNJQXWJANYYWIG-SCZZXKLOSA-N 0 0 244.306 3.624 20 0 BHADRN CC(=O)[C@@H](C)Sc1ccc2c(c1)CCCC2 ZINC000421858654 192390160 /nfs/dbraw/zinc/39/01/60/192390160.db2.gz RSQOUMRJGFIAPF-LLVKDONJSA-N 0 0 234.364 3.635 20 0 BHADRN CC(=O)[C@H](C)Sc1ccc2c(c1)CCCC2 ZINC000421858658 192390242 /nfs/dbraw/zinc/39/02/42/192390242.db2.gz RSQOUMRJGFIAPF-NSHDSACASA-N 0 0 234.364 3.635 20 0 BHADRN CCC1(CC)CCN(C(=O)[C@@]23C[C@@H]2CCC3)CC1 ZINC000421861741 192395843 /nfs/dbraw/zinc/39/58/43/192395843.db2.gz IJLBBHSZRUJYHR-BBRMVZONSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(CC)CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000421861753 192396277 /nfs/dbraw/zinc/39/62/77/192396277.db2.gz IJLBBHSZRUJYHR-CZUORRHYSA-N 0 0 249.398 3.605 20 0 BHADRN CCC(=O)CSc1ccc2c(c1)CCCC2 ZINC000421864413 192396011 /nfs/dbraw/zinc/39/60/11/192396011.db2.gz ZLZWBCKAIGMXAR-UHFFFAOYSA-N 0 0 234.364 3.637 20 0 BHADRN CCC[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCC1 ZINC000421902091 192402989 /nfs/dbraw/zinc/40/29/89/192402989.db2.gz SXVJROJEPYMLSS-TUVASFSCSA-N 0 0 249.398 3.508 20 0 BHADRN CCC[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C1CCC1 ZINC000421902093 192403371 /nfs/dbraw/zinc/40/33/71/192403371.db2.gz SXVJROJEPYMLSS-XGUBFFRZSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@]12C[C@H]1CCC[C@@H]2Nc1ccc2c(c1)CCN2 ZINC000423204316 387988979 /nfs/dbraw/zinc/98/89/79/387988979.db2.gz ACZVUUWAEGJFTG-KCXAZCMYSA-N 0 0 242.366 3.645 20 0 BHADRN C[C@]12C[C@H]1CCC[C@H]2Nc1ccc2c(c1)CCN2 ZINC000423204319 387988904 /nfs/dbraw/zinc/98/89/04/387988904.db2.gz ACZVUUWAEGJFTG-WQVCFCJDSA-N 0 0 242.366 3.645 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCN2)C1CCCC1 ZINC000423204391 387989149 /nfs/dbraw/zinc/98/91/49/387989149.db2.gz AMVMDAFMGATELZ-LLVKDONJSA-N 0 0 230.355 3.645 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCN2)C1CCCC1 ZINC000423204392 387989013 /nfs/dbraw/zinc/98/90/13/387989013.db2.gz AMVMDAFMGATELZ-NSHDSACASA-N 0 0 230.355 3.645 20 0 BHADRN CCCC[C@@H](C)Nc1ccc2c(c1)CCN2 ZINC000423204871 387989259 /nfs/dbraw/zinc/98/92/59/387989259.db2.gz ARDYTLHBMHQCMF-LLVKDONJSA-N 0 0 218.344 3.645 20 0 BHADRN CCCC[C@H](C)Nc1ccc2c(c1)CCN2 ZINC000423204873 387990204 /nfs/dbraw/zinc/99/02/04/387990204.db2.gz ARDYTLHBMHQCMF-NSHDSACASA-N 0 0 218.344 3.645 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ccc3c(c2)CCN3)C1 ZINC000423205764 387990960 /nfs/dbraw/zinc/99/09/60/387990960.db2.gz BKEILWHEJOZUPB-AAEUAGOBSA-N 0 0 230.355 3.645 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCN3)C1 ZINC000423205765 387991553 /nfs/dbraw/zinc/99/15/53/387991553.db2.gz BKEILWHEJOZUPB-DGCLKSJQSA-N 0 0 230.355 3.645 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCN3)C1 ZINC000423205766 387991111 /nfs/dbraw/zinc/99/11/11/387991111.db2.gz BKEILWHEJOZUPB-WCQYABFASA-N 0 0 230.355 3.645 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCN3)C1 ZINC000423205767 387991069 /nfs/dbraw/zinc/99/10/69/387991069.db2.gz BKEILWHEJOZUPB-YPMHNXCESA-N 0 0 230.355 3.645 20 0 BHADRN c1cc(N[C@H]2CCCC23CCC3)cc2c1NCC2 ZINC000423205772 387991901 /nfs/dbraw/zinc/99/19/01/387991901.db2.gz BKHMBDOETHNSTD-HNNXBMFYSA-N 0 0 242.366 3.789 20 0 BHADRN c1cc(N[C@@H]2CCCC23CCC3)cc2c1NCC2 ZINC000423205773 387991822 /nfs/dbraw/zinc/99/18/22/387991822.db2.gz BKHMBDOETHNSTD-OAHLLOKOSA-N 0 0 242.366 3.789 20 0 BHADRN c1cc(N[C@@H]2CCC[C@@H]2C2CC2)cc2c1NCC2 ZINC000423206312 387992124 /nfs/dbraw/zinc/99/21/24/387992124.db2.gz BSQKSQFCCCASMP-GDBMZVCRSA-N 0 0 242.366 3.645 20 0 BHADRN c1cc(N[C@@H]2CCC[C@H]2C2CC2)cc2c1NCC2 ZINC000423206314 387990843 /nfs/dbraw/zinc/99/08/43/387990843.db2.gz BSQKSQFCCCASMP-GOEBONIOSA-N 0 0 242.366 3.645 20 0 BHADRN c1cc(N[C@H]2CCC[C@H]2C2CC2)cc2c1NCC2 ZINC000423206316 387992192 /nfs/dbraw/zinc/99/21/92/387992192.db2.gz BSQKSQFCCCASMP-HOCLYGCPSA-N 0 0 242.366 3.645 20 0 BHADRN c1cc(N[C@H]2CCC[C@@H]2C2CC2)cc2c1NCC2 ZINC000423206319 387991445 /nfs/dbraw/zinc/99/14/45/387991445.db2.gz BSQKSQFCCCASMP-ZBFHGGJFSA-N 0 0 242.366 3.645 20 0 BHADRN c1cc(N[C@H](C2CC2)C2CCC2)cc2c1NCC2 ZINC000423206828 387991535 /nfs/dbraw/zinc/99/15/35/387991535.db2.gz CEBRJRHOBZLYCW-INIZCTEOSA-N 0 0 242.366 3.645 20 0 BHADRN c1cc(N[C@@H](C2CC2)C2CCC2)cc2c1NCC2 ZINC000423206829 387991673 /nfs/dbraw/zinc/99/16/73/387991673.db2.gz CEBRJRHOBZLYCW-MRXNPFEDSA-N 0 0 242.366 3.645 20 0 BHADRN C[C@H](CCC1CC1)Nc1ccc2c(c1)CCN2 ZINC000423208144 387992659 /nfs/dbraw/zinc/99/26/59/387992659.db2.gz DDNKRNACUQFUKT-LLVKDONJSA-N 0 0 230.355 3.645 20 0 BHADRN C[C@@H](CCC1CC1)Nc1ccc2c(c1)CCN2 ZINC000423208145 387993909 /nfs/dbraw/zinc/99/39/09/387993909.db2.gz DDNKRNACUQFUKT-NSHDSACASA-N 0 0 230.355 3.645 20 0 BHADRN c1cc(N[C@H]2CCC23CCCC3)cc2c1NCC2 ZINC000423208746 387993884 /nfs/dbraw/zinc/99/38/84/387993884.db2.gz DOYXOKZPHMFMQS-HNNXBMFYSA-N 0 0 242.366 3.789 20 0 BHADRN c1cc(N[C@@H]2CCC23CCCC3)cc2c1NCC2 ZINC000423208747 387993664 /nfs/dbraw/zinc/99/36/64/387993664.db2.gz DOYXOKZPHMFMQS-OAHLLOKOSA-N 0 0 242.366 3.789 20 0 BHADRN CCC[C@@H](CC)Nc1ccc2c(c1)CCN2 ZINC000423209427 387994123 /nfs/dbraw/zinc/99/41/23/387994123.db2.gz FIDDHWCKUKMUSU-GFCCVEGCSA-N 0 0 218.344 3.645 20 0 BHADRN CCC[C@H](CC)Nc1ccc2c(c1)CCN2 ZINC000423209428 387993982 /nfs/dbraw/zinc/99/39/82/387993982.db2.gz FIDDHWCKUKMUSU-LBPRGKRZSA-N 0 0 218.344 3.645 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCN2)[C@@H]1CC1(C)C ZINC000423214233 387998241 /nfs/dbraw/zinc/99/82/41/387998241.db2.gz LAJGFNNHGUFFBQ-GWCFXTLKSA-N 0 0 230.355 3.501 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCN2)[C@H]1CC1(C)C ZINC000423214235 387998393 /nfs/dbraw/zinc/99/83/93/387998393.db2.gz LAJGFNNHGUFFBQ-GXFFZTMASA-N 0 0 230.355 3.501 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCN2)[C@@H]1CC1(C)C ZINC000423214236 192630429 /nfs/dbraw/zinc/63/04/29/192630429.db2.gz LAJGFNNHGUFFBQ-MFKMUULPSA-N 0 0 230.355 3.501 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCN2)[C@H]1CC1(C)C ZINC000423214238 387996931 /nfs/dbraw/zinc/99/69/31/387996931.db2.gz LAJGFNNHGUFFBQ-ZWNOBZJWSA-N 0 0 230.355 3.501 20 0 BHADRN CC(C)C1CC(Nc2ccc3c(c2)CCN3)C1 ZINC000423215211 387996860 /nfs/dbraw/zinc/99/68/60/387996860.db2.gz MLZRXAHBOWRAQB-UHFFFAOYSA-N 0 0 230.355 3.501 20 0 BHADRN CC1(C)CCC[C@@H]1Nc1ccc2c(c1)CCN2 ZINC000423215835 387997004 /nfs/dbraw/zinc/99/70/04/387997004.db2.gz NQNCREKYBUYZRP-AWEZNQCLSA-N 0 0 230.355 3.645 20 0 BHADRN CC1(C)CCC[C@H]1Nc1ccc2c(c1)CCN2 ZINC000423215837 387997146 /nfs/dbraw/zinc/99/71/46/387997146.db2.gz NQNCREKYBUYZRP-CQSZACIVSA-N 0 0 230.355 3.645 20 0 BHADRN CC[C@@H](Nc1ccc2c(c1)CCN2)C(C)C ZINC000423217526 387999514 /nfs/dbraw/zinc/99/95/14/387999514.db2.gz QBDRKMIKFGCUHM-CYBMUJFWSA-N 0 0 218.344 3.501 20 0 BHADRN CC[C@H](Nc1ccc2c(c1)CCN2)C(C)C ZINC000423217527 388000337 /nfs/dbraw/zinc/00/03/37/388000337.db2.gz QBDRKMIKFGCUHM-ZDUSSCGKSA-N 0 0 218.344 3.501 20 0 BHADRN c1cc(N[C@@H]2CC[C@@H]2C2CCC2)cc2c1NCC2 ZINC000423218078 388000567 /nfs/dbraw/zinc/00/05/67/388000567.db2.gz RHXFPBFUGOAWLA-GDBMZVCRSA-N 0 0 242.366 3.645 20 0 BHADRN c1cc(N[C@@H]2CC[C@H]2C2CCC2)cc2c1NCC2 ZINC000423218079 387999465 /nfs/dbraw/zinc/99/94/65/387999465.db2.gz RHXFPBFUGOAWLA-GOEBONIOSA-N 0 0 242.366 3.645 20 0 BHADRN c1cc(N[C@H]2CC[C@H]2C2CCC2)cc2c1NCC2 ZINC000423218080 387999940 /nfs/dbraw/zinc/99/99/40/387999940.db2.gz RHXFPBFUGOAWLA-HOCLYGCPSA-N 0 0 242.366 3.645 20 0 BHADRN c1cc(N[C@H]2CC[C@@H]2C2CCC2)cc2c1NCC2 ZINC000423218081 387999918 /nfs/dbraw/zinc/99/99/18/387999918.db2.gz RHXFPBFUGOAWLA-ZBFHGGJFSA-N 0 0 242.366 3.645 20 0 BHADRN CC(C)[C@@H]1CC[C@H]1Nc1ccc2c(c1)CCN2 ZINC000423219201 384778350 /nfs/dbraw/zinc/77/83/50/384778350.db2.gz SWZCSYGWKFGUKE-DZGCQCFKSA-N 0 0 230.355 3.501 20 0 BHADRN CC(C)[C@H]1CC[C@@H]1Nc1ccc2c(c1)CCN2 ZINC000423219203 384779747 /nfs/dbraw/zinc/77/97/47/384779747.db2.gz SWZCSYGWKFGUKE-HIFRSBDPSA-N 0 0 230.355 3.501 20 0 BHADRN CC(C)[C@H]1CC[C@H]1Nc1ccc2c(c1)CCN2 ZINC000423219205 384779985 /nfs/dbraw/zinc/77/99/85/384779985.db2.gz SWZCSYGWKFGUKE-UKRRQHHQSA-N 0 0 230.355 3.501 20 0 BHADRN CC(C)[C@@H]1CC[C@@H]1Nc1ccc2c(c1)CCN2 ZINC000423219207 384777995 /nfs/dbraw/zinc/77/79/95/384777995.db2.gz SWZCSYGWKFGUKE-ZFWWWQNUSA-N 0 0 230.355 3.501 20 0 BHADRN c1cc(NC2CCC3(CC3)CC2)cc2c1NCC2 ZINC000423219561 388000691 /nfs/dbraw/zinc/00/06/91/388000691.db2.gz UGYUBUHPTGNWEA-UHFFFAOYSA-N 0 0 242.366 3.789 20 0 BHADRN C[C@H](CC(C)(C)C)Nc1ccc2c(c1)CCN2 ZINC000423220838 388001154 /nfs/dbraw/zinc/00/11/54/388001154.db2.gz VZDOAAGUUWOIAL-LLVKDONJSA-N 0 0 232.371 3.891 20 0 BHADRN C[C@@H](CC(C)(C)C)Nc1ccc2c(c1)CCN2 ZINC000423220839 388001708 /nfs/dbraw/zinc/00/17/08/388001708.db2.gz VZDOAAGUUWOIAL-NSHDSACASA-N 0 0 232.371 3.891 20 0 BHADRN C[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)CCN2 ZINC000423221184 388002116 /nfs/dbraw/zinc/00/21/16/388002116.db2.gz WRUFWHJIWBZFLO-BXUZGUMPSA-N 0 0 230.355 3.645 20 0 BHADRN C[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCN2 ZINC000423221185 388001204 /nfs/dbraw/zinc/00/12/04/388001204.db2.gz WRUFWHJIWBZFLO-FZMZJTMJSA-N 0 0 230.355 3.645 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCN2 ZINC000423221186 388002461 /nfs/dbraw/zinc/00/24/61/388002461.db2.gz WRUFWHJIWBZFLO-RISCZKNCSA-N 0 0 230.355 3.645 20 0 BHADRN C[C@H]1CCCC[C@H]1Nc1ccc2c(c1)CCN2 ZINC000423221402 388001957 /nfs/dbraw/zinc/00/19/57/388001957.db2.gz WRUFWHJIWBZFLO-SMDDNHRTSA-N 0 0 230.355 3.645 20 0 BHADRN CC[C@H](Nc1ccc2c(c1)CCN2)[C@H]1C[C@@H]1C ZINC000423221750 388002687 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/nfs/dbraw/zinc/89/26/21/200892621.db2.gz PPFIXHBFJMZNBK-VHSXEESVSA-N 0 0 222.332 3.661 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1nc(C(C)(C)C)no1 ZINC000424223423 387939176 /nfs/dbraw/zinc/93/91/76/387939176.db2.gz PPFIXHBFJMZNBK-ZJUUUORDSA-N 0 0 222.332 3.661 20 0 BHADRN Cc1ccccc1-c1noc(C(F)=C2CCC2)n1 ZINC000424224394 387937578 /nfs/dbraw/zinc/93/75/78/387937578.db2.gz SDGBKVIYBOFQSP-UHFFFAOYSA-N 0 0 244.269 3.910 20 0 BHADRN F[C@H]1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000424225923 387939123 /nfs/dbraw/zinc/93/91/23/387939123.db2.gz WHJXOJFUQKEWHG-NEPJUHHUSA-N 0 0 246.285 3.732 20 0 BHADRN F[C@@H]1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000424225926 387937067 /nfs/dbraw/zinc/93/70/67/387937067.db2.gz WHJXOJFUQKEWHG-NWDGAFQWSA-N 0 0 246.285 3.732 20 0 BHADRN F[C@H]1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000424225929 387937161 /nfs/dbraw/zinc/93/71/61/387937161.db2.gz WHJXOJFUQKEWHG-RYUDHWBXSA-N 0 0 246.285 3.732 20 0 BHADRN F[C@@H]1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000424225930 387938470 /nfs/dbraw/zinc/93/84/70/387938470.db2.gz WHJXOJFUQKEWHG-VXGBXAGGSA-N 0 0 246.285 3.732 20 0 BHADRN CCc1noc([C@H](CC)Cc2ccccc2C)n1 ZINC000424226593 387940503 /nfs/dbraw/zinc/94/05/03/387940503.db2.gz XYWBQTXGNRYDJL-GFCCVEGCSA-N 0 0 244.338 3.677 20 0 BHADRN CCc1noc([C@@H](CC)Cc2ccccc2C)n1 ZINC000424226599 387940526 /nfs/dbraw/zinc/94/05/26/387940526.db2.gz XYWBQTXGNRYDJL-LBPRGKRZSA-N 0 0 244.338 3.677 20 0 BHADRN Cc1ccc(C2CC2)c(-c2nc(C3CC3)no2)c1 ZINC000424226631 200894214 /nfs/dbraw/zinc/89/42/14/200894214.db2.gz YAISSPRLCSMFJY-UHFFFAOYSA-N 0 0 240.306 3.800 20 0 BHADRN CO[C@H]1C[C@H]2C[C@@H](Nc3cccc(C)c3)C[C@H]2C1 ZINC000424283482 200897237 /nfs/dbraw/zinc/89/72/37/200897237.db2.gz NDIMAXKCTOOHOE-SDSIWUNFSA-N 0 0 245.366 3.611 20 0 BHADRN CO[C@H]1C[C@H]2C[C@H](Nc3cccc(C)c3)C[C@H]2C1 ZINC000424283483 387952912 /nfs/dbraw/zinc/95/29/12/387952912.db2.gz NDIMAXKCTOOHOE-WBIXOSHYSA-N 0 0 245.366 3.611 20 0 BHADRN CO[C@H]1C[C@H]2C[C@@H](Nc3ccccc3C)C[C@H]2C1 ZINC000424290250 387949150 /nfs/dbraw/zinc/94/91/50/387949150.db2.gz UGFWHJPYZHSDIK-NMWPEEMBSA-N 0 0 245.366 3.611 20 0 BHADRN CO[C@H]1C[C@H]2C[C@H](Nc3ccccc3C)C[C@H]2C1 ZINC000424290252 387947562 /nfs/dbraw/zinc/94/75/62/387947562.db2.gz UGFWHJPYZHSDIK-ZJIFFRHRSA-N 0 0 245.366 3.611 20 0 BHADRN CO[C@H]1C[C@H]2C[C@@H](Nc3ccc(C)cc3)C[C@H]2C1 ZINC000424291771 200900556 /nfs/dbraw/zinc/90/05/56/200900556.db2.gz VAZUSBVRACYXSP-SDSIWUNFSA-N 0 0 245.366 3.611 20 0 BHADRN CO[C@H]1C[C@H]2C[C@H](Nc3ccc(C)cc3)C[C@H]2C1 ZINC000424291773 398180652 /nfs/dbraw/zinc/18/06/52/398180652.db2.gz VAZUSBVRACYXSP-WBIXOSHYSA-N 0 0 245.366 3.611 20 0 BHADRN CC(C)Nc1cc(Cl)ccc1OC(F)F ZINC000424311341 387965500 /nfs/dbraw/zinc/96/55/00/387965500.db2.gz FANFMXOJPCLSNT-UHFFFAOYSA-N 0 0 235.661 3.762 20 0 BHADRN Cc1cccc2c1CC[C@H]2N[C@H](C)C(F)(F)F ZINC000424312975 387966007 /nfs/dbraw/zinc/96/60/07/387966007.db2.gz AHSYUOZMKVGLDL-BXKDBHETSA-N 0 0 243.272 3.523 20 0 BHADRN Cc1cccc2c1CC[C@@H]2N[C@@H](C)C(F)(F)F ZINC000424312976 387966019 /nfs/dbraw/zinc/96/60/19/387966019.db2.gz AHSYUOZMKVGLDL-CABZTGNLSA-N 0 0 243.272 3.523 20 0 BHADRN Cc1cccc2c1CC[C@H]2N[C@@H](C)C(F)(F)F ZINC000424312977 387966226 /nfs/dbraw/zinc/96/62/26/387966226.db2.gz AHSYUOZMKVGLDL-JOYOIKCWSA-N 0 0 243.272 3.523 20 0 BHADRN Cc1cccc2c1CC[C@@H]2N[C@H](C)C(F)(F)F ZINC000424312978 200906153 /nfs/dbraw/zinc/90/61/53/200906153.db2.gz AHSYUOZMKVGLDL-SKDRFNHKSA-N 0 0 243.272 3.523 20 0 BHADRN C[C@H](N[C@H]1C[C@H](C)c2ccccc21)C(F)(F)F ZINC000424316930 387968106 /nfs/dbraw/zinc/96/81/06/387968106.db2.gz GDNODHUUUWGJTL-AUTRQRHGSA-N 0 0 243.272 3.775 20 0 BHADRN C[C@H](N[C@@H]1C[C@H](C)c2ccccc21)C(F)(F)F ZINC000424316932 387968380 /nfs/dbraw/zinc/96/83/80/387968380.db2.gz GDNODHUUUWGJTL-HOTUBEGUSA-N 0 0 243.272 3.775 20 0 BHADRN C[C@@H](N[C@H]1C[C@H](C)c2ccccc21)C(F)(F)F ZINC000424316933 387968276 /nfs/dbraw/zinc/96/82/76/387968276.db2.gz GDNODHUUUWGJTL-SBMIAAHKSA-N 0 0 243.272 3.775 20 0 BHADRN C[C@@H](N[C@@H]1C[C@H](C)c2ccccc21)C(F)(F)F ZINC000424316934 387967128 /nfs/dbraw/zinc/96/71/28/387967128.db2.gz GDNODHUUUWGJTL-YGOYTEALSA-N 0 0 243.272 3.775 20 0 BHADRN Cc1cccc([C@@H](C)N[C@H](C)C(F)(F)F)c1C ZINC000424321231 387969479 /nfs/dbraw/zinc/96/94/79/387969479.db2.gz JXUWUKVJZOKSFG-GHMZBOCLSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1cccc([C@@H](C)N[C@@H](C)C(F)(F)F)c1C ZINC000424321232 387970354 /nfs/dbraw/zinc/97/03/54/387970354.db2.gz JXUWUKVJZOKSFG-MNOVXSKESA-N 0 0 245.288 3.905 20 0 BHADRN Cc1cccc([C@H](C)N[C@@H](C)C(F)(F)F)c1C ZINC000424321233 387970158 /nfs/dbraw/zinc/97/01/58/387970158.db2.gz JXUWUKVJZOKSFG-QWRGUYRKSA-N 0 0 245.288 3.905 20 0 BHADRN Cc1cccc([C@H](C)N[C@H](C)C(F)(F)F)c1C ZINC000424321234 387970450 /nfs/dbraw/zinc/97/04/50/387970450.db2.gz JXUWUKVJZOKSFG-WDEREUQCSA-N 0 0 245.288 3.905 20 0 BHADRN CC[C@@H](C)C[C@H](CC)N[C@H](C)C(F)(F)F ZINC000424321967 387971884 /nfs/dbraw/zinc/97/18/84/387971884.db2.gz KSGWWPSLXLPQPZ-BBBLOLIVSA-N 0 0 225.298 3.742 20 0 BHADRN CC[C@@H](C)C[C@@H](CC)N[C@@H](C)C(F)(F)F ZINC000424321968 387971723 /nfs/dbraw/zinc/97/17/23/387971723.db2.gz KSGWWPSLXLPQPZ-KXUCPTDWSA-N 0 0 225.298 3.742 20 0 BHADRN CC[C@@H](C)C[C@@H](CC)N[C@H](C)C(F)(F)F ZINC000424321969 387972263 /nfs/dbraw/zinc/97/22/63/387972263.db2.gz KSGWWPSLXLPQPZ-OPRDCNLKSA-N 0 0 225.298 3.742 20 0 BHADRN CC[C@@H](C)C[C@H](CC)N[C@@H](C)C(F)(F)F ZINC000424321970 387970832 /nfs/dbraw/zinc/97/08/32/387970832.db2.gz KSGWWPSLXLPQPZ-UTLUCORTSA-N 0 0 225.298 3.742 20 0 BHADRN CCC[C@@H](C)[C@H](CC)N[C@H](C)C(F)(F)F ZINC000424327351 387975533 /nfs/dbraw/zinc/97/55/33/387975533.db2.gz PQKPMRQLIRGXFN-BBBLOLIVSA-N 0 0 225.298 3.742 20 0 BHADRN CCC[C@@H](C)[C@@H](CC)N[C@@H](C)C(F)(F)F ZINC000424327352 387975449 /nfs/dbraw/zinc/97/54/49/387975449.db2.gz PQKPMRQLIRGXFN-KXUCPTDWSA-N 0 0 225.298 3.742 20 0 BHADRN CCC[C@@H](C)[C@@H](CC)N[C@H](C)C(F)(F)F ZINC000424327353 387974870 /nfs/dbraw/zinc/97/48/70/387974870.db2.gz PQKPMRQLIRGXFN-OPRDCNLKSA-N 0 0 225.298 3.742 20 0 BHADRN CCC[C@@H](C)[C@H](CC)N[C@@H](C)C(F)(F)F ZINC000424327354 387975475 /nfs/dbraw/zinc/97/54/75/387975475.db2.gz PQKPMRQLIRGXFN-UTLUCORTSA-N 0 0 225.298 3.742 20 0 BHADRN CCCC[C@@H](C)[C@@H](C)N[C@@H](C)C(F)(F)F ZINC000424328320 359728762 /nfs/dbraw/zinc/72/87/62/359728762.db2.gz QLJUZENNXTYAAU-BBBLOLIVSA-N 0 0 225.298 3.742 20 0 BHADRN CCCC[C@@H](C)[C@H](C)N[C@H](C)C(F)(F)F ZINC000424328322 387975152 /nfs/dbraw/zinc/97/51/52/387975152.db2.gz QLJUZENNXTYAAU-KXUCPTDWSA-N 0 0 225.298 3.742 20 0 BHADRN CCCC[C@@H](C)[C@@H](C)N[C@H](C)C(F)(F)F ZINC000424328323 387975133 /nfs/dbraw/zinc/97/51/33/387975133.db2.gz QLJUZENNXTYAAU-OPRDCNLKSA-N 0 0 225.298 3.742 20 0 BHADRN CCCC[C@@H](C)[C@H](C)N[C@@H](C)C(F)(F)F ZINC000424328325 206036788 /nfs/dbraw/zinc/03/67/88/206036788.db2.gz QLJUZENNXTYAAU-UTLUCORTSA-N 0 0 225.298 3.742 20 0 BHADRN C[C@@H](N[C@@H](C)C(F)(F)F)[C@H](C)c1ccccc1 ZINC000424335596 387978288 /nfs/dbraw/zinc/97/82/88/387978288.db2.gz ZUMUANGIHKDHRD-AXFHLTTASA-N 0 0 245.288 3.719 20 0 BHADRN C[C@@H](N[C@H](C)C(F)(F)F)[C@@H](C)c1ccccc1 ZINC000424335597 200917644 /nfs/dbraw/zinc/91/76/44/200917644.db2.gz ZUMUANGIHKDHRD-GMTAPVOTSA-N 0 0 245.288 3.719 20 0 BHADRN C[C@@H](N[C@H](C)C(F)(F)F)[C@H](C)c1ccccc1 ZINC000424335598 387978940 /nfs/dbraw/zinc/97/89/40/387978940.db2.gz ZUMUANGIHKDHRD-HBNTYKKESA-N 0 0 245.288 3.719 20 0 BHADRN C[C@@H](N[C@@H](C)C(F)(F)F)[C@@H](C)c1ccccc1 ZINC000424335599 387978953 /nfs/dbraw/zinc/97/89/53/387978953.db2.gz ZUMUANGIHKDHRD-MXWKQRLJSA-N 0 0 245.288 3.719 20 0 BHADRN Cc1cccc(-c2noc(C(F)=C3CCC3)n2)c1 ZINC000424336471 387979206 /nfs/dbraw/zinc/97/92/06/387979206.db2.gz IXQQMCSRGVGEJN-UHFFFAOYSA-N 0 0 244.269 3.910 20 0 BHADRN C[C@H](N[C@H]1C[C@]1(F)c1ccccc1)c1ccco1 ZINC000424337587 387979813 /nfs/dbraw/zinc/97/98/13/387979813.db2.gz ZPIJOXMIWRBYKC-CQDKDKBSSA-N 0 0 245.297 3.568 20 0 BHADRN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)c1ccco1 ZINC000424337588 387980938 /nfs/dbraw/zinc/98/09/38/387980938.db2.gz ZPIJOXMIWRBYKC-GLQYFDAESA-N 0 0 245.297 3.568 20 0 BHADRN C[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccco1 ZINC000424337589 387980650 /nfs/dbraw/zinc/98/06/50/387980650.db2.gz ZPIJOXMIWRBYKC-NILFDRSVSA-N 0 0 245.297 3.568 20 0 BHADRN C[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)c1ccco1 ZINC000424337590 200918204 /nfs/dbraw/zinc/91/82/04/200918204.db2.gz ZPIJOXMIWRBYKC-TUKIKUTGSA-N 0 0 245.297 3.568 20 0 BHADRN CC[C@H](C)c1noc([C@@H]2CCC[C@H](F)C2)n1 ZINC000424340431 387982558 /nfs/dbraw/zinc/98/25/58/387982558.db2.gz SOVHJQWMBWADBO-AEJSXWLSSA-N 0 0 226.295 3.579 20 0 BHADRN CC[C@H](C)c1noc([C@H]2CCC[C@H](F)C2)n1 ZINC000424340432 387982893 /nfs/dbraw/zinc/98/28/93/387982893.db2.gz SOVHJQWMBWADBO-GUBZILKMSA-N 0 0 226.295 3.579 20 0 BHADRN CC[C@H](C)c1noc([C@@H]2CCC[C@@H](F)C2)n1 ZINC000424340433 387981645 /nfs/dbraw/zinc/98/16/45/387981645.db2.gz SOVHJQWMBWADBO-IVZWLZJFSA-N 0 0 226.295 3.579 20 0 BHADRN CC[C@H](C)c1noc([C@H]2CCC[C@@H](F)C2)n1 ZINC000424340434 387982346 /nfs/dbraw/zinc/98/23/46/387982346.db2.gz SOVHJQWMBWADBO-LPEHRKFASA-N 0 0 226.295 3.579 20 0 BHADRN CCC(CC)c1noc([C@@H]2CCC[C@@H](F)C2)n1 ZINC000424344660 387984489 /nfs/dbraw/zinc/98/44/89/387984489.db2.gz CWSOTOWOLVYCDO-GHMZBOCLSA-N 0 0 240.322 3.969 20 0 BHADRN CCC(CC)c1noc([C@@H]2CCC[C@H](F)C2)n1 ZINC000424344661 200918992 /nfs/dbraw/zinc/91/89/92/200918992.db2.gz CWSOTOWOLVYCDO-MNOVXSKESA-N 0 0 240.322 3.969 20 0 BHADRN CCC(CC)c1noc([C@H]2CCC[C@H](F)C2)n1 ZINC000424344662 387983680 /nfs/dbraw/zinc/98/36/80/387983680.db2.gz CWSOTOWOLVYCDO-QWRGUYRKSA-N 0 0 240.322 3.969 20 0 BHADRN CCC(CC)c1noc([C@H]2CCC[C@@H](F)C2)n1 ZINC000424344663 200919663 /nfs/dbraw/zinc/91/96/63/200919663.db2.gz CWSOTOWOLVYCDO-WDEREUQCSA-N 0 0 240.322 3.969 20 0 BHADRN CCC(CC)c1noc(C(F)=C2CCC2)n1 ZINC000424347448 200919867 /nfs/dbraw/zinc/91/98/67/200919867.db2.gz LGFPKCVLWXIDHG-UHFFFAOYSA-N 0 0 224.279 3.838 20 0 BHADRN CC(C)(C)Cc1noc([C@@H]2CCC[C@@H](F)C2)n1 ZINC000424352591 387985964 /nfs/dbraw/zinc/98/59/64/387985964.db2.gz ZFIOIKVICRKLNP-NXEZZACHSA-N 0 0 240.322 3.654 20 0 BHADRN CC(C)(C)Cc1noc([C@H]2CCC[C@H](F)C2)n1 ZINC000424352594 387985716 /nfs/dbraw/zinc/98/57/16/387985716.db2.gz ZFIOIKVICRKLNP-UWVGGRQHSA-N 0 0 240.322 3.654 20 0 BHADRN CC(C)(C)Cc1noc([C@H]2CCC[C@@H](F)C2)n1 ZINC000424352595 200920062 /nfs/dbraw/zinc/92/00/62/200920062.db2.gz ZFIOIKVICRKLNP-VHSXEESVSA-N 0 0 240.322 3.654 20 0 BHADRN CC(C)(C)Cc1noc([C@@H]2CCC[C@H](F)C2)n1 ZINC000424352597 387985656 /nfs/dbraw/zinc/98/56/56/387985656.db2.gz ZFIOIKVICRKLNP-ZJUUUORDSA-N 0 0 240.322 3.654 20 0 BHADRN CC(C)(C)CCc1noc(C(F)=C2CCC2)n1 ZINC000424364544 387989536 /nfs/dbraw/zinc/98/95/36/387989536.db2.gz RDMXMSUQKBNPHX-UHFFFAOYSA-N 0 0 238.306 3.913 20 0 BHADRN CCc1ccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)cc1 ZINC000424519032 206042347 /nfs/dbraw/zinc/04/23/47/206042347.db2.gz ABNCQNKJTPAWEF-CHWSQXEVSA-N 0 0 249.329 3.716 20 0 BHADRN CCc1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)cc1 ZINC000424519034 206041944 /nfs/dbraw/zinc/04/19/44/206041944.db2.gz ABNCQNKJTPAWEF-OLZOCXBDSA-N 0 0 249.329 3.716 20 0 BHADRN CCc1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)cc1 ZINC000424519035 206042030 /nfs/dbraw/zinc/04/20/30/206042030.db2.gz ABNCQNKJTPAWEF-QWHCGFSZSA-N 0 0 249.329 3.716 20 0 BHADRN CCc1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)cc1 ZINC000424519037 206041703 /nfs/dbraw/zinc/04/17/03/206041703.db2.gz ABNCQNKJTPAWEF-STQMWFEESA-N 0 0 249.329 3.716 20 0 BHADRN CCCCCNC(=O)c1cc(C)ccc1C1CC1 ZINC000424520457 206041655 /nfs/dbraw/zinc/04/16/55/206041655.db2.gz CNJAKWHSXZRIDV-UHFFFAOYSA-N 0 0 245.366 3.792 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c(C)c1 ZINC000424520979 206041615 /nfs/dbraw/zinc/04/16/15/206041615.db2.gz DFZHIQITEFEMSH-CHWSQXEVSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c(C)c1 ZINC000424520985 206041562 /nfs/dbraw/zinc/04/15/62/206041562.db2.gz DFZHIQITEFEMSH-OLZOCXBDSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c(C)c1 ZINC000424520986 206042211 /nfs/dbraw/zinc/04/22/11/206042211.db2.gz DFZHIQITEFEMSH-QWHCGFSZSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)c(C)c1 ZINC000424520988 206042057 /nfs/dbraw/zinc/04/20/57/206042057.db2.gz DFZHIQITEFEMSH-STQMWFEESA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)cc1C ZINC000424521372 388083426 /nfs/dbraw/zinc/08/34/26/388083426.db2.gz DYQYSTYWYGAGOP-CHWSQXEVSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)cc1C ZINC000424521374 388083408 /nfs/dbraw/zinc/08/34/08/388083408.db2.gz DYQYSTYWYGAGOP-OLZOCXBDSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)cc1C ZINC000424521376 388084030 /nfs/dbraw/zinc/08/40/30/388084030.db2.gz DYQYSTYWYGAGOP-QWHCGFSZSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)cc1C ZINC000424521378 388083641 /nfs/dbraw/zinc/08/36/41/388083641.db2.gz DYQYSTYWYGAGOP-STQMWFEESA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000424522912 388085190 /nfs/dbraw/zinc/08/51/90/388085190.db2.gz IAYUSPSONPVBIS-AAEUAGOBSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000424522913 388085455 /nfs/dbraw/zinc/08/54/55/388085455.db2.gz IAYUSPSONPVBIS-DGCLKSJQSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000424522914 388085407 /nfs/dbraw/zinc/08/54/07/388085407.db2.gz IAYUSPSONPVBIS-WCQYABFASA-N 0 0 231.339 3.760 20 0 BHADRN Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C ZINC000424522915 388085273 /nfs/dbraw/zinc/08/52/73/388085273.db2.gz IAYUSPSONPVBIS-YPMHNXCESA-N 0 0 231.339 3.760 20 0 BHADRN Cc1ccc(C2CC2)c(C(=O)NCCC(C)C)c1 ZINC000424523236 388085156 /nfs/dbraw/zinc/08/51/56/388085156.db2.gz IRPVTTCWMVFUFM-UHFFFAOYSA-N 0 0 245.366 3.648 20 0 BHADRN Cc1ccc(C2CC2)c(C(=O)NC2CCCC2)c1 ZINC000424524082 398189404 /nfs/dbraw/zinc/18/94/04/398189404.db2.gz KGHRFMKBVXJNRQ-UHFFFAOYSA-N 0 0 243.350 3.545 20 0 BHADRN C[C@H](NC(=O)[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000424524114 388086503 /nfs/dbraw/zinc/08/65/03/388086503.db2.gz KKNGUFGNQVUGHO-IPYPFGDCSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000424524116 388086352 /nfs/dbraw/zinc/08/63/52/388086352.db2.gz KKNGUFGNQVUGHO-KCQAQPDRSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000424524119 388086386 /nfs/dbraw/zinc/08/63/86/388086386.db2.gz KKNGUFGNQVUGHO-VNHYZAJKSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000424524121 388086214 /nfs/dbraw/zinc/08/62/14/388086214.db2.gz KKNGUFGNQVUGHO-YDHLFZDLSA-N 0 0 245.366 3.690 20 0 BHADRN Cc1cccc2c(C(=O)NCCC(C)C)coc21 ZINC000424525484 388086634 /nfs/dbraw/zinc/08/66/34/388086634.db2.gz MLFBQCJLGAENRU-UHFFFAOYSA-N 0 0 245.322 3.517 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC000424525911 388086405 /nfs/dbraw/zinc/08/64/05/388086405.db2.gz MYXKAUSMNGVMOM-CHWSQXEVSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H]2CCC[C@H](F)C2)c1 ZINC000424525912 388086222 /nfs/dbraw/zinc/08/62/22/388086222.db2.gz MYXKAUSMNGVMOM-OLZOCXBDSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@H]2CCC[C@@H](F)C2)c1 ZINC000424525913 388086337 /nfs/dbraw/zinc/08/63/37/388086337.db2.gz MYXKAUSMNGVMOM-QWHCGFSZSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@H]2CCC[C@H](F)C2)c1 ZINC000424525914 200930472 /nfs/dbraw/zinc/93/04/72/200930472.db2.gz MYXKAUSMNGVMOM-STQMWFEESA-N 0 0 249.329 3.770 20 0 BHADRN CC(=O)c1nc(C2CC2)c(-c2ccccc2)s1 ZINC000424526487 388089830 /nfs/dbraw/zinc/08/98/30/388089830.db2.gz NQKTWWPRRJXKDF-UHFFFAOYSA-N 0 0 243.331 3.890 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC000424527525 388093502 /nfs/dbraw/zinc/09/35/02/388093502.db2.gz PJOPPKUIFSNVIH-CHWSQXEVSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2CCC[C@H](F)C2)c1 ZINC000424527526 388093382 /nfs/dbraw/zinc/09/33/82/388093382.db2.gz PJOPPKUIFSNVIH-OLZOCXBDSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@H]2CCC[C@@H](F)C2)c1 ZINC000424527527 388093309 /nfs/dbraw/zinc/09/33/09/388093309.db2.gz PJOPPKUIFSNVIH-QWHCGFSZSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@H]2CCC[C@H](F)C2)c1 ZINC000424527528 388093373 /nfs/dbraw/zinc/09/33/73/388093373.db2.gz PJOPPKUIFSNVIH-STQMWFEESA-N 0 0 249.329 3.770 20 0 BHADRN COCc1nc(C2CC2)c(-c2ccccc2)s1 ZINC000424528131 388094582 /nfs/dbraw/zinc/09/45/82/388094582.db2.gz QBUIQRLWSPMZFK-UHFFFAOYSA-N 0 0 245.347 3.834 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1C ZINC000424528175 388094784 /nfs/dbraw/zinc/09/47/84/388094784.db2.gz QIFZEABZLWCVBH-CHWSQXEVSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c1C ZINC000424528177 388094759 /nfs/dbraw/zinc/09/47/59/388094759.db2.gz QIFZEABZLWCVBH-OLZOCXBDSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c1C ZINC000424528179 388094360 /nfs/dbraw/zinc/09/43/60/388094360.db2.gz QIFZEABZLWCVBH-QWHCGFSZSA-N 0 0 249.329 3.770 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCC[C@H](F)C2)c1C ZINC000424528181 388094597 /nfs/dbraw/zinc/09/45/97/388094597.db2.gz QIFZEABZLWCVBH-STQMWFEESA-N 0 0 249.329 3.770 20 0 BHADRN Cc1nc(C2CC2)c(-c2ccccc2)s1 ZINC000424528225 388095067 /nfs/dbraw/zinc/09/50/67/388095067.db2.gz QKHIAFDHHXWUFL-UHFFFAOYSA-N 0 0 215.321 3.996 20 0 BHADRN CN(C)c1nc(C2CC2)c(-c2ccccc2)s1 ZINC000424530547 388097407 /nfs/dbraw/zinc/09/74/07/388097407.db2.gz UFGZLVBELFUHMJ-UHFFFAOYSA-N 0 0 244.363 3.754 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000424530615 388097453 /nfs/dbraw/zinc/09/74/53/388097453.db2.gz UNFQNWRVHHDTHS-GWCFXTLKSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000424530618 200932450 /nfs/dbraw/zinc/93/24/50/200932450.db2.gz UNFQNWRVHHDTHS-GXFFZTMASA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@H]1CCCC[C@H]1C ZINC000424530620 388097276 /nfs/dbraw/zinc/09/72/76/388097276.db2.gz UNFQNWRVHHDTHS-MFKMUULPSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000424530621 388097736 /nfs/dbraw/zinc/09/77/36/388097736.db2.gz UNFQNWRVHHDTHS-ZWNOBZJWSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000424532958 388098084 /nfs/dbraw/zinc/09/80/84/388098084.db2.gz KUDVUWATGVAMFS-GWCFXTLKSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000424532960 388098661 /nfs/dbraw/zinc/09/86/61/388098661.db2.gz KUDVUWATGVAMFS-GXFFZTMASA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H]1CCCC[C@H]1C ZINC000424532962 200933200 /nfs/dbraw/zinc/93/32/00/200933200.db2.gz KUDVUWATGVAMFS-MFKMUULPSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000424532964 200933517 /nfs/dbraw/zinc/93/35/17/200933517.db2.gz KUDVUWATGVAMFS-ZWNOBZJWSA-N 0 0 249.329 3.899 20 0 BHADRN CCc1cccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC000424533167 200933532 /nfs/dbraw/zinc/93/35/32/200933532.db2.gz LDPBMPXTYPKMLD-CHWSQXEVSA-N 0 0 249.329 3.716 20 0 BHADRN CCc1cccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c1 ZINC000424533170 388099221 /nfs/dbraw/zinc/09/92/21/388099221.db2.gz LDPBMPXTYPKMLD-OLZOCXBDSA-N 0 0 249.329 3.716 20 0 BHADRN CCc1cccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c1 ZINC000424533172 388099241 /nfs/dbraw/zinc/09/92/41/388099241.db2.gz LDPBMPXTYPKMLD-QWHCGFSZSA-N 0 0 249.329 3.716 20 0 BHADRN CCc1cccc(NC(=O)[C@H]2CCC[C@H](F)C2)c1 ZINC000424533174 388099151 /nfs/dbraw/zinc/09/91/51/388099151.db2.gz LDPBMPXTYPKMLD-STQMWFEESA-N 0 0 249.329 3.716 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1F ZINC000424533298 200933828 /nfs/dbraw/zinc/93/38/28/200933828.db2.gz YLXIZLYKZVIGBJ-GHMZBOCLSA-N 0 0 235.302 3.591 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1F ZINC000424533302 388099139 /nfs/dbraw/zinc/09/91/39/388099139.db2.gz YLXIZLYKZVIGBJ-MNOVXSKESA-N 0 0 235.302 3.591 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1F ZINC000424533305 200934029 /nfs/dbraw/zinc/93/40/29/200934029.db2.gz YLXIZLYKZVIGBJ-QWRGUYRKSA-N 0 0 235.302 3.591 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1F ZINC000424533309 388099133 /nfs/dbraw/zinc/09/91/33/388099133.db2.gz YLXIZLYKZVIGBJ-WDEREUQCSA-N 0 0 235.302 3.591 20 0 BHADRN CCC(CC)NC(=O)c1coc2c1cccc2C ZINC000424538586 388105245 /nfs/dbraw/zinc/10/52/45/388105245.db2.gz QTMMFHAIJHXFTK-UHFFFAOYSA-N 0 0 245.322 3.660 20 0 BHADRN CCC(CC)NC(=O)c1cc(C)ccc1C1CC1 ZINC000424543235 200935421 /nfs/dbraw/zinc/93/54/21/200935421.db2.gz XMANQMQCXGCCCU-UHFFFAOYSA-N 0 0 245.366 3.791 20 0 BHADRN Cc1cc(CNc2ccccc2C(F)F)no1 ZINC000424561937 387140424 /nfs/dbraw/zinc/14/04/24/387140424.db2.gz BUHCBWXNVCUKLL-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN CCCCN(C)C(=O)c1cc(C)ccc1C1CC1 ZINC000424563130 200936729 /nfs/dbraw/zinc/93/67/29/200936729.db2.gz OHMGAGVNANBREQ-UHFFFAOYSA-N 0 0 245.366 3.745 20 0 BHADRN Cc1cc(CNc2ccccc2C(F)F)on1 ZINC000424563427 387143085 /nfs/dbraw/zinc/14/30/85/387143085.db2.gz DVNXDQVKXQYWMC-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN FC(F)c1ccccc1NCCC1CC1 ZINC000424564481 200936014 /nfs/dbraw/zinc/93/60/14/200936014.db2.gz FVYXNWYIUMOOMF-UHFFFAOYSA-N 0 0 211.255 3.836 20 0 BHADRN FC(F)c1ccccc1NCC1CCC1 ZINC000424564488 387144560 /nfs/dbraw/zinc/14/45/60/387144560.db2.gz FXSDBDVRJJIHJW-UHFFFAOYSA-N 0 0 211.255 3.836 20 0 BHADRN CCSCCNc1ccccc1C(F)F ZINC000424564542 387144425 /nfs/dbraw/zinc/14/44/25/387144425.db2.gz GLGZEAHSKKRAHF-UHFFFAOYSA-N 0 0 231.311 3.789 20 0 BHADRN CCCCN(C)C(=O)c1coc2c1cccc2C ZINC000424565262 387144527 /nfs/dbraw/zinc/14/45/27/387144527.db2.gz QEPUUYBABCDAOM-UHFFFAOYSA-N 0 0 245.322 3.613 20 0 BHADRN FC(F)c1ccccc1NCCOC1CCC1 ZINC000424565773 387144396 /nfs/dbraw/zinc/14/43/96/387144396.db2.gz IHVNPLIADYWEGE-UHFFFAOYSA-N 0 0 241.281 3.605 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCCCC1 ZINC000424567642 387145739 /nfs/dbraw/zinc/14/57/39/387145739.db2.gz SQRKEXYILRRHIR-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCCCC1 ZINC000424567644 200937130 /nfs/dbraw/zinc/93/71/30/200937130.db2.gz SQRKEXYILRRHIR-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCCCC1 ZINC000424567646 387145830 /nfs/dbraw/zinc/14/58/30/387145830.db2.gz SQRKEXYILRRHIR-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCCCC1 ZINC000424567648 387145952 /nfs/dbraw/zinc/14/59/52/387145952.db2.gz SQRKEXYILRRHIR-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CC/C=C\CCNc1ccc2cc[nH]c(=O)c2c1 ZINC000424567820 387146779 /nfs/dbraw/zinc/14/67/79/387146779.db2.gz BAASAGCIFVBZMP-ARJAWSKDSA-N 0 0 242.322 3.709 20 0 BHADRN CC/C=C/CCNc1ccc2cc[nH]c(=O)c2c1 ZINC000424567822 387146760 /nfs/dbraw/zinc/14/67/60/387146760.db2.gz BAASAGCIFVBZMP-ONEGZZNKSA-N 0 0 242.322 3.709 20 0 BHADRN CCC(C)(C)NC(=O)c1coc2c1cccc2C ZINC000424569039 398195671 /nfs/dbraw/zinc/19/56/71/398195671.db2.gz UUCYIZUMAWEUHP-UHFFFAOYSA-N 0 0 245.322 3.660 20 0 BHADRN CCCCCNc1ccc2cc[nH]c(=O)c2c1 ZINC000424569846 200938094 /nfs/dbraw/zinc/93/80/94/200938094.db2.gz DCTDZPTYDOUPMJ-UHFFFAOYSA-N 0 0 230.311 3.543 20 0 BHADRN FC(F)c1ccccc1NCCC(F)(F)F ZINC000424569943 200937245 /nfs/dbraw/zinc/93/72/45/200937245.db2.gz OKALTGWXTBZZSL-UHFFFAOYSA-N 0 0 239.187 3.989 20 0 BHADRN CCCN(CC)C(=O)c1cc(C)ccc1C1CC1 ZINC000424570189 387149250 /nfs/dbraw/zinc/14/92/50/387149250.db2.gz DWEYTESEFOFISQ-UHFFFAOYSA-N 0 0 245.366 3.745 20 0 BHADRN CCCN(CC)C(=O)c1coc2c1cccc2C ZINC000424571271 387148905 /nfs/dbraw/zinc/14/89/05/387148905.db2.gz FSNBQGOCKMBTKR-UHFFFAOYSA-N 0 0 245.322 3.613 20 0 BHADRN CC[C@@H](F)CNc1ccc(Cl)cc1COC ZINC000424572679 387151913 /nfs/dbraw/zinc/15/19/13/387151913.db2.gz HRWAMVACYZTQLE-LLVKDONJSA-N 0 0 245.725 3.646 20 0 BHADRN CC[C@H](F)CNc1ccc(Cl)cc1COC ZINC000424572685 387152138 /nfs/dbraw/zinc/15/21/38/387152138.db2.gz HRWAMVACYZTQLE-NSHDSACASA-N 0 0 245.725 3.646 20 0 BHADRN CC[C@@H](F)CNc1ccccc1C(F)F ZINC000424573254 387174396 /nfs/dbraw/zinc/17/43/96/387174396.db2.gz SIHUUCGFGRPVDD-MRVPVSSYSA-N 0 0 217.234 3.784 20 0 BHADRN CC[C@H](F)CNc1ccccc1C(F)F ZINC000424573257 387173837 /nfs/dbraw/zinc/17/38/37/387173837.db2.gz SIHUUCGFGRPVDD-QMMMGPOBSA-N 0 0 217.234 3.784 20 0 BHADRN COC(C)(C)CCNc1ccccc1C(F)F ZINC000424573820 387173986 /nfs/dbraw/zinc/17/39/86/387173986.db2.gz SXPLDZMLGSYWPH-UHFFFAOYSA-N 0 0 243.297 3.851 20 0 BHADRN COCc1cc(Cl)ccc1NCCCCF ZINC000424573829 387173589 /nfs/dbraw/zinc/17/35/89/387173589.db2.gz JCRXUZXTLLDXCG-UHFFFAOYSA-N 0 0 245.725 3.648 20 0 BHADRN FC(F)c1ccccc1NCC[C@@H]1CCCO1 ZINC000424573839 200938808 /nfs/dbraw/zinc/93/88/08/200938808.db2.gz SZUHOFOZPDYYCQ-JTQLQIEISA-N 0 0 241.281 3.605 20 0 BHADRN FC(F)c1ccccc1NCC[C@H]1CCCO1 ZINC000424573841 387173582 /nfs/dbraw/zinc/17/35/82/387173582.db2.gz SZUHOFOZPDYYCQ-SNVBAGLBSA-N 0 0 241.281 3.605 20 0 BHADRN COCc1cc(Cl)ccc1NCCC1CC1 ZINC000424574274 387174795 /nfs/dbraw/zinc/17/47/95/387174795.db2.gz JKOFVJFKCHUEBQ-UHFFFAOYSA-N 0 0 239.746 3.698 20 0 BHADRN Cc1cnc(CNc2ccccc2C(F)F)o1 ZINC000424575066 387175673 /nfs/dbraw/zinc/17/56/73/387175673.db2.gz VJJQGEFBGDPKLB-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN FCCCCNc1ccccc1C(F)F ZINC000424576450 200938786 /nfs/dbraw/zinc/93/87/86/200938786.db2.gz XTHLXXSNKKRGKI-UHFFFAOYSA-N 0 0 217.234 3.786 20 0 BHADRN CCCCN(C(=O)[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000424576589 387181906 /nfs/dbraw/zinc/18/19/06/387181906.db2.gz YHEVPYVOPNBWHY-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCN(C(=O)[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000424576591 387180630 /nfs/dbraw/zinc/18/06/30/387180630.db2.gz YHEVPYVOPNBWHY-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCN(C(=O)[C@H]1CCCC[C@H]1C)C1CC1 ZINC000424576594 387182037 /nfs/dbraw/zinc/18/20/37/387182037.db2.gz YHEVPYVOPNBWHY-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCN(C(=O)[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000424576596 387181840 /nfs/dbraw/zinc/18/18/40/387181840.db2.gz YHEVPYVOPNBWHY-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN COCc1cc(Cl)ccc1NCC1CCC1 ZINC000424577463 200938580 /nfs/dbraw/zinc/93/85/80/200938580.db2.gz OUOFIPXXTSQDNJ-UHFFFAOYSA-N 0 0 239.746 3.698 20 0 BHADRN CC(C)(C)CCNc1ccc2cc[nH]c(=O)c2c1 ZINC000424577906 387182070 /nfs/dbraw/zinc/18/20/70/387182070.db2.gz QEDDJADMYSGEHC-UHFFFAOYSA-N 0 0 244.338 3.789 20 0 BHADRN Cc1ccc(C2CC2)c(C(=O)N(C)CC(C)C)c1 ZINC000424577917 200939130 /nfs/dbraw/zinc/93/91/30/200939130.db2.gz QFSGHERSAKJRDE-UHFFFAOYSA-N 0 0 245.366 3.600 20 0 BHADRN C[C@H](C1CC1)N(C(=O)[C@H]1CCCC[C@H]1C)C1CC1 ZINC000424578141 200939119 /nfs/dbraw/zinc/93/91/19/200939119.db2.gz ASXUSPIIUZRKFW-JMSVASOKSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@H](C1CC1)N(C(=O)[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000424578142 387181131 /nfs/dbraw/zinc/18/11/31/387181131.db2.gz ASXUSPIIUZRKFW-LALPHHSUSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H](C1CC1)N(C(=O)[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000424578144 387182165 /nfs/dbraw/zinc/18/21/65/387182165.db2.gz ASXUSPIIUZRKFW-TYNCELHUSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H](C1CC1)N(C(=O)[C@H]1CCCC[C@H]1C)C1CC1 ZINC000424578146 387180797 /nfs/dbraw/zinc/18/07/97/387180797.db2.gz ASXUSPIIUZRKFW-XUJVJEKNSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CCCC[C@H]1C ZINC000424578473 200938749 /nfs/dbraw/zinc/93/87/49/200938749.db2.gz RZHBUNBFOFOGMU-AGIUHOORSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CCCC[C@H]1C ZINC000424578475 387180852 /nfs/dbraw/zinc/18/08/52/387180852.db2.gz RZHBUNBFOFOGMU-FRRDWIJNSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CCCC[C@H]1C ZINC000424578477 387180706 /nfs/dbraw/zinc/18/07/06/387180706.db2.gz RZHBUNBFOFOGMU-JHJVBQTASA-N 0 0 249.354 3.625 20 0 BHADRN C[C@H](c1ccco1)N(C)C(=O)[C@H]1CCCC[C@H]1C ZINC000424578479 200939029 /nfs/dbraw/zinc/93/90/29/200939029.db2.gz RZHBUNBFOFOGMU-UPJWGTAASA-N 0 0 249.354 3.625 20 0 BHADRN CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)c1ccccc1 ZINC000424585894 200940583 /nfs/dbraw/zinc/94/05/83/200940583.db2.gz SBHIXOBYBHKNQN-CHWSQXEVSA-N 0 0 249.329 3.568 20 0 BHADRN CCN(C(=O)[C@@H]1CCC[C@H](F)C1)c1ccccc1 ZINC000424585896 387191945 /nfs/dbraw/zinc/19/19/45/387191945.db2.gz SBHIXOBYBHKNQN-OLZOCXBDSA-N 0 0 249.329 3.568 20 0 BHADRN CCN(C(=O)[C@H]1CCC[C@@H](F)C1)c1ccccc1 ZINC000424585898 387190941 /nfs/dbraw/zinc/19/09/41/387190941.db2.gz SBHIXOBYBHKNQN-QWHCGFSZSA-N 0 0 249.329 3.568 20 0 BHADRN CCN(C(=O)[C@H]1CCC[C@H](F)C1)c1ccccc1 ZINC000424585900 200940291 /nfs/dbraw/zinc/94/02/91/200940291.db2.gz SBHIXOBYBHKNQN-STQMWFEESA-N 0 0 249.329 3.568 20 0 BHADRN CCN(C(=O)c1coc2c1cccc2C)C(C)C ZINC000424594401 387203412 /nfs/dbraw/zinc/20/34/12/387203412.db2.gz LOHKLZFJUFUGJM-UHFFFAOYSA-N 0 0 245.322 3.612 20 0 BHADRN Cc1cccc2c(C(=O)NCC(C)(C)C)coc21 ZINC000424595906 387204584 /nfs/dbraw/zinc/20/45/84/387204584.db2.gz HRUMRYGFIQNVNP-UHFFFAOYSA-N 0 0 245.322 3.517 20 0 BHADRN Cc1ccc(C2CC2)c(C(=O)NCC(C)(C)C)c1 ZINC000424596030 387205754 /nfs/dbraw/zinc/20/57/54/387205754.db2.gz IGGQMZBMLYVGDD-UHFFFAOYSA-N 0 0 245.366 3.648 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@H]1CCCC[C@H]1C ZINC000424610029 387215253 /nfs/dbraw/zinc/21/52/53/387215253.db2.gz BCXAHGVZTZNUDO-AGIUHOORSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@H]1CCCC[C@@H]1C ZINC000424610030 387216011 /nfs/dbraw/zinc/21/60/11/387216011.db2.gz BCXAHGVZTZNUDO-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@@H]1CCCC[C@H]1C ZINC000424610031 387216032 /nfs/dbraw/zinc/21/60/32/387216032.db2.gz BCXAHGVZTZNUDO-FRRDWIJNSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000424610032 200943940 /nfs/dbraw/zinc/94/39/40/200943940.db2.gz BCXAHGVZTZNUDO-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CCN(C(=O)[C@@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000424610613 387215740 /nfs/dbraw/zinc/21/57/40/387215740.db2.gz WKMHHAFNFAFJEZ-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)[C@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000424610614 387215784 /nfs/dbraw/zinc/21/57/84/387215784.db2.gz WKMHHAFNFAFJEZ-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)[C@H]1CCCC[C@H]1C)C1CCCC1 ZINC000424610615 387216057 /nfs/dbraw/zinc/21/60/57/387216057.db2.gz WKMHHAFNFAFJEZ-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)[C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000424610616 387215714 /nfs/dbraw/zinc/21/57/14/387215714.db2.gz WKMHHAFNFAFJEZ-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)c1cccc(N(C)C(=O)[C@]2(C)C[C@@H]2F)c1 ZINC000424619267 387222289 /nfs/dbraw/zinc/22/22/89/387222289.db2.gz NGPDKJQGJBCTRF-DZGCQCFKSA-N 0 0 249.329 3.521 20 0 BHADRN CC(C)c1cccc(N(C)C(=O)[C@@]2(C)C[C@H]2F)c1 ZINC000424619268 200944425 /nfs/dbraw/zinc/94/44/25/200944425.db2.gz NGPDKJQGJBCTRF-HIFRSBDPSA-N 0 0 249.329 3.521 20 0 BHADRN CC(C)c1cccc(N(C)C(=O)[C@]2(C)C[C@H]2F)c1 ZINC000424619269 387222439 /nfs/dbraw/zinc/22/24/39/387222439.db2.gz NGPDKJQGJBCTRF-UKRRQHHQSA-N 0 0 249.329 3.521 20 0 BHADRN CC(C)c1cccc(N(C)C(=O)[C@@]2(C)C[C@@H]2F)c1 ZINC000424619270 200944527 /nfs/dbraw/zinc/94/45/27/200944527.db2.gz NGPDKJQGJBCTRF-ZFWWWQNUSA-N 0 0 249.329 3.521 20 0 BHADRN CC[C@@H](C)N(C)C(=O)c1coc2c1cccc2C ZINC000424623688 487624963 /nfs/dbraw/zinc/62/49/63/487624963.db2.gz DWWMNZKQIVRPSU-LLVKDONJSA-N 0 0 245.322 3.612 20 0 BHADRN CC[C@H](C)N(C)C(=O)c1coc2c1cccc2C ZINC000424623690 529687128 /nfs/dbraw/zinc/68/71/28/529687128.db2.gz DWWMNZKQIVRPSU-NSHDSACASA-N 0 0 245.322 3.612 20 0 BHADRN CCCC(C)(C)NC(=O)[C@H]1CCCC[C@H]1C ZINC000424626405 387225164 /nfs/dbraw/zinc/22/51/64/387225164.db2.gz JDNWJPXGNMMJHD-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000424626406 387225111 /nfs/dbraw/zinc/22/51/11/387225111.db2.gz JDNWJPXGNMMJHD-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(C)(C)NC(=O)[C@H]1CCCC[C@@H]1C ZINC000424626407 387225108 /nfs/dbraw/zinc/22/51/08/387225108.db2.gz JDNWJPXGNMMJHD-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(C)(C)NC(=O)[C@@H]1CCCC[C@H]1C ZINC000424626408 527989952 /nfs/dbraw/zinc/98/99/52/527989952.db2.gz JDNWJPXGNMMJHD-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000424647162 387232311 /nfs/dbraw/zinc/23/23/11/387232311.db2.gz KKNGUFGNQVUGHO-GUTXKFCHSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000424647164 387233343 /nfs/dbraw/zinc/23/33/43/387233343.db2.gz KKNGUFGNQVUGHO-GZBFAFLISA-N 0 0 245.366 3.690 20 0 BHADRN C[C@@H](NC(=O)[C@H]1CCCC[C@H]1C)c1ccccc1 ZINC000424647165 387231819 /nfs/dbraw/zinc/23/18/19/387231819.db2.gz KKNGUFGNQVUGHO-NFAWXSAZSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1ccccc1 ZINC000424647167 387232370 /nfs/dbraw/zinc/23/23/70/387232370.db2.gz KKNGUFGNQVUGHO-UMVBOHGHSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C1CCC1 ZINC000424649875 387235519 /nfs/dbraw/zinc/23/55/19/387235519.db2.gz XOYCDBZZIRSXCA-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C1CCC1 ZINC000424649876 387234125 /nfs/dbraw/zinc/23/41/25/387234125.db2.gz XOYCDBZZIRSXCA-SNPRPXQTSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C1CCC1 ZINC000424649877 387235184 /nfs/dbraw/zinc/23/51/84/387235184.db2.gz XOYCDBZZIRSXCA-VHDGCEQUSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@H]1C1CCC1 ZINC000424649878 387235531 /nfs/dbraw/zinc/23/55/31/387235531.db2.gz XOYCDBZZIRSXCA-YUELXQCFSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N(C)c1ccccc1F ZINC000424651518 200947608 /nfs/dbraw/zinc/94/76/08/200947608.db2.gz VMHNEJLYKOCWNE-NEPJUHHUSA-N 0 0 249.329 3.615 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)N(C)c1ccccc1F ZINC000424651521 200947395 /nfs/dbraw/zinc/94/73/95/200947395.db2.gz VMHNEJLYKOCWNE-NWDGAFQWSA-N 0 0 249.329 3.615 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)N(C)c1ccccc1F ZINC000424651523 387235317 /nfs/dbraw/zinc/23/53/17/387235317.db2.gz VMHNEJLYKOCWNE-RYUDHWBXSA-N 0 0 249.329 3.615 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N(C)c1ccccc1F ZINC000424651526 387234681 /nfs/dbraw/zinc/23/46/81/387234681.db2.gz VMHNEJLYKOCWNE-VXGBXAGGSA-N 0 0 249.329 3.615 20 0 BHADRN CCC(C)(CC)NC(=O)[C@H]1CCCC[C@H]1C ZINC000424651850 200947588 /nfs/dbraw/zinc/94/75/88/200947588.db2.gz DVZSBTXMFIGLTA-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(CC)NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000424651852 387234797 /nfs/dbraw/zinc/23/47/97/387234797.db2.gz DVZSBTXMFIGLTA-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(CC)NC(=O)[C@H]1CCCC[C@@H]1C ZINC000424651855 387234307 /nfs/dbraw/zinc/23/43/07/387234307.db2.gz DVZSBTXMFIGLTA-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(CC)NC(=O)[C@@H]1CCCC[C@H]1C ZINC000424651857 200947883 /nfs/dbraw/zinc/94/78/83/200947883.db2.gz DVZSBTXMFIGLTA-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]1C ZINC000424663653 387242305 /nfs/dbraw/zinc/24/23/05/387242305.db2.gz ILVDMCJDQRPMNI-HZSPNIEDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]1C ZINC000424663654 387242215 /nfs/dbraw/zinc/24/22/15/387242215.db2.gz ILVDMCJDQRPMNI-MCIONIFRSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N1CCCCC[C@H]1C ZINC000424663655 200949022 /nfs/dbraw/zinc/94/90/22/200949022.db2.gz ILVDMCJDQRPMNI-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]1C ZINC000424663656 387241615 /nfs/dbraw/zinc/24/16/15/387241615.db2.gz ILVDMCJDQRPMNI-RDBSUJKOSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](NC(=O)[C@H]1CCCC[C@H]1C)C1CCCC1 ZINC000424665038 387241938 /nfs/dbraw/zinc/24/19/38/387241938.db2.gz KWKZBKCTOXXJKH-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)[C@H]1CCCC[C@H]1C)C1CCCC1 ZINC000424665039 387241462 /nfs/dbraw/zinc/24/14/62/387241462.db2.gz KWKZBKCTOXXJKH-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000424665040 387242135 /nfs/dbraw/zinc/24/21/35/387242135.db2.gz KWKZBKCTOXXJKH-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000424665041 387241207 /nfs/dbraw/zinc/24/12/07/387241207.db2.gz KWKZBKCTOXXJKH-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000424682590 387244910 /nfs/dbraw/zinc/24/49/10/387244910.db2.gz DUCSYTIPJXZXRW-APIJFGDWSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000424682591 387245298 /nfs/dbraw/zinc/24/52/98/387245298.db2.gz DUCSYTIPJXZXRW-CBBWQLFWSA-N 0 0 249.398 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BHADRN CC(C)N(C(=O)[C@@H]1CCCC[C@@H]1C)C1CCC1 ZINC000424692336 200951798 /nfs/dbraw/zinc/95/17/98/200951798.db2.gz WKBSMUDMWSFLCM-GXTWGEPZSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)[C@H]1CCCC[C@@H]1C)C1CCC1 ZINC000424692337 387249607 /nfs/dbraw/zinc/24/96/07/387249607.db2.gz WKBSMUDMWSFLCM-JSGCOSHPSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)[C@H]1CCCC[C@H]1C)C1CCC1 ZINC000424692338 387249213 /nfs/dbraw/zinc/24/92/13/387249213.db2.gz WKBSMUDMWSFLCM-OCCSQVGLSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CCCC[C@H]1C)C1CCC1 ZINC000424692339 387249146 /nfs/dbraw/zinc/24/91/46/387249146.db2.gz WKBSMUDMWSFLCM-TZMCWYRMSA-N 0 0 237.387 3.602 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424694760 528635982 /nfs/dbraw/zinc/63/59/82/528635982.db2.gz WPJZVJPJGAMJHS-NEPJUHHUSA-N 0 0 243.366 3.600 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424694761 528635602 /nfs/dbraw/zinc/63/56/02/528635602.db2.gz WPJZVJPJGAMJHS-NWDGAFQWSA-N 0 0 243.366 3.600 20 0 BHADRN 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ZINC000424815118 192079460 /nfs/dbraw/zinc/07/94/60/192079460.db2.gz XFPXCZHYOCMXAA-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCC12CCCC2 ZINC000424815119 192079404 /nfs/dbraw/zinc/07/94/04/192079404.db2.gz XFPXCZHYOCMXAA-MCIONIFRSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCC12CCCC2 ZINC000424815120 192079828 /nfs/dbraw/zinc/07/98/28/192079828.db2.gz XFPXCZHYOCMXAA-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC12CCCC2 ZINC000424815121 192079694 /nfs/dbraw/zinc/07/96/94/192079694.db2.gz XFPXCZHYOCMXAA-RDBSUJKOSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N(CC1CC1)C1CCC1 ZINC000424815944 192079692 /nfs/dbraw/zinc/07/96/92/192079692.db2.gz YPZXSYYNIQIFSC-DOMZBBRYSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N(CC1CC1)C1CCC1 ZINC000424815945 192079877 /nfs/dbraw/zinc/07/98/77/192079877.db2.gz YPZXSYYNIQIFSC-IUODEOHRSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)N(CC1CC1)C1CCC1 ZINC000424815946 192079948 /nfs/dbraw/zinc/07/99/48/192079948.db2.gz YPZXSYYNIQIFSC-SWLSCSKDSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)N(CC1CC1)C1CCC1 ZINC000424815947 192079968 /nfs/dbraw/zinc/07/99/68/192079968.db2.gz YPZXSYYNIQIFSC-WFASDCNBSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(CC)N(CC)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424820293 192081541 /nfs/dbraw/zinc/08/15/41/192081541.db2.gz CEGIAQYQYWCSGL-NEPJUHHUSA-N 0 0 243.366 3.552 20 0 BHADRN CCC(CC)N(CC)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424820295 192081498 /nfs/dbraw/zinc/08/14/98/192081498.db2.gz CEGIAQYQYWCSGL-NWDGAFQWSA-N 0 0 243.366 3.552 20 0 BHADRN CCC(CC)N(CC)C(=O)[C@H]1CCC[C@H](F)C1 ZINC000424820297 192081715 /nfs/dbraw/zinc/08/17/15/192081715.db2.gz CEGIAQYQYWCSGL-RYUDHWBXSA-N 0 0 243.366 3.552 20 0 BHADRN CCC(CC)N(CC)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424820300 192081693 /nfs/dbraw/zinc/08/16/93/192081693.db2.gz CEGIAQYQYWCSGL-VXGBXAGGSA-N 0 0 243.366 3.552 20 0 BHADRN C[C@@]1(C(=O)Nc2cccc(C3CCC3)c2)C[C@@H]1F ZINC000424823232 192081445 /nfs/dbraw/zinc/08/14/45/192081445.db2.gz CRLNJKVFODAULO-DZGCQCFKSA-N 0 0 247.313 3.641 20 0 BHADRN C[C@]1(C(=O)Nc2cccc(C3CCC3)c2)C[C@H]1F ZINC000424823236 192081619 /nfs/dbraw/zinc/08/16/19/192081619.db2.gz CRLNJKVFODAULO-HIFRSBDPSA-N 0 0 247.313 3.641 20 0 BHADRN C[C@@]1(C(=O)Nc2cccc(C3CCC3)c2)C[C@H]1F ZINC000424823239 192081601 /nfs/dbraw/zinc/08/16/01/192081601.db2.gz CRLNJKVFODAULO-UKRRQHHQSA-N 0 0 247.313 3.641 20 0 BHADRN C[C@]1(C(=O)Nc2cccc(C3CCC3)c2)C[C@@H]1F ZINC000424823240 192081410 /nfs/dbraw/zinc/08/14/10/192081410.db2.gz CRLNJKVFODAULO-ZFWWWQNUSA-N 0 0 247.313 3.641 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@H]1CCC[C@H](F)C1 ZINC000424832979 386588825 /nfs/dbraw/zinc/58/88/25/386588825.db2.gz OKLHPQRHAGCIQY-AVGNSLFASA-N 0 0 243.366 3.552 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424832980 191802097 /nfs/dbraw/zinc/80/20/97/191802097.db2.gz OKLHPQRHAGCIQY-RWMBFGLXSA-N 0 0 243.366 3.552 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424832981 386588049 /nfs/dbraw/zinc/58/80/49/386588049.db2.gz OKLHPQRHAGCIQY-XQQFMLRXSA-N 0 0 243.366 3.552 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424832982 386589449 /nfs/dbraw/zinc/58/94/49/386589449.db2.gz OKLHPQRHAGCIQY-YNEHKIRRSA-N 0 0 243.366 3.552 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N(C1CCC1)C1CCC1 ZINC000424843327 386598495 /nfs/dbraw/zinc/59/84/95/386598495.db2.gz JOBVZGDKCCNOPP-DOMZBBRYSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N(C1CCC1)C1CCC1 ZINC000424843328 386598129 /nfs/dbraw/zinc/59/81/29/386598129.db2.gz JOBVZGDKCCNOPP-IUODEOHRSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)N(C1CCC1)C1CCC1 ZINC000424843329 386598303 /nfs/dbraw/zinc/59/83/03/386598303.db2.gz JOBVZGDKCCNOPP-SWLSCSKDSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)N(C1CCC1)C1CCC1 ZINC000424843330 386598862 /nfs/dbraw/zinc/59/88/62/386598862.db2.gz JOBVZGDKCCNOPP-WFASDCNBSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N(C)C1(C)CCCC1 ZINC000424843958 386598428 /nfs/dbraw/zinc/59/84/28/386598428.db2.gz BTGGCHGIBLJOAO-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1(C)CCCC1 ZINC000424843960 386598390 /nfs/dbraw/zinc/59/83/90/386598390.db2.gz BTGGCHGIBLJOAO-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)N(C)C1(C)CCCC1 ZINC000424843962 191803988 /nfs/dbraw/zinc/80/39/88/191803988.db2.gz BTGGCHGIBLJOAO-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)N(C)C1(C)CCCC1 ZINC000424843964 386597434 /nfs/dbraw/zinc/59/74/34/386597434.db2.gz BTGGCHGIBLJOAO-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@]1(C(=O)Nc2ccc(C3CCC3)cc2)C[C@@H]1F ZINC000424856721 191836533 /nfs/dbraw/zinc/83/65/33/191836533.db2.gz QDWQTLKDTCNMLG-DZGCQCFKSA-N 0 0 247.313 3.641 20 0 BHADRN C[C@]1(C(=O)Nc2ccc(C3CCC3)cc2)C[C@H]1F ZINC000424856722 387059929 /nfs/dbraw/zinc/05/99/29/387059929.db2.gz QDWQTLKDTCNMLG-HIFRSBDPSA-N 0 0 247.313 3.641 20 0 BHADRN C[C@@]1(C(=O)Nc2ccc(C3CCC3)cc2)C[C@H]1F ZINC000424856723 191836324 /nfs/dbraw/zinc/83/63/24/191836324.db2.gz QDWQTLKDTCNMLG-UKRRQHHQSA-N 0 0 247.313 3.641 20 0 BHADRN C[C@]1(C(=O)Nc2ccc(C3CCC3)cc2)C[C@@H]1F ZINC000424856724 387059230 /nfs/dbraw/zinc/05/92/30/387059230.db2.gz QDWQTLKDTCNMLG-ZFWWWQNUSA-N 0 0 247.313 3.641 20 0 BHADRN CCC1(NC(=O)[C@@H]2CCCC[C@H]2C)CCCC1 ZINC000424863663 387076114 /nfs/dbraw/zinc/07/61/14/387076114.db2.gz KEUOUNFNAHUTCF-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)[C@H]2CCCC[C@H]2C)CCCC1 ZINC000424863664 387077019 /nfs/dbraw/zinc/07/70/19/387077019.db2.gz KEUOUNFNAHUTCF-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)[C@@H]2CCCC[C@@H]2C)CCCC1 ZINC000424863665 387076948 /nfs/dbraw/zinc/07/69/48/387076948.db2.gz KEUOUNFNAHUTCF-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)[C@H]2CCCC[C@@H]2C)CCCC1 ZINC000424863666 387076586 /nfs/dbraw/zinc/07/65/86/387076586.db2.gz KEUOUNFNAHUTCF-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000424864468 387076199 /nfs/dbraw/zinc/07/61/99/387076199.db2.gz KWKZBKCTOXXJKH-OBJOEFQTSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000424864469 387077071 /nfs/dbraw/zinc/07/70/71/387077071.db2.gz KWKZBKCTOXXJKH-OUCADQQQSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000424864470 387076942 /nfs/dbraw/zinc/07/69/42/387076942.db2.gz KWKZBKCTOXXJKH-SCRDCRAPSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000424864471 387076135 /nfs/dbraw/zinc/07/61/35/387076135.db2.gz KWKZBKCTOXXJKH-SGMGOOAPSA-N 0 0 237.387 3.508 20 0 BHADRN CC/C=C\CNC(=O)c1cc(C)ccc1C1CC1 ZINC000424865922 387077788 /nfs/dbraw/zinc/07/77/88/387077788.db2.gz NAECTWWXMCYUBF-PLNGDYQASA-N 0 0 243.350 3.568 20 0 BHADRN CC/C=C/CNC(=O)c1cc(C)ccc1C1CC1 ZINC000424865923 387078651 /nfs/dbraw/zinc/07/86/51/387078651.db2.gz NAECTWWXMCYUBF-SNAWJCMRSA-N 0 0 243.350 3.568 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)NC(C)(C)C1CCC1 ZINC000424869427 387116705 /nfs/dbraw/zinc/11/67/05/387116705.db2.gz JOFGJGLVECSHPI-AAEUAGOBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)NC(C)(C)C1CCC1 ZINC000424869428 191839311 /nfs/dbraw/zinc/83/93/11/191839311.db2.gz JOFGJGLVECSHPI-DGCLKSJQSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)NC(C)(C)C1CCC1 ZINC000424869429 387115635 /nfs/dbraw/zinc/11/56/35/387115635.db2.gz JOFGJGLVECSHPI-WCQYABFASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)NC(C)(C)C1CCC1 ZINC000424869431 387116289 /nfs/dbraw/zinc/11/62/89/387116289.db2.gz JOFGJGLVECSHPI-YPMHNXCESA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)NC12CCC(CC1)CC2 ZINC000424876914 387107851 /nfs/dbraw/zinc/10/78/51/387107851.db2.gz RBUICEHOWRCMSZ-ILTLLKDXSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)NC12CCC(CC1)CC2 ZINC000424876916 387107598 /nfs/dbraw/zinc/10/75/98/387107598.db2.gz RBUICEHOWRCMSZ-PGOFDVKTSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)NC12CCC(CC1)CC2 ZINC000424876919 387107975 /nfs/dbraw/zinc/10/79/75/387107975.db2.gz RBUICEHOWRCMSZ-REWIBIJMSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)NC12CCC(CC1)CC2 ZINC000424876920 387106996 /nfs/dbraw/zinc/10/69/96/387106996.db2.gz RBUICEHOWRCMSZ-RXFTYZNJSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)NC1(C2CCC2)CCC1 ZINC000424884282 205849383 /nfs/dbraw/zinc/84/93/83/205849383.db2.gz BUNLHVGXRGDJFD-GXTWGEPZSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)NC1(C2CCC2)CCC1 ZINC000424884289 385920745 /nfs/dbraw/zinc/92/07/45/385920745.db2.gz BUNLHVGXRGDJFD-JSGCOSHPSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)NC1(C2CCC2)CCC1 ZINC000424884297 385921557 /nfs/dbraw/zinc/92/15/57/385921557.db2.gz BUNLHVGXRGDJFD-OCCSQVGLSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)NC1(C2CCC2)CCC1 ZINC000424884301 385922838 /nfs/dbraw/zinc/92/28/38/385922838.db2.gz BUNLHVGXRGDJFD-TZMCWYRMSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@H](C)CNC(=O)c1coc2c1cccc2C ZINC000424891838 386118788 /nfs/dbraw/zinc/11/87/88/386118788.db2.gz MKRAOIYYMFESJQ-JTQLQIEISA-N 0 0 245.322 3.517 20 0 BHADRN CC[C@@H](C)CNC(=O)c1coc2c1cccc2C ZINC000424891839 386117709 /nfs/dbraw/zinc/11/77/09/386117709.db2.gz MKRAOIYYMFESJQ-SNVBAGLBSA-N 0 0 245.322 3.517 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000424892077 386160549 /nfs/dbraw/zinc/16/05/49/386160549.db2.gz KUKGSNGYJFPJRM-BYCMXARLSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N[C@H](C1CC1)C1CCC1 ZINC000424892078 191869960 /nfs/dbraw/zinc/86/99/60/191869960.db2.gz KUKGSNGYJFPJRM-DFBGVHRSSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000424892079 386159462 /nfs/dbraw/zinc/15/94/62/386159462.db2.gz KUKGSNGYJFPJRM-KCPJHIHWSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C1CC1)C1CCC1 ZINC000424892080 386161291 /nfs/dbraw/zinc/16/12/91/386161291.db2.gz KUKGSNGYJFPJRM-UGFHNGPFSA-N 0 0 249.398 3.508 20 0 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ZINC000425331913 191812856 /nfs/dbraw/zinc/81/28/56/191812856.db2.gz DBPJUWFAUODSOV-NEPJUHHUSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccc(N[C@H]2CC[C@H]2SC)cc1 ZINC000425331924 386844716 /nfs/dbraw/zinc/84/47/16/386844716.db2.gz DBPJUWFAUODSOV-NWDGAFQWSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccc(N[C@H]2CC[C@@H]2SC)cc1 ZINC000425331926 386846489 /nfs/dbraw/zinc/84/64/89/386846489.db2.gz DBPJUWFAUODSOV-RYUDHWBXSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccc(N[C@@H]2CC[C@H]2SC)cc1 ZINC000425331929 386844251 /nfs/dbraw/zinc/84/42/51/386844251.db2.gz DBPJUWFAUODSOV-VXGBXAGGSA-N 0 0 239.409 3.714 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1cc(C)cc(C)c1 ZINC000425333504 386848884 /nfs/dbraw/zinc/84/88/84/386848884.db2.gz FPXQVEBVIQZEMO-CHWSQXEVSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1cc(C)cc(C)c1 ZINC000425333506 386848517 /nfs/dbraw/zinc/84/85/17/386848517.db2.gz FPXQVEBVIQZEMO-OLZOCXBDSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1cc(C)cc(C)c1 ZINC000425333508 386849239 /nfs/dbraw/zinc/84/92/39/386849239.db2.gz FPXQVEBVIQZEMO-QWHCGFSZSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1cc(C)cc(C)c1 ZINC000425333509 386848581 /nfs/dbraw/zinc/84/85/81/386848581.db2.gz FPXQVEBVIQZEMO-STQMWFEESA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1cccc(Cl)c1 ZINC000425333569 386847746 /nfs/dbraw/zinc/84/77/46/386847746.db2.gz FTQGORQJKVPHGN-GHMZBOCLSA-N 0 0 227.760 3.646 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1cccc(Cl)c1 ZINC000425333576 386849304 /nfs/dbraw/zinc/84/93/04/386849304.db2.gz FTQGORQJKVPHGN-MNOVXSKESA-N 0 0 227.760 3.646 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1cccc(Cl)c1 ZINC000425333577 386849079 /nfs/dbraw/zinc/84/90/79/386849079.db2.gz FTQGORQJKVPHGN-QWRGUYRKSA-N 0 0 227.760 3.646 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1cccc(Cl)c1 ZINC000425333580 386848810 /nfs/dbraw/zinc/84/88/10/386848810.db2.gz FTQGORQJKVPHGN-WDEREUQCSA-N 0 0 227.760 3.646 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1cc(F)cc(Cl)c1 ZINC000425334516 386848590 /nfs/dbraw/zinc/84/85/90/386848590.db2.gz GZTHHFCZXRMXNL-GHMZBOCLSA-N 0 0 245.750 3.785 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1cc(F)cc(Cl)c1 ZINC000425334517 386848660 /nfs/dbraw/zinc/84/86/60/386848660.db2.gz GZTHHFCZXRMXNL-MNOVXSKESA-N 0 0 245.750 3.785 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1cc(F)cc(Cl)c1 ZINC000425334518 191814424 /nfs/dbraw/zinc/81/44/24/191814424.db2.gz GZTHHFCZXRMXNL-QWRGUYRKSA-N 0 0 245.750 3.785 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1cc(F)cc(Cl)c1 ZINC000425334519 386848321 /nfs/dbraw/zinc/84/83/21/386848321.db2.gz GZTHHFCZXRMXNL-WDEREUQCSA-N 0 0 245.750 3.785 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1ccc(C)c(C)c1 ZINC000425335662 386850674 /nfs/dbraw/zinc/85/06/74/386850674.db2.gz JEGWXKJLOAQFEL-CHWSQXEVSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1ccc(C)c(C)c1 ZINC000425335664 386849926 /nfs/dbraw/zinc/84/99/26/386849926.db2.gz JEGWXKJLOAQFEL-OLZOCXBDSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1ccc(C)c(C)c1 ZINC000425335665 386850711 /nfs/dbraw/zinc/85/07/11/386850711.db2.gz JEGWXKJLOAQFEL-QWHCGFSZSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1ccc(C)c(C)c1 ZINC000425335667 386851233 /nfs/dbraw/zinc/85/12/33/386851233.db2.gz JEGWXKJLOAQFEL-STQMWFEESA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1ccc2ccoc2c1 ZINC000425335984 386850722 /nfs/dbraw/zinc/85/07/22/386850722.db2.gz JOSKJWPNNMKXOE-AAEUAGOBSA-N 0 0 233.336 3.739 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1ccc2ccoc2c1 ZINC000425335985 191814785 /nfs/dbraw/zinc/81/47/85/191814785.db2.gz JOSKJWPNNMKXOE-DGCLKSJQSA-N 0 0 233.336 3.739 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1ccc2ccoc2c1 ZINC000425335986 386850834 /nfs/dbraw/zinc/85/08/34/386850834.db2.gz JOSKJWPNNMKXOE-WCQYABFASA-N 0 0 233.336 3.739 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1ccc2ccoc2c1 ZINC000425335987 386851225 /nfs/dbraw/zinc/85/12/25/386851225.db2.gz JOSKJWPNNMKXOE-YPMHNXCESA-N 0 0 233.336 3.739 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1ccccc1Cl ZINC000425336539 386851008 /nfs/dbraw/zinc/85/10/08/386851008.db2.gz LQAAHRZWOVIWLA-GHMZBOCLSA-N 0 0 227.760 3.646 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1ccccc1Cl ZINC000425336540 386851061 /nfs/dbraw/zinc/85/10/61/386851061.db2.gz LQAAHRZWOVIWLA-MNOVXSKESA-N 0 0 227.760 3.646 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1ccccc1Cl ZINC000425336541 386851305 /nfs/dbraw/zinc/85/13/05/386851305.db2.gz LQAAHRZWOVIWLA-QWRGUYRKSA-N 0 0 227.760 3.646 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1ccccc1Cl ZINC000425336542 386850682 /nfs/dbraw/zinc/85/06/82/386850682.db2.gz LQAAHRZWOVIWLA-WDEREUQCSA-N 0 0 227.760 3.646 20 0 BHADRN CCc1ccccc1N[C@@H]1CC[C@H]1SC ZINC000425338840 191811030 /nfs/dbraw/zinc/81/10/30/191811030.db2.gz QFUWDTHDDAPMOU-CHWSQXEVSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccccc1N[C@@H]1CC[C@@H]1SC ZINC000425338841 386840618 /nfs/dbraw/zinc/84/06/18/386840618.db2.gz QFUWDTHDDAPMOU-OLZOCXBDSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccccc1N[C@H]1CC[C@H]1SC ZINC000425338842 386839350 /nfs/dbraw/zinc/83/93/50/386839350.db2.gz QFUWDTHDDAPMOU-QWHCGFSZSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccccc1N[C@H]1CC[C@@H]1SC ZINC000425338843 191810492 /nfs/dbraw/zinc/81/04/92/191810492.db2.gz QFUWDTHDDAPMOU-STQMWFEESA-N 0 0 221.369 3.555 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1cccc(C)c1C ZINC000425338844 191811197 /nfs/dbraw/zinc/81/11/97/191811197.db2.gz QFZLMYPYZFWRPE-CHWSQXEVSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1cccc(C)c1C ZINC000425338845 386839357 /nfs/dbraw/zinc/83/93/57/386839357.db2.gz QFZLMYPYZFWRPE-OLZOCXBDSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1cccc(C)c1C ZINC000425338846 386841055 /nfs/dbraw/zinc/84/10/55/386841055.db2.gz QFZLMYPYZFWRPE-QWHCGFSZSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1cccc(C)c1C ZINC000425338847 386839974 /nfs/dbraw/zinc/83/99/74/386839974.db2.gz QFZLMYPYZFWRPE-STQMWFEESA-N 0 0 221.369 3.609 20 0 BHADRN CSc1ccccc1N[C@H]1CC[C@H]1SC ZINC000425339039 386838931 /nfs/dbraw/zinc/83/89/31/386838931.db2.gz QPDBOGCOSJTKOC-CMPLNLGQSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccccc1N[C@H]1CC[C@@H]1SC ZINC000425339040 386840777 /nfs/dbraw/zinc/84/07/77/386840777.db2.gz QPDBOGCOSJTKOC-JQWIXIFHSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccccc1N[C@@H]1CC[C@@H]1SC ZINC000425339041 386839690 /nfs/dbraw/zinc/83/96/90/386839690.db2.gz QPDBOGCOSJTKOC-PWSUYJOCSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1ccccc1N[C@@H]1CC[C@H]1SC ZINC000425339042 386839570 /nfs/dbraw/zinc/83/95/70/386839570.db2.gz QPDBOGCOSJTKOC-ZYHUDNBSSA-N 0 0 239.409 3.714 20 0 BHADRN CCc1cccc(N[C@@H]2CC[C@H]2SC)c1 ZINC000425339247 191811245 /nfs/dbraw/zinc/81/12/45/191811245.db2.gz RKIZAMWLSOMGGL-CHWSQXEVSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1cccc(N[C@@H]2CC[C@@H]2SC)c1 ZINC000425339248 386838594 /nfs/dbraw/zinc/83/85/94/386838594.db2.gz RKIZAMWLSOMGGL-OLZOCXBDSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1cccc(N[C@H]2CC[C@H]2SC)c1 ZINC000425339249 386839858 /nfs/dbraw/zinc/83/98/58/386839858.db2.gz RKIZAMWLSOMGGL-QWHCGFSZSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1cccc(N[C@H]2CC[C@@H]2SC)c1 ZINC000425339250 386840054 /nfs/dbraw/zinc/84/00/54/386840054.db2.gz RKIZAMWLSOMGGL-STQMWFEESA-N 0 0 221.369 3.555 20 0 BHADRN CSc1cccc(N[C@@H]2CC[C@@H]2SC)c1 ZINC000425339653 191812128 /nfs/dbraw/zinc/81/21/28/191812128.db2.gz STUYOYCTGHQNBE-NEPJUHHUSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1cccc(N[C@H]2CC[C@H]2SC)c1 ZINC000425339654 191812673 /nfs/dbraw/zinc/81/26/73/191812673.db2.gz STUYOYCTGHQNBE-NWDGAFQWSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1cccc(N[C@H]2CC[C@@H]2SC)c1 ZINC000425339655 386839003 /nfs/dbraw/zinc/83/90/03/386839003.db2.gz STUYOYCTGHQNBE-RYUDHWBXSA-N 0 0 239.409 3.714 20 0 BHADRN CSc1cccc(N[C@@H]2CC[C@H]2SC)c1 ZINC000425339656 386838484 /nfs/dbraw/zinc/83/84/84/386838484.db2.gz STUYOYCTGHQNBE-VXGBXAGGSA-N 0 0 239.409 3.714 20 0 BHADRN CCc1ccc(N[C@@H]2CC[C@H]2SC)cc1 ZINC000425339832 386840428 /nfs/dbraw/zinc/84/04/28/386840428.db2.gz UDKQGUIUXJMSJN-CHWSQXEVSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccc(N[C@@H]2CC[C@@H]2SC)cc1 ZINC000425339833 386839965 /nfs/dbraw/zinc/83/99/65/386839965.db2.gz UDKQGUIUXJMSJN-OLZOCXBDSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccc(N[C@H]2CC[C@H]2SC)cc1 ZINC000425339834 191811733 /nfs/dbraw/zinc/81/17/33/191811733.db2.gz UDKQGUIUXJMSJN-QWHCGFSZSA-N 0 0 221.369 3.555 20 0 BHADRN CCc1ccc(N[C@H]2CC[C@@H]2SC)cc1 ZINC000425339835 191812475 /nfs/dbraw/zinc/81/24/75/191812475.db2.gz UDKQGUIUXJMSJN-STQMWFEESA-N 0 0 221.369 3.555 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1cc(C)ccc1C ZINC000425339913 386839696 /nfs/dbraw/zinc/83/96/96/386839696.db2.gz UQYFAKMFFGLUDR-AAEUAGOBSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1cc(C)ccc1C ZINC000425339914 191811616 /nfs/dbraw/zinc/81/16/16/191811616.db2.gz UQYFAKMFFGLUDR-DGCLKSJQSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1cc(C)ccc1C ZINC000425339915 386840515 /nfs/dbraw/zinc/84/05/15/386840515.db2.gz UQYFAKMFFGLUDR-WCQYABFASA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1cc(C)ccc1C ZINC000425339916 386838506 /nfs/dbraw/zinc/83/85/06/386838506.db2.gz UQYFAKMFFGLUDR-YPMHNXCESA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1ccc(C)cc1C ZINC000425342551 191818614 /nfs/dbraw/zinc/81/86/14/191818614.db2.gz ZFFXAHAJDLMYCZ-CHWSQXEVSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1ccc(C)cc1C ZINC000425342552 386873295 /nfs/dbraw/zinc/87/32/95/386873295.db2.gz ZFFXAHAJDLMYCZ-OLZOCXBDSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1ccc(C)cc1C ZINC000425342553 386873753 /nfs/dbraw/zinc/87/37/53/386873753.db2.gz ZFFXAHAJDLMYCZ-QWHCGFSZSA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1ccc(C)cc1C ZINC000425342554 386872204 /nfs/dbraw/zinc/87/22/04/386872204.db2.gz ZFFXAHAJDLMYCZ-STQMWFEESA-N 0 0 221.369 3.609 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1cccc2ncccc21 ZINC000425350325 386868318 /nfs/dbraw/zinc/86/83/18/386868318.db2.gz LHTCXFDPAKHIPF-KBPBESRZSA-N 0 0 244.363 3.541 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1cccc2ncccc21 ZINC000425350328 191819253 /nfs/dbraw/zinc/81/92/53/191819253.db2.gz LHTCXFDPAKHIPF-KGLIPLIRSA-N 0 0 244.363 3.541 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1cccc2ncccc21 ZINC000425350331 386867873 /nfs/dbraw/zinc/86/78/73/386867873.db2.gz LHTCXFDPAKHIPF-UONOGXRCSA-N 0 0 244.363 3.541 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1cccc2ncccc21 ZINC000425350334 386868481 /nfs/dbraw/zinc/86/84/81/386868481.db2.gz LHTCXFDPAKHIPF-ZIAGYGMSSA-N 0 0 244.363 3.541 20 0 BHADRN CC[C@H](CN[C@H](C)C(F)(F)F)c1ccccc1 ZINC000425351085 386869843 /nfs/dbraw/zinc/86/98/43/386869843.db2.gz IPNHZNJYLINZLL-GHMZBOCLSA-N 0 0 245.288 3.721 20 0 BHADRN CC[C@@H](CN[C@H](C)C(F)(F)F)c1ccccc1 ZINC000425351088 386869141 /nfs/dbraw/zinc/86/91/41/386869141.db2.gz IPNHZNJYLINZLL-MNOVXSKESA-N 0 0 245.288 3.721 20 0 BHADRN CC[C@@H](CN[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000425351089 386869969 /nfs/dbraw/zinc/86/99/69/386869969.db2.gz IPNHZNJYLINZLL-QWRGUYRKSA-N 0 0 245.288 3.721 20 0 BHADRN CC[C@H](CN[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000425351091 386870719 /nfs/dbraw/zinc/87/07/19/386870719.db2.gz IPNHZNJYLINZLL-WDEREUQCSA-N 0 0 245.288 3.721 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1ccc2ncccc2c1 ZINC000425353285 200801008 /nfs/dbraw/zinc/80/10/08/200801008.db2.gz NHVVRVZXFPNPRX-KBPBESRZSA-N 0 0 244.363 3.541 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1ccc2ncccc2c1 ZINC000425353288 386963043 /nfs/dbraw/zinc/96/30/43/386963043.db2.gz NHVVRVZXFPNPRX-KGLIPLIRSA-N 0 0 244.363 3.541 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1ccc2ncccc2c1 ZINC000425353292 200800542 /nfs/dbraw/zinc/80/05/42/200800542.db2.gz NHVVRVZXFPNPRX-UONOGXRCSA-N 0 0 244.363 3.541 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1ccc2ncccc2c1 ZINC000425353296 386964556 /nfs/dbraw/zinc/96/45/56/386964556.db2.gz NHVVRVZXFPNPRX-ZIAGYGMSSA-N 0 0 244.363 3.541 20 0 BHADRN CC1=CCC[C@@H](C)[C@@H]1CN[C@H](C)C(F)(F)F ZINC000425355812 386966014 /nfs/dbraw/zinc/96/60/14/386966014.db2.gz PMFIZDVCUGCHSI-GMTAPVOTSA-N 0 0 235.293 3.519 20 0 BHADRN CC1=CCC[C@@H](C)[C@H]1CN[C@H](C)C(F)(F)F ZINC000425355814 386965217 /nfs/dbraw/zinc/96/52/17/386965217.db2.gz PMFIZDVCUGCHSI-MXWKQRLJSA-N 0 0 235.293 3.519 20 0 BHADRN CC1=CCC[C@@H](C)[C@@H]1CN[C@@H](C)C(F)(F)F ZINC000425355815 386966286 /nfs/dbraw/zinc/96/62/86/386966286.db2.gz 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WRTTYLBFDNJJAV-CYBMUJFWSA-N 0 0 233.355 3.755 20 0 BHADRN COC1(C[C@H](C)Nc2cccc(C)c2)CCC1 ZINC000429431863 201109055 /nfs/dbraw/zinc/10/90/55/201109055.db2.gz WRTTYLBFDNJJAV-ZDUSSCGKSA-N 0 0 233.355 3.755 20 0 BHADRN COC1(C[C@@H](C)Nc2ccc(C)cc2)CCC1 ZINC000429433431 201108394 /nfs/dbraw/zinc/10/83/94/201108394.db2.gz YHDAYIGFZWULGO-CYBMUJFWSA-N 0 0 233.355 3.755 20 0 BHADRN COC1(C[C@H](C)Nc2ccc(C)cc2)CCC1 ZINC000429433432 201109091 /nfs/dbraw/zinc/10/90/91/201109091.db2.gz YHDAYIGFZWULGO-ZDUSSCGKSA-N 0 0 233.355 3.755 20 0 BHADRN CN(Cc1cc(C(C)(C)C)on1)c1ccccc1 ZINC000429706572 201129656 /nfs/dbraw/zinc/12/96/56/201129656.db2.gz DUTHPRYWRIDJDK-UHFFFAOYSA-N 0 0 244.338 3.609 20 0 BHADRN N#CN(c1ccccc1Cl)C1CCCC1 ZINC000429782899 398225006 /nfs/dbraw/zinc/22/50/06/398225006.db2.gz XGULOPUCPXAXLY-UHFFFAOYSA-N 0 0 220.703 3.570 20 0 BHADRN CC[C@H](C)CN(C#N)c1ccccc1Cl ZINC000429784743 324119974 /nfs/dbraw/zinc/11/99/74/324119974.db2.gz KDJATAAOKWRDHO-JTQLQIEISA-N 0 0 222.719 3.674 20 0 BHADRN CC[C@@H](C)CN(C#N)c1ccccc1Cl ZINC000429784745 324119994 /nfs/dbraw/zinc/11/99/94/324119994.db2.gz KDJATAAOKWRDHO-SNVBAGLBSA-N 0 0 222.719 3.674 20 0 BHADRN CC(C)CCN(C#N)c1ccccc1Cl ZINC000429791128 398225258 /nfs/dbraw/zinc/22/52/58/398225258.db2.gz HVVQACUFJCELLQ-UHFFFAOYSA-N 0 0 222.719 3.674 20 0 BHADRN N#CN(CCC(F)(F)F)c1ccccc1Cl ZINC000429795147 201133447 /nfs/dbraw/zinc/13/34/47/201133447.db2.gz QQWQGUKUNXUYBR-UHFFFAOYSA-N 0 0 248.635 3.580 20 0 BHADRN N#CN(Cc1ccccc1)c1ccccc1Cl ZINC000429796543 201133803 /nfs/dbraw/zinc/13/38/03/201133803.db2.gz XGODEEKOYXWINE-UHFFFAOYSA-N 0 0 242.709 3.828 20 0 BHADRN CCCN(CC(C)C)C(=O)CC1CC(C)(C)C1 ZINC000429806786 201133620 /nfs/dbraw/zinc/13/36/20/201133620.db2.gz HVMRPSGASRQFNT-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN C=Cc1ccc(C(=O)N2C[C@H](C)CC2(C)C)cc1 ZINC000429807808 643976683 /nfs/dbraw/zinc/97/66/83/643976683.db2.gz OJFYDBTYXHKPLJ-GFCCVEGCSA-N 0 0 243.350 3.590 20 0 BHADRN C=Cc1ccc(C(=O)N2C[C@@H](C)CC2(C)C)cc1 ZINC000429807810 643975932 /nfs/dbraw/zinc/97/59/32/643975932.db2.gz OJFYDBTYXHKPLJ-LBPRGKRZSA-N 0 0 243.350 3.590 20 0 BHADRN C[C@H](c1ccco1)N(C)C(=O)CC1CC(C)(C)C1 ZINC000429810288 201132796 /nfs/dbraw/zinc/13/27/96/201132796.db2.gz UMNARDGTDRVCBQ-LLVKDONJSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@@H](c1ccco1)N(C)C(=O)CC1CC(C)(C)C1 ZINC000429810289 201133094 /nfs/dbraw/zinc/13/30/94/201133094.db2.gz UMNARDGTDRVCBQ-NSHDSACASA-N 0 0 249.354 3.625 20 0 BHADRN CCN(C(=O)CC1CC(C)(C)C1)c1ccccc1 ZINC000429826292 201133541 /nfs/dbraw/zinc/13/35/41/201133541.db2.gz JPODWAHJUWZUMS-UHFFFAOYSA-N 0 0 245.366 3.866 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)CC1CC(C)(C)C1 ZINC000429840871 201132305 /nfs/dbraw/zinc/13/23/05/201132305.db2.gz OEXWMWKRNQKYAQ-GFCCVEGCSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)CC1CC(C)(C)C1 ZINC000429840872 201132282 /nfs/dbraw/zinc/13/22/82/201132282.db2.gz OEXWMWKRNQKYAQ-LBPRGKRZSA-N 0 0 239.403 3.754 20 0 BHADRN CC1(C)CC(CC(=O)NC2(C)CCCCC2)C1 ZINC000429883094 201134045 /nfs/dbraw/zinc/13/40/45/201134045.db2.gz GTXAFHDUJDJNQR-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](C1CC1)N(C(=O)CC1CC(C)(C)C1)C1CC1 ZINC000429887258 201135796 /nfs/dbraw/zinc/13/57/96/201135796.db2.gz HWDWXWKTVJGMRL-LLVKDONJSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H](C1CC1)N(C(=O)CC1CC(C)(C)C1)C1CC1 ZINC000429887260 201135670 /nfs/dbraw/zinc/13/56/70/201135670.db2.gz HWDWXWKTVJGMRL-NSHDSACASA-N 0 0 249.398 3.602 20 0 BHADRN CCCCN(C(=O)CC1CC(C)(C)C1)C1CC1 ZINC000429895183 201134248 /nfs/dbraw/zinc/13/42/48/201134248.db2.gz IQLSABMQWKWXRX-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)CC1CC(C)(C)C1)C1CCCCC1 ZINC000429910149 191169939 /nfs/dbraw/zinc/16/99/39/191169939.db2.gz NZKLBBBLRFMYEC-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC000429923831 201137514 /nfs/dbraw/zinc/13/75/14/201137514.db2.gz LXLIAICBGGKMRT-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC000429923833 201136593 /nfs/dbraw/zinc/13/65/93/201136593.db2.gz LXLIAICBGGKMRT-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CCCNc1ccccc1NC(=O)CC1(C)CC1 ZINC000430076123 201140528 /nfs/dbraw/zinc/14/05/28/201140528.db2.gz CUILRSYFQGNQCE-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN COc1cc(N[C@H](C)C(C)C)cc2cccnc21 ZINC000430084658 201141830 /nfs/dbraw/zinc/14/18/30/201141830.db2.gz KPRAUDSSVCRNJY-LLVKDONJSA-N 0 0 244.338 3.700 20 0 BHADRN COc1cc(N[C@@H](C)C(C)C)cc2cccnc21 ZINC000430084660 201142466 /nfs/dbraw/zinc/14/24/66/201142466.db2.gz KPRAUDSSVCRNJY-NSHDSACASA-N 0 0 244.338 3.700 20 0 BHADRN c1n[nH]cc1CS[C@H]1CCCc2ccccc21 ZINC000430087769 201143219 /nfs/dbraw/zinc/14/32/19/201143219.db2.gz FMKFISNYWCZDHD-AWEZNQCLSA-N 0 0 244.363 3.721 20 0 BHADRN c1n[nH]cc1CS[C@@H]1CCCc2ccccc21 ZINC000430087772 201142428 /nfs/dbraw/zinc/14/24/28/201142428.db2.gz FMKFISNYWCZDHD-CQSZACIVSA-N 0 0 244.363 3.721 20 0 BHADRN CCC1(CC)CCN(C(=O)CC2(C)CC2)CC1 ZINC000430088013 201143281 /nfs/dbraw/zinc/14/32/81/201143281.db2.gz UUSQDECMJFOGLL-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCOC1CC(Sc2ccc(C)cc2)C1 ZINC000430092735 201143180 /nfs/dbraw/zinc/14/31/80/201143180.db2.gz AZEQTPIDKBSESG-UHFFFAOYSA-N 0 0 222.353 3.655 20 0 BHADRN CCOC1CC(Sc2cccc(C)c2)C1 ZINC000430094368 201142880 /nfs/dbraw/zinc/14/28/80/201142880.db2.gz KBDYSUQLRQPYCF-UHFFFAOYSA-N 0 0 222.353 3.655 20 0 BHADRN c1n[nH]cc1CSc1ccc2ccccc2c1 ZINC000430099924 201145454 /nfs/dbraw/zinc/14/54/54/201145454.db2.gz MLSPMFJACKFJNI-UHFFFAOYSA-N 0 0 240.331 3.855 20 0 BHADRN Cc1c(NC[C@H]2C[C@@H]2C)cccc1-c1ncco1 ZINC000430100705 201145601 /nfs/dbraw/zinc/14/56/01/201145601.db2.gz VUQOYRWQJJIUKP-CMPLNLGQSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1c(NC[C@@H]2C[C@@H]2C)cccc1-c1ncco1 ZINC000430100708 201144654 /nfs/dbraw/zinc/14/46/54/201144654.db2.gz VUQOYRWQJJIUKP-JQWIXIFHSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1c(NC[C@@H]2C[C@H]2C)cccc1-c1ncco1 ZINC000430100712 201145549 /nfs/dbraw/zinc/14/55/49/201145549.db2.gz VUQOYRWQJJIUKP-PWSUYJOCSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1c(NC[C@H]2C[C@H]2C)cccc1-c1ncco1 ZINC000430100716 201145660 /nfs/dbraw/zinc/14/56/60/201145660.db2.gz VUQOYRWQJJIUKP-ZYHUDNBSSA-N 0 0 242.322 3.718 20 0 BHADRN CCOC1CC(SCc2ccccc2C)C1 ZINC000430102482 201145552 /nfs/dbraw/zinc/14/55/52/201145552.db2.gz QOHDYBQCCNREGX-UHFFFAOYSA-N 0 0 236.380 3.796 20 0 BHADRN CCOC1CC(Sc2ccccc2Cl)C1 ZINC000430102923 201144816 /nfs/dbraw/zinc/14/48/16/201144816.db2.gz PHDONPMFNMSDQB-UHFFFAOYSA-N 0 0 242.771 4.000 20 0 BHADRN CCOC1CC(Sc2ccc(Cl)cc2)C1 ZINC000430103961 201145656 /nfs/dbraw/zinc/14/56/56/201145656.db2.gz IGGYFNBGXFPKCV-UHFFFAOYSA-N 0 0 242.771 4.000 20 0 BHADRN CCOC1CC(SCC2CCCCC2)C1 ZINC000430103996 201145323 /nfs/dbraw/zinc/14/53/23/201145323.db2.gz SRLWJDNAXBJJMM-UHFFFAOYSA-N 0 0 228.401 3.867 20 0 BHADRN CCOC1CC(Sc2cc(F)ccc2F)C1 ZINC000430107029 201144829 /nfs/dbraw/zinc/14/48/29/201144829.db2.gz WJQVTCIYASWJEP-UHFFFAOYSA-N 0 0 244.306 3.624 20 0 BHADRN Cc1nc([C@@H](C)SCC2CCCCC2)no1 ZINC000430108042 201143940 /nfs/dbraw/zinc/14/39/40/201143940.db2.gz YVNCEDHOZKVSQU-SECBINFHSA-N 0 0 240.372 3.753 20 0 BHADRN Cc1nc([C@H](C)SCC2CCCCC2)no1 ZINC000430108043 201144532 /nfs/dbraw/zinc/14/45/32/201144532.db2.gz YVNCEDHOZKVSQU-VIFPVBQESA-N 0 0 240.372 3.753 20 0 BHADRN CCC(CC)Nc1cc2cccnc2c(OC)c1 ZINC000430112631 201144074 /nfs/dbraw/zinc/14/40/74/201144074.db2.gz YKALVVVRCSDEGA-UHFFFAOYSA-N 0 0 244.338 3.844 20 0 BHADRN CC(C)[C@@H](C)Sc1nnc(C2CC2)s1 ZINC000430112899 201145385 /nfs/dbraw/zinc/14/53/85/201145385.db2.gz FQIKVZCVCKRPPQ-SSDOTTSWSA-N 0 0 228.386 3.552 20 0 BHADRN CC(C)[C@H](C)Sc1nnc(C2CC2)s1 ZINC000430112900 201145672 /nfs/dbraw/zinc/14/56/72/201145672.db2.gz FQIKVZCVCKRPPQ-ZETCQYMHSA-N 0 0 228.386 3.552 20 0 BHADRN CCOC1CC(Sc2ccc(C)c(C)c2)C1 ZINC000430114921 201145791 /nfs/dbraw/zinc/14/57/91/201145791.db2.gz AECLJWDFERAHEX-UHFFFAOYSA-N 0 0 236.380 3.963 20 0 BHADRN Cc1nc([C@H](C)Sc2ccc(C)c(C)c2)no1 ZINC000430123164 201147391 /nfs/dbraw/zinc/14/73/91/201147391.db2.gz PDSYLSCJCQMHFN-JTQLQIEISA-N 0 0 248.351 3.848 20 0 BHADRN Cc1nc([C@@H](C)Sc2ccc(C)c(C)c2)no1 ZINC000430123167 201146908 /nfs/dbraw/zinc/14/69/08/201146908.db2.gz PDSYLSCJCQMHFN-SNVBAGLBSA-N 0 0 248.351 3.848 20 0 BHADRN CCOC1CC(Sc2ccc3c(c2)CCC3)C1 ZINC000430126794 201146159 /nfs/dbraw/zinc/14/61/59/201146159.db2.gz DVUAWVOCWFHJLC-UHFFFAOYSA-N 0 0 248.391 3.835 20 0 BHADRN CC(C)c1ccc(SCc2cn[nH]c2)cc1 ZINC000430130441 201147397 /nfs/dbraw/zinc/14/73/97/201147397.db2.gz ISICHIZVMQVLEL-UHFFFAOYSA-N 0 0 232.352 3.825 20 0 BHADRN CCOC1CC(Sc2ccccc2C)C1 ZINC000430131508 201147163 /nfs/dbraw/zinc/14/71/63/201147163.db2.gz MGBLYSOOOGYOEV-UHFFFAOYSA-N 0 0 222.353 3.655 20 0 BHADRN CCOC1CC(Sc2cc(C)ccc2C)C1 ZINC000430139265 201146532 /nfs/dbraw/zinc/14/65/32/201146532.db2.gz JSRFVKCASZYJOF-UHFFFAOYSA-N 0 0 236.380 3.963 20 0 BHADRN CCOC1CC(Sc2cccc(Cl)c2)C1 ZINC000430141503 201147223 /nfs/dbraw/zinc/14/72/23/201147223.db2.gz RJAVAOUSJOISOK-UHFFFAOYSA-N 0 0 242.771 4.000 20 0 BHADRN CCOC1CC(Sc2ccc(C)cc2C)C1 ZINC000430142995 201147481 /nfs/dbraw/zinc/14/74/81/201147481.db2.gz WFOAKRBAMFRLQS-UHFFFAOYSA-N 0 0 236.380 3.963 20 0 BHADRN CCOC1CC(Sc2ccc(F)c(F)c2)C1 ZINC000430145733 201147443 /nfs/dbraw/zinc/14/74/43/201147443.db2.gz HCYYNDWOBTVKEI-UHFFFAOYSA-N 0 0 244.306 3.624 20 0 BHADRN Cc1ccoc1CN(C)Cc1cc(C)ccc1F ZINC000430153705 201147202 /nfs/dbraw/zinc/14/72/02/201147202.db2.gz VTUWBADYHUXAQV-UHFFFAOYSA-N 0 0 247.313 3.668 20 0 BHADRN CCNc1cc(C)ccc1NC(=O)CC1(C)CC1 ZINC000430198126 201150580 /nfs/dbraw/zinc/15/05/80/201150580.db2.gz XYSPDWQCVWXJSB-UHFFFAOYSA-N 0 0 246.354 3.556 20 0 BHADRN CC[C@@H]1CCN1Cc1ccc(C(F)(F)F)s1 ZINC000430204676 201153863 /nfs/dbraw/zinc/15/38/63/201153863.db2.gz LZBNCDOBTPJWLE-MRVPVSSYSA-N 0 0 249.301 3.751 20 0 BHADRN CC[C@H]1CCN1Cc1ccc(C(F)(F)F)s1 ZINC000430204678 201155083 /nfs/dbraw/zinc/15/50/83/201155083.db2.gz LZBNCDOBTPJWLE-QMMMGPOBSA-N 0 0 249.301 3.751 20 0 BHADRN CC[C@@H]1CCN1Cc1cscc1C(F)(F)F ZINC000430205830 201154328 /nfs/dbraw/zinc/15/43/28/201154328.db2.gz NLPOGDHGHOCVKN-SECBINFHSA-N 0 0 249.301 3.751 20 0 BHADRN CC[C@H]1CCN1Cc1cscc1C(F)(F)F ZINC000430205831 201152825 /nfs/dbraw/zinc/15/28/25/201152825.db2.gz NLPOGDHGHOCVKN-VIFPVBQESA-N 0 0 249.301 3.751 20 0 BHADRN C[C@H]1CC(C(=O)N[C@H]2CC23CCCC3)C[C@H](C)C1 ZINC000430206675 201153786 /nfs/dbraw/zinc/15/37/86/201153786.db2.gz XSHGWPPGQMHJRM-BZPMIXESSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1C[C@H](C(=O)N[C@H]2CC23CCCC3)C[C@@H](C)C1 ZINC000430206678 201154056 /nfs/dbraw/zinc/15/40/56/201154056.db2.gz XSHGWPPGQMHJRM-DGAVXFQQSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1CC(C(=O)N[C@@H]2CC23CCCC3)C[C@H](C)C1 ZINC000430206681 201153138 /nfs/dbraw/zinc/15/31/38/201153138.db2.gz XSHGWPPGQMHJRM-YRGRVCCFSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1C[C@H](C(=O)N[C@@H]2CC23CCCC3)C[C@@H](C)C1 ZINC000430206683 201153538 /nfs/dbraw/zinc/15/35/38/201153538.db2.gz XSHGWPPGQMHJRM-ZOBORPQBSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@H]1CC12CCCC2)C(C)(C)C ZINC000430211613 201153720 /nfs/dbraw/zinc/15/37/20/201153720.db2.gz JKGAGHAISQRZAC-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC(=O)N[C@@H]1CC12CCCC2)C(C)(C)C ZINC000430211614 201153332 /nfs/dbraw/zinc/15/33/32/201153332.db2.gz JKGAGHAISQRZAC-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC(=O)N[C@H]1CC12CCCC2)C(C)(C)C ZINC000430211615 201155014 /nfs/dbraw/zinc/15/50/14/201155014.db2.gz JKGAGHAISQRZAC-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1CC12CCCC2)C(C)(C)C ZINC000430211617 201153662 /nfs/dbraw/zinc/15/36/62/201153662.db2.gz JKGAGHAISQRZAC-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)CCCC(=O)N[C@@H]1CC12CCCC2 ZINC000430211863 201155090 /nfs/dbraw/zinc/15/50/90/201155090.db2.gz BMABULKLGNYUJL-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)(C)CCCC(=O)N[C@H]1CC12CCCC2 ZINC000430211864 201155037 /nfs/dbraw/zinc/15/50/37/201155037.db2.gz BMABULKLGNYUJL-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2CC23CCCC3)CCC1 ZINC000430212668 201153825 /nfs/dbraw/zinc/15/38/25/201153825.db2.gz PEETTWIWTXMHIJ-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)CC1(C(=O)N[C@H]2CC23CCCC3)CCC1 ZINC000430212669 201154975 /nfs/dbraw/zinc/15/49/75/201154975.db2.gz PEETTWIWTXMHIJ-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN CCC1(C(=O)N[C@@H]2CC23CCCC3)CCCCC1 ZINC000430214520 201154767 /nfs/dbraw/zinc/15/47/67/201154767.db2.gz ZTHYCUWXUJNMCM-CYBMUJFWSA-N 0 0 249.398 3.796 20 0 BHADRN CCC1(C(=O)N[C@H]2CC23CCCC3)CCCCC1 ZINC000430214521 201153423 /nfs/dbraw/zinc/15/34/23/201153423.db2.gz ZTHYCUWXUJNMCM-ZDUSSCGKSA-N 0 0 249.398 3.796 20 0 BHADRN CC1(C(=O)N[C@@H]2CC23CCCC3)CCCCCC1 ZINC000430215950 201153344 /nfs/dbraw/zinc/15/33/44/201153344.db2.gz FVILUUFOWDYBGX-CYBMUJFWSA-N 0 0 249.398 3.796 20 0 BHADRN CC1(C(=O)N[C@H]2CC23CCCC3)CCCCCC1 ZINC000430215951 201154029 /nfs/dbraw/zinc/15/40/29/201154029.db2.gz FVILUUFOWDYBGX-ZDUSSCGKSA-N 0 0 249.398 3.796 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N[C@@H]1CC12CCCC2 ZINC000430219444 201155071 /nfs/dbraw/zinc/15/50/71/201155071.db2.gz NYHXRNLQLPTRLV-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N[C@H]1CC12CCCC2 ZINC000430219446 201154961 /nfs/dbraw/zinc/15/49/61/201154961.db2.gz NYHXRNLQLPTRLV-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)C[C@H](C)CC(=O)N[C@@H]1CC12CCCC2 ZINC000430219448 201153879 /nfs/dbraw/zinc/15/38/79/201153879.db2.gz NYHXRNLQLPTRLV-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)C[C@H](C)CC(=O)N[C@H]1CC12CCCC2 ZINC000430219451 201155130 /nfs/dbraw/zinc/15/51/30/201155130.db2.gz NYHXRNLQLPTRLV-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N[C@H]1CC12CCCC2 ZINC000430223233 201153694 /nfs/dbraw/zinc/15/36/94/201153694.db2.gz UQCKZBDALPPFAL-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC12CCCC2 ZINC000430223235 201153910 /nfs/dbraw/zinc/15/39/10/201153910.db2.gz UQCKZBDALPPFAL-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC12CCCC2 ZINC000430223237 201153210 /nfs/dbraw/zinc/15/32/10/201153210.db2.gz UQCKZBDALPPFAL-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CC12CCCC2 ZINC000430223239 201154909 /nfs/dbraw/zinc/15/49/09/201154909.db2.gz UQCKZBDALPPFAL-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)N[C@@H]1CC12CCCC2 ZINC000430223493 201154133 /nfs/dbraw/zinc/15/41/33/201154133.db2.gz WJFWWNFDCQMWLW-GXTWGEPZSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)N[C@H]1CC12CCCC2 ZINC000430223494 201154480 /nfs/dbraw/zinc/15/44/80/201154480.db2.gz WJFWWNFDCQMWLW-JSGCOSHPSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)N[C@H]1CC12CCCC2 ZINC000430223495 201155127 /nfs/dbraw/zinc/15/51/27/201155127.db2.gz WJFWWNFDCQMWLW-OCCSQVGLSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)N[C@@H]1CC12CCCC2 ZINC000430223496 201154548 /nfs/dbraw/zinc/15/45/48/201154548.db2.gz WJFWWNFDCQMWLW-TZMCWYRMSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CC23CCCC3)C1 ZINC000430226426 201157137 /nfs/dbraw/zinc/15/71/37/201157137.db2.gz AIOQHMGZKDMROQ-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)N[C@H]2CC23CCCC3)C1 ZINC000430226427 201157074 /nfs/dbraw/zinc/15/70/74/201157074.db2.gz AIOQHMGZKDMROQ-MCIONIFRSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CC23CCCC3)C1 ZINC000430226428 201155667 /nfs/dbraw/zinc/15/56/67/201155667.db2.gz AIOQHMGZKDMROQ-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)N[C@H]2CC23CCCC3)C1 ZINC000430226430 201156425 /nfs/dbraw/zinc/15/64/25/201156425.db2.gz AIOQHMGZKDMROQ-RDBSUJKOSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@@H](C(=O)N[C@@H]2CC23CCCC3)C1 ZINC000430226818 201155655 /nfs/dbraw/zinc/15/56/55/201155655.db2.gz NHCUFRVOFIKMAG-CHWSQXEVSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@@H](C(=O)N[C@H]2CC23CCCC3)C1 ZINC000430226820 201155512 /nfs/dbraw/zinc/15/55/12/201155512.db2.gz NHCUFRVOFIKMAG-OLZOCXBDSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@H](C(=O)N[C@@H]2CC23CCCC3)C1 ZINC000430226821 201156541 /nfs/dbraw/zinc/15/65/41/201156541.db2.gz NHCUFRVOFIKMAG-QWHCGFSZSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@H](C(=O)N[C@H]2CC23CCCC3)C1 ZINC000430226823 385629043 /nfs/dbraw/zinc/62/90/43/385629043.db2.gz NHCUFRVOFIKMAG-STQMWFEESA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC(C(=O)N[C@@H]2CC23CCCC3)CC1 ZINC000430229139 201156701 /nfs/dbraw/zinc/15/67/01/201156701.db2.gz FORGBLXLDSCAIV-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC(C(=O)N[C@H]2CC23CCCC3)CC1 ZINC000430229141 201155663 /nfs/dbraw/zinc/15/56/63/201155663.db2.gz FORGBLXLDSCAIV-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CC1CCCCCC1)N[C@H]1CC12CCCC2 ZINC000430231566 201157072 /nfs/dbraw/zinc/15/70/72/201157072.db2.gz KFGMZEVXBUFUSP-AWEZNQCLSA-N 0 0 249.398 3.796 20 0 BHADRN O=C(CC1CCCCCC1)N[C@@H]1CC12CCCC2 ZINC000430231568 201156752 /nfs/dbraw/zinc/15/67/52/201156752.db2.gz KFGMZEVXBUFUSP-CQSZACIVSA-N 0 0 249.398 3.796 20 0 BHADRN CC1(CC(=O)N[C@@H]2CC23CCCC3)CCCCC1 ZINC000430239980 201156405 /nfs/dbraw/zinc/15/64/05/201156405.db2.gz OCNNYDKNCSJVHB-CYBMUJFWSA-N 0 0 249.398 3.796 20 0 BHADRN CC1(CC(=O)N[C@H]2CC23CCCC3)CCCCC1 ZINC000430239981 201157141 /nfs/dbraw/zinc/15/71/41/201157141.db2.gz OCNNYDKNCSJVHB-ZDUSSCGKSA-N 0 0 249.398 3.796 20 0 BHADRN O=C(CCC1CCCCC1)N[C@H]1CC12CCCC2 ZINC000430243957 201156215 /nfs/dbraw/zinc/15/62/15/201156215.db2.gz VWBZMLONKUNYBG-AWEZNQCLSA-N 0 0 249.398 3.796 20 0 BHADRN O=C(CCC1CCCCC1)N[C@@H]1CC12CCCC2 ZINC000430243958 201157119 /nfs/dbraw/zinc/15/71/19/201157119.db2.gz VWBZMLONKUNYBG-CQSZACIVSA-N 0 0 249.398 3.796 20 0 BHADRN CCCC(CCC)C(=O)N[C@@H]1CC12CCCC2 ZINC000430244485 201156373 /nfs/dbraw/zinc/15/63/73/201156373.db2.gz XZUJFLMEAKLZEW-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC(CCC)C(=O)N[C@H]1CC12CCCC2 ZINC000430244486 201155324 /nfs/dbraw/zinc/15/53/24/201155324.db2.gz XZUJFLMEAKLZEW-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@@H](C(=O)N[C@@H]1CC12CCCC2)C(C)C ZINC000430246100 201156669 /nfs/dbraw/zinc/15/66/69/201156669.db2.gz QZOPDUJRGWQGAA-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H](C(=O)N[C@H]1CC12CCCC2)C(C)C ZINC000430246103 201156672 /nfs/dbraw/zinc/15/66/72/201156672.db2.gz QZOPDUJRGWQGAA-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](C(=O)N[C@@H]1CC12CCCC2)C(C)C ZINC000430246104 201156459 /nfs/dbraw/zinc/15/64/59/201156459.db2.gz QZOPDUJRGWQGAA-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](C(=O)N[C@H]1CC12CCCC2)C(C)C ZINC000430246107 201155350 /nfs/dbraw/zinc/15/53/50/201155350.db2.gz QZOPDUJRGWQGAA-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@H]2CC23CCCC3)CC1 ZINC000430246405 201155355 /nfs/dbraw/zinc/15/53/55/201155355.db2.gz RRMHIHVCPTWKLI-IHRRRGAJSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@@H]2CC23CCCC3)CC1 ZINC000430246407 201157146 /nfs/dbraw/zinc/15/71/46/201157146.db2.gz RRMHIHVCPTWKLI-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@H](CC(=O)N[C@@H]1CC12CCCC2)C(C)C ZINC000430246699 201156790 /nfs/dbraw/zinc/15/67/90/201156790.db2.gz SOBZHABWCCEVLE-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](CC(=O)N[C@H]1CC12CCCC2)C(C)C ZINC000430246701 201156312 /nfs/dbraw/zinc/15/63/12/201156312.db2.gz SOBZHABWCCEVLE-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](CC(=O)N[C@@H]1CC12CCCC2)C(C)C ZINC000430246702 201155782 /nfs/dbraw/zinc/15/57/82/201155782.db2.gz SOBZHABWCCEVLE-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](CC(=O)N[C@H]1CC12CCCC2)C(C)C ZINC000430246704 201156963 /nfs/dbraw/zinc/15/69/63/201156963.db2.gz SOBZHABWCCEVLE-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN O=C(CCCC1CCCC1)N[C@H]1CC12CCCC2 ZINC000430246886 201156347 /nfs/dbraw/zinc/15/63/47/201156347.db2.gz XWENKTQDURCFKZ-AWEZNQCLSA-N 0 0 249.398 3.796 20 0 BHADRN O=C(CCCC1CCCC1)N[C@@H]1CC12CCCC2 ZINC000430246887 201156256 /nfs/dbraw/zinc/15/62/56/201156256.db2.gz XWENKTQDURCFKZ-CQSZACIVSA-N 0 0 249.398 3.796 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N[C@H]1CC12CCCC2 ZINC000430252314 201157552 /nfs/dbraw/zinc/15/75/52/201157552.db2.gz GDRVSMTYTSKGRM-AAEUAGOBSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N[C@@H]1CC12CCCC2 ZINC000430252315 201157657 /nfs/dbraw/zinc/15/76/57/201157657.db2.gz GDRVSMTYTSKGRM-DGCLKSJQSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N[C@@H]1CC12CCCC2 ZINC000430252316 201158261 /nfs/dbraw/zinc/15/82/61/201158261.db2.gz GDRVSMTYTSKGRM-WCQYABFASA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N[C@H]1CC12CCCC2 ZINC000430252317 201157880 /nfs/dbraw/zinc/15/78/80/201157880.db2.gz GDRVSMTYTSKGRM-YPMHNXCESA-N 0 0 237.387 3.508 20 0 BHADRN CC1CCC(CC(=O)N[C@@H]2CC23CCCC3)CC1 ZINC000430252566 201158013 /nfs/dbraw/zinc/15/80/13/201158013.db2.gz GNFYWMCSUKLRHK-JXQTWKCFSA-N 0 0 249.398 3.652 20 0 BHADRN CC1CCC(CC(=O)N[C@H]2CC23CCCC3)CC1 ZINC000430252567 201157371 /nfs/dbraw/zinc/15/73/71/201157371.db2.gz GNFYWMCSUKLRHK-RUXDESIVSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)(C(=O)N[C@@H]1CC12CCCC2)C1CCCC1 ZINC000430255817 191536951 /nfs/dbraw/zinc/53/69/51/191536951.db2.gz XAWZZVDNDREWCN-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)(C(=O)N[C@H]1CC12CCCC2)C1CCCC1 ZINC000430255818 191537615 /nfs/dbraw/zinc/53/76/15/191537615.db2.gz XAWZZVDNDREWCN-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC[C@@H](CC)C(=O)N[C@@H]1CC12CCCC2 ZINC000430258728 192862226 /nfs/dbraw/zinc/86/22/26/192862226.db2.gz PNPPEEABDVVBNZ-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@@H](CC)C(=O)N[C@H]1CC12CCCC2 ZINC000430258730 192862964 /nfs/dbraw/zinc/86/29/64/192862964.db2.gz PNPPEEABDVVBNZ-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@@H]1CC12CCCC2 ZINC000430258732 387601533 /nfs/dbraw/zinc/60/15/33/387601533.db2.gz PNPPEEABDVVBNZ-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@H]1CC12CCCC2 ZINC000430258733 387601527 /nfs/dbraw/zinc/60/15/27/387601527.db2.gz PNPPEEABDVVBNZ-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)CC(C)(C)C(=O)N[C@@H]1CC12CCCC2 ZINC000430260034 387600880 /nfs/dbraw/zinc/60/08/80/387600880.db2.gz REYKRVRRZJTPBR-GFCCVEGCSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC(C)(C)C(=O)N[C@H]1CC12CCCC2 ZINC000430260036 387601091 /nfs/dbraw/zinc/60/10/91/387601091.db2.gz REYKRVRRZJTPBR-LBPRGKRZSA-N 0 0 237.387 3.508 20 0 BHADRN CC1=C[C@@H](C)C[N@H+](Cc2cc3ccccc3o2)C1 ZINC000430265271 387603133 /nfs/dbraw/zinc/60/31/33/387603133.db2.gz DOXFSPWNLOKLGY-GFCCVEGCSA-N 0 0 241.334 3.831 20 0 BHADRN CC1=C[C@H](C)C[N@H+](Cc2cc3ccccc3o2)C1 ZINC000430265272 387602201 /nfs/dbraw/zinc/60/22/01/387602201.db2.gz DOXFSPWNLOKLGY-LBPRGKRZSA-N 0 0 241.334 3.831 20 0 BHADRN CC1=C[C@H](C)C[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000430266221 387602942 /nfs/dbraw/zinc/60/29/42/387602942.db2.gz BYQGLNVWWVWAJT-AAEUAGOBSA-N 0 0 233.330 3.785 20 0 BHADRN CC1=C[C@@H](C)C[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000430266222 387602959 /nfs/dbraw/zinc/60/29/59/387602959.db2.gz BYQGLNVWWVWAJT-DGCLKSJQSA-N 0 0 233.330 3.785 20 0 BHADRN CC1=C[C@H](C)C[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000430266223 387603778 /nfs/dbraw/zinc/60/37/78/387603778.db2.gz BYQGLNVWWVWAJT-WCQYABFASA-N 0 0 233.330 3.785 20 0 BHADRN CC1=C[C@@H](C)C[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000430266224 387602973 /nfs/dbraw/zinc/60/29/73/387602973.db2.gz BYQGLNVWWVWAJT-YPMHNXCESA-N 0 0 233.330 3.785 20 0 BHADRN CC1=C[C@@H](C)C[N@H+](C/C=C\c2ccccc2)C1 ZINC000430267732 387603873 /nfs/dbraw/zinc/60/38/73/387603873.db2.gz KSVSUEYJBIRABU-DEBLGDTFSA-N 0 0 227.351 3.598 20 0 BHADRN CC1=C[C@H](C)C[N@H+](C/C=C/c2ccccc2)C1 ZINC000430267733 387602834 /nfs/dbraw/zinc/60/28/34/387602834.db2.gz KSVSUEYJBIRABU-MRZGDXHCSA-N 0 0 227.351 3.598 20 0 BHADRN CC1=C[C@H](C)C[N@H+](C/C=C\c2ccccc2)C1 ZINC000430267734 387603934 /nfs/dbraw/zinc/60/39/34/387603934.db2.gz KSVSUEYJBIRABU-PIZKADEWSA-N 0 0 227.351 3.598 20 0 BHADRN CC1=C[C@@H](C)C[N@H+](C/C=C/c2ccccc2)C1 ZINC000430267735 387602213 /nfs/dbraw/zinc/60/22/13/387602213.db2.gz KSVSUEYJBIRABU-VIIAAUOXSA-N 0 0 227.351 3.598 20 0 BHADRN CCc1occc1C(=O)NCCC1CCCCC1 ZINC000430310468 192867297 /nfs/dbraw/zinc/86/72/97/192867297.db2.gz BDPAVXRSMUYRSK-UHFFFAOYSA-N 0 0 249.354 3.542 20 0 BHADRN CCc1occc1C(=O)NCCCC1CCCC1 ZINC000430331867 387611950 /nfs/dbraw/zinc/61/19/50/387611950.db2.gz OPUIQFQFDPYBMQ-UHFFFAOYSA-N 0 0 249.354 3.542 20 0 BHADRN CCCC[C@H](CC)CC(=O)NC1CC(F)(F)C1 ZINC000430362949 387612486 /nfs/dbraw/zinc/61/24/86/387612486.db2.gz FXRSNABWEKTDFB-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@@H](CC)CC(=O)NC1CC(F)(F)C1 ZINC000430362950 192870335 /nfs/dbraw/zinc/87/03/35/192870335.db2.gz FXRSNABWEKTDFB-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCc1occc1C(=O)N[C@H]1CCCC[C@@H]1CC ZINC000430394367 192870137 /nfs/dbraw/zinc/87/01/37/192870137.db2.gz BSKAGAHQZWYCOG-AAEUAGOBSA-N 0 0 249.354 3.541 20 0 BHADRN CCc1occc1C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000430394368 387615414 /nfs/dbraw/zinc/61/54/14/387615414.db2.gz BSKAGAHQZWYCOG-DGCLKSJQSA-N 0 0 249.354 3.541 20 0 BHADRN CCc1occc1C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000430394369 387615389 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398234166 /nfs/dbraw/zinc/23/41/66/398234166.db2.gz SLWDUIVWRAUXIH-VIFPVBQESA-N 0 0 242.340 3.577 20 0 BHADRN CC/C=C\CCSCC1CCC(O)CC1 ZINC000431119657 192905496 /nfs/dbraw/zinc/90/54/96/192905496.db2.gz RQPFPIAMRJTPSJ-ARJAWSKDSA-N 0 0 228.401 3.627 20 0 BHADRN CC/C=C/CCSCC1CCC(O)CC1 ZINC000431119658 387677249 /nfs/dbraw/zinc/67/72/49/387677249.db2.gz RQPFPIAMRJTPSJ-ONEGZZNKSA-N 0 0 228.401 3.627 20 0 BHADRN CC(C)(C)CCSCC1CCC(O)CC1 ZINC000431127652 192905596 /nfs/dbraw/zinc/90/55/96/192905596.db2.gz SWTBEAQUGJDTCC-UHFFFAOYSA-N 0 0 230.417 3.707 20 0 BHADRN CC(C)C[C@H](C)CSCC1CCC(O)CC1 ZINC000431133657 387678647 /nfs/dbraw/zinc/67/86/47/387678647.db2.gz CHNJBBYZKFNYEC-HSBZDZAISA-N 0 0 244.444 3.953 20 0 BHADRN CC(C)C[C@@H](C)CSCC1CCC(O)CC1 ZINC000431133659 192905247 /nfs/dbraw/zinc/90/52/47/192905247.db2.gz CHNJBBYZKFNYEC-IYXRBSQSSA-N 0 0 244.444 3.953 20 0 BHADRN CC1(C)CCC[C@@H](CC(=O)N[C@@H]2C[C@H]2C2CC2)C1 ZINC000431141425 387679879 /nfs/dbraw/zinc/67/98/79/387679879.db2.gz YVCMXTFVYWCQSP-FPMFFAJLSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCC[C@H](CC(=O)N[C@@H]2C[C@H]2C2CC2)C1 ZINC000431141426 192906408 /nfs/dbraw/zinc/90/64/08/192906408.db2.gz YVCMXTFVYWCQSP-KWCYVHTRSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431141610 192906398 /nfs/dbraw/zinc/90/63/98/192906398.db2.gz XGOOBQNEIDGJGS-AEGPPILISA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431141611 387679797 /nfs/dbraw/zinc/67/97/97/387679797.db2.gz XGOOBQNEIDGJGS-VHDGCEQUSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431143671 387679673 /nfs/dbraw/zinc/67/96/73/387679673.db2.gz MIKIZQBIQSDNNC-BYCMXARLSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431143672 192906517 /nfs/dbraw/zinc/90/65/17/192906517.db2.gz MIKIZQBIQSDNNC-TUKIKUTGSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2C[C@H]2C2CC2)CCCC1 ZINC000431144090 192906254 /nfs/dbraw/zinc/90/62/54/192906254.db2.gz QKXFALLGGPHHKQ-UONOGXRCSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431152163 201158976 /nfs/dbraw/zinc/15/89/76/201158976.db2.gz MFJUKTPYJSKJNV-HZSPNIEDSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431152164 201158988 /nfs/dbraw/zinc/15/89/88/201158988.db2.gz MFJUKTPYJSKJNV-MELADBBJSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1C[C@H]1C1CC1)C1CCCCC1 ZINC000431154765 387682762 /nfs/dbraw/zinc/68/27/62/387682762.db2.gz YHYOOVMGMKWZPG-BYCMXARLSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H](CC(=O)N[C@@H]1C[C@H]1C1CC1)C1CCCCC1 ZINC000431154766 387681474 /nfs/dbraw/zinc/68/14/74/387681474.db2.gz YHYOOVMGMKWZPG-TUKIKUTGSA-N 0 0 249.398 3.508 20 0 BHADRN O=C(CCCC1CCCCC1)N[C@@H]1C[C@H]1C1CC1 ZINC000431162364 387682269 /nfs/dbraw/zinc/68/22/69/387682269.db2.gz SCBBXFCNKVYDME-LSDHHAIUSA-N 0 0 249.398 3.652 20 0 BHADRN Cc1ccc(C)c([S@@](=O)CCCC(C)C)c1 ZINC000431168369 387683481 /nfs/dbraw/zinc/68/34/81/387683481.db2.gz HUIZALMENQVJMR-INIZCTEOSA-N 0 0 238.396 3.847 20 0 BHADRN Cc1ccc(C)c([S@](=O)CCCC(C)C)c1 ZINC000431168370 387683885 /nfs/dbraw/zinc/68/38/85/387683885.db2.gz HUIZALMENQVJMR-MRXNPFEDSA-N 0 0 238.396 3.847 20 0 BHADRN Cc1ccc([S@@](=O)CCCC(C)C)c(C)c1 ZINC000431168971 387684870 /nfs/dbraw/zinc/68/48/70/387684870.db2.gz JWCRDHZMCFUACV-INIZCTEOSA-N 0 0 238.396 3.847 20 0 BHADRN Cc1ccc([S@](=O)CCCC(C)C)c(C)c1 ZINC000431168972 387683467 /nfs/dbraw/zinc/68/34/67/387683467.db2.gz JWCRDHZMCFUACV-MRXNPFEDSA-N 0 0 238.396 3.847 20 0 BHADRN CC(C)CCC[S@](=O)CC1CCCCC1 ZINC000431169723 192907018 /nfs/dbraw/zinc/90/70/18/192907018.db2.gz NDWSEHLLEJTCPZ-HNNXBMFYSA-N 0 0 230.417 3.752 20 0 BHADRN CC(C)CCC[S@@](=O)CC1CCCCC1 ZINC000431169724 192907870 /nfs/dbraw/zinc/90/78/70/192907870.db2.gz NDWSEHLLEJTCPZ-OAHLLOKOSA-N 0 0 230.417 3.752 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431169926 387684499 /nfs/dbraw/zinc/68/44/99/387684499.db2.gz UXSPCENVGWQNCP-FPMFFAJLSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431169927 387680786 /nfs/dbraw/zinc/68/07/86/387680786.db2.gz UXSPCENVGWQNCP-KWCYVHTRSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)(CC)[S@@](=O)CCCCCOC ZINC000431171299 192908767 /nfs/dbraw/zinc/90/87/67/192908767.db2.gz FISGVRLIUIPCOH-INIZCTEOSA-N 0 0 248.432 3.521 20 0 BHADRN CCC(CC)(CC)[S@](=O)CCCCCOC ZINC000431171302 192908802 /nfs/dbraw/zinc/90/88/02/192908802.db2.gz FISGVRLIUIPCOH-MRXNPFEDSA-N 0 0 248.432 3.521 20 0 BHADRN CC1(C)CCC(CC(=O)N[C@@H]2C[C@H]2C2CC2)CC1 ZINC000431173015 192908578 /nfs/dbraw/zinc/90/85/78/192908578.db2.gz NFQNCVPPHKQOFC-UONOGXRCSA-N 0 0 249.398 3.508 20 0 BHADRN CCC(CC)(CC)[S@@](=O)CCC1CC1 ZINC000431176472 387684466 /nfs/dbraw/zinc/68/44/66/387684466.db2.gz UDRKNHMIWSCRIY-AWEZNQCLSA-N 0 0 216.390 3.504 20 0 BHADRN CCC(CC)(CC)[S@](=O)CCC1CC1 ZINC000431176474 192908692 /nfs/dbraw/zinc/90/86/92/192908692.db2.gz UDRKNHMIWSCRIY-CQSZACIVSA-N 0 0 216.390 3.504 20 0 BHADRN CC(C)C(C)(C)[S@@](=O)Cc1ccc(F)cc1 ZINC000431185059 387685758 /nfs/dbraw/zinc/68/57/58/387685758.db2.gz XTESNOHHBOHFFL-INIZCTEOSA-N 0 0 242.359 3.509 20 0 BHADRN CC(C)C(C)(C)[S@](=O)Cc1ccc(F)cc1 ZINC000431185060 387686658 /nfs/dbraw/zinc/68/66/58/387686658.db2.gz XTESNOHHBOHFFL-MRXNPFEDSA-N 0 0 242.359 3.509 20 0 BHADRN CC(C)CCC[S@](=O)c1ccc(F)c(F)c1 ZINC000431185755 387686787 /nfs/dbraw/zinc/68/67/87/387686787.db2.gz APJTVZYRZDONRO-INIZCTEOSA-N 0 0 246.322 3.509 20 0 BHADRN CC(C)CCC[S@@](=O)c1ccc(F)c(F)c1 ZINC000431185756 387685490 /nfs/dbraw/zinc/68/54/90/387685490.db2.gz APJTVZYRZDONRO-MRXNPFEDSA-N 0 0 246.322 3.509 20 0 BHADRN CC(C)CCC[S@](=O)c1ccc(F)cc1F ZINC000431186022 387686394 /nfs/dbraw/zinc/68/63/94/387686394.db2.gz CXQPVBJIFACTMO-INIZCTEOSA-N 0 0 246.322 3.509 20 0 BHADRN CC(C)CCC[S@@](=O)c1ccc(F)cc1F ZINC000431186023 387687107 /nfs/dbraw/zinc/68/71/07/387687107.db2.gz CXQPVBJIFACTMO-MRXNPFEDSA-N 0 0 246.322 3.509 20 0 BHADRN Cc1ccccc1C[S@](=O)C(C)(C)C(C)C ZINC000431186218 387686064 /nfs/dbraw/zinc/68/60/64/387686064.db2.gz FMHPCRWUDMLNIU-INIZCTEOSA-N 0 0 238.396 3.678 20 0 BHADRN Cc1ccccc1C[S@@](=O)C(C)(C)C(C)C ZINC000431186219 387684654 /nfs/dbraw/zinc/68/46/54/387684654.db2.gz FMHPCRWUDMLNIU-MRXNPFEDSA-N 0 0 238.396 3.678 20 0 BHADRN CC(C)CCC[S@](=O)c1cc(F)ccc1F ZINC000431186307 387686631 /nfs/dbraw/zinc/68/66/31/387686631.db2.gz GEDWIVQAWVXYLN-INIZCTEOSA-N 0 0 246.322 3.509 20 0 BHADRN CC(C)CCC[S@@](=O)c1cc(F)ccc1F ZINC000431186308 387687083 /nfs/dbraw/zinc/68/70/83/387687083.db2.gz GEDWIVQAWVXYLN-MRXNPFEDSA-N 0 0 246.322 3.509 20 0 BHADRN CC(C)CCCS(=O)CCCC(C)C ZINC000431186988 387686055 /nfs/dbraw/zinc/68/60/55/387686055.db2.gz LPLFWNQBTBGZLC-UHFFFAOYSA-N 0 0 218.406 3.608 20 0 BHADRN Cc1cccc(C[S@](=O)C(C)(C)C(C)C)c1 ZINC000431188052 387685592 /nfs/dbraw/zinc/68/55/92/387685592.db2.gz UPHNDWUJXVBVQW-INIZCTEOSA-N 0 0 238.396 3.678 20 0 BHADRN Cc1cccc(C[S@@](=O)C(C)(C)C(C)C)c1 ZINC000431188053 387686576 /nfs/dbraw/zinc/68/65/76/387686576.db2.gz UPHNDWUJXVBVQW-MRXNPFEDSA-N 0 0 238.396 3.678 20 0 BHADRN CC(C)CCC[S@](=O)C1CCCCC1 ZINC000431189891 387686039 /nfs/dbraw/zinc/68/60/39/387686039.db2.gz FOWQRNJGQGWGQE-AWEZNQCLSA-N 0 0 216.390 3.504 20 0 BHADRN CC(C)CCC[S@@](=O)C1CCCCC1 ZINC000431189892 192909712 /nfs/dbraw/zinc/90/97/12/192909712.db2.gz FOWQRNJGQGWGQE-CQSZACIVSA-N 0 0 216.390 3.504 20 0 BHADRN CCCCC[S@](=O)C(CC)(CC)CC ZINC000431192402 387685875 /nfs/dbraw/zinc/68/58/75/387685875.db2.gz MGMWHIVHYSGDGI-AWEZNQCLSA-N 0 0 218.406 3.894 20 0 BHADRN CCCCC[S@@](=O)C(CC)(CC)CC ZINC000431192403 387685727 /nfs/dbraw/zinc/68/57/27/387685727.db2.gz MGMWHIVHYSGDGI-CQSZACIVSA-N 0 0 218.406 3.894 20 0 BHADRN Cc1ccccc1[S@@](=O)CCCC(C)C ZINC000431194011 387686797 /nfs/dbraw/zinc/68/67/97/387686797.db2.gz RMGVSXMJYRDCSY-HNNXBMFYSA-N 0 0 224.369 3.539 20 0 BHADRN Cc1ccccc1[S@](=O)CCCC(C)C ZINC000431194012 387685942 /nfs/dbraw/zinc/68/59/42/387685942.db2.gz RMGVSXMJYRDCSY-OAHLLOKOSA-N 0 0 224.369 3.539 20 0 BHADRN CCC(CC)(CC)[S@@](=O)CCCOC(C)C ZINC000431194031 387687141 /nfs/dbraw/zinc/68/71/41/387687141.db2.gz RPYDTWCUTYJUAC-INIZCTEOSA-N 0 0 248.432 3.519 20 0 BHADRN CCC(CC)(CC)[S@](=O)CCCOC(C)C ZINC000431194032 387686550 /nfs/dbraw/zinc/68/65/50/387686550.db2.gz RPYDTWCUTYJUAC-MRXNPFEDSA-N 0 0 248.432 3.519 20 0 BHADRN CC(C)CCC[S@](=O)c1cccc(Cl)c1 ZINC000431197509 387688855 /nfs/dbraw/zinc/68/88/55/387688855.db2.gz KQDIQIWRARUSQP-HNNXBMFYSA-N 0 0 244.787 3.884 20 0 BHADRN CC(C)CCC[S@@](=O)c1cccc(Cl)c1 ZINC000431197513 387688279 /nfs/dbraw/zinc/68/82/79/387688279.db2.gz KQDIQIWRARUSQP-OAHLLOKOSA-N 0 0 244.787 3.884 20 0 BHADRN Cc1ccc(C[S@](=O)C(C)(C)C(C)C)cc1 ZINC000431199915 387688891 /nfs/dbraw/zinc/68/88/91/387688891.db2.gz VDCWAMIRMXWHAW-INIZCTEOSA-N 0 0 238.396 3.678 20 0 BHADRN Cc1ccc(C[S@@](=O)C(C)(C)C(C)C)cc1 ZINC000431199916 387688962 /nfs/dbraw/zinc/68/89/62/387688962.db2.gz VDCWAMIRMXWHAW-MRXNPFEDSA-N 0 0 238.396 3.678 20 0 BHADRN CC(C)CCC[S@](=O)c1ccc(Cl)cc1 ZINC000431200326 387688330 /nfs/dbraw/zinc/68/83/30/387688330.db2.gz XSRKBNMPRLAMGO-HNNXBMFYSA-N 0 0 244.787 3.884 20 0 BHADRN CC(C)CCC[S@@](=O)c1ccc(Cl)cc1 ZINC000431200327 192909960 /nfs/dbraw/zinc/90/99/60/192909960.db2.gz XSRKBNMPRLAMGO-OAHLLOKOSA-N 0 0 244.787 3.884 20 0 BHADRN CC(C)C(C)(C)[S@@](=O)Cc1cccc(F)c1 ZINC000431201563 387688187 /nfs/dbraw/zinc/68/81/87/387688187.db2.gz DREVPQUPWFNKPG-INIZCTEOSA-N 0 0 242.359 3.509 20 0 BHADRN CC(C)C(C)(C)[S@](=O)Cc1cccc(F)c1 ZINC000431201564 192909724 /nfs/dbraw/zinc/90/97/24/192909724.db2.gz DREVPQUPWFNKPG-MRXNPFEDSA-N 0 0 242.359 3.509 20 0 BHADRN CC(C)C(C)(C)[S@@](=O)Cc1ccccc1F ZINC000431203169 387688679 /nfs/dbraw/zinc/68/86/79/387688679.db2.gz NVFHFSCSBHULDI-INIZCTEOSA-N 0 0 242.359 3.509 20 0 BHADRN CC(C)C(C)(C)[S@](=O)Cc1ccccc1F ZINC000431203170 387689226 /nfs/dbraw/zinc/68/92/26/387689226.db2.gz NVFHFSCSBHULDI-MRXNPFEDSA-N 0 0 242.359 3.509 20 0 BHADRN Cc1ccc([S@@](=O)CCCC(C)C)cc1C ZINC000431203478 387689388 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FWYJGVROHSYWEN-RISCZKNCSA-N 0 0 218.406 3.750 20 0 BHADRN CC[C@H](C)C[S@@](=O)C(CC)(CC)CC ZINC000431204521 387688455 /nfs/dbraw/zinc/68/84/55/387688455.db2.gz FWYJGVROHSYWEN-SMDDNHRTSA-N 0 0 218.406 3.750 20 0 BHADRN CC(C)CCC[S@](=O)C(C)(C)C(C)C ZINC000431204570 387688340 /nfs/dbraw/zinc/68/83/40/387688340.db2.gz UQGNKHCEHNFMEH-AWEZNQCLSA-N 0 0 218.406 3.606 20 0 BHADRN CC(C)CCC[S@@](=O)C(C)(C)C(C)C ZINC000431204571 387688150 /nfs/dbraw/zinc/68/81/50/387688150.db2.gz UQGNKHCEHNFMEH-CQSZACIVSA-N 0 0 218.406 3.606 20 0 BHADRN Cc1cccc([S@@](=O)CCCC(C)C)c1 ZINC000431206220 387688986 /nfs/dbraw/zinc/68/89/86/387688986.db2.gz KKJWWUYGGBUCOS-HNNXBMFYSA-N 0 0 224.369 3.539 20 0 BHADRN Cc1cccc([S@](=O)CCCC(C)C)c1 ZINC000431206221 387688368 /nfs/dbraw/zinc/68/83/68/387688368.db2.gz KKJWWUYGGBUCOS-OAHLLOKOSA-N 0 0 224.369 3.539 20 0 BHADRN CC(C)C(C)(C)[S@](=O)[C@@H](C)c1ccccc1 ZINC000431211321 387691710 /nfs/dbraw/zinc/69/17/10/387691710.db2.gz YHGSWXJUQASVLZ-BLLLJJGKSA-N 0 0 238.396 3.931 20 0 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RLFNWLNKEUDMOA-CHWSQXEVSA-N 0 0 247.382 3.804 20 0 BHADRN CCc1ccccc1C(=O)N[C@@H](C)C[C@H](C)CC ZINC000431496130 387714283 /nfs/dbraw/zinc/71/42/83/387714283.db2.gz RLFNWLNKEUDMOA-OLZOCXBDSA-N 0 0 247.382 3.804 20 0 BHADRN CCc1ccccc1C(=O)N[C@H](C)C[C@@H](C)CC ZINC000431496132 387713629 /nfs/dbraw/zinc/71/36/29/387713629.db2.gz RLFNWLNKEUDMOA-QWHCGFSZSA-N 0 0 247.382 3.804 20 0 BHADRN CCc1ccccc1C(=O)N[C@@H](C)C[C@@H](C)CC ZINC000431496134 192100380 /nfs/dbraw/zinc/10/03/80/192100380.db2.gz RLFNWLNKEUDMOA-STQMWFEESA-N 0 0 247.382 3.804 20 0 BHADRN Cc1nc2[nH]ccc2c(NC(C)(C)C(C)(C)C)n1 ZINC000431496701 387713106 /nfs/dbraw/zinc/71/31/06/387713106.db2.gz SVQTXMLMAMKXHC-UHFFFAOYSA-N 0 0 246.358 3.503 20 0 BHADRN CCc1ccccc1C(=O)N[C@H](C)CCC(C)C ZINC000431497255 387713202 /nfs/dbraw/zinc/71/32/02/387713202.db2.gz QAZJWDSOQQKLQZ-CYBMUJFWSA-N 0 0 247.382 3.804 20 0 BHADRN CCc1ccccc1C(=O)N[C@@H](C)CCC(C)C ZINC000431497256 387712449 /nfs/dbraw/zinc/71/24/49/387712449.db2.gz QAZJWDSOQQKLQZ-ZDUSSCGKSA-N 0 0 247.382 3.804 20 0 BHADRN CC(=O)c1ccc(NCC(C)(C)C(C)(C)C)nc1 ZINC000431498246 387713373 /nfs/dbraw/zinc/71/33/73/387713373.db2.gz YXVKYAPJKSUJAP-UHFFFAOYSA-N 0 0 248.370 3.768 20 0 BHADRN c1ccc([C@H](CNc2ccccn2)C2CC2)cc1 ZINC000431500486 192919139 /nfs/dbraw/zinc/91/91/39/192919139.db2.gz RTMBMSMHTWROSR-HNNXBMFYSA-N 0 0 238.334 3.687 20 0 BHADRN c1ccc([C@@H](CNc2ccccn2)C2CC2)cc1 ZINC000431500487 192102023 /nfs/dbraw/zinc/10/20/23/192102023.db2.gz RTMBMSMHTWROSR-OAHLLOKOSA-N 0 0 238.334 3.687 20 0 BHADRN Clc1ccc(/C=C/COc2ccncc2)cc1 ZINC000431512063 387714542 /nfs/dbraw/zinc/71/45/42/387714542.db2.gz NBHQBITVEWGHKG-OWOJBTEDSA-N 0 0 245.709 3.827 20 0 BHADRN Clc1ccc(/C=C\COc2ccncc2)cc1 ZINC000431512064 387712864 /nfs/dbraw/zinc/71/28/64/387712864.db2.gz NBHQBITVEWGHKG-UPHRSURJSA-N 0 0 245.709 3.827 20 0 BHADRN Clc1ccccc1CCCOc1ccncc1 ZINC000431512715 387714582 /nfs/dbraw/zinc/71/45/82/387714582.db2.gz HLPWUXZWVWSXDY-UHFFFAOYSA-N 0 0 247.725 3.747 20 0 BHADRN CCc1ccccc1C(=O)NCC1(CC)CCC1 ZINC000431514216 387717449 /nfs/dbraw/zinc/71/74/49/387717449.db2.gz XVTCBRZDSRSFGV-UHFFFAOYSA-N 0 0 245.366 3.559 20 0 BHADRN FC(F)c1cccc(COc2ccncc2)c1 ZINC000431514317 387716780 /nfs/dbraw/zinc/71/67/80/387716780.db2.gz PQVBNHUXHYXWHK-UHFFFAOYSA-N 0 0 235.233 3.598 20 0 BHADRN c1ccc2cc(COc3ccncc3)ccc2c1 ZINC000431514400 387716835 /nfs/dbraw/zinc/71/68/35/387716835.db2.gz YXLDVQHXKARHAJ-UHFFFAOYSA-N 0 0 235.286 3.814 20 0 BHADRN CCCC(CCC)S(=O)(=O)CCCC(C)C ZINC000431587711 387718559 /nfs/dbraw/zinc/71/85/59/387718559.db2.gz XNNAFMVXYJIUBA-UHFFFAOYSA-N 0 0 248.432 3.806 20 0 BHADRN CCC(CC)(CC)S(=O)(=O)CCCC(C)C ZINC000431589779 387718550 /nfs/dbraw/zinc/71/85/50/387718550.db2.gz ZVFHFUIHOMHTLA-UHFFFAOYSA-N 0 0 248.432 3.806 20 0 BHADRN CCc1ccccc1C(=O)NCC1CCCCC1 ZINC000431622027 192923279 /nfs/dbraw/zinc/92/32/79/192923279.db2.gz DOPHLCQZYNVEIF-UHFFFAOYSA-N 0 0 245.366 3.559 20 0 BHADRN CCc1ccccc1C(=O)NCCC1CCCC1 ZINC000431627149 192923590 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HGVIEENTAJQXEI-YMAMQOFZSA-N 0 0 249.398 3.509 20 0 BHADRN O=C(NCCCC1CCCCC1)[C@H]1C[C@@H]1C1CC1 ZINC000431699804 387727794 /nfs/dbraw/zinc/72/77/94/387727794.db2.gz SKYAVXPAHGBKFR-CABCVRRESA-N 0 0 249.398 3.509 20 0 BHADRN Cc1ccc(NC(=O)NC(C)(C)C(C)(C)C)cc1 ZINC000431700783 387727893 /nfs/dbraw/zinc/72/78/93/387727893.db2.gz XMNARWNAAILDPO-UHFFFAOYSA-N 0 0 248.370 3.941 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000431712321 387728135 /nfs/dbraw/zinc/72/81/35/387728135.db2.gz OKJAFVVIPFUARC-BZTHDZJNSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000431712322 387726668 /nfs/dbraw/zinc/72/66/68/387726668.db2.gz OKJAFVVIPFUARC-NNZPWHBESA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000431712323 387726997 /nfs/dbraw/zinc/72/69/97/387726997.db2.gz OKJAFVVIPFUARC-RUOPDXTDSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000431712324 387727834 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c1ccc(Oc2ccc(OCC3CC3)cn2)cc1 ZINC000431867328 192929022 /nfs/dbraw/zinc/92/90/22/192929022.db2.gz BJKKRIMLEWNVKW-UHFFFAOYSA-N 0 0 241.290 3.663 20 0 BHADRN CC(=O)Nc1ccc(C)cc1OCCCC(C)C ZINC000431871284 387738532 /nfs/dbraw/zinc/73/85/32/387738532.db2.gz VKCVJGVLECJARV-UHFFFAOYSA-N 0 0 249.354 3.768 20 0 BHADRN COCc1cccc(OCCCC(C)C)c1 ZINC000431875577 192928820 /nfs/dbraw/zinc/92/88/20/192928820.db2.gz NNVYJHQICRNWOA-UHFFFAOYSA-N 0 0 222.328 3.648 20 0 BHADRN Cc1ccc(OCc2ccc(C)c(C)c2)cn1 ZINC000431876587 192928932 /nfs/dbraw/zinc/92/89/32/192928932.db2.gz CKGDBAXPPUWVAZ-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN CCCOc1ccc(Oc2ccccc2)nc1 ZINC000431877116 387738140 /nfs/dbraw/zinc/73/81/40/387738140.db2.gz FOBBLIDKDUFMTQ-UHFFFAOYSA-N 0 0 229.279 3.663 20 0 BHADRN Cc1ccc(NC(=O)C[C@H]2CCC[C@H](C)C2)cn1 ZINC000431878289 387738768 /nfs/dbraw/zinc/73/87/68/387738768.db2.gz AHCHHNFJPYKEBA-AAEUAGOBSA-N 0 0 246.354 3.545 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000431878290 387739102 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FUCMPKBWYIVRGG-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN CCCN(CC(C)C)C(=O)C(C)(C)C(C)(C)C ZINC000431901919 387738224 /nfs/dbraw/zinc/73/82/24/387738224.db2.gz NAIDBHBDEUJBTR-UHFFFAOYSA-N 0 0 241.419 3.953 20 0 BHADRN Cc1ccc(NC(=O)CC2CCC(C)CC2)cn1 ZINC000431902944 387739201 /nfs/dbraw/zinc/73/92/01/387739201.db2.gz NFCVRGUUYWPZNS-UHFFFAOYSA-N 0 0 246.354 3.545 20 0 BHADRN COc1ccccc1OCCCC(C)C ZINC000431903433 387739154 /nfs/dbraw/zinc/73/91/54/387739154.db2.gz UCCWMZWKRGJIHY-UHFFFAOYSA-N 0 0 208.301 3.510 20 0 BHADRN Cc1ccc(NC(=O)C2CCC(C)(C)CC2)cn1 ZINC000431910710 387737387 /nfs/dbraw/zinc/73/73/87/387737387.db2.gz DMYCRWLYWVLGOX-UHFFFAOYSA-N 0 0 246.354 3.545 20 0 BHADRN c1csc(SCCOC2CCCC2)c1 ZINC000431926329 387741318 /nfs/dbraw/zinc/74/13/18/387741318.db2.gz OVFAEKYPGBSCKA-UHFFFAOYSA-N 0 0 228.382 3.799 20 0 BHADRN CCC(CC)SCCOC1CCCC1 ZINC000431928071 387741036 /nfs/dbraw/zinc/74/10/36/387741036.db2.gz SKKPYAUTPWJOKJ-UHFFFAOYSA-N 0 0 216.390 3.867 20 0 BHADRN CC(C)=CCSCCOC1CCCC1 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CC1=C[C@@H](C)CN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC000435269472 201261803 /nfs/dbraw/zinc/26/18/03/201261803.db2.gz RNIGGMUCDWFAJJ-TZMCWYRMSA-N 0 0 249.398 3.627 20 0 BHADRN CC1=C[C@@H](C)CN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000435269726 201260227 /nfs/dbraw/zinc/26/02/27/201260227.db2.gz SBDZHBAKVDHMIN-GFCCVEGCSA-N 0 0 249.398 3.627 20 0 BHADRN CC1=C[C@H](C)CN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000435269728 201260500 /nfs/dbraw/zinc/26/05/00/201260500.db2.gz SBDZHBAKVDHMIN-LBPRGKRZSA-N 0 0 249.398 3.627 20 0 BHADRN CC1=C[C@H](C)CN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000435270222 191300646 /nfs/dbraw/zinc/30/06/46/191300646.db2.gz RPYUYECFXHUBMZ-GXTWGEPZSA-N 0 0 249.398 3.627 20 0 BHADRN CC1=C[C@H](C)CN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000435270223 191300436 /nfs/dbraw/zinc/30/04/36/191300436.db2.gz RPYUYECFXHUBMZ-JSGCOSHPSA-N 0 0 249.398 3.627 20 0 BHADRN CC1=C[C@@H](C)CN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000435270224 191300585 /nfs/dbraw/zinc/30/05/85/191300585.db2.gz RPYUYECFXHUBMZ-OCCSQVGLSA-N 0 0 249.398 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CCCC(CCC)[S@](=O)CCC(F)(F)F ZINC000435418652 201269290 /nfs/dbraw/zinc/26/92/90/201269290.db2.gz QYZBCMUGWULZBI-OAHLLOKOSA-N 0 0 244.322 3.656 20 0 BHADRN CCCCN(C)C(=O)NCC(C)(C)CC(C)C ZINC000435419961 201270668 /nfs/dbraw/zinc/27/06/68/201270668.db2.gz AXWPVTJOJHSJPC-UHFFFAOYSA-N 0 0 242.407 3.500 20 0 BHADRN CCC(CC)(CC)[S@@](=O)CCC(F)(F)F ZINC000435432241 191309423 /nfs/dbraw/zinc/30/94/23/191309423.db2.gz MGKHMLCETUIPRJ-HNNXBMFYSA-N 0 0 244.322 3.656 20 0 BHADRN CCC(CC)(CC)[S@](=O)CCC(F)(F)F ZINC000435432243 191308839 /nfs/dbraw/zinc/30/88/39/191308839.db2.gz MGKHMLCETUIPRJ-OAHLLOKOSA-N 0 0 244.322 3.656 20 0 BHADRN CC[C@@H](Nc1ccnc2nc(C)ccc12)C(C)C ZINC000435492163 201273319 /nfs/dbraw/zinc/27/33/19/201273319.db2.gz DNDUVSCNBWKJQB-CYBMUJFWSA-N 0 0 243.354 3.785 20 0 BHADRN CC[C@H](Nc1ccnc2nc(C)ccc12)C(C)C ZINC000435492164 201273168 /nfs/dbraw/zinc/27/31/68/201273168.db2.gz DNDUVSCNBWKJQB-ZDUSSCGKSA-N 0 0 243.354 3.785 20 0 BHADRN CCC[C@@H]1C[C@H]1Nc1ccnc2nc(C)ccc12 ZINC000435494260 201273557 /nfs/dbraw/zinc/27/35/57/201273557.db2.gz VIXUNXFWUWLFGE-BXUZGUMPSA-N 0 0 241.338 3.539 20 0 BHADRN CCC[C@H]1C[C@@H]1Nc1ccnc2nc(C)ccc12 ZINC000435494261 201273566 /nfs/dbraw/zinc/27/35/66/201273566.db2.gz VIXUNXFWUWLFGE-FZMZJTMJSA-N 0 0 241.338 3.539 20 0 BHADRN CCC[C@@H]1C[C@@H]1Nc1ccnc2nc(C)ccc12 ZINC000435494262 201273331 /nfs/dbraw/zinc/27/33/31/201273331.db2.gz VIXUNXFWUWLFGE-RISCZKNCSA-N 0 0 241.338 3.539 20 0 BHADRN CCC[C@H]1C[C@H]1Nc1ccnc2nc(C)ccc12 ZINC000435494263 201273463 /nfs/dbraw/zinc/27/34/63/201273463.db2.gz VIXUNXFWUWLFGE-SMDDNHRTSA-N 0 0 241.338 3.539 20 0 BHADRN CCCCCNc1ccnc2nc(C)ccc12 ZINC000435494633 201273791 /nfs/dbraw/zinc/27/37/91/201273791.db2.gz AZXLOZUTTJKBKB-UHFFFAOYSA-N 0 0 229.327 3.540 20 0 BHADRN Cc1ccc2c(NCC3CCCC3)ccnc2n1 ZINC000435495583 201274085 /nfs/dbraw/zinc/27/40/85/201274085.db2.gz OAOOADPBFKQUHV-UHFFFAOYSA-N 0 0 241.338 3.540 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccnc2nc(C)ccc12 ZINC000435499728 201273927 /nfs/dbraw/zinc/27/39/27/201273927.db2.gz CFHJXFNNQBGZPT-CMPLNLGQSA-N 0 0 243.354 3.785 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccnc2nc(C)ccc12 ZINC000435499729 201274199 /nfs/dbraw/zinc/27/41/99/201274199.db2.gz CFHJXFNNQBGZPT-JQWIXIFHSA-N 0 0 243.354 3.785 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccnc2nc(C)ccc12 ZINC000435499730 201273591 /nfs/dbraw/zinc/27/35/91/201273591.db2.gz CFHJXFNNQBGZPT-PWSUYJOCSA-N 0 0 243.354 3.785 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccnc2nc(C)ccc12 ZINC000435499731 201273829 /nfs/dbraw/zinc/27/38/29/201273829.db2.gz CFHJXFNNQBGZPT-ZYHUDNBSSA-N 0 0 243.354 3.785 20 0 BHADRN CCC(CC)Nc1ccnc2nc(C)ccc12 ZINC000435500954 201273033 /nfs/dbraw/zinc/27/30/33/201273033.db2.gz JEXZFRLZGQQQTF-UHFFFAOYSA-N 0 0 229.327 3.539 20 0 BHADRN Cc1ccc2c(NCc3ccccc3)ccnc2n1 ZINC000435501271 201274613 /nfs/dbraw/zinc/27/46/13/201274613.db2.gz OVYOJGSRXDXULU-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccc2c(NC3CCCCC3)ccnc2n1 ZINC000435503001 201275139 /nfs/dbraw/zinc/27/51/39/201275139.db2.gz WQVCWJWEHGHQAY-UHFFFAOYSA-N 0 0 241.338 3.683 20 0 BHADRN CCC[C@@H](C)N(C)c1ccnc2nc(C)ccc21 ZINC000435504774 201275921 /nfs/dbraw/zinc/27/59/21/201275921.db2.gz KOKUGFZONONIPH-GFCCVEGCSA-N 0 0 243.354 3.563 20 0 BHADRN CCC[C@H](C)N(C)c1ccnc2nc(C)ccc21 ZINC000435504775 201276188 /nfs/dbraw/zinc/27/61/88/201276188.db2.gz KOKUGFZONONIPH-LBPRGKRZSA-N 0 0 243.354 3.563 20 0 BHADRN CCCCN(CC)c1ccnc2nc(C)ccc12 ZINC000435506802 201275015 /nfs/dbraw/zinc/27/50/15/201275015.db2.gz WTSHEDYZIMZMIC-UHFFFAOYSA-N 0 0 243.354 3.565 20 0 BHADRN CCCN(CC)C(=O)NCC(C)(C)CC(C)C ZINC000435525669 201276035 /nfs/dbraw/zinc/27/60/35/201276035.db2.gz KRRPUCOFFNGEMK-UHFFFAOYSA-N 0 0 242.407 3.500 20 0 BHADRN Cc1ccc2c(N[C@H](C)CC(C)C)ccnc2n1 ZINC000435564514 201277104 /nfs/dbraw/zinc/27/71/04/201277104.db2.gz HRAYSHMHMCQDGF-GFCCVEGCSA-N 0 0 243.354 3.785 20 0 BHADRN Cc1ccc2c(N[C@@H](C)CC(C)C)ccnc2n1 ZINC000435564515 201277189 /nfs/dbraw/zinc/27/71/89/201277189.db2.gz HRAYSHMHMCQDGF-LBPRGKRZSA-N 0 0 243.354 3.785 20 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Cc1ccc2c(NCCC3(C)CC3)ccnc2n1 ZINC000435575542 201276476 /nfs/dbraw/zinc/27/64/76/201276476.db2.gz DGNTXILBYMEZTQ-UHFFFAOYSA-N 0 0 241.338 3.540 20 0 BHADRN CC(C)=CCCNc1ccnc2nc(C)ccc12 ZINC000435578691 201278016 /nfs/dbraw/zinc/27/80/16/201278016.db2.gz MUFXGXXPPPFMIX-UHFFFAOYSA-N 0 0 241.338 3.706 20 0 BHADRN CC1=CCCN(c2nccc3ccc(F)cc32)C1 ZINC000435583045 201276841 /nfs/dbraw/zinc/27/68/41/201276841.db2.gz DHWCHLAKSJSPNM-UHFFFAOYSA-N 0 0 242.297 3.530 20 0 BHADRN Fc1cccc([C@H]2C[C@H](Nc3ccccn3)C2)c1 ZINC000435586005 201278021 /nfs/dbraw/zinc/27/80/21/201278021.db2.gz WBSHESXKCMTABI-MQMHXKEQSA-N 0 0 242.297 3.579 20 0 BHADRN CC1=CCCN(c2ccc3ccc(F)cc3n2)C1 ZINC000435587119 201277708 /nfs/dbraw/zinc/27/77/08/201277708.db2.gz DXDJNAHCKVRXHL-UHFFFAOYSA-N 0 0 242.297 3.530 20 0 BHADRN Cc1ccnc(N[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000435593370 201276814 /nfs/dbraw/zinc/27/68/14/201276814.db2.gz MPIYVOMSHIVQJT-SHTZXODSSA-N 0 0 238.334 3.748 20 0 BHADRN Fc1ccccc1[C@H]1C[C@H](Nc2ccccn2)C1 ZINC000435595203 201277479 /nfs/dbraw/zinc/27/74/79/201277479.db2.gz YXSJMKSCPOQWJT-HAQNSBGRSA-N 0 0 242.297 3.579 20 0 BHADRN Fc1cccnc1N[C@H]1C[C@H](c2ccccc2)C1 ZINC000435598537 201276324 /nfs/dbraw/zinc/27/63/24/201276324.db2.gz PCSVVNRBOOEOIK-JOCQHMNTSA-N 0 0 242.297 3.579 20 0 BHADRN Cc1cccc2nc(N3CCC=C(C)C3)sc21 ZINC000435600142 201278694 /nfs/dbraw/zinc/27/86/94/201278694.db2.gz YQVMEBHAPYZOCR-UHFFFAOYSA-N 0 0 244.363 3.761 20 0 BHADRN Cc1cnc(N[C@H]2C[C@H](c3ccccc3)C2)s1 ZINC000435603346 201278447 /nfs/dbraw/zinc/27/84/47/201278447.db2.gz HSELMZGDUDIECA-JOCQHMNTSA-N 0 0 244.363 3.810 20 0 BHADRN Cc1cccc(N[C@H]2C[C@H](c3ccccc3)C2)n1 ZINC000435603541 201279954 /nfs/dbraw/zinc/27/99/54/201279954.db2.gz JQCLPRLRTZURPO-SHTZXODSSA-N 0 0 238.334 3.748 20 0 BHADRN Cc1cccc(CN(C#N)c2cccc(F)c2)c1 ZINC000435657175 201281309 /nfs/dbraw/zinc/28/13/09/201281309.db2.gz VSMZBBIMKNCFJG-UHFFFAOYSA-N 0 0 240.281 3.622 20 0 BHADRN CC(C)CCCN(C#N)c1cccc(F)c1 ZINC000435662996 201282041 /nfs/dbraw/zinc/28/20/41/201282041.db2.gz GSRDDHMVNRDSID-UHFFFAOYSA-N 0 0 220.291 3.549 20 0 BHADRN Cc1ccc(CN(C#N)c2cccc(F)c2)cc1 ZINC000435670472 201281952 /nfs/dbraw/zinc/28/19/52/201281952.db2.gz FWWWSBHZPQYMBA-UHFFFAOYSA-N 0 0 240.281 3.622 20 0 BHADRN Cc1ccccc1CN(C#N)c1cccc(F)c1 ZINC000435674369 201281157 /nfs/dbraw/zinc/28/11/57/201281157.db2.gz YNCOFKPFAJFKGO-UHFFFAOYSA-N 0 0 240.281 3.622 20 0 BHADRN Cc1nc(C)c(Cc2c(F)cccc2F)s1 ZINC000435680329 201281764 /nfs/dbraw/zinc/28/17/64/201281764.db2.gz CXOAOWONUKEJLL-UHFFFAOYSA-N 0 0 239.290 3.629 20 0 BHADRN CSc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000435681728 201281278 /nfs/dbraw/zinc/28/12/78/201281278.db2.gz JXUAAWGHDYBHOG-UHFFFAOYSA-N 0 0 240.331 3.952 20 0 BHADRN Cc1nc(C)c(Cc2ccc(F)cc2F)s1 ZINC000435682006 201281469 /nfs/dbraw/zinc/28/14/69/201281469.db2.gz KSQVPFCHMHNFOD-UHFFFAOYSA-N 0 0 239.290 3.629 20 0 BHADRN CCc1nc(C)c(Cc2ccccc2F)s1 ZINC000435691371 201282698 /nfs/dbraw/zinc/28/26/98/201282698.db2.gz KUFHDPHPICFIAM-UHFFFAOYSA-N 0 0 235.327 3.744 20 0 BHADRN Cc1csc(Nc2ccc(Cl)cc2F)n1 ZINC000435697165 201284444 /nfs/dbraw/zinc/28/44/44/201284444.db2.gz WYTJJACUTXITKC-UHFFFAOYSA-N 0 0 242.706 3.988 20 0 BHADRN C/C(=C\c1ccc(C)c(Cl)c1)c1cnccn1 ZINC000435737369 201285371 /nfs/dbraw/zinc/28/53/71/201285371.db2.gz HNRXSBPNDXCBIC-YRNVUSSQSA-N 0 0 244.725 3.999 20 0 BHADRN Cc1ccc(/C=C\c2ccncn2)cc1Cl ZINC000435759232 201286145 /nfs/dbraw/zinc/28/61/45/201286145.db2.gz JHKQHODWJMQMLN-PLNGDYQASA-N 0 0 230.698 3.609 20 0 BHADRN CCCc1ccc(OCCC(F)(F)F)cc1 ZINC000435783573 201288341 /nfs/dbraw/zinc/28/83/41/201288341.db2.gz YFYJPHAZOSYMOV-UHFFFAOYSA-N 0 0 232.245 3.970 20 0 BHADRN CCc1ccccc1CCn1ncc(Cl)c1C ZINC000435787077 201287279 /nfs/dbraw/zinc/28/72/79/201287279.db2.gz XUKURRFECZMTLX-UHFFFAOYSA-N 0 0 248.757 3.650 20 0 BHADRN CCc1ccccc1CCn1ccnc1C(C)C ZINC000435787316 201287320 /nfs/dbraw/zinc/28/73/20/201287320.db2.gz ZSDQPYIMPLTNPP-UHFFFAOYSA-N 0 0 242.366 3.812 20 0 BHADRN CCCc1nccn1CCc1ccccc1CC ZINC000435792106 201287774 /nfs/dbraw/zinc/28/77/74/201287774.db2.gz SMWMSVNQJFJJOO-UHFFFAOYSA-N 0 0 242.366 3.641 20 0 BHADRN c1cnn(Cc2ccc(-c3ccsc3)cc2)c1 ZINC000435798305 206065979 /nfs/dbraw/zinc/06/59/79/206065979.db2.gz HUHKNAQBVCEUMT-UHFFFAOYSA-N 0 0 240.331 3.660 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)c1coc(C)c1 ZINC000435878847 201292110 /nfs/dbraw/zinc/29/21/10/201292110.db2.gz GQSXOIVCCRPTSE-GFCCVEGCSA-N 0 0 237.343 3.534 20 0 BHADRN CCCC[C@H](CC)CNC(=O)c1coc(C)c1 ZINC000435878848 201292770 /nfs/dbraw/zinc/29/27/70/201292770.db2.gz GQSXOIVCCRPTSE-LBPRGKRZSA-N 0 0 237.343 3.534 20 0 BHADRN CCc1ccccc1CCSC[C@@H](C)OC ZINC000435879089 201293653 /nfs/dbraw/zinc/29/36/53/201293653.db2.gz APIQBYSIKMRSOP-GFCCVEGCSA-N 0 0 238.396 3.560 20 0 BHADRN CCc1ccccc1CCSC[C@H](C)OC ZINC000435879092 201293801 /nfs/dbraw/zinc/29/38/01/201293801.db2.gz APIQBYSIKMRSOP-LBPRGKRZSA-N 0 0 238.396 3.560 20 0 BHADRN CCOCCCSCCc1ccccc1F ZINC000435880202 201293853 /nfs/dbraw/zinc/29/38/53/201293853.db2.gz HUQQZUWGPOCZNL-UHFFFAOYSA-N 0 0 242.359 3.528 20 0 BHADRN Cc1cc(CSCCC2(O)CC2)c(C)s1 ZINC000435881401 201292946 /nfs/dbraw/zinc/29/29/46/201292946.db2.gz AEIQVOVUUZLPAX-UHFFFAOYSA-N 0 0 242.409 3.513 20 0 BHADRN C/C=C\CSCCc1ccccc1F ZINC000435883341 201295810 /nfs/dbraw/zinc/29/58/10/201295810.db2.gz YRKFVPFFVMKSFN-IHWYPQMZSA-N 0 0 210.317 3.678 20 0 BHADRN C/C=C/CSCCc1ccccc1F ZINC000435883342 201296875 /nfs/dbraw/zinc/29/68/75/201296875.db2.gz YRKFVPFFVMKSFN-NSCUHMNNSA-N 0 0 210.317 3.678 20 0 BHADRN CCc1ccccc1CCS[C@H](C)COC ZINC000435883458 201289875 /nfs/dbraw/zinc/28/98/75/201289875.db2.gz LAVIEZGFUHRXKB-GFCCVEGCSA-N 0 0 238.396 3.560 20 0 BHADRN CCc1ccccc1CCS[C@@H](C)COC ZINC000435883459 201291027 /nfs/dbraw/zinc/29/10/27/201291027.db2.gz LAVIEZGFUHRXKB-LBPRGKRZSA-N 0 0 238.396 3.560 20 0 BHADRN CCc1ccccc1CCSCCCOC ZINC000435883464 201295852 /nfs/dbraw/zinc/29/58/52/201295852.db2.gz YZESEYXMDWMPMV-UHFFFAOYSA-N 0 0 238.396 3.561 20 0 BHADRN CCc1ccccc1CCSCCCF ZINC000435883590 201295535 /nfs/dbraw/zinc/29/55/35/201295535.db2.gz ZYSWCFWAXXRJRO-UHFFFAOYSA-N 0 0 226.360 3.884 20 0 BHADRN Cn1ccc2ccc(NCCC(F)(F)F)cc21 ZINC000435888664 201296360 /nfs/dbraw/zinc/29/63/60/201296360.db2.gz OMOJQJJSXHCUHQ-UHFFFAOYSA-N 0 0 242.244 3.543 20 0 BHADRN CC(C)OCCSCCc1ccccc1F ZINC000435891011 201289415 /nfs/dbraw/zinc/28/94/15/201289415.db2.gz BMRMCIDRPGKPIJ-UHFFFAOYSA-N 0 0 242.359 3.526 20 0 BHADRN COCC[C@@H](C)SCCc1ccccc1F ZINC000435891048 201296001 /nfs/dbraw/zinc/29/60/01/201296001.db2.gz BSPJENVZDQCDGX-LLVKDONJSA-N 0 0 242.359 3.526 20 0 BHADRN COCC[C@H](C)SCCc1ccccc1F ZINC000435891050 201295550 /nfs/dbraw/zinc/29/55/50/201295550.db2.gz BSPJENVZDQCDGX-NSHDSACASA-N 0 0 242.359 3.526 20 0 BHADRN Cc1cccc2nc(-c3ccc[nH]3)cc(C)c12 ZINC000435919910 201298618 /nfs/dbraw/zinc/29/86/18/201298618.db2.gz CXUZVYGPRAJDJE-UHFFFAOYSA-N 0 0 222.291 3.847 20 0 BHADRN Cc1cccc2nc(C3(C)CC3)cc(C)c12 ZINC000435932634 201301664 /nfs/dbraw/zinc/30/16/64/201301664.db2.gz CPAREJAPFMTJOL-UHFFFAOYSA-N 0 0 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CC1=C(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)CCC1 ZINC000437268440 201349844 /nfs/dbraw/zinc/34/98/44/201349844.db2.gz OZDGFLJAJPKDLZ-GXTWGEPZSA-N 0 0 235.371 3.524 20 0 BHADRN CC1=C(C(=O)N(C)[C@H]2CCCC[C@@H]2C)CCC1 ZINC000437268442 201349190 /nfs/dbraw/zinc/34/91/90/201349190.db2.gz OZDGFLJAJPKDLZ-JSGCOSHPSA-N 0 0 235.371 3.524 20 0 BHADRN CC1=C(C(=O)N(C)[C@H]2CCCC[C@H]2C)CCC1 ZINC000437268445 201348704 /nfs/dbraw/zinc/34/87/04/201348704.db2.gz OZDGFLJAJPKDLZ-OCCSQVGLSA-N 0 0 235.371 3.524 20 0 BHADRN CC1=C(C(=O)N(C)[C@@H]2CCCC[C@H]2C)CCC1 ZINC000437268446 201349155 /nfs/dbraw/zinc/34/91/55/201349155.db2.gz OZDGFLJAJPKDLZ-TZMCWYRMSA-N 0 0 235.371 3.524 20 0 BHADRN Cc1ccc(CSCCOCC2CC2)cc1 ZINC000437268997 201350081 /nfs/dbraw/zinc/35/00/81/201350081.db2.gz QINQKQRBVCXDDP-UHFFFAOYSA-N 0 0 236.380 3.655 20 0 BHADRN CCOCCCS[C@H](C)c1ccccc1 ZINC000437269096 201350277 /nfs/dbraw/zinc/35/02/77/201350277.db2.gz PBKFZIJWOLLNQY-GFCCVEGCSA-N 0 0 224.369 3.907 20 0 BHADRN CCOCCCS[C@@H](C)c1ccccc1 ZINC000437269097 201348994 /nfs/dbraw/zinc/34/89/94/201348994.db2.gz PBKFZIJWOLLNQY-LBPRGKRZSA-N 0 0 224.369 3.907 20 0 BHADRN Fc1cccc(CSCC2CCC2)c1 ZINC000437269375 201350249 /nfs/dbraw/zinc/35/02/49/201350249.db2.gz BIRVDRKZAGOGGK-UHFFFAOYSA-N 0 0 210.317 3.859 20 0 BHADRN CC1=C(C(=O)N2CCC[C@H](C(C)C)CC2)CCC1 ZINC000437270274 201349083 /nfs/dbraw/zinc/34/90/83/201349083.db2.gz REHJYAPOXBSNJA-AWEZNQCLSA-N 0 0 249.398 3.772 20 0 BHADRN CC1=C(C(=O)N2CCC[C@@H](C(C)C)CC2)CCC1 ZINC000437270276 201348735 /nfs/dbraw/zinc/34/87/35/201348735.db2.gz REHJYAPOXBSNJA-CQSZACIVSA-N 0 0 249.398 3.772 20 0 BHADRN CCOC(=O)CCCCCSCC1CCC1 ZINC000437270427 201349037 /nfs/dbraw/zinc/34/90/37/201349037.db2.gz UBGBFICFJLDPPF-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CCc1nc(CSCC2CCC2)cs1 ZINC000437270647 201349666 /nfs/dbraw/zinc/34/96/66/201349666.db2.gz UFHDSDPXGLYWST-UHFFFAOYSA-N 0 0 227.398 3.739 20 0 BHADRN CCCCN(C(=O)C1=C(C)CCC1)[C@H](C)CC ZINC000437271099 201349881 /nfs/dbraw/zinc/34/98/81/201349881.db2.gz VURCUTKEPUTPBC-CYBMUJFWSA-N 0 0 237.387 3.914 20 0 BHADRN CCCCN(C(=O)C1=C(C)CCC1)[C@@H](C)CC ZINC000437271102 201349759 /nfs/dbraw/zinc/34/97/59/201349759.db2.gz VURCUTKEPUTPBC-ZDUSSCGKSA-N 0 0 237.387 3.914 20 0 BHADRN CCCCCN(C(=O)C1=C(C)CCC1)C(C)C ZINC000437271275 201350246 /nfs/dbraw/zinc/35/02/46/201350246.db2.gz GPZAAOTYFHCADQ-UHFFFAOYSA-N 0 0 237.387 3.914 20 0 BHADRN CC1=C(C(=O)N(CC(C)C)C2CCCC2)CCC1 ZINC000437271498 201349892 /nfs/dbraw/zinc/34/98/92/201349892.db2.gz WGETXAUGRJUMNX-UHFFFAOYSA-N 0 0 249.398 3.914 20 0 BHADRN CCc1ccc(CCSC(C)C)cc1 ZINC000437271596 201348941 /nfs/dbraw/zinc/34/89/41/201348941.db2.gz ZYEYJDSTWGWNQC-UHFFFAOYSA-N 0 0 208.370 3.933 20 0 BHADRN CC1=C(C(=O)N(C)[C@H]2CCC[C@H](C)C2)CCC1 ZINC000437271662 201349971 /nfs/dbraw/zinc/34/99/71/201349971.db2.gz WEQYGXZVTPLWRC-AAEUAGOBSA-N 0 0 235.371 3.524 20 0 BHADRN CC1=C(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)CCC1 ZINC000437271664 201349911 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/nfs/dbraw/zinc/35/01/71/201350171.db2.gz FXDJOPHTWKGCDQ-OCCSQVGLSA-N 0 0 235.371 3.572 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)C1=C(C)CCC1 ZINC000437274300 201348685 /nfs/dbraw/zinc/34/86/85/201348685.db2.gz FXDJOPHTWKGCDQ-TZMCWYRMSA-N 0 0 235.371 3.572 20 0 BHADRN Fc1ccccc1CSCC1CCC1 ZINC000437276052 201350104 /nfs/dbraw/zinc/35/01/04/201350104.db2.gz LRLBPMGFZHJDAN-UHFFFAOYSA-N 0 0 210.317 3.859 20 0 BHADRN CC1=C(C(=O)N(CC(C)C)CC(C)C)CCC1 ZINC000437276328 201349960 /nfs/dbraw/zinc/34/99/60/201349960.db2.gz NCSHOOVPIYTWBP-UHFFFAOYSA-N 0 0 237.387 3.627 20 0 BHADRN CCc1nc(CSCCC(C)(C)CC)no1 ZINC000437279727 201348729 /nfs/dbraw/zinc/34/87/29/201348729.db2.gz DYHBNRFCGOOMDY-UHFFFAOYSA-N 0 0 242.388 3.692 20 0 BHADRN Fc1ccc(CSCC2CCC2)cc1 ZINC000437279846 201349540 /nfs/dbraw/zinc/34/95/40/201349540.db2.gz YHWDQEUEGKQOFN-UHFFFAOYSA-N 0 0 210.317 3.859 20 0 BHADRN Fc1ccccc1OCCSCC1CCC1 ZINC000437279858 201349384 /nfs/dbraw/zinc/34/93/84/201349384.db2.gz YLFREQKGCQHIMR-UHFFFAOYSA-N 0 0 240.343 3.738 20 0 BHADRN CC[C@@H](NC(=O)C1=C(C)CCC1)c1cccs1 ZINC000437280276 201350137 /nfs/dbraw/zinc/35/01/37/201350137.db2.gz GZNUBDFFHBQRCL-GFCCVEGCSA-N 0 0 249.379 3.816 20 0 BHADRN CC[C@H](NC(=O)C1=C(C)CCC1)c1cccs1 ZINC000437280277 201349234 /nfs/dbraw/zinc/34/92/34/201349234.db2.gz GZNUBDFFHBQRCL-LBPRGKRZSA-N 0 0 249.379 3.816 20 0 BHADRN CC1=C(C(=O)N([C@H](C)C(C)C)C2CC2)CCC1 ZINC000437280909 201349137 /nfs/dbraw/zinc/34/91/37/201349137.db2.gz NUWCTIKCKQQXJJ-GFCCVEGCSA-N 0 0 235.371 3.522 20 0 BHADRN CC1=C(C(=O)N([C@@H](C)C(C)C)C2CC2)CCC1 ZINC000437280910 201348922 /nfs/dbraw/zinc/34/89/22/201348922.db2.gz NUWCTIKCKQQXJJ-LBPRGKRZSA-N 0 0 235.371 3.522 20 0 BHADRN CCCC[C@H](CC)CS[C@H](C)COC ZINC000437281809 201350254 /nfs/dbraw/zinc/35/02/54/201350254.db2.gz YOYMVBGCCHWTKE-NEPJUHHUSA-N 0 0 218.406 3.971 20 0 BHADRN CCCC[C@@H](CC)CS[C@@H](C)COC ZINC000437281810 201349442 /nfs/dbraw/zinc/34/94/42/201349442.db2.gz YOYMVBGCCHWTKE-NWDGAFQWSA-N 0 0 218.406 3.971 20 0 BHADRN CCCC[C@H](CC)CS[C@@H](C)COC ZINC000437281811 201350280 /nfs/dbraw/zinc/35/02/80/201350280.db2.gz YOYMVBGCCHWTKE-RYUDHWBXSA-N 0 0 218.406 3.971 20 0 BHADRN CCCC[C@@H](CC)CS[C@H](C)COC ZINC000437281812 201349808 /nfs/dbraw/zinc/34/98/08/201349808.db2.gz YOYMVBGCCHWTKE-VXGBXAGGSA-N 0 0 218.406 3.971 20 0 BHADRN Cc1cccc(OCCSCC2CCC2)c1 ZINC000437283479 201349503 /nfs/dbraw/zinc/34/95/03/201349503.db2.gz AGUCXNKEROSBOI-UHFFFAOYSA-N 0 0 236.380 3.907 20 0 BHADRN CCOCCCSCc1c(C)cccc1C ZINC000437283885 201349671 /nfs/dbraw/zinc/34/96/71/201349671.db2.gz BXOIABSAWKBDIZ-UHFFFAOYSA-N 0 0 238.396 3.963 20 0 BHADRN COC[C@@H](C)SCc1c(C)cccc1C ZINC000437284292 201349076 /nfs/dbraw/zinc/34/90/76/201349076.db2.gz DCQZGMVFUOHLAF-GFCCVEGCSA-N 0 0 224.369 3.572 20 0 BHADRN COC[C@H](C)SCc1c(C)cccc1C ZINC000437284293 201349026 /nfs/dbraw/zinc/34/90/26/201349026.db2.gz DCQZGMVFUOHLAF-LBPRGKRZSA-N 0 0 224.369 3.572 20 0 BHADRN CCCSCCCc1cccc(OC)c1 ZINC000437284849 201349359 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201385659 /nfs/dbraw/zinc/38/56/59/201385659.db2.gz WPGOHJOCWHBZBI-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@@H]1C[C@H]1CC ZINC000438083837 201385132 /nfs/dbraw/zinc/38/51/32/201385132.db2.gz WPGOHJOCWHBZBI-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000438084286 201386367 /nfs/dbraw/zinc/38/63/67/201386367.db2.gz YLYATVHKZKERQP-GZBLMMOJSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000438084370 201385317 /nfs/dbraw/zinc/38/53/17/201385317.db2.gz YLYATVHKZKERQP-KJWHEZOQSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000438084371 201386001 /nfs/dbraw/zinc/38/60/01/201386001.db2.gz YLYATVHKZKERQP-UXXRCYHCSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000438084372 201385476 /nfs/dbraw/zinc/38/54/76/201385476.db2.gz YLYATVHKZKERQP-XLWJZTARSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)CCNc1cccc(OCCF)c1 ZINC000438085101 201383749 /nfs/dbraw/zinc/38/37/49/201383749.db2.gz MIHXXATZHAFOBX-UHFFFAOYSA-N 0 0 239.334 3.883 20 0 BHADRN CC(C)[C@H]1CCN1Cc1ccc(Cl)cc1F ZINC000438087295 201388696 /nfs/dbraw/zinc/38/86/96/201388696.db2.gz FHDQQMPAHAGHIK-CYBMUJFWSA-N 0 0 241.737 3.709 20 0 BHADRN CC(C)[C@@H]1CCN1Cc1ccc(Cl)cc1F ZINC000438087296 201386929 /nfs/dbraw/zinc/38/69/29/201386929.db2.gz FHDQQMPAHAGHIK-ZDUSSCGKSA-N 0 0 241.737 3.709 20 0 BHADRN Cc1cccnc1NC[C@@H](C)c1ccc(F)cc1 ZINC000438087660 201388419 /nfs/dbraw/zinc/38/84/19/201388419.db2.gz GNNGJWRSMOJBAR-GFCCVEGCSA-N 0 0 244.313 3.745 20 0 BHADRN Cc1cccnc1NC[C@H](C)c1ccc(F)cc1 ZINC000438087662 201388380 /nfs/dbraw/zinc/38/83/80/201388380.db2.gz GNNGJWRSMOJBAR-LBPRGKRZSA-N 0 0 244.313 3.745 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)c1ccccc1C(C)(C)C ZINC000438092982 201388538 /nfs/dbraw/zinc/38/85/38/201388538.db2.gz HQCQSUQQYIBKCY-BXUZGUMPSA-N 0 0 245.366 3.512 20 0 BHADRN Fc1cc(Cl)ccc1CN1CCC12CCC2 ZINC000438096175 201387376 /nfs/dbraw/zinc/38/73/76/201387376.db2.gz JKUPKASWSPETPQ-UHFFFAOYSA-N 0 0 239.721 3.608 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)CCCC1CCCCC1 ZINC000438100724 201389551 /nfs/dbraw/zinc/38/95/51/201389551.db2.gz DEKNNHVDWUMIOP-ZIAGYGMSSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1C[C@H]1CC ZINC000438101239 201390779 /nfs/dbraw/zinc/39/07/79/201390779.db2.gz AHENCFSGDSBFMP-HZSPNIEDSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N[C@@H]1C[C@H]1CC ZINC000438101241 201391316 /nfs/dbraw/zinc/39/13/16/201391316.db2.gz AHENCFSGDSBFMP-MGPQQGTHSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000438102449 201391041 /nfs/dbraw/zinc/39/10/41/201391041.db2.gz FDRXFGXUVJOQGG-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000438102452 201390441 /nfs/dbraw/zinc/39/04/41/201390441.db2.gz FDRXFGXUVJOQGG-YNEHKIRRSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)C[C@@H]1CCCCC1(C)C 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ZINC000438131449 201395436 /nfs/dbraw/zinc/39/54/36/201395436.db2.gz XQZVUHANMMIJPW-UHFFFAOYSA-N 0 0 239.721 3.631 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)C1=CCCCC1 ZINC000438136683 201393966 /nfs/dbraw/zinc/39/39/66/201393966.db2.gz OHEJHDWSBFNSOW-AWEZNQCLSA-N 0 0 249.398 3.914 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)C1=CCCCC1 ZINC000438136684 201394262 /nfs/dbraw/zinc/39/42/62/201394262.db2.gz OHEJHDWSBFNSOW-CQSZACIVSA-N 0 0 249.398 3.914 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)Nc2ccc(C)nc2)CC1 ZINC000438154936 201394568 /nfs/dbraw/zinc/39/45/68/201394568.db2.gz DYDYHVLRDQAINN-JOCQHMNTSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@@H](C)CC(C)C)CC1 ZINC000438166023 201397184 /nfs/dbraw/zinc/39/71/84/201397184.db2.gz KPVLSORFYUJUOM-IHRRRGAJSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@H](C)CC(C)C)CC1 ZINC000438166024 201396618 /nfs/dbraw/zinc/39/66/18/201396618.db2.gz KPVLSORFYUJUOM-MGPQQGTHSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)NCCC2=CCCC2)CC1 ZINC000438167690 201396529 /nfs/dbraw/zinc/39/65/29/201396529.db2.gz PPUTUWTVZUGYAI-CTYIDZIISA-N 0 0 249.398 3.819 20 0 BHADRN Cc1nc2ccc(NCCC(C)(C)C)cc2o1 ZINC000438179508 201396574 /nfs/dbraw/zinc/39/65/74/201396574.db2.gz OKGDWIIYIDNHLW-UHFFFAOYSA-N 0 0 232.327 3.984 20 0 BHADRN CCCC[C@H](NC(=O)C1=C(C)CCC1)C1CCC1 ZINC000438181678 201396019 /nfs/dbraw/zinc/39/60/19/201396019.db2.gz GGCJBXNBYWOCRS-HNNXBMFYSA-N 0 0 249.398 3.962 20 0 BHADRN CCCC[C@@H](NC(=O)C1=C(C)CCC1)C1CCC1 ZINC000438181680 201396980 /nfs/dbraw/zinc/39/69/80/201396980.db2.gz GGCJBXNBYWOCRS-OAHLLOKOSA-N 0 0 249.398 3.962 20 0 BHADRN CCC[C@H](C)[C@H]1CCCN1C(=O)C1=C(C)CCC1 ZINC000438198488 201398618 /nfs/dbraw/zinc/39/86/18/201398618.db2.gz JSUIVCGIIZQKOR-DZGCQCFKSA-N 0 0 249.398 3.914 20 0 BHADRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)C1=C(C)CCC1 ZINC000438198491 201398754 /nfs/dbraw/zinc/39/87/54/201398754.db2.gz JSUIVCGIIZQKOR-HIFRSBDPSA-N 0 0 249.398 3.914 20 0 BHADRN CCC[C@@H](C)[C@H]1CCCN1C(=O)C1=C(C)CCC1 ZINC000438198494 201397860 /nfs/dbraw/zinc/39/78/60/201397860.db2.gz JSUIVCGIIZQKOR-UKRRQHHQSA-N 0 0 249.398 3.914 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1C(=O)C1=C(C)CCC1 ZINC000438198496 201397873 /nfs/dbraw/zinc/39/78/73/201397873.db2.gz JSUIVCGIIZQKOR-ZFWWWQNUSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@@H](c1noc(/C=C\c2ccc[nH]2)n1)C(C)(C)C ZINC000438224021 201397831 /nfs/dbraw/zinc/39/78/31/201397831.db2.gz IUYUYAQSCBTBPN-DMEOUFDRSA-N 0 0 245.326 3.718 20 0 BHADRN C[C@H](c1noc(/C=C\c2ccc[nH]2)n1)C(C)(C)C ZINC000438224022 201398633 /nfs/dbraw/zinc/39/86/33/201398633.db2.gz IUYUYAQSCBTBPN-GQYWMQPJSA-N 0 0 245.326 3.718 20 0 BHADRN C[C@@H](c1noc(/C=C/c2ccc[nH]2)n1)C(C)(C)C ZINC000438224023 201397725 /nfs/dbraw/zinc/39/77/25/201397725.db2.gz IUYUYAQSCBTBPN-JARNTUPDSA-N 0 0 245.326 3.718 20 0 BHADRN C[C@H](c1noc(/C=C/c2ccc[nH]2)n1)C(C)(C)C ZINC000438224024 201398236 /nfs/dbraw/zinc/39/82/36/201398236.db2.gz IUYUYAQSCBTBPN-QROSGCPLSA-N 0 0 245.326 3.718 20 0 BHADRN C(=C\c1nc(C2CCCCC2)no1)\c1ccc[nH]1 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BHADRN CC(C)Oc1cc(F)ccc1NCCC1CC1 ZINC000438319244 537940059 /nfs/dbraw/zinc/94/00/59/537940059.db2.gz VZDDJORUQIRAML-UHFFFAOYSA-N 0 0 237.318 3.825 20 0 BHADRN CCc1ccccc1COc1cccc(C)n1 ZINC000438319418 387922159 /nfs/dbraw/zinc/92/21/59/387922159.db2.gz OALQFNPZMSZBTR-UHFFFAOYSA-N 0 0 227.307 3.531 20 0 BHADRN c1ccc(N2CCCCC2)c(NCCC2CC2)c1 ZINC000438320440 537939259 /nfs/dbraw/zinc/93/92/59/537939259.db2.gz QRVVXZUQNKHGGZ-UHFFFAOYSA-N 0 0 244.382 3.889 20 0 BHADRN CCc1ccccc1CS[C@H](C)CCOC ZINC000438321611 387922666 /nfs/dbraw/zinc/92/26/66/387922666.db2.gz SVUCAVWOLZIZNV-GFCCVEGCSA-N 0 0 238.396 3.907 20 0 BHADRN CCc1ccccc1CS[C@@H](C)CCOC ZINC000438321612 201404730 /nfs/dbraw/zinc/40/47/30/201404730.db2.gz SVUCAVWOLZIZNV-LBPRGKRZSA-N 0 0 238.396 3.907 20 0 BHADRN COc1ccc(OC(C)C)c(NCCC2CC2)c1 ZINC000438324020 537938861 /nfs/dbraw/zinc/93/88/61/537938861.db2.gz QHWWHDDIORGUOH-UHFFFAOYSA-N 0 0 249.354 3.694 20 0 BHADRN Cc1cccc(OC(F)F)c1NCCC1CC1 ZINC000438324226 537939993 /nfs/dbraw/zinc/93/99/93/537939993.db2.gz RLTQEVKZALUQRV-UHFFFAOYSA-N 0 0 241.281 3.808 20 0 BHADRN c1csc(-c2ccccc2OCCC2CC2)n1 ZINC000438325420 537939428 /nfs/dbraw/zinc/93/94/28/537939428.db2.gz GXLSXYCAIYVFAF-UHFFFAOYSA-N 0 0 245.347 3.989 20 0 BHADRN Cc1ccc2c(cccc2OCCC2CC2)n1 ZINC000438328621 537939629 /nfs/dbraw/zinc/93/96/29/537939629.db2.gz NNBHLMZLRCDFHG-UHFFFAOYSA-N 0 0 227.307 3.722 20 0 BHADRN CCC(CC)CC(=O)NCC(C)(C)C(C)C ZINC000438380401 387932139 /nfs/dbraw/zinc/93/21/39/387932139.db2.gz QXJUGULYERUEOJ-UHFFFAOYSA-N 0 0 227.392 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@H]1CCC[C@H]1C ZINC000438380953 387931563 /nfs/dbraw/zinc/93/15/63/387931563.db2.gz SOKNXABHHDBNKD-CHWSQXEVSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@@H]1CCC[C@H]1C ZINC000438380955 387930943 /nfs/dbraw/zinc/93/09/43/387930943.db2.gz SOKNXABHHDBNKD-OLZOCXBDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@H]1CCC[C@@H]1C ZINC000438380957 387930265 /nfs/dbraw/zinc/93/02/65/387930265.db2.gz SOKNXABHHDBNKD-QWHCGFSZSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@@H]1CCC[C@@H]1C ZINC000438380959 387931941 /nfs/dbraw/zinc/93/19/41/387931941.db2.gz SOKNXABHHDBNKD-STQMWFEESA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@H](C)c1ccccc1 ZINC000438381042 201409193 /nfs/dbraw/zinc/40/91/93/201409193.db2.gz SZMWTGGROYULQX-CYBMUJFWSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@@H](C)c1ccccc1 ZINC000438381044 387930315 /nfs/dbraw/zinc/93/03/15/387930315.db2.gz SZMWTGGROYULQX-ZDUSSCGKSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)C(C)(C)CNC(=O)CC1CCCCC1 ZINC000438381264 387931858 /nfs/dbraw/zinc/93/18/58/387931858.db2.gz AKMWMJHBOPHLRM-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)C(C)(C)CNC(=O)CC1=CCCCC1 ZINC000438382841 387931748 /nfs/dbraw/zinc/93/17/48/387931748.db2.gz PSNJGZMBBZTPHZ-UHFFFAOYSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@H]1CCCC1(C)C ZINC000438383057 387932947 /nfs/dbraw/zinc/93/29/47/387932947.db2.gz YGAUPGOBKIIQRH-GFCCVEGCSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@@H]1CCCC1(C)C ZINC000438383058 201409609 /nfs/dbraw/zinc/40/96/09/201409609.db2.gz YGAUPGOBKIIQRH-LBPRGKRZSA-N 0 0 239.403 3.611 20 0 BHADRN CCC1(C(=O)NCC(C)(C)C(C)C)CCCC1 ZINC000438384008 387932843 /nfs/dbraw/zinc/93/28/43/387932843.db2.gz GGNHPPDRDMVYSY-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CC(C)(C)C(=O)NCC(C)(C)C(C)C ZINC000438386959 397922296 /nfs/dbraw/zinc/92/22/96/397922296.db2.gz TXDMWWTVSZVMBU-UHFFFAOYSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000438388091 387933620 /nfs/dbraw/zinc/93/36/20/387933620.db2.gz OWQQFSXFRAEANQ-GFCCVEGCSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000438388094 201408978 /nfs/dbraw/zinc/40/89/78/201408978.db2.gz OWQQFSXFRAEANQ-LBPRGKRZSA-N 0 0 239.403 3.611 20 0 BHADRN Cc1ccc(C(=O)NCC(C)(C)C(C)C)c(C)c1 ZINC000438390390 387933573 /nfs/dbraw/zinc/93/35/73/387933573.db2.gz DBDFUDNYHDQUOT-UHFFFAOYSA-N 0 0 247.382 3.715 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@H](C)CC(C)(C)C ZINC000438392009 387933336 /nfs/dbraw/zinc/93/33/36/387933336.db2.gz GUSLLMGHLOSEHK-GFCCVEGCSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@@H](C)CC(C)(C)C ZINC000438392010 387932813 /nfs/dbraw/zinc/93/28/13/387932813.db2.gz GUSLLMGHLOSEHK-LBPRGKRZSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)C(C)(C)CNC(=O)CCC(C)(C)C ZINC000438392604 387933638 /nfs/dbraw/zinc/93/36/38/387933638.db2.gz HPQSMULLLALGJR-UHFFFAOYSA-N 0 0 227.392 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@@H](C)C(C)(C)C ZINC000438394314 387932758 /nfs/dbraw/zinc/93/27/58/387932758.db2.gz PXYKJFDYUFXNPH-GFCCVEGCSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@H](C)C(C)(C)C ZINC000438394317 387932746 /nfs/dbraw/zinc/93/27/46/387932746.db2.gz PXYKJFDYUFXNPH-LBPRGKRZSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)C(C)(C)CNC(=O)CCC1CCCC1 ZINC000438394724 387933701 /nfs/dbraw/zinc/93/37/01/387933701.db2.gz IAPAXMOERAAPIE-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@@H]1C=CCCC1 ZINC000438395824 387933179 /nfs/dbraw/zinc/93/31/79/387933179.db2.gz KEZDSLRAYPWDDL-CYBMUJFWSA-N 0 0 237.387 3.531 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@H]1C=CCCC1 ZINC000438395826 387933750 /nfs/dbraw/zinc/93/37/50/387933750.db2.gz KEZDSLRAYPWDDL-ZDUSSCGKSA-N 0 0 237.387 3.531 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C1CCCCCC1 ZINC000438397018 201408308 /nfs/dbraw/zinc/40/83/08/201408308.db2.gz HVDDJKPLGJYQDM-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CCC[C@@H](C)CC(=O)NCC(C)(C)C(C)C ZINC000438398245 387933672 /nfs/dbraw/zinc/93/36/72/387933672.db2.gz QBICMYGZSFWRLW-GFCCVEGCSA-N 0 0 227.392 3.611 20 0 BHADRN CCC[C@H](C)CC(=O)NCC(C)(C)C(C)C ZINC000438398246 387933589 /nfs/dbraw/zinc/93/35/89/387933589.db2.gz QBICMYGZSFWRLW-LBPRGKRZSA-N 0 0 227.392 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000438404744 387933731 /nfs/dbraw/zinc/93/37/31/387933731.db2.gz UPDGKQUORWEBAY-CHWSQXEVSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000438404745 387933165 /nfs/dbraw/zinc/93/31/65/387933165.db2.gz UPDGKQUORWEBAY-OLZOCXBDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000438404747 397922830 /nfs/dbraw/zinc/92/28/30/397922830.db2.gz UPDGKQUORWEBAY-QWHCGFSZSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)C[C@H]1CC[C@H](C)C1 ZINC000438404749 387933462 /nfs/dbraw/zinc/93/34/62/387933462.db2.gz UPDGKQUORWEBAY-STQMWFEESA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000438408472 201408283 /nfs/dbraw/zinc/40/82/83/201408283.db2.gz DGUBBJQISYPZSC-CHWSQXEVSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000438408473 201408605 /nfs/dbraw/zinc/40/86/05/201408605.db2.gz DGUBBJQISYPZSC-OLZOCXBDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000438408474 387933568 /nfs/dbraw/zinc/93/35/68/387933568.db2.gz DGUBBJQISYPZSC-QWHCGFSZSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000438408475 201409209 /nfs/dbraw/zinc/40/92/09/201409209.db2.gz DGUBBJQISYPZSC-STQMWFEESA-N 0 0 239.403 3.611 20 0 BHADRN Cc1cccc(C(=O)NCC(C)(C)C(C)C)c1C ZINC000438416578 387934969 /nfs/dbraw/zinc/93/49/69/387934969.db2.gz FLNNSOQLRWMXKJ-UHFFFAOYSA-N 0 0 247.382 3.715 20 0 BHADRN C[C@H](CC(=O)N(C)[C@@H](C)C1(C)CC1)C(C)(C)C ZINC000438417511 201408254 /nfs/dbraw/zinc/40/82/54/201408254.db2.gz HLSNQMQTTOEESH-NEPJUHHUSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](N(C)C(=O)C[C@H](C)C(C)(C)C)C1(C)CC1 ZINC000438417514 387934961 /nfs/dbraw/zinc/93/49/61/387934961.db2.gz HLSNQMQTTOEESH-NWDGAFQWSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CC(=O)N(C)[C@@H](C)C1(C)CC1)C(C)(C)C ZINC000438417517 387935658 /nfs/dbraw/zinc/93/56/58/387935658.db2.gz HLSNQMQTTOEESH-RYUDHWBXSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CC(=O)N(C)[C@H](C)C1(C)CC1)C(C)(C)C ZINC000438417518 387935059 /nfs/dbraw/zinc/93/50/59/387935059.db2.gz HLSNQMQTTOEESH-VXGBXAGGSA-N 0 0 239.403 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/nfs/dbraw/zinc/98/33/20/387983320.db2.gz UMAPHAIKUBTEJX-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CCc1cccc(NC(=O)C(C)(C)C(C)C)c1 ZINC000439215368 387983251 /nfs/dbraw/zinc/98/32/51/387983251.db2.gz VEEOIKRRDAQBHU-UHFFFAOYSA-N 0 0 233.355 3.870 20 0 BHADRN CC(C)C(C)(C)C(=O)N1CCCc2ccccc21 ZINC000439216712 387983743 /nfs/dbraw/zinc/98/37/43/387983743.db2.gz PFFPLUIWEXIERG-UHFFFAOYSA-N 0 0 245.366 3.648 20 0 BHADRN Cc1ccc(NC(=O)C(C)(C)C(C)C)c(F)c1 ZINC000439217340 201438158 /nfs/dbraw/zinc/43/81/58/201438158.db2.gz RJTJJGCIRZUZTB-UHFFFAOYSA-N 0 0 237.318 3.755 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC000439218655 201439494 /nfs/dbraw/zinc/43/94/94/201439494.db2.gz WJKDPVYOUKDGIK-GFCCVEGCSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)C(C)(C)C(C)C ZINC000439218656 201439530 /nfs/dbraw/zinc/43/95/30/201439530.db2.gz WJKDPVYOUKDGIK-LBPRGKRZSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)C(C)(C)C(=O)Nc1cccc(Cl)c1 ZINC000439218718 201439549 /nfs/dbraw/zinc/43/95/49/201439549.db2.gz VZJXBGFHQKORLN-UHFFFAOYSA-N 0 0 239.746 3.961 20 0 BHADRN Cc1cc(F)ccc1NC(=O)C(C)(C)C(C)C ZINC000439219671 387984887 /nfs/dbraw/zinc/98/48/87/387984887.db2.gz AGSOBFBUXAFSGR-UHFFFAOYSA-N 0 0 237.318 3.755 20 0 BHADRN CC(C)C(C)(C)C(=O)Nc1ccc(Cl)cc1 ZINC000439219707 387985601 /nfs/dbraw/zinc/98/56/01/387985601.db2.gz AOBZYBGXIIIAAE-UHFFFAOYSA-N 0 0 239.746 3.961 20 0 BHADRN Cc1ccc(F)cc1NC(=O)C(C)(C)C(C)C ZINC000439220269 387985084 /nfs/dbraw/zinc/98/50/84/387985084.db2.gz CRIUFXXFTIPGMN-UHFFFAOYSA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cccc(NC(=O)C(C)(C)C(C)C)c1 ZINC000439222414 387985053 /nfs/dbraw/zinc/98/50/53/387985053.db2.gz KRBAIKCGCLGQCG-UHFFFAOYSA-N 0 0 219.328 3.616 20 0 BHADRN Cc1ccc(NC(=O)C(C)(C)C(C)C)cc1C ZINC000439224546 387985607 /nfs/dbraw/zinc/98/56/07/387985607.db2.gz QDLKXMMFUKANJK-UHFFFAOYSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1cccc(NC(=O)C(C)(C)C(C)C)c1C ZINC000439225010 201439121 /nfs/dbraw/zinc/43/91/21/201439121.db2.gz RWCXOJUXGMLJNE-UHFFFAOYSA-N 0 0 233.355 3.924 20 0 BHADRN CCN(C(=O)CC(C)(C)CC)c1cccnc1C ZINC000439231794 387985902 /nfs/dbraw/zinc/98/59/02/387985902.db2.gz JGTNSKWKQKVTFA-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CCC[C@@H](C)CC(=O)N(CC)c1cccnc1C ZINC000439238152 201439638 /nfs/dbraw/zinc/43/96/38/201439638.db2.gz QWGZSYFWUMATEH-GFCCVEGCSA-N 0 0 248.370 3.569 20 0 BHADRN CCC[C@H](C)CC(=O)N(CC)c1cccnc1C ZINC000439238154 201439271 /nfs/dbraw/zinc/43/92/71/201439271.db2.gz QWGZSYFWUMATEH-LBPRGKRZSA-N 0 0 248.370 3.569 20 0 BHADRN CCN(C(=O)CCC(C)(C)C)c1cccnc1C ZINC000439239396 387985825 /nfs/dbraw/zinc/98/58/25/387985825.db2.gz RIHWRRRZWUWYMZ-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CCC(CC)CC(=O)N(CC)c1cccnc1C ZINC000439241305 387985049 /nfs/dbraw/zinc/98/50/49/387985049.db2.gz YLYYZGMGSPDEOF-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN c1coc(-c2nc(-c3cscn3)cs2)c1 ZINC000439245094 387984898 /nfs/dbraw/zinc/98/48/98/387984898.db2.gz IIDCMXFWMYPVTK-UHFFFAOYSA-N 0 0 234.305 3.527 20 0 BHADRN Cc1ccccc1CN(C)C(=O)C(C)(C)C(C)C ZINC000439249061 201439028 /nfs/dbraw/zinc/43/90/28/201439028.db2.gz QVAPPECPBMKETB-UHFFFAOYSA-N 0 0 247.382 3.636 20 0 BHADRN CCCC1(C(=O)Nc2ccc(O)cc2C)CCC1 ZINC000439264275 201440520 /nfs/dbraw/zinc/44/05/20/201440520.db2.gz WEXSZLQQUPBGEQ-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CC(C)c1ccc(CSCC[C@@H](C)O)cc1 ZINC000439273899 387988876 /nfs/dbraw/zinc/98/88/76/387988876.db2.gz MZCFGWOKVGUPNK-GFCCVEGCSA-N 0 0 238.396 3.814 20 0 BHADRN CC(C)c1ccc(CSCC[C@H](C)O)cc1 ZINC000439273903 387988830 /nfs/dbraw/zinc/98/88/30/387988830.db2.gz MZCFGWOKVGUPNK-LBPRGKRZSA-N 0 0 238.396 3.814 20 0 BHADRN C[C@@H](O)CCS[C@@H]1CCCc2ccccc21 ZINC000439280807 387990059 /nfs/dbraw/zinc/99/00/59/387990059.db2.gz SQMONDMRLXPAEF-BXUZGUMPSA-N 0 0 236.380 3.568 20 0 BHADRN C[C@H](O)CCS[C@H]1CCCc2ccccc21 ZINC000439280817 387989914 /nfs/dbraw/zinc/98/99/14/387989914.db2.gz SQMONDMRLXPAEF-FZMZJTMJSA-N 0 0 236.380 3.568 20 0 BHADRN C[C@@H](O)CCS[C@H]1CCCc2ccccc21 ZINC000439280820 387988848 /nfs/dbraw/zinc/98/88/48/387988848.db2.gz SQMONDMRLXPAEF-RISCZKNCSA-N 0 0 236.380 3.568 20 0 BHADRN C[C@H](O)CCS[C@@H]1CCCc2ccccc21 ZINC000439280822 201440304 /nfs/dbraw/zinc/44/03/04/201440304.db2.gz SQMONDMRLXPAEF-SMDDNHRTSA-N 0 0 236.380 3.568 20 0 BHADRN CCC(C)(C)CC(=O)Nc1ccc(C)c(O)c1C ZINC000439292507 387991036 /nfs/dbraw/zinc/99/10/36/387991036.db2.gz ARVMLGMIXAZQHT-UHFFFAOYSA-N 0 0 249.354 3.774 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N(C)[C@@H](C)C(C)C)CC1 ZINC000439410387 387996770 /nfs/dbraw/zinc/99/67/70/387996770.db2.gz NMLUJXGTJIPDBG-IHRRRGAJSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N(C)[C@H](C)C(C)C)CC1 ZINC000439410388 201445847 /nfs/dbraw/zinc/44/58/47/201445847.db2.gz NMLUJXGTJIPDBG-MGPQQGTHSA-N 0 0 239.403 3.706 20 0 BHADRN CCC1(C)CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000439463368 388000846 /nfs/dbraw/zinc/00/08/46/388000846.db2.gz BCKHDYLQHCGRNF-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC000439468412 388000734 /nfs/dbraw/zinc/00/07/34/388000734.db2.gz KYDXSZYHLYVEOO-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC000439468413 388000314 /nfs/dbraw/zinc/00/03/14/388000314.db2.gz KYDXSZYHLYVEOO-MGPQQGTHSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1cscc1NC(=O)NCCC(C)(C)C ZINC000439487112 388004962 /nfs/dbraw/zinc/00/49/62/388004962.db2.gz QJQYDQLBXLBYSZ-UHFFFAOYSA-N 0 0 240.372 3.614 20 0 BHADRN CC(C)C1CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000439506578 388005913 /nfs/dbraw/zinc/00/59/13/388005913.db2.gz DYEPNZRJTKQVGP-UHFFFAOYSA-N 0 0 239.403 3.563 20 0 BHADRN Cc1cccn2cc(CSCC3CCC3)nc12 ZINC000439538684 388007483 /nfs/dbraw/zinc/00/74/83/388007483.db2.gz AVZKFNMIQJJVAA-UHFFFAOYSA-N 0 0 246.379 3.676 20 0 BHADRN CCCC(CCC)SCc1cncn1C ZINC000439545015 388008927 /nfs/dbraw/zinc/00/89/27/388008927.db2.gz USCOOSOWOUJBIT-UHFFFAOYSA-N 0 0 226.389 3.622 20 0 BHADRN CC(C)SCc1cn2cc(Cl)ccc2n1 ZINC000439545275 388009580 /nfs/dbraw/zinc/00/95/80/388009580.db2.gz UAFVMGSAJQAHIA-UHFFFAOYSA-N 0 0 240.759 3.629 20 0 BHADRN CCC[C@@H](C)c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000439565707 388009937 /nfs/dbraw/zinc/00/99/37/388009937.db2.gz BOCBGZAMAQCJFB-BDAKNGLRSA-N 0 0 244.285 3.876 20 0 BHADRN CCC[C@H](C)c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000439565710 201456715 /nfs/dbraw/zinc/45/67/15/201456715.db2.gz BOCBGZAMAQCJFB-DTWKUNHWSA-N 0 0 244.285 3.876 20 0 BHADRN CCC[C@H](C)c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000439565712 388009112 /nfs/dbraw/zinc/00/91/12/388009112.db2.gz BOCBGZAMAQCJFB-IUCAKERBSA-N 0 0 244.285 3.876 20 0 BHADRN CCC[C@@H](C)c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000439565713 201455410 /nfs/dbraw/zinc/45/54/10/201455410.db2.gz BOCBGZAMAQCJFB-RKDXNWHRSA-N 0 0 244.285 3.876 20 0 BHADRN CCC(CC)c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000439570460 388009105 /nfs/dbraw/zinc/00/91/05/388009105.db2.gz KBZBZBGNMSNGBP-SECBINFHSA-N 0 0 244.285 3.876 20 0 BHADRN CCC(CC)c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000439570461 388009998 /nfs/dbraw/zinc/00/99/98/388009998.db2.gz KBZBZBGNMSNGBP-VIFPVBQESA-N 0 0 244.285 3.876 20 0 BHADRN CCCCCc1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000439579650 388009694 /nfs/dbraw/zinc/00/96/94/388009694.db2.gz ZGJLBBUCRMKILF-SECBINFHSA-N 0 0 244.285 3.705 20 0 BHADRN CCCCCc1nc([C@H]2CCC(F)(F)C2)no1 ZINC000439579651 388008781 /nfs/dbraw/zinc/00/87/81/388008781.db2.gz ZGJLBBUCRMKILF-VIFPVBQESA-N 0 0 244.285 3.705 20 0 BHADRN Cc1ccccc1C[C@@H](C)Nc1ncccc1F ZINC000439594826 388010192 /nfs/dbraw/zinc/01/01/92/388010192.db2.gz IXCPGUZWBFOCDK-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccccc1C[C@H](C)Nc1ncccc1F ZINC000439594851 201456354 /nfs/dbraw/zinc/45/63/54/201456354.db2.gz IXCPGUZWBFOCDK-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccc(CC[C@H](C)Nc2ncccc2F)o1 ZINC000439595896 388010148 /nfs/dbraw/zinc/01/01/48/388010148.db2.gz OEIMCBPSABSBRL-JTQLQIEISA-N 0 0 248.301 3.555 20 0 BHADRN Cc1ccc(CC[C@@H](C)Nc2ncccc2F)o1 ZINC000439595899 388010226 /nfs/dbraw/zinc/01/02/26/388010226.db2.gz OEIMCBPSABSBRL-SNVBAGLBSA-N 0 0 248.301 3.555 20 0 BHADRN Fc1cccnc1N1CCC2(CCCCC2)CC1 ZINC000439598026 388009008 /nfs/dbraw/zinc/00/90/08/388009008.db2.gz WLASLPPOSLSGCN-UHFFFAOYSA-N 0 0 248.345 3.771 20 0 BHADRN Cc1ccc2c(c1)CC[C@@H]2Nc1ncccc1F ZINC000439598385 201456349 /nfs/dbraw/zinc/45/63/49/201456349.db2.gz SQOPHUAIJCDBAR-AWEZNQCLSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1ccc2c(c1)CC[C@H]2Nc1ncccc1F ZINC000439598386 201456021 /nfs/dbraw/zinc/45/60/21/201456021.db2.gz SQOPHUAIJCDBAR-CQSZACIVSA-N 0 0 242.297 3.629 20 0 BHADRN Fc1cccnc1N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000439599555 388009521 /nfs/dbraw/zinc/00/95/21/388009521.db2.gz SVAXPAXYHBJGGH-GRYCIOLGSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccnc1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000439599564 388009297 /nfs/dbraw/zinc/00/92/97/388009297.db2.gz SVAXPAXYHBJGGH-IJLUTSLNSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccnc1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000439599565 388010283 /nfs/dbraw/zinc/01/02/83/388010283.db2.gz SVAXPAXYHBJGGH-QJPTWQEYSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccnc1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000439599567 388009066 /nfs/dbraw/zinc/00/90/66/388009066.db2.gz SVAXPAXYHBJGGH-SDDRHHMPSA-N 0 0 234.318 3.601 20 0 BHADRN C[C@@H](CNc1ncccc1F)c1ccc(F)cc1 ZINC000439602097 201455895 /nfs/dbraw/zinc/45/58/95/201455895.db2.gz OZYPTXRLOFSLCH-JTQLQIEISA-N 0 0 248.276 3.575 20 0 BHADRN C[C@H](CNc1ncccc1F)c1ccc(F)cc1 ZINC000439602098 388011717 /nfs/dbraw/zinc/01/17/17/388011717.db2.gz OZYPTXRLOFSLCH-SNVBAGLBSA-N 0 0 248.276 3.575 20 0 BHADRN Fc1cccnc1N1CCCC2(CCCCC2)C1 ZINC000439602410 388011616 /nfs/dbraw/zinc/01/16/16/388011616.db2.gz QPHRFLCHGFYIFF-UHFFFAOYSA-N 0 0 248.345 3.771 20 0 BHADRN CC(C)c1cc(Sc2cccc(F)c2)ncn1 ZINC000439603957 201456206 /nfs/dbraw/zinc/45/62/06/201456206.db2.gz NHZHTMQJKRDNGN-UHFFFAOYSA-N 0 0 248.326 3.890 20 0 BHADRN CCCC1(C(=O)Nc2cscc2C)CC1 ZINC000439604047 388011726 /nfs/dbraw/zinc/01/17/26/388011726.db2.gz OSWQUBFYCVJLER-UHFFFAOYSA-N 0 0 223.341 3.575 20 0 BHADRN Fc1cccc(Sc2ccnc(C3CC3)n2)c1 ZINC000439605430 201454576 /nfs/dbraw/zinc/45/45/76/201454576.db2.gz YBSHWLHFRADRGW-UHFFFAOYSA-N 0 0 246.310 3.644 20 0 BHADRN Fc1cccnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC000439606516 388010946 /nfs/dbraw/zinc/01/09/46/388010946.db2.gz HVOYNUHXSDYILC-HNNXBMFYSA-N 0 0 246.329 3.547 20 0 BHADRN Fc1cccnc1N1CCC[C@]2(CC=CCC2)C1 ZINC000439606517 388010934 /nfs/dbraw/zinc/01/09/34/388010934.db2.gz HVOYNUHXSDYILC-OAHLLOKOSA-N 0 0 246.329 3.547 20 0 BHADRN CC[C@H](Cc1ccccc1)Nc1ncccc1F ZINC000439608623 388011404 /nfs/dbraw/zinc/01/14/04/388011404.db2.gz YSTFJTLGSGHUJQ-CYBMUJFWSA-N 0 0 244.313 3.654 20 0 BHADRN CC[C@@H](Cc1ccccc1)Nc1ncccc1F ZINC000439608624 388011479 /nfs/dbraw/zinc/01/14/79/388011479.db2.gz YSTFJTLGSGHUJQ-ZDUSSCGKSA-N 0 0 244.313 3.654 20 0 BHADRN CCCC1(C(=O)Nc2cscc2C)CCC1 ZINC000439616498 388011370 /nfs/dbraw/zinc/01/13/70/388011370.db2.gz RRKWJDZOIUAKGB-UHFFFAOYSA-N 0 0 237.368 3.965 20 0 BHADRN Cc1ccc2oc(N(C)[C@H](C)C3(C)CC3)nc2c1 ZINC000439616686 201459225 /nfs/dbraw/zinc/45/92/25/201459225.db2.gz WRZAZLLSZYKUJG-LLVKDONJSA-N 0 0 244.338 3.761 20 0 BHADRN Cc1ccc2oc(N(C)[C@@H](C)C3(C)CC3)nc2c1 ZINC000439616687 388010849 /nfs/dbraw/zinc/01/08/49/388010849.db2.gz WRZAZLLSZYKUJG-NSHDSACASA-N 0 0 244.338 3.761 20 0 BHADRN CC(C)c1nccc(Sc2cccc(F)c2)n1 ZINC000439621409 388008871 /nfs/dbraw/zinc/00/88/71/388008871.db2.gz WEHRUFTVYJNIIT-UHFFFAOYSA-N 0 0 248.326 3.890 20 0 BHADRN C[C@@H](N(C)c1nc2cc(F)ccc2o1)C1(C)CC1 ZINC000439622592 352338258 /nfs/dbraw/zinc/33/82/58/352338258.db2.gz ZZKTVFFRCKWZHK-SECBINFHSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@H](N(C)c1nc2cc(F)ccc2o1)C1(C)CC1 ZINC000439622593 352338046 /nfs/dbraw/zinc/33/80/46/352338046.db2.gz ZZKTVFFRCKWZHK-VIFPVBQESA-N 0 0 248.301 3.592 20 0 BHADRN CCCN(CCC)C(=O)C(C)(C)CC(C)C ZINC000439664376 388012320 /nfs/dbraw/zinc/01/23/20/388012320.db2.gz OMMSBRAZABPCKL-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN CC(C)CC(C)(C)C(=O)N1CCc2ccccc21 ZINC000439665595 388013474 /nfs/dbraw/zinc/01/34/74/388013474.db2.gz SICPNJGXUUPWMY-UHFFFAOYSA-N 0 0 245.366 3.648 20 0 BHADRN CC(C)CC(C)(C)C(=O)NCC1CCCCC1 ZINC000439673511 388012596 /nfs/dbraw/zinc/01/25/96/388012596.db2.gz UUOMZKPFHPMRGL-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CC(C)(C)C(=O)Nc1cccc(F)c1 ZINC000439687576 388012340 /nfs/dbraw/zinc/01/23/40/388012340.db2.gz XSEMXEVNBWMBOU-UHFFFAOYSA-N 0 0 237.318 3.837 20 0 BHADRN CC(C)CC(C)(C)C(=O)Nc1ccc(F)cc1 ZINC000439687757 388012297 /nfs/dbraw/zinc/01/22/97/388012297.db2.gz YVRHZVWVWKTHMU-UHFFFAOYSA-N 0 0 237.318 3.837 20 0 BHADRN C[C@@H]1CC[C@@H](C)N(c2nc3ccccc3s2)C1 ZINC000439689344 201458265 /nfs/dbraw/zinc/45/82/65/201458265.db2.gz VCYAKXYIFUIAAV-GHMZBOCLSA-N 0 0 246.379 3.921 20 0 BHADRN C[C@@H]1CC[C@H](C)N(c2nc3ccccc3s2)C1 ZINC000439689345 388012509 /nfs/dbraw/zinc/01/25/09/388012509.db2.gz VCYAKXYIFUIAAV-MNOVXSKESA-N 0 0 246.379 3.921 20 0 BHADRN C[C@H]1CC[C@H](C)N(c2nc3ccccc3s2)C1 ZINC000439689346 201459071 /nfs/dbraw/zinc/45/90/71/201459071.db2.gz VCYAKXYIFUIAAV-QWRGUYRKSA-N 0 0 246.379 3.921 20 0 BHADRN C[C@@H]1CC[C@H](C)CN1c1nc2ccccc2s1 ZINC000439689347 201458611 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CC[C@@H](F)COc1ccc(Cl)cc1F ZINC000440572818 388056095 /nfs/dbraw/zinc/05/60/95/388056095.db2.gz YFKNPXFPWOJEBA-MRVPVSSYSA-N 0 0 220.646 3.606 20 0 BHADRN CC[C@H](F)COc1ccc(Cl)cc1F ZINC000440572819 388055567 /nfs/dbraw/zinc/05/55/67/388055567.db2.gz YFKNPXFPWOJEBA-QMMMGPOBSA-N 0 0 220.646 3.606 20 0 BHADRN CC[C@@H](F)COc1cc(C)ccc1Cl ZINC000440575145 388055592 /nfs/dbraw/zinc/05/55/92/388055592.db2.gz JPQRXKUDYDYCCY-SECBINFHSA-N 0 0 216.683 3.775 20 0 BHADRN CC[C@H](F)COc1cc(C)ccc1Cl ZINC000440575146 388055732 /nfs/dbraw/zinc/05/57/32/388055732.db2.gz JPQRXKUDYDYCCY-VIFPVBQESA-N 0 0 216.683 3.775 20 0 BHADRN CC[C@@H](F)CSc1cccc(OC)c1 ZINC000440576304 388055954 /nfs/dbraw/zinc/05/59/54/388055954.db2.gz MTYAUUDFGSOTSL-SECBINFHSA-N 0 0 214.305 3.535 20 0 BHADRN CC[C@H](F)CSc1cccc(OC)c1 ZINC000440576305 388055476 /nfs/dbraw/zinc/05/54/76/388055476.db2.gz MTYAUUDFGSOTSL-VIFPVBQESA-N 0 0 214.305 3.535 20 0 BHADRN CC[C@@H](F)CSc1ccc(OC)cc1 ZINC000440576415 388056159 /nfs/dbraw/zinc/05/61/59/388056159.db2.gz JGEICVSWXIPVMU-SECBINFHSA-N 0 0 214.305 3.535 20 0 BHADRN CC[C@H](F)CSc1ccc(OC)cc1 ZINC000440576416 388055650 /nfs/dbraw/zinc/05/56/50/388055650.db2.gz JGEICVSWXIPVMU-VIFPVBQESA-N 0 0 214.305 3.535 20 0 BHADRN CC[C@@H](F)COc1ccccc1C(F)(F)F ZINC000440576578 388056044 /nfs/dbraw/zinc/05/60/44/388056044.db2.gz QUJDORWQVORDER-MRVPVSSYSA-N 0 0 236.208 3.832 20 0 BHADRN CC[C@H](F)COc1ccccc1C(F)(F)F ZINC000440576579 388055388 /nfs/dbraw/zinc/05/53/88/388055388.db2.gz QUJDORWQVORDER-QMMMGPOBSA-N 0 0 236.208 3.832 20 0 BHADRN CC[C@@H](F)CSc1ncnc2ccsc21 ZINC000440577099 388056018 /nfs/dbraw/zinc/05/60/18/388056018.db2.gz SLDBXFAAQGDZOU-SSDOTTSWSA-N 0 0 242.344 3.532 20 0 BHADRN CC[C@H](F)CSc1ncnc2ccsc21 ZINC000440577100 388056149 /nfs/dbraw/zinc/05/61/49/388056149.db2.gz SLDBXFAAQGDZOU-ZETCQYMHSA-N 0 0 242.344 3.532 20 0 BHADRN CC[C@@H](F)CSc1ccc(F)cc1F ZINC000440578164 388055829 /nfs/dbraw/zinc/05/58/29/388055829.db2.gz VTGUZIJIURPDML-SSDOTTSWSA-N 0 0 220.259 3.805 20 0 BHADRN CC[C@H](F)CSc1ccc(F)cc1F ZINC000440578166 388057273 /nfs/dbraw/zinc/05/72/73/388057273.db2.gz VTGUZIJIURPDML-ZETCQYMHSA-N 0 0 220.259 3.805 20 0 BHADRN Cc1ccc(NC(=O)NC2(C)CCCC2)s1 ZINC000440578835 388056535 /nfs/dbraw/zinc/05/65/35/388056535.db2.gz GSESWJJPSOTFGD-UHFFFAOYSA-N 0 0 238.356 3.511 20 0 BHADRN CC(C)(C)CSCCCC1CCOCC1 ZINC000440579562 388056607 /nfs/dbraw/zinc/05/66/07/388056607.db2.gz ISDSJDZVOIPEIN-UHFFFAOYSA-N 0 0 230.417 3.973 20 0 BHADRN CC(C)(C)CSCc1nc(C(C)(C)C)no1 ZINC000440579981 388056942 /nfs/dbraw/zinc/05/69/42/388056942.db2.gz AYWYWQAFTPYODM-UHFFFAOYSA-N 0 0 242.388 3.646 20 0 BHADRN CC[C@@H](F)CSc1ncnc2sccc21 ZINC000440580434 388057062 /nfs/dbraw/zinc/05/70/62/388057062.db2.gz UFPDXHRGOAIXGY-SSDOTTSWSA-N 0 0 242.344 3.532 20 0 BHADRN CC[C@H](F)CSc1ncnc2sccc21 ZINC000440580436 201491397 /nfs/dbraw/zinc/49/13/97/201491397.db2.gz UFPDXHRGOAIXGY-ZETCQYMHSA-N 0 0 242.344 3.532 20 0 BHADRN CC(C)(C)CSCCOC1CCCC1 ZINC000440580611 388057253 /nfs/dbraw/zinc/05/72/53/388057253.db2.gz BXRJYXXROUHDHQ-UHFFFAOYSA-N 0 0 216.390 3.725 20 0 BHADRN CC[C@H](F)COc1ccc(Cl)cc1C(C)=O ZINC000440580990 388057200 /nfs/dbraw/zinc/05/72/00/388057200.db2.gz XRBPASVWXNJKQE-JTQLQIEISA-N 0 0 244.693 3.670 20 0 BHADRN CC[C@@H](F)COc1ccc(Cl)cc1C(C)=O ZINC000440580994 201494828 /nfs/dbraw/zinc/49/48/28/201494828.db2.gz XRBPASVWXNJKQE-SNVBAGLBSA-N 0 0 244.693 3.670 20 0 BHADRN CC[C@@H](F)CSCCOc1ccccc1 ZINC000440581047 201493835 /nfs/dbraw/zinc/49/38/35/201493835.db2.gz VLYJZJADBWUHGN-LLVKDONJSA-N 0 0 228.332 3.547 20 0 BHADRN CC[C@H](F)CSCCOc1ccccc1 ZINC000440581049 201495169 /nfs/dbraw/zinc/49/51/69/201495169.db2.gz VLYJZJADBWUHGN-NSHDSACASA-N 0 0 228.332 3.547 20 0 BHADRN COC1(CSCC(C)(C)C)CCCC1 ZINC000440581849 388056907 /nfs/dbraw/zinc/05/69/07/388056907.db2.gz GKCAMSVAHSRTRO-UHFFFAOYSA-N 0 0 216.390 3.725 20 0 BHADRN Cc1ccccc1CN(C#N)c1ccc(F)cc1 ZINC000440581872 388056545 /nfs/dbraw/zinc/05/65/45/388056545.db2.gz GLVSLRSHHZTOQW-UHFFFAOYSA-N 0 0 240.281 3.622 20 0 BHADRN Cc1nc(CCSCC(C)(C)C)cs1 ZINC000440582958 388057490 /nfs/dbraw/zinc/05/74/90/388057490.db2.gz QELGIZVDHGPJJU-UHFFFAOYSA-N 0 0 229.414 3.773 20 0 BHADRN C[C@@H]1C[C@H](CSCC(C)(C)C)CCO1 ZINC000440583322 388056692 /nfs/dbraw/zinc/05/66/92/388056692.db2.gz KHQIQGVQLLEBIH-GHMZBOCLSA-N 0 0 216.390 3.581 20 0 BHADRN C[C@@H]1C[C@@H](CSCC(C)(C)C)CCO1 ZINC000440583323 201493905 /nfs/dbraw/zinc/49/39/05/201493905.db2.gz KHQIQGVQLLEBIH-MNOVXSKESA-N 0 0 216.390 3.581 20 0 BHADRN C[C@H]1C[C@@H](CSCC(C)(C)C)CCO1 ZINC000440583324 388057218 /nfs/dbraw/zinc/05/72/18/388057218.db2.gz KHQIQGVQLLEBIH-QWRGUYRKSA-N 0 0 216.390 3.581 20 0 BHADRN C[C@H]1C[C@H](CSCC(C)(C)C)CCO1 ZINC000440583325 388056774 /nfs/dbraw/zinc/05/67/74/388056774.db2.gz KHQIQGVQLLEBIH-WDEREUQCSA-N 0 0 216.390 3.581 20 0 BHADRN Cc1cccc(CSCC(C)(C)C)n1 ZINC000440583801 201494739 /nfs/dbraw/zinc/49/47/39/201494739.db2.gz UEAZSXKJHMIFHC-UHFFFAOYSA-N 0 0 209.358 3.669 20 0 BHADRN CC(C)Cc1noc(CSCC(C)(C)C)n1 ZINC000440583861 385953722 /nfs/dbraw/zinc/95/37/22/385953722.db2.gz LTAPWAAQXCVVCY-UHFFFAOYSA-N 0 0 242.388 3.547 20 0 BHADRN COCc1nc(CSCC(C)(C)C)cs1 ZINC000440584701 388057328 /nfs/dbraw/zinc/05/73/28/388057328.db2.gz OWADLPSDPZCDCA-UHFFFAOYSA-N 0 0 245.413 3.569 20 0 BHADRN CC[C@@H](F)COc1c(F)cccc1Cl ZINC000440584772 201494968 /nfs/dbraw/zinc/49/49/68/201494968.db2.gz XDXLWUHHMGLGJB-SSDOTTSWSA-N 0 0 220.646 3.606 20 0 BHADRN CC[C@H](F)COc1c(F)cccc1Cl ZINC000440584773 201495063 /nfs/dbraw/zinc/49/50/63/201495063.db2.gz XDXLWUHHMGLGJB-ZETCQYMHSA-N 0 0 220.646 3.606 20 0 BHADRN Cc1nnc([C@@H](C)SCC(C)(C)C)s1 ZINC000440585217 388057075 /nfs/dbraw/zinc/05/70/75/388057075.db2.gz QUNXGGIAFWMIGY-SSDOTTSWSA-N 0 0 230.402 3.687 20 0 BHADRN Cc1nnc([C@H](C)SCC(C)(C)C)s1 ZINC000440585220 388056573 /nfs/dbraw/zinc/05/65/73/388056573.db2.gz QUNXGGIAFWMIGY-ZETCQYMHSA-N 0 0 230.402 3.687 20 0 BHADRN CC(C)(C)CSCCCOCC(F)(F)F ZINC000440585305 201494070 /nfs/dbraw/zinc/49/40/70/201494070.db2.gz RNGOTESNPOVJBZ-UHFFFAOYSA-N 0 0 244.322 3.735 20 0 BHADRN Cc1cncc(CSCC(C)(C)C)c1 ZINC000440585705 201494527 /nfs/dbraw/zinc/49/45/27/201494527.db2.gz UEBREEFYBZJXOY-UHFFFAOYSA-N 0 0 209.358 3.669 20 0 BHADRN COc1cc(C)nc(CSCC(C)(C)C)c1 ZINC000440586229 388058136 /nfs/dbraw/zinc/05/81/36/388058136.db2.gz BTTOSQGYNXSGTO-UHFFFAOYSA-N 0 0 239.384 3.678 20 0 BHADRN Cn1c(CSCC(C)(C)C)nc2ccccc21 ZINC000440586498 388058522 /nfs/dbraw/zinc/05/85/22/388058522.db2.gz BGRHUNDYKMLLRQ-UHFFFAOYSA-N 0 0 248.395 3.853 20 0 BHADRN CC(C)(C)CSCCOc1ccccc1 ZINC000440586693 385964741 /nfs/dbraw/zinc/96/47/41/385964741.db2.gz FAJPZGHZAJFOOR-UHFFFAOYSA-N 0 0 224.369 3.845 20 0 BHADRN CCc1noc(C)c1CSCC(C)(C)C ZINC000440586836 201494972 /nfs/dbraw/zinc/49/49/72/201494972.db2.gz YBFCNSWSWKREDY-UHFFFAOYSA-N 0 0 227.373 3.825 20 0 BHADRN CC(C)(C)CSCCCCCn1cccn1 ZINC000440587012 388058571 /nfs/dbraw/zinc/05/85/71/388058571.db2.gz DSEQISWJVMQUKN-UHFFFAOYSA-N 0 0 240.416 3.833 20 0 BHADRN CC[C@H](F)COc1ccc(C(C)=O)cc1Cl ZINC000440587157 388058462 /nfs/dbraw/zinc/05/84/62/388058462.db2.gz YWDKTOCMLLSZCX-JTQLQIEISA-N 0 0 244.693 3.670 20 0 BHADRN CC[C@@H](F)COc1ccc(C(C)=O)cc1Cl ZINC000440587158 388058486 /nfs/dbraw/zinc/05/84/86/388058486.db2.gz YWDKTOCMLLSZCX-SNVBAGLBSA-N 0 0 244.693 3.670 20 0 BHADRN C[C@H](SCC(C)(C)C)c1cccnc1 ZINC000440587397 388057708 /nfs/dbraw/zinc/05/77/08/388057708.db2.gz FSUWLJCTYQBQRC-JTQLQIEISA-N 0 0 209.358 3.922 20 0 BHADRN C[C@@H](SCC(C)(C)C)c1cccnc1 ZINC000440587399 388057879 /nfs/dbraw/zinc/05/78/79/388057879.db2.gz FSUWLJCTYQBQRC-SNVBAGLBSA-N 0 0 209.358 3.922 20 0 BHADRN Cc1cccc(CN(C#N)c2ccc(F)cc2)c1 ZINC000440587754 201494484 /nfs/dbraw/zinc/49/44/84/201494484.db2.gz JJFNIEPALSJJEX-UHFFFAOYSA-N 0 0 240.281 3.622 20 0 BHADRN CC(C)(C)CSCc1noc(C(C)(C)C)n1 ZINC000440588019 388057984 /nfs/dbraw/zinc/05/79/84/388057984.db2.gz JFWCVJSCTUGLBE-UHFFFAOYSA-N 0 0 242.388 3.646 20 0 BHADRN CC(C)(C)CSCc1cn2ccccc2n1 ZINC000440588415 388057989 /nfs/dbraw/zinc/05/79/89/388057989.db2.gz LLVFSZCOSCVNSU-UHFFFAOYSA-N 0 0 234.368 3.614 20 0 BHADRN CC(C)(C)CSCCCC(=O)OC(C)(C)C ZINC000440588668 201494141 /nfs/dbraw/zinc/49/41/41/201494141.db2.gz MQVONTYZPSSIAA-UHFFFAOYSA-N 0 0 246.416 3.888 20 0 BHADRN Cc1ccncc1CSCC(C)(C)C ZINC000440588809 388058208 /nfs/dbraw/zinc/05/82/08/388058208.db2.gz QBXPFXVGXDIVRG-UHFFFAOYSA-N 0 0 209.358 3.669 20 0 BHADRN Cc1cc(C(=O)CSCC(C)(C)C)c(C)[nH]1 ZINC000440589648 388058097 /nfs/dbraw/zinc/05/80/97/388058097.db2.gz QMSPOKIQDGZONZ-UHFFFAOYSA-N 0 0 239.384 3.594 20 0 BHADRN Cc1cccnc1CSCC(C)(C)C ZINC000440589664 388058480 /nfs/dbraw/zinc/05/84/80/388058480.db2.gz QSADMULNUIZQOW-UHFFFAOYSA-N 0 0 209.358 3.669 20 0 BHADRN CCCCc1nc(CSCC(C)(C)C)no1 ZINC000440589826 388057965 /nfs/dbraw/zinc/05/79/65/388057965.db2.gz VEGHMKOVIMCWPE-UHFFFAOYSA-N 0 0 242.388 3.692 20 0 BHADRN Cc1ccc(CN(C#N)c2ccc(F)cc2)cc1 ZINC000440589922 388057854 /nfs/dbraw/zinc/05/78/54/388057854.db2.gz VXFXEYGBBNLQEA-UHFFFAOYSA-N 0 0 240.281 3.622 20 0 BHADRN CC[C@@H](F)CSc1nc2cc(C)ccc2o1 ZINC000440590117 201495980 /nfs/dbraw/zinc/49/59/80/201495980.db2.gz SMTZYHXVIIAUFU-SECBINFHSA-N 0 0 239.315 3.976 20 0 BHADRN CC[C@H](F)CSc1nc2cc(C)ccc2o1 ZINC000440590118 201496168 /nfs/dbraw/zinc/49/61/68/201496168.db2.gz SMTZYHXVIIAUFU-VIFPVBQESA-N 0 0 239.315 3.976 20 0 BHADRN Cc1noc(C)c1CCSCC(C)(C)C ZINC000440590736 388057837 /nfs/dbraw/zinc/05/78/37/388057837.db2.gz ZNKZUJROPQKJPD-UHFFFAOYSA-N 0 0 227.373 3.613 20 0 BHADRN CC(C)(C)CSCC[C@H]1CCCCO1 ZINC000440591111 201495751 /nfs/dbraw/zinc/49/57/51/201495751.db2.gz XPKPNLXAZIDNGM-LLVKDONJSA-N 0 0 216.390 3.725 20 0 BHADRN CC(C)(C)CSCC[C@@H]1CCCCO1 ZINC000440591112 388058067 /nfs/dbraw/zinc/05/80/67/388058067.db2.gz XPKPNLXAZIDNGM-NSHDSACASA-N 0 0 216.390 3.725 20 0 BHADRN CC(C)CCCSCCO[C@@H]1CCCCO1 ZINC000440591171 388057753 /nfs/dbraw/zinc/05/77/53/388057753.db2.gz YOCBMTUYJRSWEW-CYBMUJFWSA-N 0 0 246.416 3.699 20 0 BHADRN CC(C)CCCSCCO[C@H]1CCCCO1 ZINC000440591172 201496028 /nfs/dbraw/zinc/49/60/28/201496028.db2.gz YOCBMTUYJRSWEW-ZDUSSCGKSA-N 0 0 246.416 3.699 20 0 BHADRN CC[C@@H](F)COc1cccc(Cl)c1F ZINC000440591302 487853927 /nfs/dbraw/zinc/85/39/27/487853927.db2.gz YWEWQUIAEJJSPQ-SSDOTTSWSA-N 0 0 220.646 3.606 20 0 BHADRN CC[C@H](F)COc1cccc(Cl)c1F ZINC000440591303 487853904 /nfs/dbraw/zinc/85/39/04/487853904.db2.gz YWEWQUIAEJJSPQ-ZETCQYMHSA-N 0 0 220.646 3.606 20 0 BHADRN CCC[C@@H](CC)SCCO[C@@H]1CCCCO1 ZINC000440591672 388059330 /nfs/dbraw/zinc/05/93/30/388059330.db2.gz BIMRXESGGNEWHT-CHWSQXEVSA-N 0 0 246.416 3.842 20 0 BHADRN CCC[C@@H](CC)SCCO[C@H]1CCCCO1 ZINC000440591674 201496082 /nfs/dbraw/zinc/49/60/82/201496082.db2.gz BIMRXESGGNEWHT-OLZOCXBDSA-N 0 0 246.416 3.842 20 0 BHADRN CCC[C@H](CC)SCCO[C@@H]1CCCCO1 ZINC000440591675 388059495 /nfs/dbraw/zinc/05/94/95/388059495.db2.gz BIMRXESGGNEWHT-QWHCGFSZSA-N 0 0 246.416 3.842 20 0 BHADRN CCC[C@H](CC)SCCO[C@H]1CCCCO1 ZINC000440591676 201496570 /nfs/dbraw/zinc/49/65/70/201496570.db2.gz BIMRXESGGNEWHT-STQMWFEESA-N 0 0 246.416 3.842 20 0 BHADRN Cc1cnc([C@@H](C)SCC(C)(C)C)o1 ZINC000440591965 388059669 /nfs/dbraw/zinc/05/96/69/388059669.db2.gz DIPWFNRFNYOFKF-SECBINFHSA-N 0 0 213.346 3.823 20 0 BHADRN Cc1cnc([C@H](C)SCC(C)(C)C)o1 ZINC000440591966 388059028 /nfs/dbraw/zinc/05/90/28/388059028.db2.gz DIPWFNRFNYOFKF-VIFPVBQESA-N 0 0 213.346 3.823 20 0 BHADRN CC(C)(C)OC(=O)CCS[C@@H]1C=CCCC1 ZINC000440591987 388058894 /nfs/dbraw/zinc/05/88/94/388058894.db2.gz UDFOZYNQCIRTGJ-LLVKDONJSA-N 0 0 242.384 3.560 20 0 BHADRN CC(C)(C)OC(=O)CCS[C@H]1C=CCCC1 ZINC000440591988 388059048 /nfs/dbraw/zinc/05/90/48/388059048.db2.gz UDFOZYNQCIRTGJ-NSHDSACASA-N 0 0 242.384 3.560 20 0 BHADRN CCC(CC)SCCC(=O)OC(C)(C)C ZINC000440592016 201495601 /nfs/dbraw/zinc/49/56/01/201495601.db2.gz UPDQPWYBGNGBFN-UHFFFAOYSA-N 0 0 232.389 3.640 20 0 BHADRN CCOC(=O)CCCCCSCC(C)(C)C ZINC000440592033 388054179 /nfs/dbraw/zinc/05/41/79/388054179.db2.gz DQAWSKZROMLTBI-UHFFFAOYSA-N 0 0 246.416 3.889 20 0 BHADRN CCC[C@@H](CC)SCC1(CC(=O)OC)CC1 ZINC000440592908 388059252 /nfs/dbraw/zinc/05/92/52/388059252.db2.gz HSVNHIQZEJQCHP-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CCC[C@H](CC)SCC1(CC(=O)OC)CC1 ZINC000440592914 388059218 /nfs/dbraw/zinc/05/92/18/388059218.db2.gz HSVNHIQZEJQCHP-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CCC[C@H](C)SCCC(=O)OC(C)(C)C ZINC000440593119 388059720 /nfs/dbraw/zinc/05/97/20/388059720.db2.gz YILVMJSCYOJEKZ-JTQLQIEISA-N 0 0 232.389 3.640 20 0 BHADRN CCC[C@@H](C)SCCC(=O)OC(C)(C)C ZINC000440593120 388058953 /nfs/dbraw/zinc/05/89/53/388058953.db2.gz YILVMJSCYOJEKZ-SNVBAGLBSA-N 0 0 232.389 3.640 20 0 BHADRN CC(C)(C)CSCc1cnc2ccccn12 ZINC000440593385 388059840 /nfs/dbraw/zinc/05/98/40/388059840.db2.gz JCVBZORTSPWIEI-UHFFFAOYSA-N 0 0 234.368 3.614 20 0 BHADRN CC/C=C\CCSCCC(=O)OC(C)(C)C ZINC000440593898 201495939 /nfs/dbraw/zinc/49/59/39/201495939.db2.gz AQCKWLVOYYETPG-SREVYHEPSA-N 0 0 244.400 3.808 20 0 BHADRN CC/C=C/CCSCCC(=O)OC(C)(C)C ZINC000440593900 388059068 /nfs/dbraw/zinc/05/90/68/388059068.db2.gz AQCKWLVOYYETPG-VOTSOKGWSA-N 0 0 244.400 3.808 20 0 BHADRN CC(C)(C)CSCc1nc2ccccc2[nH]1 ZINC000440594078 388059397 /nfs/dbraw/zinc/05/93/97/388059397.db2.gz HLZMALZHDQGSNF-UHFFFAOYSA-N 0 0 234.368 3.842 20 0 BHADRN CCc1nc(CSCC(C)(C)C)cs1 ZINC000440594101 388059122 /nfs/dbraw/zinc/05/91/22/388059122.db2.gz KQERGRUWZQXKIS-UHFFFAOYSA-N 0 0 229.414 3.985 20 0 BHADRN CC(C)(C)CSCc1cn2ccsc2n1 ZINC000440594250 388059851 /nfs/dbraw/zinc/05/98/51/388059851.db2.gz IJJRUPMBZVJGAX-UHFFFAOYSA-N 0 0 240.397 3.675 20 0 BHADRN CC[C@@H](F)CSc1c(OC)cccc1OC ZINC000440594436 388057149 /nfs/dbraw/zinc/05/71/49/388057149.db2.gz CDXFZDGIMFGACM-SECBINFHSA-N 0 0 244.331 3.544 20 0 BHADRN CC[C@H](F)CSc1c(OC)cccc1OC ZINC000440594440 388056754 /nfs/dbraw/zinc/05/67/54/388056754.db2.gz CDXFZDGIMFGACM-VIFPVBQESA-N 0 0 244.331 3.544 20 0 BHADRN CC[C@@H](F)CSCc1cccc(OC)c1 ZINC000440594996 201495678 /nfs/dbraw/zinc/49/56/78/201495678.db2.gz DLDNILGTZSCOFF-LLVKDONJSA-N 0 0 228.332 3.677 20 0 BHADRN CC[C@H](F)CSCc1cccc(OC)c1 ZINC000440594997 388059358 /nfs/dbraw/zinc/05/93/58/388059358.db2.gz DLDNILGTZSCOFF-NSHDSACASA-N 0 0 228.332 3.677 20 0 BHADRN CC[C@@H](F)CSc1ccccc1OC ZINC000440595093 201496278 /nfs/dbraw/zinc/49/62/78/201496278.db2.gz JZVVAHYZJGULEF-SECBINFHSA-N 0 0 214.305 3.535 20 0 BHADRN CC[C@H](F)CSc1ccccc1OC ZINC000440595095 388059290 /nfs/dbraw/zinc/05/92/90/388059290.db2.gz JZVVAHYZJGULEF-VIFPVBQESA-N 0 0 214.305 3.535 20 0 BHADRN CC[C@@H](F)CSc1ncc(C(C)(C)C)o1 ZINC000440595974 201495968 /nfs/dbraw/zinc/49/59/68/201495968.db2.gz GYANPYCSZWOXHL-MRVPVSSYSA-N 0 0 231.336 3.812 20 0 BHADRN CC[C@H](F)CSc1ncc(C(C)(C)C)o1 ZINC000440595975 388059436 /nfs/dbraw/zinc/05/94/36/388059436.db2.gz GYANPYCSZWOXHL-QMMMGPOBSA-N 0 0 231.336 3.812 20 0 BHADRN CC[C@H](F)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000440596477 388059561 /nfs/dbraw/zinc/05/95/61/388059561.db2.gz ILLGBXZHQCENEU-AWEZNQCLSA-N 0 0 232.302 3.607 20 0 BHADRN CC[C@@H](F)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000440596478 388059822 /nfs/dbraw/zinc/05/98/22/388059822.db2.gz ILLGBXZHQCENEU-CQSZACIVSA-N 0 0 232.302 3.607 20 0 BHADRN CCCCc1noc(CSCC(C)(C)C)n1 ZINC000440596947 388058918 /nfs/dbraw/zinc/05/89/18/388058918.db2.gz GZGIBKZVCWNOEQ-UHFFFAOYSA-N 0 0 242.388 3.692 20 0 BHADRN CC(C)(C)CSCCCO[C@@H]1CCCCO1 ZINC000440597127 388059065 /nfs/dbraw/zinc/05/90/65/388059065.db2.gz KHCHDPJCGHOUEQ-GFCCVEGCSA-N 0 0 246.416 3.699 20 0 BHADRN CC(C)(C)CSCCCO[C@H]1CCCCO1 ZINC000440597129 388061000 /nfs/dbraw/zinc/06/10/00/388061000.db2.gz KHCHDPJCGHOUEQ-LBPRGKRZSA-N 0 0 246.416 3.699 20 0 BHADRN CC(C)(C)CSCCCc1ccncc1 ZINC000440597537 201497418 /nfs/dbraw/zinc/49/74/18/201497418.db2.gz CLWURFYVPKFOGQ-UHFFFAOYSA-N 0 0 223.385 3.794 20 0 BHADRN CC[C@H](SCC(C)(C)C)C(=O)OC(C)(C)C ZINC000440597540 388061225 /nfs/dbraw/zinc/06/12/25/388061225.db2.gz CMCRTWAXSLPDPY-JTQLQIEISA-N 0 0 246.416 3.886 20 0 BHADRN CC[C@@H](SCC(C)(C)C)C(=O)OC(C)(C)C ZINC000440597541 201497449 /nfs/dbraw/zinc/49/74/49/201497449.db2.gz CMCRTWAXSLPDPY-SNVBAGLBSA-N 0 0 246.416 3.886 20 0 BHADRN C[C@@H](SCC(C)(C)C)c1nc(C2CC2)no1 ZINC000440598234 201498025 /nfs/dbraw/zinc/49/80/25/201498025.db2.gz UZJWOLQSVMQHRP-MRVPVSSYSA-N 0 0 240.372 3.787 20 0 BHADRN C[C@H](SCC(C)(C)C)c1nc(C2CC2)no1 ZINC000440598235 388060366 /nfs/dbraw/zinc/06/03/66/388060366.db2.gz UZJWOLQSVMQHRP-QMMMGPOBSA-N 0 0 240.372 3.787 20 0 BHADRN CC(C)(C)CSCc1ncoc1C1CC1 ZINC000440598820 398191574 /nfs/dbraw/zinc/19/15/74/398191574.db2.gz WQLKGKLRIXOZQD-UHFFFAOYSA-N 0 0 225.357 3.831 20 0 BHADRN CC(C)CCOCCSCC(C)(C)C ZINC000440599036 388061079 /nfs/dbraw/zinc/06/10/79/388061079.db2.gz XIMUSVFOJUMQQW-UHFFFAOYSA-N 0 0 218.406 3.828 20 0 BHADRN Cc1nccn1CCCCSCC(C)(C)C ZINC000440599281 388060449 /nfs/dbraw/zinc/06/04/49/388060449.db2.gz XZMWYXBYWSROTJ-UHFFFAOYSA-N 0 0 240.416 3.751 20 0 BHADRN CC[C@@H](F)COc1ccc(Cl)c(F)c1 ZINC000440600818 388060510 /nfs/dbraw/zinc/06/05/10/388060510.db2.gz BXFWPBSYSFKGPA-SSDOTTSWSA-N 0 0 220.646 3.606 20 0 BHADRN CC[C@H](F)COc1ccc(Cl)c(F)c1 ZINC000440600820 388060618 /nfs/dbraw/zinc/06/06/18/388060618.db2.gz BXFWPBSYSFKGPA-ZETCQYMHSA-N 0 0 220.646 3.606 20 0 BHADRN CC(C)(C)CSCC(=O)C1CCCCC1 ZINC000440602672 388061088 /nfs/dbraw/zinc/06/10/88/388061088.db2.gz OKHJBIAAVMYPIE-UHFFFAOYSA-N 0 0 228.401 3.915 20 0 BHADRN CC[C@@H](F)COc1cc(Cl)ccc1F ZINC000440603630 201498549 /nfs/dbraw/zinc/49/85/49/201498549.db2.gz ZQMWBCFKDJPZCJ-MRVPVSSYSA-N 0 0 220.646 3.606 20 0 BHADRN CC[C@H](F)COc1cc(Cl)ccc1F ZINC000440603631 388062185 /nfs/dbraw/zinc/06/21/85/388062185.db2.gz ZQMWBCFKDJPZCJ-QMMMGPOBSA-N 0 0 220.646 3.606 20 0 BHADRN CC(C)n1ccc(CSCC(C)(C)C)n1 ZINC000440604570 201497953 /nfs/dbraw/zinc/49/79/53/201497953.db2.gz IQDMUNTUHHCKKE-UHFFFAOYSA-N 0 0 226.389 3.743 20 0 BHADRN Cc1ccc(CSCC(C)(C)C)c(C)n1 ZINC000440604619 388062614 /nfs/dbraw/zinc/06/26/14/388062614.db2.gz WKHSITQJHKHFDY-UHFFFAOYSA-N 0 0 223.385 3.978 20 0 BHADRN Cc1nc2ccccn2c1CSCC(C)(C)C ZINC000440604733 201497648 /nfs/dbraw/zinc/49/76/48/201497648.db2.gz IVXUPCVLKGKSOE-UHFFFAOYSA-N 0 0 248.395 3.922 20 0 BHADRN CC(C)(C)CSC[C@@H]1CCC(C)(C)O1 ZINC000440605335 201497386 /nfs/dbraw/zinc/49/73/86/201497386.db2.gz ZRPCMRZXPFGYLH-JTQLQIEISA-N 0 0 216.390 3.723 20 0 BHADRN CC(C)(C)CSC[C@H]1CCC(C)(C)O1 ZINC000440605337 201497662 /nfs/dbraw/zinc/49/76/62/201497662.db2.gz ZRPCMRZXPFGYLH-SNVBAGLBSA-N 0 0 216.390 3.723 20 0 BHADRN CCC(=O)c1ccc(OC[C@@H](F)CC)c(F)c1 ZINC000440605396 388061749 /nfs/dbraw/zinc/06/17/49/388061749.db2.gz LOVXCPQVGOJZNQ-JTQLQIEISA-N 0 0 242.265 3.545 20 0 BHADRN CCC(=O)c1ccc(OC[C@H](F)CC)c(F)c1 ZINC000440605397 388061911 /nfs/dbraw/zinc/06/19/11/388061911.db2.gz LOVXCPQVGOJZNQ-SNVBAGLBSA-N 0 0 242.265 3.545 20 0 BHADRN COCCSCCCSCC(C)(C)C ZINC000440606338 201498205 /nfs/dbraw/zinc/49/82/05/201498205.db2.gz VEVCFMXKRBWROM-UHFFFAOYSA-N 0 0 236.446 3.535 20 0 BHADRN CC[C@@H](F)CSCc1ccccc1OC ZINC000440606459 388061957 /nfs/dbraw/zinc/06/19/57/388061957.db2.gz WRLYBDIFLILAKC-LLVKDONJSA-N 0 0 228.332 3.677 20 0 BHADRN CC[C@H](F)CSCc1ccccc1OC ZINC000440606460 388061965 /nfs/dbraw/zinc/06/19/65/388061965.db2.gz WRLYBDIFLILAKC-NSHDSACASA-N 0 0 228.332 3.677 20 0 BHADRN CCN(CCOC(C)C)c1ccccc1Cl ZINC000440617270 388062166 /nfs/dbraw/zinc/06/21/66/388062166.db2.gz KSMLIJZMEVXRQD-UHFFFAOYSA-N 0 0 241.762 3.591 20 0 BHADRN CCN(Cc1cccnc1)c1ccccc1Cl ZINC000440622121 388063006 /nfs/dbraw/zinc/06/30/06/388063006.db2.gz SFEAMBYVDOSCNR-UHFFFAOYSA-N 0 0 246.741 3.762 20 0 BHADRN CC(C)CC1(C(=O)Nc2ccsc2)CC1 ZINC000440623442 201500607 /nfs/dbraw/zinc/50/06/07/201500607.db2.gz WQWQJNUVCQFJLB-UHFFFAOYSA-N 0 0 223.341 3.513 20 0 BHADRN CCN(CCCF)c1ccc(Cl)cc1F ZINC000440624573 388062947 /nfs/dbraw/zinc/06/29/47/388062947.db2.gz MBDYKFOHVYIPRG-UHFFFAOYSA-N 0 0 233.689 3.665 20 0 BHADRN CCN(CCCF)c1ccc(Cl)c(F)c1 ZINC000440640490 386021103 /nfs/dbraw/zinc/02/11/03/386021103.db2.gz SJQUUTZFGIDNPW-UHFFFAOYSA-N 0 0 233.689 3.665 20 0 BHADRN CCN(CCSC)c1ccccc1Cl ZINC000440642173 388063573 /nfs/dbraw/zinc/06/35/73/388063573.db2.gz XJAXXJQAKBGGOE-UHFFFAOYSA-N 0 0 229.776 3.529 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)C1CC(F)(F)C1 ZINC000440650071 388063068 /nfs/dbraw/zinc/06/30/68/388063068.db2.gz UETXOVIFZBIPCH-LLVKDONJSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C1CC(F)(F)C1 ZINC000440650073 388063244 /nfs/dbraw/zinc/06/32/44/388063244.db2.gz UETXOVIFZBIPCH-NSHDSACASA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)Nc1ncnc2sc3ccccc3c21 ZINC000440658486 388064935 /nfs/dbraw/zinc/06/49/35/388064935.db2.gz CNWZXLFGJWXVRB-UHFFFAOYSA-N 0 0 243.335 3.665 20 0 BHADRN CCC1(CC)CCN(C(=O)c2coc(C)c2)CC1 ZINC000440665509 201499053 /nfs/dbraw/zinc/49/90/53/201499053.db2.gz REUHEARCCQBRII-UHFFFAOYSA-N 0 0 249.354 3.630 20 0 BHADRN CC[C@@H](F)CN(C)Cc1ccccc1Cl ZINC000440689423 388066242 /nfs/dbraw/zinc/06/62/42/388066242.db2.gz BOZQSFRSHVYUDZ-LLVKDONJSA-N 0 0 229.726 3.520 20 0 BHADRN CC[C@H](F)CN(C)Cc1ccccc1Cl ZINC000440689424 388067123 /nfs/dbraw/zinc/06/71/23/388067123.db2.gz BOZQSFRSHVYUDZ-NSHDSACASA-N 0 0 229.726 3.520 20 0 BHADRN CC[C@@H](F)CN1CCCSc2ccccc21 ZINC000440690244 386073303 /nfs/dbraw/zinc/07/33/03/386073303.db2.gz FONRXNIPQSYIRR-LLVKDONJSA-N 0 0 239.359 3.737 20 0 BHADRN CC[C@H](F)CN1CCCSc2ccccc21 ZINC000440690248 386072812 /nfs/dbraw/zinc/07/28/12/386072812.db2.gz FONRXNIPQSYIRR-NSHDSACASA-N 0 0 239.359 3.737 20 0 BHADRN CC[C@@H](F)CN(CC)Cc1ccc(Cl)s1 ZINC000440699969 206080351 /nfs/dbraw/zinc/08/03/51/206080351.db2.gz DYKZCPAASACAJF-SECBINFHSA-N 0 0 249.782 3.972 20 0 BHADRN CC[C@H](F)CN(CC)Cc1ccc(Cl)s1 ZINC000440699970 388068560 /nfs/dbraw/zinc/06/85/60/388068560.db2.gz DYKZCPAASACAJF-VIFPVBQESA-N 0 0 249.782 3.972 20 0 BHADRN CC[C@@H](F)CN(Cc1ccccc1F)C1CC1 ZINC000440700538 388068308 /nfs/dbraw/zinc/06/83/08/388068308.db2.gz GNHIZRCUYUJUDK-GFCCVEGCSA-N 0 0 239.309 3.538 20 0 BHADRN CC[C@H](F)CN(Cc1ccccc1F)C1CC1 ZINC000440700540 388069240 /nfs/dbraw/zinc/06/92/40/388069240.db2.gz GNHIZRCUYUJUDK-LBPRGKRZSA-N 0 0 239.309 3.538 20 0 BHADRN CC[C@H](F)CN(CC)Cc1c(F)cccc1F ZINC000440705432 387674809 /nfs/dbraw/zinc/67/48/09/387674809.db2.gz OPNHWWJGOYGXPJ-JTQLQIEISA-N 0 0 245.288 3.535 20 0 BHADRN CC[C@@H](F)CN(CC)Cc1c(F)cccc1F ZINC000440705433 387673880 /nfs/dbraw/zinc/67/38/80/387673880.db2.gz OPNHWWJGOYGXPJ-SNVBAGLBSA-N 0 0 245.288 3.535 20 0 BHADRN CC[C@@H](F)CN(C)[C@H](C)c1c(F)cccc1F ZINC000440706522 387674738 /nfs/dbraw/zinc/67/47/38/387674738.db2.gz RXNPKAPCUAOZDD-NXEZZACHSA-N 0 0 245.288 3.706 20 0 BHADRN CC[C@H](F)CN(C)[C@@H](C)c1c(F)cccc1F ZINC000440706523 387673734 /nfs/dbraw/zinc/67/37/34/387673734.db2.gz RXNPKAPCUAOZDD-UWVGGRQHSA-N 0 0 245.288 3.706 20 0 BHADRN CC[C@@H](F)CN(C)[C@@H](C)c1c(F)cccc1F ZINC000440706524 387675839 /nfs/dbraw/zinc/67/58/39/387675839.db2.gz RXNPKAPCUAOZDD-VHSXEESVSA-N 0 0 245.288 3.706 20 0 BHADRN CC[C@H](F)CN(C)[C@H](C)c1c(F)cccc1F ZINC000440706525 387675010 /nfs/dbraw/zinc/67/50/10/387675010.db2.gz RXNPKAPCUAOZDD-ZJUUUORDSA-N 0 0 245.288 3.706 20 0 BHADRN CC[C@@H](F)CN(C)[C@@H](C)c1sc(C)nc1C ZINC000440706645 387675652 /nfs/dbraw/zinc/67/56/52/387675652.db2.gz SRLRQWYORAGQFF-GXSJLCMTSA-N 0 0 244.379 3.501 20 0 BHADRN CC[C@H](F)CN(C)[C@H](C)c1sc(C)nc1C ZINC000440706649 387674504 /nfs/dbraw/zinc/67/45/04/387674504.db2.gz SRLRQWYORAGQFF-KOLCDFICSA-N 0 0 244.379 3.501 20 0 BHADRN CC[C@@H](F)CN(C)[C@H](C)c1sc(C)nc1C ZINC000440706650 387674171 /nfs/dbraw/zinc/67/41/71/387674171.db2.gz SRLRQWYORAGQFF-MWLCHTKSSA-N 0 0 244.379 3.501 20 0 BHADRN CC[C@H](F)CN(C)[C@@H](C)c1sc(C)nc1C ZINC000440706651 387673972 /nfs/dbraw/zinc/67/39/72/387673972.db2.gz SRLRQWYORAGQFF-ONGXEEELSA-N 0 0 244.379 3.501 20 0 BHADRN CC[C@@H](F)CN(C)Cc1c(F)cccc1Cl ZINC000440708818 387678023 /nfs/dbraw/zinc/67/80/23/387678023.db2.gz GOWPQKRWPBRRPP-SECBINFHSA-N 0 0 247.716 3.659 20 0 BHADRN CC[C@H](F)CN(C)Cc1c(F)cccc1Cl ZINC000440708819 387678596 /nfs/dbraw/zinc/67/85/96/387678596.db2.gz GOWPQKRWPBRRPP-VIFPVBQESA-N 0 0 247.716 3.659 20 0 BHADRN 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ZINC000441068893 387726247 /nfs/dbraw/zinc/72/62/47/387726247.db2.gz NRPYKQSXKQFSJE-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1c(F)cccc1NC(=O)C1(CC(C)C)CC1 ZINC000441073370 387728689 /nfs/dbraw/zinc/72/86/89/387728689.db2.gz RYFKBCHBCCAJOT-UHFFFAOYSA-N 0 0 249.329 3.899 20 0 BHADRN CCN(Cc1nccs1)c1cccc(C)c1C ZINC000441149748 387731820 /nfs/dbraw/zinc/73/18/20/387731820.db2.gz DORXOQCQOPVEMP-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CC[N@H+](CCC1CC1)Cc1ccccc1Cl ZINC000441193169 387735020 /nfs/dbraw/zinc/73/50/20/387735020.db2.gz YXNBCVKHYBIGCS-UHFFFAOYSA-N 0 0 237.774 3.962 20 0 BHADRN Cc1cc(NCc2cccnc2)cc(C)c1Cl ZINC000441194555 387734750 /nfs/dbraw/zinc/73/47/50/387734750.db2.gz CJEQPQXWWXDOTO-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1cc(NCc2cccn2C)cc(C)c1Cl ZINC000441195858 387735218 /nfs/dbraw/zinc/73/52/18/387735218.db2.gz FKQHTINIPOVUTC-UHFFFAOYSA-N 0 0 248.757 3.907 20 0 BHADRN CCC(C)(C)CC[N@H+](C)Cc1ccc(C)o1 ZINC000441202027 387734936 /nfs/dbraw/zinc/73/49/36/387734936.db2.gz QZVAKZSJGOVNRK-UHFFFAOYSA-N 0 0 223.360 3.846 20 0 BHADRN Cc1cc(NCc2ccn(C)c2)cc(C)c1Cl ZINC000441205499 387735309 /nfs/dbraw/zinc/73/53/09/387735309.db2.gz URPAAODECNBFSE-UHFFFAOYSA-N 0 0 248.757 3.907 20 0 BHADRN Cc1cc(NCc2ccccn2)cc(C)c1Cl ZINC000441205882 201540257 /nfs/dbraw/zinc/54/02/57/201540257.db2.gz LDSOEJPNTXZOOE-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1cc(NCc2ccncc2)cc(C)c1Cl ZINC000441208172 201540296 /nfs/dbraw/zinc/54/02/96/201540296.db2.gz RAJCVSVOCRIIAT-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN CCC(C)(C)CC[N@H+](C)Cc1ccoc1C ZINC000441216200 386436189 /nfs/dbraw/zinc/43/61/89/386436189.db2.gz CPYSEDBOVLQJFY-UHFFFAOYSA-N 0 0 223.360 3.846 20 0 BHADRN Cc1cc(C)cc(N(C)CCC2CC2)c1 ZINC000441222696 387738746 /nfs/dbraw/zinc/73/87/46/387738746.db2.gz BQWKXDSSUFZKGM-UHFFFAOYSA-N 0 0 203.329 3.540 20 0 BHADRN Cc1cc(C)cc(N(C)CC2CCC2)c1 ZINC000441232930 387739300 /nfs/dbraw/zinc/73/93/00/387739300.db2.gz SWGUYGLYLAAAMR-UHFFFAOYSA-N 0 0 203.329 3.540 20 0 BHADRN Cc1cccc(N(C)CCC2CC2)c1C ZINC000441234576 387738569 /nfs/dbraw/zinc/73/85/69/387738569.db2.gz VVBFCCKWVOTJHY-UHFFFAOYSA-N 0 0 203.329 3.540 20 0 BHADRN Cc1cccc(N(C)CC2CCC2)c1C ZINC000441236020 387737483 /nfs/dbraw/zinc/73/74/83/387737483.db2.gz YPDJJCSPDRVINJ-UHFFFAOYSA-N 0 0 203.329 3.540 20 0 BHADRN Fc1ccccc1C[N@H+](CC1CCC1)C1CC1 ZINC000441254551 386447261 /nfs/dbraw/zinc/44/72/61/386447261.db2.gz MSBFAWBNWQHZRH-UHFFFAOYSA-N 0 0 233.330 3.590 20 0 BHADRN Cc1cccc(N(Cc2nccs2)C(C)C)c1 ZINC000441259495 387742078 /nfs/dbraw/zinc/74/20/78/387742078.db2.gz DQJFPLAJRNAENN-UHFFFAOYSA-N 0 0 246.379 3.867 20 0 BHADRN CC(C)CC1(C(=O)N[C@H](C)CCC2CC2)CC1 ZINC000441274933 387741847 /nfs/dbraw/zinc/74/18/47/387741847.db2.gz HEBBZBHUNWQGAH-GFCCVEGCSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H](C)CCC2CC2)CC1 ZINC000441274934 387741413 /nfs/dbraw/zinc/74/14/13/387741413.db2.gz HEBBZBHUNWQGAH-LBPRGKRZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2CC23CCCCC3)CC1 ZINC000441289127 387744191 /nfs/dbraw/zinc/74/41/91/387744191.db2.gz URDADEUGJGVODQ-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)CC1(C(=O)N[C@H]2CC23CCCCC3)CC1 ZINC000441289128 387744858 /nfs/dbraw/zinc/74/48/58/387744858.db2.gz URDADEUGJGVODQ-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)CC1(C(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000441296379 387743523 /nfs/dbraw/zinc/74/35/23/387743523.db2.gz NQMMWOBUWDUTJZ-AWEZNQCLSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)CC1(C(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000441296380 387743536 /nfs/dbraw/zinc/74/35/36/387743536.db2.gz NQMMWOBUWDUTJZ-CQSZACIVSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000441298335 387745637 /nfs/dbraw/zinc/74/56/37/387745637.db2.gz AYOHYSDAYLEIMB-GFCCVEGCSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@H]2CCC(C)(C)C2)CC1 ZINC000441298336 201545527 /nfs/dbraw/zinc/54/55/27/201545527.db2.gz AYOHYSDAYLEIMB-LBPRGKRZSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1cccc(NC(=O)C2(CC(C)C)CC2)c1F ZINC000441301028 387743669 /nfs/dbraw/zinc/74/36/69/387743669.db2.gz IMAPDIIIEWTXCU-UHFFFAOYSA-N 0 0 249.329 3.899 20 0 BHADRN CCC(C)(C)CCN(CC(F)F)C1CC1 ZINC000441313217 387745024 /nfs/dbraw/zinc/74/50/24/387745024.db2.gz RUELQNBHEZRRQB-UHFFFAOYSA-N 0 0 219.319 3.542 20 0 BHADRN CCCN(CC)C(=O)CC[C@H](C)c1ccccc1 ZINC000441324341 201545318 /nfs/dbraw/zinc/54/53/18/201545318.db2.gz PXMHVSUSGMYEEV-AWEZNQCLSA-N 0 0 247.382 3.829 20 0 BHADRN CCCN(CC)C(=O)CC[C@@H](C)c1ccccc1 ZINC000441324342 387748163 /nfs/dbraw/zinc/74/81/63/387748163.db2.gz PXMHVSUSGMYEEV-CQSZACIVSA-N 0 0 247.382 3.829 20 0 BHADRN CCN(Cc1ccncc1)c1ccccc1Cl ZINC000441351797 387751251 /nfs/dbraw/zinc/75/12/51/387751251.db2.gz WXWNFPSIYODZAZ-UHFFFAOYSA-N 0 0 246.741 3.762 20 0 BHADRN CCN(CCCF)c1ccccc1Cl ZINC000441352572 386467680 /nfs/dbraw/zinc/46/76/80/386467680.db2.gz ULIMHFSVAXSSBE-UHFFFAOYSA-N 0 0 215.699 3.526 20 0 BHADRN CCc1nc(-c2ccc3c(c2)CCO3)sc1C ZINC000441359446 387750812 /nfs/dbraw/zinc/75/08/12/387750812.db2.gz CAVPTFSJPNGANX-UHFFFAOYSA-N 0 0 245.347 3.616 20 0 BHADRN CCOCCCN(CC)c1ccccc1Cl ZINC000441373965 387754628 /nfs/dbraw/zinc/75/46/28/387754628.db2.gz DBFBPNVVRJEDPJ-UHFFFAOYSA-N 0 0 241.762 3.593 20 0 BHADRN Cc1ccc2c(c1)N(CCC1CC1)CCC2 ZINC000441405742 201552019 /nfs/dbraw/zinc/55/20/19/201552019.db2.gz WDXCHNGTNDWQGL-UHFFFAOYSA-N 0 0 215.340 3.548 20 0 BHADRN CCCC(=O)N(CC)c1ccc(Cl)c(F)c1 ZINC000441410034 387756368 /nfs/dbraw/zinc/75/63/68/387756368.db2.gz PQTKTYVHSJLNOS-UHFFFAOYSA-N 0 0 243.709 3.632 20 0 BHADRN COc1cccc(C[NH+]2CCC(C(C)C)CC2)c1 ZINC000441430678 387759139 /nfs/dbraw/zinc/75/91/39/387759139.db2.gz BLGPOIXSRZGEIJ-UHFFFAOYSA-N 0 0 247.382 3.563 20 0 BHADRN CC(C)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000441432816 387760595 /nfs/dbraw/zinc/76/05/95/387760595.db2.gz HDLGPAKBEAJCCA-UHFFFAOYSA-N 0 0 235.346 3.694 20 0 BHADRN CCC(C)(C)CCN(C[C@H](C)O)c1ccccc1 ZINC000441455298 387762512 /nfs/dbraw/zinc/76/25/12/387762512.db2.gz YKCJILTYMVZFKQ-AWEZNQCLSA-N 0 0 249.398 3.700 20 0 BHADRN CCC(C)(C)CCN(C[C@@H](C)O)c1ccccc1 ZINC000441455303 387762262 /nfs/dbraw/zinc/76/22/62/387762262.db2.gz YKCJILTYMVZFKQ-CQSZACIVSA-N 0 0 249.398 3.700 20 0 BHADRN CCCC[C@@H](CCC)CNC(=O)N(CC)CC ZINC000441534013 387767095 /nfs/dbraw/zinc/76/70/95/387767095.db2.gz KWTQGISLTPRSBB-CYBMUJFWSA-N 0 0 242.407 3.644 20 0 BHADRN CCCC[C@H](CCC)CNC(=O)N(CC)CC ZINC000441534015 387766167 /nfs/dbraw/zinc/76/61/67/387766167.db2.gz KWTQGISLTPRSBB-ZDUSSCGKSA-N 0 0 242.407 3.644 20 0 BHADRN CCCN(CCC(C)(C)CC)CC(F)F ZINC000441546363 387769846 /nfs/dbraw/zinc/76/98/46/387769846.db2.gz UVRUNYDHNGVBBR-UHFFFAOYSA-N 0 0 221.335 3.790 20 0 BHADRN CC(C)(C)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000441580173 387768807 /nfs/dbraw/zinc/76/88/07/387768807.db2.gz GIPFINJEHZXGBU-UHFFFAOYSA-N 0 0 247.672 3.603 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)C1=C(C)CCC1 ZINC000441585302 201558368 /nfs/dbraw/zinc/55/83/68/201558368.db2.gz LNINZOZVBVDODG-AWEZNQCLSA-N 0 0 249.398 3.914 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)C1=C(C)CCC1 ZINC000441585304 387768781 /nfs/dbraw/zinc/76/87/81/387768781.db2.gz LNINZOZVBVDODG-CQSZACIVSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)CC(=O)Nc1cc(Cl)cc(F)c1F ZINC000441588151 387771110 /nfs/dbraw/zinc/77/11/10/387771110.db2.gz IKTXPZYGRYEBOA-UHFFFAOYSA-N 0 0 247.672 3.603 20 0 BHADRN CCCCC(=O)Nc1cc(Cl)cc(F)c1F ZINC000441590559 387771555 /nfs/dbraw/zinc/77/15/55/387771555.db2.gz NEKVMLUFHPUCHT-UHFFFAOYSA-N 0 0 247.672 3.747 20 0 BHADRN CC[C@H](C)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000441594659 387771049 /nfs/dbraw/zinc/77/10/49/387771049.db2.gz DWXNSJSKPFLAJC-LURJTMIESA-N 0 0 247.672 3.603 20 0 BHADRN CC[C@@H](C)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000441594661 387771408 /nfs/dbraw/zinc/77/14/08/387771408.db2.gz DWXNSJSKPFLAJC-ZCFIWIBFSA-N 0 0 247.672 3.603 20 0 BHADRN CC[C@@H](F)COc1ccc(OC(C)C)cc1 ZINC000441818084 387778189 /nfs/dbraw/zinc/77/81/89/387778189.db2.gz FMXHRHDXDLIEAX-LLVKDONJSA-N 0 0 226.291 3.601 20 0 BHADRN CC[C@H](F)COc1ccc(OC(C)C)cc1 ZINC000441818088 387778012 /nfs/dbraw/zinc/77/80/12/387778012.db2.gz FMXHRHDXDLIEAX-NSHDSACASA-N 0 0 226.291 3.601 20 0 BHADRN CC[C@@H](F)COc1cc(C)nc2ccccc21 ZINC000441818115 206081085 /nfs/dbraw/zinc/08/10/85/206081085.db2.gz HJCMZPDKIFODNA-LLVKDONJSA-N 0 0 233.286 3.670 20 0 BHADRN CC[C@H](F)COc1cc(C)nc2ccccc21 ZINC000441818116 387777648 /nfs/dbraw/zinc/77/76/48/387777648.db2.gz HJCMZPDKIFODNA-NSHDSACASA-N 0 0 233.286 3.670 20 0 BHADRN CCSc1ccccc1OC[C@@H](F)CC ZINC000441819286 201563473 /nfs/dbraw/zinc/56/34/73/201563473.db2.gz IHMZEEKRVQXNKY-JTQLQIEISA-N 0 0 228.332 3.926 20 0 BHADRN CCSc1ccccc1OC[C@H](F)CC ZINC000441819287 387779531 /nfs/dbraw/zinc/77/95/31/387779531.db2.gz IHMZEEKRVQXNKY-SNVBAGLBSA-N 0 0 228.332 3.926 20 0 BHADRN CC[C@@H](F)COc1cccc(C)c1Cl ZINC000441819503 487490234 /nfs/dbraw/zinc/49/02/34/487490234.db2.gz HIVRKYMLSRIOFL-SECBINFHSA-N 0 0 216.683 3.775 20 0 BHADRN CC[C@H](F)COc1cccc(C)c1Cl ZINC000441819504 487490293 /nfs/dbraw/zinc/49/02/93/487490293.db2.gz HIVRKYMLSRIOFL-VIFPVBQESA-N 0 0 216.683 3.775 20 0 BHADRN CC[C@@H](F)COc1cccc(OC(C)C)c1 ZINC000441820112 201562924 /nfs/dbraw/zinc/56/29/24/201562924.db2.gz JNNFFBVEMREFPY-LLVKDONJSA-N 0 0 226.291 3.601 20 0 BHADRN CC[C@H](F)COc1cccc(OC(C)C)c1 ZINC000441820113 387780216 /nfs/dbraw/zinc/78/02/16/387780216.db2.gz JNNFFBVEMREFPY-NSHDSACASA-N 0 0 226.291 3.601 20 0 BHADRN CC[C@H](F)COc1ccc(F)cc1OC(C)C ZINC000441821746 387780343 /nfs/dbraw/zinc/78/03/43/387780343.db2.gz NBHNOCXHPVBZOJ-JTQLQIEISA-N 0 0 244.281 3.740 20 0 BHADRN CC[C@@H](F)COc1ccc(F)cc1OC(C)C ZINC000441821747 387778700 /nfs/dbraw/zinc/77/87/00/387778700.db2.gz NBHNOCXHPVBZOJ-SNVBAGLBSA-N 0 0 244.281 3.740 20 0 BHADRN CC[C@@H](F)COc1cccc2nc(C)ccc21 ZINC000441822046 387779037 /nfs/dbraw/zinc/77/90/37/387779037.db2.gz KCGNGPKUSBDYLB-LLVKDONJSA-N 0 0 233.286 3.670 20 0 BHADRN CC[C@H](F)COc1cccc2nc(C)ccc21 ZINC000441822049 387779865 /nfs/dbraw/zinc/77/98/65/387779865.db2.gz KCGNGPKUSBDYLB-NSHDSACASA-N 0 0 233.286 3.670 20 0 BHADRN CC[C@@H](F)COc1ccc(SC)cc1 ZINC000441823974 201562529 /nfs/dbraw/zinc/56/25/29/201562529.db2.gz MYWLCVDRURYLSW-SECBINFHSA-N 0 0 214.305 3.535 20 0 BHADRN CC[C@H](F)COc1ccc(SC)cc1 ZINC000441823975 387779781 /nfs/dbraw/zinc/77/97/81/387779781.db2.gz MYWLCVDRURYLSW-VIFPVBQESA-N 0 0 214.305 3.535 20 0 BHADRN CC[C@@H](F)COc1cccc2ccc(C)nc21 ZINC000441824081 387778961 /nfs/dbraw/zinc/77/89/61/387778961.db2.gz NLFOXXJLMVBITC-GFCCVEGCSA-N 0 0 233.286 3.670 20 0 BHADRN CC[C@H](F)COc1cccc2ccc(C)nc21 ZINC000441824084 387779952 /nfs/dbraw/zinc/77/99/52/387779952.db2.gz NLFOXXJLMVBITC-LBPRGKRZSA-N 0 0 233.286 3.670 20 0 BHADRN CC[C@@H](F)COc1ccc2[nH]c(C)cc2c1F ZINC000441824716 387778840 /nfs/dbraw/zinc/77/88/40/387778840.db2.gz TWQNQAFFCPGQQZ-SECBINFHSA-N 0 0 239.265 3.742 20 0 BHADRN CC[C@H](F)COc1ccc2[nH]c(C)cc2c1F ZINC000441824722 201562475 /nfs/dbraw/zinc/56/24/75/201562475.db2.gz TWQNQAFFCPGQQZ-VIFPVBQESA-N 0 0 239.265 3.742 20 0 BHADRN CC[C@@H](F)COc1c(C)cccc1Cl ZINC000441826004 387778985 /nfs/dbraw/zinc/77/89/85/387778985.db2.gz PYFILFARUAANGX-SECBINFHSA-N 0 0 216.683 3.775 20 0 BHADRN CC[C@H](F)COc1c(C)cccc1Cl ZINC000441826005 387778900 /nfs/dbraw/zinc/77/89/00/387778900.db2.gz PYFILFARUAANGX-VIFPVBQESA-N 0 0 216.683 3.775 20 0 BHADRN CC[C@@H](F)COc1ccc(C)cc1Cl ZINC000441826622 387779405 /nfs/dbraw/zinc/77/94/05/387779405.db2.gz RTOWKLZTGKOOTH-SECBINFHSA-N 0 0 216.683 3.775 20 0 BHADRN CC[C@H](F)COc1ccc(C)cc1Cl ZINC000441826625 387779845 /nfs/dbraw/zinc/77/98/45/387779845.db2.gz RTOWKLZTGKOOTH-VIFPVBQESA-N 0 0 216.683 3.775 20 0 BHADRN CCCOc1ccccc1OC[C@H](F)CC ZINC000441830470 387779273 /nfs/dbraw/zinc/77/92/73/387779273.db2.gz YQSUEFVBCAJECY-LLVKDONJSA-N 0 0 226.291 3.602 20 0 BHADRN CCCOc1ccccc1OC[C@@H](F)CC ZINC000441830471 201562685 /nfs/dbraw/zinc/56/26/85/201562685.db2.gz YQSUEFVBCAJECY-NSHDSACASA-N 0 0 226.291 3.602 20 0 BHADRN CC[C@@H](F)COc1ccc2[nH]c(C)c(C)c2c1 ZINC000441833012 387779159 /nfs/dbraw/zinc/77/91/59/387779159.db2.gz LFYORHPLXYLGJR-LLVKDONJSA-N 0 0 235.302 3.912 20 0 BHADRN CC[C@H](F)COc1ccc2[nH]c(C)c(C)c2c1 ZINC000441833014 201562834 /nfs/dbraw/zinc/56/28/34/201562834.db2.gz LFYORHPLXYLGJR-NSHDSACASA-N 0 0 235.302 3.912 20 0 BHADRN CC[C@@H](F)COc1ccc(OCC2CC2)cc1 ZINC000441835076 387781015 /nfs/dbraw/zinc/78/10/15/387781015.db2.gz AMHJYJLGWOUMII-GFCCVEGCSA-N 0 0 238.302 3.602 20 0 BHADRN CC[C@H](F)COc1ccc(OCC2CC2)cc1 ZINC000441835077 387781924 /nfs/dbraw/zinc/78/19/24/387781924.db2.gz AMHJYJLGWOUMII-LBPRGKRZSA-N 0 0 238.302 3.602 20 0 BHADRN CC[C@@H](F)COc1cnccc1-c1ccccc1 ZINC000441835207 201563983 /nfs/dbraw/zinc/56/39/83/201563983.db2.gz GNSIHCKSBAUAQR-CYBMUJFWSA-N 0 0 245.297 3.876 20 0 BHADRN CC[C@H](F)COc1cnccc1-c1ccccc1 ZINC000441835208 387781191 /nfs/dbraw/zinc/78/11/91/387781191.db2.gz GNSIHCKSBAUAQR-ZDUSSCGKSA-N 0 0 245.297 3.876 20 0 BHADRN C/C=C/c1ccc(OC[C@@H](F)CC)c(OC)c1 ZINC000441839695 387781107 /nfs/dbraw/zinc/78/11/07/387781107.db2.gz OMXFNSIJFLINMD-FUEXJSSKSA-N 0 0 238.302 3.855 20 0 BHADRN C/C=C/c1ccc(OC[C@H](F)CC)c(OC)c1 ZINC000441839696 387780773 /nfs/dbraw/zinc/78/07/73/387780773.db2.gz OMXFNSIJFLINMD-FVOPLDGLSA-N 0 0 238.302 3.855 20 0 BHADRN C/C=C\c1ccc(OC[C@@H](F)CC)c(OC)c1 ZINC000441839697 201563816 /nfs/dbraw/zinc/56/38/16/201563816.db2.gz OMXFNSIJFLINMD-RNZFLTOJSA-N 0 0 238.302 3.855 20 0 BHADRN C/C=C\c1ccc(OC[C@H](F)CC)c(OC)c1 ZINC000441839698 201564478 /nfs/dbraw/zinc/56/44/78/201564478.db2.gz OMXFNSIJFLINMD-TXNVCOODSA-N 0 0 238.302 3.855 20 0 BHADRN CC[C@@H](F)COc1ccc(-c2ccccc2)nc1 ZINC000441843608 387780560 /nfs/dbraw/zinc/78/05/60/387780560.db2.gz WFWNQDZGDFTCFC-CYBMUJFWSA-N 0 0 245.297 3.876 20 0 BHADRN CC[C@H](F)COc1ccc(-c2ccccc2)nc1 ZINC000441843612 387780734 /nfs/dbraw/zinc/78/07/34/387780734.db2.gz WFWNQDZGDFTCFC-ZDUSSCGKSA-N 0 0 245.297 3.876 20 0 BHADRN CC[C@@H](F)CNc1cc(-c2ncco2)ccc1C ZINC000442087496 201567674 /nfs/dbraw/zinc/56/76/74/201567674.db2.gz KDVVVOPDHPVVTB-GFCCVEGCSA-N 0 0 248.301 3.810 20 0 BHADRN CC[C@H](F)CNc1cc(-c2ncco2)ccc1C ZINC000442087497 387788106 /nfs/dbraw/zinc/78/81/06/387788106.db2.gz KDVVVOPDHPVVTB-LBPRGKRZSA-N 0 0 248.301 3.810 20 0 BHADRN CC[C@H](F)CNc1ccc(F)cc1OC(C)C ZINC000442089082 201567832 /nfs/dbraw/zinc/56/78/32/201567832.db2.gz LSYVUUFPWORXGX-JTQLQIEISA-N 0 0 243.297 3.773 20 0 BHADRN CC[C@@H](F)CNc1ccc(F)cc1OC(C)C ZINC000442089086 387788029 /nfs/dbraw/zinc/78/80/29/387788029.db2.gz LSYVUUFPWORXGX-SNVBAGLBSA-N 0 0 243.297 3.773 20 0 BHADRN CCOc1ccc(F)c(NC[C@H](F)CC)c1F ZINC000442091705 387788766 /nfs/dbraw/zinc/78/87/66/387788766.db2.gz OHYVXQSULIZYOE-MRVPVSSYSA-N 0 0 247.260 3.524 20 0 BHADRN CCOc1ccc(F)c(NC[C@@H](F)CC)c1F ZINC000442091707 201568013 /nfs/dbraw/zinc/56/80/13/201568013.db2.gz OHYVXQSULIZYOE-QMMMGPOBSA-N 0 0 247.260 3.524 20 0 BHADRN CC[C@@H](F)CNc1ccc(C(=O)C2CCC2)cc1 ZINC000442104100 201567956 /nfs/dbraw/zinc/56/79/56/201567956.db2.gz CDXIEEBOBVANKF-CYBMUJFWSA-N 0 0 249.329 3.829 20 0 BHADRN CC[C@H](F)CNc1ccc(C(=O)C2CCC2)cc1 ZINC000442104101 387788176 /nfs/dbraw/zinc/78/81/76/387788176.db2.gz CDXIEEBOBVANKF-ZDUSSCGKSA-N 0 0 249.329 3.829 20 0 BHADRN CC[C@H](F)CNc1cc(F)ccc1OC(C)C ZINC000442110535 387788544 /nfs/dbraw/zinc/78/85/44/387788544.db2.gz DJOHYKPCAOXVMR-JTQLQIEISA-N 0 0 243.297 3.773 20 0 BHADRN CC[C@@H](F)CNc1cc(F)ccc1OC(C)C ZINC000442110536 387788506 /nfs/dbraw/zinc/78/85/06/387788506.db2.gz DJOHYKPCAOXVMR-SNVBAGLBSA-N 0 0 243.297 3.773 20 0 BHADRN CNc1cc(C)ccc1OCc1ccccc1 ZINC000442111105 387787629 /nfs/dbraw/zinc/78/76/29/387787629.db2.gz FANADCCIADVZNA-UHFFFAOYSA-N 0 0 227.307 3.616 20 0 BHADRN CC[C@@H](F)CNc1c(C)cccc1OC(F)F ZINC000442111675 201566652 /nfs/dbraw/zinc/56/66/52/201566652.db2.gz GNSVBPKBWFPHBW-SECBINFHSA-N 0 0 247.260 3.756 20 0 BHADRN CC[C@H](F)CNc1c(C)cccc1OC(F)F ZINC000442111679 387787654 /nfs/dbraw/zinc/78/76/54/387787654.db2.gz GNSVBPKBWFPHBW-VIFPVBQESA-N 0 0 247.260 3.756 20 0 BHADRN CC[C@@H](F)CNc1ccccc1OCC1CC1 ZINC000442117887 387788664 /nfs/dbraw/zinc/78/86/64/387788664.db2.gz BXEPXULQEOSBAG-GFCCVEGCSA-N 0 0 237.318 3.635 20 0 BHADRN CC[C@H](F)CNc1ccccc1OCC1CC1 ZINC000442117891 201567988 /nfs/dbraw/zinc/56/79/88/201567988.db2.gz BXEPXULQEOSBAG-LBPRGKRZSA-N 0 0 237.318 3.635 20 0 BHADRN CC[C@H](F)CNc1cccc(CC(F)(F)F)c1 ZINC000442118184 387788074 /nfs/dbraw/zinc/78/80/74/387788074.db2.gz APYAMWQKGLFSQZ-JTQLQIEISA-N 0 0 249.251 3.951 20 0 BHADRN CC[C@@H](F)CNc1cccc(CC(F)(F)F)c1 ZINC000442118185 387788371 /nfs/dbraw/zinc/78/83/71/387788371.db2.gz APYAMWQKGLFSQZ-SNVBAGLBSA-N 0 0 249.251 3.951 20 0 BHADRN CC[C@H](F)CNc1ccc(CC(F)(F)F)cc1 ZINC000442134364 387789373 /nfs/dbraw/zinc/78/93/73/387789373.db2.gz MEFITDKLIUPYEY-JTQLQIEISA-N 0 0 249.251 3.951 20 0 BHADRN CC[C@@H](F)CNc1ccc(CC(F)(F)F)cc1 ZINC000442134365 387789561 /nfs/dbraw/zinc/78/95/61/387789561.db2.gz MEFITDKLIUPYEY-SNVBAGLBSA-N 0 0 249.251 3.951 20 0 BHADRN CC[C@H](F)CNc1ccccc1CC(F)(F)F ZINC000442137367 387790529 /nfs/dbraw/zinc/79/05/29/387790529.db2.gz OGDKNZYHTPJFFW-JTQLQIEISA-N 0 0 249.251 3.951 20 0 BHADRN CC[C@@H](F)CNc1ccccc1CC(F)(F)F ZINC000442137369 201567287 /nfs/dbraw/zinc/56/72/87/201567287.db2.gz OGDKNZYHTPJFFW-SNVBAGLBSA-N 0 0 249.251 3.951 20 0 BHADRN CC[C@@H](F)CNc1ccc(C)c(OC(F)F)c1 ZINC000442138714 387789792 /nfs/dbraw/zinc/78/97/92/387789792.db2.gz QFJFOQCVKRIXFL-SECBINFHSA-N 0 0 247.260 3.756 20 0 BHADRN CC[C@H](F)CNc1ccc(C)c(OC(F)F)c1 ZINC000442138716 387790030 /nfs/dbraw/zinc/79/00/30/387790030.db2.gz QFJFOQCVKRIXFL-VIFPVBQESA-N 0 0 247.260 3.756 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)C2(CC(C)C)CC2)o1 ZINC000442309944 387793996 /nfs/dbraw/zinc/79/39/96/387793996.db2.gz QYQSXPNISMGZAZ-GFCCVEGCSA-N 0 0 249.354 3.592 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)C2(CC(C)C)CC2)o1 ZINC000442309946 201571874 /nfs/dbraw/zinc/57/18/74/201571874.db2.gz QYQSXPNISMGZAZ-LBPRGKRZSA-N 0 0 249.354 3.592 20 0 BHADRN COC(=O)c1ccccc1Oc1cccc(C)c1 ZINC000442381140 387796581 /nfs/dbraw/zinc/79/65/81/387796581.db2.gz MNZWPHSOGFUAMM-UHFFFAOYSA-N 0 0 242.274 3.574 20 0 BHADRN Cc1cc(NC(=O)C2=CCC2)cc(C)c1Cl ZINC000442427981 201570774 /nfs/dbraw/zinc/57/07/74/201570774.db2.gz UKKIEFDGYRCZMZ-UHFFFAOYSA-N 0 0 235.714 3.616 20 0 BHADRN CC[C@@H](F)CSCc1cc(F)ccc1F ZINC000442536180 201572568 /nfs/dbraw/zinc/57/25/68/201572568.db2.gz BCUFOFMDENBWCG-SECBINFHSA-N 0 0 234.286 3.946 20 0 BHADRN CC[C@H](F)CSCc1cc(F)ccc1F ZINC000442536181 387801928 /nfs/dbraw/zinc/80/19/28/387801928.db2.gz BCUFOFMDENBWCG-VIFPVBQESA-N 0 0 234.286 3.946 20 0 BHADRN CC[C@H](F)CSCc1ccc(F)cc1 ZINC000442536188 387803232 /nfs/dbraw/zinc/80/32/32/387803232.db2.gz BERNCTOBXACQCZ-JTQLQIEISA-N 0 0 216.296 3.807 20 0 BHADRN CC[C@@H](F)CSCc1ccc(F)cc1 ZINC000442536189 387801881 /nfs/dbraw/zinc/80/18/81/387801881.db2.gz BERNCTOBXACQCZ-SNVBAGLBSA-N 0 0 216.296 3.807 20 0 BHADRN CC[C@@H](F)CSCc1ccc(F)cc1F ZINC000442536764 386239468 /nfs/dbraw/zinc/23/94/68/386239468.db2.gz CKTKPDGYFAYHRP-SECBINFHSA-N 0 0 234.286 3.946 20 0 BHADRN CC[C@H](F)CSCc1ccc(F)cc1F ZINC000442536765 386237212 /nfs/dbraw/zinc/23/72/12/386237212.db2.gz CKTKPDGYFAYHRP-VIFPVBQESA-N 0 0 234.286 3.946 20 0 BHADRN CCc1nc(CSC[C@H](F)CC)cs1 ZINC000442537166 387801950 /nfs/dbraw/zinc/80/19/50/387801950.db2.gz CUSWGNNTOJPIPM-MRVPVSSYSA-N 0 0 233.377 3.687 20 0 BHADRN CCc1nc(CSC[C@@H](F)CC)cs1 ZINC000442537167 387801959 /nfs/dbraw/zinc/80/19/59/387801959.db2.gz CUSWGNNTOJPIPM-QMMMGPOBSA-N 0 0 233.377 3.687 20 0 BHADRN CCc1noc(C)c1CSC[C@H](F)CC ZINC000442538182 201572524 /nfs/dbraw/zinc/57/25/24/201572524.db2.gz FIFADIKPAGEIDN-SECBINFHSA-N 0 0 231.336 3.527 20 0 BHADRN CCc1noc(C)c1CSC[C@@H](F)CC ZINC000442538183 387801822 /nfs/dbraw/zinc/80/18/22/387801822.db2.gz FIFADIKPAGEIDN-VIFPVBQESA-N 0 0 231.336 3.527 20 0 BHADRN CC[C@@H](F)CSCCOc1cccc(C)c1 ZINC000442538481 387802315 /nfs/dbraw/zinc/80/23/15/387802315.db2.gz IUKYSYOKKHPAFC-GFCCVEGCSA-N 0 0 242.359 3.855 20 0 BHADRN CC[C@H](F)CSCCOc1cccc(C)c1 ZINC000442538485 387802762 /nfs/dbraw/zinc/80/27/62/387802762.db2.gz IUKYSYOKKHPAFC-LBPRGKRZSA-N 0 0 242.359 3.855 20 0 BHADRN CC[C@H](F)CS[C@H](C)c1nc(C(C)C)no1 ZINC000442538676 387802526 /nfs/dbraw/zinc/80/25/26/387802526.db2.gz FWKVMNDQXCLSGP-BDAKNGLRSA-N 0 0 246.351 3.735 20 0 BHADRN CC[C@@H](F)CS[C@@H](C)c1nc(C(C)C)no1 ZINC000442538677 387801987 /nfs/dbraw/zinc/80/19/87/387801987.db2.gz FWKVMNDQXCLSGP-DTWKUNHWSA-N 0 0 246.351 3.735 20 0 BHADRN CC[C@H](F)CS[C@@H](C)c1nc(C(C)C)no1 ZINC000442538678 387801870 /nfs/dbraw/zinc/80/18/70/387801870.db2.gz FWKVMNDQXCLSGP-IUCAKERBSA-N 0 0 246.351 3.735 20 0 BHADRN CC[C@@H](F)CS[C@H](C)c1nc(C(C)C)no1 ZINC000442538679 387802108 /nfs/dbraw/zinc/80/21/08/387802108.db2.gz FWKVMNDQXCLSGP-RKDXNWHRSA-N 0 0 246.351 3.735 20 0 BHADRN CC[C@H](F)CSCc1cccc(F)c1 ZINC000442538962 201572139 /nfs/dbraw/zinc/57/21/39/201572139.db2.gz JLVKBMPSYKUPMD-JTQLQIEISA-N 0 0 216.296 3.807 20 0 BHADRN CC[C@@H](F)CSCc1cccc(F)c1 ZINC000442538965 201573080 /nfs/dbraw/zinc/57/30/80/201573080.db2.gz JLVKBMPSYKUPMD-SNVBAGLBSA-N 0 0 216.296 3.807 20 0 BHADRN CC[C@@H](F)CSCCc1ccccc1F ZINC000442539770 387802807 /nfs/dbraw/zinc/80/28/07/387802807.db2.gz HZSFCHBIKNRJDJ-LLVKDONJSA-N 0 0 230.323 3.850 20 0 BHADRN CC[C@H](F)CSCCc1ccccc1F ZINC000442539775 201572832 /nfs/dbraw/zinc/57/28/32/201572832.db2.gz HZSFCHBIKNRJDJ-NSHDSACASA-N 0 0 230.323 3.850 20 0 BHADRN CC[C@H](F)CSCc1ccccc1F ZINC000442539888 387802183 /nfs/dbraw/zinc/80/21/83/387802183.db2.gz HUZZETSJIAMBCD-JTQLQIEISA-N 0 0 216.296 3.807 20 0 BHADRN CC[C@@H](F)CSCc1ccccc1F ZINC000442539890 387802628 /nfs/dbraw/zinc/80/26/28/387802628.db2.gz HUZZETSJIAMBCD-SNVBAGLBSA-N 0 0 216.296 3.807 20 0 BHADRN CC[C@@H](F)CSCc1ccc(F)c(F)c1 ZINC000442540026 201572829 /nfs/dbraw/zinc/57/28/29/201572829.db2.gz LDCPAYAOGQLXOV-SECBINFHSA-N 0 0 234.286 3.946 20 0 BHADRN CC[C@H](F)CSCc1ccc(F)c(F)c1 ZINC000442540027 387802775 /nfs/dbraw/zinc/80/27/75/387802775.db2.gz LDCPAYAOGQLXOV-VIFPVBQESA-N 0 0 234.286 3.946 20 0 BHADRN CC[C@H](F)CSCCOc1ccccc1F ZINC000442541693 387802748 /nfs/dbraw/zinc/80/27/48/387802748.db2.gz BRNZGQQPSHXDHY-JTQLQIEISA-N 0 0 246.322 3.686 20 0 BHADRN CC[C@@H](F)CSCCOc1ccccc1F ZINC000442541697 387802380 /nfs/dbraw/zinc/80/23/80/387802380.db2.gz BRNZGQQPSHXDHY-SNVBAGLBSA-N 0 0 246.322 3.686 20 0 BHADRN CC[C@@H](F)CSCCc1ccc(OC)cc1 ZINC000442542908 387802333 /nfs/dbraw/zinc/80/23/33/387802333.db2.gz DWEVXZRVOSXTKK-GFCCVEGCSA-N 0 0 242.359 3.719 20 0 BHADRN CC[C@H](F)CSCCc1ccc(OC)cc1 ZINC000442542911 387802768 /nfs/dbraw/zinc/80/27/68/387802768.db2.gz DWEVXZRVOSXTKK-LBPRGKRZSA-N 0 0 242.359 3.719 20 0 BHADRN CC[C@@H](F)CSCCCC1CCOCC1 ZINC000442543109 201572610 /nfs/dbraw/zinc/57/26/10/201572610.db2.gz FABIZFYNWSJZLF-GFCCVEGCSA-N 0 0 234.380 3.675 20 0 BHADRN CC[C@H](F)CSCCCC1CCOCC1 ZINC000442543111 387802173 /nfs/dbraw/zinc/80/21/73/387802173.db2.gz FABIZFYNWSJZLF-LBPRGKRZSA-N 0 0 234.380 3.675 20 0 BHADRN CC[C@H](F)CSCc1ccc(OC)c(F)c1 ZINC000442543746 387801591 /nfs/dbraw/zinc/80/15/91/387801591.db2.gz RCICIXKFGXXQIP-JTQLQIEISA-N 0 0 246.322 3.816 20 0 BHADRN CC[C@@H](F)CSCc1ccc(OC)c(F)c1 ZINC000442543749 387802783 /nfs/dbraw/zinc/80/27/83/387802783.db2.gz RCICIXKFGXXQIP-SNVBAGLBSA-N 0 0 246.322 3.816 20 0 BHADRN CC[C@H](F)CSCCOc1cccc(F)c1 ZINC000442544487 387803002 /nfs/dbraw/zinc/80/30/02/387803002.db2.gz SDCPZGOLUZRNJX-JTQLQIEISA-N 0 0 246.322 3.686 20 0 BHADRN CC[C@@H](F)CSCCOc1cccc(F)c1 ZINC000442544491 201573512 /nfs/dbraw/zinc/57/35/12/201573512.db2.gz SDCPZGOLUZRNJX-SNVBAGLBSA-N 0 0 246.322 3.686 20 0 BHADRN CC[C@@H](F)CSCCN(C)c1ccccc1 ZINC000442545622 387802447 /nfs/dbraw/zinc/80/24/47/387802447.db2.gz CLHYUJVLYBLURI-GFCCVEGCSA-N 0 0 241.375 3.604 20 0 BHADRN CC[C@H](F)CSCCN(C)c1ccccc1 ZINC000442545623 387802729 /nfs/dbraw/zinc/80/27/29/387802729.db2.gz CLHYUJVLYBLURI-LBPRGKRZSA-N 0 0 241.375 3.604 20 0 BHADRN CC[C@@H](F)CSCCCOc1ccccc1 ZINC000442546284 201573337 /nfs/dbraw/zinc/57/33/37/201573337.db2.gz CZEZCAQFKBXCKG-GFCCVEGCSA-N 0 0 242.359 3.937 20 0 BHADRN CC[C@H](F)CSCCCOc1ccccc1 ZINC000442546285 387804842 /nfs/dbraw/zinc/80/48/42/387804842.db2.gz CZEZCAQFKBXCKG-LBPRGKRZSA-N 0 0 242.359 3.937 20 0 BHADRN CC[C@@H](F)CSCCc1ccccc1 ZINC000442546400 191891082 /nfs/dbraw/zinc/89/10/82/191891082.db2.gz QRJRVUIDBMLWIR-GFCCVEGCSA-N 0 0 212.333 3.710 20 0 BHADRN CC[C@H](F)CSCCc1ccccc1 ZINC000442546404 386255093 /nfs/dbraw/zinc/25/50/93/386255093.db2.gz QRJRVUIDBMLWIR-LBPRGKRZSA-N 0 0 212.333 3.710 20 0 BHADRN CC[C@@H](F)CSCc1nc(C)c(C)s1 ZINC000442546672 191892059 /nfs/dbraw/zinc/89/20/59/191892059.db2.gz RDAJBWILXVLUEX-SECBINFHSA-N 0 0 233.377 3.741 20 0 BHADRN CC[C@H](F)CSCc1nc(C)c(C)s1 ZINC000442546677 386258337 /nfs/dbraw/zinc/25/83/37/386258337.db2.gz RDAJBWILXVLUEX-VIFPVBQESA-N 0 0 233.377 3.741 20 0 BHADRN CC[C@@H](F)CSCc1cc(F)cc(F)c1 ZINC000442546678 201572256 /nfs/dbraw/zinc/57/22/56/201572256.db2.gz WKYSXIGMVZRIQN-SECBINFHSA-N 0 0 234.286 3.946 20 0 BHADRN CC[C@H](F)CSCc1cc(F)cc(F)c1 ZINC000442546683 387803855 /nfs/dbraw/zinc/80/38/55/387803855.db2.gz WKYSXIGMVZRIQN-VIFPVBQESA-N 0 0 234.286 3.946 20 0 BHADRN CC[C@H](F)CSCCOc1ccc(F)cc1 ZINC000442546735 386257907 /nfs/dbraw/zinc/25/79/07/386257907.db2.gz TZXICFKIDHJAKT-JTQLQIEISA-N 0 0 246.322 3.686 20 0 BHADRN CC[C@@H](F)CSCCOc1ccc(F)cc1 ZINC000442546740 386258390 /nfs/dbraw/zinc/25/83/90/386258390.db2.gz TZXICFKIDHJAKT-SNVBAGLBSA-N 0 0 246.322 3.686 20 0 BHADRN CC[C@@H](F)CSCc1nc2ccccc2[nH]1 ZINC000442548523 387804730 /nfs/dbraw/zinc/80/47/30/387804730.db2.gz ATLQKNDLOAMGON-SECBINFHSA-N 0 0 238.331 3.544 20 0 BHADRN CC[C@H](F)CSCc1nc2ccccc2[nH]1 ZINC000442548524 387804671 /nfs/dbraw/zinc/80/46/71/387804671.db2.gz ATLQKNDLOAMGON-VIFPVBQESA-N 0 0 238.331 3.544 20 0 BHADRN CC[C@@H](F)CSCc1cccc(COC)c1 ZINC000442548565 387804401 /nfs/dbraw/zinc/80/44/01/387804401.db2.gz NFLCPVLRFAOKNS-CYBMUJFWSA-N 0 0 242.359 3.814 20 0 BHADRN CC[C@H](F)CSCc1cccc(COC)c1 ZINC000442548566 387804311 /nfs/dbraw/zinc/80/43/11/387804311.db2.gz NFLCPVLRFAOKNS-ZDUSSCGKSA-N 0 0 242.359 3.814 20 0 BHADRN CC[C@@H](F)CSCc1sc(C)nc1C ZINC000442548747 387804295 /nfs/dbraw/zinc/80/42/95/387804295.db2.gz NZMBSLAITWHKFQ-SECBINFHSA-N 0 0 233.377 3.741 20 0 BHADRN CC[C@@H](F)CSCc1nc(C)sc1C ZINC000442548754 387804006 /nfs/dbraw/zinc/80/40/06/387804006.db2.gz HDAJHQKXYNHYCQ-SECBINFHSA-N 0 0 233.377 3.741 20 0 BHADRN CC[C@H](F)CSCc1nc(C)sc1C ZINC000442548755 201572725 /nfs/dbraw/zinc/57/27/25/201572725.db2.gz HDAJHQKXYNHYCQ-VIFPVBQESA-N 0 0 233.377 3.741 20 0 BHADRN CC[C@H](F)CSCc1sc(C)nc1C ZINC000442549487 201572808 /nfs/dbraw/zinc/57/28/08/201572808.db2.gz NZMBSLAITWHKFQ-VIFPVBQESA-N 0 0 233.377 3.741 20 0 BHADRN CC[C@H](F)CSCCc1ccc(F)c(F)c1 ZINC000442549514 387804971 /nfs/dbraw/zinc/80/49/71/387804971.db2.gz OFVHTUODKJNVFE-JTQLQIEISA-N 0 0 248.313 3.989 20 0 BHADRN CC[C@@H](F)CSCCc1ccc(F)c(F)c1 ZINC000442549517 201572432 /nfs/dbraw/zinc/57/24/32/201572432.db2.gz OFVHTUODKJNVFE-SNVBAGLBSA-N 0 0 248.313 3.989 20 0 BHADRN CC[C@H](F)CS[C@H](C)c1ncc(C)o1 ZINC000442551119 387804145 /nfs/dbraw/zinc/80/41/45/387804145.db2.gz CBJASNDDQDIPHS-BDAKNGLRSA-N 0 0 217.309 3.525 20 0 BHADRN CC[C@@H](F)CS[C@@H](C)c1ncc(C)o1 ZINC000442551122 387804207 /nfs/dbraw/zinc/80/42/07/387804207.db2.gz CBJASNDDQDIPHS-DTWKUNHWSA-N 0 0 217.309 3.525 20 0 BHADRN CC[C@H](F)CS[C@@H](C)c1ncc(C)o1 ZINC000442551123 387803745 /nfs/dbraw/zinc/80/37/45/387803745.db2.gz CBJASNDDQDIPHS-IUCAKERBSA-N 0 0 217.309 3.525 20 0 BHADRN CC[C@@H](F)CS[C@H](C)c1ncc(C)o1 ZINC000442551126 201574360 /nfs/dbraw/zinc/57/43/60/201574360.db2.gz CBJASNDDQDIPHS-RKDXNWHRSA-N 0 0 217.309 3.525 20 0 BHADRN CC[C@H](F)CSCCc1cccc(F)c1F ZINC000442553197 387803959 /nfs/dbraw/zinc/80/39/59/387803959.db2.gz GSYDNMUVHGJBNO-JTQLQIEISA-N 0 0 248.313 3.989 20 0 BHADRN CC[C@@H](F)CSCCc1cccc(F)c1F ZINC000442553199 387804183 /nfs/dbraw/zinc/80/41/83/387804183.db2.gz GSYDNMUVHGJBNO-SNVBAGLBSA-N 0 0 248.313 3.989 20 0 BHADRN CC[C@@H](F)CSCc1ncc(C(C)(C)C)o1 ZINC000442555513 387803832 /nfs/dbraw/zinc/80/38/32/387803832.db2.gz ICGBEDJHRNUDLM-SECBINFHSA-N 0 0 245.363 3.953 20 0 BHADRN CC[C@H](F)CSCc1ncc(C(C)(C)C)o1 ZINC000442555515 387804614 /nfs/dbraw/zinc/80/46/14/387804614.db2.gz ICGBEDJHRNUDLM-VIFPVBQESA-N 0 0 245.363 3.953 20 0 BHADRN CC[C@@H](F)CSCc1cccc(F)c1F ZINC000442562872 201574268 /nfs/dbraw/zinc/57/42/68/201574268.db2.gz YRFNKZYHSYNZNX-SECBINFHSA-N 0 0 234.286 3.946 20 0 BHADRN CC[C@H](F)CSCc1cccc(F)c1F ZINC000442562873 387806248 /nfs/dbraw/zinc/80/62/48/387806248.db2.gz YRFNKZYHSYNZNX-VIFPVBQESA-N 0 0 234.286 3.946 20 0 BHADRN Cc1cncc(C[N@H+]2CCC[C@@H](CC(C)C)C2)c1 ZINC000442672317 386437702 /nfs/dbraw/zinc/43/77/02/386437702.db2.gz NOOFUOJIFIOZQP-HNNXBMFYSA-N 0 0 246.398 3.648 20 0 BHADRN Cc1cncc(C[N@H+]2CCC[C@H](CC(C)C)C2)c1 ZINC000442672319 386436828 /nfs/dbraw/zinc/43/68/28/386436828.db2.gz NOOFUOJIFIOZQP-OAHLLOKOSA-N 0 0 246.398 3.648 20 0 BHADRN CCC[C@@]1(C)CCC[N@H+](Cc2cncc(C)c2)C1 ZINC000442676514 387821537 /nfs/dbraw/zinc/82/15/37/387821537.db2.gz LIEXGPRHEJRCOH-INIZCTEOSA-N 0 0 246.398 3.792 20 0 BHADRN CCC[C@]1(C)CCC[N@H+](Cc2cncc(C)c2)C1 ZINC000442676515 387821830 /nfs/dbraw/zinc/82/18/30/387821830.db2.gz LIEXGPRHEJRCOH-MRXNPFEDSA-N 0 0 246.398 3.792 20 0 BHADRN CCN(Cc1cncc(C)c1)c1ccccc1C ZINC000442682121 387823961 /nfs/dbraw/zinc/82/39/61/387823961.db2.gz PYGBQJOHYFVWQY-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN Cc1cncc(CN(C)c2cccc(C)c2C)c1 ZINC000442682369 191907801 /nfs/dbraw/zinc/90/78/01/191907801.db2.gz OUPDPGZPJWPRMW-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN CCN(Cc1cncc(C)c1)c1cccc(C)c1 ZINC000442687070 201591212 /nfs/dbraw/zinc/59/12/12/201591212.db2.gz XLUFPAYKTYGANY-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN Cc1ccc(C)c(N(C)Cc2cncc(C)c2)c1 ZINC000442687555 387823472 /nfs/dbraw/zinc/82/34/72/387823472.db2.gz YLPABWCPCIPSMH-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1cncc(CN(C)c2cc(C)cc(C)c2)c1 ZINC000442687828 386476584 /nfs/dbraw/zinc/47/65/84/386476584.db2.gz YXBQSLVKNFRDQX-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN CCN(Cc1cncc(C)c1)c1ccccc1F ZINC000442688752 201591047 /nfs/dbraw/zinc/59/10/47/201591047.db2.gz MEIADPCWMRYTHN-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCCN(C)C(=O)NCC[C@@H](C)CC(C)(C)C ZINC000442780208 387838507 /nfs/dbraw/zinc/83/85/07/387838507.db2.gz MLKVDJBJGKXMHI-GFCCVEGCSA-N 0 0 242.407 3.500 20 0 BHADRN CCCN(C)C(=O)NCC[C@H](C)CC(C)(C)C ZINC000442780209 387838502 /nfs/dbraw/zinc/83/85/02/387838502.db2.gz MLKVDJBJGKXMHI-LBPRGKRZSA-N 0 0 242.407 3.500 20 0 BHADRN c1ccc(N[C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442783570 387838938 /nfs/dbraw/zinc/83/89/38/387838938.db2.gz UITJPHGXHPCSMH-CYBMUJFWSA-N 0 0 248.329 3.747 20 0 BHADRN c1ccc(N[C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442783571 387839142 /nfs/dbraw/zinc/83/91/42/387839142.db2.gz UITJPHGXHPCSMH-ZDUSSCGKSA-N 0 0 248.329 3.747 20 0 BHADRN CCN(CC)C(=O)NCC[C@@H](C)CC(C)(C)C ZINC000442793731 387841896 /nfs/dbraw/zinc/84/18/96/387841896.db2.gz ONHBDSONNMXYSC-GFCCVEGCSA-N 0 0 242.407 3.500 20 0 BHADRN CCN(CC)C(=O)NCC[C@H](C)CC(C)(C)C ZINC000442793732 387841891 /nfs/dbraw/zinc/84/18/91/387841891.db2.gz ONHBDSONNMXYSC-LBPRGKRZSA-N 0 0 242.407 3.500 20 0 BHADRN CCCOc1ccc(F)c(C(F)(F)F)c1 ZINC000442833832 387848362 /nfs/dbraw/zinc/84/83/62/387848362.db2.gz IPLYYJDJLZNCNL-UHFFFAOYSA-N 0 0 222.181 3.633 20 0 BHADRN Fc1ccc(OCC2CC2)cc1C(F)(F)F ZINC000442834287 387847999 /nfs/dbraw/zinc/84/79/99/387847999.db2.gz JLUBVQZIJHEVAW-UHFFFAOYSA-N 0 0 234.192 3.633 20 0 BHADRN Cc1ccc(OCCC2(O)CC2)c(C(C)(C)C)c1 ZINC000442843790 192995235 /nfs/dbraw/zinc/99/52/35/192995235.db2.gz UKAFWZJUBLVMOO-UHFFFAOYSA-N 0 0 248.366 3.586 20 0 BHADRN Cc1nc(CNc2ccc3ccoc3c2)cs1 ZINC000442857330 192997333 /nfs/dbraw/zinc/99/73/33/192997333.db2.gz MWZZMSMYRQNBAU-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN Cc1nc(CNc2ccc3ccoc3c2)oc1C ZINC000442858728 387850718 /nfs/dbraw/zinc/85/07/18/387850718.db2.gz IARWEDXBTYTWMM-UHFFFAOYSA-N 0 0 242.278 3.650 20 0 BHADRN Cc1csc(CNc2ccc3ccoc3c2)n1 ZINC000442860761 398293669 /nfs/dbraw/zinc/29/36/69/398293669.db2.gz COVYMYSWOCFIRZ-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN Cc1ncc(CNc2ccc3ccoc3c2)s1 ZINC000442870642 387853561 /nfs/dbraw/zinc/85/35/61/387853561.db2.gz GMVDDDBOQKMENV-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN Cc1cnc(CNc2ccc3ccoc3c2)s1 ZINC000442877004 192998585 /nfs/dbraw/zinc/99/85/85/192998585.db2.gz QKYLTLVGAKMFSD-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN Cc1cccc(NC2CCC(C(F)F)CC2)n1 ZINC000442888691 193000185 /nfs/dbraw/zinc/00/01/85/193000185.db2.gz HCCSEDKHLZRMER-UHFFFAOYSA-N 0 0 240.297 3.626 20 0 BHADRN CC[C@H](c1ccccc1)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000442892210 193001327 /nfs/dbraw/zinc/00/13/27/193001327.db2.gz UTASWJIVBACFIC-CVEARBPZSA-N 0 0 247.382 3.639 20 0 BHADRN CC[C@@H](c1ccccc1)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000442892212 193001334 /nfs/dbraw/zinc/00/13/34/193001334.db2.gz UTASWJIVBACFIC-HOTGVXAUSA-N 0 0 247.382 3.639 20 0 BHADRN CC[C@H](c1ccccc1)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000442892214 193000537 /nfs/dbraw/zinc/00/05/37/193000537.db2.gz UTASWJIVBACFIC-HZPDHXFCSA-N 0 0 247.382 3.639 20 0 BHADRN CC[C@@H](c1ccccc1)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000442892216 193000418 /nfs/dbraw/zinc/00/04/18/193000418.db2.gz UTASWJIVBACFIC-JKSUJKDBSA-N 0 0 247.382 3.639 20 0 BHADRN CCCCCSCc1cncc(C)c1 ZINC000442894342 193001656 /nfs/dbraw/zinc/00/16/56/193001656.db2.gz BJHIMEYBLDFURZ-UHFFFAOYSA-N 0 0 209.358 3.813 20 0 BHADRN CC(C)c1ccc(SCCC2(O)CC2)cc1 ZINC000442894445 193000607 /nfs/dbraw/zinc/00/06/07/193000607.db2.gz BXNSQRLAFXPXLQ-UHFFFAOYSA-N 0 0 236.380 3.817 20 0 BHADRN C[C@H](SCCC1(O)CC1)c1ccccc1F ZINC000442896197 193003028 /nfs/dbraw/zinc/00/30/28/193003028.db2.gz BPNJXPLJSMEADE-JTQLQIEISA-N 0 0 240.343 3.535 20 0 BHADRN C[C@@H](SCCC1(O)CC1)c1ccccc1F ZINC000442896202 193003157 /nfs/dbraw/zinc/00/31/57/193003157.db2.gz BPNJXPLJSMEADE-SNVBAGLBSA-N 0 0 240.343 3.535 20 0 BHADRN CCCC(CCC)SCCC1(O)CC1 ZINC000442896337 193001847 /nfs/dbraw/zinc/00/18/47/193001847.db2.gz CHRGPPJYDHNABE-UHFFFAOYSA-N 0 0 216.390 3.603 20 0 BHADRN C[C@H](SCCC1(O)CC1)c1ccc(F)cc1 ZINC000442901725 193002557 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CCc1cccc(NC(=O)N[C@H]2CC[C@@H](C)C2)c1 ZINC000444133832 191111520 /nfs/dbraw/zinc/11/15/20/191111520.db2.gz ASSMEBJYVZGKGL-RISCZKNCSA-N 0 0 246.354 3.559 20 0 BHADRN CCc1cccc(NC(=O)N[C@@H]2CC[C@H](C)C2)c1 ZINC000444133833 191111670 /nfs/dbraw/zinc/11/16/70/191111670.db2.gz ASSMEBJYVZGKGL-SMDDNHRTSA-N 0 0 246.354 3.559 20 0 BHADRN Cc1ccc(C)c(NC(=O)N[C@H]2CC[C@H](C)C2)c1 ZINC000444135315 193036647 /nfs/dbraw/zinc/03/66/47/193036647.db2.gz HCMVOVRJYZJDKX-GWCFXTLKSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1ccc(C)c(NC(=O)N[C@@H]2CC[C@H](C)C2)c1 ZINC000444135316 193036095 /nfs/dbraw/zinc/03/60/95/193036095.db2.gz HCMVOVRJYZJDKX-GXFFZTMASA-N 0 0 246.354 3.614 20 0 BHADRN Cc1ccc(C)c(NC(=O)N[C@H]2CC[C@@H](C)C2)c1 ZINC000444135317 193036377 /nfs/dbraw/zinc/03/63/77/193036377.db2.gz HCMVOVRJYZJDKX-MFKMUULPSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1ccc(C)c(NC(=O)N[C@@H]2CC[C@@H](C)C2)c1 ZINC000444135318 191111848 /nfs/dbraw/zinc/11/18/48/191111848.db2.gz HCMVOVRJYZJDKX-ZWNOBZJWSA-N 0 0 246.354 3.614 20 0 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193048490 /nfs/dbraw/zinc/04/84/90/193048490.db2.gz JGWVPFLXAXTQQI-UHFFFAOYSA-N 0 0 247.382 3.954 20 0 BHADRN CCCN(C(=O)c1ccc(C)cc1C)C(C)(C)C ZINC000444475799 193047581 /nfs/dbraw/zinc/04/75/81/193047581.db2.gz MFFIKGYTLKNIDD-UHFFFAOYSA-N 0 0 247.382 3.954 20 0 BHADRN CCCN(C(=O)c1ccc(CC)cc1)C(C)(C)C ZINC000444475834 193048080 /nfs/dbraw/zinc/04/80/80/193048080.db2.gz MHGQHRARRIFKRA-UHFFFAOYSA-N 0 0 247.382 3.900 20 0 BHADRN CCCN(C(=O)CCC1CCCC1)C(C)(C)C ZINC000444475885 193048086 /nfs/dbraw/zinc/04/80/86/193048086.db2.gz MNJFUBJTSGYJFM-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CCCN(C(=O)c1ccc(C)cc1)C(C)(C)C ZINC000444476797 193047882 /nfs/dbraw/zinc/04/78/82/193047882.db2.gz HDDGBYCKIVYLIZ-UHFFFAOYSA-N 0 0 233.355 3.646 20 0 BHADRN CCCN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C ZINC000444476851 193048463 /nfs/dbraw/zinc/04/84/63/193048463.db2.gz NLTKVXPQGRMACN-UHFFFAOYSA-N 0 0 247.382 3.954 20 0 BHADRN CCCN(C(=O)C1CCCCC1)C(C)(C)C ZINC000444478774 193047944 /nfs/dbraw/zinc/04/79/44/193047944.db2.gz 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C/C=C(/C)c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000445212710 384292333 /nfs/dbraw/zinc/29/23/33/384292333.db2.gz RLWCGVIIRZNLFT-HEMQCFABSA-N 0 0 220.316 3.787 20 0 BHADRN C/C=C(\C)c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000445212711 384292158 /nfs/dbraw/zinc/29/21/58/384292158.db2.gz RLWCGVIIRZNLFT-YWFSICMQSA-N 0 0 220.316 3.787 20 0 BHADRN C/C=C(\C)c1nc(C2CCC(C)CC2)no1 ZINC000445213077 384293160 /nfs/dbraw/zinc/29/31/60/384293160.db2.gz OKPUWQDNJOBVMU-ONNFQVAWSA-N 0 0 220.316 3.787 20 0 BHADRN C/C=C(/C)c1nc(C2CCC(C)CC2)no1 ZINC000445213080 384292912 /nfs/dbraw/zinc/29/29/12/384292912.db2.gz OKPUWQDNJOBVMU-WMZJFQQLSA-N 0 0 220.316 3.787 20 0 BHADRN C/C=C(/C)c1nc(-c2ccccc2OCC)no1 ZINC000445216191 384363849 /nfs/dbraw/zinc/36/38/49/384363849.db2.gz XEJSIWQTTGAKFQ-WMZJFQQLSA-N 0 0 244.294 3.559 20 0 BHADRN CC1CCC(c2noc(Cc3ccoc3)n2)CC1 ZINC000445218459 200680771 /nfs/dbraw/zinc/68/07/71/200680771.db2.gz YIWLXNRPPYBGJU-UHFFFAOYSA-N 0 0 246.310 3.547 20 0 BHADRN CC(C)(C)Cc1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000445227023 256624130 /nfs/dbraw/zinc/62/41/30/256624130.db2.gz FLJCTLBDTXHHNE-IAZYJMLFSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@H](c1noc(-c2cccc(O)c2)n1)C(C)(C)C ZINC000445227840 323119699 /nfs/dbraw/zinc/11/96/99/323119699.db2.gz IZYFIROQZCMVHD-SECBINFHSA-N 0 0 246.310 3.592 20 0 BHADRN C[C@@H](c1noc(-c2cccc(O)c2)n1)C(C)(C)C ZINC000445227841 323119770 /nfs/dbraw/zinc/11/97/70/323119770.db2.gz IZYFIROQZCMVHD-VIFPVBQESA-N 0 0 246.310 3.592 20 0 BHADRN C/C=C(\C)c1nc(-c2ccc(F)cc2C)no1 ZINC000445229042 386616822 /nfs/dbraw/zinc/61/68/22/386616822.db2.gz OGWZFVSECZHTON-XBXARRHUSA-N 0 0 232.258 3.607 20 0 BHADRN C/C=C(/C)c1nc(-c2ccc(F)cc2C)no1 ZINC000445229043 386615085 /nfs/dbraw/zinc/61/50/85/386615085.db2.gz OGWZFVSECZHTON-YWEYNIOJSA-N 0 0 232.258 3.607 20 0 BHADRN CCC(CC)c1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000445229336 386622840 /nfs/dbraw/zinc/62/28/40/386622840.db2.gz STINWOFUJLMKGH-GDNZZTSVSA-N 0 0 234.343 3.877 20 0 BHADRN 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20 0 BHADRN CC[C@H](C)c1csc(N2CCC[C@H](C)C2)n1 ZINC000445651437 387952877 /nfs/dbraw/zinc/95/28/77/387952877.db2.gz CMTFAWJXENHMAC-QWRGUYRKSA-N 0 0 238.400 3.893 20 0 BHADRN CC[C@@H](C)c1csc(N2CCC[C@H](C)C2)n1 ZINC000445651438 387951724 /nfs/dbraw/zinc/95/17/24/387951724.db2.gz CMTFAWJXENHMAC-WDEREUQCSA-N 0 0 238.400 3.893 20 0 BHADRN CC[C@@H](C)c1csc(Nc2ccccn2)n1 ZINC000445651614 387956423 /nfs/dbraw/zinc/95/64/23/387956423.db2.gz UISYDOUDBUOYMS-SECBINFHSA-N 0 0 233.340 3.795 20 0 BHADRN CC[C@H](C)c1csc(Nc2ccccn2)n1 ZINC000445651615 201647615 /nfs/dbraw/zinc/64/76/15/201647615.db2.gz UISYDOUDBUOYMS-VIFPVBQESA-N 0 0 233.340 3.795 20 0 BHADRN CC[C@@H](C)c1nc(-c2cc3ccccc3o2)no1 ZINC000445651961 387956043 /nfs/dbraw/zinc/95/60/43/387956043.db2.gz ZFTRYUQORRISHR-SECBINFHSA-N 0 0 242.278 3.996 20 0 BHADRN CC[C@H](C)c1nc(-c2cc3ccccc3o2)no1 ZINC000445651962 387956882 /nfs/dbraw/zinc/95/68/82/387956882.db2.gz ZFTRYUQORRISHR-VIFPVBQESA-N 0 0 242.278 3.996 20 0 BHADRN CC[C@@H](C)c1csc(N2CCC(C)CC2)n1 ZINC000445653072 387955540 /nfs/dbraw/zinc/95/55/40/387955540.db2.gz SSXMJJDXPYALRJ-LLVKDONJSA-N 0 0 238.400 3.893 20 0 BHADRN CC[C@H](C)c1csc(N2CCC(C)CC2)n1 ZINC000445653073 387955817 /nfs/dbraw/zinc/95/58/17/387955817.db2.gz SSXMJJDXPYALRJ-NSHDSACASA-N 0 0 238.400 3.893 20 0 BHADRN CCCCc1nc(-c2cc3ccccc3o2)no1 ZINC000445659467 387956689 /nfs/dbraw/zinc/95/66/89/387956689.db2.gz VVGQKXNYZGBXBA-UHFFFAOYSA-N 0 0 242.278 3.825 20 0 BHADRN CC(C)c1cc(N2CCCCC(C)(C)C2)ncn1 ZINC000445659484 387955598 /nfs/dbraw/zinc/95/55/98/387955598.db2.gz VZGGROBECRMABX-UHFFFAOYSA-N 0 0 247.386 3.617 20 0 BHADRN CC1(C)CCCCN(c2ncccc2Cl)C1 ZINC000445661178 387956175 /nfs/dbraw/zinc/95/61/75/387956175.db2.gz BRNWETCMSCCWEJ-UHFFFAOYSA-N 0 0 238.762 3.752 20 0 BHADRN Cc1nc(N2CCCCC(C)(C)C2)sc1C ZINC000445661297 201648122 /nfs/dbraw/zinc/64/81/22/201648122.db2.gz DJGKBCZVJNVJKO-UHFFFAOYSA-N 0 0 238.400 3.776 20 0 BHADRN CC1(C)CCCCN(c2ccc(Cl)cn2)C1 ZINC000445661761 206084528 /nfs/dbraw/zinc/08/45/28/206084528.db2.gz KQRWLZWYCYOESS-UHFFFAOYSA-N 0 0 238.762 3.752 20 0 BHADRN CC1(C)CCCCN(c2nccc3occc32)C1 ZINC000445665461 206085326 /nfs/dbraw/zinc/08/53/26/206085326.db2.gz QHIBVDREPWRWKC-UHFFFAOYSA-N 0 0 244.338 3.844 20 0 BHADRN CC1(C)CCCCN(c2nc3ccccc3o2)C1 ZINC000445666619 206085897 /nfs/dbraw/zinc/08/58/97/206085897.db2.gz WGUFNKJWSWFZDF-UHFFFAOYSA-N 0 0 244.338 3.844 20 0 BHADRN CC(C)c1nccc(N2CCCCC(C)(C)C2)n1 ZINC000445666793 206085096 /nfs/dbraw/zinc/08/50/96/206085096.db2.gz CCCMLCLGVRVDKC-UHFFFAOYSA-N 0 0 247.386 3.617 20 0 BHADRN Cc1ccnc(N2CCCC3(CCCC3)C2)c1 ZINC000445668809 206085660 /nfs/dbraw/zinc/08/56/60/206085660.db2.gz RBECDWQJNCJSPU-UHFFFAOYSA-N 0 0 230.355 3.551 20 0 BHADRN Cc1cccc(N2CCCC3(CCCC3)C2)n1 ZINC000445674652 206086473 /nfs/dbraw/zinc/08/64/73/206086473.db2.gz KEYXNZBTAHXKDV-UHFFFAOYSA-N 0 0 230.355 3.551 20 0 BHADRN CCCCN(C)C(=O)C1(CC(C)C)CCCC1 ZINC000445675252 387957447 /nfs/dbraw/zinc/95/74/47/387957447.db2.gz 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CC/C=C(/C)c1nc(CCCSCC)no1 ZINC000445762705 201652536 /nfs/dbraw/zinc/65/25/36/201652536.db2.gz AJSVJKWGMJBCOL-YFHOEESVSA-N 0 0 240.372 3.569 20 0 BHADRN CCC[C@H](C)c1nc(CCCSCC)no1 ZINC000445764421 387964911 /nfs/dbraw/zinc/96/49/11/387964911.db2.gz FJUMEMDRSIWICB-JTQLQIEISA-N 0 0 242.388 3.659 20 0 BHADRN CCC[C@@H](C)c1nc(CCCSCC)no1 ZINC000445764422 387964919 /nfs/dbraw/zinc/96/49/19/387964919.db2.gz FJUMEMDRSIWICB-SNVBAGLBSA-N 0 0 242.388 3.659 20 0 BHADRN CCSCCCc1noc(C(CC)CC)n1 ZINC000445765040 387965153 /nfs/dbraw/zinc/96/51/53/387965153.db2.gz KHEBTXDFZNWFSI-UHFFFAOYSA-N 0 0 242.388 3.659 20 0 BHADRN Cc1ccc2oc(-c3noc(C4CC4)n3)cc2c1 ZINC000445774441 387965536 /nfs/dbraw/zinc/96/55/36/387965536.db2.gz NWRUMNRXVJNJLC-UHFFFAOYSA-N 0 0 240.262 3.669 20 0 BHADRN Cc1ccc2oc(-c3noc(C(C)C)n3)cc2c1 ZINC000445776165 387966003 /nfs/dbraw/zinc/96/60/03/387966003.db2.gz UBHLWJROIOJGTC-UHFFFAOYSA-N 0 0 242.278 3.915 20 0 BHADRN CCC1(c2noc([C@@H](C)C3CC3)n2)CCCC1 ZINC000445779962 201652150 /nfs/dbraw/zinc/65/21/50/201652150.db2.gz HGFGRDPELFPJNF-JTQLQIEISA-N 0 0 234.343 3.805 20 0 BHADRN CCC1(c2noc([C@H](C)C3CC3)n2)CCCC1 ZINC000445780163 387965607 /nfs/dbraw/zinc/96/56/07/387965607.db2.gz HGFGRDPELFPJNF-SNVBAGLBSA-N 0 0 234.343 3.805 20 0 BHADRN CCC(C)(C)c1nc(C2(CC)CCCC2)no1 ZINC000445780205 387965331 /nfs/dbraw/zinc/96/53/31/387965331.db2.gz HSLIEWWGTKSIMH-UHFFFAOYSA-N 0 0 236.359 3.979 20 0 BHADRN CCC1(c2noc(-c3ccoc3)n2)CCCC1 ZINC000445781363 387965901 /nfs/dbraw/zinc/96/59/01/387965901.db2.gz KMFUOFAAIQBBGF-UHFFFAOYSA-N 0 0 232.283 3.551 20 0 BHADRN CCC1(c2noc(CCC3CC3)n2)CCCC1 ZINC000445783629 387965979 /nfs/dbraw/zinc/96/59/79/387965979.db2.gz MATGFHJBNSZJIQ-UHFFFAOYSA-N 0 0 234.343 3.634 20 0 BHADRN CCC1(c2noc(CC3CCC3)n2)CCCC1 ZINC000445784640 201651843 /nfs/dbraw/zinc/65/18/43/201651843.db2.gz OZJHVNOEJGLDQD-UHFFFAOYSA-N 0 0 234.343 3.634 20 0 BHADRN CCC1(c2noc([C@@H](C)SC)n2)CCCC1 ZINC000445785783 201651786 /nfs/dbraw/zinc/65/17/86/201651786.db2.gz XDENWQUSBNJQLK-SECBINFHSA-N 0 0 240.372 3.715 20 0 BHADRN CCC1(c2noc([C@H](C)SC)n2)CCCC1 ZINC000445785784 201652121 /nfs/dbraw/zinc/65/21/21/201652121.db2.gz XDENWQUSBNJQLK-VIFPVBQESA-N 0 0 240.372 3.715 20 0 BHADRN CCC1(c2noc(-c3ccco3)n2)CCCC1 ZINC000445789610 387968580 /nfs/dbraw/zinc/96/85/80/387968580.db2.gz JSOGQELAGDJUID-UHFFFAOYSA-N 0 0 232.283 3.551 20 0 BHADRN CCC1(c2noc(-c3ccoc3C)n2)CCCC1 ZINC000445789986 201651615 /nfs/dbraw/zinc/65/16/15/201651615.db2.gz JQYBULIPKAQXIT-UHFFFAOYSA-N 0 0 246.310 3.860 20 0 BHADRN CCC1(c2noc(-c3ccc(C)o3)n2)CCCC1 ZINC000445790949 387968507 /nfs/dbraw/zinc/96/85/07/387968507.db2.gz RXTLXFRGFXXRLI-UHFFFAOYSA-N 0 0 246.310 3.860 20 0 BHADRN CCC1(c2noc(C=C(C)C)n2)CCCC1 ZINC000445791733 201651707 /nfs/dbraw/zinc/65/17/07/201651707.db2.gz WSHXQNYRASTGNV-UHFFFAOYSA-N 0 0 220.316 3.715 20 0 BHADRN CCC1(c2noc(C[C@@H]3C=CCC3)n2)CCCC1 ZINC000445792417 387968719 /nfs/dbraw/zinc/96/87/19/387968719.db2.gz XKVAMKMOEMBABJ-GFCCVEGCSA-N 0 0 246.354 3.800 20 0 BHADRN CCC1(c2noc(C[C@H]3C=CCC3)n2)CCCC1 ZINC000445792418 387968444 /nfs/dbraw/zinc/96/84/44/387968444.db2.gz XKVAMKMOEMBABJ-LBPRGKRZSA-N 0 0 246.354 3.800 20 0 BHADRN CCC1(c2noc(C3CCC3)n2)CCCC1 ZINC000445792597 387968688 /nfs/dbraw/zinc/96/86/88/387968688.db2.gz DGLQAHLRTVJFAN-UHFFFAOYSA-N 0 0 220.316 3.559 20 0 BHADRN CCC1(c2nc(C3(CC)CCCC3)no2)CC1 ZINC000445793018 387968422 /nfs/dbraw/zinc/96/84/22/387968422.db2.gz AOMMIIUOMZHINH-UHFFFAOYSA-N 0 0 234.343 3.733 20 0 BHADRN CC[C@H](C)c1nc(C2(CC)CCCC2)no1 ZINC000445794492 387968742 /nfs/dbraw/zinc/96/87/42/387968742.db2.gz OWBVOQRTEFYYMO-JTQLQIEISA-N 0 0 222.332 3.805 20 0 BHADRN CC[C@@H](C)c1nc(C2(CC)CCCC2)no1 ZINC000445794493 387968063 /nfs/dbraw/zinc/96/80/63/387968063.db2.gz OWBVOQRTEFYYMO-SNVBAGLBSA-N 0 0 222.332 3.805 20 0 BHADRN CCC1(c2noc(C(C)(C)C)n2)CCCC1 ZINC000445794965 387967719 /nfs/dbraw/zinc/96/77/19/387967719.db2.gz SEZZWGUOGQDGFQ-UHFFFAOYSA-N 0 0 222.332 3.589 20 0 BHADRN CCC1(c2noc(C3CC=CC3)n2)CCCC1 ZINC000445795480 387967813 /nfs/dbraw/zinc/96/78/13/387967813.db2.gz UXVFSXOGFSDBNG-UHFFFAOYSA-N 0 0 232.327 3.725 20 0 BHADRN CCC1(c2noc(-c3ccccc3)n2)CCCC1 ZINC000445796327 387967731 /nfs/dbraw/zinc/96/77/31/387967731.db2.gz ZXPWWQDYYJQECH-UHFFFAOYSA-N 0 0 242.322 3.958 20 0 BHADRN CCC1(c2noc(-c3occc3C)n2)CCCC1 ZINC000445796661 201652179 /nfs/dbraw/zinc/65/21/79/201652179.db2.gz ZOBJWWOXBJMXJR-UHFFFAOYSA-N 0 0 246.310 3.860 20 0 BHADRN C/C=C/C=C\c1nc(C2(CC)CCCC2)no1 ZINC000445797989 387965303 /nfs/dbraw/zinc/96/53/03/387965303.db2.gz MHKOZTUBUBBBMG-BWRAOMHSSA-N 0 0 232.327 3.881 20 0 BHADRN C/C=C/C=C/c1nc(C2(CC)CCCC2)no1 ZINC000445797990 387965600 /nfs/dbraw/zinc/96/56/00/387965600.db2.gz MHKOZTUBUBBBMG-USXIXMCRSA-N 0 0 232.327 3.881 20 0 BHADRN CCCc1nc(C(C)(C)Cc2ccccc2)no1 ZINC000445798030 387967958 /nfs/dbraw/zinc/96/79/58/387967958.db2.gz MQDMUPNFYXLKNA-UHFFFAOYSA-N 0 0 244.338 3.542 20 0 BHADRN CCC1(c2noc(CC(C)(C)C)n2)CCCC1 ZINC000445799134 387967521 /nfs/dbraw/zinc/96/75/21/387967521.db2.gz 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COCC[C@@H](C)SC/C=C\c1ccccc1 ZINC000446794013 201695901 /nfs/dbraw/zinc/69/59/01/201695901.db2.gz IBOCJVCZDLIZKI-OYVUYXNMSA-N 0 0 236.380 3.858 20 0 BHADRN COCC[C@H](C)SC/C=C/c1ccccc1 ZINC000446794014 518071976 /nfs/dbraw/zinc/07/19/76/518071976.db2.gz IBOCJVCZDLIZKI-PPGNKHEKSA-N 0 0 236.380 3.858 20 0 BHADRN COCC[C@H](C)SC/C=C\c1ccccc1 ZINC000446794015 201695311 /nfs/dbraw/zinc/69/53/11/201695311.db2.gz IBOCJVCZDLIZKI-XURPKSDJSA-N 0 0 236.380 3.858 20 0 BHADRN COCC[C@@H](C)SC/C=C/c1ccccc1 ZINC000446794016 201696181 /nfs/dbraw/zinc/69/61/81/201696181.db2.gz IBOCJVCZDLIZKI-YSKGHYERSA-N 0 0 236.380 3.858 20 0 BHADRN COCC[C@@H](C)SCC1CCCCC1 ZINC000446795364 388039221 /nfs/dbraw/zinc/03/92/21/388039221.db2.gz HARRNMBGCWJEIF-LLVKDONJSA-N 0 0 216.390 3.725 20 0 BHADRN COCC[C@H](C)SCC1CCCCC1 ZINC000446795367 388038550 /nfs/dbraw/zinc/03/85/50/388038550.db2.gz HARRNMBGCWJEIF-NSHDSACASA-N 0 0 216.390 3.725 20 0 BHADRN Cn1ccc2cccc(NCC3(C)CCC3)c21 ZINC000446799038 537903354 /nfs/dbraw/zinc/90/33/54/537903354.db2.gz JCFNBPRBLKAJQP-UHFFFAOYSA-N 0 0 228.339 3.780 20 0 BHADRN CCC(C)(C)CCS[C@H](C)CCOC ZINC000446800907 388038966 /nfs/dbraw/zinc/03/89/66/388038966.db2.gz ZETYCQDAAWZKMN-LLVKDONJSA-N 0 0 218.406 3.971 20 0 BHADRN CCC(C)(C)CCS[C@@H](C)CCOC ZINC000446800908 201694460 /nfs/dbraw/zinc/69/44/60/201694460.db2.gz ZETYCQDAAWZKMN-NSHDSACASA-N 0 0 218.406 3.971 20 0 BHADRN C[C@H](CCN1CCC(F)(F)C1)c1ccccc1 ZINC000446807698 388039594 /nfs/dbraw/zinc/03/95/94/388039594.db2.gz DELAETIGNBPRFI-GFCCVEGCSA-N 0 0 239.309 3.521 20 0 BHADRN C[C@@H](CCN1CCC(F)(F)C1)c1ccccc1 ZINC000446807699 388038669 /nfs/dbraw/zinc/03/86/69/388038669.db2.gz DELAETIGNBPRFI-LBPRGKRZSA-N 0 0 239.309 3.521 20 0 BHADRN COCC[C@@H](C)SCCc1ccc(C)cc1 ZINC000446811464 201698435 /nfs/dbraw/zinc/69/84/35/201698435.db2.gz AEDJGFCQLPXOKO-CYBMUJFWSA-N 0 0 238.396 3.696 20 0 BHADRN COCC[C@H](C)SCCc1ccc(C)cc1 ZINC000446811465 388039632 /nfs/dbraw/zinc/03/96/32/388039632.db2.gz AEDJGFCQLPXOKO-ZDUSSCGKSA-N 0 0 238.396 3.696 20 0 BHADRN COCC[C@@H](C)SCCC1CCCC1 ZINC000446812602 388038989 /nfs/dbraw/zinc/03/89/89/388038989.db2.gz KXQKRJDXTGQQCN-LLVKDONJSA-N 0 0 216.390 3.725 20 0 BHADRN COCC[C@H](C)SCCC1CCCC1 ZINC000446812603 388039531 /nfs/dbraw/zinc/03/95/31/388039531.db2.gz KXQKRJDXTGQQCN-NSHDSACASA-N 0 0 216.390 3.725 20 0 BHADRN Cc1ccc(CN2CCC=C(F)C2)cc1Cl ZINC000446821387 388041017 /nfs/dbraw/zinc/04/10/17/388041017.db2.gz OGMQWLNMGBHNIU-UHFFFAOYSA-N 0 0 239.721 3.708 20 0 BHADRN C[C@H]1CC(C)(C)C[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000446825195 537911501 /nfs/dbraw/zinc/91/15/01/537911501.db2.gz BDHZQJJUWKLZMT-AAEUAGOBSA-N 0 0 249.402 3.875 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@H]1Nc1cnn(C(C)(C)C)c1 ZINC000446825196 537910850 /nfs/dbraw/zinc/91/08/50/537910850.db2.gz BDHZQJJUWKLZMT-DGCLKSJQSA-N 0 0 249.402 3.875 20 0 BHADRN C[C@H]1CC(C)(C)C[C@H]1Nc1cnn(C(C)(C)C)c1 ZINC000446825197 537911275 /nfs/dbraw/zinc/91/12/75/537911275.db2.gz BDHZQJJUWKLZMT-WCQYABFASA-N 0 0 249.402 3.875 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000446825198 537911349 /nfs/dbraw/zinc/91/13/49/537911349.db2.gz BDHZQJJUWKLZMT-YPMHNXCESA-N 0 0 249.402 3.875 20 0 BHADRN CCC1(CC)CCN(c2nccc3occc32)C1 ZINC000446832344 388040307 /nfs/dbraw/zinc/04/03/07/388040307.db2.gz AYDCTDNNXMQZNP-UHFFFAOYSA-N 0 0 244.338 3.844 20 0 BHADRN C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC23CCC3)o1 ZINC000446835551 388040226 /nfs/dbraw/zinc/04/02/26/388040226.db2.gz PGDCTLUPEYOJLO-GXTWGEPZSA-N 0 0 245.366 3.922 20 0 BHADRN C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC23CCC3)o1 ZINC000446835552 388041145 /nfs/dbraw/zinc/04/11/45/388041145.db2.gz PGDCTLUPEYOJLO-JSGCOSHPSA-N 0 0 245.366 3.922 20 0 BHADRN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCC23CCC3)o1 ZINC000446835553 388040807 /nfs/dbraw/zinc/04/08/07/388040807.db2.gz PGDCTLUPEYOJLO-OCCSQVGLSA-N 0 0 245.366 3.922 20 0 BHADRN C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCC23CCC3)o1 ZINC000446835554 388041157 /nfs/dbraw/zinc/04/11/57/388041157.db2.gz PGDCTLUPEYOJLO-TZMCWYRMSA-N 0 0 245.366 3.922 20 0 BHADRN CCC1(CC)CCN(c2nc3ccccc3o2)C1 ZINC000446838575 201697373 /nfs/dbraw/zinc/69/73/73/201697373.db2.gz JXYFOAFGJGDNNT-UHFFFAOYSA-N 0 0 244.338 3.844 20 0 BHADRN CCC(CC)n1ccc(C[N@@H+]2CCC[C@@H]2CC)n1 ZINC000446839494 388041046 /nfs/dbraw/zinc/04/10/46/388041046.db2.gz APDCTQWCBUBJHO-HNNXBMFYSA-N 0 0 249.402 3.619 20 0 BHADRN CCC(CC)n1ccc(C[N@@H+]2CCC[C@H]2CC)n1 ZINC000446839495 388040963 /nfs/dbraw/zinc/04/09/63/388040963.db2.gz APDCTQWCBUBJHO-OAHLLOKOSA-N 0 0 249.402 3.619 20 0 BHADRN CCC1(CC)CCN(c2cc(C(C)C)ncn2)C1 ZINC000446840786 388041682 /nfs/dbraw/zinc/04/16/82/388041682.db2.gz IVKIKHBGWWSRMK-UHFFFAOYSA-N 0 0 247.386 3.617 20 0 BHADRN CCC1(CC)CCN(c2ccnc(C(C)C)n2)C1 ZINC000446844919 388042399 /nfs/dbraw/zinc/04/23/99/388042399.db2.gz JXFCOXQAZLFMAN-UHFFFAOYSA-N 0 0 247.386 3.617 20 0 BHADRN CN(CCC1CC1)c1ccc2ccc(F)cc2n1 ZINC000446877487 388042084 /nfs/dbraw/zinc/04/20/84/388042084.db2.gz MJTQTTFGGJEFOP-UHFFFAOYSA-N 0 0 244.313 3.610 20 0 BHADRN CC[C@H](N[C@@H](C)c1ccon1)c1cccc(F)c1 ZINC000446891200 201699178 /nfs/dbraw/zinc/69/91/78/201699178.db2.gz VNOAKLRHMKSFRH-GWCFXTLKSA-N 0 0 248.301 3.616 20 0 BHADRN CC[C@@H](N[C@@H](C)c1ccon1)c1cccc(F)c1 ZINC000446891201 388044478 /nfs/dbraw/zinc/04/44/78/388044478.db2.gz VNOAKLRHMKSFRH-GXFFZTMASA-N 0 0 248.301 3.616 20 0 BHADRN CC[C@H](N[C@H](C)c1ccon1)c1cccc(F)c1 ZINC000446891202 388043176 /nfs/dbraw/zinc/04/31/76/388043176.db2.gz VNOAKLRHMKSFRH-MFKMUULPSA-N 0 0 248.301 3.616 20 0 BHADRN CC[C@@H](N[C@H](C)c1ccon1)c1cccc(F)c1 ZINC000446891203 388043924 /nfs/dbraw/zinc/04/39/24/388043924.db2.gz VNOAKLRHMKSFRH-ZWNOBZJWSA-N 0 0 248.301 3.616 20 0 BHADRN CCNc1ccc(Oc2ccccc2)cc1OC ZINC000446898851 388044446 /nfs/dbraw/zinc/04/44/46/388044446.db2.gz FGOJEOJWVIAEIS-UHFFFAOYSA-N 0 0 243.306 3.919 20 0 BHADRN Cc1c(N[C@@H]2CCC[C@H]2C)cnn1C1CCCC1 ZINC000446901331 388043737 /nfs/dbraw/zinc/04/37/37/388043737.db2.gz BRPUOXURJJIZIP-BXUZGUMPSA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@H]2CCC[C@@H]2C)cnn1C1CCCC1 ZINC000446901332 388044158 /nfs/dbraw/zinc/04/41/58/388044158.db2.gz BRPUOXURJJIZIP-FZMZJTMJSA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@H]2CCC[C@H]2C)cnn1C1CCCC1 ZINC000446901334 388043911 /nfs/dbraw/zinc/04/39/11/388043911.db2.gz BRPUOXURJJIZIP-RISCZKNCSA-N 0 0 247.386 3.907 20 0 BHADRN Cc1c(N[C@@H]2CCC[C@@H]2C)cnn1C1CCCC1 ZINC000446901336 201699046 /nfs/dbraw/zinc/69/90/46/201699046.db2.gz BRPUOXURJJIZIP-SMDDNHRTSA-N 0 0 247.386 3.907 20 0 BHADRN COC[C@H](Nc1ccc(C)cc1)C1CCCC1 ZINC000446919882 201699916 /nfs/dbraw/zinc/69/99/16/201699916.db2.gz JMTNHWMLXWMFPQ-HNNXBMFYSA-N 0 0 233.355 3.612 20 0 BHADRN COC[C@@H](Nc1ccc(C)cc1)C1CCCC1 ZINC000446919883 388043510 /nfs/dbraw/zinc/04/35/10/388043510.db2.gz JMTNHWMLXWMFPQ-OAHLLOKOSA-N 0 0 233.355 3.612 20 0 BHADRN COCc1cccc(CSCC2CCC2)c1 ZINC000446940310 411309260 /nfs/dbraw/zinc/30/92/60/411309260.db2.gz SWEXPJJXUCLPGM-UHFFFAOYSA-N 0 0 236.380 3.866 20 0 BHADRN COC[C@H](Nc1cccc(C)c1)C1CCCC1 ZINC000446943801 411309015 /nfs/dbraw/zinc/30/90/15/411309015.db2.gz ZFNIGMPGZSRPQP-HNNXBMFYSA-N 0 0 233.355 3.612 20 0 BHADRN COC[C@@H](Nc1cccc(C)c1)C1CCCC1 ZINC000446943802 411309250 /nfs/dbraw/zinc/30/92/50/411309250.db2.gz ZFNIGMPGZSRPQP-OAHLLOKOSA-N 0 0 233.355 3.612 20 0 BHADRN CC1(CNc2ccc(C(F)(F)F)nc2)CCC1 ZINC000446949288 537942188 /nfs/dbraw/zinc/94/21/88/537942188.db2.gz UFNRSSRUNAPFHB-UHFFFAOYSA-N 0 0 244.260 3.703 20 0 BHADRN C/C=C\CSCc1cccc(COC)c1 ZINC000446952694 201701679 /nfs/dbraw/zinc/70/16/79/201701679.db2.gz RWQALVNDIMYFHS-ARJAWSKDSA-N 0 0 222.353 3.642 20 0 BHADRN C/C=C/CSCc1cccc(COC)c1 ZINC000446952695 397949669 /nfs/dbraw/zinc/94/96/69/397949669.db2.gz RWQALVNDIMYFHS-ONEGZZNKSA-N 0 0 222.353 3.642 20 0 BHADRN CCCCSCc1cccc(COC)c1 ZINC000446952772 397949455 /nfs/dbraw/zinc/94/94/55/397949455.db2.gz SOBHENBRMULSKA-UHFFFAOYSA-N 0 0 224.369 3.866 20 0 BHADRN COCc1cccc(CSc2ccccn2)c1 ZINC000446956287 201702415 /nfs/dbraw/zinc/70/24/15/201702415.db2.gz FQRQWZIQASXRFK-UHFFFAOYSA-N 0 0 245.347 3.520 20 0 BHADRN Fc1ccc(Cl)cc1OCc1nccs1 ZINC000446958681 397949623 /nfs/dbraw/zinc/94/96/23/397949623.db2.gz GCWYXKJNPBHMGV-UHFFFAOYSA-N 0 0 243.690 3.515 20 0 BHADRN Cc1cccc(Cl)c1OCc1nccs1 ZINC000446962435 397949626 /nfs/dbraw/zinc/94/96/26/397949626.db2.gz LPNICZQPCNXLQQ-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN COCc1cccc(CSCC(C)C)c1 ZINC000446965219 201703021 /nfs/dbraw/zinc/70/30/21/201703021.db2.gz LKTSBIPAIDIRKT-UHFFFAOYSA-N 0 0 224.369 3.722 20 0 BHADRN CCC[C@@H](Nc1ncc(F)cn1)c1ccccc1 ZINC000446974091 388046623 /nfs/dbraw/zinc/04/66/23/388046623.db2.gz GZRPXCAJNZSEOT-CYBMUJFWSA-N 0 0 245.301 3.569 20 0 BHADRN CCC[C@H](Nc1ncc(F)cn1)c1ccccc1 ZINC000446974092 388046048 /nfs/dbraw/zinc/04/60/48/388046048.db2.gz GZRPXCAJNZSEOT-ZDUSSCGKSA-N 0 0 245.301 3.569 20 0 BHADRN Fc1cnc(Oc2ccc3ccccc3c2)nc1 ZINC000446980020 201702849 /nfs/dbraw/zinc/70/28/49/201702849.db2.gz HQUFUHALEMUENA-UHFFFAOYSA-N 0 0 240.237 3.561 20 0 BHADRN Cn1c2ccccc2nc1-c1coc2ccccc12 ZINC000446993279 388048370 /nfs/dbraw/zinc/04/83/70/388048370.db2.gz ICLMGNLLLZNGRQ-UHFFFAOYSA-N 0 0 248.285 3.987 20 0 BHADRN CC(C)=CCSC[C@H](O)CC1CCCC1 ZINC000447007150 388048558 /nfs/dbraw/zinc/04/85/58/388048558.db2.gz ORVZMLHBTUIFJU-CYBMUJFWSA-N 0 0 228.401 3.627 20 0 BHADRN CC(C)=CCSC[C@@H](O)CC1CCCC1 ZINC000447007151 388047515 /nfs/dbraw/zinc/04/75/15/388047515.db2.gz ORVZMLHBTUIFJU-ZDUSSCGKSA-N 0 0 228.401 3.627 20 0 BHADRN CC(C)=CCSCC1(O)CCC(C)CC1 ZINC000447011547 201705115 /nfs/dbraw/zinc/70/51/15/201705115.db2.gz UKPQKKKYUYYLSF-UHFFFAOYSA-N 0 0 228.401 3.627 20 0 BHADRN CC(C)=CCSC[C@@H](O)C1CCCCC1 ZINC000447017063 201704212 /nfs/dbraw/zinc/70/42/12/201704212.db2.gz NACAKRWHWRPUIS-CYBMUJFWSA-N 0 0 228.401 3.627 20 0 BHADRN CC(C)=CCSC[C@H](O)C1CCCCC1 ZINC000447017064 201704724 /nfs/dbraw/zinc/70/47/24/201704724.db2.gz NACAKRWHWRPUIS-ZDUSSCGKSA-N 0 0 228.401 3.627 20 0 BHADRN CC(C)[C@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000447050926 201704061 /nfs/dbraw/zinc/70/40/61/201704061.db2.gz QMZBLBIVDLFZRX-AWEZNQCLSA-N 0 0 240.350 3.717 20 0 BHADRN CC(C)[C@@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000447050927 201703459 /nfs/dbraw/zinc/70/34/59/201703459.db2.gz QMZBLBIVDLFZRX-CQSZACIVSA-N 0 0 240.350 3.717 20 0 BHADRN CC(C)[C@@H]1CCN(c2nc3ccccc3s2)C1 ZINC000447067336 388051830 /nfs/dbraw/zinc/05/18/30/388051830.db2.gz NFXWOAKQDQJSDH-LLVKDONJSA-N 0 0 246.379 3.779 20 0 BHADRN CC(C)[C@H]1CCN(c2nc3ccccc3s2)C1 ZINC000447067337 388050922 /nfs/dbraw/zinc/05/09/22/388050922.db2.gz NFXWOAKQDQJSDH-NSHDSACASA-N 0 0 246.379 3.779 20 0 BHADRN CC[C@@H]1CCN(c2ccc3ccc(F)cc3n2)C1 ZINC000447068358 388051854 /nfs/dbraw/zinc/05/18/54/388051854.db2.gz KYWWMSYSXRTMND-LLVKDONJSA-N 0 0 244.313 3.610 20 0 BHADRN CC[C@H]1CCN(c2ccc3ccc(F)cc3n2)C1 ZINC000447068371 201706621 /nfs/dbraw/zinc/70/66/21/201706621.db2.gz KYWWMSYSXRTMND-NSHDSACASA-N 0 0 244.313 3.610 20 0 BHADRN CC(C)[C@@H]1CCN(c2ccnc3ccsc32)C1 ZINC000447073957 388050968 /nfs/dbraw/zinc/05/09/68/388050968.db2.gz ARERBETZCUSFEQ-LLVKDONJSA-N 0 0 246.379 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/nfs/dbraw/zinc/06/06/79/388060679.db2.gz JMIOKDMYYHMLQO-WDEREUQCSA-N 0 0 240.730 3.534 20 0 BHADRN C[C@@H]1C[C@@H](CSc2ccccc2)CCO1 ZINC000447297544 388061176 /nfs/dbraw/zinc/06/11/76/388061176.db2.gz XSYPVPDPPQGCAW-NEPJUHHUSA-N 0 0 222.353 3.594 20 0 BHADRN C[C@H]1C[C@H](CSc2ccccc2)CCO1 ZINC000447297545 388061115 /nfs/dbraw/zinc/06/11/15/388061115.db2.gz XSYPVPDPPQGCAW-NWDGAFQWSA-N 0 0 222.353 3.594 20 0 BHADRN C[C@H]1C[C@@H](CSc2ccccc2)CCO1 ZINC000447297546 388061430 /nfs/dbraw/zinc/06/14/30/388061430.db2.gz XSYPVPDPPQGCAW-RYUDHWBXSA-N 0 0 222.353 3.594 20 0 BHADRN C[C@@H]1C[C@H](CSc2ccccc2)CCO1 ZINC000447297547 388061086 /nfs/dbraw/zinc/06/10/86/388061086.db2.gz XSYPVPDPPQGCAW-VXGBXAGGSA-N 0 0 222.353 3.594 20 0 BHADRN CCc1nccn1Cc1ccc(C2CCC2)cc1 ZINC000447298967 388061488 /nfs/dbraw/zinc/06/14/88/388061488.db2.gz MKTHLHKFKKTSSA-UHFFFAOYSA-N 0 0 240.350 3.761 20 0 BHADRN Cc1ccc(CN2CC[C@@](C)(F)C2)c(Cl)c1 ZINC000447302986 388061891 /nfs/dbraw/zinc/06/18/91/388061891.db2.gz RANCTWVPELUHRF-CYBMUJFWSA-N 0 0 241.737 3.582 20 0 BHADRN Cc1ccc(CN2CC[C@](C)(F)C2)c(Cl)c1 ZINC000447302989 388061148 /nfs/dbraw/zinc/06/11/48/388061148.db2.gz RANCTWVPELUHRF-ZDUSSCGKSA-N 0 0 241.737 3.582 20 0 BHADRN Cc1ccccc1SC[C@@H]1CCO[C@H](C)C1 ZINC000447303120 201713178 /nfs/dbraw/zinc/71/31/78/201713178.db2.gz HDCBAHFSHKNXJM-CHWSQXEVSA-N 0 0 236.380 3.902 20 0 BHADRN Cc1ccccc1SC[C@H]1CCO[C@H](C)C1 ZINC000447303122 388061507 /nfs/dbraw/zinc/06/15/07/388061507.db2.gz HDCBAHFSHKNXJM-OLZOCXBDSA-N 0 0 236.380 3.902 20 0 BHADRN Cc1ccccc1SC[C@@H]1CCO[C@@H](C)C1 ZINC000447303123 201713789 /nfs/dbraw/zinc/71/37/89/201713789.db2.gz HDCBAHFSHKNXJM-QWHCGFSZSA-N 0 0 236.380 3.902 20 0 BHADRN Cc1ccccc1SC[C@H]1CCO[C@@H](C)C1 ZINC000447303125 388061240 /nfs/dbraw/zinc/06/12/40/388061240.db2.gz HDCBAHFSHKNXJM-STQMWFEESA-N 0 0 236.380 3.902 20 0 BHADRN C[C@@H]1C[C@H](CSc2cccs2)CCO1 ZINC000447303266 201713409 /nfs/dbraw/zinc/71/34/09/201713409.db2.gz ROKIOPCFCIRZHP-NXEZZACHSA-N 0 0 228.382 3.655 20 0 BHADRN C[C@H]1C[C@@H](CSc2cccs2)CCO1 ZINC000447303267 388061762 /nfs/dbraw/zinc/06/17/62/388061762.db2.gz ROKIOPCFCIRZHP-UWVGGRQHSA-N 0 0 228.382 3.655 20 0 BHADRN C[C@H]1C[C@H](CSc2cccs2)CCO1 ZINC000447303268 388061119 /nfs/dbraw/zinc/06/11/19/388061119.db2.gz ROKIOPCFCIRZHP-VHSXEESVSA-N 0 0 228.382 3.655 20 0 BHADRN C[C@@H]1C[C@@H](CSc2cccs2)CCO1 ZINC000447303269 388061376 /nfs/dbraw/zinc/06/13/76/388061376.db2.gz ROKIOPCFCIRZHP-ZJUUUORDSA-N 0 0 228.382 3.655 20 0 BHADRN C[C@@H]1C[C@H](CSc2cccc(F)c2)CCO1 ZINC000447307604 388061350 /nfs/dbraw/zinc/06/13/50/388061350.db2.gz WBRZBDRBDINJIA-GHMZBOCLSA-N 0 0 240.343 3.733 20 0 BHADRN C[C@@H]1C[C@@H](CSc2cccc(F)c2)CCO1 ZINC000447307605 201713239 /nfs/dbraw/zinc/71/32/39/201713239.db2.gz WBRZBDRBDINJIA-MNOVXSKESA-N 0 0 240.343 3.733 20 0 BHADRN C[C@H]1C[C@@H](CSc2cccc(F)c2)CCO1 ZINC000447307606 388061765 /nfs/dbraw/zinc/06/17/65/388061765.db2.gz WBRZBDRBDINJIA-QWRGUYRKSA-N 0 0 240.343 3.733 20 0 BHADRN C[C@H]1C[C@H](CSc2cccc(F)c2)CCO1 ZINC000447307607 388060688 /nfs/dbraw/zinc/06/06/88/388060688.db2.gz WBRZBDRBDINJIA-WDEREUQCSA-N 0 0 240.343 3.733 20 0 BHADRN c1c[nH]c(SCc2ccc(C3CCC3)cc2)n1 ZINC000447307893 388062427 /nfs/dbraw/zinc/06/24/27/388062427.db2.gz YDWZJVFRLCUEJZ-UHFFFAOYSA-N 0 0 244.363 3.970 20 0 BHADRN CC[C@@H](C)CSCCCSCCOC ZINC000447309437 388062810 /nfs/dbraw/zinc/06/28/10/388062810.db2.gz NTAHXDUVUPERDX-LLVKDONJSA-N 0 0 236.446 3.535 20 0 BHADRN CC[C@H](C)CSCCCSCCOC ZINC000447309438 388063303 /nfs/dbraw/zinc/06/33/03/388063303.db2.gz NTAHXDUVUPERDX-NSHDSACASA-N 0 0 236.446 3.535 20 0 BHADRN CCC(CC)SCCCSCCOC ZINC000447310781 388062703 /nfs/dbraw/zinc/06/27/03/388062703.db2.gz BGQNURIGJOKLIY-UHFFFAOYSA-N 0 0 236.446 3.678 20 0 BHADRN C[C@@H]1C[C@H](CSc2ccccc2F)CCO1 ZINC000447310826 201714102 /nfs/dbraw/zinc/71/41/02/201714102.db2.gz BVTQSBQDIYKNHU-GHMZBOCLSA-N 0 0 240.343 3.733 20 0 BHADRN C[C@@H]1C[C@@H](CSc2ccccc2F)CCO1 ZINC000447310827 388062520 /nfs/dbraw/zinc/06/25/20/388062520.db2.gz BVTQSBQDIYKNHU-MNOVXSKESA-N 0 0 240.343 3.733 20 0 BHADRN C[C@H]1C[C@@H](CSc2ccccc2F)CCO1 ZINC000447310828 201714346 /nfs/dbraw/zinc/71/43/46/201714346.db2.gz BVTQSBQDIYKNHU-QWRGUYRKSA-N 0 0 240.343 3.733 20 0 BHADRN C[C@H]1C[C@H](CSc2ccccc2F)CCO1 ZINC000447310829 201713503 /nfs/dbraw/zinc/71/35/03/201713503.db2.gz BVTQSBQDIYKNHU-WDEREUQCSA-N 0 0 240.343 3.733 20 0 BHADRN CCC(CC)SC[C@@H]1CCO[C@H](C)C1 ZINC000447311625 388062798 /nfs/dbraw/zinc/06/27/98/388062798.db2.gz ICIVLOOMJIJDNU-GHMZBOCLSA-N 0 0 216.390 3.723 20 0 BHADRN CCC(CC)SC[C@H]1CCO[C@H](C)C1 ZINC000447311627 388062855 /nfs/dbraw/zinc/06/28/55/388062855.db2.gz ICIVLOOMJIJDNU-MNOVXSKESA-N 0 0 216.390 3.723 20 0 BHADRN CCC(CC)SC[C@H]1CCO[C@@H](C)C1 ZINC000447311629 388062263 /nfs/dbraw/zinc/06/22/63/388062263.db2.gz ICIVLOOMJIJDNU-QWRGUYRKSA-N 0 0 216.390 3.723 20 0 BHADRN CCC(CC)SC[C@@H]1CCO[C@@H](C)C1 ZINC000447311630 388062742 /nfs/dbraw/zinc/06/27/42/388062742.db2.gz ICIVLOOMJIJDNU-WDEREUQCSA-N 0 0 216.390 3.723 20 0 BHADRN CC(C)[C@H](C)SC[C@@H]1CCO[C@H](C)C1 ZINC000447312573 388062281 /nfs/dbraw/zinc/06/22/81/388062281.db2.gz NEDXACXEWVRNAV-GRYCIOLGSA-N 0 0 216.390 3.579 20 0 BHADRN CC(C)[C@@H](C)SC[C@@H]1CCO[C@H](C)C1 ZINC000447312574 388062897 /nfs/dbraw/zinc/06/28/97/388062897.db2.gz NEDXACXEWVRNAV-IJLUTSLNSA-N 0 0 216.390 3.579 20 0 BHADRN CC(C)[C@@H](C)SC[C@H]1CCO[C@H](C)C1 ZINC000447312575 201713223 /nfs/dbraw/zinc/71/32/23/201713223.db2.gz NEDXACXEWVRNAV-UTUOFQBUSA-N 0 0 216.390 3.579 20 0 BHADRN CC(C)[C@H](C)SC[C@H]1CCO[C@H](C)C1 ZINC000447312576 388062859 /nfs/dbraw/zinc/06/28/59/388062859.db2.gz NEDXACXEWVRNAV-WOPDTQHZSA-N 0 0 216.390 3.579 20 0 BHADRN C[C@H](CO)SCc1ccc(C2CCC2)cc1 ZINC000447312990 388062795 /nfs/dbraw/zinc/06/27/95/388062795.db2.gz PKZBBDQDHMUVRI-LLVKDONJSA-N 0 0 236.380 3.568 20 0 BHADRN C[C@@H](CO)SCc1ccc(C2CCC2)cc1 ZINC000447312991 388063343 /nfs/dbraw/zinc/06/33/43/388063343.db2.gz PKZBBDQDHMUVRI-NSHDSACASA-N 0 0 236.380 3.568 20 0 BHADRN Cc1cnn(Cc2ccc(C3CCC3)cc2)c1 ZINC000447313924 388062422 /nfs/dbraw/zinc/06/24/22/388062422.db2.gz DISDXHQMNWGPSK-UHFFFAOYSA-N 0 0 226.323 3.507 20 0 BHADRN COCCSCCCS[C@H](C)C(C)C ZINC000447315563 388063034 /nfs/dbraw/zinc/06/30/34/388063034.db2.gz ZLZOJMTUKYEMIE-LLVKDONJSA-N 0 0 236.446 3.534 20 0 BHADRN COCCSCCCS[C@@H](C)C(C)C ZINC000447315564 388062861 /nfs/dbraw/zinc/06/28/61/388062861.db2.gz ZLZOJMTUKYEMIE-NSHDSACASA-N 0 0 236.446 3.534 20 0 BHADRN Cc1ccc(C)c(OC[C@@H]2CCO[C@@H](C)C2)c1C ZINC000447317610 388062856 /nfs/dbraw/zinc/06/28/56/388062856.db2.gz MWZFYQROHKGYHM-DZGCQCFKSA-N 0 0 248.366 3.806 20 0 BHADRN Cc1ccc(C)c(OC[C@H]2CCO[C@H](C)C2)c1C ZINC000447317612 398159206 /nfs/dbraw/zinc/15/92/06/398159206.db2.gz MWZFYQROHKGYHM-HIFRSBDPSA-N 0 0 248.366 3.806 20 0 BHADRN Cc1ccc(C)c(OC[C@@H]2CCO[C@H](C)C2)c1C ZINC000447317615 398159246 /nfs/dbraw/zinc/15/92/46/398159246.db2.gz MWZFYQROHKGYHM-UKRRQHHQSA-N 0 0 248.366 3.806 20 0 BHADRN Cc1ccc(C)c(OC[C@H]2CCO[C@@H](C)C2)c1C ZINC000447317618 398159175 /nfs/dbraw/zinc/15/91/75/398159175.db2.gz MWZFYQROHKGYHM-ZFWWWQNUSA-N 0 0 248.366 3.806 20 0 BHADRN Cc1cc(C)n(Cc2ccc(C3CCC3)cc2)n1 ZINC000447318457 388062853 /nfs/dbraw/zinc/06/28/53/388062853.db2.gz SADUROKDBUWZKU-UHFFFAOYSA-N 0 0 240.350 3.816 20 0 BHADRN Cc1cc(C)c(C)c(OC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000447319915 388063180 /nfs/dbraw/zinc/06/31/80/388063180.db2.gz UCGJSQSUQYRBAS-DZGCQCFKSA-N 0 0 248.366 3.806 20 0 BHADRN Cc1cc(C)c(C)c(OC[C@H]2CCO[C@H](C)C2)c1 ZINC000447319916 388062478 /nfs/dbraw/zinc/06/24/78/388062478.db2.gz UCGJSQSUQYRBAS-HIFRSBDPSA-N 0 0 248.366 3.806 20 0 BHADRN Cc1cc(C)c(C)c(OC[C@@H]2CCO[C@H](C)C2)c1 ZINC000447319917 388062905 /nfs/dbraw/zinc/06/29/05/388062905.db2.gz UCGJSQSUQYRBAS-UKRRQHHQSA-N 0 0 248.366 3.806 20 0 BHADRN Cc1cc(C)c(C)c(OC[C@H]2CCO[C@@H](C)C2)c1 ZINC000447319918 388063115 /nfs/dbraw/zinc/06/31/15/388063115.db2.gz UCGJSQSUQYRBAS-ZFWWWQNUSA-N 0 0 248.366 3.806 20 0 BHADRN CCCc1ccc(OC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000447324839 388064488 /nfs/dbraw/zinc/06/44/88/388064488.db2.gz HXVOZMJYXXXQEY-DZGCQCFKSA-N 0 0 248.366 3.833 20 0 BHADRN CCCc1ccc(OC[C@H]2CCO[C@H](C)C2)cc1 ZINC000447324840 388064519 /nfs/dbraw/zinc/06/45/19/388064519.db2.gz HXVOZMJYXXXQEY-HIFRSBDPSA-N 0 0 248.366 3.833 20 0 BHADRN CCCc1ccc(OC[C@@H]2CCO[C@H](C)C2)cc1 ZINC000447324841 388063753 /nfs/dbraw/zinc/06/37/53/388063753.db2.gz HXVOZMJYXXXQEY-UKRRQHHQSA-N 0 0 248.366 3.833 20 0 BHADRN CCCc1ccc(OC[C@H]2CCO[C@@H](C)C2)cc1 ZINC000447324842 388064189 /nfs/dbraw/zinc/06/41/89/388064189.db2.gz HXVOZMJYXXXQEY-ZFWWWQNUSA-N 0 0 248.366 3.833 20 0 BHADRN CC(C)Nc1ccc(Oc2ccccn2)cc1 ZINC000447338436 388063971 /nfs/dbraw/zinc/06/39/71/388063971.db2.gz BMHHCRLYKBFXGB-UHFFFAOYSA-N 0 0 228.295 3.694 20 0 BHADRN COCC[C@@H](C)Sc1cccc(Cl)c1 ZINC000447346827 388066053 /nfs/dbraw/zinc/06/60/53/388066053.db2.gz HJAJNHUCUIFGSJ-SECBINFHSA-N 0 0 230.760 3.857 20 0 BHADRN COCC[C@H](C)Sc1cccc(Cl)c1 ZINC000447346828 388065180 /nfs/dbraw/zinc/06/51/80/388065180.db2.gz HJAJNHUCUIFGSJ-VIFPVBQESA-N 0 0 230.760 3.857 20 0 BHADRN COCC[C@@H](C)Sc1cccc(C)c1 ZINC000447347620 388065642 /nfs/dbraw/zinc/06/56/42/388065642.db2.gz MMVBDHWUUCPPHC-LLVKDONJSA-N 0 0 210.342 3.512 20 0 BHADRN COCC[C@H](C)Sc1cccc(C)c1 ZINC000447347621 388065679 /nfs/dbraw/zinc/06/56/79/388065679.db2.gz MMVBDHWUUCPPHC-NSHDSACASA-N 0 0 210.342 3.512 20 0 BHADRN COCC[C@@H](C)Sc1ccc(F)c(Cl)c1 ZINC000447348597 388065144 /nfs/dbraw/zinc/06/51/44/388065144.db2.gz CCZARARAKSEPTE-MRVPVSSYSA-N 0 0 248.750 3.996 20 0 BHADRN COCC[C@H](C)Sc1ccc(F)c(Cl)c1 ZINC000447348598 388065176 /nfs/dbraw/zinc/06/51/76/388065176.db2.gz CCZARARAKSEPTE-QMMMGPOBSA-N 0 0 248.750 3.996 20 0 BHADRN COCC[C@@H](C)Sc1ccc2c(c1)CCC2 ZINC000447348915 388065216 /nfs/dbraw/zinc/06/52/16/388065216.db2.gz DDXZMKXSADDHIX-LLVKDONJSA-N 0 0 236.380 3.692 20 0 BHADRN COCC[C@H](C)Sc1ccc2c(c1)CCC2 ZINC000447348917 388065981 /nfs/dbraw/zinc/06/59/81/388065981.db2.gz DDXZMKXSADDHIX-NSHDSACASA-N 0 0 236.380 3.692 20 0 BHADRN Cc1cc(C)cc(CSCC2(C)COC2)c1 ZINC000447352239 388066033 /nfs/dbraw/zinc/06/60/33/388066033.db2.gz YHILDROWZYIVGU-UHFFFAOYSA-N 0 0 236.380 3.573 20 0 BHADRN CC(=O)[C@@H](C)SCCCC1CCCC1 ZINC000447352332 388066045 /nfs/dbraw/zinc/06/60/45/388066045.db2.gz ZKYPYSLRGOSNMF-LLVKDONJSA-N 0 0 214.374 3.668 20 0 BHADRN CC(=O)[C@H](C)SCCCC1CCCC1 ZINC000447352333 388065906 /nfs/dbraw/zinc/06/59/06/388065906.db2.gz ZKYPYSLRGOSNMF-NSHDSACASA-N 0 0 214.374 3.668 20 0 BHADRN COCC[C@@H](C)Sc1ccccc1C ZINC000447354339 388065416 /nfs/dbraw/zinc/06/54/16/388065416.db2.gz KZRDWZFQEZRAOB-LLVKDONJSA-N 0 0 210.342 3.512 20 0 BHADRN COCC[C@H](C)Sc1ccccc1C ZINC000447354340 388066079 /nfs/dbraw/zinc/06/60/79/388066079.db2.gz KZRDWZFQEZRAOB-NSHDSACASA-N 0 0 210.342 3.512 20 0 BHADRN COc1ncccc1CSc1cccc(F)c1 ZINC000447355684 388065312 /nfs/dbraw/zinc/06/53/12/388065312.db2.gz PYKZPXBRVBHGKD-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN COCC[C@@H](C)Sc1ccc(C)c(C)c1 ZINC000447357047 388065109 /nfs/dbraw/zinc/06/51/09/388065109.db2.gz FCTPVRRQOLZVFD-GFCCVEGCSA-N 0 0 224.369 3.821 20 0 BHADRN COCC[C@H](C)Sc1ccc(C)c(C)c1 ZINC000447357054 388065835 /nfs/dbraw/zinc/06/58/35/388065835.db2.gz FCTPVRRQOLZVFD-LBPRGKRZSA-N 0 0 224.369 3.821 20 0 BHADRN COC(=O)C[C@@H](C)SCCCC1CCCC1 ZINC000447359384 388065892 /nfs/dbraw/zinc/06/58/92/388065892.db2.gz PBGKDRSELIQWEW-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN COC(=O)C[C@H](C)SCCCC1CCCC1 ZINC000447359385 388066021 /nfs/dbraw/zinc/06/60/21/388066021.db2.gz PBGKDRSELIQWEW-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN COCC[C@@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000447359565 388065750 /nfs/dbraw/zinc/06/57/50/388065750.db2.gz MXWUBFQSXMOKTE-SECBINFHSA-N 0 0 248.244 3.509 20 0 BHADRN COCC[C@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000447359566 388066109 /nfs/dbraw/zinc/06/61/09/388066109.db2.gz MXWUBFQSXMOKTE-VIFPVBQESA-N 0 0 248.244 3.509 20 0 BHADRN CCC(CC)SCc1cccnc1OC ZINC000447359575 388066094 /nfs/dbraw/zinc/06/60/94/388066094.db2.gz NDMJDNPQZNBONR-UHFFFAOYSA-N 0 0 225.357 3.512 20 0 BHADRN COCC[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000447361426 388066869 /nfs/dbraw/zinc/06/68/69/388066869.db2.gz XRVSEUCMLPYVMI-MRVPVSSYSA-N 0 0 249.137 3.797 20 0 BHADRN COCC[C@H](C)Oc1cccc(Cl)c1Cl ZINC000447361427 388067748 /nfs/dbraw/zinc/06/77/48/388067748.db2.gz XRVSEUCMLPYVMI-QMMMGPOBSA-N 0 0 249.137 3.797 20 0 BHADRN COCC[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000447361474 388065503 /nfs/dbraw/zinc/06/55/03/388065503.db2.gz YDOPDMFQKVSFRX-MRVPVSSYSA-N 0 0 249.137 3.797 20 0 BHADRN COCC[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000447361475 388065139 /nfs/dbraw/zinc/06/51/39/388065139.db2.gz YDOPDMFQKVSFRX-QMMMGPOBSA-N 0 0 249.137 3.797 20 0 BHADRN COCC[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000447361822 388067534 /nfs/dbraw/zinc/06/75/34/388067534.db2.gz BSHLRNIRWDZRNU-MRVPVSSYSA-N 0 0 249.137 3.797 20 0 BHADRN COCC[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000447361823 388067215 /nfs/dbraw/zinc/06/72/15/388067215.db2.gz BSHLRNIRWDZRNU-QMMMGPOBSA-N 0 0 249.137 3.797 20 0 BHADRN Cc1csc(COc2c(C)ccc(C)c2C)n1 ZINC000447362596 388066572 /nfs/dbraw/zinc/06/65/72/388066572.db2.gz GHIKARNDGOGHMG-UHFFFAOYSA-N 0 0 247.363 3.956 20 0 BHADRN COCC[C@@H](C)Sc1cc(C)ccc1C ZINC000447364771 388067511 /nfs/dbraw/zinc/06/75/11/388067511.db2.gz ORDYEESBIXHBAC-GFCCVEGCSA-N 0 0 224.369 3.821 20 0 BHADRN COCC[C@H](C)Sc1cc(C)ccc1C ZINC000447364772 388067075 /nfs/dbraw/zinc/06/70/75/388067075.db2.gz ORDYEESBIXHBAC-LBPRGKRZSA-N 0 0 224.369 3.821 20 0 BHADRN COCC[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000447365187 388067700 /nfs/dbraw/zinc/06/77/00/388067700.db2.gz PJDNCWRVBGMYJO-MRVPVSSYSA-N 0 0 249.137 3.797 20 0 BHADRN COCC[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000447365188 388066851 /nfs/dbraw/zinc/06/68/51/388066851.db2.gz PJDNCWRVBGMYJO-QMMMGPOBSA-N 0 0 249.137 3.797 20 0 BHADRN Cc1csc(COc2cc(C)cc(C)c2C)n1 ZINC000447367404 388066502 /nfs/dbraw/zinc/06/65/02/388066502.db2.gz VEPUQHYQXSPXGU-UHFFFAOYSA-N 0 0 247.363 3.956 20 0 BHADRN COCC[C@@H](C)Sc1ccc(C)cc1C ZINC000447367421 388066586 /nfs/dbraw/zinc/06/65/86/388066586.db2.gz VLUNUNXXOJOVNR-GFCCVEGCSA-N 0 0 224.369 3.821 20 0 BHADRN COCC[C@H](C)Sc1ccc(C)cc1C ZINC000447367422 388067997 /nfs/dbraw/zinc/06/79/97/388067997.db2.gz VLUNUNXXOJOVNR-LBPRGKRZSA-N 0 0 224.369 3.821 20 0 BHADRN C(/C=C/c1ccncc1)=C\c1nc2ccccc2o1 ZINC000447367907 388067705 /nfs/dbraw/zinc/06/77/05/388067705.db2.gz XLDJHPSARLDCOY-LZSLGQGWSA-N 0 0 248.285 3.949 20 0 BHADRN C(=C/c1nc2ccccc2o1)\C=C/c1ccncc1 ZINC000447367913 388066713 /nfs/dbraw/zinc/06/67/13/388066713.db2.gz XLDJHPSARLDCOY-QRYPCPAXSA-N 0 0 248.285 3.949 20 0 BHADRN C(/C=C\c1ccncc1)=C/c1nc2ccccc2o1 ZINC000447367914 388067645 /nfs/dbraw/zinc/06/76/45/388067645.db2.gz XLDJHPSARLDCOY-SLVYULFGSA-N 0 0 248.285 3.949 20 0 BHADRN C(=C/c1ccncc1)\C=C/c1nc2ccccc2o1 ZINC000447367916 388067530 /nfs/dbraw/zinc/06/75/30/388067530.db2.gz XLDJHPSARLDCOY-UJURIKRHSA-N 0 0 248.285 3.949 20 0 BHADRN CC(C)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447385234 388066825 /nfs/dbraw/zinc/06/68/25/388066825.db2.gz OACQLRCBMAYGBR-UHFFFAOYSA-N 0 0 248.757 3.519 20 0 BHADRN COCCN(c1ccsc1)C1CCCCC1 ZINC000447385322 388067547 /nfs/dbraw/zinc/06/75/47/388067547.db2.gz OOLYEXSHPUBODB-UHFFFAOYSA-N 0 0 239.384 3.534 20 0 BHADRN FCCN(c1ccsc1)C1CCCCC1 ZINC000447385565 388067939 /nfs/dbraw/zinc/06/79/39/388067939.db2.gz OIQIKYYXASXBAA-UHFFFAOYSA-N 0 0 227.348 3.857 20 0 BHADRN CCCN1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447386639 388067806 /nfs/dbraw/zinc/06/78/06/388067806.db2.gz QUANQFUHNDCVAS-UHFFFAOYSA-N 0 0 248.757 3.520 20 0 BHADRN CC(C)[C@H]1CN(CCCF)c2ccccc21 ZINC000447399351 388069199 /nfs/dbraw/zinc/06/91/99/388069199.db2.gz XEDHERKSKCXPSW-CYBMUJFWSA-N 0 0 221.319 3.606 20 0 BHADRN CC(C)[C@@H]1CN(CCCF)c2ccccc21 ZINC000447399352 388069157 /nfs/dbraw/zinc/06/91/57/388069157.db2.gz XEDHERKSKCXPSW-ZDUSSCGKSA-N 0 0 221.319 3.606 20 0 BHADRN CC/C=C\CCOc1cccc(CCOC)c1 ZINC000447404563 388070449 /nfs/dbraw/zinc/07/04/49/388070449.db2.gz KMLRHGQAVKYVNE-PLNGDYQASA-N 0 0 234.339 3.611 20 0 BHADRN CC/C=C/CCOc1cccc(CCOC)c1 ZINC000447404564 388070031 /nfs/dbraw/zinc/07/00/31/388070031.db2.gz KMLRHGQAVKYVNE-SNAWJCMRSA-N 0 0 234.339 3.611 20 0 BHADRN CCCC(C)(C)CC(=O)N(C(C)C)C(C)C ZINC000447417028 388071088 /nfs/dbraw/zinc/07/10/88/388071088.db2.gz FWKZCMJTYOCXTJ-UHFFFAOYSA-N 0 0 227.392 3.848 20 0 BHADRN CCN(C(=O)[C@H]1CCCCC1(C)C)C1CCC1 ZINC000447516489 388075491 /nfs/dbraw/zinc/07/54/91/388075491.db2.gz OMTCCMCHIMMGSJ-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)[C@@H]1CCCCC1(C)C)C1CCC1 ZINC000447516490 388075772 /nfs/dbraw/zinc/07/57/72/388075772.db2.gz OMTCCMCHIMMGSJ-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H](Nc1cnn(C2CCCC2)c1C)C1CC1 ZINC000447576091 201723475 /nfs/dbraw/zinc/72/34/75/201723475.db2.gz ALKHFVHNGDRGOU-AWEZNQCLSA-N 0 0 247.386 3.907 20 0 BHADRN CC[C@@H](Nc1cnn(C2CCCC2)c1C)C1CC1 ZINC000447576094 388080173 /nfs/dbraw/zinc/08/01/73/388080173.db2.gz ALKHFVHNGDRGOU-CQSZACIVSA-N 0 0 247.386 3.907 20 0 BHADRN Cc1ccc(F)c([C@H](C)[C@H](C)c2ccnn2C)c1 ZINC000447584473 388080961 /nfs/dbraw/zinc/08/09/61/388080961.db2.gz FXIXLHGHRBTFNR-NEPJUHHUSA-N 0 0 246.329 3.775 20 0 BHADRN Cc1ccc(F)c([C@@H](C)[C@@H](C)c2ccnn2C)c1 ZINC000447584474 388080564 /nfs/dbraw/zinc/08/05/64/388080564.db2.gz FXIXLHGHRBTFNR-NWDGAFQWSA-N 0 0 246.329 3.775 20 0 BHADRN Cc1ccc(F)c([C@@H](C)[C@H](C)c2ccnn2C)c1 ZINC000447584475 201726094 /nfs/dbraw/zinc/72/60/94/201726094.db2.gz FXIXLHGHRBTFNR-RYUDHWBXSA-N 0 0 246.329 3.775 20 0 BHADRN Cc1ccc(F)c([C@H](C)[C@@H](C)c2ccnn2C)c1 ZINC000447584476 388081007 /nfs/dbraw/zinc/08/10/07/388081007.db2.gz FXIXLHGHRBTFNR-VXGBXAGGSA-N 0 0 246.329 3.775 20 0 BHADRN CC[C@H](N[C@H](C)c1cc(C)oc1C)C(F)(F)F ZINC000447599953 388081833 /nfs/dbraw/zinc/08/18/33/388081833.db2.gz LAUGBDFHDZYADR-KCJUWKMLSA-N 0 0 249.276 3.888 20 0 BHADRN CC[C@H](N[C@@H](C)c1cc(C)oc1C)C(F)(F)F ZINC000447599954 388082073 /nfs/dbraw/zinc/08/20/73/388082073.db2.gz LAUGBDFHDZYADR-KWQFWETISA-N 0 0 249.276 3.888 20 0 BHADRN CC[C@H](N[C@@H]1CCCc2occc21)C(F)(F)F ZINC000447604007 388081567 /nfs/dbraw/zinc/08/15/67/388081567.db2.gz YFDQTNFVPIZGOQ-KOLCDFICSA-N 0 0 247.260 3.588 20 0 BHADRN CC[C@H](N[C@H]1CCCc2occc21)C(F)(F)F ZINC000447604010 388081480 /nfs/dbraw/zinc/08/14/80/388081480.db2.gz YFDQTNFVPIZGOQ-ONGXEEELSA-N 0 0 247.260 3.588 20 0 BHADRN CC1(C(=O)Nc2ccc3cc[nH]c3c2)CCCC1 ZINC000447642202 388084872 /nfs/dbraw/zinc/08/48/72/388084872.db2.gz BZOLNSJQCBBRTR-UHFFFAOYSA-N 0 0 242.322 3.687 20 0 BHADRN CC(C)C(C)(C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000447643099 388084907 /nfs/dbraw/zinc/08/49/07/388084907.db2.gz FWWMBYKMRLJKKU-UHFFFAOYSA-N 0 0 244.338 3.789 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc2cc[nH]c2c1 ZINC000447643113 388084446 /nfs/dbraw/zinc/08/44/46/388084446.db2.gz GEJMBMCPIVIPJS-JTQLQIEISA-N 0 0 230.311 3.543 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc2cc[nH]c2c1 ZINC000447643114 388084945 /nfs/dbraw/zinc/08/49/45/388084945.db2.gz GEJMBMCPIVIPJS-SNVBAGLBSA-N 0 0 230.311 3.543 20 0 BHADRN C[C@H]1CCC[C@@H]1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000447643679 388084567 /nfs/dbraw/zinc/08/45/67/388084567.db2.gz PPEJUFIFZATPER-GWCFXTLKSA-N 0 0 242.322 3.543 20 0 BHADRN C[C@H]1CCC[C@H]1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000447643680 388084519 /nfs/dbraw/zinc/08/45/19/388084519.db2.gz PPEJUFIFZATPER-GXFFZTMASA-N 0 0 242.322 3.543 20 0 BHADRN C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000447643681 388084930 /nfs/dbraw/zinc/08/49/30/388084930.db2.gz PPEJUFIFZATPER-MFKMUULPSA-N 0 0 242.322 3.543 20 0 BHADRN C[C@@H]1CCC[C@H]1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000447643682 388084972 /nfs/dbraw/zinc/08/49/72/388084972.db2.gz PPEJUFIFZATPER-ZWNOBZJWSA-N 0 0 242.322 3.543 20 0 BHADRN CC(C)(C)CCC(=O)Nc1ccc2cc[nH]c2c1 ZINC000447644107 201731089 /nfs/dbraw/zinc/73/10/89/201731089.db2.gz PFKJRNRRKIJZIL-UHFFFAOYSA-N 0 0 244.338 3.933 20 0 BHADRN C[C@@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)(C)C ZINC000447645170 388085577 /nfs/dbraw/zinc/08/55/77/388085577.db2.gz CINOELKRGSVIIS-JTQLQIEISA-N 0 0 244.338 3.789 20 0 BHADRN C[C@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)(C)C ZINC000447645171 388085571 /nfs/dbraw/zinc/08/55/71/388085571.db2.gz CINOELKRGSVIIS-SNVBAGLBSA-N 0 0 244.338 3.789 20 0 BHADRN C[C@H]1CC[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000447646180 388085642 /nfs/dbraw/zinc/08/56/42/388085642.db2.gz OCVLDPBCPDFTFV-CMPLNLGQSA-N 0 0 242.322 3.543 20 0 BHADRN C[C@H]1CC[C@H](C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000447646181 388085559 /nfs/dbraw/zinc/08/55/59/388085559.db2.gz OCVLDPBCPDFTFV-JQWIXIFHSA-N 0 0 242.322 3.543 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000447646182 388085508 /nfs/dbraw/zinc/08/55/08/388085508.db2.gz OCVLDPBCPDFTFV-PWSUYJOCSA-N 0 0 242.322 3.543 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000447646183 388085698 /nfs/dbraw/zinc/08/56/98/388085698.db2.gz OCVLDPBCPDFTFV-ZYHUDNBSSA-N 0 0 242.322 3.543 20 0 BHADRN CCCC1(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000447646578 388085590 /nfs/dbraw/zinc/08/55/90/388085590.db2.gz SFBFRJXVAROIKV-UHFFFAOYSA-N 0 0 242.322 3.687 20 0 BHADRN CCC(C)(C)CC(=O)Nc1ccc2cc[nH]c2c1 ZINC000447647617 388085625 /nfs/dbraw/zinc/08/56/25/388085625.db2.gz YHHOCKIPXJVEKE-UHFFFAOYSA-N 0 0 244.338 3.933 20 0 BHADRN Cc1ccnc(N[C@@H](C)CC2CCCCC2)n1 ZINC000447668217 201732598 /nfs/dbraw/zinc/73/25/98/201732598.db2.gz GMTURCKDFGTSFA-LBPRGKRZSA-N 0 0 233.359 3.556 20 0 BHADRN Cc1cc(N[C@@H](C)CC2CCCCC2)ncn1 ZINC000447670253 201731382 /nfs/dbraw/zinc/73/13/82/201731382.db2.gz LZXNPGFLXDZGPX-LBPRGKRZSA-N 0 0 233.359 3.556 20 0 BHADRN Cc1cnc(N[C@@H](C)CC2CCCCC2)nc1 ZINC000447674618 201732101 /nfs/dbraw/zinc/73/21/01/201732101.db2.gz FJHFQWJHVYGOSY-LBPRGKRZSA-N 0 0 233.359 3.556 20 0 BHADRN Cc1cncc(N[C@@H](C)CC2CCCCC2)n1 ZINC000447683288 388086861 /nfs/dbraw/zinc/08/68/61/388086861.db2.gz OPGMVPNGVGSHDN-NSHDSACASA-N 0 0 233.359 3.556 20 0 BHADRN CC(C)=CCSc1ncnc2c(F)cccc12 ZINC000447687876 201731578 /nfs/dbraw/zinc/73/15/78/201731578.db2.gz FCMJXURZGLQJPV-UHFFFAOYSA-N 0 0 248.326 3.827 20 0 BHADRN CC(C)=CCSc1ncnc2cccc(C)c21 ZINC000447688008 388086948 /nfs/dbraw/zinc/08/69/48/388086948.db2.gz 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CC(C)=CCSc1ncnc2cccc(F)c21 ZINC000447695070 388086771 /nfs/dbraw/zinc/08/67/71/388086771.db2.gz VMUKYIAJHRUIIV-UHFFFAOYSA-N 0 0 248.326 3.827 20 0 BHADRN CC1(CNc2cccc(-c3cc[nH]n3)c2)CCC1 ZINC000447705722 537953567 /nfs/dbraw/zinc/95/35/67/537953567.db2.gz DJGMBJMLQJXCTI-UHFFFAOYSA-N 0 0 241.338 3.679 20 0 BHADRN CC(=O)Nc1ccc(C)c(NCC2(C)CCC2)c1 ZINC000447725148 537955841 /nfs/dbraw/zinc/95/58/41/537955841.db2.gz ZNIFQWODXUMOGL-UHFFFAOYSA-N 0 0 246.354 3.556 20 0 BHADRN COc1cc(CNc2cccc(C)c2)ccc1C ZINC000447726455 388089748 /nfs/dbraw/zinc/08/97/48/388089748.db2.gz FWDFUYVFJSOZML-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN CC(=O)Nc1cccc(NCC2(C)CCC2)c1C ZINC000447726480 537956122 /nfs/dbraw/zinc/95/61/22/537956122.db2.gz GYNROYJNQBJHFO-UHFFFAOYSA-N 0 0 246.354 3.556 20 0 BHADRN COc1cc(CNc2ccccc2C)ccc1C ZINC000447729935 388089318 /nfs/dbraw/zinc/08/93/18/388089318.db2.gz PVUSSAWNXFCJNZ-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1cc(CNc2ccc(C)cc2)ccc1C ZINC000447730827 388089386 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239.727 3.684 20 0 BHADRN Cc1ccccc1OCCCC1CCOCC1 ZINC000447776622 388091158 /nfs/dbraw/zinc/09/11/58/388091158.db2.gz LOQAGDZXUXCABF-UHFFFAOYSA-N 0 0 234.339 3.581 20 0 BHADRN Cc1cccc(OCC[C@H]2CCCO2)c1Cl ZINC000447776864 537959062 /nfs/dbraw/zinc/95/90/62/537959062.db2.gz KCVYZINMPLINER-LLVKDONJSA-N 0 0 240.730 3.596 20 0 BHADRN Cc1cccc(OCC[C@@H]2CCCO2)c1Cl ZINC000447776867 537959108 /nfs/dbraw/zinc/95/91/08/537959108.db2.gz KCVYZINMPLINER-NSHDSACASA-N 0 0 240.730 3.596 20 0 BHADRN Cc1cccc(OCCCC2CCOCC2)c1 ZINC000447777179 388091274 /nfs/dbraw/zinc/09/12/74/388091274.db2.gz NABGTSSVGIJDRG-UHFFFAOYSA-N 0 0 234.339 3.581 20 0 BHADRN Cc1cc(C)cc(OCCCC2CCOCC2)c1 ZINC000447777502 388091360 /nfs/dbraw/zinc/09/13/60/388091360.db2.gz FYOOEEJPKMGELN-UHFFFAOYSA-N 0 0 248.366 3.889 20 0 BHADRN CCc1cccc(OCCCC2CCOCC2)c1 ZINC000447777715 388091570 /nfs/dbraw/zinc/09/15/70/388091570.db2.gz GUUFWUSCXJJDAM-UHFFFAOYSA-N 0 0 248.366 3.835 20 0 BHADRN Cc1ccc(C)c(OCCCC2CCOCC2)c1 ZINC000447778431 388091849 /nfs/dbraw/zinc/09/18/49/388091849.db2.gz JKPOYIJCBJQXKF-UHFFFAOYSA-N 0 0 248.366 3.889 20 0 BHADRN Cc1cccc(OCc2ccccn2)c1Cl ZINC000447778601 537960665 /nfs/dbraw/zinc/96/06/65/537960665.db2.gz QLTFDMKQIKSQQF-UHFFFAOYSA-N 0 0 233.698 3.622 20 0 BHADRN Cc1cccc(OCCC(F)(F)F)c1Cl ZINC000447778744 537959574 /nfs/dbraw/zinc/95/95/74/537959574.db2.gz KUHKABTXQKOPLJ-UHFFFAOYSA-N 0 0 238.636 3.980 20 0 BHADRN COCCCCCOc1cccc(C)c1Cl ZINC000447778745 537960197 /nfs/dbraw/zinc/96/01/97/537960197.db2.gz KVJFKZYVBKTJBY-UHFFFAOYSA-N 0 0 242.746 3.844 20 0 BHADRN Cc1ccc(OCCCC2CCOCC2)cc1 ZINC000447779095 388092919 /nfs/dbraw/zinc/09/29/19/388092919.db2.gz SBEKPFUTCAYCBR-UHFFFAOYSA-N 0 0 234.339 3.581 20 0 BHADRN Cc1ccc(OCCCC2CCOCC2)cc1C ZINC000447779574 388092388 /nfs/dbraw/zinc/09/23/88/388092388.db2.gz NCNAAIYZHDJRAO-UHFFFAOYSA-N 0 0 248.366 3.889 20 0 BHADRN c1csc(-c2cccc(OCC3CC3)c2)n1 ZINC000447779718 388092304 /nfs/dbraw/zinc/09/23/04/388092304.db2.gz USDIYMPCSKGNQA-UHFFFAOYSA-N 0 0 231.320 3.599 20 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/nfs/dbraw/zinc/09/27/19/388092719.db2.gz XPLXJYOAEMDYOL-UHFFFAOYSA-N 0 0 248.366 3.889 20 0 BHADRN COC(C)(C)CCOc1cccc(C)c1Cl ZINC000447791276 537960085 /nfs/dbraw/zinc/96/00/85/537960085.db2.gz IBAHAVWMPBNJEK-UHFFFAOYSA-N 0 0 242.746 3.842 20 0 BHADRN Cc1cccc(OCCOC(C)(C)C)c1Cl ZINC000447792255 537959506 /nfs/dbraw/zinc/95/95/06/537959506.db2.gz SXQFOQCYFGQHBO-UHFFFAOYSA-N 0 0 242.746 3.842 20 0 BHADRN c1csc(-c2cccc(OCC3CCC3)c2)n1 ZINC000447792924 388092933 /nfs/dbraw/zinc/09/29/33/388092933.db2.gz BEAFJHZTWKGKRF-UHFFFAOYSA-N 0 0 245.347 3.989 20 0 BHADRN Cc1cc(COc2cccc(C)c2Cl)no1 ZINC000447792940 537959247 /nfs/dbraw/zinc/95/92/47/537959247.db2.gz BIOIAPBFFFHQOG-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN Cc1cccc(OCc2cccnc2)c1Cl ZINC000447794578 537960313 /nfs/dbraw/zinc/96/03/13/537960313.db2.gz KWGLUXBRHBGAJG-UHFFFAOYSA-N 0 0 233.698 3.622 20 0 BHADRN CC(C)COc1cccc(-c2nccs2)c1 ZINC000447796041 388092836 /nfs/dbraw/zinc/09/28/36/388092836.db2.gz TVIYWYZZQSTJEL-UHFFFAOYSA-N 0 0 233.336 3.845 20 0 BHADRN c1csc(-c2cccc(OCCC3CC3)c2)n1 ZINC000447797194 388092550 /nfs/dbraw/zinc/09/25/50/388092550.db2.gz GVCWESZYGXGSET-UHFFFAOYSA-N 0 0 245.347 3.989 20 0 BHADRN CCCOc1cccc(-c2nccs2)c1 ZINC000447797690 388093543 /nfs/dbraw/zinc/09/35/43/388093543.db2.gz MPMMLLCJSDBNDA-UHFFFAOYSA-N 0 0 219.309 3.599 20 0 BHADRN Cc1cccc(C)c1NCCCC1CCOCC1 ZINC000447803794 388094278 /nfs/dbraw/zinc/09/42/78/388094278.db2.gz UPYCNBRPEPOWBO-UHFFFAOYSA-N 0 0 247.382 3.922 20 0 BHADRN CCC(C)(C)c1ccc(N[C@H](C)COC)cc1 ZINC000447867379 388099523 /nfs/dbraw/zinc/09/95/23/388099523.db2.gz DCIQDYIENZPSPD-GFCCVEGCSA-N 0 0 235.371 3.821 20 0 BHADRN CCC(C)(C)c1ccc(N[C@@H](C)COC)cc1 ZINC000447867380 388099374 /nfs/dbraw/zinc/09/93/74/388099374.db2.gz DCIQDYIENZPSPD-LBPRGKRZSA-N 0 0 235.371 3.821 20 0 BHADRN CNc1cnn(-c2ccccc2Cl)c1C(C)C ZINC000447885241 388100514 /nfs/dbraw/zinc/10/05/14/388100514.db2.gz FCCAMUNKXAVSDE-UHFFFAOYSA-N 0 0 249.745 3.691 20 0 BHADRN CCc1c(NC(C)C)cnn1-c1cccc(C)c1 ZINC000447887672 201744225 /nfs/dbraw/zinc/74/42/25/201744225.db2.gz FSUZVFCNGMEZGC-UHFFFAOYSA-N 0 0 243.354 3.563 20 0 BHADRN CCC(C)(C)c1ccc(NCCC(C)(C)O)cc1 ZINC000447888671 201744563 /nfs/dbraw/zinc/74/45/63/201744563.db2.gz LRIIOENGGYUTQX-UHFFFAOYSA-N 0 0 249.398 3.947 20 0 BHADRN CC(C)Cn1ncc(NCC2CCC2)c1C(C)C ZINC000447889865 388099849 /nfs/dbraw/zinc/09/98/49/388099849.db2.gz JJOBDBKRHOZEBZ-UHFFFAOYSA-N 0 0 249.402 3.875 20 0 BHADRN CC[C@@H](C)CNc1cccc2c1OCC[C@H]2OC ZINC000447891869 201744627 /nfs/dbraw/zinc/74/46/27/201744627.db2.gz SHLRNGQDTUBMGI-BXUZGUMPSA-N 0 0 249.354 3.615 20 0 BHADRN CC[C@H](C)CNc1cccc2c1OCC[C@@H]2OC ZINC000447891870 201745029 /nfs/dbraw/zinc/74/50/29/201745029.db2.gz SHLRNGQDTUBMGI-FZMZJTMJSA-N 0 0 249.354 3.615 20 0 BHADRN CC[C@@H](C)CNc1cccc2c1OCC[C@@H]2OC ZINC000447891871 201744917 /nfs/dbraw/zinc/74/49/17/201744917.db2.gz SHLRNGQDTUBMGI-RISCZKNCSA-N 0 0 249.354 3.615 20 0 BHADRN CC[C@H](C)CNc1cccc2c1OCC[C@H]2OC ZINC000447891872 388101034 /nfs/dbraw/zinc/10/10/34/388101034.db2.gz SHLRNGQDTUBMGI-SMDDNHRTSA-N 0 0 249.354 3.615 20 0 BHADRN COc1cc(NCC2CC2)ccc1C(F)(F)F ZINC000447892857 388100735 /nfs/dbraw/zinc/10/07/35/388100735.db2.gz XJRAZBDDIVKJAR-UHFFFAOYSA-N 0 0 245.244 3.536 20 0 BHADRN CCNc1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000447892897 388101292 /nfs/dbraw/zinc/10/12/92/388101292.db2.gz XSVGTDBMPWNBKF-UHFFFAOYSA-N 0 0 243.354 3.736 20 0 BHADRN C(CSCCC1CC1)CC1CCOCC1 ZINC000447926065 388103629 /nfs/dbraw/zinc/10/36/29/388103629.db2.gz LHDKGJPEXZKUCH-UHFFFAOYSA-N 0 0 228.401 3.727 20 0 BHADRN CSCCCSCCCC1CCOCC1 ZINC000447930126 388104820 /nfs/dbraw/zinc/10/48/20/388104820.db2.gz VOOOGYQPMHMYEY-UHFFFAOYSA-N 0 0 248.457 3.680 20 0 BHADRN CCC(C)(C)c1ccc(N[C@H]2CCOC2)cc1 ZINC000447965976 388105309 /nfs/dbraw/zinc/10/53/09/388105309.db2.gz JKUYORHTUHJACA-AWEZNQCLSA-N 0 0 233.355 3.575 20 0 BHADRN CCC(C)(C)c1ccc(N[C@@H]2CCOC2)cc1 ZINC000447965977 388105652 /nfs/dbraw/zinc/10/56/52/388105652.db2.gz JKUYORHTUHJACA-CQSZACIVSA-N 0 0 233.355 3.575 20 0 BHADRN CCC(C)(C)c1ccc(NCc2ncc[nH]2)cc1 ZINC000447967415 388105510 /nfs/dbraw/zinc/10/55/10/388105510.db2.gz MTQIKNPZOYGTKE-UHFFFAOYSA-N 0 0 243.354 3.709 20 0 BHADRN CCC(C)(C)c1ccc(NCc2cocn2)cc1 ZINC000447970210 388106528 /nfs/dbraw/zinc/10/65/28/388106528.db2.gz BRXBQCCVZZZQFJ-UHFFFAOYSA-N 0 0 244.338 3.974 20 0 BHADRN CCC(C)(C)c1ccc(NCc2cc[nH]n2)cc1 ZINC000447971053 388107006 /nfs/dbraw/zinc/10/70/06/388107006.db2.gz IDHWINJGIWCEAL-UHFFFAOYSA-N 0 0 243.354 3.709 20 0 BHADRN CCC(C)(C)c1ccc(N[C@H]2CCO[C@@H]2C)cc1 ZINC000447971924 388107151 /nfs/dbraw/zinc/10/71/51/388107151.db2.gz NOOWWKQPYDOJNK-DOMZBBRYSA-N 0 0 247.382 3.964 20 0 BHADRN CCC(C)(C)c1ccc(N[C@@H]2CCO[C@@H]2C)cc1 ZINC000447971925 201753149 /nfs/dbraw/zinc/75/31/49/201753149.db2.gz NOOWWKQPYDOJNK-IUODEOHRSA-N 0 0 247.382 3.964 20 0 BHADRN CCC(C)(C)c1ccc(N[C@@H]2CCO[C@H]2C)cc1 ZINC000447971926 388106588 /nfs/dbraw/zinc/10/65/88/388106588.db2.gz NOOWWKQPYDOJNK-SWLSCSKDSA-N 0 0 247.382 3.964 20 0 BHADRN CCC(C)(C)c1ccc(N[C@H]2CCO[C@H]2C)cc1 ZINC000447971927 388106486 /nfs/dbraw/zinc/10/64/86/388106486.db2.gz NOOWWKQPYDOJNK-WFASDCNBSA-N 0 0 247.382 3.964 20 0 BHADRN CCC(C)(C)c1ccc(N[C@H]2CCCOC2)cc1 ZINC000448021703 537955136 /nfs/dbraw/zinc/95/51/36/537955136.db2.gz KCJCNUKLNPXPBA-HNNXBMFYSA-N 0 0 247.382 3.965 20 0 BHADRN CCC(C)(C)c1ccc(N[C@@H]2CCCOC2)cc1 ZINC000448021704 537955923 /nfs/dbraw/zinc/95/59/23/537955923.db2.gz KCJCNUKLNPXPBA-OAHLLOKOSA-N 0 0 247.382 3.965 20 0 BHADRN CO[C@@H]1CCOc2c(N[C@H](C)C(C)C)cccc21 ZINC000448024294 384486948 /nfs/dbraw/zinc/48/69/48/384486948.db2.gz XMUYVBHUSNLWRW-BXUZGUMPSA-N 0 0 249.354 3.613 20 0 BHADRN CO[C@H]1CCOc2c(N[C@@H](C)C(C)C)cccc21 ZINC000448024295 384486895 /nfs/dbraw/zinc/48/68/95/384486895.db2.gz XMUYVBHUSNLWRW-FZMZJTMJSA-N 0 0 249.354 3.613 20 0 BHADRN CO[C@H]1CCOc2c(N[C@H](C)C(C)C)cccc21 ZINC000448024296 384486919 /nfs/dbraw/zinc/48/69/19/384486919.db2.gz XMUYVBHUSNLWRW-RISCZKNCSA-N 0 0 249.354 3.613 20 0 BHADRN CO[C@@H]1CCOc2c(N[C@@H](C)C(C)C)cccc21 ZINC000448024297 384486887 /nfs/dbraw/zinc/48/68/87/384486887.db2.gz XMUYVBHUSNLWRW-SMDDNHRTSA-N 0 0 249.354 3.613 20 0 BHADRN CCC(C)(C)c1ccc(NC2CCOCC2)cc1 ZINC000448024661 384489987 /nfs/dbraw/zinc/48/99/87/384489987.db2.gz ZQOKWYSAQGNLAW-UHFFFAOYSA-N 0 0 247.382 3.965 20 0 BHADRN CCC(CC)Nc1cccc2c1OCC[C@@H]2OC ZINC000448027396 200681196 /nfs/dbraw/zinc/68/11/96/200681196.db2.gz MTSHBZJQNAFMDZ-AWEZNQCLSA-N 0 0 249.354 3.757 20 0 BHADRN CCC(CC)Nc1cccc2c1OCC[C@H]2OC ZINC000448027397 384525877 /nfs/dbraw/zinc/52/58/77/384525877.db2.gz MTSHBZJQNAFMDZ-CQSZACIVSA-N 0 0 249.354 3.757 20 0 BHADRN CCC[C@@H](C)Nc1cccc2c1OCC[C@H]2OC ZINC000448033919 205485538 /nfs/dbraw/zinc/48/55/38/205485538.db2.gz ZHRSDZMCTSHWHC-BXUZGUMPSA-N 0 0 249.354 3.757 20 0 BHADRN CCC[C@H](C)Nc1cccc2c1OCC[C@@H]2OC ZINC000448033922 383833854 /nfs/dbraw/zinc/83/38/54/383833854.db2.gz ZHRSDZMCTSHWHC-FZMZJTMJSA-N 0 0 249.354 3.757 20 0 BHADRN CCC[C@@H](C)Nc1cccc2c1OCC[C@@H]2OC ZINC000448033925 383838216 /nfs/dbraw/zinc/83/82/16/383838216.db2.gz ZHRSDZMCTSHWHC-RISCZKNCSA-N 0 0 249.354 3.757 20 0 BHADRN CCC[C@H](C)Nc1cccc2c1OCC[C@H]2OC ZINC000448033927 383836699 /nfs/dbraw/zinc/83/66/99/383836699.db2.gz ZHRSDZMCTSHWHC-SMDDNHRTSA-N 0 0 249.354 3.757 20 0 BHADRN c1cc(SCCC2CCCC2)ccn1 ZINC000448102556 385147883 /nfs/dbraw/zinc/14/78/83/385147883.db2.gz WVTDBRXGPAWLFB-UHFFFAOYSA-N 0 0 207.342 3.754 20 0 BHADRN CCNC(=O)Nc1ccc(C(C)(C)CC)cc1 ZINC000448118555 385208857 /nfs/dbraw/zinc/20/88/57/385208857.db2.gz HFQCDOIGGVCBND-UHFFFAOYSA-N 0 0 234.343 3.516 20 0 BHADRN CCC(C)(C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000448122002 385221143 /nfs/dbraw/zinc/22/11/43/385221143.db2.gz KPMSHNJUIYYPDX-UHFFFAOYSA-N 0 0 248.370 3.904 20 0 BHADRN CCCN(CC1CC1)c1nc2cc(F)ccc2o1 ZINC000448126638 385238158 /nfs/dbraw/zinc/23/81/58/385238158.db2.gz CQWDLQQDGJOEJM-UHFFFAOYSA-N 0 0 248.301 3.593 20 0 BHADRN CCCC1(C(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000448140240 384238578 /nfs/dbraw/zinc/23/85/78/384238578.db2.gz UNKPTHUWUNYZTD-CYBMUJFWSA-N 0 0 245.366 3.786 20 0 BHADRN CCCC1(C(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000448140241 205503918 /nfs/dbraw/zinc/50/39/18/205503918.db2.gz UNKPTHUWUNYZTD-ZDUSSCGKSA-N 0 0 245.366 3.786 20 0 BHADRN CCCCN(C)Cc1ncc(C(C)(C)C)s1 ZINC000448216805 384926967 /nfs/dbraw/zinc/92/69/67/384926967.db2.gz GUTJINOEKDJMPW-UHFFFAOYSA-N 0 0 240.416 3.673 20 0 BHADRN CCCCC(=O)Nc1c(C)c(F)ccc1Cl ZINC000448515554 201160511 /nfs/dbraw/zinc/16/05/11/201160511.db2.gz RDPIQARKLCVXGB-UHFFFAOYSA-N 0 0 243.709 3.916 20 0 BHADRN CC(C)CC(CC(C)C)C(=O)N1CCCCC1 ZINC000448553452 201251576 /nfs/dbraw/zinc/25/15/76/201251576.db2.gz BGLOBEDFEFGNMP-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H](NC(=O)[C@@]1(C)CC=CCC1)c1ccccc1 ZINC000448553970 201253681 /nfs/dbraw/zinc/25/36/81/201253681.db2.gz FCJAFNBFBLNVPY-BBRMVZONSA-N 0 0 243.350 3.610 20 0 BHADRN C[C@@H](NC(=O)[C@@]1(C)CC=CCC1)c1ccccc1 ZINC000448553971 201253909 /nfs/dbraw/zinc/25/39/09/201253909.db2.gz FCJAFNBFBLNVPY-CJNGLKHVSA-N 0 0 243.350 3.610 20 0 BHADRN C[C@@H](NC(=O)[C@]1(C)CC=CCC1)c1ccccc1 ZINC000448553972 201251800 /nfs/dbraw/zinc/25/18/00/201251800.db2.gz FCJAFNBFBLNVPY-CZUORRHYSA-N 0 0 243.350 3.610 20 0 BHADRN C[C@H](NC(=O)[C@]1(C)CC=CCC1)c1ccccc1 ZINC000448553973 201252294 /nfs/dbraw/zinc/25/22/94/201252294.db2.gz FCJAFNBFBLNVPY-XJKSGUPXSA-N 0 0 243.350 3.610 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)CCCC(C)C ZINC000448553995 201252483 /nfs/dbraw/zinc/25/24/83/201252483.db2.gz FGHKKZAXYMNICP-CYBMUJFWSA-N 0 0 225.376 3.604 20 0 BHADRN CC[C@H]1CCCCN1C(=O)CCCC(C)C ZINC000448553996 201251711 /nfs/dbraw/zinc/25/17/11/201251711.db2.gz FGHKKZAXYMNICP-ZDUSSCGKSA-N 0 0 225.376 3.604 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC ZINC000448554146 201253742 /nfs/dbraw/zinc/25/37/42/201253742.db2.gz FRLXVJHKIPHSBY-HZSPNIEDSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC ZINC000448554147 201253806 /nfs/dbraw/zinc/25/38/06/201253806.db2.gz FRLXVJHKIPHSBY-MCIONIFRSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC ZINC000448554152 201251528 /nfs/dbraw/zinc/25/15/28/201251528.db2.gz FRLXVJHKIPHSBY-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC ZINC000448554153 201252339 /nfs/dbraw/zinc/25/23/39/201252339.db2.gz FRLXVJHKIPHSBY-RDBSUJKOSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc(C)c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000448554353 201254829 /nfs/dbraw/zinc/25/48/29/201254829.db2.gz JNKXCCLGLGPTEC-MELADBBJSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(C)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000448554354 201255255 /nfs/dbraw/zinc/25/52/55/201255255.db2.gz JNKXCCLGLGPTEC-RDBSUJKOSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000448554614 201257399 /nfs/dbraw/zinc/25/73/99/201257399.db2.gz LUHGOVSOZDQHJC-INIZCTEOSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@]2(C)CC=CCC2)c1 ZINC000448554617 201256979 /nfs/dbraw/zinc/25/69/79/201256979.db2.gz LUHGOVSOZDQHJC-MRXNPFEDSA-N 0 0 243.350 3.988 20 0 BHADRN C[C@]1(C(=O)Nc2ccc(F)cc2)CC=CCC1 ZINC000448555650 201261784 /nfs/dbraw/zinc/26/17/84/201261784.db2.gz BTYQIEGGWCMZDU-AWEZNQCLSA-N 0 0 233.286 3.511 20 0 BHADRN C[C@@]1(C(=O)Nc2ccc(F)cc2)CC=CCC1 ZINC000448555651 201260870 /nfs/dbraw/zinc/26/08/70/201260870.db2.gz BTYQIEGGWCMZDU-CQSZACIVSA-N 0 0 233.286 3.511 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1C ZINC000448556024 201261305 /nfs/dbraw/zinc/26/13/05/201261305.db2.gz CWZXFRRMKLNFGH-IPYPFGDCSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)cc1C ZINC000448556025 201260986 /nfs/dbraw/zinc/26/09/86/201260986.db2.gz CWZXFRRMKLNFGH-KCQAQPDRSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccccc1NC(=O)CCCC(C)C ZINC000448556367 201263305 /nfs/dbraw/zinc/26/33/05/201263305.db2.gz FDHQBKASHIMDFE-UHFFFAOYSA-N 0 0 219.328 3.760 20 0 BHADRN Cc1ccccc1NC(=O)C(C)(C)C1CCC1 ZINC000448556372 201263562 /nfs/dbraw/zinc/26/35/62/201263562.db2.gz FEJPAHAVFXSWQE-UHFFFAOYSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1cccc(NC(=O)[C@@]2(C)CC=CCC2)c1C ZINC000448556421 201263281 /nfs/dbraw/zinc/26/32/81/201263281.db2.gz FMNQPAKLYWKRHI-INIZCTEOSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1cccc(NC(=O)[C@]2(C)CC=CCC2)c1C ZINC000448556422 201263074 /nfs/dbraw/zinc/26/30/74/201263074.db2.gz FMNQPAKLYWKRHI-MRXNPFEDSA-N 0 0 243.350 3.988 20 0 BHADRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc(Cl)cc1 ZINC000448556749 201262567 /nfs/dbraw/zinc/26/25/67/201262567.db2.gz GVEDANQSAGUVNF-NRUUGDAUSA-N 0 0 249.741 3.715 20 0 BHADRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc(Cl)cc1 ZINC000448556750 201263426 /nfs/dbraw/zinc/26/34/26/201263426.db2.gz GVEDANQSAGUVNF-OUJBWJOFSA-N 0 0 249.741 3.715 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1 ZINC000448556803 201263434 /nfs/dbraw/zinc/26/34/34/201263434.db2.gz OMTPGUHISVGIJV-CABCVRRESA-N 0 0 245.366 3.519 20 0 BHADRN CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1 ZINC000448556804 201262765 /nfs/dbraw/zinc/26/27/65/201262765.db2.gz OMTPGUHISVGIJV-GJZGRUSLSA-N 0 0 245.366 3.519 20 0 BHADRN CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1 ZINC000448556805 201263712 /nfs/dbraw/zinc/26/37/12/201263712.db2.gz OMTPGUHISVGIJV-HUUCEWRRSA-N 0 0 245.366 3.519 20 0 BHADRN CCC[C@H]1CCC[C@H]1C(=O)NCc1ccccc1 ZINC000448556806 201262326 /nfs/dbraw/zinc/26/23/26/201262326.db2.gz OMTPGUHISVGIJV-LSDHHAIUSA-N 0 0 245.366 3.519 20 0 BHADRN Cc1ccc(NC(=O)[C@@]2(C)CC=CCC2)cc1 ZINC000448556822 201263670 /nfs/dbraw/zinc/26/36/70/201263670.db2.gz HDZPZXPNRPLMGQ-HNNXBMFYSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1ccc(NC(=O)[C@]2(C)CC=CCC2)cc1 ZINC000448556825 201263717 /nfs/dbraw/zinc/26/37/17/201263717.db2.gz HDZPZXPNRPLMGQ-OAHLLOKOSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1ccc(NC(=O)C(C)(C)C2CCC2)cc1 ZINC000448556984 201263833 /nfs/dbraw/zinc/26/38/33/201263833.db2.gz HURCYRFPRBSOGZ-UHFFFAOYSA-N 0 0 231.339 3.760 20 0 BHADRN CC(C)(C(=O)Nc1ccc(F)cc1)C1CCC1 ZINC000448557013 201263119 /nfs/dbraw/zinc/26/31/19/201263119.db2.gz ICOLOUGUFMXUHY-UHFFFAOYSA-N 0 0 235.302 3.591 20 0 BHADRN Cc1ccc(NC(=O)[C@@]2(C)CC=CCC2)c(C)c1 ZINC000448557306 201264122 /nfs/dbraw/zinc/26/41/22/201264122.db2.gz IPTYMLGUYBGIBH-INIZCTEOSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1ccc(NC(=O)[C@]2(C)CC=CCC2)c(C)c1 ZINC000448557307 201263986 /nfs/dbraw/zinc/26/39/86/201263986.db2.gz IPTYMLGUYBGIBH-MRXNPFEDSA-N 0 0 243.350 3.988 20 0 BHADRN C[C@@H](NC(=O)C(C)(C)C1CCC1)c1ccccc1 ZINC000448557364 201262884 /nfs/dbraw/zinc/26/28/84/201262884.db2.gz QXOGBZBSYHGWGX-GFCCVEGCSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@H](NC(=O)C(C)(C)C1CCC1)c1ccccc1 ZINC000448557367 201262270 /nfs/dbraw/zinc/26/22/70/201262270.db2.gz QXOGBZBSYHGWGX-LBPRGKRZSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000448557471 201263612 /nfs/dbraw/zinc/26/36/12/201263612.db2.gz RDLFVAGZXRQRMI-GUTXKFCHSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000448557473 201263327 /nfs/dbraw/zinc/26/33/27/201263327.db2.gz RDLFVAGZXRQRMI-GZBFAFLISA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000448557476 201263901 /nfs/dbraw/zinc/26/39/01/201263901.db2.gz RDLFVAGZXRQRMI-NFAWXSAZSA-N 0 0 245.366 3.690 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000448557478 201263141 /nfs/dbraw/zinc/26/31/41/201263141.db2.gz RDLFVAGZXRQRMI-UMVBOHGHSA-N 0 0 245.366 3.690 20 0 BHADRN Cc1cccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1C ZINC000448557565 201262962 /nfs/dbraw/zinc/26/29/62/201262962.db2.gz JZQZSLRXYNNDDW-MELADBBJSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1cccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1C ZINC000448557566 201263330 /nfs/dbraw/zinc/26/33/30/201263330.db2.gz JZQZSLRXYNNDDW-RDBSUJKOSA-N 0 0 243.350 3.678 20 0 BHADRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccccc1Cl ZINC000448557836 201266549 /nfs/dbraw/zinc/26/65/49/201266549.db2.gz KYSNMBZRNZQKKS-GARJFASQSA-N 0 0 249.741 3.715 20 0 BHADRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccccc1Cl ZINC000448557838 201265180 /nfs/dbraw/zinc/26/51/80/201265180.db2.gz KYSNMBZRNZQKKS-VWYCJHECSA-N 0 0 249.741 3.715 20 0 BHADRN Cc1cccc(NC(=O)C(C)(C)C(C)(F)F)c1 ZINC000448557877 201265718 /nfs/dbraw/zinc/26/57/18/201265718.db2.gz LGWQWYVHMSHMBR-UHFFFAOYSA-N 0 0 241.281 3.615 20 0 BHADRN CCCCCNC(=O)c1c(C)cccc1Cl ZINC000448557975 201266574 /nfs/dbraw/zinc/26/65/74/201266574.db2.gz SPCWWLDCDLHSCO-UHFFFAOYSA-N 0 0 239.746 3.568 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c(C)c1 ZINC000448558444 201268670 /nfs/dbraw/zinc/26/86/70/201268670.db2.gz NQMZGYGTBCWKAO-MELADBBJSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c(C)c1 ZINC000448558445 201268893 /nfs/dbraw/zinc/26/88/93/201268893.db2.gz NQMZGYGTBCWKAO-RDBSUJKOSA-N 0 0 243.350 3.678 20 0 BHADRN C[C@]1(C(=O)Nc2cccc(F)c2)CC=CCC1 ZINC000448558468 201268171 /nfs/dbraw/zinc/26/81/71/201268171.db2.gz NUXYFICTNZDXTH-AWEZNQCLSA-N 0 0 233.286 3.511 20 0 BHADRN C[C@@]1(C(=O)Nc2cccc(F)c2)CC=CCC1 ZINC000448558469 201268615 /nfs/dbraw/zinc/26/86/15/201268615.db2.gz NUXYFICTNZDXTH-CQSZACIVSA-N 0 0 233.286 3.511 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1C ZINC000448558509 201268449 /nfs/dbraw/zinc/26/84/49/201268449.db2.gz OHGGCINDHFYNLZ-CHWSQXEVSA-N 0 0 231.339 3.760 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1C ZINC000448558510 201267104 /nfs/dbraw/zinc/26/71/04/201267104.db2.gz OHGGCINDHFYNLZ-OLZOCXBDSA-N 0 0 231.339 3.760 20 0 BHADRN CC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1C ZINC000448558511 201267754 /nfs/dbraw/zinc/26/77/54/201267754.db2.gz OHGGCINDHFYNLZ-QWHCGFSZSA-N 0 0 231.339 3.760 20 0 BHADRN CC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1C ZINC000448558512 201267073 /nfs/dbraw/zinc/26/70/73/201267073.db2.gz OHGGCINDHFYNLZ-STQMWFEESA-N 0 0 231.339 3.760 20 0 BHADRN CCC[C@H]1CCC[C@@H]1C(=O)N1CCCCCC1 ZINC000448558593 201267602 /nfs/dbraw/zinc/26/76/02/201267602.db2.gz USBFXFFORGQYKF-KBPBESRZSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1C(=O)N1CCCCCC1 ZINC000448558594 201267707 /nfs/dbraw/zinc/26/77/07/201267707.db2.gz USBFXFFORGQYKF-KGLIPLIRSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@H]1CCC[C@H]1C(=O)N1CCCCCC1 ZINC000448558595 201267982 /nfs/dbraw/zinc/26/79/82/201267982.db2.gz USBFXFFORGQYKF-UONOGXRCSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@@H]1CCC[C@H]1C(=O)N1CCCCCC1 ZINC000448558596 201267491 /nfs/dbraw/zinc/26/74/91/201267491.db2.gz USBFXFFORGQYKF-ZIAGYGMSSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000448558678 201267197 /nfs/dbraw/zinc/26/71/97/201267197.db2.gz OOZISJZQZYWELJ-BXUZGUMPSA-N 0 0 247.338 3.547 20 0 BHADRN CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000448558680 201268400 /nfs/dbraw/zinc/26/84/00/201268400.db2.gz OOZISJZQZYWELJ-FZMZJTMJSA-N 0 0 247.338 3.547 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000448558681 201266975 /nfs/dbraw/zinc/26/69/75/201266975.db2.gz OOZISJZQZYWELJ-RISCZKNCSA-N 0 0 247.338 3.547 20 0 BHADRN CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000448558682 201267519 /nfs/dbraw/zinc/26/75/19/201267519.db2.gz OOZISJZQZYWELJ-SMDDNHRTSA-N 0 0 247.338 3.547 20 0 BHADRN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000448558893 201268006 /nfs/dbraw/zinc/26/80/06/201268006.db2.gz WMTBHWHZYHNNDP-BPLDGKMQSA-N 0 0 245.366 3.546 20 0 BHADRN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000448558894 201267972 /nfs/dbraw/zinc/26/79/72/201267972.db2.gz WMTBHWHZYHNNDP-NWANDNLSSA-N 0 0 245.366 3.546 20 0 BHADRN Cc1ccccc1NC(=O)[C@@]1(C)CC=CCC1 ZINC000448559056 201267538 /nfs/dbraw/zinc/26/75/38/201267538.db2.gz RIFREIYPXIJJSR-HNNXBMFYSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1ccccc1NC(=O)[C@]1(C)CC=CCC1 ZINC000448559057 201266832 /nfs/dbraw/zinc/26/68/32/201266832.db2.gz RIFREIYPXIJJSR-OAHLLOKOSA-N 0 0 229.323 3.680 20 0 BHADRN C[C@H](NC(=O)[C@]1(C)CCC[C@H]1C)c1ccccc1 ZINC000448559145 201267349 /nfs/dbraw/zinc/26/73/49/201267349.db2.gz XUFAVFHHDBZXNK-DVOMOZLQSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@H](NC(=O)[C@]1(C)CCC[C@@H]1C)c1ccccc1 ZINC000448559146 201267712 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ZINC000448568691 201308589 /nfs/dbraw/zinc/30/85/89/201308589.db2.gz KKVVONRIIPOPLE-CXTNEJHOSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000448568692 201308714 /nfs/dbraw/zinc/30/87/14/201308714.db2.gz KKVVONRIIPOPLE-GUIRCDHDSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000448568693 201309054 /nfs/dbraw/zinc/30/90/54/201309054.db2.gz KKVVONRIIPOPLE-OSFYFWSMSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000448568694 201309540 /nfs/dbraw/zinc/30/95/40/201309540.db2.gz KKVVONRIIPOPLE-UKTARXLSSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000448568894 201310313 /nfs/dbraw/zinc/31/03/13/201310313.db2.gz MJZQTTAPXCAXKV-CHWSQXEVSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCCC(=O)N[C@H]1CCCC[C@H]1C ZINC000448568895 201311231 /nfs/dbraw/zinc/31/12/31/201311231.db2.gz MJZQTTAPXCAXKV-OLZOCXBDSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000448568896 201311316 /nfs/dbraw/zinc/31/13/16/201311316.db2.gz MJZQTTAPXCAXKV-QWHCGFSZSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000448568897 201309927 /nfs/dbraw/zinc/30/99/27/201309927.db2.gz MJZQTTAPXCAXKV-STQMWFEESA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1C ZINC000448569032 201310618 /nfs/dbraw/zinc/31/06/18/201310618.db2.gz NSMWXUUORCYHEY-MWLCHTKSSA-N 0 0 237.730 3.633 20 0 BHADRN Cc1cc(F)ccc1NC(=O)C(C)(C)C1CCC1 ZINC000448570900 201318655 /nfs/dbraw/zinc/31/86/55/201318655.db2.gz FDRJKYNTMZVMOM-UHFFFAOYSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@]1(C)CC=CCC1 ZINC000448573110 201327132 /nfs/dbraw/zinc/32/71/32/201327132.db2.gz LBEZXGOBYZAINV-HNNXBMFYSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@]1(C)CC=CCC1 ZINC000448573111 201327677 /nfs/dbraw/zinc/32/76/77/201327677.db2.gz LBEZXGOBYZAINV-OAHLLOKOSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cc(F)ccc1NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000448573757 201332360 /nfs/dbraw/zinc/33/23/60/201332360.db2.gz NGNONYDWWUNXKD-GMXVVIOVSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cc(F)ccc1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000448573759 201332180 /nfs/dbraw/zinc/33/21/80/201332180.db2.gz NGNONYDWWUNXKD-MDZLAQPJSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cc(F)ccc1NC(=O)CCCC(C)C ZINC000448573996 201330841 /nfs/dbraw/zinc/33/08/41/201330841.db2.gz OJXVGXXBHLJDAT-UHFFFAOYSA-N 0 0 237.318 3.899 20 0 BHADRN Cc1ccccc1CN(C)C(=O)CCCC(C)C ZINC000448574178 201331906 /nfs/dbraw/zinc/33/19/06/201331906.db2.gz UEFCEQFVKBCOPH-UHFFFAOYSA-N 0 0 247.382 3.780 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@]1(C)CCC[C@H]1C ZINC000448574426 201332350 /nfs/dbraw/zinc/33/23/50/201332350.db2.gz PVENPYGVOKMVCC-ABAIWWIYSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@]1(C)CCC[C@H]1C ZINC000448574427 201332141 /nfs/dbraw/zinc/33/21/41/201332141.db2.gz PVENPYGVOKMVCC-IAQYHMDHSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000448574428 201330426 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Cc1cccc(CN(C)CCC(F)(F)F)c1F ZINC000449020265 397950716 /nfs/dbraw/zinc/95/07/16/397950716.db2.gz PXHYNFIQPDUDKH-UHFFFAOYSA-N 0 0 249.251 3.518 20 0 BHADRN Cc1cc(CN2Cc3ccccc3C2)cs1 ZINC000449022881 388131728 /nfs/dbraw/zinc/13/17/28/388131728.db2.gz LJYPNKGTSPMBOZ-UHFFFAOYSA-N 0 0 229.348 3.572 20 0 BHADRN CC(C)c1ccc(NCc2ccncc2F)cc1 ZINC000449038880 201795969 /nfs/dbraw/zinc/79/59/69/201795969.db2.gz AVZDYKOVAYCJIP-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccccc1NC1CCC(COC)CC1 ZINC000449039422 201794255 /nfs/dbraw/zinc/79/42/55/201794255.db2.gz CAEFKTIOTDYMBX-UHFFFAOYSA-N 0 0 247.382 3.866 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N1CCC[C@H](C)C1 ZINC000449039579 388134416 /nfs/dbraw/zinc/13/44/16/388134416.db2.gz CDEIYNIRRNYQNZ-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N1CCC[C@@H](C)C1 ZINC000449039581 201794758 /nfs/dbraw/zinc/79/47/58/201794758.db2.gz CDEIYNIRRNYQNZ-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N1CCC[C@H](C)C1 ZINC000449039583 201794792 /nfs/dbraw/zinc/79/47/92/201794792.db2.gz CDEIYNIRRNYQNZ-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N1CCC[C@@H](C)C1 ZINC000449039585 388133867 /nfs/dbraw/zinc/13/38/67/388133867.db2.gz CDEIYNIRRNYQNZ-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN COCC1CCC(Nc2ccc(C)c(C)c2)CC1 ZINC000449039759 201794540 /nfs/dbraw/zinc/79/45/40/201794540.db2.gz DUOXGZRLNTVDHR-UHFFFAOYSA-N 0 0 247.382 3.921 20 0 BHADRN Cc1cccc(N[C@H](C)Cc2ccoc2)c1 ZINC000449040326 201794708 /nfs/dbraw/zinc/79/47/08/201794708.db2.gz HQBRNQHMERHMPI-GFCCVEGCSA-N 0 0 215.296 3.631 20 0 BHADRN Cc1cccc(N[C@@H](C)Cc2ccoc2)c1 ZINC000449040327 388134627 /nfs/dbraw/zinc/13/46/27/388134627.db2.gz HQBRNQHMERHMPI-LBPRGKRZSA-N 0 0 215.296 3.631 20 0 BHADRN CCc1ccc(NC2CCC(COC)CC2)cc1 ZINC000449040943 388133956 /nfs/dbraw/zinc/13/39/56/388133956.db2.gz KMHKPDKYINHNQO-UHFFFAOYSA-N 0 0 247.382 3.866 20 0 BHADRN CCOc1cccc(N[C@H](C)Cc2ccoc2)c1 ZINC000449041377 388135068 /nfs/dbraw/zinc/13/50/68/388135068.db2.gz MULNWTHXGULXHD-GFCCVEGCSA-N 0 0 245.322 3.721 20 0 BHADRN CCOc1cccc(N[C@@H](C)Cc2ccoc2)c1 ZINC000449041378 201794381 /nfs/dbraw/zinc/79/43/81/201794381.db2.gz MULNWTHXGULXHD-LBPRGKRZSA-N 0 0 245.322 3.721 20 0 BHADRN COCC1CCC(Nc2cccc(C)c2C)CC1 ZINC000449041488 201794009 /nfs/dbraw/zinc/79/40/09/201794009.db2.gz NAZIOTCBXDEKPR-UHFFFAOYSA-N 0 0 247.382 3.921 20 0 BHADRN CCCc1ccccc1NCc1ccncc1F ZINC000449041968 398272114 /nfs/dbraw/zinc/27/21/14/398272114.db2.gz POJRGZRDLTVVFO-UHFFFAOYSA-N 0 0 244.313 3.785 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N(C)Cc1ccccc1 ZINC000449042076 201795208 /nfs/dbraw/zinc/79/52/08/201795208.db2.gz PYCNXBLBPWMEEB-HNNXBMFYSA-N 0 0 247.382 3.717 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N(C)Cc1ccccc1 ZINC000449042077 388135322 /nfs/dbraw/zinc/13/53/22/388135322.db2.gz PYCNXBLBPWMEEB-OAHLLOKOSA-N 0 0 247.382 3.717 20 0 BHADRN COCC1CCC(Nc2cc(C)cc(C)c2)CC1 ZINC000449042098 201796136 /nfs/dbraw/zinc/79/61/36/201796136.db2.gz PXPIKKQXOMLPFN-UHFFFAOYSA-N 0 0 247.382 3.921 20 0 BHADRN CC(C)c1cccc(NCc2ccncc2F)c1 ZINC000449042344 398272487 /nfs/dbraw/zinc/27/24/87/398272487.db2.gz RKLFFECVPMDCMK-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N(C)c1ccccc1 ZINC000449042403 388134944 /nfs/dbraw/zinc/13/49/44/388134944.db2.gz RGCOGJKGPWMZEW-CYBMUJFWSA-N 0 0 233.355 3.722 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N(C)c1ccccc1 ZINC000449042404 388135388 /nfs/dbraw/zinc/13/53/88/388135388.db2.gz RGCOGJKGPWMZEW-ZDUSSCGKSA-N 0 0 233.355 3.722 20 0 BHADRN Cc1ccccc1N[C@H](C)Cc1ccoc1 ZINC000449042531 388135114 /nfs/dbraw/zinc/13/51/14/388135114.db2.gz SKNWBMWBYSDRGP-GFCCVEGCSA-N 0 0 215.296 3.631 20 0 BHADRN Cc1ccccc1N[C@@H](C)Cc1ccoc1 ZINC000449042532 388135076 /nfs/dbraw/zinc/13/50/76/388135076.db2.gz SKNWBMWBYSDRGP-LBPRGKRZSA-N 0 0 215.296 3.631 20 0 BHADRN CCOc1ccccc1N[C@H](C)Cc1ccoc1 ZINC000449042607 201795294 /nfs/dbraw/zinc/79/52/94/201795294.db2.gz SHLIEWFLAHXGBO-GFCCVEGCSA-N 0 0 245.322 3.721 20 0 BHADRN CCOc1ccccc1N[C@@H](C)Cc1ccoc1 ZINC000449042608 388135208 /nfs/dbraw/zinc/13/52/08/388135208.db2.gz SHLIEWFLAHXGBO-LBPRGKRZSA-N 0 0 245.322 3.721 20 0 BHADRN CCc1cccc(NC2CCC(COC)CC2)c1 ZINC000449042925 388135411 /nfs/dbraw/zinc/13/54/11/388135411.db2.gz VFJWSSBMALCQTL-UHFFFAOYSA-N 0 0 247.382 3.866 20 0 BHADRN Cc1ccc(N[C@H](C)Cc2ccoc2)cc1 ZINC000449043378 201795914 /nfs/dbraw/zinc/79/59/14/201795914.db2.gz XUGIWGKOGBKKEY-GFCCVEGCSA-N 0 0 215.296 3.631 20 0 BHADRN Cc1ccc(N[C@@H](C)Cc2ccoc2)cc1 ZINC000449043379 388135371 /nfs/dbraw/zinc/13/53/71/388135371.db2.gz XUGIWGKOGBKKEY-LBPRGKRZSA-N 0 0 215.296 3.631 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000449044904 388134971 /nfs/dbraw/zinc/13/49/71/388134971.db2.gz CVIDNKAPDYEUKP-HZSPNIEDSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000449044905 388134794 /nfs/dbraw/zinc/13/47/94/388134794.db2.gz CVIDNKAPDYEUKP-MELADBBJSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000449044906 388135424 /nfs/dbraw/zinc/13/54/24/388135424.db2.gz CVIDNKAPDYEUKP-MGPQQGTHSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000449044907 201795647 /nfs/dbraw/zinc/79/56/47/201795647.db2.gz CVIDNKAPDYEUKP-MJBXVCDLSA-N 0 0 239.403 3.563 20 0 BHADRN COCC1CCC(Nc2ccc(C)cc2C)CC1 ZINC000449045557 388134925 /nfs/dbraw/zinc/13/49/25/388134925.db2.gz HFULVURIOGLRIR-UHFFFAOYSA-N 0 0 247.382 3.921 20 0 BHADRN Cc1cc(CN(CC(F)F)C(C)C)cs1 ZINC000449045845 388135044 /nfs/dbraw/zinc/13/50/44/388135044.db2.gz JGHMJFWSRIHSJN-UHFFFAOYSA-N 0 0 233.327 3.532 20 0 BHADRN CC[C@H](CC(C)C)C(=O)Nc1ccccc1F ZINC000449045956 201797793 /nfs/dbraw/zinc/79/77/93/201797793.db2.gz JLILWTCTSQLXBE-LLVKDONJSA-N 0 0 237.318 3.837 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)Nc1ccccc1F ZINC000449045957 388134933 /nfs/dbraw/zinc/13/49/33/388134933.db2.gz JLILWTCTSQLXBE-NSHDSACASA-N 0 0 237.318 3.837 20 0 BHADRN COc1ccc(C)cc1N[C@H](C)Cc1ccoc1 ZINC000449046601 388135665 /nfs/dbraw/zinc/13/56/65/388135665.db2.gz MXIZSLJWBPCGJY-GFCCVEGCSA-N 0 0 245.322 3.640 20 0 BHADRN COc1ccc(C)cc1N[C@@H](C)Cc1ccoc1 ZINC000449046602 388136164 /nfs/dbraw/zinc/13/61/64/388136164.db2.gz MXIZSLJWBPCGJY-LBPRGKRZSA-N 0 0 245.322 3.640 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N1CCC(C)CC1 ZINC000449048354 201797515 /nfs/dbraw/zinc/79/75/15/201797515.db2.gz FKNOSOAGWORWPY-AWEZNQCLSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N1CCC(C)CC1 ZINC000449048355 201797801 /nfs/dbraw/zinc/79/78/01/201797801.db2.gz FKNOSOAGWORWPY-CQSZACIVSA-N 0 0 239.403 3.707 20 0 BHADRN COCC1CCC(Nc2cc(C)ccc2C)CC1 ZINC000449048787 201798493 /nfs/dbraw/zinc/79/84/93/201798493.db2.gz WJTIWSUTPKKFQS-UHFFFAOYSA-N 0 0 247.382 3.921 20 0 BHADRN COc1cc(C)ccc1N[C@H](C)Cc1ccoc1 ZINC000449050999 201796841 /nfs/dbraw/zinc/79/68/41/201796841.db2.gz RTZGRSXPUZFRPO-GFCCVEGCSA-N 0 0 245.322 3.640 20 0 BHADRN COc1cc(C)ccc1N[C@@H](C)Cc1ccoc1 ZINC000449051100 388136281 /nfs/dbraw/zinc/13/62/81/388136281.db2.gz RTZGRSXPUZFRPO-LBPRGKRZSA-N 0 0 245.322 3.640 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000449057202 201797522 /nfs/dbraw/zinc/79/75/22/201797522.db2.gz AZKXPHPZEOBSQY-JTQLQIEISA-N 0 0 240.372 3.544 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000449057203 388136618 /nfs/dbraw/zinc/13/66/18/388136618.db2.gz AZKXPHPZEOBSQY-SNVBAGLBSA-N 0 0 240.372 3.544 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N1CCCC[C@@H]1C ZINC000449067564 201801085 /nfs/dbraw/zinc/80/10/85/201801085.db2.gz MOKCYVANWFFHLR-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N1CCCC[C@H]1C ZINC000449067565 388138558 /nfs/dbraw/zinc/13/85/58/388138558.db2.gz MOKCYVANWFFHLR-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N1CCCC[C@@H]1C ZINC000449067566 201802785 /nfs/dbraw/zinc/80/27/85/201802785.db2.gz MOKCYVANWFFHLR-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N1CCCC[C@H]1C ZINC000449067567 201802193 /nfs/dbraw/zinc/80/21/93/201802193.db2.gz MOKCYVANWFFHLR-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1ccnc(N[C@@H]2CCCC23CCC3)c1 ZINC000449085673 388140429 /nfs/dbraw/zinc/14/04/29/388140429.db2.gz ABOZRCXRQWTRCW-GFCCVEGCSA-N 0 0 216.328 3.525 20 0 BHADRN Cc1ccnc(N[C@H]2CCCC23CCC3)c1 ZINC000449085674 388140767 /nfs/dbraw/zinc/14/07/67/388140767.db2.gz ABOZRCXRQWTRCW-LBPRGKRZSA-N 0 0 216.328 3.525 20 0 BHADRN Cc1ccc(N[C@@H]2CCCC23CCC3)nc1 ZINC000449092172 201805248 /nfs/dbraw/zinc/80/52/48/201805248.db2.gz RZPSRRHUSAMQDX-GFCCVEGCSA-N 0 0 216.328 3.525 20 0 BHADRN Cc1ccc(N[C@H]2CCCC23CCC3)nc1 ZINC000449092173 388141480 /nfs/dbraw/zinc/14/14/80/388141480.db2.gz RZPSRRHUSAMQDX-LBPRGKRZSA-N 0 0 216.328 3.525 20 0 BHADRN CCC(CC)(CC)C[NH2+]Cc1ccncc1F ZINC000449182879 398281595 /nfs/dbraw/zinc/28/15/95/398281595.db2.gz DFEYPDHSRRFNKI-UHFFFAOYSA-N 0 0 238.350 3.527 20 0 BHADRN CCCC[C@@H](CCC)[NH2+]Cc1ccncc1F ZINC000449183885 398282001 /nfs/dbraw/zinc/28/20/01/398282001.db2.gz LTIFUIHKXBEGTD-CYBMUJFWSA-N 0 0 238.350 3.669 20 0 BHADRN CCCC[C@H](CCC)[NH2+]Cc1ccncc1F ZINC000449183886 398282019 /nfs/dbraw/zinc/28/20/19/398282019.db2.gz LTIFUIHKXBEGTD-ZDUSSCGKSA-N 0 0 238.350 3.669 20 0 BHADRN Cc1cc(CNc2cnn(C(C)(C)C)c2)cs1 ZINC000449206681 398283020 /nfs/dbraw/zinc/28/30/20/398283020.db2.gz AYZVOSMDLFDCKN-UHFFFAOYSA-N 0 0 249.383 3.620 20 0 BHADRN CCc1ccc(NCc2ccncc2F)cc1C ZINC000449210174 631308952 /nfs/dbraw/zinc/30/89/52/631308952.db2.gz GNSHQDLEIKHLJG-UHFFFAOYSA-N 0 0 244.313 3.704 20 0 BHADRN CC(C)(C)n1cc(N[C@@H]2CCCC23CCC3)cn1 ZINC000449221916 398284208 /nfs/dbraw/zinc/28/42/08/398284208.db2.gz KZTYNNNJDPHBQC-CYBMUJFWSA-N 0 0 247.386 3.773 20 0 BHADRN CC(C)(C)n1cc(N[C@H]2CCCC23CCC3)cn1 ZINC000449221919 398284354 /nfs/dbraw/zinc/28/43/54/398284354.db2.gz KZTYNNNJDPHBQC-ZDUSSCGKSA-N 0 0 247.386 3.773 20 0 BHADRN CCc1cccnc1NCc1csc(C)c1 ZINC000449222097 388159348 /nfs/dbraw/zinc/15/93/48/388159348.db2.gz LJGYOAQFQCLFHX-UHFFFAOYSA-N 0 0 232.352 3.626 20 0 BHADRN CCc1cc(NCc2ccncc2F)ccc1C ZINC000449227106 201841722 /nfs/dbraw/zinc/84/17/22/201841722.db2.gz OMGMPGSFNSZSDS-UHFFFAOYSA-N 0 0 244.313 3.704 20 0 BHADRN Cc1cc(CNc2ccnn2CC(C)C)cs1 ZINC000449227289 388159548 /nfs/dbraw/zinc/15/95/48/388159548.db2.gz ZXLKCGGZTFYSQY-UHFFFAOYSA-N 0 0 249.383 3.521 20 0 BHADRN C[C@@H]1C[C@@H](Nc2csc3ccccc23)[C@@H](C)O1 ZINC000449228075 541456869 /nfs/dbraw/zinc/45/68/69/541456869.db2.gz RZKRWCUUSALRLO-CKYFFXLPSA-N 0 0 247.363 3.879 20 0 BHADRN C[C@@H]1C[C@H](Nc2csc3ccccc23)[C@@H](C)O1 ZINC000449228076 541457024 /nfs/dbraw/zinc/45/70/24/541457024.db2.gz RZKRWCUUSALRLO-FOGDFJRCSA-N 0 0 247.363 3.879 20 0 BHADRN C[C@@H]1C[C@@H](Nc2csc3ccccc23)[C@H](C)O1 ZINC000449228077 541457091 /nfs/dbraw/zinc/45/70/91/541457091.db2.gz RZKRWCUUSALRLO-JFGNBEQYSA-N 0 0 247.363 3.879 20 0 BHADRN C[C@@H]1C[C@H](Nc2csc3ccccc23)[C@H](C)O1 ZINC000449228078 541456911 /nfs/dbraw/zinc/45/69/11/541456911.db2.gz RZKRWCUUSALRLO-SCVCMEIPSA-N 0 0 247.363 3.879 20 0 BHADRN Cc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)ccc1C1CC1 ZINC000449250478 388162319 /nfs/dbraw/zinc/16/23/19/388162319.db2.gz PBUHZGZVYGZITJ-BFQNTYOBSA-N 0 0 245.366 3.850 20 0 BHADRN Cc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)ccc1C1CC1 ZINC000449250479 388162960 /nfs/dbraw/zinc/16/29/60/388162960.db2.gz PBUHZGZVYGZITJ-HWWQOWPSSA-N 0 0 245.366 3.850 20 0 BHADRN Cc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)ccc1C1CC1 ZINC000449250480 388162424 /nfs/dbraw/zinc/16/24/24/388162424.db2.gz PBUHZGZVYGZITJ-MQIPJXDCSA-N 0 0 245.366 3.850 20 0 BHADRN Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1C1CC1 ZINC000449250481 201849551 /nfs/dbraw/zinc/84/95/51/201849551.db2.gz PBUHZGZVYGZITJ-XHBSWPGZSA-N 0 0 245.366 3.850 20 0 BHADRN Cc1c(N[C@H]2CCCC23CCCCC3)cnn1C ZINC000449253954 388163135 /nfs/dbraw/zinc/16/31/35/388163135.db2.gz VGDLNAJCHGBGMC-AWEZNQCLSA-N 0 0 247.386 3.643 20 0 BHADRN Cc1c(N[C@@H]2CCCC23CCCCC3)cnn1C ZINC000449253955 388163351 /nfs/dbraw/zinc/16/33/51/388163351.db2.gz VGDLNAJCHGBGMC-CQSZACIVSA-N 0 0 247.386 3.643 20 0 BHADRN CC[C@H](Nc1cnn([C@H](C)C2CC2)c1)C1CCC1 ZINC000449261313 201851908 /nfs/dbraw/zinc/85/19/08/201851908.db2.gz ZPIVDWRLMSDKCR-ABAIWWIYSA-N 0 0 247.386 3.845 20 0 BHADRN CC[C@@H](Nc1cnn([C@H](C)C2CC2)c1)C1CCC1 ZINC000449261314 201851248 /nfs/dbraw/zinc/85/12/48/201851248.db2.gz ZPIVDWRLMSDKCR-IAQYHMDHSA-N 0 0 247.386 3.845 20 0 BHADRN CC[C@H](Nc1cnn([C@@H](C)C2CC2)c1)C1CCC1 ZINC000449261315 397952990 /nfs/dbraw/zinc/95/29/90/397952990.db2.gz ZPIVDWRLMSDKCR-NHYWBVRUSA-N 0 0 247.386 3.845 20 0 BHADRN CC[C@@H](Nc1cnn([C@@H](C)C2CC2)c1)C1CCC1 ZINC000449261316 397953117 /nfs/dbraw/zinc/95/31/17/397953117.db2.gz ZPIVDWRLMSDKCR-XHDPSFHLSA-N 0 0 247.386 3.845 20 0 BHADRN C[C@@H]1CSC[C@H]1Nc1ccc2ccoc2c1 ZINC000449268712 388164851 /nfs/dbraw/zinc/16/48/51/388164851.db2.gz ISKLVCKFOVBOJF-BXKDBHETSA-N 0 0 233.336 3.596 20 0 BHADRN C[C@H]1CSC[C@@H]1Nc1ccc2ccoc2c1 ZINC000449268713 388165028 /nfs/dbraw/zinc/16/50/28/388165028.db2.gz ISKLVCKFOVBOJF-CABZTGNLSA-N 0 0 233.336 3.596 20 0 BHADRN C[C@H]1CSC[C@H]1Nc1ccc2ccoc2c1 ZINC000449268714 388164377 /nfs/dbraw/zinc/16/43/77/388164377.db2.gz ISKLVCKFOVBOJF-JOYOIKCWSA-N 0 0 233.336 3.596 20 0 BHADRN C[C@@H]1CSC[C@@H]1Nc1ccc2ccoc2c1 ZINC000449268715 201854270 /nfs/dbraw/zinc/85/42/70/201854270.db2.gz ISKLVCKFOVBOJF-SKDRFNHKSA-N 0 0 233.336 3.596 20 0 BHADRN CC[C@H](N[C@H](C)CC(C)(C)C)C(F)(F)F ZINC000449270991 388165591 /nfs/dbraw/zinc/16/55/91/388165591.db2.gz DXUOZJRTJLIUOS-BDAKNGLRSA-N 0 0 225.298 3.742 20 0 BHADRN CC[C@H](N[C@@H](C)CC(C)(C)C)C(F)(F)F ZINC000449270992 388166014 /nfs/dbraw/zinc/16/60/14/388166014.db2.gz DXUOZJRTJLIUOS-IUCAKERBSA-N 0 0 225.298 3.742 20 0 BHADRN CCN(Cc1ccncc1F)c1ccccc1C ZINC000449273537 388165111 /nfs/dbraw/zinc/16/51/11/388165111.db2.gz ZESGJFQGFSXXNO-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CC[C@H](NCc1cccc(C)c1F)C(F)(F)F ZINC000449273950 388165980 /nfs/dbraw/zinc/16/59/80/388165980.db2.gz ZDPOBOGDQKCADY-JTQLQIEISA-N 0 0 249.251 3.565 20 0 BHADRN CC1CN(Cc2cc(Cl)sc2Cl)C1 ZINC000449295102 388168936 /nfs/dbraw/zinc/16/89/36/388168936.db2.gz PQTNMHCXMQQQQG-UHFFFAOYSA-N 0 0 236.167 3.507 20 0 BHADRN Cc1cc(CNc2cccc3c2CCO3)cs1 ZINC000449303678 388169634 /nfs/dbraw/zinc/16/96/34/388169634.db2.gz XNJHZUBVUKRFFZ-UHFFFAOYSA-N 0 0 245.347 3.604 20 0 BHADRN Cc1cc(CN2CCCC[C@@H]2C(F)F)cs1 ZINC000449305282 388170957 /nfs/dbraw/zinc/17/09/57/388170957.db2.gz FUSAZHLGSBQONX-LLVKDONJSA-N 0 0 245.338 3.676 20 0 BHADRN Cc1cc(CN2CCCC[C@H]2C(F)F)cs1 ZINC000449305383 388170486 /nfs/dbraw/zinc/17/04/86/388170486.db2.gz FUSAZHLGSBQONX-NSHDSACASA-N 0 0 245.338 3.676 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc(F)c(C3CC3)c2)[C@@H](C)O1 ZINC000449305589 201862011 /nfs/dbraw/zinc/86/20/11/201862011.db2.gz SOEVCDKUZNLBPT-FCHSOHFDSA-N 0 0 249.329 3.681 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc(F)c(C3CC3)c2)[C@H](C)O1 ZINC000449305590 388170733 /nfs/dbraw/zinc/17/07/33/388170733.db2.gz SOEVCDKUZNLBPT-FTGAXOIBSA-N 0 0 249.329 3.681 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc(F)c(C3CC3)c2)[C@H](C)O1 ZINC000449305591 201862800 /nfs/dbraw/zinc/86/28/00/201862800.db2.gz SOEVCDKUZNLBPT-HFBDOXOYSA-N 0 0 249.329 3.681 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc(F)c(C3CC3)c2)[C@@H](C)O1 ZINC000449305592 388170377 /nfs/dbraw/zinc/17/03/77/388170377.db2.gz SOEVCDKUZNLBPT-IQMDTDKHSA-N 0 0 249.329 3.681 20 0 BHADRN C[C@H](CC(C)(C)C)N[C@H](C1CC1)C(F)(F)F ZINC000449327028 388173102 /nfs/dbraw/zinc/17/31/02/388173102.db2.gz BDPBTIFFMSXRBN-PSASIEDQSA-N 0 0 237.309 3.742 20 0 BHADRN C[C@H](CC(C)(C)C)N[C@@H](C1CC1)C(F)(F)F ZINC000449327029 388173052 /nfs/dbraw/zinc/17/30/52/388173052.db2.gz BDPBTIFFMSXRBN-SCZZXKLOSA-N 0 0 237.309 3.742 20 0 BHADRN C[C@@H](CC(C)(C)C)N[C@H](C1CC1)C(F)(F)F ZINC000449327030 201870679 /nfs/dbraw/zinc/87/06/79/201870679.db2.gz BDPBTIFFMSXRBN-WCBMZHEXSA-N 0 0 237.309 3.742 20 0 BHADRN C[C@@H](CC(C)(C)C)N[C@@H](C1CC1)C(F)(F)F ZINC000449327031 388173342 /nfs/dbraw/zinc/17/33/42/388173342.db2.gz BDPBTIFFMSXRBN-WPRPVWTQSA-N 0 0 237.309 3.742 20 0 BHADRN C/C=C\c1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000449332738 388174158 /nfs/dbraw/zinc/17/41/58/388174158.db2.gz SFWSHOYZQJCGLA-FXRHLDATSA-N 0 0 231.339 3.698 20 0 BHADRN C/C=C/c1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000449332739 388174318 /nfs/dbraw/zinc/17/43/18/388174318.db2.gz SFWSHOYZQJCGLA-IOMGSYGLSA-N 0 0 231.339 3.698 20 0 BHADRN C/C=C/c1ccc(N[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000449332740 388174338 /nfs/dbraw/zinc/17/43/38/388174338.db2.gz SFWSHOYZQJCGLA-JCNJPQFQSA-N 0 0 231.339 3.698 20 0 BHADRN C/C=C\c1ccc(N[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000449332741 388174155 /nfs/dbraw/zinc/17/41/55/388174155.db2.gz SFWSHOYZQJCGLA-UEIOUWTJSA-N 0 0 231.339 3.698 20 0 BHADRN C[C@H](Cc1ccoc1)Nc1cc(C2CC2)ccn1 ZINC000449334490 388175343 /nfs/dbraw/zinc/17/53/43/388175343.db2.gz JRBDSZLVIXUPAO-LLVKDONJSA-N 0 0 242.322 3.595 20 0 BHADRN C[C@@H](Cc1ccoc1)Nc1cc(C2CC2)ccn1 ZINC000449334491 388174720 /nfs/dbraw/zinc/17/47/20/388174720.db2.gz JRBDSZLVIXUPAO-NSHDSACASA-N 0 0 242.322 3.595 20 0 BHADRN C[C@@H](CC(C)(C)C)Nc1cn(C)nc1C1CC1 ZINC000449334622 388174709 /nfs/dbraw/zinc/17/47/09/388174709.db2.gz FYJXBBKACRNBCW-JTQLQIEISA-N 0 0 235.375 3.534 20 0 BHADRN C[C@H](CC(C)(C)C)Nc1cn(C)nc1C1CC1 ZINC000449334623 388175489 /nfs/dbraw/zinc/17/54/89/388175489.db2.gz FYJXBBKACRNBCW-SNVBAGLBSA-N 0 0 235.375 3.534 20 0 BHADRN C[C@H](CF)NCc1cc(Cl)sc1Cl ZINC000449335382 388175451 /nfs/dbraw/zinc/17/54/51/388175451.db2.gz ZMJAYXPIUWGCOC-RXMQYKEDSA-N 0 0 242.146 3.503 20 0 BHADRN C[C@@H](CF)NCc1cc(Cl)sc1Cl ZINC000449335383 388175105 /nfs/dbraw/zinc/17/51/05/388175105.db2.gz ZMJAYXPIUWGCOC-YFKPBYRVSA-N 0 0 242.146 3.503 20 0 BHADRN CC[C@@H](Nc1cn(C)nc1C1CC1)C1CCCC1 ZINC000449335949 201873083 /nfs/dbraw/zinc/87/30/83/201873083.db2.gz LEMJTNHEHHGPHM-CYBMUJFWSA-N 0 0 247.386 3.678 20 0 BHADRN CC[C@H](Nc1cn(C)nc1C1CC1)C1CCCC1 ZINC000449335950 388175279 /nfs/dbraw/zinc/17/52/79/388175279.db2.gz LEMJTNHEHHGPHM-ZDUSSCGKSA-N 0 0 247.386 3.678 20 0 BHADRN Cc1cc(CNc2cccc(C3CC3)n2)cs1 ZINC000449339445 388176129 /nfs/dbraw/zinc/17/61/29/388176129.db2.gz KKYMERFQCAZUGR-UHFFFAOYSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1cc(CNc2cc(C3CC3)ccn2)cs1 ZINC000449339683 388176112 /nfs/dbraw/zinc/17/61/12/388176112.db2.gz URXWLXHMIMVVCZ-UHFFFAOYSA-N 0 0 244.363 3.941 20 0 BHADRN C[C@@H]1CSC[C@@H]1Nc1ccc(C2CCC2)cn1 ZINC000449344784 383923959 /nfs/dbraw/zinc/92/39/59/383923959.db2.gz SESADJIRFSVHPA-MFKMUULPSA-N 0 0 248.395 3.513 20 0 BHADRN C[C@@H]1CSC[C@H]1Nc1ccc(C2CCC2)cn1 ZINC000449344785 383923255 /nfs/dbraw/zinc/92/32/55/383923255.db2.gz SESADJIRFSVHPA-ZWNOBZJWSA-N 0 0 248.395 3.513 20 0 BHADRN C[C@@]1(F)CCCN(Cc2ccsc2Cl)C1 ZINC000449351879 388179607 /nfs/dbraw/zinc/17/96/07/388179607.db2.gz RKYPLTXSQYZDBT-LLVKDONJSA-N 0 0 247.766 3.726 20 0 BHADRN C[C@]1(F)CCCN(Cc2ccsc2Cl)C1 ZINC000449351880 388180277 /nfs/dbraw/zinc/18/02/77/388180277.db2.gz RKYPLTXSQYZDBT-NSHDSACASA-N 0 0 247.766 3.726 20 0 BHADRN C[C@@]1(F)CCCN(Cc2sccc2Cl)C1 ZINC000449352976 383936279 /nfs/dbraw/zinc/93/62/79/383936279.db2.gz XMWOADIJZCSMRK-LLVKDONJSA-N 0 0 247.766 3.726 20 0 BHADRN C[C@]1(F)CCCN(Cc2sccc2Cl)C1 ZINC000449352977 383936222 /nfs/dbraw/zinc/93/62/22/383936222.db2.gz XMWOADIJZCSMRK-NSHDSACASA-N 0 0 247.766 3.726 20 0 BHADRN C[C@@]1(F)CCCN(Cc2cc(Cl)cs2)C1 ZINC000449353135 388179877 /nfs/dbraw/zinc/17/98/77/388179877.db2.gz YJOTYBMPZFSJTH-LLVKDONJSA-N 0 0 247.766 3.726 20 0 BHADRN C[C@]1(F)CCCN(Cc2cc(Cl)cs2)C1 ZINC000449353136 388180163 /nfs/dbraw/zinc/18/01/63/388180163.db2.gz YJOTYBMPZFSJTH-NSHDSACASA-N 0 0 247.766 3.726 20 0 BHADRN C[C@@]1(F)CCCN(Cc2ccc(Cl)s2)C1 ZINC000449353235 388179886 /nfs/dbraw/zinc/17/98/86/388179886.db2.gz ZEKIQOZNNOTESJ-LLVKDONJSA-N 0 0 247.766 3.726 20 0 BHADRN C[C@]1(F)CCCN(Cc2ccc(Cl)s2)C1 ZINC000449353236 388180204 /nfs/dbraw/zinc/18/02/04/388180204.db2.gz ZEKIQOZNNOTESJ-NSHDSACASA-N 0 0 247.766 3.726 20 0 BHADRN CC[C@@H](NCc1ccc(Cl)s1)C(F)F ZINC000449357359 383969342 /nfs/dbraw/zinc/96/93/42/383969342.db2.gz CMYRBCORKKOCPQ-SSDOTTSWSA-N 0 0 239.718 3.535 20 0 BHADRN CC[C@H](NCc1ccc(Cl)s1)C(F)F ZINC000449357360 383971500 /nfs/dbraw/zinc/97/15/00/383971500.db2.gz CMYRBCORKKOCPQ-ZETCQYMHSA-N 0 0 239.718 3.535 20 0 BHADRN CC[C@@H]([NH2+][C@H](C)CC1CCCC1)C(F)F ZINC000449358996 383972968 /nfs/dbraw/zinc/97/29/68/383972968.db2.gz HBSYNHPVQHHRFS-MWLCHTKSSA-N 0 0 219.319 3.589 20 0 BHADRN CC[C@H]([NH2+][C@@H](C)CC1CCCC1)C(F)F ZINC000449358998 383973055 /nfs/dbraw/zinc/97/30/55/383973055.db2.gz HBSYNHPVQHHRFS-ONGXEEELSA-N 0 0 219.319 3.589 20 0 BHADRN CC[C@H](NC/C(C)=C\c1ccccc1)C(F)F ZINC000449359357 200668270 /nfs/dbraw/zinc/66/82/70/200668270.db2.gz HORXTPBGADKIBF-FUWURINLSA-N 0 0 239.309 3.723 20 0 BHADRN CC[C@@H](NC/C(C)=C\c1ccccc1)C(F)F ZINC000449359361 383974593 /nfs/dbraw/zinc/97/45/93/383974593.db2.gz HORXTPBGADKIBF-PRWOLLLXSA-N 0 0 239.309 3.723 20 0 BHADRN CC[C@H](NC/C(C)=C/c1ccccc1)C(F)F ZINC000449359363 383974351 /nfs/dbraw/zinc/97/43/51/383974351.db2.gz HORXTPBGADKIBF-STRFDMGBSA-N 0 0 239.309 3.723 20 0 BHADRN CC[C@@H](NC/C(C)=C/c1ccccc1)C(F)F ZINC000449359364 383972810 /nfs/dbraw/zinc/97/28/10/383972810.db2.gz HORXTPBGADKIBF-YGNAEDSMSA-N 0 0 239.309 3.723 20 0 BHADRN COC(=O)c1cc2cccc(NC(C)C)c2s1 ZINC000449359514 388181258 /nfs/dbraw/zinc/18/12/58/388181258.db2.gz FNSPDJIJMFYRLS-UHFFFAOYSA-N 0 0 249.335 3.508 20 0 BHADRN CC[C@@H](N[C@@H](CC)C(F)F)c1ccccc1F ZINC000449359883 388181659 /nfs/dbraw/zinc/18/16/59/388181659.db2.gz IJZVJQWJNWBEPR-NEPJUHHUSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@@H](N[C@@H](CC)c1ccccc1F)C(F)F ZINC000449359884 388181199 /nfs/dbraw/zinc/18/11/99/388181199.db2.gz IJZVJQWJNWBEPR-NWDGAFQWSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@H](N[C@@H](CC)C(F)F)c1ccccc1F ZINC000449359885 388181364 /nfs/dbraw/zinc/18/13/64/388181364.db2.gz IJZVJQWJNWBEPR-RYUDHWBXSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@@H](N[C@H](CC)C(F)F)c1ccccc1F ZINC000449359886 388181572 /nfs/dbraw/zinc/18/15/72/388181572.db2.gz IJZVJQWJNWBEPR-VXGBXAGGSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@H](NC1CC(c2ccccc2)C1)C(F)F ZINC000449360466 388181819 /nfs/dbraw/zinc/18/18/19/388181819.db2.gz JJCRBBPMUAKTMG-BPCQOVAHSA-N 0 0 239.309 3.566 20 0 BHADRN CC[C@@H](NC1CC(c2ccccc2)C1)C(F)F ZINC000449360467 388181388 /nfs/dbraw/zinc/18/13/88/388181388.db2.gz JJCRBBPMUAKTMG-WXRRBKDZSA-N 0 0 239.309 3.566 20 0 BHADRN CC[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(F)F ZINC000449361585 388182364 /nfs/dbraw/zinc/18/23/64/388182364.db2.gz LENUMMSNMUNYPH-GDPRMGEGSA-N 0 0 243.297 3.536 20 0 BHADRN CC[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(F)F ZINC000449361586 201885324 /nfs/dbraw/zinc/88/53/24/201885324.db2.gz LENUMMSNMUNYPH-IEBDPFPHSA-N 0 0 243.297 3.536 20 0 BHADRN CC[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(F)F ZINC000449361587 388182648 /nfs/dbraw/zinc/18/26/48/388182648.db2.gz LENUMMSNMUNYPH-LSJOCFKGSA-N 0 0 243.297 3.536 20 0 BHADRN CC[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(F)F ZINC000449361588 383978560 /nfs/dbraw/zinc/97/85/60/383978560.db2.gz LENUMMSNMUNYPH-MIMYLULJSA-N 0 0 243.297 3.536 20 0 BHADRN CC[C@@H](NCc1coc2ccccc12)C(F)F ZINC000449362600 383990131 /nfs/dbraw/zinc/99/01/31/383990131.db2.gz NMFFSCUXFMDJKR-LLVKDONJSA-N 0 0 239.265 3.566 20 0 BHADRN CC[C@H](NCc1coc2ccccc12)C(F)F ZINC000449362601 383990995 /nfs/dbraw/zinc/99/09/95/383990995.db2.gz NMFFSCUXFMDJKR-NSHDSACASA-N 0 0 239.265 3.566 20 0 BHADRN CC[C@@H](NCc1ccc(SC)cc1)C(F)F ZINC000449362620 388181962 /nfs/dbraw/zinc/18/19/62/388181962.db2.gz NOOCHYHXJVOISI-LLVKDONJSA-N 0 0 245.338 3.542 20 0 BHADRN CC[C@H](NCc1ccc(SC)cc1)C(F)F ZINC000449362621 388182739 /nfs/dbraw/zinc/18/27/39/388182739.db2.gz NOOCHYHXJVOISI-NSHDSACASA-N 0 0 245.338 3.542 20 0 BHADRN CC[C@@H](NC[C@@H](C)c1ccc(F)cc1)C(F)F ZINC000449362912 388182710 /nfs/dbraw/zinc/18/27/10/388182710.db2.gz OENYKPAJJXDMFH-BXKDBHETSA-N 0 0 245.288 3.563 20 0 BHADRN CC[C@H](NC[C@H](C)c1ccc(F)cc1)C(F)F ZINC000449362913 388182058 /nfs/dbraw/zinc/18/20/58/388182058.db2.gz OENYKPAJJXDMFH-CABZTGNLSA-N 0 0 245.288 3.563 20 0 BHADRN CC[C@@H](NC[C@H](C)c1ccc(F)cc1)C(F)F ZINC000449362914 388181957 /nfs/dbraw/zinc/18/19/57/388181957.db2.gz OENYKPAJJXDMFH-JOYOIKCWSA-N 0 0 245.288 3.563 20 0 BHADRN CC[C@H](NC[C@@H](C)c1ccc(F)cc1)C(F)F ZINC000449362915 388182371 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CCCn1ncc(N[C@@H]2C[C@H](C)[C@H]2C)c1C1CC1 ZINC000449413127 388198125 /nfs/dbraw/zinc/19/81/25/388198125.db2.gz FPUMDEOIPBCYPO-DMDPSCGWSA-N 0 0 247.386 3.627 20 0 BHADRN CCCn1ncc(N[C@@H]2C[C@H](C)[C@@H]2C)c1C1CC1 ZINC000449413128 201909503 /nfs/dbraw/zinc/90/95/03/201909503.db2.gz FPUMDEOIPBCYPO-GMXVVIOVSA-N 0 0 247.386 3.627 20 0 BHADRN CCCn1ncc(N[C@@H]2C[C@@H](C)[C@H]2C)c1C1CC1 ZINC000449413129 388198028 /nfs/dbraw/zinc/19/80/28/388198028.db2.gz FPUMDEOIPBCYPO-NQBHXWOUSA-N 0 0 247.386 3.627 20 0 BHADRN CCCn1ncc(N[C@@H]2C[C@@H](C)[C@@H]2C)c1C1CC1 ZINC000449413130 384297494 /nfs/dbraw/zinc/29/74/94/384297494.db2.gz FPUMDEOIPBCYPO-NTZNESFSSA-N 0 0 247.386 3.627 20 0 BHADRN C/C(=C\c1ccccc1)CN[C@H](C)C(C)(F)F ZINC000449413378 388198136 /nfs/dbraw/zinc/19/81/36/388198136.db2.gz IIRLYRWVGZMXLM-LMMOQWNQSA-N 0 0 239.309 3.723 20 0 BHADRN C/C(=C/c1ccccc1)CN[C@@H](C)C(C)(F)F ZINC000449413379 388198166 /nfs/dbraw/zinc/19/81/66/388198166.db2.gz IIRLYRWVGZMXLM-MMRAYRKESA-N 0 0 239.309 3.723 20 0 BHADRN C/C(=C/c1ccccc1)CN[C@H](C)C(C)(F)F ZINC000449413380 388198029 /nfs/dbraw/zinc/19/80/29/388198029.db2.gz IIRLYRWVGZMXLM-UCQJPZFISA-N 0 0 239.309 3.723 20 0 BHADRN C/C(=C\c1ccccc1)CN[C@@H](C)C(C)(F)F ZINC000449413381 384298191 /nfs/dbraw/zinc/29/81/91/384298191.db2.gz IIRLYRWVGZMXLM-ZKQHCESOSA-N 0 0 239.309 3.723 20 0 BHADRN Cc1cc2ccccc2c(N[C@H]2CCCOC2)c1 ZINC000449413570 398295359 /nfs/dbraw/zinc/29/53/59/398295359.db2.gz RXKAHNVSVNNAGA-AWEZNQCLSA-N 0 0 241.334 3.739 20 0 BHADRN Cc1cc2ccccc2c(N[C@@H]2CCCOC2)c1 ZINC000449413580 398295462 /nfs/dbraw/zinc/29/54/62/398295462.db2.gz RXKAHNVSVNNAGA-CQSZACIVSA-N 0 0 241.334 3.739 20 0 BHADRN Cc1cc(Cl)c(N[C@@H]2CCCOC2)cc1C ZINC000449414017 398295067 /nfs/dbraw/zinc/29/50/67/398295067.db2.gz UOFUZBYXNHZTCC-LLVKDONJSA-N 0 0 239.746 3.548 20 0 BHADRN Cc1cc(Cl)c(N[C@H]2CCCOC2)cc1C ZINC000449414018 398295183 /nfs/dbraw/zinc/29/51/83/398295183.db2.gz UOFUZBYXNHZTCC-NSHDSACASA-N 0 0 239.746 3.548 20 0 BHADRN Cc1cc(Cl)c(N[C@@H]2CCO[C@H]2C)cc1C ZINC000449414291 201911637 /nfs/dbraw/zinc/91/16/37/201911637.db2.gz VQISSIBFXYPFLH-CMPLNLGQSA-N 0 0 239.746 3.546 20 0 BHADRN Cc1cc(Cl)c(N[C@H]2CCO[C@H]2C)cc1C ZINC000449414292 388198837 /nfs/dbraw/zinc/19/88/37/388198837.db2.gz VQISSIBFXYPFLH-JQWIXIFHSA-N 0 0 239.746 3.546 20 0 BHADRN Cc1cc(Cl)c(N[C@H]2CCO[C@@H]2C)cc1C ZINC000449414293 388198917 /nfs/dbraw/zinc/19/89/17/388198917.db2.gz VQISSIBFXYPFLH-PWSUYJOCSA-N 0 0 239.746 3.546 20 0 BHADRN Cc1cc(Cl)c(N[C@@H]2CCO[C@@H]2C)cc1C ZINC000449414294 388198986 /nfs/dbraw/zinc/19/89/86/388198986.db2.gz VQISSIBFXYPFLH-ZYHUDNBSSA-N 0 0 239.746 3.546 20 0 BHADRN CCCn1ncc(N[C@H](C)C(C)C)c1C1CC1 ZINC000449414520 388199265 /nfs/dbraw/zinc/19/92/65/388199265.db2.gz LGIZWLSGIYLLCK-LLVKDONJSA-N 0 0 235.375 3.627 20 0 BHADRN CCCn1ncc(N[C@@H](C)C(C)C)c1C1CC1 ZINC000449414521 388199116 /nfs/dbraw/zinc/19/91/16/388199116.db2.gz LGIZWLSGIYLLCK-NSHDSACASA-N 0 0 235.375 3.627 20 0 BHADRN COC[C@@H](C)Nc1cc(C)cc2ccccc21 ZINC000449414559 201911959 /nfs/dbraw/zinc/91/19/59/201911959.db2.gz WIULERYYCYGTDM-GFCCVEGCSA-N 0 0 229.323 3.595 20 0 BHADRN COC[C@H](C)Nc1cc(C)cc2ccccc21 ZINC000449414560 201911920 /nfs/dbraw/zinc/91/19/20/201911920.db2.gz WIULERYYCYGTDM-LBPRGKRZSA-N 0 0 229.323 3.595 20 0 BHADRN CCCn1ncc(N[C@H]2CC[C@H](C)C2)c1C1CC1 ZINC000449415313 388199303 /nfs/dbraw/zinc/19/93/03/388199303.db2.gz NQWBBZPWSCCGDI-AAEUAGOBSA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(N[C@@H]2CC[C@@H](C)C2)c1C1CC1 ZINC000449415314 388199151 /nfs/dbraw/zinc/19/91/51/388199151.db2.gz NQWBBZPWSCCGDI-DGCLKSJQSA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(N[C@@H]2CC[C@H](C)C2)c1C1CC1 ZINC000449415315 201911504 /nfs/dbraw/zinc/91/15/04/201911504.db2.gz NQWBBZPWSCCGDI-WCQYABFASA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(N[C@H]2CC[C@@H](C)C2)c1C1CC1 ZINC000449415316 384300337 /nfs/dbraw/zinc/30/03/37/384300337.db2.gz NQWBBZPWSCCGDI-YPMHNXCESA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(NC(CC)CC)c1C1CC1 ZINC000449415607 388199332 /nfs/dbraw/zinc/19/93/32/388199332.db2.gz OYZHXANCSNYZFQ-UHFFFAOYSA-N 0 0 235.375 3.771 20 0 BHADRN CCC[C@@H](C)Nc1cnn(CCC)c1C1CC1 ZINC000449416597 201911966 /nfs/dbraw/zinc/91/19/66/201911966.db2.gz UQQUMORKRWJQOV-LLVKDONJSA-N 0 0 235.375 3.771 20 0 BHADRN CCC[C@H](C)Nc1cnn(CCC)c1C1CC1 ZINC000449416598 388198966 /nfs/dbraw/zinc/19/89/66/388198966.db2.gz UQQUMORKRWJQOV-NSHDSACASA-N 0 0 235.375 3.771 20 0 BHADRN CCCn1ncc(N[C@H](C)C2CCC2)c1C1CC1 ZINC000449416775 388199218 /nfs/dbraw/zinc/19/92/18/388199218.db2.gz VHEVFLVVLHMPKC-LLVKDONJSA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(N[C@@H](C)C2CCC2)c1C1CC1 ZINC000449416776 201911648 /nfs/dbraw/zinc/91/16/48/201911648.db2.gz VHEVFLVVLHMPKC-NSHDSACASA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(NCC=C(C)C)c1C1CC1 ZINC000449416991 388199910 /nfs/dbraw/zinc/19/99/10/388199910.db2.gz WEZSTZUJPHDGLE-UHFFFAOYSA-N 0 0 233.359 3.549 20 0 BHADRN CCCn1ncc(N[C@H]2CC[C@@H]2CC)c1C1CC1 ZINC000449417009 388199802 /nfs/dbraw/zinc/19/98/02/388199802.db2.gz WHUSLYIPDNJKKF-AAEUAGOBSA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(N[C@@H]2CC[C@H]2CC)c1C1CC1 ZINC000449417010 388200052 /nfs/dbraw/zinc/20/00/52/388200052.db2.gz WHUSLYIPDNJKKF-DGCLKSJQSA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(N[C@@H]2CC[C@@H]2CC)c1C1CC1 ZINC000449417011 388199642 /nfs/dbraw/zinc/19/96/42/388199642.db2.gz WHUSLYIPDNJKKF-WCQYABFASA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(N[C@H]2CC[C@H]2CC)c1C1CC1 ZINC000449417012 388199790 /nfs/dbraw/zinc/19/97/90/388199790.db2.gz WHUSLYIPDNJKKF-YPMHNXCESA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(NC2CC(CC)C2)c1C1CC1 ZINC000449417178 219839328 /nfs/dbraw/zinc/83/93/28/219839328.db2.gz WYVSZCZLUODPFV-UHFFFAOYSA-N 0 0 247.386 3.771 20 0 BHADRN C[C@H](CCc1ccsc1)N[C@H](C)C(C)(F)F ZINC000449417251 388199521 /nfs/dbraw/zinc/19/95/21/388199521.db2.gz XIZUZHOEWVDTOU-NXEZZACHSA-N 0 0 247.354 3.703 20 0 BHADRN C[C@@H](CCc1ccsc1)N[C@@H](C)C(C)(F)F ZINC000449417252 388199612 /nfs/dbraw/zinc/19/96/12/388199612.db2.gz XIZUZHOEWVDTOU-UWVGGRQHSA-N 0 0 247.354 3.703 20 0 BHADRN C[C@@H](N[C@@H](C)CCc1ccsc1)C(C)(F)F ZINC000449417253 388199712 /nfs/dbraw/zinc/19/97/12/388199712.db2.gz XIZUZHOEWVDTOU-VHSXEESVSA-N 0 0 247.354 3.703 20 0 BHADRN C[C@H](CCc1ccsc1)N[C@@H](C)C(C)(F)F ZINC000449417254 388199645 /nfs/dbraw/zinc/19/96/45/388199645.db2.gz XIZUZHOEWVDTOU-ZJUUUORDSA-N 0 0 247.354 3.703 20 0 BHADRN CCCn1ncc(NC[C@H](C)CC)c1C1CC1 ZINC000449417393 201910860 /nfs/dbraw/zinc/91/08/60/201910860.db2.gz YCLQPFPQKPXSAR-LLVKDONJSA-N 0 0 235.375 3.629 20 0 BHADRN CCCn1ncc(NC[C@@H](C)CC)c1C1CC1 ZINC000449417394 388199868 /nfs/dbraw/zinc/19/98/68/388199868.db2.gz YCLQPFPQKPXSAR-NSHDSACASA-N 0 0 235.375 3.629 20 0 BHADRN C[C@@H](NCc1cccc2ccoc21)C(C)(F)F ZINC000449417468 201911077 /nfs/dbraw/zinc/91/10/77/201911077.db2.gz YEEGXDUBEBGBGP-SECBINFHSA-N 0 0 239.265 3.566 20 0 BHADRN C[C@H](NCc1cccc2ccoc21)C(C)(F)F ZINC000449417469 388200203 /nfs/dbraw/zinc/20/02/03/388200203.db2.gz YEEGXDUBEBGBGP-VIFPVBQESA-N 0 0 239.265 3.566 20 0 BHADRN CCCn1ncc(NC2CCCC2)c1C1CC1 ZINC000449417533 201910559 /nfs/dbraw/zinc/91/05/59/201910559.db2.gz YQBIQEQMVPOTTI-UHFFFAOYSA-N 0 0 233.359 3.525 20 0 BHADRN CCCn1ncc(N[C@H](C)CC2CC2)c1C1CC1 ZINC000449417593 201910843 /nfs/dbraw/zinc/91/08/43/201910843.db2.gz ZCTXEOURIULAGK-LLVKDONJSA-N 0 0 247.386 3.771 20 0 BHADRN CCCn1ncc(N[C@@H](C)CC2CC2)c1C1CC1 ZINC000449417594 388199874 /nfs/dbraw/zinc/19/98/74/388199874.db2.gz ZCTXEOURIULAGK-NSHDSACASA-N 0 0 247.386 3.771 20 0 BHADRN C[C@@H](NC[C@@H](C)c1ccc(F)cc1)C(C)(F)F ZINC000449417834 388199823 /nfs/dbraw/zinc/19/98/23/388199823.db2.gz ZYDWEAZJAQKBJT-NXEZZACHSA-N 0 0 245.288 3.563 20 0 BHADRN C[C@@H](CN[C@@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000449417835 201912878 /nfs/dbraw/zinc/91/28/78/201912878.db2.gz ZYDWEAZJAQKBJT-UWVGGRQHSA-N 0 0 245.288 3.563 20 0 BHADRN C[C@@H](CN[C@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000449417836 388199755 /nfs/dbraw/zinc/19/97/55/388199755.db2.gz ZYDWEAZJAQKBJT-VHSXEESVSA-N 0 0 245.288 3.563 20 0 BHADRN C[C@H](CN[C@@H](C)C(C)(F)F)c1ccc(F)cc1 ZINC000449417837 388199760 /nfs/dbraw/zinc/19/97/60/388199760.db2.gz ZYDWEAZJAQKBJT-ZJUUUORDSA-N 0 0 245.288 3.563 20 0 BHADRN CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1cscn1 ZINC000449432385 388204628 /nfs/dbraw/zinc/20/46/28/388204628.db2.gz HHESDAACZRPJQF-CYBMUJFWSA-N 0 0 238.400 3.544 20 0 BHADRN CC(C)C[C@]1(C)CCC[N@@H+]1Cc1cscn1 ZINC000449432386 388204699 /nfs/dbraw/zinc/20/46/99/388204699.db2.gz HHESDAACZRPJQF-ZDUSSCGKSA-N 0 0 238.400 3.544 20 0 BHADRN FCC1CCN(Cc2ccsc2Cl)CC1 ZINC000449457486 388210814 /nfs/dbraw/zinc/21/08/14/388210814.db2.gz NWNLIWWABPABBT-UHFFFAOYSA-N 0 0 247.766 3.583 20 0 BHADRN CC(F)(F)c1ccccc1NCC1CC1 ZINC000449465803 384871663 /nfs/dbraw/zinc/87/16/63/384871663.db2.gz FGBLTHCMIHCAFG-UHFFFAOYSA-N 0 0 211.255 3.620 20 0 BHADRN CCSCCNc1cccc(OC(C)C)c1 ZINC000449466120 201933110 /nfs/dbraw/zinc/93/31/10/201933110.db2.gz DOTMEAKHKCVSJT-UHFFFAOYSA-N 0 0 239.384 3.639 20 0 BHADRN CC(C)Oc1cccc(N[C@H](C)C2CC2)c1 ZINC000449467548 388211898 /nfs/dbraw/zinc/21/18/98/388211898.db2.gz MKUJOUZOVDDBKQ-LLVKDONJSA-N 0 0 219.328 3.684 20 0 BHADRN CC(C)Oc1cccc(N[C@@H](C)C2CC2)c1 ZINC000449467550 388211562 /nfs/dbraw/zinc/21/15/62/388211562.db2.gz MKUJOUZOVDDBKQ-NSHDSACASA-N 0 0 219.328 3.684 20 0 BHADRN Cc1ccc(CNc2cccc(OC(C)C)c2)o1 ZINC000449468258 388212710 /nfs/dbraw/zinc/21/27/10/388212710.db2.gz OSHHXCFUVCSNGC-UHFFFAOYSA-N 0 0 245.322 3.987 20 0 BHADRN Cc1ccoc1CNc1cccc(OC(C)C)c1 ZINC000449469320 388212325 /nfs/dbraw/zinc/21/23/25/388212325.db2.gz SSMWQIBBLWPRDZ-UHFFFAOYSA-N 0 0 245.322 3.987 20 0 BHADRN COCC[C@H](C)Nc1ccccc1C(C)(F)F ZINC000449469401 388213016 /nfs/dbraw/zinc/21/30/16/388213016.db2.gz MEJXXWRMEKXNPM-JTQLQIEISA-N 0 0 243.297 3.635 20 0 BHADRN COCC[C@@H](C)Nc1ccccc1C(C)(F)F ZINC000449469402 388212768 /nfs/dbraw/zinc/21/27/68/388212768.db2.gz MEJXXWRMEKXNPM-SNVBAGLBSA-N 0 0 243.297 3.635 20 0 BHADRN CC(C)Oc1cccc(NCc2cncs2)c1 ZINC000449469623 201933761 /nfs/dbraw/zinc/93/37/61/201933761.db2.gz UQQAVBCUCURBRT-UHFFFAOYSA-N 0 0 248.351 3.542 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccccc1C(C)(F)F ZINC000449473636 388213995 /nfs/dbraw/zinc/21/39/95/388213995.db2.gz RDDUYXQORMARSH-NXEZZACHSA-N 0 0 225.282 3.866 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccccc1C(C)(F)F ZINC000449473637 388213903 /nfs/dbraw/zinc/21/39/03/388213903.db2.gz RDDUYXQORMARSH-UWVGGRQHSA-N 0 0 225.282 3.866 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccccc1C(C)(F)F ZINC000449473638 388213561 /nfs/dbraw/zinc/21/35/61/388213561.db2.gz RDDUYXQORMARSH-VHSXEESVSA-N 0 0 225.282 3.866 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccccc1C(C)(F)F ZINC000449473639 388213668 /nfs/dbraw/zinc/21/36/68/388213668.db2.gz RDDUYXQORMARSH-ZJUUUORDSA-N 0 0 225.282 3.866 20 0 BHADRN CC[C@@H](COC)Nc1ccccc1C(C)(F)F ZINC000449474056 388213501 /nfs/dbraw/zinc/21/35/01/388213501.db2.gz RKXDTHSGINDYSY-JTQLQIEISA-N 0 0 243.297 3.635 20 0 BHADRN CC[C@H](COC)Nc1ccccc1C(C)(F)F ZINC000449474057 388213746 /nfs/dbraw/zinc/21/37/46/388213746.db2.gz RKXDTHSGINDYSY-SNVBAGLBSA-N 0 0 243.297 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202.269 3.824 20 0 BHADRN CCCc1nc(C)c(COc2ccccc2F)o1 ZINC000450625833 202216373 /nfs/dbraw/zinc/21/63/73/202216373.db2.gz UJQJHIFRJNVHPI-UHFFFAOYSA-N 0 0 249.285 3.654 20 0 BHADRN Cc1cc(C)cc(OCCC(C)(F)F)c1 ZINC000450626077 202216121 /nfs/dbraw/zinc/21/61/21/202216121.db2.gz UNWOWFPEYUDEGP-UHFFFAOYSA-N 0 0 214.255 3.728 20 0 BHADRN FC1(F)CCC[C@@H]1CSc1ccccn1 ZINC000450626222 202216481 /nfs/dbraw/zinc/21/64/81/202216481.db2.gz GHDDWRZLVVMHNA-SECBINFHSA-N 0 0 229.295 3.609 20 0 BHADRN FC1(F)CCC[C@H]1CSc1ccccn1 ZINC000450626223 202215027 /nfs/dbraw/zinc/21/50/27/202215027.db2.gz GHDDWRZLVVMHNA-VIFPVBQESA-N 0 0 229.295 3.609 20 0 BHADRN C(SC1CCCC1)c1nnc(C2CC2)s1 ZINC000450626239 201687817 /nfs/dbraw/zinc/68/78/17/201687817.db2.gz GHJLQWXWTTZHSB-UHFFFAOYSA-N 0 0 240.397 3.591 20 0 BHADRN CCc1cc(CCCSCC(C)C)on1 ZINC000450626272 202215543 /nfs/dbraw/zinc/21/55/43/202215543.db2.gz GHYWZWRBYIHNBR-UHFFFAOYSA-N 0 0 227.373 3.559 20 0 BHADRN FC(F)(F)CN(CC1=CCCCC1)C1CC1 ZINC000450626794 202216426 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CC(=O)c1ccc(OCCC(C)(F)F)c(C)c1 ZINC000450825397 202278978 /nfs/dbraw/zinc/27/89/78/202278978.db2.gz VKYOQUGXNAAJJZ-UHFFFAOYSA-N 0 0 242.265 3.622 20 0 BHADRN C(C[C@H]1CCOC1)SCC1CCCCC1 ZINC000450826805 202279666 /nfs/dbraw/zinc/27/96/66/202279666.db2.gz IJBOWNURGAHXLT-GFCCVEGCSA-N 0 0 228.401 3.727 20 0 BHADRN C(C[C@@H]1CCOC1)SCC1CCCCC1 ZINC000450826806 202277176 /nfs/dbraw/zinc/27/71/76/202277176.db2.gz IJBOWNURGAHXLT-LBPRGKRZSA-N 0 0 228.401 3.727 20 0 BHADRN Fc1cccc(OC[C@@H]2CCC(F)(F)C2)c1F ZINC000450826826 202278532 /nfs/dbraw/zinc/27/85/32/202278532.db2.gz HBCRGVVCARAYJY-MRVPVSSYSA-N 0 0 248.219 3.779 20 0 BHADRN Fc1cccc(OC[C@H]2CCC(F)(F)C2)c1F ZINC000450826827 202279688 /nfs/dbraw/zinc/27/96/88/202279688.db2.gz HBCRGVVCARAYJY-QMMMGPOBSA-N 0 0 248.219 3.779 20 0 BHADRN COc1ccccc1SCCC(C)(F)F ZINC000450827703 202279683 /nfs/dbraw/zinc/27/96/83/202279683.db2.gz KVSRBIYTAJAKJD-UHFFFAOYSA-N 0 0 232.295 3.833 20 0 BHADRN CC(C)(C)[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000450827950 202278589 /nfs/dbraw/zinc/27/85/89/202278589.db2.gz LCRPDOASARGSOR-BBRMVZONSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)(C)[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000450827951 202278845 /nfs/dbraw/zinc/27/88/45/202278845.db2.gz LCRPDOASARGSOR-CJNGLKHVSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)(C)[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000450827952 202278225 /nfs/dbraw/zinc/27/82/25/202278225.db2.gz LCRPDOASARGSOR-CZUORRHYSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)(C)[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000450827953 202279008 /nfs/dbraw/zinc/27/90/08/202279008.db2.gz LCRPDOASARGSOR-XJKSGUPXSA-N 0 0 249.398 3.627 20 0 BHADRN CCc1nc(C)c(CSc2ccccc2O)o1 ZINC000450828088 202278262 /nfs/dbraw/zinc/27/82/62/202278262.db2.gz JQZJLLDSNBJPAQ-UHFFFAOYSA-N 0 0 249.335 3.543 20 0 BHADRN CCCC(CCC)SCn1cccn1 ZINC000450828374 202278653 /nfs/dbraw/zinc/27/86/53/202278653.db2.gz MTCXXKCSMFAMCM-UHFFFAOYSA-N 0 0 212.362 3.543 20 0 BHADRN CCCC(CCC)SCc1cc[nH]n1 ZINC000450828857 202279061 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BHADRN CC(=O)[C@H](C)SC[C@@H]1CCCCC1(F)F ZINC000450854644 202289061 /nfs/dbraw/zinc/28/90/61/202289061.db2.gz DRRNJGWDJTZFCS-UWVGGRQHSA-N 0 0 236.327 3.523 20 0 BHADRN CC(=O)[C@H](C)SC[C@H]1CCCCC1(F)F ZINC000450854645 202289660 /nfs/dbraw/zinc/28/96/60/202289660.db2.gz DRRNJGWDJTZFCS-VHSXEESVSA-N 0 0 236.327 3.523 20 0 BHADRN CC(=O)[C@@H](C)SC[C@@H]1CCCCC1(F)F ZINC000450854646 202290312 /nfs/dbraw/zinc/29/03/12/202290312.db2.gz DRRNJGWDJTZFCS-ZJUUUORDSA-N 0 0 236.327 3.523 20 0 BHADRN CCc1cc(CCCS[C@H](C)C(C)C)on1 ZINC000450855530 202290916 /nfs/dbraw/zinc/29/09/16/202290916.db2.gz MPTFKNBYBVSKJE-LLVKDONJSA-N 0 0 241.400 3.947 20 0 BHADRN CCc1cc(CCCS[C@@H](C)C(C)C)on1 ZINC000450855531 202290812 /nfs/dbraw/zinc/29/08/12/202290812.db2.gz MPTFKNBYBVSKJE-NSHDSACASA-N 0 0 241.400 3.947 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)Nc1ccccc1CSC ZINC000450855646 202289435 /nfs/dbraw/zinc/28/94/35/202289435.db2.gz FZLSBVSIQAHDKQ-ZYHUDNBSSA-N 0 0 249.379 3.534 20 0 BHADRN CC(C)[C@@H](C)SCc1nnc(C2CC2)s1 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CC(C)[C@@H](C)SCC1CC(F)(F)C1 ZINC000450862116 202292681 /nfs/dbraw/zinc/29/26/81/202292681.db2.gz ZOFBFVVTYULUDE-MRVPVSSYSA-N 0 0 208.317 3.809 20 0 BHADRN CC(C)[C@H](C)SCC1CC(F)(F)C1 ZINC000450862118 202291941 /nfs/dbraw/zinc/29/19/41/202291941.db2.gz ZOFBFVVTYULUDE-QMMMGPOBSA-N 0 0 208.317 3.809 20 0 BHADRN Cc1cccc(Cl)c1CSC[C@H](C)CO ZINC000450862338 202292743 /nfs/dbraw/zinc/29/27/43/202292743.db2.gz ZVEAQELKYRPSPK-SECBINFHSA-N 0 0 244.787 3.510 20 0 BHADRN Cc1cccc(Cl)c1CSC[C@@H](C)CO ZINC000450862340 202292252 /nfs/dbraw/zinc/29/22/52/202292252.db2.gz ZVEAQELKYRPSPK-VIFPVBQESA-N 0 0 244.787 3.510 20 0 BHADRN CCOCCSCCC1=CCCCC1 ZINC000450862416 202292892 /nfs/dbraw/zinc/29/28/92/202292892.db2.gz RATWMYIOTHNLHW-UHFFFAOYSA-N 0 0 214.374 3.647 20 0 BHADRN Fc1cccc(SCC2CC(F)(F)C2)c1 ZINC000450862584 202291175 /nfs/dbraw/zinc/29/11/75/202291175.db2.gz FOZZBCMYDKSQSC-UHFFFAOYSA-N 0 0 232.270 3.963 20 0 BHADRN CCOCCSCC/C=C\c1ccccc1 ZINC000450862775 202292834 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Cc1nc(C(C)C)oc1CSc1ccncc1 ZINC000450865954 202293434 /nfs/dbraw/zinc/29/34/34/202293434.db2.gz WOQQZIYCGDHFRC-UHFFFAOYSA-N 0 0 248.351 3.794 20 0 BHADRN CC(C)c1cnc(SCCC(C)(F)F)n1C ZINC000450866992 202294067 /nfs/dbraw/zinc/29/40/67/202294067.db2.gz ZDMJELAMLVOCJB-UHFFFAOYSA-N 0 0 248.342 3.681 20 0 BHADRN CC(F)(F)CCSc1cccc(F)c1 ZINC000450871546 528731772 /nfs/dbraw/zinc/73/17/72/528731772.db2.gz RDMBDKGGOPSNHX-UHFFFAOYSA-N 0 0 220.259 3.963 20 0 BHADRN CC[C@@H](C)CSCC1CC(F)(F)C1 ZINC000450872172 388260070 /nfs/dbraw/zinc/26/00/70/388260070.db2.gz RRIOEXQMABTQTP-MRVPVSSYSA-N 0 0 208.317 3.811 20 0 BHADRN CC[C@H](C)CSCC1CC(F)(F)C1 ZINC000450872173 388260022 /nfs/dbraw/zinc/26/00/22/388260022.db2.gz RRIOEXQMABTQTP-QMMMGPOBSA-N 0 0 208.317 3.811 20 0 BHADRN CC[C@@H](C)CSCc1nnc(C2CC2)s1 ZINC000450874712 202295603 /nfs/dbraw/zinc/29/56/03/202295603.db2.gz UWUTVGONQRHXIF-MRVPVSSYSA-N 0 0 242.413 3.695 20 0 BHADRN CC[C@H](C)CSCc1nnc(C2CC2)s1 ZINC000450874713 202296096 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CC(C)CC(C)(C)C(=O)NCCCC(C)(F)F ZINC000452201327 387769156 /nfs/dbraw/zinc/76/91/56/387769156.db2.gz MHNZSIURHOWNQK-UHFFFAOYSA-N 0 0 249.345 3.610 20 0 BHADRN CCCC1(C(=O)NCCCC(C)(F)F)CCC1 ZINC000452202710 202549453 /nfs/dbraw/zinc/54/94/53/202549453.db2.gz OYAPLPLMMYTHKD-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CCC(CC)[C@H](C)C(=O)NCCCC(C)(F)F ZINC000452202838 387770089 /nfs/dbraw/zinc/77/00/89/387770089.db2.gz PYQSQSQWTHMNTK-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)NCCCC(C)(F)F ZINC000452202840 387769138 /nfs/dbraw/zinc/76/91/38/387769138.db2.gz PYQSQSQWTHMNTK-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)NCCCC(C)(F)F ZINC000452203108 387768952 /nfs/dbraw/zinc/76/89/52/387768952.db2.gz QSUQQAPSGIHQOR-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)NCCCC(C)(F)F ZINC000452203109 387769025 /nfs/dbraw/zinc/76/90/25/387769025.db2.gz QSUQQAPSGIHQOR-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN CC(F)(F)CCCNC(=O)CC1(C)CCCC1 ZINC000452204125 387765551 /nfs/dbraw/zinc/76/55/51/387765551.db2.gz WMIOPGPUPVVARA-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)NCCCC(C)(F)F ZINC000452205019 387769166 /nfs/dbraw/zinc/76/91/66/387769166.db2.gz JNTNPQYHUXSSFL-LLVKDONJSA-N 0 0 249.345 3.610 20 0 BHADRN CC(C)C[C@H](C)CC(=O)NCCCC(C)(F)F ZINC000452205021 387770757 /nfs/dbraw/zinc/77/07/57/387770757.db2.gz JNTNPQYHUXSSFL-NSHDSACASA-N 0 0 249.345 3.610 20 0 BHADRN CC[C@H](CC(C)C)C(=O)NCCCC(C)(F)F ZINC000452206041 387771015 /nfs/dbraw/zinc/77/10/15/387771015.db2.gz KNWFMRSTSLDBIP-LLVKDONJSA-N 0 0 249.345 3.610 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)NCCCC(C)(F)F ZINC000452206042 387771211 /nfs/dbraw/zinc/77/12/11/387771211.db2.gz KNWFMRSTSLDBIP-NSHDSACASA-N 0 0 249.345 3.610 20 0 BHADRN CCCC(C)(C)CC(=O)N1CCC[C@](C)(F)C1 ZINC000452206437 387770663 /nfs/dbraw/zinc/77/06/63/387770663.db2.gz LKHBVPBDAFXKLI-AWEZNQCLSA-N 0 0 243.366 3.553 20 0 BHADRN CCCC(C)(C)CC(=O)N1CCC[C@@](C)(F)C1 ZINC000452206438 387771321 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249.345 3.754 20 0 BHADRN CC(F)(F)CCNC(=O)CC1(C)CCCCC1 ZINC000452214160 387773370 /nfs/dbraw/zinc/77/33/70/387773370.db2.gz AGKYEFXCTNHZCP-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CC(F)(F)CCNC(=O)CCCC1CCCC1 ZINC000452214306 387772758 /nfs/dbraw/zinc/77/27/58/387772758.db2.gz AZGVKLFZRJYBPO-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CC(C)(C)CCCCC(=O)NCCC(C)(F)F ZINC000452214472 387772850 /nfs/dbraw/zinc/77/28/50/387772850.db2.gz CGKLPUNWPXDSBT-UHFFFAOYSA-N 0 0 249.345 3.754 20 0 BHADRN CCC1(C(=O)NCCC(C)(F)F)CCCCC1 ZINC000452214603 387773031 /nfs/dbraw/zinc/77/30/31/387773031.db2.gz CWNHNNWTAXHLBW-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)NCCC(C)(F)F ZINC000452214709 387772095 /nfs/dbraw/zinc/77/20/95/387772095.db2.gz ODYLNQMWIMFMRP-LLVKDONJSA-N 0 0 249.345 3.610 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)NCCC(C)(F)F ZINC000452214710 387772530 /nfs/dbraw/zinc/77/25/30/387772530.db2.gz ODYLNQMWIMFMRP-NSHDSACASA-N 0 0 249.345 3.610 20 0 BHADRN CC(F)(F)CCNC(=O)CC1CCCCCC1 ZINC000452215036 202551761 /nfs/dbraw/zinc/55/17/61/202551761.db2.gz GCGBAORROVNATR-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NCCC(C)(F)F ZINC000452216046 202552044 /nfs/dbraw/zinc/55/20/44/202552044.db2.gz LVRRXJGBVOLTFT-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NCCC(C)(F)F ZINC000452216047 387774196 /nfs/dbraw/zinc/77/41/96/387774196.db2.gz LVRRXJGBVOLTFT-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN CC(F)(F)CCNC(=O)C1(C)CCCCCC1 ZINC000452217462 487683425 /nfs/dbraw/zinc/68/34/25/487683425.db2.gz VXZYEDQKSVHUNY-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CCN(CC(C)(C)C)C(=O)C(C)(C)C(C)(F)F ZINC000452218738 202552516 /nfs/dbraw/zinc/55/25/16/202552516.db2.gz HGUCNSYLHVDOCP-UHFFFAOYSA-N 0 0 249.345 3.562 20 0 BHADRN CCN(CC(C)(C)C)C(=O)C(C)(C)C1CCC1 ZINC000452221567 202553626 /nfs/dbraw/zinc/55/36/26/202553626.db2.gz LVQLFKMNKRXVSW-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CCN(CC(C)(C)C)C(=O)[C@@]1(C)CC=CCC1 ZINC000452224213 202553911 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249.345 3.753 20 0 BHADRN CC[C@@H](NC(=O)CCCCC(C)(C)C)C(F)F ZINC000452257168 387783734 /nfs/dbraw/zinc/78/37/34/387783734.db2.gz DZFOOOFHGCWZKJ-SNVBAGLBSA-N 0 0 249.345 3.753 20 0 BHADRN CC[C@H](NC(=O)C1(C)CCCCCC1)C(F)F ZINC000452267384 387784869 /nfs/dbraw/zinc/78/48/69/387784869.db2.gz VQYBPTOQCITWGA-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CC[C@@H](NC(=O)C1(C)CCCCCC1)C(F)F ZINC000452267385 387784924 /nfs/dbraw/zinc/78/49/24/387784924.db2.gz VQYBPTOQCITWGA-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N[C@H](CC)C(F)F ZINC000452267922 387785837 /nfs/dbraw/zinc/78/58/37/387785837.db2.gz WTZGQLCSZMMMEA-GHMZBOCLSA-N 0 0 249.345 3.609 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N[C@@H](CC)C(F)F ZINC000452267925 387786029 /nfs/dbraw/zinc/78/60/29/387786029.db2.gz WTZGQLCSZMMMEA-MNOVXSKESA-N 0 0 249.345 3.609 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N[C@@H](CC)C(F)F ZINC000452267929 387786474 /nfs/dbraw/zinc/78/64/74/387786474.db2.gz WTZGQLCSZMMMEA-QWRGUYRKSA-N 0 0 249.345 3.609 20 0 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/nfs/dbraw/zinc/61/83/30/202618330.db2.gz CFIQEZGSDUNGMR-LLVKDONJSA-N 0 0 249.345 3.754 20 0 BHADRN CCCC[C@H](CC)C(=O)NCCCC(C)(F)F ZINC000452591626 387864942 /nfs/dbraw/zinc/86/49/42/387864942.db2.gz CFIQEZGSDUNGMR-NSHDSACASA-N 0 0 249.345 3.754 20 0 BHADRN CC/C=C\CNC(=O)C[C@@H](C)c1ccccc1C ZINC000452609940 387873346 /nfs/dbraw/zinc/87/33/46/387873346.db2.gz DDCBCCIBGFQXQF-BMWLXYDHSA-N 0 0 245.366 3.571 20 0 BHADRN CC/C=C/CNC(=O)C[C@H](C)c1ccccc1C ZINC000452609941 387873294 /nfs/dbraw/zinc/87/32/94/387873294.db2.gz DDCBCCIBGFQXQF-GPAKFWEMSA-N 0 0 245.366 3.571 20 0 BHADRN CC/C=C/CNC(=O)C[C@@H](C)c1ccccc1C ZINC000452609942 202623745 /nfs/dbraw/zinc/62/37/45/202623745.db2.gz DDCBCCIBGFQXQF-LHRNQBEKSA-N 0 0 245.366 3.571 20 0 BHADRN CC/C=C\CNC(=O)C[C@H](C)c1ccccc1C ZINC000452609943 387874084 /nfs/dbraw/zinc/87/40/84/387874084.db2.gz DDCBCCIBGFQXQF-PODYEWJSSA-N 0 0 245.366 3.571 20 0 BHADRN CC/C=C/CNC(=O)[C@H](C)CCC(C)(C)C ZINC000452612827 386525104 /nfs/dbraw/zinc/52/51/04/386525104.db2.gz MOFJSKIXOZFYRI-ABZNLYFFSA-N 0 0 225.376 3.531 20 0 BHADRN CC/C=C/CNC(=O)[C@@H](C)CCC(C)(C)C ZINC000452612828 219883663 /nfs/dbraw/zinc/88/36/63/219883663.db2.gz MOFJSKIXOZFYRI-GUOLPTJISA-N 0 0 225.376 3.531 20 0 BHADRN CC/C=C\CNC(=O)[C@@H](C)CCC(C)(C)C ZINC000452612829 386524787 /nfs/dbraw/zinc/52/47/87/386524787.db2.gz MOFJSKIXOZFYRI-KRZKBDHCSA-N 0 0 225.376 3.531 20 0 BHADRN CC/C=C\CNC(=O)[C@H](C)CCC(C)(C)C ZINC000452612830 386526460 /nfs/dbraw/zinc/52/64/60/386526460.db2.gz MOFJSKIXOZFYRI-QDZRJHCZSA-N 0 0 225.376 3.531 20 0 BHADRN CC/C=C/CNC(=O)CC[C@H](C)c1ccccc1 ZINC000452614238 202626196 /nfs/dbraw/zinc/62/61/96/202626196.db2.gz RLEHBLVNESULKW-PXYYCUNGSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C\CNC(=O)CC[C@@H](C)c1ccccc1 ZINC000452614239 387877013 /nfs/dbraw/zinc/87/70/13/387877013.db2.gz RLEHBLVNESULKW-SMGNDMQFSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C\CNC(=O)CC[C@H](C)c1ccccc1 ZINC000452614240 387876643 /nfs/dbraw/zinc/87/66/43/387876643.db2.gz RLEHBLVNESULKW-VCDPDADVSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C/CNC(=O)CC[C@@H](C)c1ccccc1 ZINC000452614241 387876248 /nfs/dbraw/zinc/87/62/48/387876248.db2.gz RLEHBLVNESULKW-YOIVXCQUSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C/CNC(=O)c1ccc(C(C)C)s1 ZINC000452616701 387878470 /nfs/dbraw/zinc/87/84/70/387878470.db2.gz WIJPKLPDAXPXLM-AATRIKPKSA-N 0 0 237.368 3.568 20 0 BHADRN CC/C=C\CNC(=O)c1ccc(C(C)C)s1 ZINC000452616702 202628401 /nfs/dbraw/zinc/62/84/01/202628401.db2.gz WIJPKLPDAXPXLM-WAYWQWQTSA-N 0 0 237.368 3.568 20 0 BHADRN CC/C=C/CNC(=O)[C@H](c1ccccc1)C(C)C ZINC000452616757 387878007 /nfs/dbraw/zinc/87/80/07/387878007.db2.gz WPULGKDJFLJUEP-BOSPYUDASA-N 0 0 245.366 3.509 20 0 BHADRN CC/C=C/CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC000452616758 202627975 /nfs/dbraw/zinc/62/79/75/202627975.db2.gz WPULGKDJFLJUEP-FUVBFXSKSA-N 0 0 245.366 3.509 20 0 BHADRN CC/C=C\CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC000452616882 387877728 /nfs/dbraw/zinc/87/77/28/387877728.db2.gz WPULGKDJFLJUEP-HMZQOCAUSA-N 0 0 245.366 3.509 20 0 BHADRN CC/C=C\CNC(=O)[C@H](c1ccccc1)C(C)C ZINC000452616883 387877852 /nfs/dbraw/zinc/87/78/52/387877852.db2.gz WPULGKDJFLJUEP-ZHMISCPASA-N 0 0 245.366 3.509 20 0 BHADRN CC/C=C/CNC(=O)C[C@H](CC)c1ccccc1 ZINC000452617450 387878066 /nfs/dbraw/zinc/87/80/66/387878066.db2.gz XOWKAJSHCLFGGM-KVEVGEHQSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C\CNC(=O)C[C@H](CC)c1ccccc1 ZINC000452617451 202627462 /nfs/dbraw/zinc/62/74/62/202627462.db2.gz XOWKAJSHCLFGGM-UQYHUFHVSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C\CNC(=O)C[C@@H](CC)c1ccccc1 ZINC000452617452 323152000 /nfs/dbraw/zinc/15/20/00/323152000.db2.gz XOWKAJSHCLFGGM-VYLZPFMQSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C/CNC(=O)C[C@@H](CC)c1ccccc1 ZINC000452617453 323152038 /nfs/dbraw/zinc/15/20/38/323152038.db2.gz XOWKAJSHCLFGGM-VZUFXWRPSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C/CNC(=O)c1sccc1C(C)C ZINC000452618501 202627683 /nfs/dbraw/zinc/62/76/83/202627683.db2.gz ZJMSMJSFGBHQKY-AATRIKPKSA-N 0 0 237.368 3.568 20 0 BHADRN CC/C=C\CNC(=O)c1sccc1C(C)C ZINC000452618502 387880427 /nfs/dbraw/zinc/88/04/27/387880427.db2.gz ZJMSMJSFGBHQKY-WAYWQWQTSA-N 0 0 237.368 3.568 20 0 BHADRN CC/C=C\CNC(=O)CC/C=C/c1ccccc1 ZINC000452618907 387880492 /nfs/dbraw/zinc/88/04/92/387880492.db2.gz ZTHMRBMMFYZYMJ-AKZDZOENSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C=C/CNC(=O)CC/C=C\c1ccccc1 ZINC000452618925 202628319 /nfs/dbraw/zinc/62/83/19/202628319.db2.gz ZTHMRBMMFYZYMJ-LAHUSHNSSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C=C\CNC(=O)CC/C=C\c1ccccc1 ZINC000452618927 387880412 /nfs/dbraw/zinc/88/04/12/387880412.db2.gz ZTHMRBMMFYZYMJ-XNSPBQARSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C=C/CNC(=O)[C@@H](CCC)c1ccccc1 ZINC000452620771 387879394 /nfs/dbraw/zinc/87/93/94/387879394.db2.gz ZMKLAPXJQMZYKK-BOSPYUDASA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C/CNC(=O)[C@H](CCC)c1ccccc1 ZINC000452620772 387879781 /nfs/dbraw/zinc/87/97/81/387879781.db2.gz ZMKLAPXJQMZYKK-FUVBFXSKSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C\CNC(=O)[C@H](CCC)c1ccccc1 ZINC000452620773 387880423 /nfs/dbraw/zinc/88/04/23/387880423.db2.gz ZMKLAPXJQMZYKK-HMZQOCAUSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C\CNC(=O)[C@@H](CCC)c1ccccc1 ZINC000452620774 387880036 /nfs/dbraw/zinc/88/00/36/387880036.db2.gz ZMKLAPXJQMZYKK-ZHMISCPASA-N 0 0 245.366 3.653 20 0 BHADRN CCCC(C)(C)CC(=O)N(C)c1cccnc1C ZINC000452627351 387879929 /nfs/dbraw/zinc/87/99/29/387879929.db2.gz MDFDXLITPRNPLU-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN Cc1ncccc1N(C)C(=O)CCCC(C)(C)C ZINC000452635334 387881635 /nfs/dbraw/zinc/88/16/35/387881635.db2.gz BFKRXSJEEAUFJS-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(C)c1cccnc1C ZINC000452644437 387882289 /nfs/dbraw/zinc/88/22/89/387882289.db2.gz MGELZCLYFMOSEP-CYBMUJFWSA-N 0 0 248.370 3.569 20 0 BHADRN CCCC[C@H](CC)C(=O)N(C)c1cccnc1C ZINC000452644438 387880969 /nfs/dbraw/zinc/88/09/69/387880969.db2.gz MGELZCLYFMOSEP-ZDUSSCGKSA-N 0 0 248.370 3.569 20 0 BHADRN CCC[C@@H](NC(=O)c1ccc(C)o1)C(C)(C)C ZINC000452658347 387883979 /nfs/dbraw/zinc/88/39/79/387883979.db2.gz DLYZOBVAHNSIEY-GFCCVEGCSA-N 0 0 237.343 3.533 20 0 BHADRN CCC[C@H](NC(=O)c1ccc(C)o1)C(C)(C)C ZINC000452658748 387883489 /nfs/dbraw/zinc/88/34/89/387883489.db2.gz DLYZOBVAHNSIEY-LBPRGKRZSA-N 0 0 237.343 3.533 20 0 BHADRN CCC[C@@H](NC(=O)c1ccoc1C)C(C)(C)C ZINC000452659290 387883529 /nfs/dbraw/zinc/88/35/29/387883529.db2.gz FKCNZXSWIGTKAG-GFCCVEGCSA-N 0 0 237.343 3.533 20 0 BHADRN CCC[C@H](NC(=O)c1ccoc1C)C(C)(C)C ZINC000452659291 387883435 /nfs/dbraw/zinc/88/34/35/387883435.db2.gz FKCNZXSWIGTKAG-LBPRGKRZSA-N 0 0 237.343 3.533 20 0 BHADRN CCC[C@@H](NC(=O)C1CCCC1)C(C)(C)C ZINC000452659829 202630994 /nfs/dbraw/zinc/63/09/94/202630994.db2.gz GFFHLOIWKPVVKQ-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](NC(=O)C1CCCC1)C(C)(C)C ZINC000452659830 387883663 /nfs/dbraw/zinc/88/36/63/387883663.db2.gz GFFHLOIWKPVVKQ-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](NC(=O)c1cccs1)C(C)(C)C ZINC000452659836 202630895 /nfs/dbraw/zinc/63/08/95/202630895.db2.gz GFWFLMBWPZSXIA-LLVKDONJSA-N 0 0 239.384 3.693 20 0 BHADRN CCC[C@H](NC(=O)c1cccs1)C(C)(C)C ZINC000452659838 202630565 /nfs/dbraw/zinc/63/05/65/202630565.db2.gz GFWFLMBWPZSXIA-NSHDSACASA-N 0 0 239.384 3.693 20 0 BHADRN CCCCC(=O)N[C@H](CCC)C(C)(C)C ZINC000452659911 387883465 /nfs/dbraw/zinc/88/34/65/387883465.db2.gz GRSKGIMNSXVUBZ-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC(=O)N[C@@H](CCC)C(C)(C)C ZINC000452659912 387883720 /nfs/dbraw/zinc/88/37/20/387883720.db2.gz GRSKGIMNSXVUBZ-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@@H](NC(=O)C[C@@H]1C=CCC1)C(C)(C)C ZINC000452660481 387882986 /nfs/dbraw/zinc/88/29/86/387882986.db2.gz HLVPGSJBCMAGPE-CHWSQXEVSA-N 0 0 237.387 3.674 20 0 BHADRN CCC[C@H](NC(=O)C[C@@H]1C=CCC1)C(C)(C)C ZINC000452660482 387883684 /nfs/dbraw/zinc/88/36/84/387883684.db2.gz HLVPGSJBCMAGPE-OLZOCXBDSA-N 0 0 237.387 3.674 20 0 BHADRN CCC[C@@H](NC(=O)C[C@H]1C=CCC1)C(C)(C)C ZINC000452660483 387883901 /nfs/dbraw/zinc/88/39/01/387883901.db2.gz HLVPGSJBCMAGPE-QWHCGFSZSA-N 0 0 237.387 3.674 20 0 BHADRN CCC[C@H](NC(=O)C[C@H]1C=CCC1)C(C)(C)C ZINC000452660484 387882868 /nfs/dbraw/zinc/88/28/68/387882868.db2.gz HLVPGSJBCMAGPE-STQMWFEESA-N 0 0 237.387 3.674 20 0 BHADRN CCC[C@@H](NC(=O)c1ccsc1)C(C)(C)C ZINC000452661171 386615297 /nfs/dbraw/zinc/61/52/97/386615297.db2.gz IYCKHPVVCBLRCW-LLVKDONJSA-N 0 0 239.384 3.693 20 0 BHADRN CCC[C@H](NC(=O)c1ccsc1)C(C)(C)C ZINC000452661172 386615721 /nfs/dbraw/zinc/61/57/21/386615721.db2.gz IYCKHPVVCBLRCW-NSHDSACASA-N 0 0 239.384 3.693 20 0 BHADRN CCC[C@@H](NC(=O)CC1CCC1)C(C)(C)C ZINC000452661722 387884069 /nfs/dbraw/zinc/88/40/69/387884069.db2.gz KOQGWCWEZFXQEY-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](NC(=O)CC1CCC1)C(C)(C)C ZINC000452661723 387883446 /nfs/dbraw/zinc/88/34/46/387883446.db2.gz KOQGWCWEZFXQEY-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](NC(=O)Cc1ccccc1)C(C)(C)C ZINC000452662069 202630907 /nfs/dbraw/zinc/63/09/07/202630907.db2.gz LTAOHPCEQCBTIV-AWEZNQCLSA-N 0 0 247.382 3.560 20 0 BHADRN CCC[C@@H](NC(=O)Cc1ccccc1)C(C)(C)C ZINC000452662070 386616627 /nfs/dbraw/zinc/61/66/27/386616627.db2.gz LTAOHPCEQCBTIV-CQSZACIVSA-N 0 0 247.382 3.560 20 0 BHADRN CCC[C@@H](NC(=O)CC1(C)CC1)C(C)(C)C ZINC000452662406 387883402 /nfs/dbraw/zinc/88/34/02/387883402.db2.gz AFPAYJXRLYFZRI-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](NC(=O)CC1(C)CC1)C(C)(C)C ZINC000452662407 202631328 /nfs/dbraw/zinc/63/13/28/202631328.db2.gz AFPAYJXRLYFZRI-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](NC(=O)c1occc1C)C(C)(C)C ZINC000452664153 387884975 /nfs/dbraw/zinc/88/49/75/387884975.db2.gz SOXGKUIJLOSLHV-LLVKDONJSA-N 0 0 237.343 3.533 20 0 BHADRN CCC[C@H](NC(=O)c1occc1C)C(C)(C)C ZINC000452664154 387885613 /nfs/dbraw/zinc/88/56/13/387885613.db2.gz SOXGKUIJLOSLHV-NSHDSACASA-N 0 0 237.343 3.533 20 0 BHADRN CCC[C@@H](NC(=O)[C@@H]1CC=CCC1)C(C)(C)C ZINC000452665395 387884654 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/nfs/dbraw/zinc/93/22/87/387932287.db2.gz RLNAQNLSEFHLCQ-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN Cc1cc(Cl)c(NC(=O)C2(C)CC2)cc1C ZINC000452889926 387935725 /nfs/dbraw/zinc/93/57/25/387935725.db2.gz UQXZEJJUSAEWKX-UHFFFAOYSA-N 0 0 237.730 3.695 20 0 BHADRN CCCC1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCC1 ZINC000452890022 387935463 /nfs/dbraw/zinc/93/54/63/387935463.db2.gz WZTOIDULWUDSOM-OKILXGFUSA-N 0 0 249.398 3.605 20 0 BHADRN CCCCC(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC000452939965 202670521 /nfs/dbraw/zinc/67/05/21/202670521.db2.gz PCPKADLYSRJLIH-UHFFFAOYSA-N 0 0 247.338 3.654 20 0 BHADRN CCC1(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CCCC1 ZINC000452941322 387941065 /nfs/dbraw/zinc/94/10/65/387941065.db2.gz BAHZECLPRFXCNR-GXTWGEPZSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)CCCC1 ZINC000452941325 202670814 /nfs/dbraw/zinc/67/08/14/202670814.db2.gz BAHZECLPRFXCNR-JSGCOSHPSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CCCC1 ZINC000452941328 387943242 /nfs/dbraw/zinc/94/32/42/387943242.db2.gz BAHZECLPRFXCNR-OCCSQVGLSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(NC(=O)[C@H]2C[C@]2(C)C(C)C)CCCC1 ZINC000452941331 202670233 /nfs/dbraw/zinc/67/02/33/202670233.db2.gz BAHZECLPRFXCNR-TZMCWYRMSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(NC(=O)CC(C)(C)C2CC2)CCCC1 ZINC000452943531 387942551 /nfs/dbraw/zinc/94/25/51/387942551.db2.gz CZAIJIZYSLIOTI-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)CCCC(C)C)CCCC1 ZINC000452945225 202672870 /nfs/dbraw/zinc/67/28/70/202672870.db2.gz FGZOCTCIRNOVCP-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC[C@@H](C)C(=O)NC1(CC)CCCC1 ZINC000452946081 387942426 /nfs/dbraw/zinc/94/24/26/387942426.db2.gz FMZPVHODEMGASY-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC[C@H](C)C(=O)NC1(CC)CCCC1 ZINC000452946083 387943170 /nfs/dbraw/zinc/94/31/70/387943170.db2.gz FMZPVHODEMGASY-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC000452947741 202671946 /nfs/dbraw/zinc/67/19/46/202671946.db2.gz WAIPIMVAYSOSPD-LLVKDONJSA-N 0 0 247.338 3.510 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC000452947742 202671665 /nfs/dbraw/zinc/67/16/65/202671665.db2.gz WAIPIMVAYSOSPD-NSHDSACASA-N 0 0 247.338 3.510 20 0 BHADRN CCC1(NC(=O)[C@H](C)c2ccccc2)CCCC1 ZINC000452951749 202672386 /nfs/dbraw/zinc/67/23/86/202672386.db2.gz JRTWLWTXXPTRNP-CYBMUJFWSA-N 0 0 245.366 3.629 20 0 BHADRN CCC1(NC(=O)[C@@H](C)c2ccccc2)CCCC1 ZINC000452951751 387944716 /nfs/dbraw/zinc/94/47/16/387944716.db2.gz JRTWLWTXXPTRNP-ZDUSSCGKSA-N 0 0 245.366 3.629 20 0 BHADRN CCCc1occc1C(=O)NC1(CC)CCCC1 ZINC000452956203 387944637 /nfs/dbraw/zinc/94/46/37/387944637.db2.gz OHUJEGNASBSVHX-UHFFFAOYSA-N 0 0 249.354 3.685 20 0 BHADRN CCC1(NC(=O)c2sccc2C)CCCC1 ZINC000452958267 385907627 /nfs/dbraw/zinc/90/76/27/385907627.db2.gz OSQYLIIMISKDSV-UHFFFAOYSA-N 0 0 237.368 3.509 20 0 BHADRN CCC1(NC(=O)C[C@@H]2C=CCCC2)CCCC1 ZINC000452959748 387945935 /nfs/dbraw/zinc/94/59/35/387945935.db2.gz RQDTUNUSVQJSEU-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN CCC1(NC(=O)C[C@H]2C=CCCC2)CCCC1 ZINC000452959749 387946435 /nfs/dbraw/zinc/94/64/35/387946435.db2.gz RQDTUNUSVQJSEU-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN CC[C@@H](C)CCC(=O)NC1(CC)CCCC1 ZINC000452961424 202673858 /nfs/dbraw/zinc/67/38/58/202673858.db2.gz UNDDKMYAWLJWFM-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CC[C@H](C)CCC(=O)NC1(CC)CCCC1 ZINC000452961426 387946044 /nfs/dbraw/zinc/94/60/44/387946044.db2.gz UNDDKMYAWLJWFM-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)NC1(CC)CCCC1 ZINC000452962817 387945974 /nfs/dbraw/zinc/94/59/74/387945974.db2.gz WFLICTRLQRWFQG-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)NC1(CC)CCCC1 ZINC000452962819 202673683 /nfs/dbraw/zinc/67/36/83/202673683.db2.gz WFLICTRLQRWFQG-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCC[C@H]1C(=O)NC1(CC)CCCC1 ZINC000452962820 385926875 /nfs/dbraw/zinc/92/68/75/385926875.db2.gz WFLICTRLQRWFQG-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCC[C@@H]1C(=O)NC1(CC)CCCC1 ZINC000452962824 385927773 /nfs/dbraw/zinc/92/77/73/385927773.db2.gz WFLICTRLQRWFQG-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)C2=CCCCCC2)CCCC1 ZINC000452963414 387945418 /nfs/dbraw/zinc/94/54/18/387945418.db2.gz XHJSJTNHEZYBGF-UHFFFAOYSA-N 0 0 235.371 3.716 20 0 BHADRN CCC1(NC(=O)[C@H]2CCCC2(C)C)CCCC1 ZINC000452964171 387945671 /nfs/dbraw/zinc/94/56/71/387945671.db2.gz YRKGVOJDFHBKAI-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)[C@@H]2CCCC2(C)C)CCCC1 ZINC000452964172 387946255 /nfs/dbraw/zinc/94/62/55/387946255.db2.gz YRKGVOJDFHBKAI-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)c2cccc(C)c2C)CCCC1 ZINC000452966089 202674264 /nfs/dbraw/zinc/67/42/64/202674264.db2.gz XEPZKGJGGBPDRU-UHFFFAOYSA-N 0 0 245.366 3.756 20 0 BHADRN CCC1(NC(=O)c2ccc(C)s2)CCCC1 ZINC000452967247 387945968 /nfs/dbraw/zinc/94/59/68/387945968.db2.gz ZSBNMMAIRNZZMG-UHFFFAOYSA-N 0 0 237.368 3.509 20 0 BHADRN CCC1(NC(=O)c2cccn2C(C)C)CCCC1 ZINC000452967489 387948156 /nfs/dbraw/zinc/94/81/56/387948156.db2.gz AWUJCDSMFVOYHS-UHFFFAOYSA-N 0 0 248.370 3.522 20 0 BHADRN CCC1(NC(=O)[C@H](C)CC(C)C)CCCC1 ZINC000452968214 202673891 /nfs/dbraw/zinc/67/38/91/202673891.db2.gz BUAJEEGLFUFQCX-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CCC1(NC(=O)[C@@H](C)CC(C)C)CCCC1 ZINC000452968216 202674316 /nfs/dbraw/zinc/67/43/16/202674316.db2.gz BUAJEEGLFUFQCX-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CCc1cc(C)c(C(=O)NC2(CC)CCCC2)o1 ZINC000452978360 387951164 /nfs/dbraw/zinc/95/11/64/387951164.db2.gz RYRCOUOFDMONOE-UHFFFAOYSA-N 0 0 249.354 3.603 20 0 BHADRN CCC1(NC(=O)C[C@@H](C)C(C)C)CCCC1 ZINC000452979806 387951328 /nfs/dbraw/zinc/95/13/28/387951328.db2.gz VJPASECOELHUEX-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CCC1(NC(=O)C[C@H](C)C(C)C)CCCC1 ZINC000452979810 387951089 /nfs/dbraw/zinc/95/10/89/387951089.db2.gz VJPASECOELHUEX-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(CC)CC(=O)NC1(CC)CCCC1 ZINC000452979967 202677966 /nfs/dbraw/zinc/67/79/66/202677966.db2.gz VTPYNESKNABCNM-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@@H](C)CC(=O)NC1(CC)CCCC1 ZINC000452980627 387951409 /nfs/dbraw/zinc/95/14/09/387951409.db2.gz WJGXULUFHFZYLR-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H](C)CC(=O)NC1(CC)CCCC1 ZINC000452980628 387951623 /nfs/dbraw/zinc/95/16/23/387951623.db2.gz WJGXULUFHFZYLR-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CCC(C)(C)CC(=O)NC1(CC)CCCC1 ZINC000452980669 202677175 /nfs/dbraw/zinc/67/71/75/202677175.db2.gz WLXACQBMEIFTFF-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NC1(CC)CCCC1 ZINC000452980817 387951885 /nfs/dbraw/zinc/95/18/85/387951885.db2.gz WZVZIJSLFLFXDX-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NC1(CC)CCCC1 ZINC000452980819 387951920 /nfs/dbraw/zinc/95/19/20/387951920.db2.gz WZVZIJSLFLFXDX-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NC1(CC)CCCC1 ZINC000452980822 202677924 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/nfs/dbraw/zinc/95/38/77/387953877.db2.gz ZEGVEWYYMFWQBQ-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)[C@H]2CCC[C@@H](C)C2)CCCC1 ZINC000452983927 202677319 /nfs/dbraw/zinc/67/73/19/202677319.db2.gz ZEGVEWYYMFWQBQ-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)[C@@H]2CCC[C@H](C)C2)CCCC1 ZINC000452983931 387953705 /nfs/dbraw/zinc/95/37/05/387953705.db2.gz ZEGVEWYYMFWQBQ-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)[C@H]2CCC[C@H](C)C2)CCCC1 ZINC000452983935 387953339 /nfs/dbraw/zinc/95/33/39/387953339.db2.gz ZEGVEWYYMFWQBQ-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(NC(=O)CC2=CCCCC2)CCCC1 ZINC000452984030 387953491 /nfs/dbraw/zinc/95/34/91/387953491.db2.gz ZKUKYRIVUJNQHF-UHFFFAOYSA-N 0 0 235.371 3.716 20 0 BHADRN CCC1(NC(=O)CCC(C)(C)C)CCCC1 ZINC000452984113 387953196 /nfs/dbraw/zinc/95/31/96/387953196.db2.gz ZNXATUAEYYTUJW-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CC(C)C[C@]1(C)CCCN1C(=O)C1=CCCC1 ZINC000452988461 202677110 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CC/C(C)=C\c1nc(Cc2ccc(C)s2)no1 ZINC000453176831 388003773 /nfs/dbraw/zinc/00/37/73/388003773.db2.gz DZZJYPHSEDDOCO-CLFYSBASSA-N 0 0 248.351 3.844 20 0 BHADRN CC/C(C)=C/c1nc(Cc2ccc(C)s2)no1 ZINC000453176832 388002711 /nfs/dbraw/zinc/00/27/11/388002711.db2.gz DZZJYPHSEDDOCO-VQHVLOKHSA-N 0 0 248.351 3.844 20 0 BHADRN CC[C@@H]1C[C@H]1c1nc(-c2sccc2C)no1 ZINC000453177731 388003835 /nfs/dbraw/zinc/00/38/35/388003835.db2.gz GOYVCJZZIRHLPE-RKDXNWHRSA-N 0 0 234.324 3.620 20 0 BHADRN CCC[C@@H](Nc1cnn(CC)c1)C(C)(C)C ZINC000453177774 388003318 /nfs/dbraw/zinc/00/33/18/388003318.db2.gz HBYRCOYOFDBKOP-GFCCVEGCSA-N 0 0 223.364 3.530 20 0 BHADRN CCC[C@H](Nc1cnn(CC)c1)C(C)(C)C ZINC000453177775 388003192 /nfs/dbraw/zinc/00/31/92/388003192.db2.gz HBYRCOYOFDBKOP-LBPRGKRZSA-N 0 0 223.364 3.530 20 0 BHADRN Cc1cscc1N[C@@H](C)Cc1ccoc1 ZINC000453178027 388003784 /nfs/dbraw/zinc/00/37/84/388003784.db2.gz UPZDASPZMTUIRG-JTQLQIEISA-N 0 0 221.325 3.693 20 0 BHADRN Cc1cscc1N[C@H](C)Cc1ccoc1 ZINC000453178029 202705529 /nfs/dbraw/zinc/70/55/29/202705529.db2.gz UPZDASPZMTUIRG-SNVBAGLBSA-N 0 0 221.325 3.693 20 0 BHADRN Cc1cc([C@@H](C)Nc2cc(C)ccn2)cs1 ZINC000453178922 388002951 /nfs/dbraw/zinc/00/29/51/388002951.db2.gz OXNVUNMEZAIEII-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cc([C@H](C)Nc2cc(C)ccn2)cs1 ZINC000453178923 388003120 /nfs/dbraw/zinc/00/31/20/388003120.db2.gz OXNVUNMEZAIEII-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1occc1-c1noc(C(C)(C)C2CCC2)n1 ZINC000453179235 388003445 /nfs/dbraw/zinc/00/34/45/388003445.db2.gz IUZKMKARLKQBQQ-UHFFFAOYSA-N 0 0 246.310 3.716 20 0 BHADRN CC/C(C)=C/c1nc(-c2sccc2C)no1 ZINC000453179266 388003414 /nfs/dbraw/zinc/00/34/14/388003414.db2.gz JAMXSLHBEMGAIM-BQYQJAHWSA-N 0 0 234.324 3.920 20 0 BHADRN CC/C(C)=C\c1nc(-c2sccc2C)no1 ZINC000453179268 388003565 /nfs/dbraw/zinc/00/35/65/388003565.db2.gz JAMXSLHBEMGAIM-FPLPWBNLSA-N 0 0 234.324 3.920 20 0 BHADRN CC[C@H](Nc1ccccc1C)c1ccncc1 ZINC000453179988 388002988 /nfs/dbraw/zinc/00/29/88/388002988.db2.gz QLLCQNOTXABHGL-AWEZNQCLSA-N 0 0 226.323 3.953 20 0 BHADRN CC[C@@H](Nc1ccccc1C)c1ccncc1 ZINC000453179989 388003292 /nfs/dbraw/zinc/00/32/92/388003292.db2.gz QLLCQNOTXABHGL-CQSZACIVSA-N 0 0 226.323 3.953 20 0 BHADRN CC[C@@H]1C[C@H]1c1nc(-c2occc2C(C)C)no1 ZINC000453180621 388003590 /nfs/dbraw/zinc/00/35/90/388003590.db2.gz BAHQGLKESAWWBT-MWLCHTKSSA-N 0 0 246.310 3.967 20 0 BHADRN CC[C@@H](CC(C)C)c1nc(-c2coc(C)n2)no1 ZINC000453180838 388003206 /nfs/dbraw/zinc/00/32/06/388003206.db2.gz KYAGVMBBNNDFIX-JTQLQIEISA-N 0 0 249.314 3.573 20 0 BHADRN CC[C@H](CC(C)C)c1nc(-c2coc(C)n2)no1 ZINC000453180841 388003198 /nfs/dbraw/zinc/00/31/98/388003198.db2.gz KYAGVMBBNNDFIX-SNVBAGLBSA-N 0 0 249.314 3.573 20 0 BHADRN CC[C@H](Nc1cccc(C)c1)c1ccncc1 ZINC000453180934 388003089 /nfs/dbraw/zinc/00/30/89/388003089.db2.gz QREOAXRHDVEJAU-HNNXBMFYSA-N 0 0 226.323 3.953 20 0 BHADRN CC[C@@H](Nc1cccc(C)c1)c1ccncc1 ZINC000453180936 388003251 /nfs/dbraw/zinc/00/32/51/388003251.db2.gz QREOAXRHDVEJAU-OAHLLOKOSA-N 0 0 226.323 3.953 20 0 BHADRN CCC[C@@H](CC(C)C)c1nc(-c2cocn2)no1 ZINC000453181154 388003778 /nfs/dbraw/zinc/00/37/78/388003778.db2.gz RCTMDBKHOMEVOV-JTQLQIEISA-N 0 0 249.314 3.654 20 0 BHADRN CCC[C@H](CC(C)C)c1nc(-c2cocn2)no1 ZINC000453181158 202705517 /nfs/dbraw/zinc/70/55/17/202705517.db2.gz RCTMDBKHOMEVOV-SNVBAGLBSA-N 0 0 249.314 3.654 20 0 BHADRN CC[C@H]1CCC[C@H]1c1nc(-c2ccoc2C)no1 ZINC000453181815 388003254 /nfs/dbraw/zinc/00/32/54/388003254.db2.gz MYFWIRQSYJRVAK-CMPLNLGQSA-N 0 0 246.310 3.932 20 0 BHADRN CC[C@H]1CCC[C@@H]1c1nc(-c2ccoc2C)no1 ZINC000453181819 388003832 /nfs/dbraw/zinc/00/38/32/388003832.db2.gz MYFWIRQSYJRVAK-JQWIXIFHSA-N 0 0 246.310 3.932 20 0 BHADRN CC[C@@H]1CCC[C@@H]1c1nc(-c2ccoc2C)no1 ZINC000453181820 202705936 /nfs/dbraw/zinc/70/59/36/202705936.db2.gz MYFWIRQSYJRVAK-PWSUYJOCSA-N 0 0 246.310 3.932 20 0 BHADRN CC[C@@H]1CCC[C@H]1c1nc(-c2ccoc2C)no1 ZINC000453181821 388003237 /nfs/dbraw/zinc/00/32/37/388003237.db2.gz MYFWIRQSYJRVAK-ZYHUDNBSSA-N 0 0 246.310 3.932 20 0 BHADRN CC(C)(C)n1cc(N[C@H](C2CC2)C2CCC2)cn1 ZINC000453182527 488185461 /nfs/dbraw/zinc/18/54/61/488185461.db2.gz MQYRUFGJUTYDGK-AWEZNQCLSA-N 0 0 247.386 3.629 20 0 BHADRN CC(C)(C)n1cc(N[C@@H](C2CC2)C2CCC2)cn1 ZINC000453182528 488185520 /nfs/dbraw/zinc/18/55/20/488185520.db2.gz MQYRUFGJUTYDGK-CQSZACIVSA-N 0 0 247.386 3.629 20 0 BHADRN CC[C@@H](C)CCc1nc(C2CC(F)(F)C2)no1 ZINC000453183153 388004809 /nfs/dbraw/zinc/00/48/09/388004809.db2.gz GJLZPTNHXGKVQJ-MRVPVSSYSA-N 0 0 244.285 3.561 20 0 BHADRN CC[C@H](C)CCc1nc(C2CC(F)(F)C2)no1 ZINC000453183155 388004963 /nfs/dbraw/zinc/00/49/63/388004963.db2.gz GJLZPTNHXGKVQJ-QMMMGPOBSA-N 0 0 244.285 3.561 20 0 BHADRN CCCC[C@@H](C)c1nc(C2CC(F)(F)C2)no1 ZINC000453183218 202706162 /nfs/dbraw/zinc/70/61/62/202706162.db2.gz GXYJGGLXOLSJPR-MRVPVSSYSA-N 0 0 244.285 3.876 20 0 BHADRN CCCC[C@H](C)c1nc(C2CC(F)(F)C2)no1 ZINC000453183220 388004479 /nfs/dbraw/zinc/00/44/79/388004479.db2.gz GXYJGGLXOLSJPR-QMMMGPOBSA-N 0 0 244.285 3.876 20 0 BHADRN 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ZINC000453184758 388004442 /nfs/dbraw/zinc/00/44/42/388004442.db2.gz KEDOSBHWQPDBOS-UHFFFAOYSA-N 0 0 244.285 3.561 20 0 BHADRN CCn1ccnc1[C@@H](C)Nc1cc(F)ccc1C ZINC000453184778 388005237 /nfs/dbraw/zinc/00/52/37/388005237.db2.gz SDEALPIZMRKOBT-LLVKDONJSA-N 0 0 247.317 3.524 20 0 BHADRN CCn1ccnc1[C@H](C)Nc1cc(F)ccc1C ZINC000453184779 388004337 /nfs/dbraw/zinc/00/43/37/388004337.db2.gz SDEALPIZMRKOBT-NSHDSACASA-N 0 0 247.317 3.524 20 0 BHADRN Cc1occc1-c1noc([C@]2(C)CCC[C@@H]2C)n1 ZINC000453185833 388004938 /nfs/dbraw/zinc/00/49/38/388004938.db2.gz VDBZICUBHZUUJE-LKFCYVNXSA-N 0 0 246.310 3.716 20 0 BHADRN Cc1occc1-c1noc([C@@]2(C)CCC[C@H]2C)n1 ZINC000453185834 202706233 /nfs/dbraw/zinc/70/62/33/202706233.db2.gz VDBZICUBHZUUJE-OTYXRUKQSA-N 0 0 246.310 3.716 20 0 BHADRN Cc1occc1-c1noc([C@@]2(C)CCC[C@@H]2C)n1 ZINC000453185835 388004536 /nfs/dbraw/zinc/00/45/36/388004536.db2.gz VDBZICUBHZUUJE-XPTSAGLGSA-N 0 0 246.310 3.716 20 0 BHADRN Cc1occc1-c1noc([C@]2(C)CCC[C@H]2C)n1 ZINC000453185836 388005270 /nfs/dbraw/zinc/00/52/70/388005270.db2.gz VDBZICUBHZUUJE-YMTOWFKASA-N 0 0 246.310 3.716 20 0 BHADRN CC(C)C[C@@H]1C[C@H]1c1nc(CC2CCC2)no1 ZINC000453186233 388004893 /nfs/dbraw/zinc/00/48/93/388004893.db2.gz TZXFKJCJRIRBGF-VXGBXAGGSA-N 0 0 234.343 3.562 20 0 BHADRN CCC[C@H](OC)c1nc(CCC(C)(C)C)no1 ZINC000453186819 202705815 /nfs/dbraw/zinc/70/58/15/202705815.db2.gz UJNMAVAPLYXBMF-JTQLQIEISA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@@H](OC)c1nc(CCC(C)(C)C)no1 ZINC000453186821 388004168 /nfs/dbraw/zinc/00/41/68/388004168.db2.gz UJNMAVAPLYXBMF-SNVBAGLBSA-N 0 0 240.347 3.536 20 0 BHADRN Cc1occc1-c1noc(CCCC(C)C)n1 ZINC000453187505 202706081 /nfs/dbraw/zinc/70/60/81/202706081.db2.gz YUDZHVDCFUFZEB-UHFFFAOYSA-N 0 0 234.299 3.617 20 0 BHADRN CCC[C@@H](C)Cc1nc(C2CC(F)(F)C2)no1 ZINC000453188443 202705945 /nfs/dbraw/zinc/70/59/45/202705945.db2.gz GFJCHXPPPIJZDZ-MRVPVSSYSA-N 0 0 244.285 3.561 20 0 BHADRN CCC[C@H](C)Cc1nc(C2CC(F)(F)C2)no1 ZINC000453188445 388004758 /nfs/dbraw/zinc/00/47/58/388004758.db2.gz GFJCHXPPPIJZDZ-QMMMGPOBSA-N 0 0 244.285 3.561 20 0 BHADRN CC/C(C)=C\c1nc(C(CC)(CC)OC)no1 ZINC000453191649 388005979 /nfs/dbraw/zinc/00/59/79/388005979.db2.gz XTJZRXIOMSLVLJ-KTKRTIGZSA-N 0 0 238.331 3.545 20 0 BHADRN CC/C(C)=C/c1nc(C(CC)(CC)OC)no1 ZINC000453191650 388001322 /nfs/dbraw/zinc/00/13/22/388001322.db2.gz XTJZRXIOMSLVLJ-MDZDMXLPSA-N 0 0 238.331 3.545 20 0 BHADRN CC(C)C[C@@H](C)c1nc(C2CC(F)(F)C2)no1 ZINC000453191874 388005716 /nfs/dbraw/zinc/00/57/16/388005716.db2.gz HWJBVUSXNNDEQY-MRVPVSSYSA-N 0 0 244.285 3.732 20 0 BHADRN CC(C)C[C@H](C)c1nc(C2CC(F)(F)C2)no1 ZINC000453191881 388006023 /nfs/dbraw/zinc/00/60/23/388006023.db2.gz HWJBVUSXNNDEQY-QMMMGPOBSA-N 0 0 244.285 3.732 20 0 BHADRN CCC[C@@H](OC)c1noc(/C=C/C(C)(C)C)n1 ZINC000453193099 202706093 /nfs/dbraw/zinc/70/60/93/202706093.db2.gz DYYYERORTMHLSU-AAXQSMANSA-N 0 0 238.331 3.617 20 0 BHADRN CCC[C@H](OC)c1noc(/C=C/C(C)(C)C)n1 ZINC000453193101 388006567 /nfs/dbraw/zinc/00/65/67/388006567.db2.gz DYYYERORTMHLSU-DDXVTDLHSA-N 0 0 238.331 3.617 20 0 BHADRN CCC[C@@H](OC)c1noc(/C=C\C(C)(C)C)n1 ZINC000453193102 202706009 /nfs/dbraw/zinc/70/60/09/202706009.db2.gz DYYYERORTMHLSU-HSTULFTRSA-N 0 0 238.331 3.617 20 0 BHADRN CCC[C@H](OC)c1noc(/C=C\C(C)(C)C)n1 ZINC000453193104 388006437 /nfs/dbraw/zinc/00/64/37/388006437.db2.gz DYYYERORTMHLSU-QROTZFDESA-N 0 0 238.331 3.617 20 0 BHADRN CCC[C@H](OC)c1noc(CC(C)(C)CC)n1 ZINC000453194015 388007187 /nfs/dbraw/zinc/00/71/87/388007187.db2.gz GLZHGMJECMPTPP-JTQLQIEISA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@@H](OC)c1noc(CC(C)(C)CC)n1 ZINC000453194016 202706590 /nfs/dbraw/zinc/70/65/90/202706590.db2.gz GLZHGMJECMPTPP-SNVBAGLBSA-N 0 0 240.347 3.536 20 0 BHADRN CCC(CC)Cc1nc(C2CC(F)(F)C2)no1 ZINC000453195620 388006786 /nfs/dbraw/zinc/00/67/86/388006786.db2.gz STHVJONTNJNRCH-UHFFFAOYSA-N 0 0 244.285 3.561 20 0 BHADRN CCC[C@@H](OC)c1noc([C@H](C)CC(C)C)n1 ZINC000453197647 388008057 /nfs/dbraw/zinc/00/80/57/388008057.db2.gz MFVDWKYJMBJUIZ-GHMZBOCLSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@H](OC)c1noc([C@H](C)CC(C)C)n1 ZINC000453197648 388007585 /nfs/dbraw/zinc/00/75/85/388007585.db2.gz MFVDWKYJMBJUIZ-MNOVXSKESA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@H](OC)c1noc([C@@H](C)CC(C)C)n1 ZINC000453197649 388007798 /nfs/dbraw/zinc/00/77/98/388007798.db2.gz MFVDWKYJMBJUIZ-QWRGUYRKSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@@H](OC)c1noc([C@@H](C)CC(C)C)n1 ZINC000453197650 388007889 /nfs/dbraw/zinc/00/78/89/388007889.db2.gz MFVDWKYJMBJUIZ-WDEREUQCSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@@H](OC)c1noc(CC(CC)CC)n1 ZINC000453198845 386230287 /nfs/dbraw/zinc/23/02/87/386230287.db2.gz OPJNBBFYAWMMJT-LLVKDONJSA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@H](OC)c1noc(CC(CC)CC)n1 ZINC000453198846 386229888 /nfs/dbraw/zinc/22/98/88/386229888.db2.gz OPJNBBFYAWMMJT-NSHDSACASA-N 0 0 240.347 3.536 20 0 BHADRN CC[C@@H](N[C@@H](C)c1ccon1)c1ccsc1 ZINC000453198889 388007759 /nfs/dbraw/zinc/00/77/59/388007759.db2.gz PECYQIGOJKRAPB-GXSJLCMTSA-N 0 0 236.340 3.538 20 0 BHADRN CC[C@H](N[C@H](C)c1ccon1)c1ccsc1 ZINC000453198890 388008674 /nfs/dbraw/zinc/00/86/74/388008674.db2.gz PECYQIGOJKRAPB-KOLCDFICSA-N 0 0 236.340 3.538 20 0 BHADRN CC[C@@H](N[C@H](C)c1ccon1)c1ccsc1 ZINC000453198891 388008597 /nfs/dbraw/zinc/00/85/97/388008597.db2.gz PECYQIGOJKRAPB-MWLCHTKSSA-N 0 0 236.340 3.538 20 0 BHADRN CC[C@H](N[C@@H](C)c1ccon1)c1ccsc1 ZINC000453198892 388007821 /nfs/dbraw/zinc/00/78/21/388007821.db2.gz PECYQIGOJKRAPB-ONGXEEELSA-N 0 0 236.340 3.538 20 0 BHADRN Cc1nc(C2CCC(c3ccccc3)CC2)no1 ZINC000453199112 388008552 /nfs/dbraw/zinc/00/85/52/388008552.db2.gz IVGJUXYHKGKMKC-UHFFFAOYSA-N 0 0 242.322 3.819 20 0 BHADRN CCC[C@@H](OC)c1noc(C2=C(C)CCC2)n1 ZINC000453200290 388008694 /nfs/dbraw/zinc/00/86/94/388008694.db2.gz QXKBKHVAYWZOCT-LLVKDONJSA-N 0 0 236.315 3.515 20 0 BHADRN CCC[C@H](OC)c1noc(C2=C(C)CCC2)n1 ZINC000453200291 202706450 /nfs/dbraw/zinc/70/64/50/202706450.db2.gz QXKBKHVAYWZOCT-NSHDSACASA-N 0 0 236.315 3.515 20 0 BHADRN CCC[C@@H](C)Cc1nc([C@@H](CCC)OC)no1 ZINC000453200797 388008885 /nfs/dbraw/zinc/00/88/85/388008885.db2.gz LXTFHTUSIOVOLK-GHMZBOCLSA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@@H](C)Cc1nc([C@H](CCC)OC)no1 ZINC000453200798 202706336 /nfs/dbraw/zinc/70/63/36/202706336.db2.gz LXTFHTUSIOVOLK-MNOVXSKESA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@H](C)Cc1nc([C@H](CCC)OC)no1 ZINC000453200800 388008609 /nfs/dbraw/zinc/00/86/09/388008609.db2.gz LXTFHTUSIOVOLK-QWRGUYRKSA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@@H](OC)c1noc(C[C@@H](C)CCC)n1 ZINC000453200802 388008064 /nfs/dbraw/zinc/00/80/64/388008064.db2.gz LXTFHTUSIOVOLK-WDEREUQCSA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@@H](OC)c1noc([C@@H](C)C(C)(C)C)n1 ZINC000453200959 386226897 /nfs/dbraw/zinc/22/68/97/386226897.db2.gz SNFLRGZXRLRADJ-NXEZZACHSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@H](OC)c1noc([C@H](C)C(C)(C)C)n1 ZINC000453200966 386226926 /nfs/dbraw/zinc/22/69/26/386226926.db2.gz SNFLRGZXRLRADJ-UWVGGRQHSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@@H](OC)c1noc([C@H](C)C(C)(C)C)n1 ZINC000453200969 386227577 /nfs/dbraw/zinc/22/75/77/386227577.db2.gz SNFLRGZXRLRADJ-VHSXEESVSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@H](OC)c1noc([C@@H](C)C(C)(C)C)n1 ZINC000453200977 386227267 /nfs/dbraw/zinc/22/72/67/386227267.db2.gz SNFLRGZXRLRADJ-ZJUUUORDSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@@H](OC)c1noc(C2CCCCC2)n1 ZINC000453204545 388010263 /nfs/dbraw/zinc/01/02/63/388010263.db2.gz RSIVIBSGTWLOED-LLVKDONJSA-N 0 0 238.331 3.605 20 0 BHADRN CCC[C@H](OC)c1noc(C2CCCCC2)n1 ZINC000453204547 388010417 /nfs/dbraw/zinc/01/04/17/388010417.db2.gz RSIVIBSGTWLOED-NSHDSACASA-N 0 0 238.331 3.605 20 0 BHADRN CCC[C@H](OC)c1noc(CCC(C)(C)C)n1 ZINC000453204590 398143521 /nfs/dbraw/zinc/14/35/21/398143521.db2.gz YROLTCFNUIIXNZ-JTQLQIEISA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@@H](OC)c1noc(CCC(C)(C)C)n1 ZINC000453204592 386235500 /nfs/dbraw/zinc/23/55/00/386235500.db2.gz YROLTCFNUIIXNZ-SNVBAGLBSA-N 0 0 240.347 3.536 20 0 BHADRN CC(C)c1nn(C)cc1N[C@H](C1CC1)C1CCC1 ZINC000453205013 202708668 /nfs/dbraw/zinc/70/86/68/202708668.db2.gz CNMWXBMBXHLXQO-HNNXBMFYSA-N 0 0 247.386 3.534 20 0 BHADRN CC(C)c1nn(C)cc1N[C@@H](C1CC1)C1CCC1 ZINC000453205014 386235473 /nfs/dbraw/zinc/23/54/73/386235473.db2.gz CNMWXBMBXHLXQO-OAHLLOKOSA-N 0 0 247.386 3.534 20 0 BHADRN CCCC[C@@H](C)c1nc([C@@H](CCC)OC)no1 ZINC000453211955 388011357 /nfs/dbraw/zinc/01/13/57/388011357.db2.gz FWDGRCXEKZKJFC-GHMZBOCLSA-N 0 0 240.347 3.851 20 0 BHADRN CCCC[C@@H](C)c1nc([C@H](CCC)OC)no1 ZINC000453211956 388011351 /nfs/dbraw/zinc/01/13/51/388011351.db2.gz FWDGRCXEKZKJFC-MNOVXSKESA-N 0 0 240.347 3.851 20 0 BHADRN CCCC[C@H](C)c1nc([C@H](CCC)OC)no1 ZINC000453211957 202707821 /nfs/dbraw/zinc/70/78/21/202707821.db2.gz FWDGRCXEKZKJFC-QWRGUYRKSA-N 0 0 240.347 3.851 20 0 BHADRN CCCC[C@H](C)c1nc([C@@H](CCC)OC)no1 ZINC000453211958 388011494 /nfs/dbraw/zinc/01/14/94/388011494.db2.gz FWDGRCXEKZKJFC-WDEREUQCSA-N 0 0 240.347 3.851 20 0 BHADRN CCC[C@@H](OC)c1noc(CCCC(C)C)n1 ZINC000453214862 202709084 /nfs/dbraw/zinc/70/90/84/202709084.db2.gz IGAIADJHHGURRI-LLVKDONJSA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@H](OC)c1noc(CCCC(C)C)n1 ZINC000453214863 388012568 /nfs/dbraw/zinc/01/25/68/388012568.db2.gz IGAIADJHHGURRI-NSHDSACASA-N 0 0 240.347 3.536 20 0 BHADRN Cc1cc([C@@H](C)NC2(C(F)F)CC2)cs1 ZINC000453217416 388012500 /nfs/dbraw/zinc/01/25/00/388012500.db2.gz OUUDVBXJLXCOMQ-MRVPVSSYSA-N 0 0 231.311 3.505 20 0 BHADRN Cc1cc([C@H](C)NC2(C(F)F)CC2)cs1 ZINC000453217417 388012656 /nfs/dbraw/zinc/01/26/56/388012656.db2.gz OUUDVBXJLXCOMQ-QMMMGPOBSA-N 0 0 231.311 3.505 20 0 BHADRN CC1(C)CCC(c2nc(CCCF)no2)CC1 ZINC000453223914 398143945 /nfs/dbraw/zinc/14/39/45/398143945.db2.gz AFGGREGKYGARIY-UHFFFAOYSA-N 0 0 240.322 3.656 20 0 BHADRN FCCCc1noc(/C=C/C2CCCCC2)n1 ZINC000453224896 388015004 /nfs/dbraw/zinc/01/50/04/388015004.db2.gz BYYIZRFJEYLWKS-CMDGGOBGSA-N 0 0 238.306 3.565 20 0 BHADRN FCCCc1noc(/C=C\C2CCCCC2)n1 ZINC000453224898 388014427 /nfs/dbraw/zinc/01/44/27/388014427.db2.gz BYYIZRFJEYLWKS-HJWRWDBZSA-N 0 0 238.306 3.565 20 0 BHADRN CCCC(CCC)c1nc(CCCF)no1 ZINC000453229096 388015720 /nfs/dbraw/zinc/01/57/20/388015720.db2.gz FTUWMNJPMYAJPF-UHFFFAOYSA-N 0 0 228.311 3.656 20 0 BHADRN CC[C@@H](N[C@@H](C)c1cccc(C)c1)C(F)F ZINC000453229271 388016628 /nfs/dbraw/zinc/01/66/28/388016628.db2.gz CLVLJRIMRFYXBO-CMPLNLGQSA-N 0 0 227.298 3.689 20 0 BHADRN CC[C@H](N[C@@H](C)c1cccc(C)c1)C(F)F ZINC000453229281 388015863 /nfs/dbraw/zinc/01/58/63/388015863.db2.gz CLVLJRIMRFYXBO-JQWIXIFHSA-N 0 0 227.298 3.689 20 0 BHADRN CC[C@H](N[C@H](C)c1cccc(C)c1)C(F)F ZINC000453229283 388016391 /nfs/dbraw/zinc/01/63/91/388016391.db2.gz CLVLJRIMRFYXBO-PWSUYJOCSA-N 0 0 227.298 3.689 20 0 BHADRN CC[C@@H](N[C@H](C)c1cccc(C)c1)C(F)F ZINC000453229290 388015640 /nfs/dbraw/zinc/01/56/40/388015640.db2.gz CLVLJRIMRFYXBO-ZYHUDNBSSA-N 0 0 227.298 3.689 20 0 BHADRN C[C@@H](CC1CCCC1)c1nc(CCCF)no1 ZINC000453230056 202713915 /nfs/dbraw/zinc/71/39/15/202713915.db2.gz GSJMXOFWCZOZNC-JTQLQIEISA-N 0 0 240.322 3.656 20 0 BHADRN C[C@H](CC1CCCC1)c1nc(CCCF)no1 ZINC000453230058 202714170 /nfs/dbraw/zinc/71/41/70/202714170.db2.gz GSJMXOFWCZOZNC-SNVBAGLBSA-N 0 0 240.322 3.656 20 0 BHADRN CC[C@@H](N[C@@H]1CCc2c1cccc2C)C(F)F ZINC000453230292 388017566 /nfs/dbraw/zinc/01/75/66/388017566.db2.gz DPXWFWBHIQTNHG-CHWSQXEVSA-N 0 0 239.309 3.616 20 0 BHADRN CC[C@@H](N[C@H]1CCc2c1cccc2C)C(F)F ZINC000453230293 388017283 /nfs/dbraw/zinc/01/72/83/388017283.db2.gz DPXWFWBHIQTNHG-OLZOCXBDSA-N 0 0 239.309 3.616 20 0 BHADRN CC[C@H](N[C@@H]1CCc2c1cccc2C)C(F)F ZINC000453230294 388017673 /nfs/dbraw/zinc/01/76/73/388017673.db2.gz DPXWFWBHIQTNHG-QWHCGFSZSA-N 0 0 239.309 3.616 20 0 BHADRN CC[C@H](N[C@H]1CCc2c1cccc2C)C(F)F ZINC000453230295 386262254 /nfs/dbraw/zinc/26/22/54/386262254.db2.gz DPXWFWBHIQTNHG-STQMWFEESA-N 0 0 239.309 3.616 20 0 BHADRN CC[C@@H](N[C@@H](C)c1ccccc1C)C(F)F ZINC000453230443 388017885 /nfs/dbraw/zinc/01/78/85/388017885.db2.gz DZBJOTARHAHKHK-CMPLNLGQSA-N 0 0 227.298 3.689 20 0 BHADRN CC[C@H](N[C@@H](C)c1ccccc1C)C(F)F ZINC000453230444 388018029 /nfs/dbraw/zinc/01/80/29/388018029.db2.gz DZBJOTARHAHKHK-JQWIXIFHSA-N 0 0 227.298 3.689 20 0 BHADRN CC[C@H](N[C@H](C)c1ccccc1C)C(F)F ZINC000453230446 388018062 /nfs/dbraw/zinc/01/80/62/388018062.db2.gz DZBJOTARHAHKHK-PWSUYJOCSA-N 0 0 227.298 3.689 20 0 BHADRN CC[C@@H](N[C@H](C)c1ccccc1C)C(F)F ZINC000453230448 388017748 /nfs/dbraw/zinc/01/77/48/388017748.db2.gz DZBJOTARHAHKHK-ZYHUDNBSSA-N 0 0 227.298 3.689 20 0 BHADRN CCC[C@@H](OC)c1noc(CC[C@H](C)CC)n1 ZINC000453231258 202714008 /nfs/dbraw/zinc/71/40/08/202714008.db2.gz VDKYRHGZNASMJW-GHMZBOCLSA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@H](OC)c1noc(CC[C@H](C)CC)n1 ZINC000453231259 388017875 /nfs/dbraw/zinc/01/78/75/388017875.db2.gz VDKYRHGZNASMJW-MNOVXSKESA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@H](OC)c1noc(CC[C@@H](C)CC)n1 ZINC000453231260 388017870 /nfs/dbraw/zinc/01/78/70/388017870.db2.gz VDKYRHGZNASMJW-QWRGUYRKSA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@@H](OC)c1noc(CC[C@@H](C)CC)n1 ZINC000453231261 388018040 /nfs/dbraw/zinc/01/80/40/388018040.db2.gz VDKYRHGZNASMJW-WDEREUQCSA-N 0 0 240.347 3.536 20 0 BHADRN CC[C@@H](N[C@@H](C)c1cc(C)oc1C)C(F)F ZINC000453231900 388017111 /nfs/dbraw/zinc/01/71/11/388017111.db2.gz FROFOJSROFYVBC-GZMMTYOYSA-N 0 0 231.286 3.591 20 0 BHADRN CC[C@H](N[C@H](C)c1cc(C)oc1C)C(F)F ZINC000453231902 388017755 /nfs/dbraw/zinc/01/77/55/388017755.db2.gz FROFOJSROFYVBC-KCJUWKMLSA-N 0 0 231.286 3.591 20 0 BHADRN CC[C@H](N[C@@H](C)c1cc(C)oc1C)C(F)F ZINC000453231905 202713763 /nfs/dbraw/zinc/71/37/63/202713763.db2.gz FROFOJSROFYVBC-KWQFWETISA-N 0 0 231.286 3.591 20 0 BHADRN CC[C@@H](N[C@H](C)c1cc(C)oc1C)C(F)F ZINC000453231907 388017591 /nfs/dbraw/zinc/01/75/91/388017591.db2.gz FROFOJSROFYVBC-LDYMZIIASA-N 0 0 231.286 3.591 20 0 BHADRN CCc1ccc([C@@H](C)N[C@H](CC)C(F)F)o1 ZINC000453232033 388017897 /nfs/dbraw/zinc/01/78/97/388017897.db2.gz GCVZLNCFASLTHQ-PSASIEDQSA-N 0 0 231.286 3.536 20 0 BHADRN CCc1ccc([C@@H](C)N[C@@H](CC)C(F)F)o1 ZINC000453232035 388017783 /nfs/dbraw/zinc/01/77/83/388017783.db2.gz GCVZLNCFASLTHQ-SCZZXKLOSA-N 0 0 231.286 3.536 20 0 BHADRN CCc1ccc([C@H](C)N[C@H](CC)C(F)F)o1 ZINC000453232037 388014454 /nfs/dbraw/zinc/01/44/54/388014454.db2.gz GCVZLNCFASLTHQ-WCBMZHEXSA-N 0 0 231.286 3.536 20 0 BHADRN CCc1ccc([C@H](C)N[C@@H](CC)C(F)F)o1 ZINC000453232038 388014672 /nfs/dbraw/zinc/01/46/72/388014672.db2.gz GCVZLNCFASLTHQ-WPRPVWTQSA-N 0 0 231.286 3.536 20 0 BHADRN C[C@@H]1CC[C@@H](c2nc(CCCF)no2)C[C@H]1C ZINC000453232130 388017101 /nfs/dbraw/zinc/01/71/01/388017101.db2.gz GLMHPSSVRFYOPT-GMTAPVOTSA-N 0 0 240.322 3.511 20 0 BHADRN C[C@@H]1CC[C@H](c2nc(CCCF)no2)C[C@H]1C ZINC000453232133 388018100 /nfs/dbraw/zinc/01/81/00/388018100.db2.gz GLMHPSSVRFYOPT-MXWKQRLJSA-N 0 0 240.322 3.511 20 0 BHADRN C[C@@H]1CC[C@@H](c2nc(CCCF)no2)C[C@@H]1C ZINC000453232135 388017671 /nfs/dbraw/zinc/01/76/71/388017671.db2.gz GLMHPSSVRFYOPT-OUAUKWLOSA-N 0 0 240.322 3.511 20 0 BHADRN C[C@@H]1CC[C@H](c2nc(CCCF)no2)C[C@@H]1C ZINC000453232136 388017811 /nfs/dbraw/zinc/01/78/11/388017811.db2.gz GLMHPSSVRFYOPT-VWYCJHECSA-N 0 0 240.322 3.511 20 0 BHADRN CC1(C)CCC[C@H](c2nc(CCCF)no2)C1 ZINC000453232697 388017197 /nfs/dbraw/zinc/01/71/97/388017197.db2.gz KHESIPZESVTMDI-JTQLQIEISA-N 0 0 240.322 3.656 20 0 BHADRN CC1(C)CCC[C@@H](c2nc(CCCF)no2)C1 ZINC000453232699 388017069 /nfs/dbraw/zinc/01/70/69/388017069.db2.gz KHESIPZESVTMDI-SNVBAGLBSA-N 0 0 240.322 3.656 20 0 BHADRN CC[C@@H](N[C@H](C)c1csc(C)c1)C(F)F ZINC000453233058 388018013 /nfs/dbraw/zinc/01/80/13/388018013.db2.gz GYLLUTIARDPOIS-PSASIEDQSA-N 0 0 233.327 3.751 20 0 BHADRN CC[C@H](N[C@H](C)c1csc(C)c1)C(F)F ZINC000453233059 388014732 /nfs/dbraw/zinc/01/47/32/388014732.db2.gz GYLLUTIARDPOIS-SCZZXKLOSA-N 0 0 233.327 3.751 20 0 BHADRN CC[C@@H](N[C@@H](C)c1csc(C)c1)C(F)F ZINC000453233060 388014637 /nfs/dbraw/zinc/01/46/37/388014637.db2.gz GYLLUTIARDPOIS-WCBMZHEXSA-N 0 0 233.327 3.751 20 0 BHADRN CC[C@H](N[C@@H](C)c1csc(C)c1)C(F)F ZINC000453233061 202712262 /nfs/dbraw/zinc/71/22/62/202712262.db2.gz GYLLUTIARDPOIS-WPRPVWTQSA-N 0 0 233.327 3.751 20 0 BHADRN CC[C@H](N[C@@H](C)c1cc(F)ccc1F)C(F)F ZINC000453233090 388019237 /nfs/dbraw/zinc/01/92/37/388019237.db2.gz HCZUDFVXANSMDV-CPCISQLKSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@H](N[C@H](C)c1cc(F)ccc1F)C(F)F ZINC000453233102 388018580 /nfs/dbraw/zinc/01/85/80/388018580.db2.gz HCZUDFVXANSMDV-HQJQHLMTSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@H](C)c1cc(F)ccc1F)C(F)F ZINC000453233104 388019436 /nfs/dbraw/zinc/01/94/36/388019436.db2.gz HCZUDFVXANSMDV-RDDDGLTNSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@@H](C)c1cc(F)ccc1F)C(F)F ZINC000453233105 388019592 /nfs/dbraw/zinc/01/95/92/388019592.db2.gz HCZUDFVXANSMDV-WRWORJQWSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](NC1(C(F)F)CC1)c1ccsc1 ZINC000453233116 388019512 /nfs/dbraw/zinc/01/95/12/388019512.db2.gz YTHDIQQSZLVXDO-SECBINFHSA-N 0 0 231.311 3.587 20 0 BHADRN CC[C@H](NC1(C(F)F)CC1)c1ccsc1 ZINC000453233125 388019558 /nfs/dbraw/zinc/01/95/58/388019558.db2.gz YTHDIQQSZLVXDO-VIFPVBQESA-N 0 0 231.311 3.587 20 0 BHADRN CC[C@H](N[C@@H](C)c1ccc(F)cc1F)C(F)F ZINC000453233158 388019110 /nfs/dbraw/zinc/01/91/10/388019110.db2.gz HFTDDIAQONPZIR-CPCISQLKSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@H](N[C@H](C)c1ccc(F)cc1F)C(F)F ZINC000453233160 202711636 /nfs/dbraw/zinc/71/16/36/202711636.db2.gz HFTDDIAQONPZIR-HQJQHLMTSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@H](C)c1ccc(F)cc1F)C(F)F ZINC000453233161 388016159 /nfs/dbraw/zinc/01/61/59/388016159.db2.gz HFTDDIAQONPZIR-RDDDGLTNSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@@H](C)c1ccc(F)cc1F)C(F)F ZINC000453233163 388016613 /nfs/dbraw/zinc/01/66/13/388016613.db2.gz HFTDDIAQONPZIR-WRWORJQWSA-N 0 0 249.251 3.659 20 0 BHADRN CCCC[C@@H](CC)Cc1nc(CCCF)no1 ZINC000453233397 388019706 /nfs/dbraw/zinc/01/97/06/388019706.db2.gz KYFMXHCWRNZQPK-LLVKDONJSA-N 0 0 242.338 3.731 20 0 BHADRN CCCC[C@H](CC)Cc1nc(CCCF)no1 ZINC000453233398 388018933 /nfs/dbraw/zinc/01/89/33/388018933.db2.gz KYFMXHCWRNZQPK-NSHDSACASA-N 0 0 242.338 3.731 20 0 BHADRN CCCC(=Cc1nc(CCCF)no1)CCC ZINC000453239882 388021634 /nfs/dbraw/zinc/02/16/34/388021634.db2.gz UWFLYQHGCLXEBI-UHFFFAOYSA-N 0 0 240.322 3.955 20 0 BHADRN CC(C)c1ccc(-c2nc(CCCF)no2)cc1 ZINC000453242154 388021638 /nfs/dbraw/zinc/02/16/38/388021638.db2.gz VKWKLMAOQXQJDB-UHFFFAOYSA-N 0 0 248.301 3.762 20 0 BHADRN CC[C@@H](N[C@@H](CC)C(F)F)c1cccc(F)c1 ZINC000453242716 388019224 /nfs/dbraw/zinc/01/92/24/388019224.db2.gz HRANROGLIHSTLA-NEPJUHHUSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@@H](N[C@@H](CC)c1cccc(F)c1)C(F)F ZINC000453242726 388019676 /nfs/dbraw/zinc/01/96/76/388019676.db2.gz HRANROGLIHSTLA-NWDGAFQWSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@H](N[C@@H](CC)C(F)F)c1cccc(F)c1 ZINC000453242738 388019683 /nfs/dbraw/zinc/01/96/83/388019683.db2.gz HRANROGLIHSTLA-RYUDHWBXSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@@H](N[C@H](CC)C(F)F)c1cccc(F)c1 ZINC000453242750 388019022 /nfs/dbraw/zinc/01/90/22/388019022.db2.gz HRANROGLIHSTLA-VXGBXAGGSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@@H](N[C@@H](CC)C(F)F)c1ccc(F)cc1 ZINC000453242896 388022053 /nfs/dbraw/zinc/02/20/53/388022053.db2.gz IGHJCFAATBZMIO-NEPJUHHUSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@@H](N[C@@H](CC)c1ccc(F)cc1)C(F)F ZINC000453242897 388022274 /nfs/dbraw/zinc/02/22/74/388022274.db2.gz IGHJCFAATBZMIO-NWDGAFQWSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@H](N[C@@H](CC)C(F)F)c1ccc(F)cc1 ZINC000453242899 388021576 /nfs/dbraw/zinc/02/15/76/388021576.db2.gz IGHJCFAATBZMIO-RYUDHWBXSA-N 0 0 245.288 3.910 20 0 BHADRN CC[C@@H](N[C@H](CC)C(F)F)c1ccc(F)cc1 ZINC000453242902 388021778 /nfs/dbraw/zinc/02/17/78/388021778.db2.gz IGHJCFAATBZMIO-VXGBXAGGSA-N 0 0 245.288 3.910 20 0 BHADRN C[C@H](CC(C)(C)C)c1nc(CCCF)no1 ZINC000453242904 388021811 /nfs/dbraw/zinc/02/18/11/388021811.db2.gz IGMIVEBSAWIQGP-SECBINFHSA-N 0 0 228.311 3.511 20 0 BHADRN C[C@@H](CC(C)(C)C)c1nc(CCCF)no1 ZINC000453242906 388021885 /nfs/dbraw/zinc/02/18/85/388021885.db2.gz IGMIVEBSAWIQGP-VIFPVBQESA-N 0 0 228.311 3.511 20 0 BHADRN CC[C@H](N[C@@H](C)c1ccc(F)c(F)c1)C(F)F ZINC000453242930 388022039 /nfs/dbraw/zinc/02/20/39/388022039.db2.gz ILMXWDOEGLDVMG-CPCISQLKSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@H](N[C@H](C)c1ccc(F)c(F)c1)C(F)F ZINC000453242931 388022505 /nfs/dbraw/zinc/02/25/05/388022505.db2.gz ILMXWDOEGLDVMG-HQJQHLMTSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@H](C)c1ccc(F)c(F)c1)C(F)F ZINC000453242933 388021651 /nfs/dbraw/zinc/02/16/51/388021651.db2.gz ILMXWDOEGLDVMG-RDDDGLTNSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)C(F)F ZINC000453242936 388022135 /nfs/dbraw/zinc/02/21/35/388022135.db2.gz ILMXWDOEGLDVMG-WRWORJQWSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@H]1CC[C@H](c2nc(CCCF)no2)CC1 ZINC000453242951 388022622 /nfs/dbraw/zinc/02/26/22/388022622.db2.gz IOVXJOOXERJBHX-XYPYZODXSA-N 0 0 240.322 3.656 20 0 BHADRN C[C@H]1CC(c2nc(CCCF)no2)C[C@H](C)C1 ZINC000453243003 352479832 /nfs/dbraw/zinc/47/98/32/352479832.db2.gz IURYQCDWDWGOKZ-NXEZZACHSA-N 0 0 240.322 3.511 20 0 BHADRN C[C@H]1C[C@H](c2nc(CCCF)no2)C[C@@H](C)C1 ZINC000453243009 352479868 /nfs/dbraw/zinc/47/98/68/352479868.db2.gz IURYQCDWDWGOKZ-URLYPYJESA-N 0 0 240.322 3.511 20 0 BHADRN C[C@@H]1CC(c2nc(CCCF)no2)C[C@@H](C)C1 ZINC000453243018 352481068 /nfs/dbraw/zinc/48/10/68/352481068.db2.gz IURYQCDWDWGOKZ-UWVGGRQHSA-N 0 0 240.322 3.511 20 0 BHADRN CC[C@H](N[C@@H](C)c1cc(F)cc(F)c1)C(F)F ZINC000453243715 388023998 /nfs/dbraw/zinc/02/39/98/388023998.db2.gz JJXHEZWXPADPRL-CPCISQLKSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@H](N[C@H](C)c1cc(F)cc(F)c1)C(F)F ZINC000453243716 388023038 /nfs/dbraw/zinc/02/30/38/388023038.db2.gz JJXHEZWXPADPRL-HQJQHLMTSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@H](C)c1cc(F)cc(F)c1)C(F)F ZINC000453243717 388024217 /nfs/dbraw/zinc/02/42/17/388024217.db2.gz JJXHEZWXPADPRL-RDDDGLTNSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)C(F)F ZINC000453243718 202713845 /nfs/dbraw/zinc/71/38/45/202713845.db2.gz JJXHEZWXPADPRL-WRWORJQWSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@@H](CC)C(F)F)c1cccs1 ZINC000453243745 388024075 /nfs/dbraw/zinc/02/40/75/388024075.db2.gz JKXILSKJGLPIEO-BDAKNGLRSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@@H](N[C@@H](CC)c1cccs1)C(F)F ZINC000453243748 388023527 /nfs/dbraw/zinc/02/35/27/388023527.db2.gz JKXILSKJGLPIEO-DTWKUNHWSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@H](N[C@@H](CC)C(F)F)c1cccs1 ZINC000453243751 388023732 /nfs/dbraw/zinc/02/37/32/388023732.db2.gz JKXILSKJGLPIEO-IUCAKERBSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@@H](N[C@H](CC)C(F)F)c1cccs1 ZINC000453243752 388023912 /nfs/dbraw/zinc/02/39/12/388023912.db2.gz JKXILSKJGLPIEO-RKDXNWHRSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@@H](CC(C)C)c1nc(CCCF)no1 ZINC000453244778 388023725 /nfs/dbraw/zinc/02/37/25/388023725.db2.gz KCRDFROSHKRKQX-JTQLQIEISA-N 0 0 228.311 3.511 20 0 BHADRN CC[C@H](CC(C)C)c1nc(CCCF)no1 ZINC000453244779 388023900 /nfs/dbraw/zinc/02/39/00/388023900.db2.gz KCRDFROSHKRKQX-SNVBAGLBSA-N 0 0 228.311 3.511 20 0 BHADRN CCC1(c2nc(CCCF)no2)CCCCC1 ZINC000453244849 388023702 /nfs/dbraw/zinc/02/37/02/388023702.db2.gz KHJVTFFCDUUDJX-UHFFFAOYSA-N 0 0 240.322 3.584 20 0 BHADRN CC[C@@H]1CCCC[C@H]1c1nc(CCCF)no1 ZINC000453245504 388023972 /nfs/dbraw/zinc/02/39/72/388023972.db2.gz KYCSKOWTXWAAOQ-GHMZBOCLSA-N 0 0 240.322 3.656 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1c1nc(CCCF)no1 ZINC000453245505 388023754 /nfs/dbraw/zinc/02/37/54/388023754.db2.gz KYCSKOWTXWAAOQ-MNOVXSKESA-N 0 0 240.322 3.656 20 0 BHADRN CC[C@H]1CCCC[C@@H]1c1nc(CCCF)no1 ZINC000453245506 388023423 /nfs/dbraw/zinc/02/34/23/388023423.db2.gz KYCSKOWTXWAAOQ-QWRGUYRKSA-N 0 0 240.322 3.656 20 0 BHADRN CC[C@H]1CCCC[C@H]1c1nc(CCCF)no1 ZINC000453245508 388023130 /nfs/dbraw/zinc/02/31/30/388023130.db2.gz KYCSKOWTXWAAOQ-WDEREUQCSA-N 0 0 240.322 3.656 20 0 BHADRN CC[C@@H](N[C@H](C)c1cccc(F)c1F)C(F)F ZINC000453245709 386273497 /nfs/dbraw/zinc/27/34/97/386273497.db2.gz LVBNAHDQOJOSRN-GMSGAONNSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@@H](N[C@@H](C)c1cccc(F)c1F)C(F)F ZINC000453245710 386273216 /nfs/dbraw/zinc/27/32/16/386273216.db2.gz LVBNAHDQOJOSRN-OIBJUYFYSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@H](N[C@H](C)c1cccc(F)c1F)C(F)F ZINC000453245712 386271949 /nfs/dbraw/zinc/27/19/49/386271949.db2.gz LVBNAHDQOJOSRN-XCBNKYQSSA-N 0 0 249.251 3.659 20 0 BHADRN CC[C@H](N[C@@H](C)c1cccc(F)c1F)C(F)F ZINC000453245718 386273012 /nfs/dbraw/zinc/27/30/12/386273012.db2.gz LVBNAHDQOJOSRN-XVKPBYJWSA-N 0 0 249.251 3.659 20 0 BHADRN C[C@@H](CCC(C)(C)C)c1nc(CCCF)no1 ZINC000453246158 388023954 /nfs/dbraw/zinc/02/39/54/388023954.db2.gz MJRVWHDCEWMQKU-JTQLQIEISA-N 0 0 242.338 3.902 20 0 BHADRN C[C@H](CCC(C)(C)C)c1nc(CCCF)no1 ZINC000453246160 388023612 /nfs/dbraw/zinc/02/36/12/388023612.db2.gz MJRVWHDCEWMQKU-SNVBAGLBSA-N 0 0 242.338 3.902 20 0 BHADRN CCC[C@H](CC(C)C)c1nc(CCCF)no1 ZINC000453246175 388023640 /nfs/dbraw/zinc/02/36/40/388023640.db2.gz MPHAOZUJIOHCCT-LLVKDONJSA-N 0 0 242.338 3.902 20 0 BHADRN CCC[C@@H](CC(C)C)c1nc(CCCF)no1 ZINC000453246176 388023861 /nfs/dbraw/zinc/02/38/61/388023861.db2.gz MPHAOZUJIOHCCT-NSHDSACASA-N 0 0 242.338 3.902 20 0 BHADRN CC[C@@H](Nc1ccccc1OCCF)C1CC1 ZINC000453246794 386272452 /nfs/dbraw/zinc/27/24/52/386272452.db2.gz DHTLGKYXVNQTSJ-GFCCVEGCSA-N 0 0 237.318 3.635 20 0 BHADRN CC[C@H](Nc1ccccc1OCCF)C1CC1 ZINC000453246795 386273400 /nfs/dbraw/zinc/27/34/00/386273400.db2.gz DHTLGKYXVNQTSJ-LBPRGKRZSA-N 0 0 237.318 3.635 20 0 BHADRN CC[C@@H](N[C@H](CC)C(F)F)c1ccsc1 ZINC000453247074 388024808 /nfs/dbraw/zinc/02/48/08/388024808.db2.gz NTPKKZOXZDNOFW-NXEZZACHSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@H](N[C@@H](CC)C(F)F)c1ccsc1 ZINC000453247075 388025084 /nfs/dbraw/zinc/02/50/84/388025084.db2.gz NTPKKZOXZDNOFW-UWVGGRQHSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@@H](N[C@@H](CC)c1ccsc1)C(F)F ZINC000453247077 388025677 /nfs/dbraw/zinc/02/56/77/388025677.db2.gz NTPKKZOXZDNOFW-VHSXEESVSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@@H](N[C@@H](CC)C(F)F)c1ccsc1 ZINC000453247079 388025381 /nfs/dbraw/zinc/02/53/81/388025381.db2.gz NTPKKZOXZDNOFW-ZJUUUORDSA-N 0 0 233.327 3.833 20 0 BHADRN CC[C@H](N[C@H](C)c1ccc(C)s1)C(F)F ZINC000453247083 388025671 /nfs/dbraw/zinc/02/56/71/388025671.db2.gz NWSBEPGSUSMNOQ-BDAKNGLRSA-N 0 0 233.327 3.751 20 0 BHADRN CC[C@@H](N[C@@H](C)c1ccc(C)s1)C(F)F ZINC000453247084 388025480 /nfs/dbraw/zinc/02/54/80/388025480.db2.gz NWSBEPGSUSMNOQ-DTWKUNHWSA-N 0 0 233.327 3.751 20 0 BHADRN CC[C@H](N[C@@H](C)c1ccc(C)s1)C(F)F ZINC000453247085 388025141 /nfs/dbraw/zinc/02/51/41/388025141.db2.gz NWSBEPGSUSMNOQ-IUCAKERBSA-N 0 0 233.327 3.751 20 0 BHADRN CC[C@@H](N[C@H](C)c1ccc(C)s1)C(F)F ZINC000453247086 388025154 /nfs/dbraw/zinc/02/51/54/388025154.db2.gz NWSBEPGSUSMNOQ-RKDXNWHRSA-N 0 0 233.327 3.751 20 0 BHADRN CCC[C@@H](Nc1cn(C)nc1C1CC1)C1CCC1 ZINC000453247462 388025387 /nfs/dbraw/zinc/02/53/87/388025387.db2.gz WHHMLMBXFCDPJL-CYBMUJFWSA-N 0 0 247.386 3.678 20 0 BHADRN CCC[C@H](Nc1cn(C)nc1C1CC1)C1CCC1 ZINC000453247463 388025581 /nfs/dbraw/zinc/02/55/81/388025581.db2.gz WHHMLMBXFCDPJL-ZDUSSCGKSA-N 0 0 247.386 3.678 20 0 BHADRN CC1(c2nc(CCCF)no2)CCCCCC1 ZINC000453248264 388025433 /nfs/dbraw/zinc/02/54/33/388025433.db2.gz PANPHYCWUAXJOT-UHFFFAOYSA-N 0 0 240.322 3.584 20 0 BHADRN CC[C@@H](N[C@@H](CC)C(F)F)c1ccccc1 ZINC000453248375 388025208 /nfs/dbraw/zinc/02/52/08/388025208.db2.gz PNYRBTKVTZCLFE-NEPJUHHUSA-N 0 0 227.298 3.771 20 0 BHADRN CC[C@@H](N[C@@H](CC)c1ccccc1)C(F)F ZINC000453248376 388024986 /nfs/dbraw/zinc/02/49/86/388024986.db2.gz PNYRBTKVTZCLFE-NWDGAFQWSA-N 0 0 227.298 3.771 20 0 BHADRN CC[C@H](N[C@@H](CC)C(F)F)c1ccccc1 ZINC000453248377 388025189 /nfs/dbraw/zinc/02/51/89/388025189.db2.gz PNYRBTKVTZCLFE-RYUDHWBXSA-N 0 0 227.298 3.771 20 0 BHADRN CC[C@@H](N[C@H](CC)C(F)F)c1ccccc1 ZINC000453249220 388025300 /nfs/dbraw/zinc/02/53/00/388025300.db2.gz 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ZINC000453294141 388036588 /nfs/dbraw/zinc/03/65/88/388036588.db2.gz XBOWKUWBCCCSIA-MRVPVSSYSA-N 0 0 249.314 3.635 20 0 BHADRN CCCC[C@H](C)c1nc(-c2c(C)noc2C)no1 ZINC000453294142 388037025 /nfs/dbraw/zinc/03/70/25/388037025.db2.gz XBOWKUWBCCCSIA-QMMMGPOBSA-N 0 0 249.314 3.635 20 0 BHADRN CCC(=Cc1nc(-c2c(C)noc2C)no1)CC ZINC000453294166 219886884 /nfs/dbraw/zinc/88/68/84/219886884.db2.gz XFCDLZOKELNDPU-UHFFFAOYSA-N 0 0 247.298 3.545 20 0 BHADRN CC(C)c1ccoc1-c1nc(C2(C)CC2)no1 ZINC000453294318 388037230 /nfs/dbraw/zinc/03/72/30/388037230.db2.gz FEFIUDXMVDNANR-UHFFFAOYSA-N 0 0 232.283 3.505 20 0 BHADRN C/C=C(\C)c1nc(Cc2cc(C)ccc2F)no1 ZINC000453295922 386365840 /nfs/dbraw/zinc/36/58/40/386365840.db2.gz QDWOLFNTIYTECR-ONNFQVAWSA-N 0 0 246.285 3.531 20 0 BHADRN C/C=C(/C)c1nc(Cc2cc(C)ccc2F)no1 ZINC000453295931 386366282 /nfs/dbraw/zinc/36/62/82/386366282.db2.gz QDWOLFNTIYTECR-WMZJFQQLSA-N 0 0 246.285 3.531 20 0 BHADRN Cc1cc([C@@H](C)N[C@H](C)C(C)(F)F)oc1C ZINC000453297440 388038185 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/nfs/dbraw/zinc/03/88/71/388038871.db2.gz UHBHOKKFZRXJIO-IUCAKERBSA-N 0 0 231.286 3.536 20 0 BHADRN CCc1ccc([C@@H](C)N[C@H](C)C(C)(F)F)o1 ZINC000453299080 388038701 /nfs/dbraw/zinc/03/87/01/388038701.db2.gz UHBHOKKFZRXJIO-RKDXNWHRSA-N 0 0 231.286 3.536 20 0 BHADRN CC[C@@H](CC(C)C)c1nc(C2(C)CC2)no1 ZINC000453299303 202730298 /nfs/dbraw/zinc/73/02/98/202730298.db2.gz JXMXXGFYUCTWII-JTQLQIEISA-N 0 0 222.332 3.661 20 0 BHADRN CC[C@H](CC(C)C)c1nc(C2(C)CC2)no1 ZINC000453299304 202731688 /nfs/dbraw/zinc/73/16/88/202731688.db2.gz JXMXXGFYUCTWII-SNVBAGLBSA-N 0 0 222.332 3.661 20 0 BHADRN CCC[C@@](C)(CC)c1nc(C2(C)CC2)no1 ZINC000453300326 388038498 /nfs/dbraw/zinc/03/84/98/388038498.db2.gz LWJUAIDLEQIIHT-GFCCVEGCSA-N 0 0 222.332 3.589 20 0 BHADRN CCC[C@](C)(CC)c1nc(C2(C)CC2)no1 ZINC000453300327 202731294 /nfs/dbraw/zinc/73/12/94/202731294.db2.gz LWJUAIDLEQIIHT-LBPRGKRZSA-N 0 0 222.332 3.589 20 0 BHADRN CC[C@@H]1C[C@H]1c1nc(C(C)(C)C2CCC2)no1 ZINC000453300458 388038338 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LSUVIZOLAWUSTI-NSHDSACASA-N 0 0 207.317 3.684 20 0 BHADRN C/C(=C\c1nc(C2(C)CC2)no1)C(C)(C)C ZINC000453307867 388041191 /nfs/dbraw/zinc/04/11/91/388041191.db2.gz CJCIYQUSAFNNCE-CMDGGOBGSA-N 0 0 220.316 3.571 20 0 BHADRN C/C(=C/c1nc(C2(C)CC2)no1)C(C)(C)C ZINC000453307871 388040568 /nfs/dbraw/zinc/04/05/68/388040568.db2.gz CJCIYQUSAFNNCE-HJWRWDBZSA-N 0 0 220.316 3.571 20 0 BHADRN Cc1c(Cl)cccc1-c1nc(C2(C)CC2)no1 ZINC000453308604 388040915 /nfs/dbraw/zinc/04/09/15/388040915.db2.gz WFUAUJBROAYRNI-UHFFFAOYSA-N 0 0 248.713 3.750 20 0 BHADRN CC1(c2noc(-c3csc(Cl)c3)n2)CC1 ZINC000453309014 388041066 /nfs/dbraw/zinc/04/10/66/388041066.db2.gz XAJIAKJBEUNFMZ-UHFFFAOYSA-N 0 0 240.715 3.503 20 0 BHADRN CC1(c2noc(-c3cc4ccccc4o3)n2)CC1 ZINC000453309100 388041218 /nfs/dbraw/zinc/04/12/18/388041218.db2.gz DHGGHJJOEGCJRA-UHFFFAOYSA-N 0 0 240.262 3.534 20 0 BHADRN Cc1oc(C(C)C)cc1-c1nc(C2(C)CC2)no1 ZINC000453310233 386397405 /nfs/dbraw/zinc/39/74/05/386397405.db2.gz YILAHWKFPDLOQX-UHFFFAOYSA-N 0 0 246.310 3.813 20 0 BHADRN CC[C@H](CC(F)(F)F)c1nc(C2(C)CC2)no1 ZINC000453310265 388042845 /nfs/dbraw/zinc/04/28/45/388042845.db2.gz YMYIHOSXVUWDLQ-SSDOTTSWSA-N 0 0 248.248 3.567 20 0 BHADRN CC[C@@H](CC(F)(F)F)c1nc(C2(C)CC2)no1 ZINC000453310266 388042515 /nfs/dbraw/zinc/04/25/15/388042515.db2.gz YMYIHOSXVUWDLQ-ZETCQYMHSA-N 0 0 248.248 3.567 20 0 BHADRN CC1(c2noc([C@H]3C[C@@H]3C3CCCCC3)n2)CC1 ZINC000453311507 388042559 /nfs/dbraw/zinc/04/25/59/388042559.db2.gz GIYZACABNVJXOD-NEPJUHHUSA-N 0 0 246.354 3.805 20 0 BHADRN CC1(c2noc([C@@H]3C[C@H]3C3CCCCC3)n2)CC1 ZINC000453311509 388042104 /nfs/dbraw/zinc/04/21/04/388042104.db2.gz GIYZACABNVJXOD-NWDGAFQWSA-N 0 0 246.354 3.805 20 0 BHADRN CC1(c2noc([C@H]3C[C@H]3C3CCCCC3)n2)CC1 ZINC000453311511 388042001 /nfs/dbraw/zinc/04/20/01/388042001.db2.gz GIYZACABNVJXOD-RYUDHWBXSA-N 0 0 246.354 3.805 20 0 BHADRN CC1(c2noc([C@@H]3C[C@@H]3C3CCCCC3)n2)CC1 ZINC000453311513 388042311 /nfs/dbraw/zinc/04/23/11/388042311.db2.gz GIYZACABNVJXOD-VXGBXAGGSA-N 0 0 246.354 3.805 20 0 BHADRN Cc1ccc(Cl)cc1-c1nc(C2(C)CC2)no1 ZINC000453311644 388041981 /nfs/dbraw/zinc/04/19/81/388041981.db2.gz GQXAUIQYPOQCBC-UHFFFAOYSA-N 0 0 248.713 3.750 20 0 BHADRN CC(C)CC1(c2nc(C3(C)CC3)no2)CCC1 ZINC000453312528 388042534 /nfs/dbraw/zinc/04/25/34/388042534.db2.gz HFXXEUFYHWYORF-UHFFFAOYSA-N 0 0 234.343 3.589 20 0 BHADRN CC1(c2noc([C@@H]3CC34CCCCC4)n2)CC1 ZINC000453313106 388042319 /nfs/dbraw/zinc/04/23/19/388042319.db2.gz HKMMQWROGHPWQS-JTQLQIEISA-N 0 0 232.327 3.559 20 0 BHADRN CC1(c2noc([C@H]3CC34CCCCC4)n2)CC1 ZINC000453313108 388042889 /nfs/dbraw/zinc/04/28/89/388042889.db2.gz HKMMQWROGHPWQS-SNVBAGLBSA-N 0 0 232.327 3.559 20 0 BHADRN Cc1cccc(-c2nc(C3(C)CC3)no2)c1Cl ZINC000453314140 388043856 /nfs/dbraw/zinc/04/38/56/388043856.db2.gz ILLZBVSZJWNRPW-UHFFFAOYSA-N 0 0 248.713 3.750 20 0 BHADRN Cc1cccc([C@@H](C)c2nc(C3(C)CC3)no2)c1 ZINC000453314817 388044062 /nfs/dbraw/zinc/04/40/62/388044062.db2.gz IXLFLHOYYHKMJY-LLVKDONJSA-N 0 0 242.322 3.581 20 0 BHADRN Cc1cccc([C@H](C)c2nc(C3(C)CC3)no2)c1 ZINC000453314818 388044010 /nfs/dbraw/zinc/04/40/10/388044010.db2.gz IXLFLHOYYHKMJY-NSHDSACASA-N 0 0 242.322 3.581 20 0 BHADRN C/C(=C/c1nc(C2(C)CC2)no1)c1ccccc1 ZINC000453316092 388043951 /nfs/dbraw/zinc/04/39/51/388043951.db2.gz HTERLVWCENVEQT-KHPPLWFESA-N 0 0 240.306 3.682 20 0 BHADRN C/C(=C\c1nc(C2(C)CC2)no1)c1ccccc1 ZINC000453316094 388044053 /nfs/dbraw/zinc/04/40/53/388044053.db2.gz HTERLVWCENVEQT-ZHACJKMWSA-N 0 0 240.306 3.682 20 0 BHADRN CCC[C@@H](C)c1nc(CC2CC(F)(F)C2)no1 ZINC000453316517 388043969 /nfs/dbraw/zinc/04/39/69/388043969.db2.gz IFDQSNSSWSAVSZ-MRVPVSSYSA-N 0 0 244.285 3.561 20 0 BHADRN CCC[C@H](C)c1nc(CC2CC(F)(F)C2)no1 ZINC000453316518 388043383 /nfs/dbraw/zinc/04/33/83/388043383.db2.gz IFDQSNSSWSAVSZ-QMMMGPOBSA-N 0 0 244.285 3.561 20 0 BHADRN CC(C)(c1nc(C2(C)CC2)no1)C1CCCC1 ZINC000453317283 388044020 /nfs/dbraw/zinc/04/40/20/388044020.db2.gz LDMSLSPNKUUQKG-UHFFFAOYSA-N 0 0 234.343 3.589 20 0 BHADRN CC1(c2noc(-c3ccc(Cl)s3)n2)CC1 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ZINC000456797113 388222310 /nfs/dbraw/zinc/22/23/10/388222310.db2.gz IHHJZJYCJVBRJQ-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)C2(C)CCCC2)C1 ZINC000456797724 388221916 /nfs/dbraw/zinc/22/19/16/388221916.db2.gz IZABSSHTZFYRTC-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)c2oc(C)cc2C)C1 ZINC000456798253 388222033 /nfs/dbraw/zinc/22/20/33/388222033.db2.gz KBLUKABFXBVQRC-WCQYABFASA-N 0 0 249.354 3.547 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc(C)c2)C1 ZINC000456798298 202976686 /nfs/dbraw/zinc/97/66/86/202976686.db2.gz KLDTWNHKIKMOOQ-UONOGXRCSA-N 0 0 245.366 3.646 20 0 BHADRN CCCC1(C(=O)N2C[C@@H](CC)CC[C@H]2C)CC1 ZINC000456798328 388222267 /nfs/dbraw/zinc/22/22/67/388222267.db2.gz KUKKVSBQIQJVPJ-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CCC(=O)N(CC(C)C)c1cccc(Cl)c1 ZINC000456798868 388222273 /nfs/dbraw/zinc/22/22/73/388222273.db2.gz LCUQKOTXODSOSR-UHFFFAOYSA-N 0 0 239.746 3.739 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C)cc2)C1 ZINC000456798981 388222185 /nfs/dbraw/zinc/22/21/85/388222185.db2.gz KZTWZGUOCIAQIG-UONOGXRCSA-N 0 0 245.366 3.646 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)C2CCCCC2)C1 ZINC000456799762 388222386 /nfs/dbraw/zinc/22/23/86/388222386.db2.gz MYEUHWVRWKHSSZ-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000456800071 202977528 /nfs/dbraw/zinc/97/75/28/202977528.db2.gz NJEFLMKQTNAJQD-LZWOXQAQSA-N 0 0 249.398 3.770 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000456800072 388222391 /nfs/dbraw/zinc/22/23/91/388222391.db2.gz NJEFLMKQTNAJQD-SQWLQELKSA-N 0 0 249.398 3.770 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)CC(C)(C)CC)C1 ZINC000456801484 388222661 /nfs/dbraw/zinc/22/26/61/388222661.db2.gz QCGUXSOFJWAEMU-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)oc2C)C1 ZINC000456802033 388222735 /nfs/dbraw/zinc/22/27/35/388222735.db2.gz RFXSUWRJFAVDMV-GXFFZTMASA-N 0 0 249.354 3.547 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)[C@H](C)C(C)(C)C)C1 ZINC000456802611 388222667 /nfs/dbraw/zinc/22/26/67/388222667.db2.gz RTPZXDJBRKVJBQ-RWMBFGLXSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC000456802612 388222784 /nfs/dbraw/zinc/22/27/84/388222784.db2.gz RTPZXDJBRKVJBQ-YNEHKIRRSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)CC2=CCCCC2)C1 ZINC000456805382 388222780 /nfs/dbraw/zinc/22/27/80/388222780.db2.gz WNIQZURJFPENGD-UONOGXRCSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCCC(=O)N1C[C@@H](CC)CC[C@H]1C ZINC000456805750 388222740 /nfs/dbraw/zinc/22/27/40/388222740.db2.gz WVTMLQUSZFCDQC-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)C[C@@H](C)C(C)C)C1 ZINC000456805830 202978975 /nfs/dbraw/zinc/97/89/75/202978975.db2.gz XBPFCAGQLNNLMN-HZSPNIEDSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)C[C@H](C)C(C)C)C1 ZINC000456805832 388222577 /nfs/dbraw/zinc/22/25/77/388222577.db2.gz XBPFCAGQLNNLMN-MELADBBJSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)C(C)(C)C(C)C)C1 ZINC000456816692 388224660 /nfs/dbraw/zinc/22/46/60/388224660.db2.gz HEUDIDIGELAKMS-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC=CC[C@H]2C)C1 ZINC000456817731 388224704 /nfs/dbraw/zinc/22/47/04/388224704.db2.gz ITGQUDLAUIVAFW-LXTVHRRPSA-N 0 0 249.398 3.626 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1C[C@@H](CC)CC[C@H]1C ZINC000456818345 388224740 /nfs/dbraw/zinc/22/47/40/388224740.db2.gz KBZDMFLCFMXANM-CRWXNKLISA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1C[C@@H](CC)CC[C@H]1C ZINC000456818350 388225068 /nfs/dbraw/zinc/22/50/68/388225068.db2.gz KBZDMFLCFMXANM-DGAVXFQQSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N1C[C@@H](CC)CC[C@H]1C ZINC000456818351 388224723 /nfs/dbraw/zinc/22/47/23/388224723.db2.gz KBZDMFLCFMXANM-MQYQWHSLSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N1C[C@@H](CC)CC[C@H]1C ZINC000456818354 388224707 /nfs/dbraw/zinc/22/47/07/388224707.db2.gz KBZDMFLCFMXANM-SYQHCUMBSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)C23CCC(CC2)C3)C1 ZINC000456819518 388225642 /nfs/dbraw/zinc/22/56/42/388225642.db2.gz MTHPNAZYSQDMLQ-RNDNHVFHSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)[C@H](C)CC(C)C)C1 ZINC000456820165 388225711 /nfs/dbraw/zinc/22/57/11/388225711.db2.gz NWUKZVUYYLHGMY-HZSPNIEDSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)[C@@H](C)CC(C)C)C1 ZINC000456820166 388225621 /nfs/dbraw/zinc/22/56/21/388225621.db2.gz NWUKZVUYYLHGMY-MELADBBJSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)c2c(C)coc2C)C1 ZINC000456823225 202981590 /nfs/dbraw/zinc/98/15/90/202981590.db2.gz SXKMQMQRFGGKDT-WCQYABFASA-N 0 0 249.354 3.547 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000456826216 388225520 /nfs/dbraw/zinc/22/55/20/388225520.db2.gz WEADLERACMFNPZ-RRFJBIMHSA-N 0 0 249.398 3.770 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)C[C@H]2C=CCCC2)C1 ZINC000456826217 388225368 /nfs/dbraw/zinc/22/53/68/388225368.db2.gz WEADLERACMFNPZ-ZNMIVQPWSA-N 0 0 249.398 3.770 20 0 BHADRN CCC1(C(=O)NC[C@@H]2C[C@H]2C2CC2)CCCCC1 ZINC000456860025 388228287 /nfs/dbraw/zinc/22/82/87/388228287.db2.gz BTDQXILSMYNKSP-KBPBESRZSA-N 0 0 249.398 3.509 20 0 BHADRN O=C(CCCC1CCCC1)NC[C@@H]1C[C@H]1C1CC1 ZINC000456874566 388229396 /nfs/dbraw/zinc/22/93/96/388229396.db2.gz DNVWHCPIXXYKBH-GJZGRUSLSA-N 0 0 249.398 3.509 20 0 BHADRN O=C(CC1CCCCCC1)NC[C@@H]1C[C@H]1C1CC1 ZINC000456886595 388231516 /nfs/dbraw/zinc/23/15/16/388231516.db2.gz UFBKXRBGTKKKSS-GJZGRUSLSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C(=O)NC[C@@H]2C[C@H]2C2CC2)CCCCCC1 ZINC000456887509 388231408 /nfs/dbraw/zinc/23/14/08/388231408.db2.gz VBOJXPBAUQKBMQ-KBPBESRZSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H](NC(=O)CCC(C)(C)C)C1CCCC1 ZINC000456888029 388231394 /nfs/dbraw/zinc/23/13/94/388231394.db2.gz FPDRIGVZCBQCRP-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1(C(=O)N[C@@H](C)C2CCCC2)CCC1 ZINC000456888037 388231344 /nfs/dbraw/zinc/23/13/44/388231344.db2.gz GIVCXMQQPOLLBF-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H](C)C1CCCC1 ZINC000456888041 388231054 /nfs/dbraw/zinc/23/10/54/388231054.db2.gz GYPHHRMHXRRWNN-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CC1(CC(=O)NC[C@@H]2C[C@H]2C2CC2)CCCCC1 ZINC000456888909 388231256 /nfs/dbraw/zinc/23/12/56/388231256.db2.gz WLERNOPJLYZYBI-KBPBESRZSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H](NC(=O)CC1(C)CCCC1)C1CCCC1 ZINC000456890741 388232044 /nfs/dbraw/zinc/23/20/44/388232044.db2.gz AGTDQCSQCOXYAF-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](NC(=O)CC(C)(C)C1CC1)C1CCCC1 ZINC000456891699 388231733 /nfs/dbraw/zinc/23/17/33/388231733.db2.gz CEQJDNOSARCOIW-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN C=Cc1ccc(C(=O)N[C@@H](C)C2CCCC2)cc1 ZINC000456892646 388232064 /nfs/dbraw/zinc/23/20/64/388232064.db2.gz DQKFQKFZOLHJFK-LBPRGKRZSA-N 0 0 243.350 3.638 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCCC1(C)C)C1CCCC1 ZINC000456892771 388231812 /nfs/dbraw/zinc/23/18/12/388231812.db2.gz FKKJTZRBRGAUDV-AAEUAGOBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)[C@H]1CCCC1(C)C)C1CCCC1 ZINC000456892772 388231974 /nfs/dbraw/zinc/23/19/74/388231974.db2.gz FKKJTZRBRGAUDV-WCQYABFASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)CC1CC(C)(C)C1)C1CCCC1 ZINC000456893554 388232263 /nfs/dbraw/zinc/23/22/63/388232263.db2.gz HAFMJIRDGIVTQF-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)C1CCCC1 ZINC000456893795 388232248 /nfs/dbraw/zinc/23/22/48/388232248.db2.gz INNVLVHVLRPQKY-AAEUAGOBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)C1CCCC1 ZINC000456893797 388231820 /nfs/dbraw/zinc/23/18/20/388231820.db2.gz INNVLVHVLRPQKY-WCQYABFASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)C(C)(C)C(C)(C)C)C1CCCC1 ZINC000456895361 388232234 /nfs/dbraw/zinc/23/22/34/388232234.db2.gz LWPOTICKNVVYFE-NSHDSACASA-N 0 0 239.403 3.754 20 0 BHADRN O=C(CCC1CCCCC1)NC[C@@H]1C[C@H]1C1CC1 ZINC000456897512 202990490 /nfs/dbraw/zinc/99/04/90/202990490.db2.gz DLSMMERORXINCS-GJZGRUSLSA-N 0 0 249.398 3.509 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@@H](C)C1CCCC1 ZINC000456897794 388231712 /nfs/dbraw/zinc/23/17/12/388231712.db2.gz QMAKINONLCSFDA-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H](C)C1CCCC1 ZINC000456897796 388231771 /nfs/dbraw/zinc/23/17/71/388231771.db2.gz QMAKINONLCSFDA-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](C)CCC(=O)N[C@@H](C)C1CCCC1 ZINC000456899576 202992082 /nfs/dbraw/zinc/99/20/82/202992082.db2.gz UOIHPIFOZGOZBH-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)CCC(=O)N[C@@H](C)C1CCCC1 ZINC000456899578 388232796 /nfs/dbraw/zinc/23/27/96/388232796.db2.gz UOIHPIFOZGOZBH-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H](NC(=O)[C@H]1CC12CCCCC2)C1CCCC1 ZINC000456899586 388232986 /nfs/dbraw/zinc/23/29/86/388232986.db2.gz URKIUDCSCPRNLQ-GXTWGEPZSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CC12CCCCC2)C1CCCC1 ZINC000456899587 388232657 /nfs/dbraw/zinc/23/26/57/388232657.db2.gz URKIUDCSCPRNLQ-JSGCOSHPSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C1CCCC1 ZINC000456901344 202992148 /nfs/dbraw/zinc/99/21/48/202992148.db2.gz YHWLAGJZSBXSFG-OBJOEFQTSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H]1CCC[C@H]1C(=O)N[C@@H](C)C1CCCC1 ZINC000456901347 388232977 /nfs/dbraw/zinc/23/29/77/388232977.db2.gz YHWLAGJZSBXSFG-SGMGOOAPSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1occc1C(=O)NC[C@@H]1CCCC(C)(C)C1 ZINC000456915047 202991689 /nfs/dbraw/zinc/99/16/89/202991689.db2.gz JNJPOYZDQSHAHL-GFCCVEGCSA-N 0 0 249.354 3.534 20 0 BHADRN Cc1occc1C(=O)NC[C@H]1CCCC(C)(C)C1 ZINC000456915048 388232819 /nfs/dbraw/zinc/23/28/19/388232819.db2.gz JNJPOYZDQSHAHL-LBPRGKRZSA-N 0 0 249.354 3.534 20 0 BHADRN Cc1ccoc1C(=O)NC[C@@H]1CCCC(C)(C)C1 ZINC000456933178 388234008 /nfs/dbraw/zinc/23/40/08/388234008.db2.gz WUBZOPZAQZPZIJ-GFCCVEGCSA-N 0 0 249.354 3.534 20 0 BHADRN Cc1ccoc1C(=O)NC[C@H]1CCCC(C)(C)C1 ZINC000456933180 388234449 /nfs/dbraw/zinc/23/44/49/388234449.db2.gz WUBZOPZAQZPZIJ-LBPRGKRZSA-N 0 0 249.354 3.534 20 0 BHADRN Cc1ccc(CN(C)C(=O)CC(C)(C)C)cc1C ZINC000456945257 388234026 /nfs/dbraw/zinc/23/40/26/388234026.db2.gz ITKKQOXENYSFLL-UHFFFAOYSA-N 0 0 247.382 3.698 20 0 BHADRN CCC(C)(C)C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000456947898 202994595 /nfs/dbraw/zinc/99/45/95/202994595.db2.gz HTPQZGZPLXOIQX-UHFFFAOYSA-N 0 0 247.382 3.698 20 0 BHADRN CCC(CC)C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000456948455 388234383 /nfs/dbraw/zinc/23/43/83/388234383.db2.gz LGPVVCDOTMQGAY-UHFFFAOYSA-N 0 0 247.382 3.698 20 0 BHADRN Cc1ccc(CN(C)C(=O)CCC(C)C)cc1C ZINC000456952850 388234772 /nfs/dbraw/zinc/23/47/72/388234772.db2.gz PTILWPRDEJTEIJ-UHFFFAOYSA-N 0 0 247.382 3.698 20 0 BHADRN Cc1ccc(CN(C)C(=O)[C@@H](C)C(C)C)cc1C ZINC000456962718 388235461 /nfs/dbraw/zinc/23/54/61/388235461.db2.gz NTRPXEAHGGISKQ-AWEZNQCLSA-N 0 0 247.382 3.554 20 0 BHADRN Cc1ccc(CN(C)C(=O)[C@H](C)C(C)C)cc1C ZINC000456962719 388235343 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CCC[C@H](NC(=O)[C@@H](C)C1CC1)C1CCCC1 ZINC000458335507 203163094 /nfs/dbraw/zinc/16/30/94/203163094.db2.gz JRAVZLLFXVMDIZ-FZMZJTMJSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](NC(=O)[C@H](C)C1CC1)C1CCCC1 ZINC000458335508 203163480 /nfs/dbraw/zinc/16/34/80/203163480.db2.gz JRAVZLLFXVMDIZ-RISCZKNCSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H](NC(=O)[C@@H](C)C1CC1)C1CCCC1 ZINC000458335509 203163906 /nfs/dbraw/zinc/16/39/06/203163906.db2.gz JRAVZLLFXVMDIZ-SMDDNHRTSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N[C@@]1(C)CC=CCC1 ZINC000458335672 203162907 /nfs/dbraw/zinc/16/29/07/203162907.db2.gz LGPBXISELLZALC-DOMZBBRYSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N[C@]1(C)CC=CCC1 ZINC000458335674 203163838 /nfs/dbraw/zinc/16/38/38/203163838.db2.gz LGPBXISELLZALC-IUODEOHRSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N[C@]1(C)CC=CCC1 ZINC000458335675 203163595 /nfs/dbraw/zinc/16/35/95/203163595.db2.gz LGPBXISELLZALC-SWLSCSKDSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N[C@@]1(C)CC=CCC1 ZINC000458335677 203163950 /nfs/dbraw/zinc/16/39/50/203163950.db2.gz LGPBXISELLZALC-WFASDCNBSA-N 0 0 237.387 3.674 20 0 BHADRN CCC[C@H](NC(=O)[C@@H](C)CC)C1CCCC1 ZINC000458336056 203163356 /nfs/dbraw/zinc/16/33/56/203163356.db2.gz JXKRYIOPXQLLGA-AAEUAGOBSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](NC(=O)[C@H](C)CC)C1CCCC1 ZINC000458336057 203163608 /nfs/dbraw/zinc/16/36/08/203163608.db2.gz JXKRYIOPXQLLGA-DGCLKSJQSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](NC(=O)[C@@H](C)CC)C1CCCC1 ZINC000458336058 203163218 /nfs/dbraw/zinc/16/32/18/203163218.db2.gz JXKRYIOPXQLLGA-WCQYABFASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](NC(=O)[C@H](C)CC)C1CCCC1 ZINC000458336059 203163237 /nfs/dbraw/zinc/16/32/37/203163237.db2.gz JXKRYIOPXQLLGA-YPMHNXCESA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](NC(=O)c1ccoc1CC)C1CCC1 ZINC000458336620 203163960 /nfs/dbraw/zinc/16/39/60/203163960.db2.gz QPTDENKLGDATRH-CYBMUJFWSA-N 0 0 249.354 3.541 20 0 BHADRN CCC[C@H](NC(=O)c1ccoc1CC)C1CCC1 ZINC000458336625 203163744 /nfs/dbraw/zinc/16/37/44/203163744.db2.gz QPTDENKLGDATRH-ZDUSSCGKSA-N 0 0 249.354 3.541 20 0 BHADRN CCC[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1CCCC1 ZINC000458337726 203162791 /nfs/dbraw/zinc/16/27/91/203162791.db2.gz LBAJVQAZJWGBBL-BARDWOONSA-N 0 0 249.398 3.508 20 0 BHADRN CCC[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1CCCC1 ZINC000458337729 203162740 /nfs/dbraw/zinc/16/27/40/203162740.db2.gz LBAJVQAZJWGBBL-LJISPDSOSA-N 0 0 249.398 3.508 20 0 BHADRN CCC[C@H](NC(=O)[C@@H]1CC12CCCC2)C1CCC1 ZINC000458340848 203164003 /nfs/dbraw/zinc/16/40/03/203164003.db2.gz SSPHJOHJHDJFQW-KBPBESRZSA-N 0 0 249.398 3.652 20 0 BHADRN CCC[C@H](NC(=O)[C@H]1CC12CCCC2)C1CCC1 ZINC000458340849 203163073 /nfs/dbraw/zinc/16/30/73/203163073.db2.gz SSPHJOHJHDJFQW-KGLIPLIRSA-N 0 0 249.398 3.652 20 0 BHADRN CCC[C@@H](NC(=O)[C@@H]1CC12CCCC2)C1CCC1 ZINC000458340850 203162814 /nfs/dbraw/zinc/16/28/14/203162814.db2.gz SSPHJOHJHDJFQW-UONOGXRCSA-N 0 0 249.398 3.652 20 0 BHADRN CCC[C@@H](NC(=O)[C@H]1CC12CCCC2)C1CCC1 ZINC000458340851 386436120 /nfs/dbraw/zinc/43/61/20/386436120.db2.gz SSPHJOHJHDJFQW-ZIAGYGMSSA-N 0 0 249.398 3.652 20 0 BHADRN CCC[C@H](NC(=O)C[C@@H](C)CC)C1CCC1 ZINC000458342268 203165027 /nfs/dbraw/zinc/16/50/27/203165027.db2.gz UNXOOUAUIXCXPV-AAEUAGOBSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](NC(=O)C[C@H](C)CC)C1CCC1 ZINC000458342272 203164309 /nfs/dbraw/zinc/16/43/09/203164309.db2.gz UNXOOUAUIXCXPV-DGCLKSJQSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](NC(=O)C[C@@H](C)CC)C1CCC1 ZINC000458342276 203164713 /nfs/dbraw/zinc/16/47/13/203164713.db2.gz UNXOOUAUIXCXPV-WCQYABFASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](NC(=O)C[C@H](C)CC)C1CCC1 ZINC000458342280 203164948 /nfs/dbraw/zinc/16/49/48/203164948.db2.gz UNXOOUAUIXCXPV-YPMHNXCESA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](NC(=O)C[C@H]1C[C@H]1C)C1CCCC1 ZINC000458342753 203165781 /nfs/dbraw/zinc/16/57/81/203165781.db2.gz OWBZXZUEOFZFSQ-BNOWGMLFSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](NC(=O)C[C@@H]1C[C@@H]1C)C1CCCC1 ZINC000458342754 203164442 /nfs/dbraw/zinc/16/44/42/203164442.db2.gz OWBZXZUEOFZFSQ-UBHSHLNASA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](NC(=O)C[C@@H]1C[C@H]1C)C1CCCC1 ZINC000458342755 203165246 /nfs/dbraw/zinc/16/52/46/203165246.db2.gz OWBZXZUEOFZFSQ-XBFCOCLRSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](NC(=O)C[C@H]1C[C@@H]1C)C1CCCC1 ZINC000458342756 203165336 /nfs/dbraw/zinc/16/53/36/203165336.db2.gz OWBZXZUEOFZFSQ-YUTCNCBUSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1scc(C(=O)N[C@@]2(C)CC=CCC2)c1C ZINC000458344421 203163397 /nfs/dbraw/zinc/16/33/97/203163397.db2.gz MEHBHYLQJPIZSG-AWEZNQCLSA-N 0 0 249.379 3.594 20 0 BHADRN Cc1scc(C(=O)N[C@]2(C)CC=CCC2)c1C ZINC000458344424 203162825 /nfs/dbraw/zinc/16/28/25/203162825.db2.gz MEHBHYLQJPIZSG-CQSZACIVSA-N 0 0 249.379 3.594 20 0 BHADRN CCC[C@H](NC(=O)CC1CCC1)C1CCCC1 ZINC000458346605 203164539 /nfs/dbraw/zinc/16/45/39/203164539.db2.gz RRMLKXCSIOPYCG-AWEZNQCLSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@@H](NC(=O)CC1CCC1)C1CCCC1 ZINC000458346608 203164684 /nfs/dbraw/zinc/16/46/84/203164684.db2.gz RRMLKXCSIOPYCG-CQSZACIVSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@@H](NC(=O)CC(C)(F)F)C1CCCC1 ZINC000458347748 203165001 /nfs/dbraw/zinc/16/50/01/203165001.db2.gz SVHCEQWNZYIPSX-LLVKDONJSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](NC(=O)CC(C)(F)F)C1CCCC1 ZINC000458347749 203165434 /nfs/dbraw/zinc/16/54/34/203165434.db2.gz SVHCEQWNZYIPSX-NSHDSACASA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](NC(=O)[C@@H]1C[C@H]1CCC)C1CCC1 ZINC000458347957 203164419 /nfs/dbraw/zinc/16/44/19/203164419.db2.gz YFZCEXIBSUTATN-MCIONIFRSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)C1CCC1 ZINC000458347959 203164793 /nfs/dbraw/zinc/16/47/93/203164793.db2.gz YFZCEXIBSUTATN-MGPQQGTHSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](NC(=O)c1ccoc1C)C1CCCC1 ZINC000458348444 203164654 /nfs/dbraw/zinc/16/46/54/203164654.db2.gz UJRWQFXBHXMWLS-AWEZNQCLSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@@H](NC(=O)c1ccoc1C)C1CCCC1 ZINC000458348445 203165546 /nfs/dbraw/zinc/16/55/46/203165546.db2.gz UJRWQFXBHXMWLS-CQSZACIVSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@H](NC(=O)C1=CCCCC1)C1CCC1 ZINC000458348716 203164305 /nfs/dbraw/zinc/16/43/05/203164305.db2.gz YXORBGUTNSHGFP-AWEZNQCLSA-N 0 0 235.371 3.572 20 0 BHADRN CCC[C@@H](NC(=O)C1=CCCCC1)C1CCC1 ZINC000458348717 203165042 /nfs/dbraw/zinc/16/50/42/203165042.db2.gz YXORBGUTNSHGFP-CQSZACIVSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C)(C)C1CC(C(=O)N[C@]2(C)CC=CCC2)C1 ZINC000458349051 203165076 /nfs/dbraw/zinc/16/50/76/203165076.db2.gz PICBQBBMFZOIID-SEEARECTSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)(C)C1CC(C(=O)N[C@@]2(C)CC=CCC2)C1 ZINC000458349052 203164662 /nfs/dbraw/zinc/16/46/62/203164662.db2.gz PICBQBBMFZOIID-ZUEPYMLJSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N[C@@]1(C)CC=CCC1 ZINC000458349057 203165329 /nfs/dbraw/zinc/16/53/29/203165329.db2.gz PJWDPDKPTUWMRZ-DOMZBBRYSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N[C@]1(C)CC=CCC1 ZINC000458349058 386457343 /nfs/dbraw/zinc/45/73/43/386457343.db2.gz PJWDPDKPTUWMRZ-IUODEOHRSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N[C@]1(C)CC=CCC1 ZINC000458349059 386457537 /nfs/dbraw/zinc/45/75/37/386457537.db2.gz PJWDPDKPTUWMRZ-SWLSCSKDSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N[C@@]1(C)CC=CCC1 ZINC000458349060 219937163 /nfs/dbraw/zinc/93/71/63/219937163.db2.gz PJWDPDKPTUWMRZ-WFASDCNBSA-N 0 0 237.387 3.674 20 0 BHADRN CCC[C@@H](NC(=O)c1c(C)coc1C)C1CCC1 ZINC000458349249 203164879 /nfs/dbraw/zinc/16/48/79/203164879.db2.gz ZDRCGQATDBQUQP-CYBMUJFWSA-N 0 0 249.354 3.595 20 0 BHADRN CCC[C@H](NC(=O)c1c(C)coc1C)C1CCC1 ZINC000458349252 203165331 /nfs/dbraw/zinc/16/53/31/203165331.db2.gz ZDRCGQATDBQUQP-ZDUSSCGKSA-N 0 0 249.354 3.595 20 0 BHADRN CCC[C@@H](NC(=O)CC(C)C)C1CCCC1 ZINC000458349326 203164754 /nfs/dbraw/zinc/16/47/54/203164754.db2.gz VRXZQZYXVBUTHA-CYBMUJFWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](NC(=O)CC(C)C)C1CCCC1 ZINC000458349327 203165480 /nfs/dbraw/zinc/16/54/80/203165480.db2.gz VRXZQZYXVBUTHA-ZDUSSCGKSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](NC(=O)c1ccc(C)o1)C1CCCC1 ZINC000458349898 203164511 /nfs/dbraw/zinc/16/45/11/203164511.db2.gz WBCOEDOFTKYEQA-CYBMUJFWSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@H](NC(=O)c1ccc(C)o1)C1CCCC1 ZINC000458349900 203164844 /nfs/dbraw/zinc/16/48/44/203164844.db2.gz WBCOEDOFTKYEQA-ZDUSSCGKSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@@H](NC(=O)c1occc1C)C1CCCC1 ZINC000458349943 203165628 /nfs/dbraw/zinc/16/56/28/203165628.db2.gz WIVPFWFNVDKTNC-CYBMUJFWSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@H](NC(=O)c1occc1C)C1CCCC1 ZINC000458349944 203165659 /nfs/dbraw/zinc/16/56/59/203165659.db2.gz WIVPFWFNVDKTNC-ZDUSSCGKSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@H](NC(=O)c1coc(C)c1)C1CCCC1 ZINC000458350356 203165709 /nfs/dbraw/zinc/16/57/09/203165709.db2.gz XDIPQBZGOVCXHI-AWEZNQCLSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@@H](NC(=O)c1coc(C)c1)C1CCCC1 ZINC000458350358 203165212 /nfs/dbraw/zinc/16/52/12/203165212.db2.gz XDIPQBZGOVCXHI-CQSZACIVSA-N 0 0 249.354 3.677 20 0 BHADRN CC1(CC(=O)N[C@@]2(C)CC=CCC2)CCCC1 ZINC000458353289 203165199 /nfs/dbraw/zinc/16/51/99/203165199.db2.gz VLGFRUAGHDXEKL-HNNXBMFYSA-N 0 0 235.371 3.572 20 0 BHADRN CC1(CC(=O)N[C@]2(C)CC=CCC2)CCCC1 ZINC000458353290 203164833 /nfs/dbraw/zinc/16/48/33/203164833.db2.gz VLGFRUAGHDXEKL-OAHLLOKOSA-N 0 0 235.371 3.572 20 0 BHADRN CCCN(CC)C(=O)NCC(C)(C)C(C)(C)C ZINC000458789487 203198578 /nfs/dbraw/zinc/19/85/78/203198578.db2.gz GUSOZZWWBUGTGO-UHFFFAOYSA-N 0 0 242.407 3.500 20 0 BHADRN CCC[C@H](NC(=O)N(C)[C@H](C)CC)C(C)(C)C ZINC000458961880 203214192 /nfs/dbraw/zinc/21/41/92/203214192.db2.gz IIDCACMSHBYZPV-NEPJUHHUSA-N 0 0 242.407 3.641 20 0 BHADRN CCC[C@@H](NC(=O)N(C)[C@@H](C)CC)C(C)(C)C ZINC000458961882 203214334 /nfs/dbraw/zinc/21/43/34/203214334.db2.gz IIDCACMSHBYZPV-NWDGAFQWSA-N 0 0 242.407 3.641 20 0 BHADRN CCC[C@H](NC(=O)N(C)[C@@H](C)CC)C(C)(C)C ZINC000458961884 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C[C@H](NCCc1cccc(Cl)c1)C(C)(F)F ZINC000459574062 203305336 /nfs/dbraw/zinc/30/53/36/203305336.db2.gz SOZPMEBJPYJSJA-VIFPVBQESA-N 0 0 247.716 3.516 20 0 BHADRN CC[C@@H](NCCc1cccc(Cl)c1)C(F)F ZINC000459576617 324148601 /nfs/dbraw/zinc/14/86/01/324148601.db2.gz VPJBMGHDDVSIEG-LLVKDONJSA-N 0 0 247.716 3.516 20 0 BHADRN CC[C@H](NCCc1cccc(Cl)c1)C(F)F ZINC000459576619 324148664 /nfs/dbraw/zinc/14/86/64/324148664.db2.gz VPJBMGHDDVSIEG-NSHDSACASA-N 0 0 247.716 3.516 20 0 BHADRN FCCOc1ccccc1NC1CC2(CCC2)C1 ZINC000459577978 387062015 /nfs/dbraw/zinc/06/20/15/387062015.db2.gz XCQJJJVAQFXBEU-UHFFFAOYSA-N 0 0 249.329 3.780 20 0 BHADRN Clc1ccc(CN2CC3(C2)CCCCC3)o1 ZINC000459597519 203312665 /nfs/dbraw/zinc/31/26/65/203312665.db2.gz QHAHTFAGIDERHL-UHFFFAOYSA-N 0 0 239.746 3.699 20 0 BHADRN CCOC1CC(CN(C)c2cccc(CC)c2)C1 ZINC000459598381 203311765 /nfs/dbraw/zinc/31/17/65/203311765.db2.gz WZGZHPBNIFXFPM-UHFFFAOYSA-N 0 0 247.382 3.500 20 0 BHADRN Clc1ccc(CN2CC(C3CCCC3)C2)o1 ZINC000459606026 203314395 /nfs/dbraw/zinc/31/43/95/203314395.db2.gz DWEZAOUDTKXRSD-UHFFFAOYSA-N 0 0 239.746 3.555 20 0 BHADRN CC1(CC(F)(F)F)CN(Cc2cccs2)C1 ZINC000459636299 203326660 /nfs/dbraw/zinc/32/66/60/203326660.db2.gz KNVADEYJCFAOGS-UHFFFAOYSA-N 0 0 249.301 3.522 20 0 BHADRN CC1(CC(F)(F)F)CN(Cc2ccsc2)C1 ZINC000459638667 203327390 /nfs/dbraw/zinc/32/73/90/203327390.db2.gz MXZRJKYAENRNAM-UHFFFAOYSA-N 0 0 249.301 3.522 20 0 BHADRN CCC1(C)CN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000459640710 203329006 /nfs/dbraw/zinc/32/90/06/203329006.db2.gz XKYUQYXPBLLXQR-UHFFFAOYSA-N 0 0 246.329 3.539 20 0 BHADRN Cc1ccc(CN2Cc3cccc(F)c3C2)s1 ZINC000459700004 206137266 /nfs/dbraw/zinc/13/72/66/206137266.db2.gz DBRVVKNLHORYJD-UHFFFAOYSA-N 0 0 247.338 3.711 20 0 BHADRN Cc1cc(CN2Cc3cccc(F)c3C2)cs1 ZINC000459714575 203338929 /nfs/dbraw/zinc/33/89/29/203338929.db2.gz OKGDYMQEFYBHNL-UHFFFAOYSA-N 0 0 247.338 3.711 20 0 BHADRN Cc1ccsc1CN1Cc2cccc(F)c2C1 ZINC000459714786 203339317 /nfs/dbraw/zinc/33/93/17/203339317.db2.gz ORSCFGBPDMIHLS-UHFFFAOYSA-N 0 0 247.338 3.711 20 0 BHADRN Cc1sccc1CN1Cc2cccc(F)c2C1 ZINC000459727592 203344696 /nfs/dbraw/zinc/34/46/96/203344696.db2.gz YXHDKFBPHFYXFI-UHFFFAOYSA-N 0 0 247.338 3.711 20 0 BHADRN Cc1ccc(CN2Cc3ccc(Cl)cc3C2)o1 ZINC000459747254 203353634 /nfs/dbraw/zinc/35/36/34/203353634.db2.gz JHQLNGGTKOHMIB-UHFFFAOYSA-N 0 0 247.725 3.757 20 0 BHADRN Fc1cccc2c1CN(CC1=CCCCC1)C2 ZINC000459751087 203355717 /nfs/dbraw/zinc/35/57/17/203355717.db2.gz NXQSKNJDXVFPDH-UHFFFAOYSA-N 0 0 231.314 3.642 20 0 BHADRN CC(C)=CCN1Cc2ccc(Cl)cc2C1 ZINC000459753758 203357263 /nfs/dbraw/zinc/35/72/63/203357263.db2.gz NUHRVPLUPFAVMQ-UHFFFAOYSA-N 0 0 221.731 3.622 20 0 BHADRN Cc1ccoc1CN1Cc2ccc(Cl)cc2C1 ZINC000459766629 203359776 /nfs/dbraw/zinc/35/97/76/203359776.db2.gz WJPJNEOJJRKMFY-UHFFFAOYSA-N 0 0 247.725 3.757 20 0 BHADRN FC(F)(F)C12CC(C1)CN2CC1CCCCC1 ZINC000459771516 203362960 /nfs/dbraw/zinc/36/29/60/203362960.db2.gz NRHPZESQHKOIHK-UHFFFAOYSA-N 0 0 247.304 3.593 20 0 BHADRN FC(F)(F)C12CC(C1)CN2CCC1CCCC1 ZINC000459788356 203371192 /nfs/dbraw/zinc/37/11/92/203371192.db2.gz DBJVFZDFPVDBJD-UHFFFAOYSA-N 0 0 247.304 3.593 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1CCCC[C@@H]1CC ZINC000459792473 203370159 /nfs/dbraw/zinc/37/01/59/203370159.db2.gz IJYUQKDFDGEREJ-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1CCCC[C@@H]1CC ZINC000459792474 203369476 /nfs/dbraw/zinc/36/94/76/203369476.db2.gz IJYUQKDFDGEREJ-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N1CCCC[C@H]1CC ZINC000459792475 203369094 /nfs/dbraw/zinc/36/90/94/203369094.db2.gz IJYUQKDFDGEREJ-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1CCCC[C@H]1CC ZINC000459792476 203370378 /nfs/dbraw/zinc/37/03/78/203370378.db2.gz IJYUQKDFDGEREJ-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC(CCC)C(=O)N1CCCC[C@@H]1CC ZINC000459793671 203370892 /nfs/dbraw/zinc/37/08/92/203370892.db2.gz KJQKSIBZMNLWCN-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC(CCC)C(=O)N1CCCC[C@H]1CC ZINC000459793672 203370952 /nfs/dbraw/zinc/37/09/52/203370952.db2.gz KJQKSIBZMNLWCN-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN COc1ccccc1NC(=O)C(C)(C)C(C)(C)C ZINC000459814141 203376352 /nfs/dbraw/zinc/37/63/52/203376352.db2.gz LUJILPYQYDEJIJ-UHFFFAOYSA-N 0 0 249.354 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)Nc1ccccc1OC ZINC000459816398 203375898 /nfs/dbraw/zinc/37/58/98/203375898.db2.gz OBVZMLRLXHSOSN-GFCCVEGCSA-N 0 0 249.354 3.706 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)Nc1ccccc1OC ZINC000459816399 203375118 /nfs/dbraw/zinc/37/51/18/203375118.db2.gz OBVZMLRLXHSOSN-LBPRGKRZSA-N 0 0 249.354 3.706 20 0 BHADRN FC(F)(F)C12CC(C1)CN2CC1=CCCCC1 ZINC000459818113 203375944 /nfs/dbraw/zinc/37/59/44/203375944.db2.gz YBTUIVXZLFEAMV-UHFFFAOYSA-N 0 0 245.288 3.514 20 0 BHADRN CCCC(CCC)C(=O)NC(C)(C)CC ZINC000459824551 203377076 /nfs/dbraw/zinc/37/70/76/203377076.db2.gz BQYCMJJGYGOSLB-UHFFFAOYSA-N 0 0 213.365 3.508 20 0 BHADRN CC(C)CCCC(=O)Nc1cc(F)ccc1F ZINC000459839969 203379338 /nfs/dbraw/zinc/37/93/38/203379338.db2.gz WASUZDUPRUYILQ-UHFFFAOYSA-N 0 0 241.281 3.730 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000459842130 203378061 /nfs/dbraw/zinc/37/80/61/203378061.db2.gz ULGNYECAVYMDBV-VXGBXAGGSA-N 0 0 245.366 3.969 20 0 BHADRN CCc1ccccc1NC(=O)[C@@]1(C)CC=CCC1 ZINC000459868894 203378607 /nfs/dbraw/zinc/37/86/07/203378607.db2.gz XAFCBWSIMFFJDA-INIZCTEOSA-N 0 0 243.350 3.934 20 0 BHADRN CCc1ccccc1NC(=O)[C@]1(C)CC=CCC1 ZINC000459868896 203378073 /nfs/dbraw/zinc/37/80/73/203378073.db2.gz XAFCBWSIMFFJDA-MRXNPFEDSA-N 0 0 243.350 3.934 20 0 BHADRN CC1CCC(N(C)C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000459878748 203378296 /nfs/dbraw/zinc/37/82/96/203378296.db2.gz LQJUJADBSUTZRI-XUJLQICISA-N 0 0 249.398 3.770 20 0 BHADRN CC1CCC(N(C)C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000459878749 203379147 /nfs/dbraw/zinc/37/91/47/203379147.db2.gz LQJUJADBSUTZRI-ZBCRRDGASA-N 0 0 249.398 3.770 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)Nc1ncccc1C ZINC000459886322 203379161 /nfs/dbraw/zinc/37/91/61/203379161.db2.gz JKYNPQPBMQUYSD-CYBMUJFWSA-N 0 0 248.370 3.791 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)Nc1ncccc1C ZINC000459886326 203378527 /nfs/dbraw/zinc/37/85/27/203378527.db2.gz JKYNPQPBMQUYSD-ZDUSSCGKSA-N 0 0 248.370 3.791 20 0 BHADRN CN(C(=O)[C@@]1(C)CC=CCC1)C1CCCCCC1 ZINC000459915094 203378157 /nfs/dbraw/zinc/37/81/57/203378157.db2.gz ZPEVFXKDUJMLEM-INIZCTEOSA-N 0 0 249.398 3.914 20 0 BHADRN CN(C(=O)[C@]1(C)CC=CCC1)C1CCCCCC1 ZINC000459915096 203378464 /nfs/dbraw/zinc/37/84/64/203378464.db2.gz ZPEVFXKDUJMLEM-MRXNPFEDSA-N 0 0 249.398 3.914 20 0 BHADRN Cc1cc(C)c(NC(=O)CCCC(C)C)c(C)n1 ZINC000459936531 203378028 /nfs/dbraw/zinc/37/80/28/203378028.db2.gz VOJHCTLYWDPOTI-UHFFFAOYSA-N 0 0 248.370 3.772 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000459937594 203378893 /nfs/dbraw/zinc/37/88/93/203378893.db2.gz ZXDSMPFJUSPDJP-MELADBBJSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000459937595 203378006 /nfs/dbraw/zinc/37/80/06/203378006.db2.gz ZXDSMPFJUSPDJP-MGPQQGTHSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)[C@@H](C)N(C)C(=O)C(C)(C)C(C)(C)C ZINC000459942132 203379133 /nfs/dbraw/zinc/37/91/33/203379133.db2.gz DKKYFJNANMORCU-LLVKDONJSA-N 0 0 227.392 3.562 20 0 BHADRN CC(C)[C@H](C)N(C)C(=O)C(C)(C)C(C)(C)C ZINC000459942754 203379174 /nfs/dbraw/zinc/37/91/74/203379174.db2.gz DKKYFJNANMORCU-NSHDSACASA-N 0 0 227.392 3.562 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C1CC1 ZINC000459947655 203378968 /nfs/dbraw/zinc/37/89/68/203378968.db2.gz OMFRANKKAOVMLU-GXTWGEPZSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C1CC1 ZINC000459947657 203379078 /nfs/dbraw/zinc/37/90/78/203379078.db2.gz OMFRANKKAOVMLU-JSGCOSHPSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N(C)[C@H](C)C1CC1 ZINC000459947658 203377917 /nfs/dbraw/zinc/37/79/17/203377917.db2.gz OMFRANKKAOVMLU-OCCSQVGLSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N(C)[C@H](C)C1CC1 ZINC000459947659 203377609 /nfs/dbraw/zinc/37/76/09/203377609.db2.gz OMFRANKKAOVMLU-TZMCWYRMSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N(C(C)C)C1CC1 ZINC000459950871 203378856 /nfs/dbraw/zinc/37/88/56/203378856.db2.gz LNXMJXSFVBWMPB-CYBMUJFWSA-N 0 0 239.403 3.848 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N(C(C)C)C1CC1 ZINC000459950872 203377854 /nfs/dbraw/zinc/37/78/54/203377854.db2.gz LNXMJXSFVBWMPB-ZDUSSCGKSA-N 0 0 239.403 3.848 20 0 BHADRN CCCC(CCC)C(=O)N(C(C)C)C1CC1 ZINC000459952598 203378401 /nfs/dbraw/zinc/37/84/01/203378401.db2.gz MZZWWDSDCABLIY-UHFFFAOYSA-N 0 0 225.376 3.602 20 0 BHADRN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000459955094 203378107 /nfs/dbraw/zinc/37/81/07/203378107.db2.gz ASCAQDSDGFGFAB-FMKPAKJESA-N 0 0 249.398 3.770 20 0 BHADRN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC000459955096 203378388 /nfs/dbraw/zinc/37/83/88/203378388.db2.gz ASCAQDSDGFGFAB-IIAWOOMASA-N 0 0 249.398 3.770 20 0 BHADRN C[C@@H]1CCC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC000459955097 203378523 /nfs/dbraw/zinc/37/85/23/203378523.db2.gz ASCAQDSDGFGFAB-IJEWVQPXSA-N 0 0 249.398 3.770 20 0 BHADRN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000459955099 203379183 /nfs/dbraw/zinc/37/91/83/203379183.db2.gz ASCAQDSDGFGFAB-YCPHGPKFSA-N 0 0 249.398 3.770 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N(C)[C@H](C)CC ZINC000459960194 203377765 /nfs/dbraw/zinc/37/77/65/203377765.db2.gz FRQMGTUIFNVVID-CHWSQXEVSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N(C)[C@H](C)CC ZINC000459960196 203377993 /nfs/dbraw/zinc/37/79/93/203377993.db2.gz FRQMGTUIFNVVID-OLZOCXBDSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N(C)[C@@H](C)CC ZINC000459960197 203378247 /nfs/dbraw/zinc/37/82/47/203378247.db2.gz FRQMGTUIFNVVID-QWHCGFSZSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)CC ZINC000459960200 203379345 /nfs/dbraw/zinc/37/93/45/203379345.db2.gz FRQMGTUIFNVVID-STQMWFEESA-N 0 0 227.392 3.706 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N(C)[C@H](C)C(C)C ZINC000459963597 203379115 /nfs/dbraw/zinc/37/91/15/203379115.db2.gz ZSGYDLHWQQBONT-CHWSQXEVSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N(C)[C@H](C)C(C)C ZINC000459963598 203379099 /nfs/dbraw/zinc/37/90/99/203379099.db2.gz ZSGYDLHWQQBONT-OLZOCXBDSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(C)C ZINC000459963599 203379104 /nfs/dbraw/zinc/37/91/04/203379104.db2.gz ZSGYDLHWQQBONT-QWHCGFSZSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(C)C ZINC000459963600 203379244 /nfs/dbraw/zinc/37/92/44/203379244.db2.gz ZSGYDLHWQQBONT-STQMWFEESA-N 0 0 227.392 3.562 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)C1(C2CCC2)CCC1 ZINC000460012234 203380475 /nfs/dbraw/zinc/38/04/75/203380475.db2.gz VJVQLTKIFNECSV-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](C)N(C)C(=O)C1(C2CCC2)CCC1 ZINC000460012236 203379752 /nfs/dbraw/zinc/37/97/52/203379752.db2.gz VJVQLTKIFNECSV-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)C(C)(C)C(C)(C)C ZINC000460013028 203380413 /nfs/dbraw/zinc/38/04/13/203380413.db2.gz WNQFCULWNIEUIS-LLVKDONJSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@H](C)N(C)C(=O)C(C)(C)C(C)(C)C ZINC000460013031 203380667 /nfs/dbraw/zinc/38/06/67/203380667.db2.gz WNQFCULWNIEUIS-NSHDSACASA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N(CC)C(C)C ZINC000460015300 203381219 /nfs/dbraw/zinc/38/12/19/203381219.db2.gz WNFZXFDUGWTOSV-CYBMUJFWSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N(CC)C(C)C ZINC000460015302 203380742 /nfs/dbraw/zinc/38/07/42/203380742.db2.gz WNFZXFDUGWTOSV-ZDUSSCGKSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)[C@H](CC)CC(C)C ZINC000460015543 203380761 /nfs/dbraw/zinc/38/07/61/203380761.db2.gz ZKILNJUMXPLZGM-CHWSQXEVSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)[C@@H](CC)CC(C)C ZINC000460015544 203380729 /nfs/dbraw/zinc/38/07/29/203380729.db2.gz ZKILNJUMXPLZGM-OLZOCXBDSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@H](C)N(C)C(=O)[C@H](CC)CC(C)C ZINC000460015545 203380920 /nfs/dbraw/zinc/38/09/20/203380920.db2.gz ZKILNJUMXPLZGM-QWHCGFSZSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@H](C)N(C)C(=O)[C@@H](CC)CC(C)C ZINC000460015546 203380205 /nfs/dbraw/zinc/38/02/05/203380205.db2.gz ZKILNJUMXPLZGM-STQMWFEESA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@H](CC(C)C)C(=O)N(C)c1ccccn1 ZINC000460027319 203380293 /nfs/dbraw/zinc/38/02/93/203380293.db2.gz UZSXOVJWPVBGFJ-CYBMUJFWSA-N 0 0 248.370 3.507 20 0 BHADRN CCC[C@@H](CC(C)C)C(=O)N(C)c1ccccn1 ZINC000460027320 203380707 /nfs/dbraw/zinc/38/07/07/203380707.db2.gz UZSXOVJWPVBGFJ-ZDUSSCGKSA-N 0 0 248.370 3.507 20 0 BHADRN CC[C@@H](NC(=O)C(C)(C)C(C)(C)C)C(C)C ZINC000460036448 203380274 /nfs/dbraw/zinc/38/02/74/203380274.db2.gz KDBPETIEKWKKSK-LLVKDONJSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](NC(=O)C(C)(C)C(C)(C)C)C(C)C ZINC000460036451 203381181 /nfs/dbraw/zinc/38/11/81/203381181.db2.gz KDBPETIEKWKKSK-NSHDSACASA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@@H](NC(=O)C1(C2CCC2)CCC1)C(C)C ZINC000460036838 203379903 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/nfs/dbraw/zinc/38/01/51/203380151.db2.gz VFEFYCFEFJLFKR-QWRGUYRKSA-N 0 0 249.345 3.561 20 0 BHADRN CC[C@H](CC(F)F)C(=O)N(CC)[C@@H](C)C(C)C ZINC000460068889 203379859 /nfs/dbraw/zinc/37/98/59/203379859.db2.gz VFEFYCFEFJLFKR-WDEREUQCSA-N 0 0 249.345 3.561 20 0 BHADRN CCN(C(=O)CC(C)(C)C1CC1)[C@H](C)C(C)C ZINC000460069674 203380858 /nfs/dbraw/zinc/38/08/58/203380858.db2.gz WRBHIQAPDMJPTE-GFCCVEGCSA-N 0 0 239.403 3.706 20 0 BHADRN CCN(C(=O)CC(C)(C)C1CC1)[C@@H](C)C(C)C ZINC000460069675 203380530 /nfs/dbraw/zinc/38/05/30/203380530.db2.gz WRBHIQAPDMJPTE-LBPRGKRZSA-N 0 0 239.403 3.706 20 0 BHADRN CCCN(CC(F)F)C(=O)[C@H](CC)CC(C)C ZINC000460071314 203380313 /nfs/dbraw/zinc/38/03/13/203380313.db2.gz DHEFOLXJDHKDKQ-LLVKDONJSA-N 0 0 249.345 3.562 20 0 BHADRN CCCN(CC(F)F)C(=O)[C@@H](CC)CC(C)C ZINC000460071315 203380953 /nfs/dbraw/zinc/38/09/53/203380953.db2.gz DHEFOLXJDHKDKQ-NSHDSACASA-N 0 0 249.345 3.562 20 0 BHADRN CCCN(CC(F)F)C(=O)C(C)(C)C(C)(C)C ZINC000460075112 203381242 /nfs/dbraw/zinc/38/12/42/203381242.db2.gz KQUGVGLBUZGYEW-UHFFFAOYSA-N 0 0 249.345 3.562 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)N(C(C)C)C1CCCCC1 ZINC000460080823 203380957 /nfs/dbraw/zinc/38/09/57/203380957.db2.gz RITLANARQDPXHW-TZMCWYRMSA-N 0 0 237.387 3.602 20 0 BHADRN CCC(CC)N(CC)C(=O)N[C@H](CC)C(C)C ZINC000460115745 528774271 /nfs/dbraw/zinc/77/42/71/528774271.db2.gz NPDDFHFROSDYDY-CYBMUJFWSA-N 0 0 242.407 3.641 20 0 BHADRN CCC(CC)N(CC)C(=O)N[C@@H](CC)C(C)C ZINC000460115750 528773597 /nfs/dbraw/zinc/77/35/97/528773597.db2.gz NPDDFHFROSDYDY-ZDUSSCGKSA-N 0 0 242.407 3.641 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)N[C@H](CC)C(C)C ZINC000460117500 388195269 /nfs/dbraw/zinc/19/52/69/388195269.db2.gz SUQNCXZZTBUSNJ-CHWSQXEVSA-N 0 0 242.407 3.641 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)N[C@@H](CC)C(C)C ZINC000460117502 388195613 /nfs/dbraw/zinc/19/56/13/388195613.db2.gz SUQNCXZZTBUSNJ-OLZOCXBDSA-N 0 0 242.407 3.641 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)N[C@H](CC)C(C)C ZINC000460117503 528890245 /nfs/dbraw/zinc/89/02/45/528890245.db2.gz SUQNCXZZTBUSNJ-QWHCGFSZSA-N 0 0 242.407 3.641 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)N[C@@H](CC)C(C)C ZINC000460117504 388195380 /nfs/dbraw/zinc/19/53/80/388195380.db2.gz SUQNCXZZTBUSNJ-STQMWFEESA-N 0 0 242.407 3.641 20 0 BHADRN CCC(CC)N(CC)C(=O)N[C@@H](C)[C@H](C)CC ZINC000460120704 388200521 /nfs/dbraw/zinc/20/05/21/388200521.db2.gz HTUAGFRGFSPXPP-NEPJUHHUSA-N 0 0 242.407 3.641 20 0 BHADRN CCC(CC)N(CC)C(=O)N[C@H](C)[C@@H](C)CC ZINC000460120705 388200140 /nfs/dbraw/zinc/20/01/40/388200140.db2.gz HTUAGFRGFSPXPP-NWDGAFQWSA-N 0 0 242.407 3.641 20 0 BHADRN CCC(CC)N(CC)C(=O)N[C@@H](C)[C@@H](C)CC ZINC000460120706 388200045 /nfs/dbraw/zinc/20/00/45/388200045.db2.gz HTUAGFRGFSPXPP-RYUDHWBXSA-N 0 0 242.407 3.641 20 0 BHADRN CCC(CC)N(CC)C(=O)N[C@H](C)[C@H](C)CC ZINC000460120707 388200524 /nfs/dbraw/zinc/20/05/24/388200524.db2.gz HTUAGFRGFSPXPP-VXGBXAGGSA-N 0 0 242.407 3.641 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)N[C@@H](C)[C@H](C)CC ZINC000460121524 388201175 /nfs/dbraw/zinc/20/11/75/388201175.db2.gz QTHXLNJZXGHJNZ-AGIUHOORSA-N 0 0 242.407 3.641 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)N[C@@H](C)[C@@H](C)CC ZINC000460121525 388201362 /nfs/dbraw/zinc/20/13/62/388201362.db2.gz QTHXLNJZXGHJNZ-AVGNSLFASA-N 0 0 242.407 3.641 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)N[C@H](C)[C@H](C)CC ZINC000460121526 388201348 /nfs/dbraw/zinc/20/13/48/388201348.db2.gz QTHXLNJZXGHJNZ-FRRDWIJNSA-N 0 0 242.407 3.641 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)N[C@H](C)[C@@H](C)CC ZINC000460121527 388201428 /nfs/dbraw/zinc/20/14/28/388201428.db2.gz QTHXLNJZXGHJNZ-RWMBFGLXSA-N 0 0 242.407 3.641 20 0 BHADRN CCC(CC)N(CC)C(=O)NCCC(C)(C)C ZINC000460124195 259504014 /nfs/dbraw/zinc/50/40/14/259504014.db2.gz PFDCSBNMAADMHC-UHFFFAOYSA-N 0 0 242.407 3.643 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)NCCC(C)(C)C ZINC000460126636 388208789 /nfs/dbraw/zinc/20/87/89/388208789.db2.gz YIQRTZURLJCLIH-GFCCVEGCSA-N 0 0 242.407 3.643 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)NCCC(C)(C)C ZINC000460126637 388208768 /nfs/dbraw/zinc/20/87/68/388208768.db2.gz YIQRTZURLJCLIH-LBPRGKRZSA-N 0 0 242.407 3.643 20 0 BHADRN CCc1cccc(Cc2nc(C(C)(C)C)no2)c1 ZINC000460135637 388228950 /nfs/dbraw/zinc/22/89/50/388228950.db2.gz NIAZVSDPNUWZNS-UHFFFAOYSA-N 0 0 244.338 3.520 20 0 BHADRN C/C=C/C=C\c1nc(-c2ccc(C)cc2F)no1 ZINC000460135809 388229106 /nfs/dbraw/zinc/22/91/06/388229106.db2.gz NYVFJWBNBXQYGT-ICWBMWKASA-N 0 0 244.269 3.773 20 0 BHADRN C/C=C/C=C/c1nc(-c2ccc(C)cc2F)no1 ZINC000460135815 388228672 /nfs/dbraw/zinc/22/86/72/388228672.db2.gz NYVFJWBNBXQYGT-VNKDHWASSA-N 0 0 244.269 3.773 20 0 BHADRN Cc1ccc(-c2noc(CC3CCC3)n2)c(F)c1 ZINC000460135931 388229224 /nfs/dbraw/zinc/22/92/24/388229224.db2.gz AMFLEQOGUQCGNO-UHFFFAOYSA-N 0 0 246.285 3.527 20 0 BHADRN Cc1ccc(-c2noc(CCC(C)C)n2)c(F)c1 ZINC000460136311 388229810 /nfs/dbraw/zinc/22/98/10/388229810.db2.gz OZNJUFPXNGUPGL-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN Cc1ccc(-c2noc(C3CCCC3)n2)c(F)c1 ZINC000460137856 388232455 /nfs/dbraw/zinc/23/24/55/388232455.db2.gz GBTOGHJPWSEOQC-UHFFFAOYSA-N 0 0 246.285 3.842 20 0 BHADRN CCCCc1nc(-c2ccc(C)cc2F)no1 ZINC000460138159 388232743 /nfs/dbraw/zinc/23/27/43/388232743.db2.gz HFJRWYHETTUWHB-UHFFFAOYSA-N 0 0 234.274 3.527 20 0 BHADRN CC(C)=Cc1nc(-c2ccc(C)cc2F)no1 ZINC000460138490 388232593 /nfs/dbraw/zinc/23/25/93/388232593.db2.gz IRNVYWVMNCBIGD-UHFFFAOYSA-N 0 0 232.258 3.607 20 0 BHADRN C[C@@H]1CCC[C@@H](c2nc(C(C)(C)C)no2)C1 ZINC000460139652 397995933 /nfs/dbraw/zinc/99/59/33/397995933.db2.gz QMDPSNOAPGSQCO-NXEZZACHSA-N 0 0 222.332 3.661 20 0 BHADRN C[C@H]1CCC[C@H](c2nc(C(C)(C)C)no2)C1 ZINC000460139656 397996189 /nfs/dbraw/zinc/99/61/89/397996189.db2.gz QMDPSNOAPGSQCO-UWVGGRQHSA-N 0 0 222.332 3.661 20 0 BHADRN C[C@H]1CCC[C@@H](c2nc(C(C)(C)C)no2)C1 ZINC000460139657 397996140 /nfs/dbraw/zinc/99/61/40/397996140.db2.gz QMDPSNOAPGSQCO-VHSXEESVSA-N 0 0 222.332 3.661 20 0 BHADRN C[C@@H]1CCC[C@H](c2nc(C(C)(C)C)no2)C1 ZINC000460139658 397996173 /nfs/dbraw/zinc/99/61/73/397996173.db2.gz QMDPSNOAPGSQCO-ZJUUUORDSA-N 0 0 222.332 3.661 20 0 BHADRN Cc1ccc(-c2noc(CC(C)(C)C)n2)c(F)c1 ZINC000460142937 534230132 /nfs/dbraw/zinc/23/01/32/534230132.db2.gz LVZYNZXAHICKSW-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN CCC[C@@H](CC)NC(=O)N(CC)C(CC)CC ZINC000460143236 388237341 /nfs/dbraw/zinc/23/73/41/388237341.db2.gz MQSQDIDDKNHRPS-GFCCVEGCSA-N 0 0 242.407 3.785 20 0 BHADRN CCC[C@H](CC)NC(=O)N(CC)C(CC)CC ZINC000460143237 528096811 /nfs/dbraw/zinc/09/68/11/528096811.db2.gz MQSQDIDDKNHRPS-LBPRGKRZSA-N 0 0 242.407 3.785 20 0 BHADRN CC/C=C(\C)c1nc(-c2ccc(C)cc2F)no1 ZINC000460143527 528768547 /nfs/dbraw/zinc/76/85/47/528768547.db2.gz PBZWKKGESMZTNR-BJMVGYQFSA-N 0 0 246.285 3.997 20 0 BHADRN CC/C=C(/C)c1nc(-c2ccc(C)cc2F)no1 ZINC000460143528 528763036 /nfs/dbraw/zinc/76/30/36/528763036.db2.gz PBZWKKGESMZTNR-YHYXMXQVSA-N 0 0 246.285 3.997 20 0 BHADRN Cc1ccc(-c2noc(C3(C)CCC3)n2)c(F)c1 ZINC000460143937 534230169 /nfs/dbraw/zinc/23/01/69/534230169.db2.gz RNABIUNNAOJDGI-UHFFFAOYSA-N 0 0 246.285 3.626 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)N[C@H](CC)CCC ZINC000460144779 528759163 /nfs/dbraw/zinc/75/91/63/528759163.db2.gz YBLREMIQEYQEQI-CHWSQXEVSA-N 0 0 242.407 3.785 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)N[C@@H](CC)CCC ZINC000460144780 528759186 /nfs/dbraw/zinc/75/91/86/528759186.db2.gz YBLREMIQEYQEQI-OLZOCXBDSA-N 0 0 242.407 3.785 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)N[C@H](CC)CCC ZINC000460144781 528889914 /nfs/dbraw/zinc/88/99/14/528889914.db2.gz YBLREMIQEYQEQI-QWHCGFSZSA-N 0 0 242.407 3.785 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)N[C@@H](CC)CCC ZINC000460144782 528889138 /nfs/dbraw/zinc/88/91/38/528889138.db2.gz YBLREMIQEYQEQI-STQMWFEESA-N 0 0 242.407 3.785 20 0 BHADRN CC[C@@H](C)c1nc(-c2ccc(C)cc2F)no1 ZINC000460145778 529431196 /nfs/dbraw/zinc/43/11/96/529431196.db2.gz KSURWKCXXRGJBA-SECBINFHSA-N 0 0 234.274 3.698 20 0 BHADRN CC[C@H](C)c1nc(-c2ccc(C)cc2F)no1 ZINC000460145779 529275894 /nfs/dbraw/zinc/27/58/94/529275894.db2.gz KSURWKCXXRGJBA-VIFPVBQESA-N 0 0 234.274 3.698 20 0 BHADRN CCC(C)(C)c1nc(-c2ccc(C)cc2F)no1 ZINC000460148413 528609420 /nfs/dbraw/zinc/60/94/20/528609420.db2.gz ZBRVWZJCDGPTSL-UHFFFAOYSA-N 0 0 248.301 3.872 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)NCCCC(C)C ZINC000460158455 388238691 /nfs/dbraw/zinc/23/86/91/388238691.db2.gz CVUPVXIPUUJDIC-CYBMUJFWSA-N 0 0 242.407 3.643 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)NCCCC(C)C ZINC000460158456 528889196 /nfs/dbraw/zinc/88/91/96/528889196.db2.gz CVUPVXIPUUJDIC-ZDUSSCGKSA-N 0 0 242.407 3.643 20 0 BHADRN CCC(CC)N(CC)C(=O)NCCCC(C)C ZINC000460165982 528772679 /nfs/dbraw/zinc/77/26/79/528772679.db2.gz TWPLHFNBSMTICU-UHFFFAOYSA-N 0 0 242.407 3.643 20 0 BHADRN C=Cc1ccc(C(=O)NC(C)(CC)CC)cc1 ZINC000460198796 388243913 /nfs/dbraw/zinc/24/39/13/388243913.db2.gz QCUBQKNXWIQNCB-UHFFFAOYSA-N 0 0 231.339 3.638 20 0 BHADRN C=Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000460281424 388257284 /nfs/dbraw/zinc/25/72/84/388257284.db2.gz GTJZQIYBGLRBOT-DOMZBBRYSA-N 0 0 243.350 3.638 20 0 BHADRN C=Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000460281434 527643670 /nfs/dbraw/zinc/64/36/70/527643670.db2.gz GTJZQIYBGLRBOT-IUODEOHRSA-N 0 0 243.350 3.638 20 0 BHADRN C=Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000460281435 388257426 /nfs/dbraw/zinc/25/74/26/388257426.db2.gz GTJZQIYBGLRBOT-SWLSCSKDSA-N 0 0 243.350 3.638 20 0 BHADRN C=Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000460281443 388256964 /nfs/dbraw/zinc/25/69/64/388256964.db2.gz GTJZQIYBGLRBOT-WFASDCNBSA-N 0 0 243.350 3.638 20 0 BHADRN C=Cc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000460286692 527642990 /nfs/dbraw/zinc/64/29/90/527642990.db2.gz VWBYVXBDAMWSEP-UHFFFAOYSA-N 0 0 243.350 3.782 20 0 BHADRN C=Cc1ccc(C(=O)N[C@H](C)CCC(C)C)cc1 ZINC000460289716 388257443 /nfs/dbraw/zinc/25/74/43/388257443.db2.gz LSSNTBFZLJUTGV-CYBMUJFWSA-N 0 0 245.366 3.884 20 0 BHADRN C=Cc1ccc(C(=O)N[C@@H](C)CCC(C)C)cc1 ZINC000460289717 388257238 /nfs/dbraw/zinc/25/72/38/388257238.db2.gz LSSNTBFZLJUTGV-ZDUSSCGKSA-N 0 0 245.366 3.884 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)NCC(CC)CC ZINC000460323859 388387553 /nfs/dbraw/zinc/38/75/53/388387553.db2.gz XVLSZWGJIFUISV-GFCCVEGCSA-N 0 0 242.407 3.643 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)NCC(CC)CC ZINC000460323860 384724971 /nfs/dbraw/zinc/72/49/71/384724971.db2.gz XVLSZWGJIFUISV-LBPRGKRZSA-N 0 0 242.407 3.643 20 0 BHADRN CCCCC(=O)N(C)[C@@H](CC)Cc1ccccc1 ZINC000460324418 361873489 /nfs/dbraw/zinc/87/34/89/361873489.db2.gz ALBZIOUJZKXJFF-HNNXBMFYSA-N 0 0 247.382 3.656 20 0 BHADRN CCCCC(=O)N(C)[C@H](CC)Cc1ccccc1 ZINC000460324419 324150444 /nfs/dbraw/zinc/15/04/44/324150444.db2.gz ALBZIOUJZKXJFF-OAHLLOKOSA-N 0 0 247.382 3.656 20 0 BHADRN CCC(CC)CNC(=O)N(CC)C(CC)CC ZINC000460329868 388257294 /nfs/dbraw/zinc/25/72/94/388257294.db2.gz RAVRWURUOTWRDX-UHFFFAOYSA-N 0 0 242.407 3.643 20 0 BHADRN CC(C)(C)CCC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000460389791 384711468 /nfs/dbraw/zinc/71/14/68/384711468.db2.gz DLEJRJGQHSTNNL-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)(C)CCC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000460389792 219867944 /nfs/dbraw/zinc/86/79/44/219867944.db2.gz DLEJRJGQHSTNNL-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)(C)CCC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000460389793 384709435 /nfs/dbraw/zinc/70/94/35/384709435.db2.gz DLEJRJGQHSTNNL-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)(C)CCC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000460389794 384709027 /nfs/dbraw/zinc/70/90/27/384709027.db2.gz DLEJRJGQHSTNNL-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc(CNc2nccc(C)c2Cl)cc1 ZINC000460407190 384737296 /nfs/dbraw/zinc/73/72/96/384737296.db2.gz UWQYSPMVRPIQBO-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1ccccc1CNc1nccc(C)c1Cl ZINC000460407377 384734894 /nfs/dbraw/zinc/73/48/94/384734894.db2.gz FERBJMLXEAKZNE-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1ccnc(N(C)Cc2ccccc2)c1Cl ZINC000460417061 384756825 /nfs/dbraw/zinc/75/68/25/384756825.db2.gz VZVBPWZROUFOEV-UHFFFAOYSA-N 0 0 246.741 3.680 20 0 BHADRN Cc1ccnc(N2C[C@H](C)C[C@H](C)C2)c1Cl ZINC000460419308 384762076 /nfs/dbraw/zinc/76/20/76/384762076.db2.gz JFKVBPPZDWZSAW-AOOOYVTPSA-N 0 0 238.762 3.526 20 0 BHADRN Cc1ccnc(N2C[C@H](C)C[C@@H](C)C2)c1Cl ZINC000460419313 384764184 /nfs/dbraw/zinc/76/41/84/384764184.db2.gz JFKVBPPZDWZSAW-NXEZZACHSA-N 0 0 238.762 3.526 20 0 BHADRN Cc1ccnc(N2C[C@@H](C)C[C@H](C)C2)c1Cl ZINC000460419314 384764399 /nfs/dbraw/zinc/76/43/99/384764399.db2.gz JFKVBPPZDWZSAW-UWVGGRQHSA-N 0 0 238.762 3.526 20 0 BHADRN CC1(CSc2ncccn2)CCCCC1 ZINC000460434200 384787350 /nfs/dbraw/zinc/78/73/50/384787350.db2.gz CLXPXUFVQYXJLE-UHFFFAOYSA-N 0 0 222.357 3.539 20 0 BHADRN CC[C@@H](C)C(=O)N1CCCCCc2ccccc21 ZINC000460478957 384866066 /nfs/dbraw/zinc/86/60/66/384866066.db2.gz GCDHNSGVWHWQIJ-CYBMUJFWSA-N 0 0 245.366 3.792 20 0 BHADRN CC[C@H](C)C(=O)N1CCCCCc2ccccc21 ZINC000460478976 384866885 /nfs/dbraw/zinc/86/68/85/384866885.db2.gz GCDHNSGVWHWQIJ-ZDUSSCGKSA-N 0 0 245.366 3.792 20 0 BHADRN O=C(C1CCC1)N1CCCCCc2ccccc21 ZINC000460487020 384879046 /nfs/dbraw/zinc/87/90/46/384879046.db2.gz AXEIJRHJBBXIJI-UHFFFAOYSA-N 0 0 243.350 3.546 20 0 BHADRN CC(C)CC(=O)N1CCCCCc2ccccc21 ZINC000460495990 384884916 /nfs/dbraw/zinc/88/49/16/384884916.db2.gz YLUWZEXHMBUYAK-UHFFFAOYSA-N 0 0 245.366 3.792 20 0 BHADRN CCCCC(=O)N1CCCCCc2ccccc21 ZINC000460498722 384889134 /nfs/dbraw/zinc/88/91/34/384889134.db2.gz IKXLSKUKHRSZPR-UHFFFAOYSA-N 0 0 245.366 3.936 20 0 BHADRN C=Cc1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000460502433 384896241 /nfs/dbraw/zinc/89/62/41/384896241.db2.gz INNBXPMTFUYXAZ-UHFFFAOYSA-N 0 0 237.302 3.606 20 0 BHADRN C=Cc1ccc(C(=O)N2CCCC[C@@H]2CC)cc1 ZINC000460504322 384890733 /nfs/dbraw/zinc/89/07/33/384890733.db2.gz WZAILAAVSFNBFJ-HNNXBMFYSA-N 0 0 243.350 3.734 20 0 BHADRN C=Cc1ccc(C(=O)N2CCCC[C@H]2CC)cc1 ZINC000460504323 384888162 /nfs/dbraw/zinc/88/81/62/384888162.db2.gz WZAILAAVSFNBFJ-OAHLLOKOSA-N 0 0 243.350 3.734 20 0 BHADRN CC(C)c1nc(-c2cccc(Cl)c2F)no1 ZINC000460520552 384916216 /nfs/dbraw/zinc/91/62/16/384916216.db2.gz NQDITGPNFIMUBA-UHFFFAOYSA-N 0 0 240.665 3.653 20 0 BHADRN CC(C)(C)c1noc(C(C)(C)c2ccccc2)n1 ZINC000460549335 526899822 /nfs/dbraw/zinc/89/98/22/526899822.db2.gz ANUUPFZMYITDOT-UHFFFAOYSA-N 0 0 244.338 3.693 20 0 BHADRN CC(C)CC(C)(C)c1nc(C(C)(C)C)no1 ZINC000460556274 384959337 /nfs/dbraw/zinc/95/93/37/384959337.db2.gz LPAZNUNRXRAMBI-UHFFFAOYSA-N 0 0 224.348 3.691 20 0 BHADRN CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000460562466 384972836 /nfs/dbraw/zinc/97/28/36/384972836.db2.gz SUPVKQOTFHYACF-BFHYXJOUSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000460562467 384972536 /nfs/dbraw/zinc/97/25/36/384972536.db2.gz SUPVKQOTFHYACF-HZSPNIEDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000460562468 219868237 /nfs/dbraw/zinc/86/82/37/219868237.db2.gz SUPVKQOTFHYACF-MELADBBJSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000460562469 384973000 /nfs/dbraw/zinc/97/30/00/384973000.db2.gz SUPVKQOTFHYACF-MGPQQGTHSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000460566490 384978866 /nfs/dbraw/zinc/97/88/66/384978866.db2.gz KQPUEIDXWSHBAL-BFHYXJOUSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000460566491 219868463 /nfs/dbraw/zinc/86/84/63/219868463.db2.gz KQPUEIDXWSHBAL-HZSPNIEDSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000460566492 219868301 /nfs/dbraw/zinc/86/83/01/219868301.db2.gz KQPUEIDXWSHBAL-MELADBBJSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000460566493 219868399 /nfs/dbraw/zinc/86/83/99/219868399.db2.gz KQPUEIDXWSHBAL-MGPQQGTHSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000460567980 384982812 /nfs/dbraw/zinc/98/28/12/384982812.db2.gz QYSIPAXXQGTXBB-BFHYXJOUSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000460567981 219868470 /nfs/dbraw/zinc/86/84/70/219868470.db2.gz QYSIPAXXQGTXBB-HZSPNIEDSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000460567982 384982167 /nfs/dbraw/zinc/98/21/67/384982167.db2.gz QYSIPAXXQGTXBB-MELADBBJSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000460567983 219868293 /nfs/dbraw/zinc/86/82/93/219868293.db2.gz QYSIPAXXQGTXBB-MGPQQGTHSA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000460570656 384989209 /nfs/dbraw/zinc/98/92/09/384989209.db2.gz FDGUUSKWTVSCLB-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000460570657 384988321 /nfs/dbraw/zinc/98/83/21/384988321.db2.gz FDGUUSKWTVSCLB-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000460570659 384989306 /nfs/dbraw/zinc/98/93/06/384989306.db2.gz FDGUUSKWTVSCLB-RWMBFGLXSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000460570661 384988128 /nfs/dbraw/zinc/98/81/28/384988128.db2.gz FDGUUSKWTVSCLB-YNEHKIRRSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(c2nc(C(C)(C)C)no2)CCC1 ZINC000460571105 384989580 /nfs/dbraw/zinc/98/95/80/384989580.db2.gz HHDUOSJQQPWJOT-UHFFFAOYSA-N 0 0 236.359 3.835 20 0 BHADRN O=C(CC1CCCC1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000460573009 384984466 /nfs/dbraw/zinc/98/44/66/384984466.db2.gz KRDMRLBWNZXPGB-QLFBSQMISA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CC1CCCC1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000460573017 384986199 /nfs/dbraw/zinc/98/61/99/384986199.db2.gz KRDMRLBWNZXPGB-RBSFLKMASA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CC1CCCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000460573018 384984610 /nfs/dbraw/zinc/98/46/10/384984610.db2.gz KRDMRLBWNZXPGB-RRFJBIMHSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CC1CCCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000460573019 384985345 /nfs/dbraw/zinc/98/53/45/384985345.db2.gz KRDMRLBWNZXPGB-SOUVJXGZSA-N 0 0 249.398 3.652 20 0 BHADRN CCc1ccc(Cc2nc(C(C)(C)C)no2)cc1 ZINC000460574992 219868526 /nfs/dbraw/zinc/86/85/26/219868526.db2.gz OABCDVNCMDAQJW-UHFFFAOYSA-N 0 0 244.338 3.520 20 0 BHADRN CC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCCC1 ZINC000460580326 385004797 /nfs/dbraw/zinc/00/47/97/385004797.db2.gz YBBMWUHAEAVOPR-BFHYXJOUSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CCCC1 ZINC000460580327 385003242 /nfs/dbraw/zinc/00/32/42/385003242.db2.gz YBBMWUHAEAVOPR-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCCC1 ZINC000460580328 385002694 /nfs/dbraw/zinc/00/26/94/385002694.db2.gz YBBMWUHAEAVOPR-MELADBBJSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CCCC1 ZINC000460580329 219868591 /nfs/dbraw/zinc/86/85/91/219868591.db2.gz YBBMWUHAEAVOPR-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000460582947 219868497 /nfs/dbraw/zinc/86/84/97/219868497.db2.gz JNVLEVXCXAZDEP-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000460582948 385001033 /nfs/dbraw/zinc/00/10/33/385001033.db2.gz JNVLEVXCXAZDEP-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000460582949 385000930 /nfs/dbraw/zinc/00/09/30/385000930.db2.gz JNVLEVXCXAZDEP-RWMBFGLXSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000460582950 384999999 /nfs/dbraw/zinc/99/99/99/384999999.db2.gz JNVLEVXCXAZDEP-YNEHKIRRSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](C)c1cc(-c2nc(C(C)(C)C)no2)on1 ZINC000460584007 219868555 /nfs/dbraw/zinc/86/85/55/219868555.db2.gz MGOIHHXJOUKVFB-MRVPVSSYSA-N 0 0 249.314 3.536 20 0 BHADRN CC[C@H](C)c1cc(-c2nc(C(C)(C)C)no2)on1 ZINC000460584008 385001193 /nfs/dbraw/zinc/00/11/93/385001193.db2.gz MGOIHHXJOUKVFB-QMMMGPOBSA-N 0 0 249.314 3.536 20 0 BHADRN C/C(=C\c1nc(C(C)(C)C)no1)C(C)(C)C ZINC000460586750 385011061 /nfs/dbraw/zinc/01/10/61/385011061.db2.gz SWVHVOAIZJUGKJ-CMDGGOBGSA-N 0 0 222.332 3.817 20 0 BHADRN C/C(=C/c1nc(C(C)(C)C)no1)C(C)(C)C ZINC000460586751 219868553 /nfs/dbraw/zinc/86/85/53/219868553.db2.gz SWVHVOAIZJUGKJ-HJWRWDBZSA-N 0 0 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ZINC000461754204 388261576 /nfs/dbraw/zinc/26/15/76/388261576.db2.gz KORWSLSTUPEUAG-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@H]1C[C@@H]1NC(=O)C1(CC)CCCCC1 ZINC000461754205 388261835 /nfs/dbraw/zinc/26/18/35/388261835.db2.gz KORWSLSTUPEUAG-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CCCC(C)C ZINC000461767185 388261510 /nfs/dbraw/zinc/26/15/10/388261510.db2.gz KQNNXDITTALPFN-BFHYXJOUSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)CCCC(C)C ZINC000461767187 388261849 /nfs/dbraw/zinc/26/18/49/388261849.db2.gz KQNNXDITTALPFN-MGPQQGTHSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2ccc(C)cc2)no1 ZINC000461776068 398006304 /nfs/dbraw/zinc/00/63/04/398006304.db2.gz BAGVZFDHNYOOPY-CHWSQXEVSA-N 0 0 242.322 3.949 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C ZINC000461776382 398006571 /nfs/dbraw/zinc/00/65/71/398006571.db2.gz ONXWHECVBSOUFC-ZYHUDNBSSA-N 0 0 235.302 3.509 20 0 BHADRN CCCc1nsc(Sc2cccs2)n1 ZINC000461779120 398006679 /nfs/dbraw/zinc/00/66/79/398006679.db2.gz JZSGATJJXKDDRK-UHFFFAOYSA-N 0 0 242.394 3.703 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000461782685 398006665 /nfs/dbraw/zinc/00/66/65/398006665.db2.gz FHJMRJJZXGDZDW-GBJTYRQASA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000461782686 398006065 /nfs/dbraw/zinc/00/60/65/398006065.db2.gz FHJMRJJZXGDZDW-KBUPBQIOSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000461782687 398006280 /nfs/dbraw/zinc/00/62/80/398006280.db2.gz FHJMRJJZXGDZDW-TUVASFSCSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000461782688 398006028 /nfs/dbraw/zinc/00/60/28/398006028.db2.gz FHJMRJJZXGDZDW-YJNKXOJESA-N 0 0 249.398 3.604 20 0 BHADRN CCCc1nsc(SC(CC)CC)n1 ZINC000461786852 398006354 /nfs/dbraw/zinc/00/63/54/398006354.db2.gz SANHTNJXLJAREI-UHFFFAOYSA-N 0 0 230.402 3.771 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000461789897 361910711 /nfs/dbraw/zinc/91/07/11/361910711.db2.gz FYQKRMFPHZVMDC-ZYHUDNBSSA-N 0 0 246.285 3.779 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000461792264 361911587 /nfs/dbraw/zinc/91/15/87/361911587.db2.gz YYDNACAMDANCRC-CHWSQXEVSA-N 0 0 242.322 3.564 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC000461792647 398006339 /nfs/dbraw/zinc/00/63/39/398006339.db2.gz XPLGXAZFIXNAFZ-BXKDBHETSA-N 0 0 246.285 3.779 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2ccsc2)no1 ZINC000461792876 361911088 /nfs/dbraw/zinc/91/10/88/361911088.db2.gz ALMPJFPILQAJSL-PSASIEDQSA-N 0 0 234.324 3.702 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2cccs2)no1 ZINC000461792970 219908090 /nfs/dbraw/zinc/90/80/90/219908090.db2.gz BMUFNFCYJRXSJC-RKDXNWHRSA-N 0 0 234.324 3.702 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2ccccc2C)no1 ZINC000461795175 259505135 /nfs/dbraw/zinc/50/51/35/259505135.db2.gz LEQVXTJZYYGIDQ-DGCLKSJQSA-N 0 0 242.322 3.949 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2ccccc2)no1 ZINC000461798253 259505233 /nfs/dbraw/zinc/50/52/33/259505233.db2.gz ANYFXHLYVLFZNU-VXGBXAGGSA-N 0 0 228.295 3.640 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(Cc2cccs2)no1 ZINC000461801306 259505190 /nfs/dbraw/zinc/50/51/90/259505190.db2.gz WULFPBBTBCLJAQ-MWLCHTKSSA-N 0 0 248.351 3.626 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000461801795 388262051 /nfs/dbraw/zinc/26/20/51/388262051.db2.gz HFLGNNXERYTBHY-UKRRQHHQSA-N 0 0 243.350 3.550 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(CCC(C)C)no1 ZINC000461802844 388262021 /nfs/dbraw/zinc/26/20/21/388262021.db2.gz VLHKBYBVRFCZAK-GHMZBOCLSA-N 0 0 222.332 3.562 20 0 BHADRN CCC1(C)CN(c2nc3ccccc3s2)C1 ZINC000461862499 259505239 /nfs/dbraw/zinc/50/52/39/259505239.db2.gz AJIRQXLJLJSZDK-UHFFFAOYSA-N 0 0 232.352 3.533 20 0 BHADRN Cc1ccnc(Nc2cccc(C3CCC3)c2)n1 ZINC000461863172 388262036 /nfs/dbraw/zinc/26/20/36/388262036.db2.gz DHXLOUMQJSURGN-UHFFFAOYSA-N 0 0 239.322 3.796 20 0 BHADRN Cc1cc(Nc2cccc(C3CCC3)c2)ncn1 ZINC000461863466 259505237 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CCC[C@@H]1C[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000462299561 388265913 /nfs/dbraw/zinc/26/59/13/388265913.db2.gz QSSSEFLQSVTKMG-BXKDBHETSA-N 0 0 237.730 3.715 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1cc(C)ccc1C ZINC000462300783 388265352 /nfs/dbraw/zinc/26/53/52/388265352.db2.gz UBXJRIWRDYJZOP-CHWSQXEVSA-N 0 0 231.339 3.678 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N1CCCC2(CCCC2)C1 ZINC000462311213 527841760 /nfs/dbraw/zinc/84/17/60/527841760.db2.gz FRXPENSDVGABFE-ZIAGYGMSSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000462320153 388265299 /nfs/dbraw/zinc/26/52/99/388265299.db2.gz WVUZMDKMMCCJIB-DGCLKSJQSA-N 0 0 242.322 3.543 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1ccsc1Cl ZINC000462324643 388266153 /nfs/dbraw/zinc/26/61/53/388266153.db2.gz YQKNQKMGTHGVCI-HTQZYQBOSA-N 0 0 243.759 3.776 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1ccc2ccoc2c1 ZINC000462326204 388266361 /nfs/dbraw/zinc/26/63/61/388266361.db2.gz RQBNVAWCTUGFDC-DGCLKSJQSA-N 0 0 243.306 3.808 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000462327382 388265591 /nfs/dbraw/zinc/26/55/91/388265591.db2.gz VYHUMUFCMPVRRL-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000462327383 388265293 /nfs/dbraw/zinc/26/52/93/388265293.db2.gz VYHUMUFCMPVRRL-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000462342654 527847192 /nfs/dbraw/zinc/84/71/92/527847192.db2.gz PHYRRPRIYHJCJB-AAVRWANBSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000462342655 527848384 /nfs/dbraw/zinc/84/83/84/527848384.db2.gz PHYRRPRIYHJCJB-REWJHTLYSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000462342656 388266436 /nfs/dbraw/zinc/26/64/36/388266436.db2.gz PHYRRPRIYHJCJB-RFQIPJPRSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000462342657 388266442 /nfs/dbraw/zinc/26/64/42/388266442.db2.gz PHYRRPRIYHJCJB-YIYPIFLZSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H](C)N(C)c1ccc2ccc(F)cc2n1 ZINC000462368852 388267588 /nfs/dbraw/zinc/26/75/88/388267588.db2.gz HHDRIWZZYIVIFP-LLVKDONJSA-N 0 0 246.329 3.999 20 0 BHADRN CCC[C@H](C)N(C)c1ccc2ccc(F)cc2n1 ZINC000462368853 528049158 /nfs/dbraw/zinc/04/91/58/528049158.db2.gz HHDRIWZZYIVIFP-NSHDSACASA-N 0 0 246.329 3.999 20 0 BHADRN CC(C)[C@H]1CCCN1c1ccnc2ccsc21 ZINC000462368904 388267275 /nfs/dbraw/zinc/26/72/75/388267275.db2.gz IHZKSHXGCNNFRF-GFCCVEGCSA-N 0 0 246.379 3.921 20 0 BHADRN CC(C)[C@@H]1CCCN1c1ccnc2ccsc21 ZINC000462368905 388267186 /nfs/dbraw/zinc/26/71/86/388267186.db2.gz IHZKSHXGCNNFRF-LBPRGKRZSA-N 0 0 246.379 3.921 20 0 BHADRN C=Cc1ccc(CCNC(=O)CCCCC)cc1 ZINC000462371851 388267391 /nfs/dbraw/zinc/26/73/91/388267391.db2.gz WFRPDIFEBQBNBG-UHFFFAOYSA-N 0 0 245.366 3.569 20 0 BHADRN CCC[C@H](C)N(C)c1ccnc2ccsc21 ZINC000462373296 388267208 /nfs/dbraw/zinc/26/72/08/388267208.db2.gz VNXFBXVQEQVTGQ-JTQLQIEISA-N 0 0 234.368 3.921 20 0 BHADRN CCC[C@@H](C)N(C)c1ccnc2ccsc21 ZINC000462373297 388267535 /nfs/dbraw/zinc/26/75/35/388267535.db2.gz VNXFBXVQEQVTGQ-SNVBAGLBSA-N 0 0 234.368 3.921 20 0 BHADRN CCCC(=O)Nc1cccc(C2CCC2)c1 ZINC000462374049 388267457 /nfs/dbraw/zinc/26/74/57/388267457.db2.gz TZICPFXXJIFRRB-UHFFFAOYSA-N 0 0 217.312 3.693 20 0 BHADRN CN(CC1CCCCC1)c1nccc2occc21 ZINC000462382995 529865121 /nfs/dbraw/zinc/86/51/21/529865121.db2.gz GDXGBEYUMKDFCF-UHFFFAOYSA-N 0 0 244.338 3.844 20 0 BHADRN O=C(CCCC1CCCCC1)NCCCCF ZINC000462383574 388267326 /nfs/dbraw/zinc/26/73/26/388267326.db2.gz KDLGDPLJYSTZJW-UHFFFAOYSA-N 0 0 243.366 3.603 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000462383983 528454188 /nfs/dbraw/zinc/45/41/88/528454188.db2.gz KHERFBXXEPVJNY-KBPBESRZSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000462383984 388267479 /nfs/dbraw/zinc/26/74/79/388267479.db2.gz KHERFBXXEPVJNY-KGLIPLIRSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000462383985 388267402 /nfs/dbraw/zinc/26/74/02/388267402.db2.gz KHERFBXXEPVJNY-UONOGXRCSA-N 0 0 247.382 3.589 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000462383986 388267499 /nfs/dbraw/zinc/26/74/99/388267499.db2.gz KHERFBXXEPVJNY-ZIAGYGMSSA-N 0 0 247.382 3.589 20 0 BHADRN CCOc1ccc(NC(=O)[C@H](C)CC(C)C)cc1 ZINC000462384010 388267443 /nfs/dbraw/zinc/26/74/43/388267443.db2.gz KMOJYBLKPOYOHT-GFCCVEGCSA-N 0 0 249.354 3.706 20 0 BHADRN CCOc1ccc(NC(=O)[C@@H](C)CC(C)C)cc1 ZINC000462384011 388267472 /nfs/dbraw/zinc/26/74/72/388267472.db2.gz KMOJYBLKPOYOHT-LBPRGKRZSA-N 0 0 249.354 3.706 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)CC(C)C)cc1C ZINC000462384837 388267505 /nfs/dbraw/zinc/26/75/05/388267505.db2.gz QUYDTNSIRKKJFD-CYBMUJFWSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)CC(C)C)cc1C ZINC000462384843 388267134 /nfs/dbraw/zinc/26/71/34/388267134.db2.gz QUYDTNSIRKKJFD-ZDUSSCGKSA-N 0 0 233.355 3.924 20 0 BHADRN C[C@@H]1C[C@@H]1CC(=O)Nc1cccc(C2CCC2)c1 ZINC000462385409 388267469 /nfs/dbraw/zinc/26/74/69/388267469.db2.gz WTMKNBRTNPTIAB-BXUZGUMPSA-N 0 0 243.350 3.939 20 0 BHADRN C[C@H]1C[C@H]1CC(=O)Nc1cccc(C2CCC2)c1 ZINC000462385410 224936563 /nfs/dbraw/zinc/93/65/63/224936563.db2.gz WTMKNBRTNPTIAB-FZMZJTMJSA-N 0 0 243.350 3.939 20 0 BHADRN C[C@@H]1C[C@H]1CC(=O)Nc1cccc(C2CCC2)c1 ZINC000462385411 534017204 /nfs/dbraw/zinc/01/72/04/534017204.db2.gz WTMKNBRTNPTIAB-RISCZKNCSA-N 0 0 243.350 3.939 20 0 BHADRN C[C@H]1C[C@@H]1CC(=O)Nc1cccc(C2CCC2)c1 ZINC000462385412 388267442 /nfs/dbraw/zinc/26/74/42/388267442.db2.gz WTMKNBRTNPTIAB-SMDDNHRTSA-N 0 0 243.350 3.939 20 0 BHADRN CC(C)CC(=O)Nc1cccc(C2CCC2)c1 ZINC000462386961 388267507 /nfs/dbraw/zinc/26/75/07/388267507.db2.gz HMGMBBHMIMQYQS-UHFFFAOYSA-N 0 0 231.339 3.939 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000462391212 487862450 /nfs/dbraw/zinc/86/24/50/487862450.db2.gz RIZZTFZDJBRNTP-JTQLQIEISA-N 0 0 239.746 3.961 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000462391216 487862289 /nfs/dbraw/zinc/86/22/89/487862289.db2.gz RIZZTFZDJBRNTP-SNVBAGLBSA-N 0 0 239.746 3.961 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000462391887 487862722 /nfs/dbraw/zinc/86/27/22/487862722.db2.gz JNFIFPHDABAWSV-GFCCVEGCSA-N 0 0 245.366 3.796 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000462391888 388267906 /nfs/dbraw/zinc/26/79/06/388267906.db2.gz JNFIFPHDABAWSV-LBPRGKRZSA-N 0 0 245.366 3.796 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000462392571 388267924 /nfs/dbraw/zinc/26/79/24/388267924.db2.gz VLUPJIDZWPILEW-JTQLQIEISA-N 0 0 239.746 3.961 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000462392572 388267861 /nfs/dbraw/zinc/26/78/61/388267861.db2.gz VLUPJIDZWPILEW-SNVBAGLBSA-N 0 0 239.746 3.961 20 0 BHADRN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000462395142 361951528 /nfs/dbraw/zinc/95/15/28/361951528.db2.gz GZKFIWCTWYBRJN-KBPBESRZSA-N 0 0 247.382 3.854 20 0 BHADRN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)CC(C)C ZINC000462395143 361951981 /nfs/dbraw/zinc/95/19/81/361951981.db2.gz GZKFIWCTWYBRJN-KGLIPLIRSA-N 0 0 247.382 3.854 20 0 BHADRN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000462395144 388267510 /nfs/dbraw/zinc/26/75/10/388267510.db2.gz GZKFIWCTWYBRJN-UONOGXRCSA-N 0 0 247.382 3.854 20 0 BHADRN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)CC(C)C ZINC000462395145 388267586 /nfs/dbraw/zinc/26/75/86/388267586.db2.gz GZKFIWCTWYBRJN-ZIAGYGMSSA-N 0 0 247.382 3.854 20 0 BHADRN CC(C)(O)CCSCCCc1ccccc1 ZINC000462397236 527329961 /nfs/dbraw/zinc/32/99/61/527329961.db2.gz PVDNNBCNARTARL-UHFFFAOYSA-N 0 0 238.396 3.513 20 0 BHADRN CCc1cccc(NC(=O)[C@H](C)CC(C)C)c1 ZINC000462397381 529541790 /nfs/dbraw/zinc/54/17/90/529541790.db2.gz MURBDJMNJRUGRL-GFCCVEGCSA-N 0 0 233.355 3.870 20 0 BHADRN CCc1cccc(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000462397382 529541690 /nfs/dbraw/zinc/54/16/90/529541690.db2.gz MURBDJMNJRUGRL-LBPRGKRZSA-N 0 0 233.355 3.870 20 0 BHADRN Cc1ccc(CSCCC(C)(C)O)cc1C ZINC000462399086 229174657 /nfs/dbraw/zinc/17/46/57/229174657.db2.gz BPGCRLHWJUUDCI-UHFFFAOYSA-N 0 0 238.396 3.698 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@H](C)CC(C)C)c1 ZINC000462400166 534080216 /nfs/dbraw/zinc/08/02/16/534080216.db2.gz DRPDKPTXSNOVAS-CYBMUJFWSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000462400167 229174283 /nfs/dbraw/zinc/17/42/83/229174283.db2.gz DRPDKPTXSNOVAS-ZDUSSCGKSA-N 0 0 233.355 3.924 20 0 BHADRN O=C(Nc1cccc(C2CCC2)c1)C1CC=CC1 ZINC000462400199 534338971 /nfs/dbraw/zinc/33/89/71/534338971.db2.gz DUHVPFPPVNGCDA-UHFFFAOYSA-N 0 0 241.334 3.859 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000462402782 528246903 /nfs/dbraw/zinc/24/69/03/528246903.db2.gz WFODCVGFRVUVBU-SECBINFHSA-N 0 0 241.281 3.586 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000462402797 528456043 /nfs/dbraw/zinc/45/60/43/528456043.db2.gz WFODCVGFRVUVBU-VIFPVBQESA-N 0 0 241.281 3.586 20 0 BHADRN CC(C)(O)CCSCc1cccc(Cl)c1 ZINC000462403927 527330061 /nfs/dbraw/zinc/33/00/61/527330061.db2.gz UOEVDFUZJXTLDK-UHFFFAOYSA-N 0 0 244.787 3.734 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000462405316 528245319 /nfs/dbraw/zinc/24/53/19/528245319.db2.gz BUIOSTBQFACSBC-CHWSQXEVSA-N 0 0 245.366 3.646 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000462405317 528244873 /nfs/dbraw/zinc/24/48/73/528244873.db2.gz BUIOSTBQFACSBC-OLZOCXBDSA-N 0 0 245.366 3.646 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000462405318 528453043 /nfs/dbraw/zinc/45/30/43/528453043.db2.gz BUIOSTBQFACSBC-QWHCGFSZSA-N 0 0 245.366 3.646 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000462405319 528453216 /nfs/dbraw/zinc/45/32/16/528453216.db2.gz BUIOSTBQFACSBC-STQMWFEESA-N 0 0 245.366 3.646 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000462406117 528242572 /nfs/dbraw/zinc/24/25/72/528242572.db2.gz HESMTCDEAFXZFL-CYBMUJFWSA-N 0 0 245.366 3.648 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000462406118 528453627 /nfs/dbraw/zinc/45/36/27/528453627.db2.gz HESMTCDEAFXZFL-ZDUSSCGKSA-N 0 0 245.366 3.648 20 0 BHADRN O=C(N[C@H]1CCCCC12CCCC2)C1CCCC1 ZINC000462407863 323075520 /nfs/dbraw/zinc/07/55/20/323075520.db2.gz FJVMOVCMTRBQOV-AWEZNQCLSA-N 0 0 249.398 3.796 20 0 BHADRN O=C(N[C@@H]1CCCCC12CCCC2)C1CCCC1 ZINC000462407864 323075556 /nfs/dbraw/zinc/07/55/56/323075556.db2.gz FJVMOVCMTRBQOV-CQSZACIVSA-N 0 0 249.398 3.796 20 0 BHADRN CCc1ccc(NC(=O)[C@H](C)CC(C)C)cc1 ZINC000462408918 529685766 /nfs/dbraw/zinc/68/57/66/529685766.db2.gz OZCPKDGZBFCFMO-GFCCVEGCSA-N 0 0 233.355 3.870 20 0 BHADRN CCc1ccc(NC(=O)[C@@H](C)CC(C)C)cc1 ZINC000462408920 529684587 /nfs/dbraw/zinc/68/45/87/529684587.db2.gz OZCPKDGZBFCFMO-LBPRGKRZSA-N 0 0 233.355 3.870 20 0 BHADRN CC1(C)C[C@@H]1C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000462409821 529143160 /nfs/dbraw/zinc/14/31/60/529143160.db2.gz SRRBJJAREWCICI-CHWSQXEVSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)C[C@@H]1C(=O)N[C@H]1CCCCC12CCCC2 ZINC000462409822 529143310 /nfs/dbraw/zinc/14/33/10/529143310.db2.gz SRRBJJAREWCICI-OLZOCXBDSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC(CCC)SCCC(C)(C)O ZINC000462411306 528001974 /nfs/dbraw/zinc/00/19/74/528001974.db2.gz QXCVCNFCANQAFB-UHFFFAOYSA-N 0 0 218.406 3.849 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)[C@H](C)CC(C)C ZINC000462413652 527803023 /nfs/dbraw/zinc/80/30/23/527803023.db2.gz JSNXXJIMVLQLRN-CHWSQXEVSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@H](C)CC(C)C ZINC000462413653 527842074 /nfs/dbraw/zinc/84/20/74/527842074.db2.gz JSNXXJIMVLQLRN-OLZOCXBDSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000462413654 527803559 /nfs/dbraw/zinc/80/35/59/527803559.db2.gz JSNXXJIMVLQLRN-QWHCGFSZSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000462413655 527841887 /nfs/dbraw/zinc/84/18/87/527841887.db2.gz JSNXXJIMVLQLRN-STQMWFEESA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)(O)CCSc1ccc(F)c(Cl)c1 ZINC000462414446 527330376 /nfs/dbraw/zinc/33/03/76/527330376.db2.gz XERCRPSZPVUJBM-UHFFFAOYSA-N 0 0 248.750 3.732 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)CC(C)C)cc1F ZINC000462414930 229174238 /nfs/dbraw/zinc/17/42/38/229174238.db2.gz ZISQMFWGKIQKQK-LLVKDONJSA-N 0 0 237.318 3.755 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)CC(C)C)cc1F ZINC000462414931 229174669 /nfs/dbraw/zinc/17/46/69/229174669.db2.gz ZISQMFWGKIQKQK-NSHDSACASA-N 0 0 237.318 3.755 20 0 BHADRN CC(C)CC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000462414963 527666419 /nfs/dbraw/zinc/66/64/19/527666419.db2.gz ZPMRXTXUABYRKZ-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)CC(=O)N[C@H]1CCCCC12CCCC2 ZINC000462414964 527669259 /nfs/dbraw/zinc/66/92/59/527669259.db2.gz ZPMRXTXUABYRKZ-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN CCN(C(=O)[C@H](C)CC(C)C)C1CCCCC1 ZINC000462415012 219863493 /nfs/dbraw/zinc/86/34/93/219863493.db2.gz FULLLGZCMKOSOL-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CCN(C(=O)[C@@H](C)CC(C)C)C1CCCCC1 ZINC000462415013 219863504 /nfs/dbraw/zinc/86/35/04/219863504.db2.gz FULLLGZCMKOSOL-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000462415901 528244550 /nfs/dbraw/zinc/24/45/50/528244550.db2.gz IFNNVXBTZGWGBT-CHWSQXEVSA-N 0 0 245.366 3.819 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1C[C@H](C)c2ccccc21 ZINC000462415902 528245039 /nfs/dbraw/zinc/24/50/39/528245039.db2.gz IFNNVXBTZGWGBT-OLZOCXBDSA-N 0 0 245.366 3.819 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000462415903 528452894 /nfs/dbraw/zinc/45/28/94/528452894.db2.gz IFNNVXBTZGWGBT-QWHCGFSZSA-N 0 0 245.366 3.819 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1C[C@H](C)c2ccccc21 ZINC000462415905 528453243 /nfs/dbraw/zinc/45/32/43/528453243.db2.gz IFNNVXBTZGWGBT-STQMWFEESA-N 0 0 245.366 3.819 20 0 BHADRN Cc1cccc2c1N(C(=O)[C@H](C)CC(C)C)CC2 ZINC000462419029 229174255 /nfs/dbraw/zinc/17/42/55/229174255.db2.gz ALRYWUXQOPKYGK-CYBMUJFWSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1cccc2c1N(C(=O)[C@@H](C)CC(C)C)CC2 ZINC000462419030 229174468 /nfs/dbraw/zinc/17/44/68/229174468.db2.gz ALRYWUXQOPKYGK-ZDUSSCGKSA-N 0 0 245.366 3.566 20 0 BHADRN O=C(CC1CCC1)N[C@H]1CCCCC12CCCC2 ZINC000462419445 229174452 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CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000462439448 528454099 /nfs/dbraw/zinc/45/40/99/528454099.db2.gz GBZYEFGENGXXOI-XJFOESAGSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000462439449 491081824 /nfs/dbraw/zinc/08/18/24/491081824.db2.gz GBZYEFGENGXXOI-ZOBORPQBSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000462439515 491081877 /nfs/dbraw/zinc/08/18/77/491081877.db2.gz GRSYCOFFMXDNGD-HZSPNIEDSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000462439516 491081879 /nfs/dbraw/zinc/08/18/79/491081879.db2.gz GRSYCOFFMXDNGD-IHRRRGAJSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000462439517 491081835 /nfs/dbraw/zinc/08/18/35/491081835.db2.gz GRSYCOFFMXDNGD-MELADBBJSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000462439518 491081862 /nfs/dbraw/zinc/08/18/62/491081862.db2.gz GRSYCOFFMXDNGD-RDBSUJKOSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(CC(C)C)CC(C)C ZINC000462444038 491081831 /nfs/dbraw/zinc/08/18/31/491081831.db2.gz ISAIXLVABOTISA-AWEZNQCLSA-N 0 0 241.419 3.809 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N(CC(C)C)CC(C)C ZINC000462444039 491081886 /nfs/dbraw/zinc/08/18/86/491081886.db2.gz ISAIXLVABOTISA-CQSZACIVSA-N 0 0 241.419 3.809 20 0 BHADRN CCC1CCC(NC(=O)[C@@H](C)CC(C)C)CC1 ZINC000462444776 491081846 /nfs/dbraw/zinc/08/18/46/491081846.db2.gz LUWIZVGETAVCQR-HSBZDZAISA-N 0 0 239.403 3.754 20 0 BHADRN CCC1CCC(NC(=O)[C@H](C)CC(C)C)CC1 ZINC000462444777 491081827 /nfs/dbraw/zinc/08/18/27/491081827.db2.gz LUWIZVGETAVCQR-IYXRBSQSSA-N 0 0 239.403 3.754 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)[C@@H](C)CC(C)C)c1 ZINC000462445783 491081885 /nfs/dbraw/zinc/08/18/85/491081885.db2.gz OFJXISGXGRQBGT-AWEZNQCLSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)[C@H](C)CC(C)C)c1 ZINC000462445784 491081839 /nfs/dbraw/zinc/08/18/39/491081839.db2.gz OFJXISGXGRQBGT-CQSZACIVSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1ccc(CNC(=O)[C@@H](C)CC(C)C)c(C)c1 ZINC000462446697 491081859 /nfs/dbraw/zinc/08/18/59/491081859.db2.gz RQUCDYSBYBLGBT-AWEZNQCLSA-N 0 0 247.382 3.602 20 0 BHADRN Cc1ccc(CNC(=O)[C@H](C)CC(C)C)c(C)c1 ZINC000462446698 534040262 /nfs/dbraw/zinc/04/02/62/534040262.db2.gz RQUCDYSBYBLGBT-CQSZACIVSA-N 0 0 247.382 3.602 20 0 BHADRN CC(C)CCN(C(=O)[C@H](C)CC(C)C)C1CC1 ZINC000462447159 566437148 /nfs/dbraw/zinc/43/71/48/566437148.db2.gz UVFBTSHCHRUVJZ-CYBMUJFWSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CCN(C(=O)[C@@H](C)CC(C)C)C1CC1 ZINC000462447160 566437262 /nfs/dbraw/zinc/43/72/62/566437262.db2.gz UVFBTSHCHRUVJZ-ZDUSSCGKSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)NC(C1CCC1)C1CCC1 ZINC000462462257 527846609 /nfs/dbraw/zinc/84/66/09/527846609.db2.gz GPLMJIKOAYTVCM-ZIAGYGMSSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NC(C)(C)c1ccccc1 ZINC000462482960 388268305 /nfs/dbraw/zinc/26/83/05/388268305.db2.gz IZOGYRSMPBGZTH-CYBMUJFWSA-N 0 0 247.382 3.720 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC(C)(C)c1ccccc1 ZINC000462482961 388268519 /nfs/dbraw/zinc/26/85/19/388268519.db2.gz IZOGYRSMPBGZTH-ZDUSSCGKSA-N 0 0 247.382 3.720 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NC1(C)CCC(C)CC1 ZINC000462484217 388268125 /nfs/dbraw/zinc/26/81/25/388268125.db2.gz QDZPSTPDHLYIDL-JVWICGRDSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC1(C)CCC(C)CC1 ZINC000462484218 388268201 /nfs/dbraw/zinc/26/82/01/388268201.db2.gz QDZPSTPDHLYIDL-OWYJLGKBSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000462484957 388268609 /nfs/dbraw/zinc/26/86/09/388268609.db2.gz LSSRWLOQEVPAFT-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CCC[C@H]1C(C)(C)C ZINC000462484958 528243070 /nfs/dbraw/zinc/24/30/70/528243070.db2.gz LSSRWLOQEVPAFT-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000462484960 388268708 /nfs/dbraw/zinc/26/87/08/388268708.db2.gz LSSRWLOQEVPAFT-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CCC[C@H]1C(C)(C)C ZINC000462484962 528452944 /nfs/dbraw/zinc/45/29/44/528452944.db2.gz LSSRWLOQEVPAFT-STQMWFEESA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000462490422 388268680 /nfs/dbraw/zinc/26/86/80/388268680.db2.gz GORGAMCYRUZJAE-HZSPNIEDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000462490424 388268530 /nfs/dbraw/zinc/26/85/30/388268530.db2.gz GORGAMCYRUZJAE-IHRRRGAJSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000462490426 528454041 /nfs/dbraw/zinc/45/40/41/528454041.db2.gz GORGAMCYRUZJAE-MELADBBJSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000462490428 487863817 /nfs/dbraw/zinc/86/38/17/487863817.db2.gz GORGAMCYRUZJAE-RDBSUJKOSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@H](NC(=O)[C@H](C)CC(C)C)C(C)(C)C ZINC000462499781 384723994 /nfs/dbraw/zinc/72/39/94/384723994.db2.gz JTSCCKFOOWRARH-NEPJUHHUSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@@H](NC(=O)[C@@H](C)CC(C)C)C(C)(C)C ZINC000462499788 384722938 /nfs/dbraw/zinc/72/29/38/384722938.db2.gz JTSCCKFOOWRARH-NWDGAFQWSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](NC(=O)[C@@H](C)CC(C)C)C(C)(C)C ZINC000462499790 529536000 /nfs/dbraw/zinc/53/60/00/529536000.db2.gz JTSCCKFOOWRARH-RYUDHWBXSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@@H](NC(=O)[C@H](C)CC(C)C)C(C)(C)C ZINC000462499791 529657285 /nfs/dbraw/zinc/65/72/85/529657285.db2.gz JTSCCKFOOWRARH-VXGBXAGGSA-N 0 0 227.392 3.610 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)NCCC1=CCCCCC1 ZINC000462500323 527845669 /nfs/dbraw/zinc/84/56/69/527845669.db2.gz KYJXZRDTTBSKIH-HUUCEWRRSA-N 0 0 249.398 3.819 20 0 BHADRN Cc1cc(NC(=O)[C@H](C)CC(C)C)ccc1F ZINC000462500368 487863657 /nfs/dbraw/zinc/86/36/57/487863657.db2.gz IDZVUWBARUPZPF-LLVKDONJSA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cc(NC(=O)[C@@H](C)CC(C)C)ccc1F ZINC000462500369 487863456 /nfs/dbraw/zinc/86/34/56/487863456.db2.gz IDZVUWBARUPZPF-NSHDSACASA-N 0 0 237.318 3.755 20 0 BHADRN CC(C)C[C@H](C)C(=O)NCC1CCC(C)CC1 ZINC000462501681 528452910 /nfs/dbraw/zinc/45/29/10/528452910.db2.gz LFGNBMXSLIKSNV-MOKVOYLWSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NCC1CCC(C)CC1 ZINC000462501682 388268762 /nfs/dbraw/zinc/26/87/62/388268762.db2.gz LFGNBMXSLIKSNV-ROKHWSDSSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000462507575 388268382 /nfs/dbraw/zinc/26/83/82/388268382.db2.gz YGGDYKRKMQHPER-HZSPNIEDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000462507576 388268469 /nfs/dbraw/zinc/26/84/69/388268469.db2.gz YGGDYKRKMQHPER-IHRRRGAJSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000462507577 388268189 /nfs/dbraw/zinc/26/81/89/388268189.db2.gz YGGDYKRKMQHPER-MELADBBJSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000462507578 388268356 /nfs/dbraw/zinc/26/83/56/388268356.db2.gz YGGDYKRKMQHPER-RDBSUJKOSA-N 0 0 239.403 3.611 20 0 BHADRN 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/nfs/dbraw/zinc/01/14/75/398011475.db2.gz HOQYOZWOXGUCED-GFCCVEGCSA-N 0 0 234.339 3.615 20 0 BHADRN CC[C@H](C)c1ccc(OCC2(C)COC2)cc1 ZINC000462554911 398011499 /nfs/dbraw/zinc/01/14/99/398011499.db2.gz HOQYOZWOXGUCED-LBPRGKRZSA-N 0 0 234.339 3.615 20 0 BHADRN CSCCCOc1ccc(Cl)c(C)c1 ZINC000462555442 533573820 /nfs/dbraw/zinc/57/38/20/533573820.db2.gz DHIRMHFYEGMVQP-UHFFFAOYSA-N 0 0 230.760 3.780 20 0 BHADRN CCCCCc1ccc(OCC2(C)COC2)cc1 ZINC000462556135 398011459 /nfs/dbraw/zinc/01/14/59/398011459.db2.gz FGIKZCOYSBEFRE-UHFFFAOYSA-N 0 0 248.366 3.835 20 0 BHADRN CCc1cccc(OCc2sc(C)nc2C)c1 ZINC000462556982 398011493 /nfs/dbraw/zinc/01/14/93/398011493.db2.gz VFLJLUOAQRXLQI-UHFFFAOYSA-N 0 0 247.363 3.901 20 0 BHADRN Cc1nc(C)c(COc2ccc(C)cc2C)s1 ZINC000462557021 398011504 /nfs/dbraw/zinc/01/15/04/398011504.db2.gz VTBOVYJFOMVCOP-UHFFFAOYSA-N 0 0 247.363 3.956 20 0 BHADRN CSCCCOc1cccc(C(C)C)c1 ZINC000462557049 398011471 /nfs/dbraw/zinc/01/14/71/398011471.db2.gz VXIWVBITXRIFSC-UHFFFAOYSA-N 0 0 224.369 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PRGBEEUJHIFDEA-LRDDRELGSA-N 0 0 245.366 3.616 20 0 BHADRN CCCC(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000462575807 385072203 /nfs/dbraw/zinc/07/22/03/385072203.db2.gz PRGBEEUJHIFDEA-MLGOLLRUSA-N 0 0 245.366 3.616 20 0 BHADRN CCCC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000462575809 385074297 /nfs/dbraw/zinc/07/42/97/385074297.db2.gz PRGBEEUJHIFDEA-WBMJQRKESA-N 0 0 245.366 3.616 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CCC ZINC000462590084 527842958 /nfs/dbraw/zinc/84/29/58/527842958.db2.gz IMDZSBCDJQAOMD-HZSPNIEDSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CCC ZINC000462590086 388269604 /nfs/dbraw/zinc/26/96/04/388269604.db2.gz IMDZSBCDJQAOMD-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@H](C)CC(C)C ZINC000462601496 528635539 /nfs/dbraw/zinc/63/55/39/528635539.db2.gz IHLXVNOXIGBHSV-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@@H](C)CC(C)C ZINC000462601497 388269708 /nfs/dbraw/zinc/26/97/08/388269708.db2.gz IHLXVNOXIGBHSV-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN Cc1cc(F)cc(NC(=O)[C@H](C)CC(C)C)c1 ZINC000462607129 388269229 /nfs/dbraw/zinc/26/92/29/388269229.db2.gz ZXOVFWDMWKXCDE-LLVKDONJSA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cc(F)cc(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000462607130 533834442 /nfs/dbraw/zinc/83/44/42/533834442.db2.gz ZXOVFWDMWKXCDE-NSHDSACASA-N 0 0 237.318 3.755 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000462608637 528454064 /nfs/dbraw/zinc/45/40/64/528454064.db2.gz ZIVVACFCOKCNQH-RFQIPJPRSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000462608638 528454582 /nfs/dbraw/zinc/45/45/82/528454582.db2.gz ZIVVACFCOKCNQH-XDQVBPFNSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000462608639 388269410 /nfs/dbraw/zinc/26/94/10/388269410.db2.gz ZIVVACFCOKCNQH-YIYPIFLZSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000462608640 388269640 /nfs/dbraw/zinc/26/96/40/388269640.db2.gz ZIVVACFCOKCNQH-ZOBORPQBSA-N 0 0 239.403 3.610 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC000462610123 385286989 /nfs/dbraw/zinc/28/69/89/385286989.db2.gz DXPLSCWEDJQNLZ-BFHYXJOUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC000462610125 219865856 /nfs/dbraw/zinc/86/58/56/219865856.db2.gz DXPLSCWEDJQNLZ-MCIONIFRSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC000462610128 385286315 /nfs/dbraw/zinc/28/63/15/385286315.db2.gz DXPLSCWEDJQNLZ-MGPQQGTHSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC000462610129 385285756 /nfs/dbraw/zinc/28/57/56/385285756.db2.gz DXPLSCWEDJQNLZ-MJBXVCDLSA-N 0 0 239.403 3.754 20 0 BHADRN CCCC1(CNC(=O)[C@H](C)CC(C)C)CCC1 ZINC000462611021 388269207 /nfs/dbraw/zinc/26/92/07/388269207.db2.gz GQJOOTLBZQSFPA-CYBMUJFWSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC1(CNC(=O)[C@@H](C)CC(C)C)CCC1 ZINC000462611023 388269114 /nfs/dbraw/zinc/26/91/14/388269114.db2.gz GQJOOTLBZQSFPA-ZDUSSCGKSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000462612436 388269567 /nfs/dbraw/zinc/26/95/67/388269567.db2.gz HVWNZRUUAYJZAU-AVGNSLFASA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000462612437 388269354 /nfs/dbraw/zinc/26/93/54/388269354.db2.gz HVWNZRUUAYJZAU-RWMBFGLXSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@H](C)CC(C)C ZINC000462612438 388269223 /nfs/dbraw/zinc/26/92/23/388269223.db2.gz HVWNZRUUAYJZAU-XQQFMLRXSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](C)CC(C)C ZINC000462612439 388269705 /nfs/dbraw/zinc/26/97/05/388269705.db2.gz HVWNZRUUAYJZAU-YNEHKIRRSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000462613371 388269635 /nfs/dbraw/zinc/26/96/35/388269635.db2.gz IBURUWMDAAXWOG-RFQIPJPRSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000462613382 528453975 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388269345 /nfs/dbraw/zinc/26/93/45/388269345.db2.gz KSGXSDRRZRYVFM-STQMWFEESA-N 0 0 227.392 3.563 20 0 BHADRN CCC1(CC)CCN(C(=O)[C@H](C)CC(C)C)C1 ZINC000462617543 388269178 /nfs/dbraw/zinc/26/91/78/388269178.db2.gz KXOLHQNVGJOMKA-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCC1(CC)CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC000462617544 388269371 /nfs/dbraw/zinc/26/93/71/388269371.db2.gz KXOLHQNVGJOMKA-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N[C@H](C)C1CCCCC1 ZINC000462618087 388269213 /nfs/dbraw/zinc/26/92/13/388269213.db2.gz OJKNKAPDDVHMMH-CHWSQXEVSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000462618088 388269181 /nfs/dbraw/zinc/26/91/81/388269181.db2.gz OJKNKAPDDVHMMH-OLZOCXBDSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@H](C)C1CCCCC1 ZINC000462618089 388269188 /nfs/dbraw/zinc/26/91/88/388269188.db2.gz OJKNKAPDDVHMMH-QWHCGFSZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000462618090 528454783 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CC[C@H](C)C(=O)Nc1cccc(C2CCC2)c1 ZINC000462713608 219868152 /nfs/dbraw/zinc/86/81/52/219868152.db2.gz GDMYNHVCEITEFQ-NSHDSACASA-N 0 0 231.339 3.939 20 0 BHADRN C[C@@H](C(=O)Nc1cccc(C2CCC2)c1)C1CC1 ZINC000462721870 388270070 /nfs/dbraw/zinc/27/00/70/388270070.db2.gz VRKAZMPMAVMGAR-LLVKDONJSA-N 0 0 243.350 3.939 20 0 BHADRN C[C@H](C(=O)Nc1cccc(C2CCC2)c1)C1CC1 ZINC000462721871 534297974 /nfs/dbraw/zinc/29/79/74/534297974.db2.gz VRKAZMPMAVMGAR-NSHDSACASA-N 0 0 243.350 3.939 20 0 BHADRN CC(C)(C)C(=O)Nc1cccc(C2CCC2)c1 ZINC000462722927 388270247 /nfs/dbraw/zinc/27/02/47/388270247.db2.gz CFAALAAEDXZAPG-UHFFFAOYSA-N 0 0 231.339 3.939 20 0 BHADRN CCC1(C)CN(C(=O)CC2(C)CCCCC2)C1 ZINC000462731640 529025761 /nfs/dbraw/zinc/02/57/61/529025761.db2.gz PTFLUHVSBUMSPH-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC1(C)CN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC000462731661 529028773 /nfs/dbraw/zinc/02/87/73/529028773.db2.gz QDRXJPLFBWEHLE-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN CCC1(C)CN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC000462731662 388269890 /nfs/dbraw/zinc/26/98/90/388269890.db2.gz QDRXJPLFBWEHLE-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC1(C)CN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000462731870 388270294 /nfs/dbraw/zinc/27/02/94/388270294.db2.gz RQFJJFQKGKWERE-UHFFFAOYSA-N 0 0 245.366 3.682 20 0 BHADRN CCC1(C)CN(C(=O)CCC2CCCCC2)C1 ZINC000462734145 388269944 /nfs/dbraw/zinc/26/99/44/388269944.db2.gz BGSGGZGBNDOLPA-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC1(C)CN(C(=O)CCCC2CCCC2)C1 ZINC000462734518 388270199 /nfs/dbraw/zinc/27/01/99/388270199.db2.gz CRKWEOMSXXHCIG-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC1(C)CN(C(=O)C2(C)CCCCCC2)C1 ZINC000462734836 388270379 /nfs/dbraw/zinc/27/03/79/388270379.db2.gz DXCLEKJQBIBDHV-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N1CC(C)(CC)C1 ZINC000462735160 528771128 /nfs/dbraw/zinc/77/11/28/528771128.db2.gz GDYRZPJXVNJDSI-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1CC(C)(CC)C1 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/nfs/dbraw/zinc/27/10/46/388271046.db2.gz HPRRXDLQJFLKQW-CHWSQXEVSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000462760664 388270741 /nfs/dbraw/zinc/27/07/41/388270741.db2.gz HPRRXDLQJFLKQW-OLZOCXBDSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000462760665 388270839 /nfs/dbraw/zinc/27/08/39/388270839.db2.gz HPRRXDLQJFLKQW-QWHCGFSZSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000462760666 388271080 /nfs/dbraw/zinc/27/10/80/388271080.db2.gz HPRRXDLQJFLKQW-STQMWFEESA-N 0 0 239.403 3.563 20 0 BHADRN CCc1ccc(O)c(NC(=O)[C@H](C)CC(C)C)c1 ZINC000462770787 388270936 /nfs/dbraw/zinc/27/09/36/388270936.db2.gz YXEJVJQFZNNMRQ-LLVKDONJSA-N 0 0 249.354 3.575 20 0 BHADRN CCc1ccc(O)c(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000462770788 388271023 /nfs/dbraw/zinc/27/10/23/388271023.db2.gz YXEJVJQFZNNMRQ-NSHDSACASA-N 0 0 249.354 3.575 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1ncccc1C(C)C ZINC000462778430 388271898 /nfs/dbraw/zinc/27/18/98/388271898.db2.gz ONARUCCOOWTQQN-GFCCVEGCSA-N 0 0 248.370 3.826 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1ncccc1C(C)C ZINC000462778439 388271886 /nfs/dbraw/zinc/27/18/86/388271886.db2.gz ONARUCCOOWTQQN-LBPRGKRZSA-N 0 0 248.370 3.826 20 0 BHADRN CCC1CCN(c2ccnc3ccsc32)CC1 ZINC000462784063 388272068 /nfs/dbraw/zinc/27/20/68/388272068.db2.gz AXOFLEOZXXUWEO-UHFFFAOYSA-N 0 0 246.379 3.923 20 0 BHADRN CN(CC1CCCC1)c1ccnc2ccsc21 ZINC000462796138 388271908 /nfs/dbraw/zinc/27/19/08/388271908.db2.gz JQMISPJGDUIQJK-UHFFFAOYSA-N 0 0 246.379 3.923 20 0 BHADRN CCCC(CCC)Sc1ccnc(C)n1 ZINC000462796141 388271536 /nfs/dbraw/zinc/27/15/36/388271536.db2.gz JSRVZJFLEHULJB-UHFFFAOYSA-N 0 0 224.373 3.846 20 0 BHADRN CC1(C)CCN(c2ccnc3ccsc32)CC1 ZINC000462800615 388271495 /nfs/dbraw/zinc/27/14/95/388271495.db2.gz CTZKCJMYRYZDRU-UHFFFAOYSA-N 0 0 246.379 3.923 20 0 BHADRN CN(CC(C)(C)C)c1ccnc2ccsc21 ZINC000462817010 388271982 /nfs/dbraw/zinc/27/19/82/388271982.db2.gz NERLDFVZKFVOIJ-UHFFFAOYSA-N 0 0 234.368 3.779 20 0 BHADRN CN(CC(C)(C)C)c1ccc2ccc(F)cc2n1 ZINC000462817648 529844209 /nfs/dbraw/zinc/84/42/09/529844209.db2.gz PEELLDBRUFQMFU-UHFFFAOYSA-N 0 0 246.329 3.856 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2cccc(C)c2)no1 ZINC000462825175 388272441 /nfs/dbraw/zinc/27/24/41/388272441.db2.gz IGROSRVFDYNRQJ-DGCLKSJQSA-N 0 0 242.322 3.949 20 0 BHADRN CC(C)CCN1CCn2c(cc3ccccc32)C1 ZINC000462828451 388272987 /nfs/dbraw/zinc/27/29/87/388272987.db2.gz WHJHAXDBAAOXKF-UHFFFAOYSA-N 0 0 242.366 3.503 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(-c2ccccc2F)no1 ZINC000462828707 388272951 /nfs/dbraw/zinc/27/29/51/388272951.db2.gz ZCSCULBXTMWFBC-MWLCHTKSSA-N 0 0 246.285 3.779 20 0 BHADRN CC[C@@H](C)CN1CCn2c(cc3ccccc32)C1 ZINC000462828713 388272790 /nfs/dbraw/zinc/27/27/90/388272790.db2.gz ZGCJBWZEQSTRDJ-CYBMUJFWSA-N 0 0 242.366 3.503 20 0 BHADRN CC[C@H](C)CN1CCn2c(cc3ccccc32)C1 ZINC000462828714 388273037 /nfs/dbraw/zinc/27/30/37/388273037.db2.gz ZGCJBWZEQSTRDJ-ZDUSSCGKSA-N 0 0 242.366 3.503 20 0 BHADRN CC[C@@H](C)CN(C)c1ccc2ccc(F)cc2n1 ZINC000462830241 529314224 /nfs/dbraw/zinc/31/42/24/529314224.db2.gz BIRFAMKVESUPJL-LLVKDONJSA-N 0 0 246.329 3.856 20 0 BHADRN CC[C@H](C)CN(C)c1ccc2ccc(F)cc2n1 ZINC000462830242 388272955 /nfs/dbraw/zinc/27/29/55/388272955.db2.gz BIRFAMKVESUPJL-NSHDSACASA-N 0 0 246.329 3.856 20 0 BHADRN CC[C@H](C)CN(C)c1ccnc2ccsc21 ZINC000462832076 388272507 /nfs/dbraw/zinc/27/25/07/388272507.db2.gz JIWOICPFLOYHMZ-JTQLQIEISA-N 0 0 234.368 3.779 20 0 BHADRN CC[C@@H](C)CN(C)c1ccnc2ccsc21 ZINC000462832077 388272559 /nfs/dbraw/zinc/27/25/59/388272559.db2.gz JIWOICPFLOYHMZ-SNVBAGLBSA-N 0 0 234.368 3.779 20 0 BHADRN CN(CC1CCC1)c1ccc2ccc(F)cc2n1 ZINC000462838224 346921152 /nfs/dbraw/zinc/92/11/52/346921152.db2.gz JKURZIPSSHTUNU-UHFFFAOYSA-N 0 0 244.313 3.610 20 0 BHADRN CC1(C)CCCN(c2ccnc3ccsc32)C1 ZINC000462838668 388272699 /nfs/dbraw/zinc/27/26/99/388272699.db2.gz YKBYBGMMJYPZDP-UHFFFAOYSA-N 0 0 246.379 3.923 20 0 BHADRN Cc1ccc2oc(N3CCC[C@@H](C)[C@@H]3C)nc2c1 ZINC000462850291 388272762 /nfs/dbraw/zinc/27/27/62/388272762.db2.gz IDPWNCAKFAKEHP-NEPJUHHUSA-N 0 0 244.338 3.761 20 0 BHADRN Cc1ccc2oc(N3CCC[C@H](C)[C@H]3C)nc2c1 ZINC000462850292 388272872 /nfs/dbraw/zinc/27/28/72/388272872.db2.gz IDPWNCAKFAKEHP-NWDGAFQWSA-N 0 0 244.338 3.761 20 0 BHADRN Cc1ccc2oc(N3CCC[C@H](C)[C@@H]3C)nc2c1 ZINC000462850293 388272630 /nfs/dbraw/zinc/27/26/30/388272630.db2.gz IDPWNCAKFAKEHP-RYUDHWBXSA-N 0 0 244.338 3.761 20 0 BHADRN Cc1ccc2oc(N3CCC[C@@H](C)[C@H]3C)nc2c1 ZINC000462850294 388272834 /nfs/dbraw/zinc/27/28/34/388272834.db2.gz IDPWNCAKFAKEHP-VXGBXAGGSA-N 0 0 244.338 3.761 20 0 BHADRN CC(C)CCC[C@@H](C)Nc1cn(C)nc1C1CC1 ZINC000462853329 388273667 /nfs/dbraw/zinc/27/36/67/388273667.db2.gz OLZMFNRASQHVHI-GFCCVEGCSA-N 0 0 249.402 3.924 20 0 BHADRN CC(C)CCC[C@H](C)Nc1cn(C)nc1C1CC1 ZINC000462853330 388273670 /nfs/dbraw/zinc/27/36/70/388273670.db2.gz OLZMFNRASQHVHI-LBPRGKRZSA-N 0 0 249.402 3.924 20 0 BHADRN C[C@H]1CC(Nc2cn(C)nc2C2CC2)C[C@H](C)C1 ZINC000462853619 224947994 /nfs/dbraw/zinc/94/79/94/224947994.db2.gz HYZPAIAHAPXGAN-GHMZBOCLSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@H]1C[C@H](Nc2cn(C)nc2C2CC2)C[C@@H](C)C1 ZINC000462853626 388273794 /nfs/dbraw/zinc/27/37/94/388273794.db2.gz HYZPAIAHAPXGAN-PJXYFTJBSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC(Nc2cn(C)nc2C2CC2)C[C@@H](C)C1 ZINC000462853629 224948532 /nfs/dbraw/zinc/94/85/32/224948532.db2.gz HYZPAIAHAPXGAN-QWRGUYRKSA-N 0 0 247.386 3.534 20 0 BHADRN CC[C@@H](COC)Nc1cccc(C2CCC2)c1 ZINC000462854191 388273693 /nfs/dbraw/zinc/27/36/93/388273693.db2.gz LEPFCRAKNHMCTI-AWEZNQCLSA-N 0 0 233.355 3.791 20 0 BHADRN CC[C@H](COC)Nc1cccc(C2CCC2)c1 ZINC000462854192 388273296 /nfs/dbraw/zinc/27/32/96/388273296.db2.gz LEPFCRAKNHMCTI-CQSZACIVSA-N 0 0 233.355 3.791 20 0 BHADRN C[C@H](CCC(C)(C)C)Nc1cn(C)nc1C1CC1 ZINC000462854452 388273796 /nfs/dbraw/zinc/27/37/96/388273796.db2.gz LKRNWNQMKNHMRJ-LLVKDONJSA-N 0 0 249.402 3.924 20 0 BHADRN C[C@@H](CCC(C)(C)C)Nc1cn(C)nc1C1CC1 ZINC000462854454 533520916 /nfs/dbraw/zinc/52/09/16/533520916.db2.gz LKRNWNQMKNHMRJ-NSHDSACASA-N 0 0 249.402 3.924 20 0 BHADRN Cc1nn(C)c2cc(N[C@H](C)CC(C)C)ccc12 ZINC000462855739 388273268 /nfs/dbraw/zinc/27/32/68/388273268.db2.gz QSIRBYZDWWTGNF-LLVKDONJSA-N 0 0 245.370 3.728 20 0 BHADRN Cc1nn(C)c2cc(N[C@@H](C)CC(C)C)ccc12 ZINC000462855740 388273517 /nfs/dbraw/zinc/27/35/17/388273517.db2.gz QSIRBYZDWWTGNF-NSHDSACASA-N 0 0 245.370 3.728 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cn(C)nc2C2CC2)[C@@H](C)C1 ZINC000462855786 224948437 /nfs/dbraw/zinc/94/84/37/224948437.db2.gz RKTWHKAGVUSSBD-MDZLAQPJSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cn(C)nc2C2CC2)[C@H](C)C1 ZINC000462856240 388273636 /nfs/dbraw/zinc/27/36/36/388273636.db2.gz RKTWHKAGVUSSBD-NQBHXWOUSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cn(C)nc2C2CC2)[C@@H](C)C1 ZINC000462856241 388273628 /nfs/dbraw/zinc/27/36/28/388273628.db2.gz RKTWHKAGVUSSBD-NTZNESFSSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cn(C)nc2C2CC2)[C@H](C)C1 ZINC000462856242 224948670 /nfs/dbraw/zinc/94/86/70/224948670.db2.gz RKTWHKAGVUSSBD-WZRBSPASSA-N 0 0 247.386 3.534 20 0 BHADRN CCOC1CC(Nc2cccc(C3CCC3)c2)C1 ZINC000462856523 388273717 /nfs/dbraw/zinc/27/37/17/388273717.db2.gz FYOAGJYLOMITNF-UHFFFAOYSA-N 0 0 245.366 3.934 20 0 BHADRN C[C@H]1CC(C)(C)C[C@H]1Nc1cn(C)nc1C1CC1 ZINC000462857887 388273437 /nfs/dbraw/zinc/27/34/37/388273437.db2.gz XTLFBTMCAKQAFP-CMPLNLGQSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@H]1CC(C)(C)C[C@@H]1Nc1cn(C)nc1C1CC1 ZINC000462857888 388272768 /nfs/dbraw/zinc/27/27/68/388272768.db2.gz XTLFBTMCAKQAFP-JQWIXIFHSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@@H]1Nc1cn(C)nc1C1CC1 ZINC000462857889 388272624 /nfs/dbraw/zinc/27/26/24/388272624.db2.gz XTLFBTMCAKQAFP-PWSUYJOCSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@H]1Nc1cn(C)nc1C1CC1 ZINC000462857890 388272619 /nfs/dbraw/zinc/27/26/19/388272619.db2.gz XTLFBTMCAKQAFP-ZYHUDNBSSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CCCN(c2nc3cc(F)ccc3o2)[C@@H]1C ZINC000462858524 388273466 /nfs/dbraw/zinc/27/34/66/388273466.db2.gz YVRRIPOQEBKSDF-NXEZZACHSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@H]1CCCN(c2nc3cc(F)ccc3o2)[C@H]1C ZINC000462858561 388273453 /nfs/dbraw/zinc/27/34/53/388273453.db2.gz YVRRIPOQEBKSDF-UWVGGRQHSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@@H]1[C@@H](C)CCCN1c1nc2cc(F)ccc2o1 ZINC000462858562 388273476 /nfs/dbraw/zinc/27/34/76/388273476.db2.gz YVRRIPOQEBKSDF-VHSXEESVSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@@H]1CCCN(c2nc3cc(F)ccc3o2)[C@H]1C ZINC000462858563 388273850 /nfs/dbraw/zinc/27/38/50/388273850.db2.gz YVRRIPOQEBKSDF-ZJUUUORDSA-N 0 0 248.301 3.592 20 0 BHADRN Cn1cc(NC2CCC(C)(C)CC2)c(C2CC2)n1 ZINC000462859949 224947775 /nfs/dbraw/zinc/94/77/75/224947775.db2.gz NINDNPHTVYQHLM-UHFFFAOYSA-N 0 0 247.386 3.678 20 0 BHADRN CCCC[C@@H](C)[C@H](C)Nc1cn(C)nc1C1CC1 ZINC000462860492 388273809 /nfs/dbraw/zinc/27/38/09/388273809.db2.gz HINTVSZBLASYEY-NEPJUHHUSA-N 0 0 249.402 3.924 20 0 BHADRN CCCC[C@H](C)[C@@H](C)Nc1cn(C)nc1C1CC1 ZINC000462860493 388273851 /nfs/dbraw/zinc/27/38/51/388273851.db2.gz HINTVSZBLASYEY-NWDGAFQWSA-N 0 0 249.402 3.924 20 0 BHADRN CCCC[C@H](C)[C@H](C)Nc1cn(C)nc1C1CC1 ZINC000462860856 388273492 /nfs/dbraw/zinc/27/34/92/388273492.db2.gz HINTVSZBLASYEY-RYUDHWBXSA-N 0 0 249.402 3.924 20 0 BHADRN CCCC[C@@H](C)[C@@H](C)Nc1cn(C)nc1C1CC1 ZINC000462860857 388273607 /nfs/dbraw/zinc/27/36/07/388273607.db2.gz HINTVSZBLASYEY-VXGBXAGGSA-N 0 0 249.402 3.924 20 0 BHADRN CC(C)C(CNc1cn(C)nc1C1CC1)C(C)C ZINC000462861127 388273483 /nfs/dbraw/zinc/27/34/83/388273483.db2.gz RMUPUMGMFWYLPG-UHFFFAOYSA-N 0 0 249.402 3.638 20 0 BHADRN C[C@H](CC1CCCC1)Nc1cn(C)nc1C1CC1 ZINC000462861273 388272909 /nfs/dbraw/zinc/27/29/09/388272909.db2.gz IYZKCLPFVWVBMG-LLVKDONJSA-N 0 0 247.386 3.678 20 0 BHADRN C[C@@H](CC1CCCC1)Nc1cn(C)nc1C1CC1 ZINC000462861274 388272545 /nfs/dbraw/zinc/27/25/45/388272545.db2.gz IYZKCLPFVWVBMG-NSHDSACASA-N 0 0 247.386 3.678 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc2c(C)nn(C)c2c1 ZINC000462861571 388273832 /nfs/dbraw/zinc/27/38/32/388273832.db2.gz SRYSZMXWPNRIFH-GHMZBOCLSA-N 0 0 245.370 3.728 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc2c(C)nn(C)c2c1 ZINC000462861572 388273639 /nfs/dbraw/zinc/27/36/39/388273639.db2.gz SRYSZMXWPNRIFH-MNOVXSKESA-N 0 0 245.370 3.728 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc2c(C)nn(C)c2c1 ZINC000462861573 529242943 /nfs/dbraw/zinc/24/29/43/529242943.db2.gz SRYSZMXWPNRIFH-QWRGUYRKSA-N 0 0 245.370 3.728 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc2c(C)nn(C)c2c1 ZINC000462861574 388273600 /nfs/dbraw/zinc/27/36/00/388273600.db2.gz SRYSZMXWPNRIFH-WDEREUQCSA-N 0 0 245.370 3.728 20 0 BHADRN CNC(=O)Nc1c(C)cc(Cl)c2ccccc21 ZINC000462862243 388273604 /nfs/dbraw/zinc/27/36/04/388273604.db2.gz VVZYMOYZRANWLW-UHFFFAOYSA-N 0 0 248.713 3.553 20 0 BHADRN CCC1CCC(Nc2cn(C)nc2C2CC2)CC1 ZINC000462863413 527859950 /nfs/dbraw/zinc/85/99/50/527859950.db2.gz ZKWDBSYAGPLCJD-UHFFFAOYSA-N 0 0 247.386 3.678 20 0 BHADRN Cn1cc(NCC2CCCCCC2)c(C2CC2)n1 ZINC000462865784 388273767 /nfs/dbraw/zinc/27/37/67/388273767.db2.gz FFWMJZASYLTSJY-UHFFFAOYSA-N 0 0 247.386 3.680 20 0 BHADRN Cn1cc(NCCC2CCCCC2)c(C2CC2)n1 ZINC000462867344 388273641 /nfs/dbraw/zinc/27/36/41/388273641.db2.gz HNTWIGFJDWBBJI-UHFFFAOYSA-N 0 0 247.386 3.680 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2cn(C)nc2C2CC2)[C@H]1C ZINC000462867719 533880612 /nfs/dbraw/zinc/88/06/12/533880612.db2.gz MITGSFDHEUEWJE-MDZLAQPJSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2cn(C)nc2C2CC2)[C@@H]1C ZINC000462867720 388273561 /nfs/dbraw/zinc/27/35/61/388273561.db2.gz MITGSFDHEUEWJE-NQBHXWOUSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2cn(C)nc2C2CC2)[C@H]1C ZINC000462867721 388273618 /nfs/dbraw/zinc/27/36/18/388273618.db2.gz MITGSFDHEUEWJE-NTZNESFSSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2cn(C)nc2C2CC2)[C@@H]1C ZINC000462867822 388273552 /nfs/dbraw/zinc/27/35/52/388273552.db2.gz MITGSFDHEUEWJE-WZRBSPASSA-N 0 0 247.386 3.534 20 0 BHADRN Cn1cc(N[C@@H]2CCCC(C)(C)C2)c(C2CC2)n1 ZINC000462867957 224947806 /nfs/dbraw/zinc/94/78/06/224947806.db2.gz XBPIPDUCGDTIFN-GFCCVEGCSA-N 0 0 247.386 3.678 20 0 BHADRN Cn1cc(N[C@H]2CCCC(C)(C)C2)c(C2CC2)n1 ZINC000462867958 388273447 /nfs/dbraw/zinc/27/34/47/388273447.db2.gz XBPIPDUCGDTIFN-LBPRGKRZSA-N 0 0 247.386 3.678 20 0 BHADRN Cc1nn(C)c2cc(NC3CCCCC3)ccc12 ZINC000462868454 388273430 /nfs/dbraw/zinc/27/34/30/388273430.db2.gz ZJGNQOLBQXPPAX-UHFFFAOYSA-N 0 0 243.354 3.626 20 0 BHADRN Cn1cccc1CNc1cccc(C2CCC2)c1 ZINC000462868583 388273490 /nfs/dbraw/zinc/27/34/90/388273490.db2.gz BICNIIBFJUQHNP-UHFFFAOYSA-N 0 0 240.350 3.905 20 0 BHADRN C[C@H]1OCC[C@@H]1Nc1cccc(C2CCC2)c1 ZINC000462868743 388273469 /nfs/dbraw/zinc/27/34/69/388273469.db2.gz SQOVLTFBFRVOLX-ABAIWWIYSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@H]1OCC[C@H]1Nc1cccc(C2CCC2)c1 ZINC000462868744 388273588 /nfs/dbraw/zinc/27/35/88/388273588.db2.gz SQOVLTFBFRVOLX-IAQYHMDHSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@@H]1OCC[C@@H]1Nc1cccc(C2CCC2)c1 ZINC000462868745 388273680 /nfs/dbraw/zinc/27/36/80/388273680.db2.gz SQOVLTFBFRVOLX-NHYWBVRUSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@@H]1OCC[C@H]1Nc1cccc(C2CCC2)c1 ZINC000462868746 534199165 /nfs/dbraw/zinc/19/91/65/534199165.db2.gz SQOVLTFBFRVOLX-XHDPSFHLSA-N 0 0 231.339 3.543 20 0 BHADRN CCC[C@@H](C)CNc1ccc2c(C)nn(C)c2c1 ZINC000462868817 388273661 /nfs/dbraw/zinc/27/36/61/388273661.db2.gz CECKTHVWANJZGY-LLVKDONJSA-N 0 0 245.370 3.730 20 0 BHADRN CCC[C@H](C)CNc1ccc2c(C)nn(C)c2c1 ZINC000462868818 528034230 /nfs/dbraw/zinc/03/42/30/528034230.db2.gz CECKTHVWANJZGY-NSHDSACASA-N 0 0 245.370 3.730 20 0 BHADRN c1cc(N[C@H]2CCCOCC2)cc(C2CCC2)c1 ZINC000462871039 388273501 /nfs/dbraw/zinc/27/35/01/388273501.db2.gz OBSPMXFBUDTAMT-HNNXBMFYSA-N 0 0 245.366 3.935 20 0 BHADRN c1cc(N[C@@H]2CCCOCC2)cc(C2CCC2)c1 ZINC000462871040 388273771 /nfs/dbraw/zinc/27/37/71/388273771.db2.gz OBSPMXFBUDTAMT-OAHLLOKOSA-N 0 0 245.366 3.935 20 0 BHADRN CCOC[C@@H](C)Nc1cccc(C2CCC2)c1 ZINC000462871776 388273752 /nfs/dbraw/zinc/27/37/52/388273752.db2.gz DGNXBQFVQLXTMO-GFCCVEGCSA-N 0 0 233.355 3.791 20 0 BHADRN CCOC[C@H](C)Nc1cccc(C2CCC2)c1 ZINC000462871778 388273699 /nfs/dbraw/zinc/27/36/99/388273699.db2.gz DGNXBQFVQLXTMO-LBPRGKRZSA-N 0 0 233.355 3.791 20 0 BHADRN CC[C@H](Nc1ccc2c(C)nn(C)c2c1)C(C)C ZINC000462872055 388273581 /nfs/dbraw/zinc/27/35/81/388273581.db2.gz BRUBDNATKGTOEP-AWEZNQCLSA-N 0 0 245.370 3.728 20 0 BHADRN CC[C@@H](Nc1ccc2c(C)nn(C)c2c1)C(C)C ZINC000462872056 529210055 /nfs/dbraw/zinc/21/00/55/529210055.db2.gz BRUBDNATKGTOEP-CQSZACIVSA-N 0 0 245.370 3.728 20 0 BHADRN CC(C)CC[C@@H](C)Nc1cn(C)nc1C1CC1 ZINC000462872805 388273664 /nfs/dbraw/zinc/27/36/64/388273664.db2.gz GEAHTIZTAFIVRC-LLVKDONJSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)CC[C@H](C)Nc1cn(C)nc1C1CC1 ZINC000462872807 388273706 /nfs/dbraw/zinc/27/37/06/388273706.db2.gz GEAHTIZTAFIVRC-NSHDSACASA-N 0 0 235.375 3.534 20 0 BHADRN CCC(CC)CNc1ccc2c(C)nn(C)c2c1 ZINC000462872978 528763099 /nfs/dbraw/zinc/76/30/99/528763099.db2.gz GMAYLODNXGKIOY-UHFFFAOYSA-N 0 0 245.370 3.730 20 0 BHADRN COC1CC(Nc2cccc(C3CCC3)c2)C1 ZINC000462873444 388273712 /nfs/dbraw/zinc/27/37/12/388273712.db2.gz JBHGQCBEHVTIIS-UHFFFAOYSA-N 0 0 231.339 3.543 20 0 BHADRN CCCC(CCC)Nc1cn(C)nc1C1CC1 ZINC000462873690 527999719 /nfs/dbraw/zinc/99/97/19/527999719.db2.gz IJMBXXYWILPELE-UHFFFAOYSA-N 0 0 235.375 3.678 20 0 BHADRN CCCC[C@@H](C)Nc1ccc2c(C)nn(C)c2c1 ZINC000462875339 388273620 /nfs/dbraw/zinc/27/36/20/388273620.db2.gz RFAUPLWLTDVCAV-LLVKDONJSA-N 0 0 245.370 3.872 20 0 BHADRN CCCC[C@H](C)Nc1ccc2c(C)nn(C)c2c1 ZINC000462875341 388273673 /nfs/dbraw/zinc/27/36/73/388273673.db2.gz RFAUPLWLTDVCAV-NSHDSACASA-N 0 0 245.370 3.872 20 0 BHADRN CC[C@H](C)C[C@H](CC)Nc1cn(C)nc1C1CC1 ZINC000462875648 388273366 /nfs/dbraw/zinc/27/33/66/388273366.db2.gz SJMJTFHZKLVOEP-AAEUAGOBSA-N 0 0 249.402 3.924 20 0 BHADRN CC[C@@H](C)C[C@@H](CC)Nc1cn(C)nc1C1CC1 ZINC000462875649 388273590 /nfs/dbraw/zinc/27/35/90/388273590.db2.gz SJMJTFHZKLVOEP-DGCLKSJQSA-N 0 0 249.402 3.924 20 0 BHADRN CC[C@H](C[C@@H](C)CC)Nc1cn(C)nc1C1CC1 ZINC000462875650 529418718 /nfs/dbraw/zinc/41/87/18/529418718.db2.gz SJMJTFHZKLVOEP-WCQYABFASA-N 0 0 249.402 3.924 20 0 BHADRN CC[C@@H](C)C[C@H](CC)Nc1cn(C)nc1C1CC1 ZINC000462875651 388273780 /nfs/dbraw/zinc/27/37/80/388273780.db2.gz SJMJTFHZKLVOEP-YPMHNXCESA-N 0 0 249.402 3.924 20 0 BHADRN CC(C)[C@H]1CCC[C@H]1Nc1cn(C)nc1C1CC1 ZINC000462876746 388273842 /nfs/dbraw/zinc/27/38/42/388273842.db2.gz PIZYLTMXWFPIEY-CHWSQXEVSA-N 0 0 247.386 3.534 20 0 BHADRN CC(C)[C@H]1CCC[C@@H]1Nc1cn(C)nc1C1CC1 ZINC000462876747 388273723 /nfs/dbraw/zinc/27/37/23/388273723.db2.gz PIZYLTMXWFPIEY-OLZOCXBDSA-N 0 0 247.386 3.534 20 0 BHADRN CC(C)[C@@H]1CCC[C@H]1Nc1cn(C)nc1C1CC1 ZINC000462876748 388273523 /nfs/dbraw/zinc/27/35/23/388273523.db2.gz PIZYLTMXWFPIEY-QWHCGFSZSA-N 0 0 247.386 3.534 20 0 BHADRN CC(C)[C@@H]1CCC[C@@H]1Nc1cn(C)nc1C1CC1 ZINC000462876749 388273595 /nfs/dbraw/zinc/27/35/95/388273595.db2.gz PIZYLTMXWFPIEY-STQMWFEESA-N 0 0 247.386 3.534 20 0 BHADRN CCCC[C@@H](CC)Nc1cn(C)nc1C1CC1 ZINC000462876861 388273537 /nfs/dbraw/zinc/27/35/37/388273537.db2.gz XOJFFBSKLLHRCE-GFCCVEGCSA-N 0 0 235.375 3.678 20 0 BHADRN CCCC[C@H](CC)Nc1cn(C)nc1C1CC1 ZINC000462876862 388272607 /nfs/dbraw/zinc/27/26/07/388272607.db2.gz XOJFFBSKLLHRCE-LBPRGKRZSA-N 0 0 235.375 3.678 20 0 BHADRN c1cc(NCC[C@@H]2CCOC2)cc(C2CCC2)c1 ZINC000462877240 224949441 /nfs/dbraw/zinc/94/94/41/224949441.db2.gz ZJCCAPOSZBFBJV-CYBMUJFWSA-N 0 0 245.366 3.793 20 0 BHADRN c1cc(NCC[C@H]2CCOC2)cc(C2CCC2)c1 ZINC000462877241 224949682 /nfs/dbraw/zinc/94/96/82/224949682.db2.gz ZJCCAPOSZBFBJV-ZDUSSCGKSA-N 0 0 245.366 3.793 20 0 BHADRN CC[C@H]1CCC[C@H](Nc2cn(C)nc2C2CC2)C1 ZINC000462878214 388273597 /nfs/dbraw/zinc/27/35/97/388273597.db2.gz STZAOMSHOUINLG-AAEUAGOBSA-N 0 0 247.386 3.678 20 0 BHADRN CC[C@@H]1CCC[C@@H](Nc2cn(C)nc2C2CC2)C1 ZINC000462878215 388273571 /nfs/dbraw/zinc/27/35/71/388273571.db2.gz STZAOMSHOUINLG-DGCLKSJQSA-N 0 0 247.386 3.678 20 0 BHADRN CC[C@H]1CCC[C@@H](Nc2cn(C)nc2C2CC2)C1 ZINC000462878216 388273839 /nfs/dbraw/zinc/27/38/39/388273839.db2.gz STZAOMSHOUINLG-WCQYABFASA-N 0 0 247.386 3.678 20 0 BHADRN CC[C@@H]1CCC[C@H](Nc2cn(C)nc2C2CC2)C1 ZINC000462878496 529316471 /nfs/dbraw/zinc/31/64/71/529316471.db2.gz STZAOMSHOUINLG-YPMHNXCESA-N 0 0 247.386 3.678 20 0 BHADRN C[C@@H](Nc1cn(C)nc1C1CC1)C1CCCCC1 ZINC000462878909 388274370 /nfs/dbraw/zinc/27/43/70/388274370.db2.gz VHQGDUQCNHZDAJ-LLVKDONJSA-N 0 0 247.386 3.678 20 0 BHADRN C[C@H](Nc1cn(C)nc1C1CC1)C1CCCCC1 ZINC000462878910 388274249 /nfs/dbraw/zinc/27/42/49/388274249.db2.gz VHQGDUQCNHZDAJ-NSHDSACASA-N 0 0 247.386 3.678 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cn(C)nc2C2CC2)C[C@@H]1C ZINC000462879241 388274259 /nfs/dbraw/zinc/27/42/59/388274259.db2.gz WUUHNSPVGWOQBR-MDZLAQPJSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cn(C)nc2C2CC2)C[C@H]1C ZINC000462879242 534192462 /nfs/dbraw/zinc/19/24/62/534192462.db2.gz WUUHNSPVGWOQBR-NQBHXWOUSA-N 0 0 247.386 3.534 20 0 BHADRN 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CC(C)c1cc(N2C[C@H](C)CCC[C@@H]2C)ncn1 ZINC000462892247 388274415 /nfs/dbraw/zinc/27/44/15/388274415.db2.gz VFYUROSDGWUMDK-OLZOCXBDSA-N 0 0 247.386 3.615 20 0 BHADRN CC(C)c1cc(N2C[C@@H](C)CCC[C@H]2C)ncn1 ZINC000462892248 388274303 /nfs/dbraw/zinc/27/43/03/388274303.db2.gz VFYUROSDGWUMDK-QWHCGFSZSA-N 0 0 247.386 3.615 20 0 BHADRN CC(C)c1cc(N2C[C@@H](C)CCC[C@@H]2C)ncn1 ZINC000462892249 528046023 /nfs/dbraw/zinc/04/60/23/528046023.db2.gz VFYUROSDGWUMDK-STQMWFEESA-N 0 0 247.386 3.615 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N(C)CC1CCCCC1 ZINC000462901801 411344715 /nfs/dbraw/zinc/34/47/15/411344715.db2.gz FPVNYBBGSKDWDT-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)C[C@H](C)C(=O)N(C)CC1CCCCC1 ZINC000462901803 411344871 /nfs/dbraw/zinc/34/48/71/411344871.db2.gz FPVNYBBGSKDWDT-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)C1CCN(c2nccc3occc32)CC1 ZINC000462905686 527653466 /nfs/dbraw/zinc/65/34/66/527653466.db2.gz JFCPVBIBOFPVOL-UHFFFAOYSA-N 0 0 244.338 3.700 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CC[C@@H]1c1ccccc1 ZINC000462914957 411344359 /nfs/dbraw/zinc/34/43/59/411344359.db2.gz TZQXFPAWVSVUAH-DZGCQCFKSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CC[C@H]1c1ccccc1 ZINC000462914958 528245126 /nfs/dbraw/zinc/24/51/26/528245126.db2.gz TZQXFPAWVSVUAH-HIFRSBDPSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CC[C@@H]1c1ccccc1 ZINC000462914960 398011854 /nfs/dbraw/zinc/01/18/54/398011854.db2.gz TZQXFPAWVSVUAH-UKRRQHHQSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CC[C@H]1c1ccccc1 ZINC000462914962 528452722 /nfs/dbraw/zinc/45/27/22/528452722.db2.gz TZQXFPAWVSVUAH-ZFWWWQNUSA-N 0 0 245.366 3.642 20 0 BHADRN Cc1nccc(Oc2cccc(C(C)(C)C)c2)n1 ZINC000462919531 398011978 /nfs/dbraw/zinc/01/19/78/398011978.db2.gz QDKPRHADKLYOFL-UHFFFAOYSA-N 0 0 242.322 3.875 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CCC[C@H]1CC(C)C ZINC000462925461 528453417 /nfs/dbraw/zinc/45/34/17/528453417.db2.gz JQKZYYSIGHODMO-KBPBESRZSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CCC[C@H]1CC(C)C ZINC000462925462 388275090 /nfs/dbraw/zinc/27/50/90/388275090.db2.gz JQKZYYSIGHODMO-KGLIPLIRSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1CCC[C@@H]1CC(C)C ZINC000462925463 398011930 /nfs/dbraw/zinc/01/19/30/398011930.db2.gz JQKZYYSIGHODMO-UONOGXRCSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CC(C)C ZINC000462925464 388275041 /nfs/dbraw/zinc/27/50/41/388275041.db2.gz JQKZYYSIGHODMO-ZIAGYGMSSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@]1(C)CCCN(c2cc(C(C)C)ncn2)C1 ZINC000462927975 388274971 /nfs/dbraw/zinc/27/49/71/388274971.db2.gz PVJHMMGPHOTLAU-HNNXBMFYSA-N 0 0 247.386 3.617 20 0 BHADRN CC[C@]1(C)CCCN(c2cc(C(C)C)ncn2)C1 ZINC000462927976 529396061 /nfs/dbraw/zinc/39/60/61/529396061.db2.gz PVJHMMGPHOTLAU-OAHLLOKOSA-N 0 0 247.386 3.617 20 0 BHADRN CC1(C)CCN(c2ccc3ccc(F)cc3n2)C1 ZINC000462935017 388275037 /nfs/dbraw/zinc/27/50/37/388275037.db2.gz GGLZBYOZMNKUMA-UHFFFAOYSA-N 0 0 244.313 3.610 20 0 BHADRN CC(C)CCSc1ccnc(C(C)C)n1 ZINC000462935480 388274799 /nfs/dbraw/zinc/27/47/99/388274799.db2.gz NYGPPELWKFIQAN-UHFFFAOYSA-N 0 0 224.373 3.738 20 0 BHADRN CCC[C@H](C)[C@H](CC)Nc1cn(C)nc1C1CC1 ZINC000462940846 388274751 /nfs/dbraw/zinc/27/47/51/388274751.db2.gz CPEVOQCVHARCGO-AAEUAGOBSA-N 0 0 249.402 3.924 20 0 BHADRN CCC[C@@H](C)[C@@H](CC)Nc1cn(C)nc1C1CC1 ZINC000462940847 388274961 /nfs/dbraw/zinc/27/49/61/388274961.db2.gz CPEVOQCVHARCGO-DGCLKSJQSA-N 0 0 249.402 3.924 20 0 BHADRN CCC[C@H](C)[C@@H](CC)Nc1cn(C)nc1C1CC1 ZINC000462940848 388274929 /nfs/dbraw/zinc/27/49/29/388274929.db2.gz CPEVOQCVHARCGO-WCQYABFASA-N 0 0 249.402 3.924 20 0 BHADRN CCC[C@@H](C)[C@H](CC)Nc1cn(C)nc1C1CC1 ZINC000462940849 388274669 /nfs/dbraw/zinc/27/46/69/388274669.db2.gz CPEVOQCVHARCGO-YPMHNXCESA-N 0 0 249.402 3.924 20 0 BHADRN CC(C)CCSc1cc(C(C)C)ncn1 ZINC000462941644 527798024 /nfs/dbraw/zinc/79/80/24/527798024.db2.gz RUUYGNYUODFRHC-UHFFFAOYSA-N 0 0 224.373 3.738 20 0 BHADRN Cn1cc(N[C@H]2CC[C@H]2C(C)(C)C)c(C2CC2)n1 ZINC000462941902 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388274705 /nfs/dbraw/zinc/27/47/05/388274705.db2.gz NBONQNNTXKVRCY-WCQYABFASA-N 0 0 247.386 3.678 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1Nc1cn(C)nc1C1CC1 ZINC000462943569 388274652 /nfs/dbraw/zinc/27/46/52/388274652.db2.gz NBONQNNTXKVRCY-YPMHNXCESA-N 0 0 247.386 3.678 20 0 BHADRN C[C@H](Nc1cccc(C2CCC2)c1)[C@H]1CCCO1 ZINC000462945978 224949497 /nfs/dbraw/zinc/94/94/97/224949497.db2.gz UIVXOXDPROUODX-BLLLJJGKSA-N 0 0 245.366 3.934 20 0 BHADRN C[C@H](Nc1cccc(C2CCC2)c1)[C@@H]1CCCO1 ZINC000462945979 388274888 /nfs/dbraw/zinc/27/48/88/388274888.db2.gz UIVXOXDPROUODX-LRDDRELGSA-N 0 0 245.366 3.934 20 0 BHADRN C[C@@H](Nc1cccc(C2CCC2)c1)[C@H]1CCCO1 ZINC000462945980 388274730 /nfs/dbraw/zinc/27/47/30/388274730.db2.gz UIVXOXDPROUODX-MLGOLLRUSA-N 0 0 245.366 3.934 20 0 BHADRN C[C@@H](Nc1cccc(C2CCC2)c1)[C@@H]1CCCO1 ZINC000462945981 388274762 /nfs/dbraw/zinc/27/47/62/388274762.db2.gz UIVXOXDPROUODX-WBMJQRKESA-N 0 0 245.366 3.934 20 0 BHADRN C[C@@H]1CCC[C@@H](C)C1Nc1cn(C)nc1C1CC1 ZINC000462947855 388274894 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ZINC000463006268 388275551 /nfs/dbraw/zinc/27/55/51/388275551.db2.gz BRYDGUPXRBCRTD-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CCN(CC(C)(C)C)C(=O)C[C@H]1CCC[C@@H]1C ZINC000463006269 388275839 /nfs/dbraw/zinc/27/58/39/388275839.db2.gz BRYDGUPXRBCRTD-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CCN(CC(C)(C)C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC000463006270 388275536 /nfs/dbraw/zinc/27/55/36/388275536.db2.gz BRYDGUPXRBCRTD-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN CCN(CC(C)(C)C)C(=O)c1cccc(C)c1C ZINC000463008838 527945471 /nfs/dbraw/zinc/94/54/71/527945471.db2.gz HQGVSGUSBIDZEB-UHFFFAOYSA-N 0 0 247.382 3.812 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N(CC)CC(C)(C)C ZINC000463010313 388275905 /nfs/dbraw/zinc/27/59/05/388275905.db2.gz LPTBKJQDCZMCTG-GFCCVEGCSA-N 0 0 241.419 3.953 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N(CC)CC(C)(C)C ZINC000463010314 388275652 /nfs/dbraw/zinc/27/56/52/388275652.db2.gz LPTBKJQDCZMCTG-LBPRGKRZSA-N 0 0 241.419 3.953 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CC)CC(C)(C)C ZINC000463011005 388275909 /nfs/dbraw/zinc/27/59/09/388275909.db2.gz MJCGJMQVZLWIGM-GFCCVEGCSA-N 0 0 227.392 3.707 20 0 BHADRN CCCC[C@H](C)C(=O)N(CC)CC(C)(C)C ZINC000463011006 388275849 /nfs/dbraw/zinc/27/58/49/388275849.db2.gz MJCGJMQVZLWIGM-LBPRGKRZSA-N 0 0 227.392 3.707 20 0 BHADRN CCN(CC(C)(C)C)C(=O)CC1=CCCCC1 ZINC000463011452 388275526 /nfs/dbraw/zinc/27/55/26/388275526.db2.gz NSYNRDFCTZOPAM-UHFFFAOYSA-N 0 0 237.387 3.772 20 0 BHADRN CCN(CC(C)(C)C)C(=O)CCc1ccccc1 ZINC000463012012 527942477 /nfs/dbraw/zinc/94/24/77/527942477.db2.gz OHBJXRPBGSLDCB-UHFFFAOYSA-N 0 0 247.382 3.514 20 0 BHADRN CCN(CC(C)(C)C)C(=O)[C@H](C)CC(C)C ZINC000463013291 388275540 /nfs/dbraw/zinc/27/55/40/388275540.db2.gz QVMBZDMESROBDM-GFCCVEGCSA-N 0 0 227.392 3.563 20 0 BHADRN CCN(CC(C)(C)C)C(=O)[C@@H](C)CC(C)C ZINC000463013292 388275710 /nfs/dbraw/zinc/27/57/10/388275710.db2.gz QVMBZDMESROBDM-LBPRGKRZSA-N 0 0 227.392 3.563 20 0 BHADRN CCN(CC(C)(C)C)C(=O)CCC1CCCC1 ZINC000463013427 527942730 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/nfs/dbraw/zinc/27/61/43/388276143.db2.gz KYZYCCPIDLGFAH-UHFFFAOYSA-N 0 0 234.245 3.586 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(CCC(C)(C)C)no1 ZINC000463046858 388276950 /nfs/dbraw/zinc/27/69/50/388276950.db2.gz AUVTYSIWSOITHN-GHMZBOCLSA-N 0 0 236.359 3.952 20 0 BHADRN C[C@@H]1CN(Cc2cccs2)c2ccccc2O1 ZINC000463051329 385428165 /nfs/dbraw/zinc/42/81/65/385428165.db2.gz BEQPQFFCQNZOCD-LLVKDONJSA-N 0 0 245.347 3.536 20 0 BHADRN C[C@H]1CN(Cc2cccs2)c2ccccc2O1 ZINC000463051330 385427594 /nfs/dbraw/zinc/42/75/94/385427594.db2.gz BEQPQFFCQNZOCD-NSHDSACASA-N 0 0 245.347 3.536 20 0 BHADRN CC[C@]1(C)CCCN(c2ccc(Cl)cn2)C1 ZINC000463051434 388276923 /nfs/dbraw/zinc/27/69/23/388276923.db2.gz DYXCZDAOVBZGQM-CYBMUJFWSA-N 0 0 238.762 3.752 20 0 BHADRN CC[C@@]1(C)CCCN(c2ccc(Cl)cn2)C1 ZINC000463051435 529524282 /nfs/dbraw/zinc/52/42/82/529524282.db2.gz DYXCZDAOVBZGQM-ZDUSSCGKSA-N 0 0 238.762 3.752 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(CC(C)(C)C)no1 ZINC000463056377 388276339 /nfs/dbraw/zinc/27/63/39/388276339.db2.gz PBTDMTMZKMJLEF-NXEZZACHSA-N 0 0 222.332 3.562 20 0 BHADRN C[C@H]1CCCN1c1ccnc2ccc(Cl)cc21 ZINC000463063628 388276543 /nfs/dbraw/zinc/27/65/43/388276543.db2.gz VVYRTXKEIJGDSA-JTQLQIEISA-N 0 0 246.741 3.877 20 0 BHADRN C[C@@H]1CCCN1c1ccnc2ccc(Cl)cc21 ZINC000463063630 388276769 /nfs/dbraw/zinc/27/67/69/388276769.db2.gz VVYRTXKEIJGDSA-SNVBAGLBSA-N 0 0 246.741 3.877 20 0 BHADRN CCc1cccc(CC)c1NC(=O)C[C@H]1C[C@H]1C ZINC000463066760 529164912 /nfs/dbraw/zinc/16/49/12/529164912.db2.gz BFFMBKSCDCDXLS-BXUZGUMPSA-N 0 0 245.366 3.796 20 0 BHADRN CCc1cccc(CC)c1NC(=O)C[C@@H]1C[C@@H]1C ZINC000463066761 388276501 /nfs/dbraw/zinc/27/65/01/388276501.db2.gz BFFMBKSCDCDXLS-FZMZJTMJSA-N 0 0 245.366 3.796 20 0 BHADRN CCc1cccc(CC)c1NC(=O)C[C@@H]1C[C@H]1C ZINC000463066762 388276273 /nfs/dbraw/zinc/27/62/73/388276273.db2.gz BFFMBKSCDCDXLS-RISCZKNCSA-N 0 0 245.366 3.796 20 0 BHADRN CCc1cccc(CC)c1NC(=O)C[C@H]1C[C@@H]1C ZINC000463066763 388276977 /nfs/dbraw/zinc/27/69/77/388276977.db2.gz BFFMBKSCDCDXLS-SMDDNHRTSA-N 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20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1c(C)cccc1CC ZINC000463072004 388276942 /nfs/dbraw/zinc/27/69/42/388276942.db2.gz UWQDMXFDTGKWBL-ZIAGYGMSSA-N 0 0 245.366 3.932 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1Cl ZINC000463073586 388276935 /nfs/dbraw/zinc/27/69/35/388276935.db2.gz ZJNOHMRYVJXTKZ-NXEZZACHSA-N 0 0 237.730 3.715 20 0 BHADRN Clc1ccc2nccc(NCCC3CC3)c2c1 ZINC000463077314 388276294 /nfs/dbraw/zinc/27/62/94/388276294.db2.gz KJCGFZRDSOFVQK-UHFFFAOYSA-N 0 0 246.741 3.522 20 0 BHADRN CC(C)[C@@H](C)N(C)C(=O)CCCC1CCCC1 ZINC000463086653 388087270 /nfs/dbraw/zinc/08/72/70/388087270.db2.gz IVIISASNXBSFEJ-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)[C@H](C)N(C)C(=O)CCCC1CCCC1 ZINC000463086655 388086786 /nfs/dbraw/zinc/08/67/86/388086786.db2.gz IVIISASNXBSFEJ-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)(C)CCNC(=O)CCCC1CCCC1 ZINC000463086977 527665602 /nfs/dbraw/zinc/66/56/02/527665602.db2.gz JPRDFRPLSHCQPX-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN O=C(CC1CCC1)NCCCC1CCCCC1 ZINC000463103179 229175488 /nfs/dbraw/zinc/17/54/88/229175488.db2.gz UUVNFUOOJACAOZ-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)CCCC1CCCC1 ZINC000463106759 528884256 /nfs/dbraw/zinc/88/42/56/528884256.db2.gz KKQSUFYPMILRMF-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@H](C)N(C)C(=O)CCCC1CCCC1 ZINC000463106761 528041492 /nfs/dbraw/zinc/04/14/92/528041492.db2.gz KKQSUFYPMILRMF-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCN(C(=O)C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000463108080 528302359 /nfs/dbraw/zinc/30/23/59/528302359.db2.gz NQIRLLJXIYWERS-KBPBESRZSA-N 0 0 245.366 3.866 20 0 BHADRN CCCCN(C(=O)C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000463108082 528301594 /nfs/dbraw/zinc/30/15/94/528301594.db2.gz NQIRLLJXIYWERS-KGLIPLIRSA-N 0 0 245.366 3.866 20 0 BHADRN CCCCN(C(=O)C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000463108083 528303326 /nfs/dbraw/zinc/30/33/26/528303326.db2.gz NQIRLLJXIYWERS-UONOGXRCSA-N 0 0 245.366 3.866 20 0 BHADRN CCCCN(C(=O)C[C@H]1C[C@H]1C)c1ccccc1 ZINC000463108084 528303114 /nfs/dbraw/zinc/30/31/14/528303114.db2.gz NQIRLLJXIYWERS-ZIAGYGMSSA-N 0 0 245.366 3.866 20 0 BHADRN O=C(CCCC1CCCC1)NCC1CCCC1 ZINC000463109392 229175241 /nfs/dbraw/zinc/17/52/41/229175241.db2.gz QWLKADKPQHIMQD-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCN(CC(C)C)C(=O)CCCC1CCCC1 ZINC000463113791 527956988 /nfs/dbraw/zinc/95/69/88/527956988.db2.gz DIANRAHXYPWQIP-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@H](NC(=O)CCCC1CCCC1)C(C)C ZINC000463145386 388086954 /nfs/dbraw/zinc/08/69/54/388086954.db2.gz YCAMKNWVCYMDOG-AWEZNQCLSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](NC(=O)CCCC1CCCC1)C(C)C ZINC000463145387 388086860 /nfs/dbraw/zinc/08/68/60/388086860.db2.gz YCAMKNWVCYMDOG-CQSZACIVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC1CCC(NC(=O)CC2CCC2)CC1 ZINC000463157259 388087012 /nfs/dbraw/zinc/08/70/12/388087012.db2.gz AKGQZQYDLXVAOO-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CCC(C)(C)c1nc(CC2CC(C)(C)C2)no1 ZINC000463164610 388086698 /nfs/dbraw/zinc/08/66/98/388086698.db2.gz LJVASXSPTCNZFP-UHFFFAOYSA-N 0 0 236.359 3.736 20 0 BHADRN CC(C)(C)Cc1nc(CC2CC(C)(C)C2)no1 ZINC000463170513 388087821 /nfs/dbraw/zinc/08/78/21/388087821.db2.gz GVBBUYMIGCHTPM-UHFFFAOYSA-N 0 0 236.359 3.637 20 0 BHADRN C[C@@H](c1nc(CC2CC(C)(C)C2)no1)C1CC1 ZINC000463170576 388087827 /nfs/dbraw/zinc/08/78/27/388087827.db2.gz MTOQLNAQWGSWOC-SECBINFHSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@H](c1nc(CC2CC(C)(C)C2)no1)C1CC1 ZINC000463170577 388086720 /nfs/dbraw/zinc/08/67/20/388086720.db2.gz MTOQLNAQWGSWOC-VIFPVBQESA-N 0 0 234.343 3.562 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)CCCC1CCCC1 ZINC000463172801 529392161 /nfs/dbraw/zinc/39/21/61/529392161.db2.gz QRQJJCUXJDINAF-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)CCCC1CCCC1 ZINC000463172802 388089257 /nfs/dbraw/zinc/08/92/57/388089257.db2.gz QRQJJCUXJDINAF-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)CCCC1CCCC1 ZINC000463172803 388088122 /nfs/dbraw/zinc/08/81/22/388088122.db2.gz QRQJJCUXJDINAF-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)CCCC1CCCC1 ZINC000463172804 529239748 /nfs/dbraw/zinc/23/97/48/529239748.db2.gz QRQJJCUXJDINAF-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC1(C)CC(Cc2noc(-c3ccccc3)n2)C1 ZINC000463174918 388088657 /nfs/dbraw/zinc/08/86/57/388088657.db2.gz UFDZPGAZBYYZHY-UHFFFAOYSA-N 0 0 242.322 3.715 20 0 BHADRN Cc1cc(F)cc(C(=O)NC2(C)CCCCC2)c1 ZINC000463177534 388089116 /nfs/dbraw/zinc/08/91/16/388089116.db2.gz MMTULTALQSGUPL-UHFFFAOYSA-N 0 0 249.329 3.587 20 0 BHADRN C/C(=C/c1nc(CC2CC(C)(C)C2)no1)C1CC1 ZINC000463179332 527510353 /nfs/dbraw/zinc/51/03/53/527510353.db2.gz BNXYWMGBJVDASK-POHAHGRESA-N 0 0 246.354 3.862 20 0 BHADRN C/C(=C\c1nc(CC2CC(C)(C)C2)no1)C1CC1 ZINC000463179333 527537243 /nfs/dbraw/zinc/53/72/43/527537243.db2.gz BNXYWMGBJVDASK-UXBLZVDNSA-N 0 0 246.354 3.862 20 0 BHADRN CC(C)[C@H]1C[C@@H]1c1nc(CC2CC(C)(C)C2)no1 ZINC000463179727 388088875 /nfs/dbraw/zinc/08/88/75/388088875.db2.gz HMQONYPKAZWQKT-NEPJUHHUSA-N 0 0 248.370 3.808 20 0 BHADRN CC(C)[C@@H]1C[C@H]1c1nc(CC2CC(C)(C)C2)no1 ZINC000463179728 388089284 /nfs/dbraw/zinc/08/92/84/388089284.db2.gz HMQONYPKAZWQKT-NWDGAFQWSA-N 0 0 248.370 3.808 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1c1nc(CC2CC(C)(C)C2)no1 ZINC000463179729 388088731 /nfs/dbraw/zinc/08/87/31/388088731.db2.gz HMQONYPKAZWQKT-RYUDHWBXSA-N 0 0 248.370 3.808 20 0 BHADRN CC(C)[C@H]1C[C@H]1c1nc(CC2CC(C)(C)C2)no1 ZINC000463179730 527887377 /nfs/dbraw/zinc/88/73/77/527887377.db2.gz HMQONYPKAZWQKT-VXGBXAGGSA-N 0 0 248.370 3.808 20 0 BHADRN CC[C@@H](C)c1nc(CC2CC(C)(C)C2)no1 ZINC000463180806 388088173 /nfs/dbraw/zinc/08/81/73/388088173.db2.gz NHLDUPPEWZHXES-SECBINFHSA-N 0 0 222.332 3.562 20 0 BHADRN CC[C@H](C)c1nc(CC2CC(C)(C)C2)no1 ZINC000463180807 388088165 /nfs/dbraw/zinc/08/81/65/388088165.db2.gz NHLDUPPEWZHXES-VIFPVBQESA-N 0 0 222.332 3.562 20 0 BHADRN CC1(C)CC(Cc2noc([C@H]3C[C@@H]3C3CC3)n2)C1 ZINC000463181738 388089105 /nfs/dbraw/zinc/08/91/05/388089105.db2.gz QVKSAQSREZTWTE-NEPJUHHUSA-N 0 0 246.354 3.562 20 0 BHADRN CC1(C)CC(Cc2noc([C@@H]3C[C@H]3C3CC3)n2)C1 ZINC000463181741 388088692 /nfs/dbraw/zinc/08/86/92/388088692.db2.gz QVKSAQSREZTWTE-NWDGAFQWSA-N 0 0 246.354 3.562 20 0 BHADRN CC1(C)CC(Cc2noc([C@H]3C[C@H]3C3CC3)n2)C1 ZINC000463181743 528886272 /nfs/dbraw/zinc/88/62/72/528886272.db2.gz QVKSAQSREZTWTE-RYUDHWBXSA-N 0 0 246.354 3.562 20 0 BHADRN CC1(C)CC(Cc2noc([C@@H]3C[C@@H]3C3CC3)n2)C1 ZINC000463181745 388088832 /nfs/dbraw/zinc/08/88/32/388088832.db2.gz QVKSAQSREZTWTE-VXGBXAGGSA-N 0 0 246.354 3.562 20 0 BHADRN CC1(C)CC(Cc2noc(C[C@@H]3C=CCC3)n2)C1 ZINC000463183008 388088534 /nfs/dbraw/zinc/08/85/34/388088534.db2.gz OGNVEDDGPBQZKU-LLVKDONJSA-N 0 0 246.354 3.557 20 0 BHADRN CC1(C)CC(Cc2noc(C[C@H]3C=CCC3)n2)C1 ZINC000463183009 388088670 /nfs/dbraw/zinc/08/86/70/388088670.db2.gz OGNVEDDGPBQZKU-NSHDSACASA-N 0 0 246.354 3.557 20 0 BHADRN CC1(C)CC(Cc2noc(C3CCCC3)n2)C1 ZINC000463183415 388088686 /nfs/dbraw/zinc/08/86/86/388088686.db2.gz WIHPBDDNSURCTI-UHFFFAOYSA-N 0 0 234.343 3.706 20 0 BHADRN CC1(C)CC(Cc2noc([C@@H]3CC=CCC3)n2)C1 ZINC000463184130 388088289 /nfs/dbraw/zinc/08/82/89/388088289.db2.gz YOJXASPZOHBXOT-GFCCVEGCSA-N 0 0 246.354 3.872 20 0 BHADRN CC1(C)CC(Cc2noc([C@H]3CC=CCC3)n2)C1 ZINC000463184131 388088308 /nfs/dbraw/zinc/08/83/08/388088308.db2.gz YOJXASPZOHBXOT-LBPRGKRZSA-N 0 0 246.354 3.872 20 0 BHADRN C/C=C/C=C\c1nc(CC2CC(C)(C)C2)no1 ZINC000463185914 388088478 /nfs/dbraw/zinc/08/84/78/388088478.db2.gz YZFXUMLKWSBFQK-DEQVHDEQSA-N 0 0 232.327 3.638 20 0 BHADRN C/C=C/C=C/c1nc(CC2CC(C)(C)C2)no1 ZINC000463185919 388088134 /nfs/dbraw/zinc/08/81/34/388088134.db2.gz YZFXUMLKWSBFQK-YTXTXJHMSA-N 0 0 232.327 3.638 20 0 BHADRN CC(C)=C(F)c1nc(CC2CC(C)(C)C2)no1 ZINC000463188802 388089014 /nfs/dbraw/zinc/08/90/14/388089014.db2.gz JGCGCVOEKPJVCR-UHFFFAOYSA-N 0 0 238.306 3.769 20 0 BHADRN CC(C)(c1nc(CC2CC(C)(C)C2)no1)C1CC1 ZINC000463192989 527379900 /nfs/dbraw/zinc/37/99/00/527379900.db2.gz UTUVIFRETZPTLR-UHFFFAOYSA-N 0 0 248.370 3.736 20 0 BHADRN CCCC[C@H](CCC)Sc1ncc[nH]1 ZINC000463199791 528928119 /nfs/dbraw/zinc/92/81/19/528928119.db2.gz DRRQFNUSBCIYJJ-JTQLQIEISA-N 0 0 212.362 3.861 20 0 BHADRN CCCC[C@@H](CCC)Sc1ncc[nH]1 ZINC000463199797 388089018 /nfs/dbraw/zinc/08/90/18/388089018.db2.gz DRRQFNUSBCIYJJ-SNVBAGLBSA-N 0 0 212.362 3.861 20 0 BHADRN Cc1cc(C)c(CSc2ncc[nH]2)c(C)c1 ZINC000463202099 388088065 /nfs/dbraw/zinc/08/80/65/388088065.db2.gz NMYLXPZJAVFAIC-UHFFFAOYSA-N 0 0 232.352 3.627 20 0 BHADRN COc1ccccc1[C@H](C)SC(C)C ZINC000463203344 388089029 /nfs/dbraw/zinc/08/90/29/388089029.db2.gz PUGGKQUCVHSMAY-JTQLQIEISA-N 0 0 210.342 3.898 20 0 BHADRN COc1ccccc1[C@@H](C)SC(C)C ZINC000463203345 388089255 /nfs/dbraw/zinc/08/92/55/388089255.db2.gz PUGGKQUCVHSMAY-SNVBAGLBSA-N 0 0 210.342 3.898 20 0 BHADRN CCOC(=O)C[C@@H](C)SCCC(C)(C)CC ZINC000463206022 388088574 /nfs/dbraw/zinc/08/85/74/388088574.db2.gz WSGMQIDGDMSGII-LLVKDONJSA-N 0 0 246.416 3.888 20 0 BHADRN CCOC(=O)C[C@H](C)SCCC(C)(C)CC ZINC000463206023 388089026 /nfs/dbraw/zinc/08/90/26/388089026.db2.gz WSGMQIDGDMSGII-NSHDSACASA-N 0 0 246.416 3.888 20 0 BHADRN CCCC[C@H](CCC)S[C@@H](C)[C@H](C)O ZINC000463207259 528927514 /nfs/dbraw/zinc/92/75/14/528927514.db2.gz TYERAARMCJEWMY-SRVKXCTJSA-N 0 0 218.406 3.848 20 0 BHADRN CCCC[C@H](CCC)S[C@H](C)[C@H](C)O ZINC000463207260 528928073 /nfs/dbraw/zinc/92/80/73/528928073.db2.gz TYERAARMCJEWMY-TUAOUCFPSA-N 0 0 218.406 3.848 20 0 BHADRN CCCC[C@H](CCC)S[C@H](C)[C@@H](C)O ZINC000463207261 528927982 /nfs/dbraw/zinc/92/79/82/528927982.db2.gz TYERAARMCJEWMY-UTUOFQBUSA-N 0 0 218.406 3.848 20 0 BHADRN CCCC[C@H](CCC)S[C@@H](C)[C@@H](C)O ZINC000463207262 388088717 /nfs/dbraw/zinc/08/87/17/388088717.db2.gz TYERAARMCJEWMY-WOPDTQHZSA-N 0 0 218.406 3.848 20 0 BHADRN C[C@@H](S[C@@H](C)c1ccc(Cl)cc1)[C@H](C)O ZINC000463208742 388088352 /nfs/dbraw/zinc/08/83/52/388088352.db2.gz GMAXTFCVJKYUQW-AEJSXWLSSA-N 0 0 244.787 3.904 20 0 BHADRN C[C@H](O)[C@H](C)S[C@@H](C)c1ccc(Cl)cc1 ZINC000463208743 224957023 /nfs/dbraw/zinc/95/70/23/224957023.db2.gz GMAXTFCVJKYUQW-GUBZILKMSA-N 0 0 244.787 3.904 20 0 BHADRN CCCS[C@@H](C)c1ccccc1OC ZINC000463210820 388088416 /nfs/dbraw/zinc/08/84/16/388088416.db2.gz DWAVSUWYIPYBQI-JTQLQIEISA-N 0 0 210.342 3.899 20 0 BHADRN CCCS[C@H](C)c1ccccc1OC ZINC000463210821 388088596 /nfs/dbraw/zinc/08/85/96/388088596.db2.gz DWAVSUWYIPYBQI-SNVBAGLBSA-N 0 0 210.342 3.899 20 0 BHADRN CC(C)[C@@H](C)SCCOc1ccccc1 ZINC000463215213 388089845 /nfs/dbraw/zinc/08/98/45/388089845.db2.gz OHGCVWYOHZAKLL-GFCCVEGCSA-N 0 0 224.369 3.843 20 0 BHADRN CC(C)[C@H](C)SCCOc1ccccc1 ZINC000463215214 388089034 /nfs/dbraw/zinc/08/90/34/388089034.db2.gz OHGCVWYOHZAKLL-LBPRGKRZSA-N 0 0 224.369 3.843 20 0 BHADRN Cc1ccc2nc(CS[C@H](C)C(C)C)cn2c1 ZINC000463218263 388089747 /nfs/dbraw/zinc/08/97/47/388089747.db2.gz JDVZVQAZOJMYNV-GFCCVEGCSA-N 0 0 248.395 3.920 20 0 BHADRN Cc1ccc2nc(CS[C@@H](C)C(C)C)cn2c1 ZINC000463218264 388089899 /nfs/dbraw/zinc/08/98/99/388089899.db2.gz JDVZVQAZOJMYNV-LBPRGKRZSA-N 0 0 248.395 3.920 20 0 BHADRN C[C@@H](S[C@@H](C)c1cccc(Cl)c1)[C@H](C)O ZINC000463218914 388090078 /nfs/dbraw/zinc/09/00/78/388090078.db2.gz NNSVEVPZJCWBGZ-AEJSXWLSSA-N 0 0 244.787 3.904 20 0 BHADRN C[C@@H](O)[C@@H](C)S[C@@H](C)c1cccc(Cl)c1 ZINC000463218915 388089838 /nfs/dbraw/zinc/08/98/38/388089838.db2.gz NNSVEVPZJCWBGZ-BBBLOLIVSA-N 0 0 244.787 3.904 20 0 BHADRN C[C@H](O)[C@H](C)S[C@@H](C)c1cccc(Cl)c1 ZINC000463218916 388090242 /nfs/dbraw/zinc/09/02/42/388090242.db2.gz NNSVEVPZJCWBGZ-GUBZILKMSA-N 0 0 244.787 3.904 20 0 BHADRN C[C@@H](O)[C@H](C)S[C@@H](C)c1cccc(Cl)c1 ZINC000463218917 388090226 /nfs/dbraw/zinc/09/02/26/388090226.db2.gz NNSVEVPZJCWBGZ-UTLUCORTSA-N 0 0 244.787 3.904 20 0 BHADRN CC(C)[C@@H](C)SCCOc1ccc(F)cc1 ZINC000463218959 528422144 /nfs/dbraw/zinc/42/21/44/528422144.db2.gz NVLVTZLRLISNOR-LLVKDONJSA-N 0 0 242.359 3.982 20 0 BHADRN CC(C)[C@H](C)SCCOc1ccc(F)cc1 ZINC000463218960 384780176 /nfs/dbraw/zinc/78/01/76/384780176.db2.gz NVLVTZLRLISNOR-NSHDSACASA-N 0 0 242.359 3.982 20 0 BHADRN CC(C)[C@@H](C)SCc1nc2ccccc2n1C ZINC000463220623 388089923 /nfs/dbraw/zinc/08/99/23/388089923.db2.gz SAYDYKLOBUNHQL-LLVKDONJSA-N 0 0 248.395 3.851 20 0 BHADRN CC(C)[C@H](C)SCc1nc2ccccc2n1C ZINC000463220624 388089722 /nfs/dbraw/zinc/08/97/22/388089722.db2.gz SAYDYKLOBUNHQL-NSHDSACASA-N 0 0 248.395 3.851 20 0 BHADRN C[C@@H](O)[C@H](C)SCc1ccc2ccccc2c1 ZINC000463220932 388089759 /nfs/dbraw/zinc/08/97/59/388089759.db2.gz JBMYDIISKLMFKP-NEPJUHHUSA-N 0 0 246.375 3.842 20 0 BHADRN C[C@@H](SCc1ccc2ccccc2c1)[C@H](C)O ZINC000463220936 388090107 /nfs/dbraw/zinc/09/01/07/388090107.db2.gz JBMYDIISKLMFKP-NWDGAFQWSA-N 0 0 246.375 3.842 20 0 BHADRN C[C@H](O)[C@H](C)SCc1ccc2ccccc2c1 ZINC000463220938 388089977 /nfs/dbraw/zinc/08/99/77/388089977.db2.gz JBMYDIISKLMFKP-RYUDHWBXSA-N 0 0 246.375 3.842 20 0 BHADRN C[C@@H](O)[C@@H](C)SCc1ccc2ccccc2c1 ZINC000463220940 388089982 /nfs/dbraw/zinc/08/99/82/388089982.db2.gz JBMYDIISKLMFKP-VXGBXAGGSA-N 0 0 246.375 3.842 20 0 BHADRN CC(C)[C@@H](C)SCCOc1ccccc1F ZINC000463221802 388089695 /nfs/dbraw/zinc/08/96/95/388089695.db2.gz ILHKQQCAGGJBQV-LLVKDONJSA-N 0 0 242.359 3.982 20 0 BHADRN CC(C)[C@H](C)SCCOc1ccccc1F ZINC000463221803 388090016 /nfs/dbraw/zinc/09/00/16/388090016.db2.gz ILHKQQCAGGJBQV-NSHDSACASA-N 0 0 242.359 3.982 20 0 BHADRN Cc1cccn2cc(CS[C@H](C)C(C)C)nc12 ZINC000463225553 388089930 /nfs/dbraw/zinc/08/99/30/388089930.db2.gz ZVYYAWNATJKVBI-GFCCVEGCSA-N 0 0 248.395 3.920 20 0 BHADRN Cc1cccn2cc(CS[C@@H](C)C(C)C)nc12 ZINC000463225554 224956905 /nfs/dbraw/zinc/95/69/05/224956905.db2.gz ZVYYAWNATJKVBI-LBPRGKRZSA-N 0 0 248.395 3.920 20 0 BHADRN CC(C)[C@@H](C)SCCCOCC(F)(F)F ZINC000463226906 388090189 /nfs/dbraw/zinc/09/01/89/388090189.db2.gz NTZLHQHYEXPWNP-SECBINFHSA-N 0 0 244.322 3.733 20 0 BHADRN CC(C)[C@H](C)SCCCOCC(F)(F)F ZINC000463226907 528973368 /nfs/dbraw/zinc/97/33/68/528973368.db2.gz NTZLHQHYEXPWNP-VIFPVBQESA-N 0 0 244.322 3.733 20 0 BHADRN CCCCN(CC)C(=O)CCCC1CCCC1 ZINC000463227351 388089494 /nfs/dbraw/zinc/08/94/94/388089494.db2.gz RHOITVRABMRILK-UHFFFAOYSA-N 0 0 239.403 3.996 20 0 BHADRN CC(C)[C@H](C)SCc1nc2ccccc2[nH]1 ZINC000463228912 388089945 /nfs/dbraw/zinc/08/99/45/388089945.db2.gz GWCRYOQQECSVMO-JTQLQIEISA-N 0 0 234.368 3.841 20 0 BHADRN CC(C)[C@@H](C)SCc1nc2ccccc2[nH]1 ZINC000463228913 388089807 /nfs/dbraw/zinc/08/98/07/388089807.db2.gz GWCRYOQQECSVMO-SNVBAGLBSA-N 0 0 234.368 3.841 20 0 BHADRN CC(C)[C@H](C)SCc1ccc2c(c1)OCO2 ZINC000463229370 388090207 /nfs/dbraw/zinc/09/02/07/388090207.db2.gz NWZDIOJKBZIOFY-JTQLQIEISA-N 0 0 238.352 3.693 20 0 BHADRN CC(C)[C@@H](C)SCc1ccc2c(c1)OCO2 ZINC000463229372 388090326 /nfs/dbraw/zinc/09/03/26/388090326.db2.gz NWZDIOJKBZIOFY-SNVBAGLBSA-N 0 0 238.352 3.693 20 0 BHADRN CC(C)[C@@H](C)SCCOc1cccc(F)c1 ZINC000463229377 388089949 /nfs/dbraw/zinc/08/99/49/388089949.db2.gz CXPKBWMAHOAVJU-LLVKDONJSA-N 0 0 242.359 3.982 20 0 BHADRN CC(C)[C@H](C)SCCOc1cccc(F)c1 ZINC000463229378 388089517 /nfs/dbraw/zinc/08/95/17/388089517.db2.gz CXPKBWMAHOAVJU-NSHDSACASA-N 0 0 242.359 3.982 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N(CC)C1CCCCC1 ZINC000463230845 527842766 /nfs/dbraw/zinc/84/27/66/527842766.db2.gz RAWSDBJBJXUZQA-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)CCOCCS[C@H](C)C(C)C ZINC000463233272 527759843 /nfs/dbraw/zinc/75/98/43/527759843.db2.gz BGBMRCMTDJNPLO-GFCCVEGCSA-N 0 0 218.406 3.827 20 0 BHADRN CC(C)CCOCCS[C@@H](C)C(C)C ZINC000463233273 388090330 /nfs/dbraw/zinc/09/03/30/388090330.db2.gz BGBMRCMTDJNPLO-LBPRGKRZSA-N 0 0 218.406 3.827 20 0 BHADRN Cc1nc2ccccn2c1CS[C@H](C)C(C)C ZINC000463233606 224956733 /nfs/dbraw/zinc/95/67/33/224956733.db2.gz CVRITSUIBKJPMK-GFCCVEGCSA-N 0 0 248.395 3.920 20 0 BHADRN Cc1nc2ccccn2c1CS[C@@H](C)C(C)C ZINC000463233607 388089628 /nfs/dbraw/zinc/08/96/28/388089628.db2.gz CVRITSUIBKJPMK-LBPRGKRZSA-N 0 0 248.395 3.920 20 0 BHADRN CC(C)CCNC(=O)CCCC1CCCC1 ZINC000463234224 323088841 /nfs/dbraw/zinc/08/88/41/323088841.db2.gz AAHDBHVFYUWTKO-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN 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DKTPBWQZCRGURF-UHFFFAOYSA-N 0 0 247.285 3.993 20 0 BHADRN CCCCCNC(=O)CCCC1CCCC1 ZINC000463249326 528191967 /nfs/dbraw/zinc/19/19/67/528191967.db2.gz TWGRNXDPNUUTLG-UHFFFAOYSA-N 0 0 225.376 3.653 20 0 BHADRN CCC(C)(C)CCSc1ncc(C)cn1 ZINC000463249656 388089770 /nfs/dbraw/zinc/08/97/70/388089770.db2.gz GRBZFRGRINHJCW-UHFFFAOYSA-N 0 0 224.373 3.703 20 0 BHADRN Cc1cc(F)cc(C(=O)Nc2ccccc2C)c1 ZINC000463251346 224958030 /nfs/dbraw/zinc/95/80/30/224958030.db2.gz DYNTUCXSHHYEOQ-UHFFFAOYSA-N 0 0 243.281 3.695 20 0 BHADRN CC(C)CCN(CCC(C)C)C(=O)C1(C)CC1 ZINC000463253600 527717126 /nfs/dbraw/zinc/71/71/26/527717126.db2.gz AZYDKFROVZRAFF-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN COC[C@@H](C)Sc1ccc(C(C)C)cc1 ZINC000463253931 388089679 /nfs/dbraw/zinc/08/96/79/388089679.db2.gz HMUQWTDDKZZDIE-LLVKDONJSA-N 0 0 224.369 3.937 20 0 BHADRN COC[C@H](C)Sc1ccc(C(C)C)cc1 ZINC000463253932 388089891 /nfs/dbraw/zinc/08/98/91/388089891.db2.gz HMUQWTDDKZZDIE-NSHDSACASA-N 0 0 224.369 3.937 20 0 BHADRN 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214.280 3.857 20 0 BHADRN FC(F)(F)c1ccccc1OCC1CCC1 ZINC000463271128 361983266 /nfs/dbraw/zinc/98/32/66/361983266.db2.gz IPTKILQPGLKFJC-UHFFFAOYSA-N 0 0 230.229 3.884 20 0 BHADRN CCCC[C@@H](SC(CC)CC)C(=O)OC ZINC000463280137 324150937 /nfs/dbraw/zinc/15/09/37/324150937.db2.gz RMHOFDHDDVNONP-LLVKDONJSA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@H](SC(CC)CC)C(=O)OC ZINC000463280138 324150878 /nfs/dbraw/zinc/15/08/78/324150878.db2.gz RMHOFDHDDVNONP-NSHDSACASA-N 0 0 232.389 3.640 20 0 BHADRN CCC(C)(C)CCOc1nc(C(C)(C)C)no1 ZINC000463281321 361982732 /nfs/dbraw/zinc/98/27/32/361982732.db2.gz UXOFBWFCTPSEHT-UHFFFAOYSA-N 0 0 240.347 3.572 20 0 BHADRN Cc1ccc(C)c(NCCCC2CCOCC2)c1 ZINC000463286080 324150954 /nfs/dbraw/zinc/15/09/54/324150954.db2.gz KPJOCYAHSVMOGO-UHFFFAOYSA-N 0 0 247.382 3.922 20 0 BHADRN Cc1cc(C)cc(NCCCC2CCOCC2)c1 ZINC000463286753 398012914 /nfs/dbraw/zinc/01/29/14/398012914.db2.gz LGLJCLQKOODJDC-UHFFFAOYSA-N 0 0 247.382 3.922 20 0 BHADRN Cc1ccc(NCCCC2CCOCC2)cc1C ZINC000463288640 398012857 /nfs/dbraw/zinc/01/28/57/398012857.db2.gz NAWNNOIDYQVJBW-UHFFFAOYSA-N 0 0 247.382 3.922 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N(CC)c1ccc(F)cc1 ZINC000463290517 398012841 /nfs/dbraw/zinc/01/28/41/398012841.db2.gz KCAJHJRXLXVRCS-BXUZGUMPSA-N 0 0 249.329 3.615 20 0 BHADRN CCc1ccc(NCCCC2CCOCC2)cc1 ZINC000463291181 398012897 /nfs/dbraw/zinc/01/28/97/398012897.db2.gz ZEQQIXLKMXBWIJ-UHFFFAOYSA-N 0 0 247.382 3.868 20 0 BHADRN CCC[C@](C)(CC)C(=O)N(C)C1CCCC1 ZINC000463291249 398012756 /nfs/dbraw/zinc/01/27/56/398012756.db2.gz NBDREQBCIHXXQO-AWEZNQCLSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N(C)C1CCCC1 ZINC000463291250 398012706 /nfs/dbraw/zinc/01/27/06/398012706.db2.gz NBDREQBCIHXXQO-CQSZACIVSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1cccc(NCCCC2CCOCC2)c1C ZINC000463298654 398012493 /nfs/dbraw/zinc/01/24/93/398012493.db2.gz FFZLACGYDRDLIP-UHFFFAOYSA-N 0 0 247.382 3.922 20 0 BHADRN CCc1ccccc1NCCCC1CCOCC1 ZINC000463302016 398012903 /nfs/dbraw/zinc/01/29/03/398012903.db2.gz NTMMNBMJBDSHOO-UHFFFAOYSA-N 0 0 247.382 3.868 20 0 BHADRN CCC(CC)C(=O)N(CC(C)C)C1CCCC1 ZINC000463315347 398014051 /nfs/dbraw/zinc/01/40/51/398014051.db2.gz FYUQTBKDJSDWHW-UHFFFAOYSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)CC1CCC1 ZINC000463318299 398013913 /nfs/dbraw/zinc/01/39/13/398013913.db2.gz GKUUQJDEMPPGRR-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC[C@H](CC)CNC(=O)CC1CCC1 ZINC000463318300 398014028 /nfs/dbraw/zinc/01/40/28/398014028.db2.gz GKUUQJDEMPPGRR-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)CC2CCC2)c(C)c1 ZINC000463320393 398013972 /nfs/dbraw/zinc/01/39/72/398013972.db2.gz NGTNXGHIGFHCGV-CYBMUJFWSA-N 0 0 245.366 3.671 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)CC2CCC2)c(C)c1 ZINC000463320394 398013816 /nfs/dbraw/zinc/01/38/16/398013816.db2.gz NGTNXGHIGFHCGV-ZDUSSCGKSA-N 0 0 245.366 3.671 20 0 BHADRN CC(C)c1ccc(CNC(=O)CC2CCC2)cc1 ZINC000463321180 398013954 /nfs/dbraw/zinc/01/39/54/398013954.db2.gz QJZQLPPMDNGPPE-UHFFFAOYSA-N 0 0 245.366 3.616 20 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CCN(C(=O)C[C@H]1C[C@H]1C)c1cccc(C)c1C ZINC000463343527 388091495 /nfs/dbraw/zinc/09/14/95/388091495.db2.gz CNBKPWRPMOJVQK-TZMCWYRMSA-N 0 0 245.366 3.702 20 0 BHADRN CCC(CC)C(=O)N(CC)c1cccc(F)c1 ZINC000463344010 388091491 /nfs/dbraw/zinc/09/14/91/388091491.db2.gz GQFADOSOSKHPAH-UHFFFAOYSA-N 0 0 237.318 3.615 20 0 BHADRN CCCCCN1CCn2c(cc3ccccc32)C1 ZINC000463345592 388091720 /nfs/dbraw/zinc/09/17/20/388091720.db2.gz NYBGTUHJKYHYHH-UHFFFAOYSA-N 0 0 242.366 3.647 20 0 BHADRN CCCCCN(C(=O)C(CC)CC)C(C)C ZINC000463347005 388091736 /nfs/dbraw/zinc/09/17/36/388091736.db2.gz ZVCYGNAMBGXFBT-UHFFFAOYSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(CCCC)C1CC1 ZINC000463348155 388091355 /nfs/dbraw/zinc/09/13/55/388091355.db2.gz FYIUNGIAPNLWNB-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@H](CC)C(=O)N(CCCC)C1CC1 ZINC000463348156 259506023 /nfs/dbraw/zinc/50/60/23/259506023.db2.gz FYIUNGIAPNLWNB-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCN(C(=O)C[C@@H]1C[C@@H]1C)c1cc(C)cc(C)c1 ZINC000463348267 388091246 /nfs/dbraw/zinc/09/12/46/388091246.db2.gz JJEVWAYILHJUNO-KBPBESRZSA-N 0 0 245.366 3.702 20 0 BHADRN CCN(C(=O)C[C@@H]1C[C@H]1C)c1cc(C)cc(C)c1 ZINC000463348268 388091201 /nfs/dbraw/zinc/09/12/01/388091201.db2.gz JJEVWAYILHJUNO-KGLIPLIRSA-N 0 0 245.366 3.702 20 0 BHADRN CCN(C(=O)C[C@H]1C[C@@H]1C)c1cc(C)cc(C)c1 ZINC000463348269 388090983 /nfs/dbraw/zinc/09/09/83/388090983.db2.gz JJEVWAYILHJUNO-UONOGXRCSA-N 0 0 245.366 3.702 20 0 BHADRN CCN(C(=O)C[C@H]1C[C@H]1C)c1cc(C)cc(C)c1 ZINC000463348270 388090963 /nfs/dbraw/zinc/09/09/63/388090963.db2.gz JJEVWAYILHJUNO-ZIAGYGMSSA-N 0 0 245.366 3.702 20 0 BHADRN CCN(C(=O)C[C@@H]1C[C@@H]1C)c1cc(C)ccc1C ZINC000463349094 388091388 /nfs/dbraw/zinc/09/13/88/388091388.db2.gz PLCZLVXVZQFPCM-KBPBESRZSA-N 0 0 245.366 3.702 20 0 BHADRN CCN(C(=O)C[C@@H]1C[C@H]1C)c1cc(C)ccc1C ZINC000463349095 398013948 /nfs/dbraw/zinc/01/39/48/398013948.db2.gz PLCZLVXVZQFPCM-KGLIPLIRSA-N 0 0 245.366 3.702 20 0 BHADRN CCN(C(=O)C[C@H]1C[C@@H]1C)c1cc(C)ccc1C ZINC000463349096 398013791 /nfs/dbraw/zinc/01/37/91/398013791.db2.gz PLCZLVXVZQFPCM-UONOGXRCSA-N 0 0 245.366 3.702 20 0 BHADRN CCN(C(=O)C[C@H]1C[C@H]1C)c1cc(C)ccc1C ZINC000463349097 398014066 /nfs/dbraw/zinc/01/40/66/398014066.db2.gz PLCZLVXVZQFPCM-ZIAGYGMSSA-N 0 0 245.366 3.702 20 0 BHADRN O=C(CC1CCC1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000463349534 259505546 /nfs/dbraw/zinc/50/55/46/259505546.db2.gz CEKSYPDPEAONPQ-QLFBSQMISA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CC1CCC1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000463349535 259505552 /nfs/dbraw/zinc/50/55/52/259505552.db2.gz CEKSYPDPEAONPQ-RBSFLKMASA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CC1CCC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000463349536 388091484 /nfs/dbraw/zinc/09/14/84/388091484.db2.gz CEKSYPDPEAONPQ-RRFJBIMHSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CC1CCC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000463349537 388091637 /nfs/dbraw/zinc/09/16/37/388091637.db2.gz CEKSYPDPEAONPQ-SOUVJXGZSA-N 0 0 249.398 3.652 20 0 BHADRN CCCCCN(C(=O)[C@@H]1C[C@H]1CCC)C(C)C ZINC000463350955 388091713 /nfs/dbraw/zinc/09/17/13/388091713.db2.gz YAJDOOQJDUHNNM-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCN(C(=O)C(CC)CC)[C@H](C)CC ZINC000463357712 388090891 /nfs/dbraw/zinc/09/08/91/388090891.db2.gz MTVUPGNWXJPGBB-GFCCVEGCSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCN(C(=O)C(CC)CC)[C@@H](C)CC ZINC000463357713 388090931 /nfs/dbraw/zinc/09/09/31/388090931.db2.gz MTVUPGNWXJPGBB-LBPRGKRZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCN(C(=O)[C@@H]1C[C@H]1CCC)[C@@H](C)CC ZINC000463359502 388090922 /nfs/dbraw/zinc/09/09/22/388090922.db2.gz VOENUURDIJDUQM-BFHYXJOUSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCN(C(=O)[C@@H]1C[C@H]1CCC)[C@H](C)CC ZINC000463359503 388091481 /nfs/dbraw/zinc/09/14/81/388091481.db2.gz VOENUURDIJDUQM-MGPQQGTHSA-N 0 0 239.403 3.850 20 0 BHADRN O=C(CC1CCC1)Nc1cccc2c1CCCC2 ZINC000463363568 388091070 /nfs/dbraw/zinc/09/10/70/388091070.db2.gz YMBSHYQTGWINLF-UHFFFAOYSA-N 0 0 243.350 3.694 20 0 BHADRN CCC(CC)C(=O)N(C(C)C)C1CCCC1 ZINC000463381493 388091777 /nfs/dbraw/zinc/09/17/77/388091777.db2.gz MPIHHNCJIWCUAE-UHFFFAOYSA-N 0 0 225.376 3.602 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N(C(C)C)C1CCCC1 ZINC000463381734 388091440 /nfs/dbraw/zinc/09/14/40/388091440.db2.gz ODDBCJIXBIPALL-TZMCWYRMSA-N 0 0 237.387 3.602 20 0 BHADRN CCC(CC)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000463385286 259506016 /nfs/dbraw/zinc/50/60/16/259506016.db2.gz RJZOWCLHUKHECI-CYBMUJFWSA-N 0 0 247.382 3.951 20 0 BHADRN CCC(CC)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000463385287 388091264 /nfs/dbraw/zinc/09/12/64/388091264.db2.gz RJZOWCLHUKHECI-ZDUSSCGKSA-N 0 0 247.382 3.951 20 0 BHADRN CCC(CC)C(=O)N1CCCc2cc(F)ccc21 ZINC000463385673 388091060 /nfs/dbraw/zinc/09/10/60/388091060.db2.gz AQUDIHGBJXMMQN-UHFFFAOYSA-N 0 0 249.329 3.541 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(C(C)C)C1CC1 ZINC000463386584 388091283 /nfs/dbraw/zinc/09/12/83/388091283.db2.gz XCWSVKDZJWTVFQ-GFCCVEGCSA-N 0 0 225.376 3.602 20 0 BHADRN CCCC[C@H](CC)C(=O)N(C(C)C)C1CC1 ZINC000463386587 388090978 /nfs/dbraw/zinc/09/09/78/388090978.db2.gz XCWSVKDZJWTVFQ-LBPRGKRZSA-N 0 0 225.376 3.602 20 0 BHADRN CCC(CC)C(=O)N(CC)c1ccccc1F ZINC000463388760 388091664 /nfs/dbraw/zinc/09/16/64/388091664.db2.gz JSDPYBWXANVMAR-UHFFFAOYSA-N 0 0 237.318 3.615 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(CC(C)C)C1CC1 ZINC000463389109 388091096 /nfs/dbraw/zinc/09/10/96/388091096.db2.gz IOSCQTZEXVMJAI-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](CC)C(=O)N(CC(C)C)C1CC1 ZINC000463389110 388090877 /nfs/dbraw/zinc/09/08/77/388090877.db2.gz IOSCQTZEXVMJAI-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N(CC)c1cccc(C)c1 ZINC000463389826 259505500 /nfs/dbraw/zinc/50/55/00/259505500.db2.gz MGALJFUBZYCUNM-UKRRQHHQSA-N 0 0 245.366 3.784 20 0 BHADRN CCC(CC)C(=O)N1CCCCc2ccccc21 ZINC000463390455 388090981 /nfs/dbraw/zinc/09/09/81/388090981.db2.gz HYWJCRXHUVYRQN-UHFFFAOYSA-N 0 0 245.366 3.792 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N(CC)c1ccccc1F ZINC000463390554 388091280 /nfs/dbraw/zinc/09/12/80/388091280.db2.gz NNDIKEOWNKFQAJ-VXGBXAGGSA-N 0 0 249.329 3.615 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000463398068 388090841 /nfs/dbraw/zinc/09/08/41/388090841.db2.gz PCGPGJBEUKXZQV-CHWSQXEVSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(CC)C(=O)N[C@H]1CCCC[C@H]1CC ZINC000463398069 388090936 /nfs/dbraw/zinc/09/09/36/388090936.db2.gz PCGPGJBEUKXZQV-OLZOCXBDSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000463398070 388091188 /nfs/dbraw/zinc/09/11/88/388091188.db2.gz PCGPGJBEUKXZQV-QWHCGFSZSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(CC)C(=O)N[C@H]1CCCC[C@@H]1CC ZINC000463398071 388091150 /nfs/dbraw/zinc/09/11/50/388091150.db2.gz PCGPGJBEUKXZQV-STQMWFEESA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCCNC(=O)CCCC1CCCC1 ZINC000463402154 388091313 /nfs/dbraw/zinc/09/13/13/388091313.db2.gz AQTISQWNALMSOJ-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N(CC(C)C)CC(C)C ZINC000463408734 388091499 /nfs/dbraw/zinc/09/14/99/388091499.db2.gz GJTASRFJZDFYQB-ZIAGYGMSSA-N 0 0 239.403 3.563 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)CC2CCC2)cc1C ZINC000463415275 388091205 /nfs/dbraw/zinc/09/12/05/388091205.db2.gz PDHULURJMAXNQZ-CYBMUJFWSA-N 0 0 245.366 3.671 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)CC2CCC2)cc1C ZINC000463415276 388091259 /nfs/dbraw/zinc/09/12/59/388091259.db2.gz PDHULURJMAXNQZ-ZDUSSCGKSA-N 0 0 245.366 3.671 20 0 BHADRN CCCN(CC)C(=O)[C@H](c1ccccc1)C(C)C ZINC000463421028 388091728 /nfs/dbraw/zinc/09/17/28/388091728.db2.gz XEAINZZGRGDRAG-HNNXBMFYSA-N 0 0 247.382 3.685 20 0 BHADRN CCCN(CC)C(=O)[C@@H](c1ccccc1)C(C)C ZINC000463421029 388091555 /nfs/dbraw/zinc/09/15/55/388091555.db2.gz XEAINZZGRGDRAG-OAHLLOKOSA-N 0 0 247.382 3.685 20 0 BHADRN CCCN(CC)C(=O)CCCC1CCCC1 ZINC000463421573 388091794 /nfs/dbraw/zinc/09/17/94/388091794.db2.gz KRYBNCAEBIRNCD-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CCC[C@@H](C)N1CCn2c(cc3ccccc32)C1 ZINC000463423616 388090886 /nfs/dbraw/zinc/09/08/86/388090886.db2.gz HPWSERHDLLISHS-CYBMUJFWSA-N 0 0 242.366 3.646 20 0 BHADRN CCC[C@H](C)N1CCn2c(cc3ccccc32)C1 ZINC000463423617 388091002 /nfs/dbraw/zinc/09/10/02/388091002.db2.gz HPWSERHDLLISHS-ZDUSSCGKSA-N 0 0 242.366 3.646 20 0 BHADRN CC(C)CN(C)C(=O)[C@H](c1ccccc1)C(C)C ZINC000463423835 388090873 /nfs/dbraw/zinc/09/08/73/388090873.db2.gz IOGZVSCDVJCXTM-HNNXBMFYSA-N 0 0 247.382 3.541 20 0 BHADRN CC(C)CN(C)C(=O)[C@@H](c1ccccc1)C(C)C ZINC000463423837 388091074 /nfs/dbraw/zinc/09/10/74/388091074.db2.gz IOGZVSCDVJCXTM-OAHLLOKOSA-N 0 0 247.382 3.541 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000463453615 533719889 /nfs/dbraw/zinc/71/98/89/533719889.db2.gz GXNYKXYCZFFVAV-CHWSQXEVSA-N 0 0 247.382 3.936 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000463453616 533720155 /nfs/dbraw/zinc/72/01/55/533720155.db2.gz GXNYKXYCZFFVAV-OLZOCXBDSA-N 0 0 247.382 3.936 20 0 BHADRN C[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)c1ccccc1 ZINC000463453617 533238968 /nfs/dbraw/zinc/23/89/68/533238968.db2.gz GXNYKXYCZFFVAV-QWHCGFSZSA-N 0 0 247.382 3.936 20 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CC[C@@H]1CCCN1C(=O)CCCC1CCCC1 ZINC000463478528 529300171 /nfs/dbraw/zinc/30/01/71/529300171.db2.gz KRZCWLDAYNPULD-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCCC[C@H]1CCC[C@@H]1NC(=O)CC1CCC1 ZINC000463482195 529000952 /nfs/dbraw/zinc/00/09/52/529000952.db2.gz AMLGEBHBPYSVRD-KBPBESRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)CC1CCC1 ZINC000463482196 528866042 /nfs/dbraw/zinc/86/60/42/528866042.db2.gz AMLGEBHBPYSVRD-KGLIPLIRSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@H]1CCC[C@H]1NC(=O)CC1CCC1 ZINC000463482197 529004480 /nfs/dbraw/zinc/00/44/80/529004480.db2.gz AMLGEBHBPYSVRD-UONOGXRCSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)CC1CCC1 ZINC000463482198 528871566 /nfs/dbraw/zinc/87/15/66/528871566.db2.gz AMLGEBHBPYSVRD-ZIAGYGMSSA-N 0 0 237.387 3.652 20 0 BHADRN CCCN(c1nc2cc(C)ccc2o1)C1CC1 ZINC000463494740 528160500 /nfs/dbraw/zinc/16/05/00/528160500.db2.gz ALMPMTBLSVRSRI-UHFFFAOYSA-N 0 0 230.311 3.515 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000463501802 533718191 /nfs/dbraw/zinc/71/81/91/533718191.db2.gz OSBKMFRIZNIRGP-FRRDWIJNSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000463501803 533718650 /nfs/dbraw/zinc/71/86/50/533718650.db2.gz OSBKMFRIZNIRGP-JHJVBQTASA-N 0 0 239.403 3.563 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000463501804 533463149 /nfs/dbraw/zinc/46/31/49/533463149.db2.gz OSBKMFRIZNIRGP-UPJWGTAASA-N 0 0 239.403 3.563 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000463501805 533463336 /nfs/dbraw/zinc/46/33/36/533463336.db2.gz OSBKMFRIZNIRGP-XQQFMLRXSA-N 0 0 239.403 3.563 20 0 BHADRN CN(CC(C)(C)C)C(=O)CCCC1CCCC1 ZINC000463538652 529843696 /nfs/dbraw/zinc/84/36/96/529843696.db2.gz BSTSXRCDCQTHLG-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)N(C(=O)C[C@H]1C[C@H]1C)C1CCCCC1 ZINC000463593115 528775880 /nfs/dbraw/zinc/77/58/80/528775880.db2.gz GDTPECKEEISFPQ-CHWSQXEVSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)C[C@@H]1C[C@H]1C)C1CCCCC1 ZINC000463593118 528774437 /nfs/dbraw/zinc/77/44/37/528774437.db2.gz GDTPECKEEISFPQ-OLZOCXBDSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)C[C@H]1C[C@@H]1C)C1CCCCC1 ZINC000463593120 528775731 /nfs/dbraw/zinc/77/57/31/528775731.db2.gz GDTPECKEEISFPQ-QWHCGFSZSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)C[C@@H]1C[C@@H]1C)C1CCCCC1 ZINC000463593123 528773847 /nfs/dbraw/zinc/77/38/47/528773847.db2.gz GDTPECKEEISFPQ-STQMWFEESA-N 0 0 237.387 3.602 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)NC1(C)CCC(C)CC1 ZINC000463598045 527846196 /nfs/dbraw/zinc/84/61/96/527846196.db2.gz OLPGCDHCJYNCPH-DNCHLWJUSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)C(=O)N(C(C)C)C1CCCCC1 ZINC000463601846 528717457 /nfs/dbraw/zinc/71/74/57/528717457.db2.gz UPFOPQBBKWLJGI-UHFFFAOYSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC[C@@H](CC)C(=O)NC(C)(C)CCC ZINC000463612495 528767609 /nfs/dbraw/zinc/76/76/09/528767609.db2.gz NDQOSHAEYYREJP-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCC[C@H](CC)C(=O)NC(C)(C)CCC ZINC000463612496 528899558 /nfs/dbraw/zinc/89/95/58/528899558.db2.gz NDQOSHAEYYREJP-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCC(CC)C(=O)NC1(C)CCC(C)CC1 ZINC000463617985 528722711 /nfs/dbraw/zinc/72/27/11/528722711.db2.gz ZUIGYPSTOBQZHT-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN O=C(CCCC1CCCC1)NC[C@H]1CC=CCC1 ZINC000463663441 229177408 /nfs/dbraw/zinc/17/74/08/229177408.db2.gz LSOXICIDKKHSEY-HNNXBMFYSA-N 0 0 249.398 3.819 20 0 BHADRN O=C(CCCC1CCCC1)NC[C@@H]1CC=CCC1 ZINC000463663443 229177393 /nfs/dbraw/zinc/17/73/93/229177393.db2.gz LSOXICIDKKHSEY-OAHLLOKOSA-N 0 0 249.398 3.819 20 0 BHADRN CC1(NC(=O)CCCC2CCCC2)CCCC1 ZINC000463663706 528020358 /nfs/dbraw/zinc/02/03/58/528020358.db2.gz WYJSRPMZVXBCDV-UHFFFAOYSA-N 0 0 237.387 3.796 20 0 BHADRN CCC(C)(C)N(C)C(=O)CCCC1CCCC1 ZINC000463666491 528536377 /nfs/dbraw/zinc/53/63/77/528536377.db2.gz PZKVZDBEMFQBMZ-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1 ZINC000463670403 533715149 /nfs/dbraw/zinc/71/51/49/533715149.db2.gz QSTAHVQQVUFZJD-CYBMUJFWSA-N 0 0 247.382 3.717 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1 ZINC000463670404 533462288 /nfs/dbraw/zinc/46/22/88/533462288.db2.gz QSTAHVQQVUFZJD-ZDUSSCGKSA-N 0 0 247.382 3.717 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@H]1CCCC1(C)C ZINC000463675434 529271291 /nfs/dbraw/zinc/27/12/91/529271291.db2.gz FQAXIBWNCXCPSN-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC1(C)C ZINC000463675435 529271307 /nfs/dbraw/zinc/27/13/07/529271307.db2.gz FQAXIBWNCXCPSN-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCCN1C(=O)[C@H]1CCCC1(C)C ZINC000463675436 529200009 /nfs/dbraw/zinc/20/00/09/529200009.db2.gz FQAXIBWNCXCPSN-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC1(C)C ZINC000463675437 529199245 /nfs/dbraw/zinc/19/92/45/529199245.db2.gz FQAXIBWNCXCPSN-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CCC(C)(C)CC[S@](=O)C1CCCCC1 ZINC000463676842 528505986 /nfs/dbraw/zinc/50/59/86/528505986.db2.gz FLUOKNYTDWVCFI-HNNXBMFYSA-N 0 0 230.417 3.894 20 0 BHADRN CCC(C)(C)CC[S@@](=O)C1CCCCC1 ZINC000463676843 528505907 /nfs/dbraw/zinc/50/59/07/528505907.db2.gz FLUOKNYTDWVCFI-OAHLLOKOSA-N 0 0 230.417 3.894 20 0 BHADRN CCN(C(=O)CCCC1CCCC1)C1CCC1 ZINC000463678555 528939354 /nfs/dbraw/zinc/93/93/54/528939354.db2.gz LBBYVAGHMMLCNJ-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN C[C@H]1C[C@@H]1CC(=O)N(CC1CC1)C1CCCCC1 ZINC000463695723 229177157 /nfs/dbraw/zinc/17/71/57/229177157.db2.gz GRJQHBIDTCCBBH-GXTWGEPZSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1C[C@H]1CC(=O)N(CC1CC1)C1CCCCC1 ZINC000463695724 229177380 /nfs/dbraw/zinc/17/73/80/229177380.db2.gz GRJQHBIDTCCBBH-JSGCOSHPSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1C[C@H]1CC(=O)N(CC1CC1)C1CCCCC1 ZINC000463695725 534011700 /nfs/dbraw/zinc/01/17/00/534011700.db2.gz GRJQHBIDTCCBBH-OCCSQVGLSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1C[C@@H]1CC(=O)N(CC1CC1)C1CCCCC1 ZINC000463695726 229177496 /nfs/dbraw/zinc/17/74/96/229177496.db2.gz GRJQHBIDTCCBBH-TZMCWYRMSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(C)(C)CC[S@](=O)c1cccc(C)c1 ZINC000463702803 528506326 /nfs/dbraw/zinc/50/63/26/528506326.db2.gz BYWQDSNZRLZLFJ-INIZCTEOSA-N 0 0 238.396 3.929 20 0 BHADRN CCC(C)(C)CC[S@@](=O)c1cccc(C)c1 ZINC000463702804 528505993 /nfs/dbraw/zinc/50/59/93/528505993.db2.gz BYWQDSNZRLZLFJ-MRXNPFEDSA-N 0 0 238.396 3.929 20 0 BHADRN CCC(C)(C)CC[S@](=O)c1ccc(C)cc1 ZINC000463705640 388092517 /nfs/dbraw/zinc/09/25/17/388092517.db2.gz MIFSMEXDSRWDNM-INIZCTEOSA-N 0 0 238.396 3.929 20 0 BHADRN CCC(C)(C)CC[S@@](=O)c1ccc(C)cc1 ZINC000463705641 388092920 /nfs/dbraw/zinc/09/29/20/388092920.db2.gz MIFSMEXDSRWDNM-MRXNPFEDSA-N 0 0 238.396 3.929 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(CC)c1cccnc1 ZINC000463708586 528765738 /nfs/dbraw/zinc/76/57/38/528765738.db2.gz RYHFGTWSXPBJEX-CYBMUJFWSA-N 0 0 248.370 3.651 20 0 BHADRN CCCC[C@H](CC)C(=O)N(CC)c1cccnc1 ZINC000463708587 528897761 /nfs/dbraw/zinc/89/77/61/528897761.db2.gz RYHFGTWSXPBJEX-ZDUSSCGKSA-N 0 0 248.370 3.651 20 0 BHADRN CCCC[C@H]1CCC[C@@H]1NC(=O)C(CC)CC ZINC000463709041 529000047 /nfs/dbraw/zinc/00/00/47/529000047.db2.gz KECHSFQCAOCITI-KBPBESRZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)C(CC)CC ZINC000463709044 528865692 /nfs/dbraw/zinc/86/56/92/528865692.db2.gz KECHSFQCAOCITI-KGLIPLIRSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H]1CCC[C@H]1NC(=O)C(CC)CC ZINC000463709046 388092400 /nfs/dbraw/zinc/09/24/00/388092400.db2.gz KECHSFQCAOCITI-UONOGXRCSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)C(CC)CC ZINC000463709051 388092784 /nfs/dbraw/zinc/09/27/84/388092784.db2.gz KECHSFQCAOCITI-ZIAGYGMSSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1cccc(N(C(=O)C[C@@H]2C[C@@H]2C)C(C)C)c1 ZINC000463727087 388092841 /nfs/dbraw/zinc/09/28/41/388092841.db2.gz XQMLUKXOYPYELK-KBPBESRZSA-N 0 0 245.366 3.783 20 0 BHADRN Cc1cccc(N(C(=O)C[C@@H]2C[C@H]2C)C(C)C)c1 ZINC000463727088 388092049 /nfs/dbraw/zinc/09/20/49/388092049.db2.gz XQMLUKXOYPYELK-KGLIPLIRSA-N 0 0 245.366 3.783 20 0 BHADRN Cc1cccc(N(C(=O)C[C@H]2C[C@@H]2C)C(C)C)c1 ZINC000463727089 224959570 /nfs/dbraw/zinc/95/95/70/224959570.db2.gz XQMLUKXOYPYELK-UONOGXRCSA-N 0 0 245.366 3.783 20 0 BHADRN Cc1cccc(N(C(=O)C[C@H]2C[C@H]2C)C(C)C)c1 ZINC000463727090 388092489 /nfs/dbraw/zinc/09/24/89/388092489.db2.gz XQMLUKXOYPYELK-ZIAGYGMSSA-N 0 0 245.366 3.783 20 0 BHADRN C[C@H]1CCCC[C@@H]1CCNC(=O)CC1CCC1 ZINC000463730732 388092365 /nfs/dbraw/zinc/09/23/65/388092365.db2.gz PNVGWZPTURANQO-GXTWGEPZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H]1CCCC[C@H]1CCNC(=O)CC1CCC1 ZINC000463730733 388092604 /nfs/dbraw/zinc/09/26/04/388092604.db2.gz PNVGWZPTURANQO-JSGCOSHPSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H]1CCCC[C@H]1CCNC(=O)CC1CCC1 ZINC000463730734 388092558 /nfs/dbraw/zinc/09/25/58/388092558.db2.gz PNVGWZPTURANQO-OCCSQVGLSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CCNC(=O)CC1CCC1 ZINC000463730735 388092874 /nfs/dbraw/zinc/09/28/74/388092874.db2.gz PNVGWZPTURANQO-TZMCWYRMSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@H](C)CC(C)(C)C ZINC000463735747 388091967 /nfs/dbraw/zinc/09/19/67/388091967.db2.gz LYRYMQIQLWMCTB-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCCN1C(=O)[C@H](C)CC(C)(C)C ZINC000463735748 529199510 /nfs/dbraw/zinc/19/95/10/529199510.db2.gz LYRYMQIQLWMCTB-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)CC(C)(C)C ZINC000463735749 388092725 /nfs/dbraw/zinc/09/27/25/388092725.db2.gz LYRYMQIQLWMCTB-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCCN1C(=O)[C@@H](C)CC(C)(C)C ZINC000463735750 388092338 /nfs/dbraw/zinc/09/23/38/388092338.db2.gz LYRYMQIQLWMCTB-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCC(CC)C(=O)N(CC)[C@@H]1CCCC[C@@H]1C ZINC000463736602 388092343 /nfs/dbraw/zinc/09/23/43/388092343.db2.gz WSCNFTPMRSASNS-GXTWGEPZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(CC)C(=O)N(CC)[C@H]1CCCC[C@@H]1C ZINC000463736603 528717585 /nfs/dbraw/zinc/71/75/85/528717585.db2.gz WSCNFTPMRSASNS-JSGCOSHPSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(CC)C(=O)N(CC)[C@H]1CCCC[C@H]1C ZINC000463736604 388092650 /nfs/dbraw/zinc/09/26/50/388092650.db2.gz WSCNFTPMRSASNS-OCCSQVGLSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(CC)C(=O)N(CC)[C@@H]1CCCC[C@H]1C ZINC000463736605 388092833 /nfs/dbraw/zinc/09/28/33/388092833.db2.gz WSCNFTPMRSASNS-TZMCWYRMSA-N 0 0 239.403 3.850 20 0 BHADRN OCc1cccc(OCC2CCCCCC2)c1 ZINC000463750174 388092754 /nfs/dbraw/zinc/09/27/54/388092754.db2.gz BFZXNDVLPZLNBM-UHFFFAOYSA-N 0 0 234.339 3.528 20 0 BHADRN OCCc1ccc(OCC2CCCCCC2)cc1 ZINC000463766178 388092640 /nfs/dbraw/zinc/09/26/40/388092640.db2.gz UCHQGVZKYDXFEH-UHFFFAOYSA-N 0 0 248.366 3.571 20 0 BHADRN CC[C@H](C(=O)N(C)C(C)(C)CC)c1ccccc1 ZINC000463809801 398014824 /nfs/dbraw/zinc/01/48/24/398014824.db2.gz ICXCBWTYIVFSMV-AWEZNQCLSA-N 0 0 247.382 3.827 20 0 BHADRN CC[C@@H](C(=O)N(C)C(C)(C)CC)c1ccccc1 ZINC000463809802 398014767 /nfs/dbraw/zinc/01/47/67/398014767.db2.gz ICXCBWTYIVFSMV-CQSZACIVSA-N 0 0 247.382 3.827 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(C)C(C)(C)CC ZINC000463812607 528766460 /nfs/dbraw/zinc/76/64/60/528766460.db2.gz RFHTVKFLKOOUDD-GFCCVEGCSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@H](CC)C(=O)N(C)C(C)(C)CC ZINC000463812608 398014726 /nfs/dbraw/zinc/01/47/26/398014726.db2.gz RFHTVKFLKOOUDD-LBPRGKRZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@@H](CC)C(=O)NC(C)(CC)CC ZINC000463817965 528767140 /nfs/dbraw/zinc/76/71/40/528767140.db2.gz MXFQNZMODXOVSO-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCC[C@H](CC)C(=O)NC(C)(CC)CC ZINC000463817966 398016136 /nfs/dbraw/zinc/01/61/36/398016136.db2.gz MXFQNZMODXOVSO-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CC[C@H](C(=O)NC(C)(CC)CC)c1ccccc1 ZINC000463821091 398015718 /nfs/dbraw/zinc/01/57/18/398015718.db2.gz WZALHTUECTYTKW-AWEZNQCLSA-N 0 0 247.382 3.875 20 0 BHADRN CC[C@@H](C(=O)NC(C)(CC)CC)c1ccccc1 ZINC000463821092 529280823 /nfs/dbraw/zinc/28/08/23/529280823.db2.gz WZALHTUECTYTKW-CQSZACIVSA-N 0 0 247.382 3.875 20 0 BHADRN CC[C@@H](C)NC(=O)Nc1cccc(C2CCC2)c1 ZINC000463828132 398015688 /nfs/dbraw/zinc/01/56/88/398015688.db2.gz CRHVNWITLFGWKW-LLVKDONJSA-N 0 0 246.354 3.874 20 0 BHADRN CC[C@H](C)NC(=O)Nc1cccc(C2CCC2)c1 ZINC000463828133 529162976 /nfs/dbraw/zinc/16/29/76/529162976.db2.gz CRHVNWITLFGWKW-NSHDSACASA-N 0 0 246.354 3.874 20 0 BHADRN CC(C)(C)NC(=O)Nc1cccc(C2CCC2)c1 ZINC000463834347 526319947 /nfs/dbraw/zinc/31/99/47/526319947.db2.gz AHYMHFYPKUMEOX-UHFFFAOYSA-N 0 0 246.354 3.874 20 0 BHADRN CC1(C)C[C@@H]1CNC(=O)CCCC1CCCC1 ZINC000463840427 398016034 /nfs/dbraw/zinc/01/60/34/398016034.db2.gz HNJSRSZEIFIHNP-CYBMUJFWSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(C)C[C@H]1CNC(=O)CCCC1CCCC1 ZINC000463840428 527758236 /nfs/dbraw/zinc/75/82/36/527758236.db2.gz HNJSRSZEIFIHNP-ZDUSSCGKSA-N 0 0 237.387 3.509 20 0 BHADRN CCCCNC(=O)Nc1cccc(C2CCC2)c1 ZINC000463849198 398015957 /nfs/dbraw/zinc/01/59/57/398015957.db2.gz IQXQHBVDUDFYEH-UHFFFAOYSA-N 0 0 246.354 3.876 20 0 BHADRN CC(C)CNC(=O)Nc1cccc(C2CCC2)c1 ZINC000463853153 528052596 /nfs/dbraw/zinc/05/25/96/528052596.db2.gz FVQYGGXOMCJPHH-UHFFFAOYSA-N 0 0 246.354 3.732 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)CC1CCC1 ZINC000463857005 398016018 /nfs/dbraw/zinc/01/60/18/398016018.db2.gz QCSNPBKBXCJJEL-UHFFFAOYSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)C(=O)NC(C)(C)c1cccs1 ZINC000463864076 398016054 /nfs/dbraw/zinc/01/60/54/398016054.db2.gz JPTGXVYHTBFUGK-UHFFFAOYSA-N 0 0 239.384 3.536 20 0 BHADRN CCC(CC)CNC(=O)CCCC1CCCC1 ZINC000463867745 388094467 /nfs/dbraw/zinc/09/44/67/388094467.db2.gz CXBGSJFNINUFMZ-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CC1CCC1 ZINC000463882240 388094052 /nfs/dbraw/zinc/09/40/52/388094052.db2.gz HPJRRLDKQYFELH-KBPBESRZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)CC1CCC1 ZINC000463882241 527761373 /nfs/dbraw/zinc/76/13/73/527761373.db2.gz HPJRRLDKQYFELH-KGLIPLIRSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)CC1CCC1 ZINC000463882242 388094051 /nfs/dbraw/zinc/09/40/51/388094051.db2.gz HPJRRLDKQYFELH-UONOGXRCSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H]1CCCC[C@H]1NC(=O)CC1CCC1 ZINC000463882243 388093851 /nfs/dbraw/zinc/09/38/51/388093851.db2.gz HPJRRLDKQYFELH-ZIAGYGMSSA-N 0 0 237.387 3.508 20 0 BHADRN CCc1ccc(C(=O)N[C@H](C)C[C@H](C)CC)cc1 ZINC000463889665 388094153 /nfs/dbraw/zinc/09/41/53/388094153.db2.gz BEWHUQZFLUKOAL-CHWSQXEVSA-N 0 0 247.382 3.804 20 0 BHADRN CCc1ccc(C(=O)N[C@@H](C)C[C@H](C)CC)cc1 ZINC000463889666 388094387 /nfs/dbraw/zinc/09/43/87/388094387.db2.gz BEWHUQZFLUKOAL-OLZOCXBDSA-N 0 0 247.382 3.804 20 0 BHADRN CCc1ccc(C(=O)N[C@H](C)C[C@@H](C)CC)cc1 ZINC000463889667 529608057 /nfs/dbraw/zinc/60/80/57/529608057.db2.gz BEWHUQZFLUKOAL-QWHCGFSZSA-N 0 0 247.382 3.804 20 0 BHADRN CCc1ccc(C(=O)N[C@@H](C)C[C@@H](C)CC)cc1 ZINC000463889668 388094277 /nfs/dbraw/zinc/09/42/77/388094277.db2.gz BEWHUQZFLUKOAL-STQMWFEESA-N 0 0 247.382 3.804 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)CCC(C)(C)C ZINC000463895982 388094324 /nfs/dbraw/zinc/09/43/24/388094324.db2.gz PLVYDCDWZRHFDO-NEPJUHHUSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)CCC(C)(C)C ZINC000463895983 388093896 /nfs/dbraw/zinc/09/38/96/388093896.db2.gz PLVYDCDWZRHFDO-NWDGAFQWSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)CCC(C)(C)C ZINC000463895984 388094113 /nfs/dbraw/zinc/09/41/13/388094113.db2.gz PLVYDCDWZRHFDO-RYUDHWBXSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)CCC(C)(C)C ZINC000463895985 388094167 /nfs/dbraw/zinc/09/41/67/388094167.db2.gz PLVYDCDWZRHFDO-VXGBXAGGSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000463896922 529683213 /nfs/dbraw/zinc/68/32/13/529683213.db2.gz RFSSYACRNQGXCH-AAEUAGOBSA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000463896923 388093832 /nfs/dbraw/zinc/09/38/32/388093832.db2.gz RFSSYACRNQGXCH-DGCLKSJQSA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000463896924 388093970 /nfs/dbraw/zinc/09/39/70/388093970.db2.gz RFSSYACRNQGXCH-WCQYABFASA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000463896925 388094214 /nfs/dbraw/zinc/09/42/14/388094214.db2.gz RFSSYACRNQGXCH-YPMHNXCESA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@H](CC(=O)N[C@H](C)C[C@@H](C)CC)C(C)C ZINC000463897331 388094048 /nfs/dbraw/zinc/09/40/48/388094048.db2.gz PHDWRGPVQQRVCM-BFHYXJOUSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C[C@H](CC)C(C)C ZINC000463897332 388094043 /nfs/dbraw/zinc/09/40/43/388094043.db2.gz PHDWRGPVQQRVCM-IHRRRGAJSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](CC(=O)N[C@@H](C)C[C@@H](C)CC)C(C)C ZINC000463897333 529305002 /nfs/dbraw/zinc/30/50/02/529305002.db2.gz PHDWRGPVQQRVCM-MELADBBJSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C[C@H](CC)C(C)C ZINC000463897334 388093846 /nfs/dbraw/zinc/09/38/46/388093846.db2.gz PHDWRGPVQQRVCM-MJBXVCDLSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C[C@H](C)CC(C)C ZINC000463899543 388094354 /nfs/dbraw/zinc/09/43/54/388094354.db2.gz WZJHGTDASASTRQ-BFHYXJOUSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC000463899544 388093943 /nfs/dbraw/zinc/09/39/43/388093943.db2.gz WZJHGTDASASTRQ-IHRRRGAJSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC000463899545 529676280 /nfs/dbraw/zinc/67/62/80/529676280.db2.gz WZJHGTDASASTRQ-MELADBBJSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C[C@H](C)CC(C)C ZINC000463899546 388094239 /nfs/dbraw/zinc/09/42/39/388094239.db2.gz WZJHGTDASASTRQ-MJBXVCDLSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)C1CCCCCC1 ZINC000463902773 388093900 /nfs/dbraw/zinc/09/39/00/388093900.db2.gz JHSCXZRCVGMPJQ-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)C1CCCCCC1 ZINC000463902774 529335484 /nfs/dbraw/zinc/33/54/84/529335484.db2.gz JHSCXZRCVGMPJQ-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C1CCCCCC1 ZINC000463902775 388094022 /nfs/dbraw/zinc/09/40/22/388094022.db2.gz JHSCXZRCVGMPJQ-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C1CCCCCC1 ZINC000463902776 388094475 /nfs/dbraw/zinc/09/44/75/388094475.db2.gz JHSCXZRCVGMPJQ-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)c1cccc(C)c1 ZINC000463903596 388093806 /nfs/dbraw/zinc/09/38/06/388093806.db2.gz VTPGEBXAEAQLTQ-AAEUAGOBSA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000463903598 388094417 /nfs/dbraw/zinc/09/44/17/388094417.db2.gz VTPGEBXAEAQLTQ-DGCLKSJQSA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000463903599 388093666 /nfs/dbraw/zinc/09/36/66/388093666.db2.gz VTPGEBXAEAQLTQ-WCQYABFASA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)c1cccc(C)c1 ZINC000463903600 388093887 /nfs/dbraw/zinc/09/38/87/388093887.db2.gz VTPGEBXAEAQLTQ-YPMHNXCESA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000463903974 388093938 /nfs/dbraw/zinc/09/39/38/388093938.db2.gz GNTSCBZMUTWAFC-CRWXNKLISA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000463903975 388094257 /nfs/dbraw/zinc/09/42/57/388094257.db2.gz GNTSCBZMUTWAFC-RFQIPJPRSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000463903976 529682988 /nfs/dbraw/zinc/68/29/88/529682988.db2.gz GNTSCBZMUTWAFC-XDQVBPFNSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000463903977 529682920 /nfs/dbraw/zinc/68/29/20/529682920.db2.gz GNTSCBZMUTWAFC-XUXIUFHCSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)CCC1CCCC1 ZINC000463904390 388093679 /nfs/dbraw/zinc/09/36/79/388093679.db2.gz QBBSJRMWLSBLIJ-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)CCC1CCCC1 ZINC000463904392 388093740 /nfs/dbraw/zinc/09/37/40/388093740.db2.gz QBBSJRMWLSBLIJ-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)CCC1CCCC1 ZINC000463904393 388094005 /nfs/dbraw/zinc/09/40/05/388094005.db2.gz QBBSJRMWLSBLIJ-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)CCC1CCCC1 ZINC000463904398 388093750 /nfs/dbraw/zinc/09/37/50/388093750.db2.gz QBBSJRMWLSBLIJ-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)CC1=CCCCC1 ZINC000463908562 388093946 /nfs/dbraw/zinc/09/39/46/388093946.db2.gz PFLFFYVJPGQITO-CHWSQXEVSA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)CC1=CCCCC1 ZINC000463908563 529335443 /nfs/dbraw/zinc/33/54/43/529335443.db2.gz PFLFFYVJPGQITO-OLZOCXBDSA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)CC1=CCCCC1 ZINC000463908564 388094068 /nfs/dbraw/zinc/09/40/68/388094068.db2.gz PFLFFYVJPGQITO-QWHCGFSZSA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)CC1=CCCCC1 ZINC000463908565 529680475 /nfs/dbraw/zinc/68/04/75/529680475.db2.gz PFLFFYVJPGQITO-STQMWFEESA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(C)ccc1C ZINC000463910143 388094150 /nfs/dbraw/zinc/09/41/50/388094150.db2.gz LOUBKCJVTVIRQG-BXUZGUMPSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)c1cc(C)ccc1C ZINC000463910144 388094537 /nfs/dbraw/zinc/09/45/37/388094537.db2.gz LOUBKCJVTVIRQG-FZMZJTMJSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)c1cc(C)ccc1C ZINC000463910145 388093760 /nfs/dbraw/zinc/09/37/60/388093760.db2.gz LOUBKCJVTVIRQG-RISCZKNCSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C)ccc1C ZINC000463910146 529678433 /nfs/dbraw/zinc/67/84/33/529678433.db2.gz LOUBKCJVTVIRQG-SMDDNHRTSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C[C@H](C)C(C)C ZINC000463910995 388094456 /nfs/dbraw/zinc/09/44/56/388094456.db2.gz WDZZEDUVQYQIBX-AVGNSLFASA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C[C@H](C)C(C)C ZINC000463910996 388094462 /nfs/dbraw/zinc/09/44/62/388094462.db2.gz WDZZEDUVQYQIBX-RWMBFGLXSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C[C@@H](C)C(C)C ZINC000463910997 388094492 /nfs/dbraw/zinc/09/44/92/388094492.db2.gz WDZZEDUVQYQIBX-XQQFMLRXSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C[C@@H](C)C(C)C ZINC000463910998 388094196 /nfs/dbraw/zinc/09/41/96/388094196.db2.gz WDZZEDUVQYQIBX-YNEHKIRRSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(C)cc(C)c1 ZINC000463912659 388094470 /nfs/dbraw/zinc/09/44/70/388094470.db2.gz UCPJSBGRGQJSLO-BXUZGUMPSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)c1cc(C)cc(C)c1 ZINC000463912660 388094441 /nfs/dbraw/zinc/09/44/41/388094441.db2.gz UCPJSBGRGQJSLO-FZMZJTMJSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)c1cc(C)cc(C)c1 ZINC000463912661 388094409 /nfs/dbraw/zinc/09/44/09/388094409.db2.gz UCPJSBGRGQJSLO-RISCZKNCSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C)cc(C)c1 ZINC000463912662 388094190 /nfs/dbraw/zinc/09/41/90/388094190.db2.gz UCPJSBGRGQJSLO-SMDDNHRTSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC000463913601 388094342 /nfs/dbraw/zinc/09/43/42/388094342.db2.gz RFLAIKXGQDBOGB-QJPTWQEYSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC000463913602 388094188 /nfs/dbraw/zinc/09/41/88/388094188.db2.gz RFLAIKXGQDBOGB-SDDRHHMPSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC000463913603 388094263 /nfs/dbraw/zinc/09/42/63/388094263.db2.gz RFLAIKXGQDBOGB-SRVKXCTJSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC000463913604 388094056 /nfs/dbraw/zinc/09/40/56/388094056.db2.gz RFLAIKXGQDBOGB-TUAOUCFPSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(C)cc1C ZINC000463913646 388094116 /nfs/dbraw/zinc/09/41/16/388094116.db2.gz RQWDWXUUZUXGSX-BXUZGUMPSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(C)cc1C ZINC000463913647 388093878 /nfs/dbraw/zinc/09/38/78/388093878.db2.gz RQWDWXUUZUXGSX-FZMZJTMJSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(C)cc1C ZINC000463913648 388093819 /nfs/dbraw/zinc/09/38/19/388093819.db2.gz RQWDWXUUZUXGSX-RISCZKNCSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(C)cc1C ZINC000463913649 388093711 /nfs/dbraw/zinc/09/37/11/388093711.db2.gz RQWDWXUUZUXGSX-SMDDNHRTSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C[C@H](C)C(C)(C)C ZINC000463914999 388094108 /nfs/dbraw/zinc/09/41/08/388094108.db2.gz JFMJPBDPWBWOQD-AVGNSLFASA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C[C@H](C)C(C)(C)C ZINC000463915000 388093971 /nfs/dbraw/zinc/09/39/71/388093971.db2.gz JFMJPBDPWBWOQD-RWMBFGLXSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C ZINC000463915001 529680835 /nfs/dbraw/zinc/68/08/35/529680835.db2.gz JFMJPBDPWBWOQD-XQQFMLRXSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C[C@@H](C)C(C)(C)C ZINC000463915002 529676263 /nfs/dbraw/zinc/67/62/63/529676263.db2.gz JFMJPBDPWBWOQD-YNEHKIRRSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)c1cccc(C)c1C ZINC000463915418 388094377 /nfs/dbraw/zinc/09/43/77/388094377.db2.gz LDDJKLRGLVMJKZ-AAEUAGOBSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc(C)c1C ZINC000463915419 388094499 /nfs/dbraw/zinc/09/44/99/388094499.db2.gz LDDJKLRGLVMJKZ-DGCLKSJQSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(C)c1C ZINC000463915420 388094309 /nfs/dbraw/zinc/09/43/09/388094309.db2.gz LDDJKLRGLVMJKZ-WCQYABFASA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)c1cccc(C)c1C ZINC000463915421 388093827 /nfs/dbraw/zinc/09/38/27/388093827.db2.gz LDDJKLRGLVMJKZ-YPMHNXCESA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)CC1CCCCC1 ZINC000463915759 388094242 /nfs/dbraw/zinc/09/42/42/388094242.db2.gz MQNSLYSBDXMAST-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)CC1CCCCC1 ZINC000463915760 388094013 /nfs/dbraw/zinc/09/40/13/388094013.db2.gz MQNSLYSBDXMAST-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)CC1CCCCC1 ZINC000463915761 388094489 /nfs/dbraw/zinc/09/44/89/388094489.db2.gz MQNSLYSBDXMAST-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)CC1CCCCC1 ZINC000463915762 388093671 /nfs/dbraw/zinc/09/36/71/388093671.db2.gz MQNSLYSBDXMAST-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000463916107 388094338 /nfs/dbraw/zinc/09/43/38/388094338.db2.gz PXTHWILIOHJNTC-BXUZGUMPSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000463916108 388094209 /nfs/dbraw/zinc/09/42/09/388094209.db2.gz PXTHWILIOHJNTC-FZMZJTMJSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000463916109 388093842 /nfs/dbraw/zinc/09/38/42/388093842.db2.gz PXTHWILIOHJNTC-RISCZKNCSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000463916110 529678359 /nfs/dbraw/zinc/67/83/59/529678359.db2.gz PXTHWILIOHJNTC-SMDDNHRTSA-N 0 0 247.382 3.858 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H](C)C[C@H](C)CC ZINC000463928362 388093837 /nfs/dbraw/zinc/09/38/37/388093837.db2.gz YLQHKPURBDFGDE-AGIUHOORSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000463928363 388094495 /nfs/dbraw/zinc/09/44/95/388094495.db2.gz YLQHKPURBDFGDE-AVGNSLFASA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H](C)C[C@H](C)CC ZINC000463928364 528030104 /nfs/dbraw/zinc/03/01/04/528030104.db2.gz YLQHKPURBDFGDE-FRRDWIJNSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H](C)C[C@@H](C)CC ZINC000463928365 388094070 /nfs/dbraw/zinc/09/40/70/388094070.db2.gz YLQHKPURBDFGDE-RWMBFGLXSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(CC)C(=O)NC(C)(C)c1cccc(C)c1 ZINC000463935193 388094431 /nfs/dbraw/zinc/09/44/31/388094431.db2.gz NIGNCLCHXCBSCA-UHFFFAOYSA-N 0 0 247.382 3.783 20 0 BHADRN Cc1ccccc1N(C(=O)C[C@@H]1C[C@@H]1C)C(C)C ZINC000463941905 388094234 /nfs/dbraw/zinc/09/42/34/388094234.db2.gz FPRNHMCLMVKRSL-KBPBESRZSA-N 0 0 245.366 3.783 20 0 BHADRN Cc1ccccc1N(C(=O)C[C@@H]1C[C@H]1C)C(C)C ZINC000463941906 388094158 /nfs/dbraw/zinc/09/41/58/388094158.db2.gz FPRNHMCLMVKRSL-KGLIPLIRSA-N 0 0 245.366 3.783 20 0 BHADRN Cc1ccccc1N(C(=O)C[C@H]1C[C@@H]1C)C(C)C ZINC000463941908 388094054 /nfs/dbraw/zinc/09/40/54/388094054.db2.gz FPRNHMCLMVKRSL-UONOGXRCSA-N 0 0 245.366 3.783 20 0 BHADRN Cc1ccccc1N(C(=O)C[C@H]1C[C@H]1C)C(C)C ZINC000463941910 224961015 /nfs/dbraw/zinc/96/10/15/224961015.db2.gz FPRNHMCLMVKRSL-ZIAGYGMSSA-N 0 0 245.366 3.783 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(CCC)C1CC1 ZINC000463945019 528766209 /nfs/dbraw/zinc/76/62/09/528766209.db2.gz NSIRTBVKBKAUNN-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@H](CC)C(=O)N(CCC)C1CC1 ZINC000463945020 388095339 /nfs/dbraw/zinc/09/53/39/388095339.db2.gz NSIRTBVKBKAUNN-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCC(CC)C(=O)N([C@@H](C)[C@H](C)CC)C1CC1 ZINC000463945996 388095245 /nfs/dbraw/zinc/09/52/45/388095245.db2.gz PNQFKTRMGXFHJM-NEPJUHHUSA-N 0 0 239.403 3.848 20 0 BHADRN CCC(CC)C(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000463945997 388095038 /nfs/dbraw/zinc/09/50/38/388095038.db2.gz PNQFKTRMGXFHJM-NWDGAFQWSA-N 0 0 239.403 3.848 20 0 BHADRN CCC(CC)C(=O)N([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000463945998 388095288 /nfs/dbraw/zinc/09/52/88/388095288.db2.gz PNQFKTRMGXFHJM-RYUDHWBXSA-N 0 0 239.403 3.848 20 0 BHADRN CCC(CC)C(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000463945999 388094766 /nfs/dbraw/zinc/09/47/66/388094766.db2.gz PNQFKTRMGXFHJM-VXGBXAGGSA-N 0 0 239.403 3.848 20 0 BHADRN CCC(CC)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000463948110 528726019 /nfs/dbraw/zinc/72/60/19/528726019.db2.gz HTNRLTQQLQKENW-KBPBESRZSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000463948111 388095326 /nfs/dbraw/zinc/09/53/26/388095326.db2.gz HTNRLTQQLQKENW-KGLIPLIRSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000463948112 388094925 /nfs/dbraw/zinc/09/49/25/388094925.db2.gz HTNRLTQQLQKENW-UONOGXRCSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000463948113 528724464 /nfs/dbraw/zinc/72/44/64/528724464.db2.gz HTNRLTQQLQKENW-ZIAGYGMSSA-N 0 0 239.403 3.754 20 0 BHADRN CCCC[C@@H](CC)C(=O)NC1(C)CCCC1 ZINC000463955649 388095006 /nfs/dbraw/zinc/09/50/06/388095006.db2.gz QGURRZNLMIAUMO-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC[C@H](CC)C(=O)NC1(C)CCCC1 ZINC000463955650 388095281 /nfs/dbraw/zinc/09/52/81/388095281.db2.gz QGURRZNLMIAUMO-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CC[C@H](C(=O)NC1(C)CCCC1)c1ccccc1 ZINC000463955658 529603916 /nfs/dbraw/zinc/60/39/16/529603916.db2.gz QIULIINDJFAXSM-AWEZNQCLSA-N 0 0 245.366 3.629 20 0 BHADRN CC[C@@H](C(=O)NC1(C)CCCC1)c1ccccc1 ZINC000463955659 388094740 /nfs/dbraw/zinc/09/47/40/388094740.db2.gz QIULIINDJFAXSM-CQSZACIVSA-N 0 0 245.366 3.629 20 0 BHADRN CC1(C)CCC(NC(=O)Nc2ccccc2)CC1 ZINC000463959061 388094981 /nfs/dbraw/zinc/09/49/81/388094981.db2.gz PKFFQWMQIPBUSV-UHFFFAOYSA-N 0 0 246.354 3.777 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)C(CC)CC 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225.376 3.652 20 0 BHADRN CCCC[C@H](CC)C(=O)NC1(CC)CCC1 ZINC000464102029 528899858 /nfs/dbraw/zinc/89/98/58/528899858.db2.gz OVOQRXWUJHVUOY-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CCC(CC)C(=O)N(CC(C)C)CC(C)(C)C ZINC000464130117 388097699 /nfs/dbraw/zinc/09/76/99/388097699.db2.gz FJUQAEMTTNLBJD-UHFFFAOYSA-N 0 0 241.419 3.953 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)C(CC)CC ZINC000464131611 388097153 /nfs/dbraw/zinc/09/71/53/388097153.db2.gz IKAPEGJJFAMDMI-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)C(CC)CC ZINC000464131612 528258654 /nfs/dbraw/zinc/25/86/54/528258654.db2.gz IKAPEGJJFAMDMI-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(CC(F)F)C(C)C ZINC000464139740 388097340 /nfs/dbraw/zinc/09/73/40/388097340.db2.gz SGESWZCUJSNNMO-LLVKDONJSA-N 0 0 249.345 3.705 20 0 BHADRN CCCC[C@H](CC)C(=O)N(CC(F)F)C(C)C ZINC000464139741 528897081 /nfs/dbraw/zinc/89/70/81/528897081.db2.gz SGESWZCUJSNNMO-NSHDSACASA-N 0 0 249.345 3.705 20 0 BHADRN 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ZINC000465029054 388109395 /nfs/dbraw/zinc/10/93/95/388109395.db2.gz AFXXZQURWRDCEV-YNEHKIRRSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(C)CC(=O)NCCC1CCCC1 ZINC000465029214 388108984 /nfs/dbraw/zinc/10/89/84/388108984.db2.gz JQDAXVKFPFRVMS-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC(C)(C)CC(=O)NCc1ccc(C)cc1C ZINC000465029641 528496518 /nfs/dbraw/zinc/49/65/18/528496518.db2.gz GAYOSBQXHCOSMM-UHFFFAOYSA-N 0 0 247.382 3.746 20 0 BHADRN CC[C@H]1CCC[C@@H]1NC(=O)CC1CCCCC1 ZINC000465030259 388109387 /nfs/dbraw/zinc/10/93/87/388109387.db2.gz DWWSVUWYECWTBG-KBPBESRZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)CC1CCCCC1 ZINC000465030261 388109089 /nfs/dbraw/zinc/10/90/89/388109089.db2.gz DWWSVUWYECWTBG-KGLIPLIRSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCC[C@H]1NC(=O)CC1CCCCC1 ZINC000465030262 388109101 /nfs/dbraw/zinc/10/91/01/388109101.db2.gz DWWSVUWYECWTBG-UONOGXRCSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@H]1NC(=O)CC1CCCCC1 ZINC000465030264 388109532 /nfs/dbraw/zinc/10/95/32/388109532.db2.gz DWWSVUWYECWTBG-ZIAGYGMSSA-N 0 0 237.387 3.652 20 0 BHADRN CCCN(CC(C)C)C(=O)CC(C)(C)CC ZINC000465030668 527922017 /nfs/dbraw/zinc/92/20/17/527922017.db2.gz KEWLYOSBGASNPX-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN CCN(C(=O)CC(C)(C)CC)C1CCCCC1 ZINC000465031379 388109498 /nfs/dbraw/zinc/10/94/98/388109498.db2.gz LLUCIBCRKXCJIF-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CCC(C)(C)CC(=O)NCCC1CCCCC1 ZINC000465032684 528494915 /nfs/dbraw/zinc/49/49/15/528494915.db2.gz OASYZSUUIZZYES-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CC[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(C)c1 ZINC000465033943 388109180 /nfs/dbraw/zinc/10/91/80/388109180.db2.gz OVPQQUYOBRURHM-DZGCQCFKSA-N 0 0 245.366 3.612 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(C)c1 ZINC000465033944 388109539 /nfs/dbraw/zinc/10/95/39/388109539.db2.gz OVPQQUYOBRURHM-HIFRSBDPSA-N 0 0 245.366 3.612 20 0 BHADRN CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(C)c1 ZINC000465033945 529321868 /nfs/dbraw/zinc/32/18/68/529321868.db2.gz OVPQQUYOBRURHM-UKRRQHHQSA-N 0 0 245.366 3.612 20 0 BHADRN CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(C)c1 ZINC000465033946 529228673 /nfs/dbraw/zinc/22/86/73/529228673.db2.gz OVPQQUYOBRURHM-ZFWWWQNUSA-N 0 0 245.366 3.612 20 0 BHADRN CCCCN(C(=O)CC(C)(C)CC)C1CC1 ZINC000465034570 528300865 /nfs/dbraw/zinc/30/08/65/528300865.db2.gz KDMSYABTQRYSSJ-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H](C)CCC(C)C ZINC000465036807 528498309 /nfs/dbraw/zinc/49/83/09/528498309.db2.gz XYMGSDXAXAKKPQ-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H](C)CCC(C)C ZINC000465036808 388109212 /nfs/dbraw/zinc/10/92/12/388109212.db2.gz XYMGSDXAXAKKPQ-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(C)(C)CC(=O)N1CC[C@H]1c1ccccc1 ZINC000465037812 528494693 /nfs/dbraw/zinc/49/46/93/528494693.db2.gz TXOLRLKHQCTTIZ-AWEZNQCLSA-N 0 0 245.366 3.786 20 0 BHADRN CCC(C)(C)CC(=O)N1CC[C@@H]1c1ccccc1 ZINC000465037813 388109059 /nfs/dbraw/zinc/10/90/59/388109059.db2.gz TXOLRLKHQCTTIZ-CQSZACIVSA-N 0 0 245.366 3.786 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCC[C@H]1CC ZINC000465039466 388109524 /nfs/dbraw/zinc/10/95/24/388109524.db2.gz UJHSMTOVSZPLFQ-XQQFMLRXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCC[C@H]1CC ZINC000465039468 388108872 /nfs/dbraw/zinc/10/88/72/388108872.db2.gz UJHSMTOVSZPLFQ-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H]1CCC[C@@H]1NC(=O)CCC1CCCC1 ZINC000465039810 388109304 /nfs/dbraw/zinc/10/93/04/388109304.db2.gz VRKGXNHMIQUVLA-KBPBESRZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)CCC1CCCC1 ZINC000465039811 388109336 /nfs/dbraw/zinc/10/93/36/388109336.db2.gz VRKGXNHMIQUVLA-KGLIPLIRSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCC[C@H]1NC(=O)CCC1CCCC1 ZINC000465039813 388109030 /nfs/dbraw/zinc/10/90/30/388109030.db2.gz VRKGXNHMIQUVLA-UONOGXRCSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@H]1NC(=O)CCC1CCCC1 ZINC000465039815 529320410 /nfs/dbraw/zinc/32/04/10/529320410.db2.gz VRKGXNHMIQUVLA-ZIAGYGMSSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCC[C@H]1NC(=O)C1CCCCCC1 ZINC000465040240 388108878 /nfs/dbraw/zinc/10/88/78/388108878.db2.gz AFQCPRSDKGMXFB-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCC[C@@H]1NC(=O)C1CCCCCC1 ZINC000465040241 388109217 /nfs/dbraw/zinc/10/92/17/388109217.db2.gz AFQCPRSDKGMXFB-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)C1CCCCCC1 ZINC000465040242 388109145 /nfs/dbraw/zinc/10/91/45/388109145.db2.gz AFQCPRSDKGMXFB-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@H]1NC(=O)C1CCCCCC1 ZINC000465040243 529320173 /nfs/dbraw/zinc/32/01/73/529320173.db2.gz AFQCPRSDKGMXFB-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@H]1NC(=O)C[C@@H](C)CC(C)C ZINC000465040955 388109223 /nfs/dbraw/zinc/10/92/23/388109223.db2.gz YONPVQAJVLFNOH-BFHYXJOUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H](C)CC(C)C ZINC000465040956 388108907 /nfs/dbraw/zinc/10/89/07/388108907.db2.gz YONPVQAJVLFNOH-MCIONIFRSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCC[C@H]1NC(=O)C[C@H](C)CC(C)C ZINC000465040957 388109351 /nfs/dbraw/zinc/10/93/51/388109351.db2.gz YONPVQAJVLFNOH-MGPQQGTHSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](C)CC(C)C ZINC000465040958 388108383 /nfs/dbraw/zinc/10/83/83/388108383.db2.gz YONPVQAJVLFNOH-MJBXVCDLSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000465041050 529311314 /nfs/dbraw/zinc/31/13/14/529311314.db2.gz DXEWOPCPRDREBG-CRWXNKLISA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000465041051 529311551 /nfs/dbraw/zinc/31/15/51/529311551.db2.gz DXEWOPCPRDREBG-MQYQWHSLSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000465041052 388109234 /nfs/dbraw/zinc/10/92/34/388109234.db2.gz DXEWOPCPRDREBG-SYQHCUMBSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)CC(C)(C)CC ZINC000465041414 529309970 /nfs/dbraw/zinc/30/99/70/529309970.db2.gz HEEDKJPHNSPCGI-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H]1CCC[C@H]1NC(=O)CC(C)(C)CC ZINC000465041415 529233932 /nfs/dbraw/zinc/23/39/32/529233932.db2.gz HEEDKJPHNSPCGI-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H]1CCC[C@@H]1NC(=O)CC(C)(C)CC ZINC000465041416 529227544 /nfs/dbraw/zinc/22/75/44/529227544.db2.gz HEEDKJPHNSPCGI-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1CCC[C@H]1NC(=O)CC(C)(C)CC ZINC000465041417 388109473 /nfs/dbraw/zinc/10/94/73/388109473.db2.gz HEEDKJPHNSPCGI-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1CCC[C@H]1NC(=O)CCCC(C)(C)C ZINC000465044640 529320364 /nfs/dbraw/zinc/32/03/64/529320364.db2.gz WBSWUNPUQFGDKN-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H]1CCC[C@@H]1NC(=O)CCCC(C)(C)C ZINC000465044641 388109053 /nfs/dbraw/zinc/10/90/53/388109053.db2.gz WBSWUNPUQFGDKN-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H]1CCC[C@H]1NC(=O)CCCC(C)(C)C ZINC000465044642 388109319 /nfs/dbraw/zinc/10/93/19/388109319.db2.gz WBSWUNPUQFGDKN-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H]1CCC[C@@H]1NC(=O)CCCC(C)(C)C ZINC000465044643 388109056 /nfs/dbraw/zinc/10/90/56/388109056.db2.gz WBSWUNPUQFGDKN-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](CC(=O)N[C@@H]1CCC[C@@H]1CC)C(C)C ZINC000465045162 388109535 /nfs/dbraw/zinc/10/95/35/388109535.db2.gz YUXGGCSSTGFSNK-BFHYXJOUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](CC(=O)N[C@H]1CCC[C@H]1CC)C(C)C ZINC000465045163 388108920 /nfs/dbraw/zinc/10/89/20/388108920.db2.gz YUXGGCSSTGFSNK-MCIONIFRSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](CC(=O)N[C@@H]1CCC[C@H]1CC)C(C)C ZINC000465045164 388109241 /nfs/dbraw/zinc/10/92/41/388109241.db2.gz YUXGGCSSTGFSNK-MGPQQGTHSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](CC(=O)N[C@H]1CCC[C@@H]1CC)C(C)C ZINC000465045165 388109068 /nfs/dbraw/zinc/10/90/68/388109068.db2.gz YUXGGCSSTGFSNK-MJBXVCDLSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)CC(C)(C)CC ZINC000465047504 388109191 /nfs/dbraw/zinc/10/91/91/388109191.db2.gz DRBMHYRXQRRIPS-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CC[C@H]1CCCCN1C(=O)CC(C)(C)CC ZINC000465047505 388109298 /nfs/dbraw/zinc/10/92/98/388109298.db2.gz DRBMHYRXQRRIPS-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCC(C)(C)CC(=O)Nc1ccc(F)cc1C ZINC000465047961 388109494 /nfs/dbraw/zinc/10/94/94/388109494.db2.gz HPBXIZYEDVSUQX-UHFFFAOYSA-N 0 0 237.318 3.899 20 0 BHADRN CCC(C)(C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000465048606 388108850 /nfs/dbraw/zinc/10/88/50/388108850.db2.gz KFLAUYPOCCQKDZ-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000465048684 388109187 /nfs/dbraw/zinc/10/91/87/388109187.db2.gz LRIBVVMJNWZNMZ-FRRDWIJNSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000465048685 388109085 /nfs/dbraw/zinc/10/90/85/388109085.db2.gz LRIBVVMJNWZNMZ-JHJVBQTASA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000465048686 388108826 /nfs/dbraw/zinc/10/88/26/388108826.db2.gz LRIBVVMJNWZNMZ-RWMBFGLXSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000465048687 388109354 /nfs/dbraw/zinc/10/93/54/388109354.db2.gz LRIBVVMJNWZNMZ-YNEHKIRRSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(C)CC(=O)N(C)Cc1ccccc1C ZINC000465049124 388109286 /nfs/dbraw/zinc/10/92/86/388109286.db2.gz IUHJPEWMHQRMHU-UHFFFAOYSA-N 0 0 247.382 3.780 20 0 BHADRN CCC(C)(C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000465049241 388109010 /nfs/dbraw/zinc/10/90/10/388109010.db2.gz KPMAPMJYKTYWGQ-UHFFFAOYSA-N 0 0 237.318 3.899 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000465050396 388109137 /nfs/dbraw/zinc/10/91/37/388109137.db2.gz JRTLFVVCICBQDI-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000465050397 388108924 /nfs/dbraw/zinc/10/89/24/388108924.db2.gz JRTLFVVCICBQDI-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000465050398 388108928 /nfs/dbraw/zinc/10/89/28/388108928.db2.gz JRTLFVVCICBQDI-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000465050399 388109078 /nfs/dbraw/zinc/10/90/78/388109078.db2.gz JRTLFVVCICBQDI-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)CSc1cc(C(C)C)ncn1 ZINC000465051227 388108990 /nfs/dbraw/zinc/10/89/90/388108990.db2.gz WCFKZQGNHDSAKJ-JTQLQIEISA-N 0 0 224.373 3.738 20 0 BHADRN CC[C@@H](C)CSc1cc(C(C)C)ncn1 ZINC000465051228 388109483 /nfs/dbraw/zinc/10/94/83/388109483.db2.gz WCFKZQGNHDSAKJ-SNVBAGLBSA-N 0 0 224.373 3.738 20 0 BHADRN CCOc1ccccc1NC(=O)CC(C)(C)CC ZINC000465051463 388109390 /nfs/dbraw/zinc/10/93/90/388109390.db2.gz BXXQCJVIVHQRPR-UHFFFAOYSA-N 0 0 249.354 3.850 20 0 BHADRN CCC(C)(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000465051506 388108844 /nfs/dbraw/zinc/10/88/44/388108844.db2.gz XKZDHFXMSAGTPT-UHFFFAOYSA-N 0 0 241.281 3.730 20 0 BHADRN CCC(C)(C)CC(=O)N(C)Cc1ccc(C)cc1 ZINC000465051634 388109504 /nfs/dbraw/zinc/10/95/04/388109504.db2.gz SDZYWJCCJILBFY-UHFFFAOYSA-N 0 0 247.382 3.780 20 0 BHADRN CCc1csc(N2CCC(C(C)C)CC2)n1 ZINC000465051663 388109309 /nfs/dbraw/zinc/10/93/09/388109309.db2.gz SOUXFTDWLQCLKU-UHFFFAOYSA-N 0 0 238.400 3.578 20 0 BHADRN CC[C@@H]1CCCN(c2nc(C)c(C)s2)CC1 ZINC000465051922 388109302 /nfs/dbraw/zinc/10/93/02/388109302.db2.gz VFFHOHJCNNIAGV-GFCCVEGCSA-N 0 0 238.400 3.776 20 0 BHADRN CC[C@H]1CCCN(c2nc(C)c(C)s2)CC1 ZINC000465051923 388109290 /nfs/dbraw/zinc/10/92/90/388109290.db2.gz VFFHOHJCNNIAGV-LBPRGKRZSA-N 0 0 238.400 3.776 20 0 BHADRN CCC(C)(C)CC(=O)Nc1cccc(C)c1 ZINC000465051961 388109184 /nfs/dbraw/zinc/10/91/84/388109184.db2.gz FIJSYCHHJCFHDI-UHFFFAOYSA-N 0 0 219.328 3.760 20 0 BHADRN CC[C@H](C)CSc1ccnc(C(C)C)n1 ZINC000465052117 388109296 /nfs/dbraw/zinc/10/92/96/388109296.db2.gz WZXSPUSWSJMNBN-JTQLQIEISA-N 0 0 224.373 3.738 20 0 BHADRN CC[C@@H](C)CSc1ccnc(C(C)C)n1 ZINC000465052118 388108962 /nfs/dbraw/zinc/10/89/62/388108962.db2.gz WZXSPUSWSJMNBN-SNVBAGLBSA-N 0 0 224.373 3.738 20 0 BHADRN Cc1nc(N2CCC(C(C)C)CC2)sc1C ZINC000465052430 388108905 /nfs/dbraw/zinc/10/89/05/388108905.db2.gz ZGPAXQBWAGKJRU-UHFFFAOYSA-N 0 0 238.400 3.632 20 0 BHADRN CCOc1ccc(NC(=O)CC(C)(C)CC)cc1 ZINC000465053048 388109282 /nfs/dbraw/zinc/10/92/82/388109282.db2.gz HOROYBDTDWSNTC-UHFFFAOYSA-N 0 0 249.354 3.850 20 0 BHADRN CCc1csc(N2CC[C@H](CC(C)C)C2)n1 ZINC000465053244 388108901 /nfs/dbraw/zinc/10/89/01/388108901.db2.gz JYMOPRWCRJWELW-LLVKDONJSA-N 0 0 238.400 3.578 20 0 BHADRN CCc1csc(N2CC[C@@H](CC(C)C)C2)n1 ZINC000465053245 388108856 /nfs/dbraw/zinc/10/88/56/388108856.db2.gz JYMOPRWCRJWELW-NSHDSACASA-N 0 0 238.400 3.578 20 0 BHADRN CCN(Cc1ccccc1)C(=O)CC(C)(C)CC ZINC000465053288 528817759 /nfs/dbraw/zinc/81/77/59/528817759.db2.gz RAPVCSWGKHZKNA-UHFFFAOYSA-N 0 0 247.382 3.861 20 0 BHADRN CCC(C)(C)CC(=O)N(C)C1CCCCC1 ZINC000465053392 388109262 /nfs/dbraw/zinc/10/92/62/388109262.db2.gz SHZMIGZPXHUZCH-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1nc(N2CC[C@H](CC(C)C)C2)sc1C ZINC000465053594 384572772 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BHADRN CCC1(C(=O)N2CCCCC[C@H]2C)CCCC1 ZINC000465463221 388113442 /nfs/dbraw/zinc/11/34/42/388113442.db2.gz RSJMSLPMVZJVQE-CYBMUJFWSA-N 0 0 237.387 3.748 20 0 BHADRN CCC1(C(=O)N2CCCCC[C@@H]2C)CCCC1 ZINC000465463222 528985339 /nfs/dbraw/zinc/98/53/39/528985339.db2.gz RSJMSLPMVZJVQE-ZDUSSCGKSA-N 0 0 237.387 3.748 20 0 BHADRN CCC(CC)(CC)NC(=O)NCCCC(C)C ZINC000465536372 528632517 /nfs/dbraw/zinc/63/25/17/528632517.db2.gz AFEVJHYCKDZFBJ-UHFFFAOYSA-N 0 0 242.407 3.691 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)NCCCC(C)C ZINC000465542080 529333960 /nfs/dbraw/zinc/33/39/60/529333960.db2.gz NCVCIZQCRPHEND-CHWSQXEVSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)NCCCC(C)C ZINC000465542081 388113401 /nfs/dbraw/zinc/11/34/01/388113401.db2.gz NCVCIZQCRPHEND-OLZOCXBDSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)NCCCC(C)C ZINC000465542083 388113446 /nfs/dbraw/zinc/11/34/46/388113446.db2.gz NCVCIZQCRPHEND-QWHCGFSZSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)NCCCC(C)C ZINC000465542085 388113660 /nfs/dbraw/zinc/11/36/60/388113660.db2.gz NCVCIZQCRPHEND-STQMWFEESA-N 0 0 242.407 3.547 20 0 BHADRN CC(C)=CCOc1cccc(C(=O)OC(C)C)c1 ZINC000465565592 388113841 /nfs/dbraw/zinc/11/38/41/388113841.db2.gz GPFBVSYSJYRFAR-UHFFFAOYSA-N 0 0 248.322 3.597 20 0 BHADRN CC(C)OC(=O)C1CCC(c2ccccc2)CC1 ZINC000465636051 388114385 /nfs/dbraw/zinc/11/43/85/388114385.db2.gz XVRWNMDYSOWPPM-UHFFFAOYSA-N 0 0 246.350 3.912 20 0 BHADRN CCC(CC)(CC)NC(=O)NCCC(C)(C)C ZINC000465662891 388114388 /nfs/dbraw/zinc/11/43/88/388114388.db2.gz SLWYDLFTADBRMD-UHFFFAOYSA-N 0 0 242.407 3.691 20 0 BHADRN Cc1cc2cc(C(=O)OC(C)C)oc2cc1C ZINC000465665632 388114330 /nfs/dbraw/zinc/11/43/30/388114330.db2.gz VJSRHLPGGKSCMX-UHFFFAOYSA-N 0 0 232.279 3.615 20 0 BHADRN CCOC(=O)c1ccc(-c2ccc(CC)cc2)o1 ZINC000465668782 388114121 /nfs/dbraw/zinc/11/41/21/388114121.db2.gz ZFOJDOHSFOOWDL-UHFFFAOYSA-N 0 0 244.290 3.686 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)NCCC(C)(C)C ZINC000465669481 388114164 /nfs/dbraw/zinc/11/41/64/388114164.db2.gz UFMGWGAZTIVILJ-NEPJUHHUSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)NCCC(C)(C)C ZINC000465669482 529677143 /nfs/dbraw/zinc/67/71/43/529677143.db2.gz UFMGWGAZTIVILJ-NWDGAFQWSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)NCCC(C)(C)C ZINC000465669484 388114405 /nfs/dbraw/zinc/11/44/05/388114405.db2.gz UFMGWGAZTIVILJ-RYUDHWBXSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)NCCC(C)(C)C ZINC000465669486 388114092 /nfs/dbraw/zinc/11/40/92/388114092.db2.gz UFMGWGAZTIVILJ-VXGBXAGGSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)CC ZINC000465737345 388114666 /nfs/dbraw/zinc/11/46/66/388114666.db2.gz HYNDURKOFFEWTK-CYDGBPFRSA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000465737346 388115144 /nfs/dbraw/zinc/11/51/44/388115144.db2.gz HYNDURKOFFEWTK-QNWHQSFQSA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000465737347 388115044 /nfs/dbraw/zinc/11/50/44/388115044.db2.gz HYNDURKOFFEWTK-RNJOBUHISA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)CC ZINC000465737348 388114764 /nfs/dbraw/zinc/11/47/64/388114764.db2.gz HYNDURKOFFEWTK-ZDEQEGDKSA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)NC(CC)(CC)CC ZINC000465756605 529412343 /nfs/dbraw/zinc/41/23/43/529412343.db2.gz QKAOYSFMPLSVTG-NEPJUHHUSA-N 0 0 242.407 3.689 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)NC(CC)(CC)CC ZINC000465756606 388114781 /nfs/dbraw/zinc/11/47/81/388114781.db2.gz QKAOYSFMPLSVTG-NWDGAFQWSA-N 0 0 242.407 3.689 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)NC(CC)(CC)CC ZINC000465756607 529240276 /nfs/dbraw/zinc/24/02/76/529240276.db2.gz QKAOYSFMPLSVTG-RYUDHWBXSA-N 0 0 242.407 3.689 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)NC(CC)(CC)CC ZINC000465756608 529392619 /nfs/dbraw/zinc/39/26/19/529392619.db2.gz QKAOYSFMPLSVTG-VXGBXAGGSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](CC)NC(=O)N[C@@H](C)C[C@H](C)CC ZINC000465784143 388115069 /nfs/dbraw/zinc/11/50/69/388115069.db2.gz LGBQRUGHIIVKSB-AGIUHOORSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](CC)NC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000465784144 388115196 /nfs/dbraw/zinc/11/51/96/388115196.db2.gz LGBQRUGHIIVKSB-AVGNSLFASA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](CC)NC(=O)N[C@H](C)C[C@H](C)CC ZINC000465784145 388114726 /nfs/dbraw/zinc/11/47/26/388114726.db2.gz LGBQRUGHIIVKSB-UPJWGTAASA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](CC)NC(=O)N[C@H](C)C[C@@H](C)CC ZINC000465784146 388115032 /nfs/dbraw/zinc/11/50/32/388115032.db2.gz LGBQRUGHIIVKSB-XQQFMLRXSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@@H](CC)NC(=O)NC(CC)(CC)CC ZINC000465786454 388114823 /nfs/dbraw/zinc/11/48/23/388114823.db2.gz RMEPVHHZRHKFBG-GFCCVEGCSA-N 0 0 242.407 3.833 20 0 BHADRN CCC[C@H](CC)NC(=O)NC(CC)(CC)CC ZINC000465786456 528099495 /nfs/dbraw/zinc/09/94/95/528099495.db2.gz RMEPVHHZRHKFBG-LBPRGKRZSA-N 0 0 242.407 3.833 20 0 BHADRN CCC(CC)CNC(=O)NC(CC)(CC)CC ZINC000465956200 388115526 /nfs/dbraw/zinc/11/55/26/388115526.db2.gz OOAPMJMCEBMKKA-UHFFFAOYSA-N 0 0 242.407 3.691 20 0 BHADRN CCC(CC)CNC(=O)N[C@@H](C)C[C@H](C)CC ZINC000465960714 388115861 /nfs/dbraw/zinc/11/58/61/388115861.db2.gz VUTRKITUTQCSEY-NEPJUHHUSA-N 0 0 242.407 3.547 20 0 BHADRN CCC(CC)CNC(=O)N[C@H](C)C[C@@H](C)CC ZINC000465960715 388115751 /nfs/dbraw/zinc/11/57/51/388115751.db2.gz VUTRKITUTQCSEY-NWDGAFQWSA-N 0 0 242.407 3.547 20 0 BHADRN CCC(CC)CNC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000465960716 528760155 /nfs/dbraw/zinc/76/01/55/528760155.db2.gz VUTRKITUTQCSEY-RYUDHWBXSA-N 0 0 242.407 3.547 20 0 BHADRN CCC(CC)CNC(=O)N[C@H](C)C[C@H](C)CC ZINC000465960717 388115455 /nfs/dbraw/zinc/11/54/55/388115455.db2.gz VUTRKITUTQCSEY-VXGBXAGGSA-N 0 0 242.407 3.547 20 0 BHADRN CCC(CC)(CC)NC(=O)NC[C@@H](C)C(C)C ZINC000465987149 388115456 /nfs/dbraw/zinc/11/54/56/388115456.db2.gz JEHBFIHZWCSTJW-GFCCVEGCSA-N 0 0 242.407 3.547 20 0 BHADRN CCC(CC)(CC)NC(=O)NC[C@H](C)C(C)C ZINC000465987150 388115577 /nfs/dbraw/zinc/11/55/77/388115577.db2.gz JEHBFIHZWCSTJW-LBPRGKRZSA-N 0 0 242.407 3.547 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)Nc1ccccc1 ZINC000466157917 388116307 /nfs/dbraw/zinc/11/63/07/388116307.db2.gz OPLCTMVUBFDPCP-CYBMUJFWSA-N 0 0 246.354 3.777 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)Nc1ccccc1 ZINC000466157918 388116135 /nfs/dbraw/zinc/11/61/35/388116135.db2.gz OPLCTMVUBFDPCP-ZDUSSCGKSA-N 0 0 246.354 3.777 20 0 BHADRN CCC[C@H](C)N(C)C(=O)N[C@@H](C)C[C@H](C)CC ZINC000466158052 528043499 /nfs/dbraw/zinc/04/34/99/528043499.db2.gz CAVHREPJEUXZNN-AGIUHOORSA-N 0 0 242.407 3.641 20 0 BHADRN CCC[C@H](C)N(C)C(=O)N[C@@H](C)C[C@@H](C)CC ZINC000466158053 388116643 /nfs/dbraw/zinc/11/66/43/388116643.db2.gz CAVHREPJEUXZNN-AVGNSLFASA-N 0 0 242.407 3.641 20 0 BHADRN CCC[C@H](C)N(C)C(=O)N[C@H](C)C[C@H](C)CC ZINC000466158054 388116272 /nfs/dbraw/zinc/11/62/72/388116272.db2.gz CAVHREPJEUXZNN-UPJWGTAASA-N 0 0 242.407 3.641 20 0 BHADRN CCC[C@H](C)N(C)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000466158055 388116628 /nfs/dbraw/zinc/11/66/28/388116628.db2.gz CAVHREPJEUXZNN-XQQFMLRXSA-N 0 0 242.407 3.641 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)Nc1cccc(C)c1 ZINC000466160070 388116467 /nfs/dbraw/zinc/11/64/67/388116467.db2.gz AXDHQMGEHQGVQH-AAEUAGOBSA-N 0 0 248.370 3.941 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cccc(C)c1 ZINC000466160071 388116169 /nfs/dbraw/zinc/11/61/69/388116169.db2.gz AXDHQMGEHQGVQH-DGCLKSJQSA-N 0 0 248.370 3.941 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)Nc1cccc(C)c1 ZINC000466160072 388116691 /nfs/dbraw/zinc/11/66/91/388116691.db2.gz AXDHQMGEHQGVQH-WCQYABFASA-N 0 0 248.370 3.941 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)Nc1cccc(C)c1 ZINC000466160073 388116107 /nfs/dbraw/zinc/11/61/07/388116107.db2.gz AXDHQMGEHQGVQH-YPMHNXCESA-N 0 0 248.370 3.941 20 0 BHADRN CCCN(CCC)C(=O)N[C@H](C)C[C@H](C)CC ZINC000466161128 388116583 /nfs/dbraw/zinc/11/65/83/388116583.db2.gz IFIBZRWXCIAJNI-CHWSQXEVSA-N 0 0 242.407 3.643 20 0 BHADRN CCCN(CCC)C(=O)N[C@@H](C)C[C@H](C)CC ZINC000466161130 388116711 /nfs/dbraw/zinc/11/67/11/388116711.db2.gz IFIBZRWXCIAJNI-OLZOCXBDSA-N 0 0 242.407 3.643 20 0 BHADRN CCCN(CCC)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000466161131 528048312 /nfs/dbraw/zinc/04/83/12/528048312.db2.gz IFIBZRWXCIAJNI-QWHCGFSZSA-N 0 0 242.407 3.643 20 0 BHADRN CCCN(CCC)C(=O)N[C@@H](C)C[C@@H](C)CC ZINC000466161133 388116547 /nfs/dbraw/zinc/11/65/47/388116547.db2.gz IFIBZRWXCIAJNI-STQMWFEESA-N 0 0 242.407 3.643 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(C)cc1 ZINC000466162686 388116747 /nfs/dbraw/zinc/11/67/47/388116747.db2.gz DULDDYGDOVOLKK-AAEUAGOBSA-N 0 0 248.370 3.941 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(C)cc1 ZINC000466162688 388116190 /nfs/dbraw/zinc/11/61/90/388116190.db2.gz DULDDYGDOVOLKK-DGCLKSJQSA-N 0 0 248.370 3.941 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(C)cc1 ZINC000466162689 529677678 /nfs/dbraw/zinc/67/76/78/529677678.db2.gz DULDDYGDOVOLKK-WCQYABFASA-N 0 0 248.370 3.941 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(C)cc1 ZINC000466162690 388116693 /nfs/dbraw/zinc/11/66/93/388116693.db2.gz DULDDYGDOVOLKK-YPMHNXCESA-N 0 0 248.370 3.941 20 0 BHADRN CCCC(C)(C)NC(=O)N[C@@H](C)C[C@H](C)CC ZINC000466163357 388116746 /nfs/dbraw/zinc/11/67/46/388116746.db2.gz INZDMXRBXMUVQX-NEPJUHHUSA-N 0 0 242.407 3.689 20 0 BHADRN CCCC(C)(C)NC(=O)N[C@H](C)C[C@@H](C)CC ZINC000466163358 388116257 /nfs/dbraw/zinc/11/62/57/388116257.db2.gz INZDMXRBXMUVQX-NWDGAFQWSA-N 0 0 242.407 3.689 20 0 BHADRN CCCC(C)(C)NC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000466163359 527987517 /nfs/dbraw/zinc/98/75/17/527987517.db2.gz INZDMXRBXMUVQX-RYUDHWBXSA-N 0 0 242.407 3.689 20 0 BHADRN CCCC(C)(C)NC(=O)N[C@H](C)C[C@H](C)CC ZINC000466163360 388116526 /nfs/dbraw/zinc/11/65/26/388116526.db2.gz INZDMXRBXMUVQX-VXGBXAGGSA-N 0 0 242.407 3.689 20 0 BHADRN CCCCN(CC)C(=O)N[C@H](C)C[C@H](C)CC ZINC000466164631 528390275 /nfs/dbraw/zinc/39/02/75/528390275.db2.gz IYMNSYUSERIPCL-CHWSQXEVSA-N 0 0 242.407 3.643 20 0 BHADRN CCCCN(CC)C(=O)N[C@@H](C)C[C@H](C)CC ZINC000466164633 388116748 /nfs/dbraw/zinc/11/67/48/388116748.db2.gz IYMNSYUSERIPCL-OLZOCXBDSA-N 0 0 242.407 3.643 20 0 BHADRN CCCCN(CC)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000466164635 388116129 /nfs/dbraw/zinc/11/61/29/388116129.db2.gz IYMNSYUSERIPCL-QWHCGFSZSA-N 0 0 242.407 3.643 20 0 BHADRN CCCCN(CC)C(=O)N[C@@H](C)C[C@@H](C)CC ZINC000466164636 388116580 /nfs/dbraw/zinc/11/65/80/388116580.db2.gz IYMNSYUSERIPCL-STQMWFEESA-N 0 0 242.407 3.643 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)Nc1ccccc1C ZINC000466175920 388116819 /nfs/dbraw/zinc/11/68/19/388116819.db2.gz NPMPUDHOIQSYBP-AAEUAGOBSA-N 0 0 248.370 3.941 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccccc1C ZINC000466175921 388116843 /nfs/dbraw/zinc/11/68/43/388116843.db2.gz NPMPUDHOIQSYBP-DGCLKSJQSA-N 0 0 248.370 3.941 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccccc1C ZINC000466175922 388116812 /nfs/dbraw/zinc/11/68/12/388116812.db2.gz NPMPUDHOIQSYBP-WCQYABFASA-N 0 0 248.370 3.941 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccccc1C ZINC000466175923 388116834 /nfs/dbraw/zinc/11/68/34/388116834.db2.gz NPMPUDHOIQSYBP-YPMHNXCESA-N 0 0 248.370 3.941 20 0 BHADRN CC/C=C\CCN(CC(F)F)CC1CCC1 ZINC000466225806 398018185 /nfs/dbraw/zinc/01/81/85/398018185.db2.gz LLHQSOJTSCWGLW-ARJAWSKDSA-N 0 0 231.330 3.710 20 0 BHADRN CC/C=C/CCN(CC(F)F)CC1CCC1 ZINC000466225807 398018230 /nfs/dbraw/zinc/01/82/30/398018230.db2.gz LLHQSOJTSCWGLW-ONEGZZNKSA-N 0 0 231.330 3.710 20 0 BHADRN CC(C)(C)CNC(=O)NC(C)(C)CC(C)(C)C ZINC000466227048 398017988 /nfs/dbraw/zinc/01/79/88/398017988.db2.gz QDUSELHEYVNKHB-UHFFFAOYSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000466239691 398018251 /nfs/dbraw/zinc/01/82/51/398018251.db2.gz CARLVFUYYVOBQK-JTTNIQEDSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000466239692 398017640 /nfs/dbraw/zinc/01/76/40/398017640.db2.gz CARLVFUYYVOBQK-UTGUJQJDSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000466239693 398018810 /nfs/dbraw/zinc/01/88/10/398018810.db2.gz CARLVFUYYVOBQK-UTHRFFRBSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000466239694 398018881 /nfs/dbraw/zinc/01/88/81/398018881.db2.gz CARLVFUYYVOBQK-ZHMBSYLPSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)NC(C)(C)C ZINC000466242245 398018871 /nfs/dbraw/zinc/01/88/71/398018871.db2.gz UGSUUPWPRVNGEF-UHFFFAOYSA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N[C@@H](C)C1CCCCC1 ZINC000466250677 398018867 /nfs/dbraw/zinc/01/88/67/398018867.db2.gz MHOHKXPKENZDKL-CORIIIEPSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)C1CCCCC1 ZINC000466250678 398018958 /nfs/dbraw/zinc/01/89/58/398018958.db2.gz MHOHKXPKENZDKL-NJZAAPMLSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N[C@H](C)C1CCCCC1 ZINC000466250679 398018780 /nfs/dbraw/zinc/01/87/80/398018780.db2.gz MHOHKXPKENZDKL-OSAQELSMSA-N 0 0 237.387 3.508 20 0 BHADRN 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529050943 /nfs/dbraw/zinc/05/09/43/529050943.db2.gz GSNRHYDBBDEGAE-NHYWBVRUSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@@H]1C[C@@]1(C)CC)c1ccccc1F ZINC000466401021 388117952 /nfs/dbraw/zinc/11/79/52/388117952.db2.gz GSNRHYDBBDEGAE-XHDPSFHLSA-N 0 0 249.329 3.615 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N(CC(C)C)CC(C)C ZINC000466401177 388117889 /nfs/dbraw/zinc/11/78/89/388117889.db2.gz YFNSRPDMHNWESG-DZGCQCFKSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)N(CC(C)C)CC(C)C ZINC000466401178 529534238 /nfs/dbraw/zinc/53/42/38/529534238.db2.gz YFNSRPDMHNWESG-HIFRSBDPSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N(CC(C)C)CC(C)C ZINC000466401179 388117655 /nfs/dbraw/zinc/11/76/55/388117655.db2.gz YFNSRPDMHNWESG-UKRRQHHQSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)N(CC(C)C)CC(C)C ZINC000466401180 529536386 /nfs/dbraw/zinc/53/63/86/529536386.db2.gz YFNSRPDMHNWESG-ZFWWWQNUSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)CCC(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000466402100 388117642 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/nfs/dbraw/zinc/11/85/00/388118500.db2.gz SMEJEWIAWNUEHV-UKRRQHHQSA-N 0 0 231.339 3.624 20 0 BHADRN CCc1ccc(NC(=O)[C@@H]2C[C@]2(C)CC)cc1 ZINC000466406271 388118311 /nfs/dbraw/zinc/11/83/11/388118311.db2.gz SMEJEWIAWNUEHV-ZFWWWQNUSA-N 0 0 231.339 3.624 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000466409281 385319142 /nfs/dbraw/zinc/31/91/42/385319142.db2.gz KDVQIKANFDISRK-BXUZGUMPSA-N 0 0 235.302 3.509 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000466409282 385319223 /nfs/dbraw/zinc/31/92/23/385319223.db2.gz KDVQIKANFDISRK-FZMZJTMJSA-N 0 0 235.302 3.509 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000466409283 219866314 /nfs/dbraw/zinc/86/63/14/219866314.db2.gz KDVQIKANFDISRK-RISCZKNCSA-N 0 0 235.302 3.509 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000466409284 385318506 /nfs/dbraw/zinc/31/85/06/385318506.db2.gz KDVQIKANFDISRK-SMDDNHRTSA-N 0 0 235.302 3.509 20 0 BHADRN CC1(C)CN(C(=O)C[C@@H]2C=CCC2)CC(C)(C)C1 ZINC000466411578 388118748 /nfs/dbraw/zinc/11/87/48/388118748.db2.gz CNRNFBOXAUYGMF-CYBMUJFWSA-N 0 0 249.398 3.627 20 0 BHADRN CC1(C)CN(C(=O)C[C@H]2C=CCC2)CC(C)(C)C1 ZINC000466411579 388118624 /nfs/dbraw/zinc/11/86/24/388118624.db2.gz CNRNFBOXAUYGMF-ZDUSSCGKSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)c1ccc(NC(=O)NCCC2CC2)cc1 ZINC000466412106 388118664 /nfs/dbraw/zinc/11/86/64/388118664.db2.gz KYOJLOLASUBORL-UHFFFAOYSA-N 0 0 246.354 3.732 20 0 BHADRN CCC(C)(C)C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000466413009 388118699 /nfs/dbraw/zinc/11/86/99/388118699.db2.gz AJQDOWSNZDLMKO-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@]1(C)CC ZINC000466415926 388118282 /nfs/dbraw/zinc/11/82/82/388118282.db2.gz XDQGCOPGDCEGBY-CXTNEJHOSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@]1(C)CC ZINC000466415927 388118489 /nfs/dbraw/zinc/11/84/89/388118489.db2.gz XDQGCOPGDCEGBY-GUIRCDHDSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@]1(C)CC ZINC000466415928 388118755 /nfs/dbraw/zinc/11/87/55/388118755.db2.gz XDQGCOPGDCEGBY-OSFYFWSMSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@]1(C)CC ZINC000466415929 388118371 /nfs/dbraw/zinc/11/83/71/388118371.db2.gz XDQGCOPGDCEGBY-UKTARXLSSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)CCCC(C)C ZINC000466421745 529410643 /nfs/dbraw/zinc/41/06/43/529410643.db2.gz GXZXPPKFHYJAGY-GZBFAFLISA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N[C@@H](C)CCCC(C)C ZINC000466421746 388118690 /nfs/dbraw/zinc/11/86/90/388118690.db2.gz GXZXPPKFHYJAGY-KCQAQPDRSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@H](C)CCCC(C)C ZINC000466421747 388118653 /nfs/dbraw/zinc/11/86/53/388118653.db2.gz GXZXPPKFHYJAGY-UMVBOHGHSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N[C@H](C)CCCC(C)C ZINC000466421748 388118220 /nfs/dbraw/zinc/11/82/20/388118220.db2.gz GXZXPPKFHYJAGY-VNHYZAJKSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000466424894 388118697 /nfs/dbraw/zinc/11/86/97/388118697.db2.gz IACCFOFHGGWOCS-DZGCQCFKSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000466425037 529535540 /nfs/dbraw/zinc/53/55/40/529535540.db2.gz IACCFOFHGGWOCS-HIFRSBDPSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000466425038 388118354 /nfs/dbraw/zinc/11/83/54/388118354.db2.gz IACCFOFHGGWOCS-UKRRQHHQSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000466425040 388118694 /nfs/dbraw/zinc/11/86/94/388118694.db2.gz IACCFOFHGGWOCS-ZFWWWQNUSA-N 0 0 231.339 3.678 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000466426945 529534832 /nfs/dbraw/zinc/53/48/32/529534832.db2.gz ULKXBAMSTVAPTQ-ABAIWWIYSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000466426946 529410079 /nfs/dbraw/zinc/41/00/79/529410079.db2.gz ULKXBAMSTVAPTQ-IAQYHMDHSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000466426947 388118718 /nfs/dbraw/zinc/11/87/18/388118718.db2.gz ULKXBAMSTVAPTQ-NHYWBVRUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000466426948 388118662 /nfs/dbraw/zinc/11/86/62/388118662.db2.gz ULKXBAMSTVAPTQ-XHDPSFHLSA-N 0 0 239.403 3.754 20 0 BHADRN CCC1CCC(NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000466430854 388118235 /nfs/dbraw/zinc/11/82/35/388118235.db2.gz LOFGFWSUIAUGCP-DVTFPSANSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1CCC(NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000466430855 388118692 /nfs/dbraw/zinc/11/86/92/388118692.db2.gz LOFGFWSUIAUGCP-NSOJWWLLSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1CCC(NC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000466430856 388118656 /nfs/dbraw/zinc/11/86/56/388118656.db2.gz LOFGFWSUIAUGCP-SJQFEJMWSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1CCC(NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000466430857 388118290 /nfs/dbraw/zinc/11/82/90/388118290.db2.gz LOFGFWSUIAUGCP-UJFKTDLFSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCc1csc(Nc2ccccn2)n1 ZINC000466448070 527869277 /nfs/dbraw/zinc/86/92/77/527869277.db2.gz HCAZXJRXYAQGNM-UHFFFAOYSA-N 0 0 247.367 3.870 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000466448084 388118273 /nfs/dbraw/zinc/11/82/73/388118273.db2.gz HJVBVKQTCVKSAI-AXAPSJFSSA-N 0 0 243.350 3.573 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N1C[C@H](C)c2ccccc21 ZINC000466448085 529412026 /nfs/dbraw/zinc/41/20/26/529412026.db2.gz HJVBVKQTCVKSAI-DETPVDSQSA-N 0 0 243.350 3.573 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](C)c2ccccc21 ZINC000466448086 388118668 /nfs/dbraw/zinc/11/86/68/388118668.db2.gz HJVBVKQTCVKSAI-NORZTCDRSA-N 0 0 243.350 3.573 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000466448087 388118720 /nfs/dbraw/zinc/11/87/20/388118720.db2.gz HJVBVKQTCVKSAI-PVXIVEMSSA-N 0 0 243.350 3.573 20 0 BHADRN CC(C)CCc1csc(-c2ccco2)n1 ZINC000466448223 388118714 /nfs/dbraw/zinc/11/87/14/388118714.db2.gz IBICVDSWKKTCGY-UHFFFAOYSA-N 0 0 221.325 3.992 20 0 BHADRN CC(C)CCc1csc(-c2ccoc2)n1 ZINC000466450172 388118672 /nfs/dbraw/zinc/11/86/72/388118672.db2.gz SKJDSKWLQRBVAP-UHFFFAOYSA-N 0 0 221.325 3.992 20 0 BHADRN CC(C)CCc1csc(CC(F)(F)F)n1 ZINC000466453390 388118709 /nfs/dbraw/zinc/11/87/09/388118709.db2.gz IJJFOBUNABWGCW-UHFFFAOYSA-N 0 0 237.290 3.837 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@@H]1C[C@@]1(C)CC ZINC000466456638 388118733 /nfs/dbraw/zinc/11/87/33/388118733.db2.gz SDLBCARWQGMHOC-DZGCQCFKSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@H]1C[C@]1(C)CC ZINC000466456639 528743216 /nfs/dbraw/zinc/74/32/16/528743216.db2.gz SDLBCARWQGMHOC-HIFRSBDPSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@H]1C[C@@]1(C)CC ZINC000466456640 388118562 /nfs/dbraw/zinc/11/85/62/388118562.db2.gz SDLBCARWQGMHOC-UKRRQHHQSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@@H]1C[C@]1(C)CC ZINC000466456641 388118643 /nfs/dbraw/zinc/11/86/43/388118643.db2.gz SDLBCARWQGMHOC-ZFWWWQNUSA-N 0 0 239.403 3.707 20 0 BHADRN FC(F)(F)Oc1ccccc1OC1CCCC1 ZINC000466458709 534409451 /nfs/dbraw/zinc/40/94/51/534409451.db2.gz WNPZURQSQDXNTF-UHFFFAOYSA-N 0 0 246.228 3.907 20 0 BHADRN CC/C=C\CCOc1ccc(C(C)=O)cc1F ZINC000466479111 388119437 /nfs/dbraw/zinc/11/94/37/388119437.db2.gz PTFBPZFWCOIUFX-PLNGDYQASA-N 0 0 236.286 3.763 20 0 BHADRN CC/C=C/CCOc1ccc(C(C)=O)cc1C ZINC000466479665 388119330 /nfs/dbraw/zinc/11/93/30/388119330.db2.gz ZVGYPUVJNPFUAX-AATRIKPKSA-N 0 0 232.323 3.933 20 0 BHADRN CC/C=C\CCOc1ccc(C(C)=O)cc1C ZINC000466479666 528791641 /nfs/dbraw/zinc/79/16/41/528791641.db2.gz ZVGYPUVJNPFUAX-WAYWQWQTSA-N 0 0 232.323 3.933 20 0 BHADRN CC/C=C\CCOc1cc(F)ccc1F ZINC000466481168 388119266 /nfs/dbraw/zinc/11/92/66/388119266.db2.gz KQYLVXZIMYEDDW-ARJAWSKDSA-N 0 0 212.239 3.700 20 0 BHADRN CC/C=C/CCOc1cc(F)ccc1F ZINC000466481169 388119054 /nfs/dbraw/zinc/11/90/54/388119054.db2.gz KQYLVXZIMYEDDW-ONEGZZNKSA-N 0 0 212.239 3.700 20 0 BHADRN CC/C=C\CCSc1ccc(C)cn1 ZINC000466481789 385353750 /nfs/dbraw/zinc/35/37/50/385353750.db2.gz LUGOGYNCDZJMEL-PLNGDYQASA-N 0 0 207.342 3.838 20 0 BHADRN CC/C=C/CCSc1ccc(C)cn1 ZINC000466481790 385353177 /nfs/dbraw/zinc/35/31/77/385353177.db2.gz LUGOGYNCDZJMEL-SNAWJCMRSA-N 0 0 207.342 3.838 20 0 BHADRN CC/C=C\CCSc1nnc(C(C)(C)C)o1 ZINC000466484794 388119400 /nfs/dbraw/zinc/11/94/00/388119400.db2.gz JOJQFJVSZNSGNE-SREVYHEPSA-N 0 0 240.372 3.816 20 0 BHADRN CC/C=C\CCOc1ccc(C(C)=O)c(F)c1 ZINC000466485168 388119277 /nfs/dbraw/zinc/11/92/77/388119277.db2.gz PCVPBNVYMSMAFW-PLNGDYQASA-N 0 0 236.286 3.763 20 0 BHADRN CC/C=C\CCSc1ccc(O)cc1 ZINC000466486379 528792498 /nfs/dbraw/zinc/79/24/98/528792498.db2.gz LFVOHJSLEKOBRN-ARJAWSKDSA-N 0 0 208.326 3.841 20 0 BHADRN CC/C=C/CCSc1ccc(O)cc1 ZINC000466486380 388119426 /nfs/dbraw/zinc/11/94/26/388119426.db2.gz LFVOHJSLEKOBRN-ONEGZZNKSA-N 0 0 208.326 3.841 20 0 BHADRN CC/C=C\CCSc1nnc(C(C)(C)C)[nH]1 ZINC000466486698 388119386 /nfs/dbraw/zinc/11/93/86/388119386.db2.gz QCCANCHMVCCJKH-SREVYHEPSA-N 0 0 239.388 3.551 20 0 BHADRN CC/C=C\CCSc1ccccc1O ZINC000466487257 528792293 /nfs/dbraw/zinc/79/22/93/528792293.db2.gz ZVPZDASPNYHHPY-ARJAWSKDSA-N 0 0 208.326 3.841 20 0 BHADRN CC/C=C/CCSc1ccccc1O ZINC000466487258 388119037 /nfs/dbraw/zinc/11/90/37/388119037.db2.gz ZVPZDASPNYHHPY-ONEGZZNKSA-N 0 0 208.326 3.841 20 0 BHADRN CC/C=C\CCOc1cc(F)ccc1C(C)=O ZINC000466488872 388119450 /nfs/dbraw/zinc/11/94/50/388119450.db2.gz NUVOQHYUHXZFMY-PLNGDYQASA-N 0 0 236.286 3.763 20 0 BHADRN CC/C=C/CCOc1cc(F)ccc1C(C)=O ZINC000466488873 388119029 /nfs/dbraw/zinc/11/90/29/388119029.db2.gz NUVOQHYUHXZFMY-SNAWJCMRSA-N 0 0 236.286 3.763 20 0 BHADRN CC/C=C\CCSc1cccc(O)c1 ZINC000466489471 388119072 /nfs/dbraw/zinc/11/90/72/388119072.db2.gz RSXOYSJIGZBNJZ-ARJAWSKDSA-N 0 0 208.326 3.841 20 0 BHADRN CC/C=C/CCSc1cccc(O)c1 ZINC000466489472 388119145 /nfs/dbraw/zinc/11/91/45/388119145.db2.gz RSXOYSJIGZBNJZ-ONEGZZNKSA-N 0 0 208.326 3.841 20 0 BHADRN CC/C=C\CCn1cc(-c2ccccc2)cn1 ZINC000466492196 388118981 /nfs/dbraw/zinc/11/89/81/388118981.db2.gz BXMNVMLXTXCUTM-ARJAWSKDSA-N 0 0 226.323 3.906 20 0 BHADRN CC/C=C/CCn1cc(-c2ccccc2)cn1 ZINC000466492197 528774517 /nfs/dbraw/zinc/77/45/17/528774517.db2.gz BXMNVMLXTXCUTM-ONEGZZNKSA-N 0 0 226.323 3.906 20 0 BHADRN CC/C=C\CCSc1ncc(C(C)C)n1C ZINC000466492996 388119213 /nfs/dbraw/zinc/11/92/13/388119213.db2.gz SDRSDOJUWNVNHJ-SREVYHEPSA-N 0 0 238.400 3.992 20 0 BHADRN CC/C=C/CCSc1ncc(C(C)C)n1C ZINC000466492997 388119411 /nfs/dbraw/zinc/11/94/11/388119411.db2.gz SDRSDOJUWNVNHJ-VOTSOKGWSA-N 0 0 238.400 3.992 20 0 BHADRN CC/C=C/CCOc1cc(C)ccc1C(C)=O ZINC000466494379 388118685 /nfs/dbraw/zinc/11/86/85/388118685.db2.gz CQPNFSGQQCSHOB-AATRIKPKSA-N 0 0 232.323 3.933 20 0 BHADRN CC/C=C\CCOc1cc(C)ccc1C(C)=O ZINC000466494380 388118737 /nfs/dbraw/zinc/11/87/37/388118737.db2.gz CQPNFSGQQCSHOB-WAYWQWQTSA-N 0 0 232.323 3.933 20 0 BHADRN CC/C=C\CCOc1cccc(F)c1F ZINC000466501569 388119349 /nfs/dbraw/zinc/11/93/49/388119349.db2.gz DCUWQSBBYJSROW-ARJAWSKDSA-N 0 0 212.239 3.700 20 0 BHADRN CC/C=C/CCOc1cccc(F)c1F ZINC000466501570 528774281 /nfs/dbraw/zinc/77/42/81/528774281.db2.gz DCUWQSBBYJSROW-ONEGZZNKSA-N 0 0 212.239 3.700 20 0 BHADRN CCCC[C@H](CC)C(=O)NC[C@H]1CCC[C@H]1C ZINC000466610276 388120768 /nfs/dbraw/zinc/12/07/68/388120768.db2.gz LGSFOVQDXSAHPM-HZSPNIEDSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](CC)C(=O)NC[C@@H]1CCC[C@@H]1C ZINC000466610277 388120592 /nfs/dbraw/zinc/12/05/92/388120592.db2.gz LGSFOVQDXSAHPM-IHRRRGAJSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](CC)C(=O)NC[C@H]1CCC[C@@H]1C ZINC000466610278 528901646 /nfs/dbraw/zinc/90/16/46/528901646.db2.gz LGSFOVQDXSAHPM-MELADBBJSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](CC)C(=O)NC[C@@H]1CCC[C@H]1C ZINC000466610279 388120563 /nfs/dbraw/zinc/12/05/63/388120563.db2.gz LGSFOVQDXSAHPM-RDBSUJKOSA-N 0 0 239.403 3.755 20 0 BHADRN CCC1(C(=O)NC[C@H]2CCC[C@H]2C)CCCC1 ZINC000466623426 388120390 /nfs/dbraw/zinc/12/03/90/388120390.db2.gz QAUVGKFURUOPAH-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(C(=O)NC[C@@H]2CCC[C@H]2C)CCCC1 ZINC000466623427 388120442 /nfs/dbraw/zinc/12/04/42/388120442.db2.gz QAUVGKFURUOPAH-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(C(=O)NC[C@H]2CCC[C@@H]2C)CCCC1 ZINC000466623428 388120783 /nfs/dbraw/zinc/12/07/83/388120783.db2.gz QAUVGKFURUOPAH-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(C(=O)NC[C@@H]2CCC[C@@H]2C)CCCC1 ZINC000466623429 528998127 /nfs/dbraw/zinc/99/81/27/528998127.db2.gz QAUVGKFURUOPAH-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1CCCC(C)(C)C1 ZINC000466630688 388120300 /nfs/dbraw/zinc/12/03/00/388120300.db2.gz JCPITTRZQROCTJ-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1CCCC(C)(C)C1 ZINC000466630689 533462270 /nfs/dbraw/zinc/46/22/70/533462270.db2.gz JCPITTRZQROCTJ-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)NCC(C)(C)CC(C)C ZINC000466633523 388120620 /nfs/dbraw/zinc/12/06/20/388120620.db2.gz FHEOHVBGFMUKAT-DOMZBBRYSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)NCC(C)(C)CC(C)C ZINC000466633525 388120423 /nfs/dbraw/zinc/12/04/23/388120423.db2.gz FHEOHVBGFMUKAT-IUODEOHRSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)NCC(C)(C)CC(C)C ZINC000466633526 388120653 /nfs/dbraw/zinc/12/06/53/388120653.db2.gz FHEOHVBGFMUKAT-SWLSCSKDSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)NCC(C)(C)CC(C)C ZINC000466633528 529536808 /nfs/dbraw/zinc/53/68/08/529536808.db2.gz FHEOHVBGFMUKAT-WFASDCNBSA-N 0 0 239.403 3.611 20 0 BHADRN CC1(C)CCCN(C(=O)[C@H]2CC23CCCCC3)C1 ZINC000466645490 528928759 /nfs/dbraw/zinc/92/87/59/528928759.db2.gz UWCGUOIHNLHKMM-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN CC1(C)CCCN(C(=O)[C@@H]2CC23CCCCC3)C1 ZINC000466645491 528928616 /nfs/dbraw/zinc/92/86/16/528928616.db2.gz UWCGUOIHNLHKMM-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@H]1C[C@@H](C)CN1c1nc2ccccc2s1 ZINC000466654428 388120737 /nfs/dbraw/zinc/12/07/37/388120737.db2.gz ODIVRZHLEZUVHX-GHMZBOCLSA-N 0 0 246.379 3.921 20 0 BHADRN CC[C@H]1C[C@@H](C)CN1c1nc2ccccc2s1 ZINC000466654429 529316809 /nfs/dbraw/zinc/31/68/09/529316809.db2.gz ODIVRZHLEZUVHX-MNOVXSKESA-N 0 0 246.379 3.921 20 0 BHADRN CC[C@H]1C[C@H](C)CN1c1nc2ccccc2s1 ZINC000466654430 388120773 /nfs/dbraw/zinc/12/07/73/388120773.db2.gz ODIVRZHLEZUVHX-QWRGUYRKSA-N 0 0 246.379 3.921 20 0 BHADRN CC[C@@H]1C[C@H](C)CN1c1nc2ccccc2s1 ZINC000466654431 388120624 /nfs/dbraw/zinc/12/06/24/388120624.db2.gz ODIVRZHLEZUVHX-WDEREUQCSA-N 0 0 246.379 3.921 20 0 BHADRN CC[C@H]1C[C@@H](C)CN1c1nc2cc(C)ccc2o1 ZINC000466655690 388120699 /nfs/dbraw/zinc/12/06/99/388120699.db2.gz HBRFCVNPXGARNW-NEPJUHHUSA-N 0 0 244.338 3.761 20 0 BHADRN CC[C@@H]1C[C@H](C)CN1c1nc2cc(C)ccc2o1 ZINC000466655691 388120651 /nfs/dbraw/zinc/12/06/51/388120651.db2.gz HBRFCVNPXGARNW-NWDGAFQWSA-N 0 0 244.338 3.761 20 0 BHADRN CC[C@H]1C[C@H](C)CN1c1nc2cc(C)ccc2o1 ZINC000466655692 388120425 /nfs/dbraw/zinc/12/04/25/388120425.db2.gz HBRFCVNPXGARNW-RYUDHWBXSA-N 0 0 244.338 3.761 20 0 BHADRN CC[C@@H]1C[C@@H](C)CN1c1nc2cc(C)ccc2o1 ZINC000466655693 388120766 /nfs/dbraw/zinc/12/07/66/388120766.db2.gz HBRFCVNPXGARNW-VXGBXAGGSA-N 0 0 244.338 3.761 20 0 BHADRN CC[C@@H]1C[C@H](C)CN1c1nc2cc(F)ccc2o1 ZINC000466656874 388120582 /nfs/dbraw/zinc/12/05/82/388120582.db2.gz XLOYXTXFHSCLNS-GXSJLCMTSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@H]1C[C@@H](C)CN1c1nc2cc(F)ccc2o1 ZINC000466656876 388120731 /nfs/dbraw/zinc/12/07/31/388120731.db2.gz XLOYXTXFHSCLNS-KOLCDFICSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@@H]1C[C@@H](C)CN1c1nc2cc(F)ccc2o1 ZINC000466656878 388120786 /nfs/dbraw/zinc/12/07/86/388120786.db2.gz XLOYXTXFHSCLNS-MWLCHTKSSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@H]1C[C@H](C)CN1c1nc2cc(F)ccc2o1 ZINC000466656880 388120495 /nfs/dbraw/zinc/12/04/95/388120495.db2.gz XLOYXTXFHSCLNS-ONGXEEELSA-N 0 0 248.301 3.592 20 0 BHADRN CC(C)CCC(=O)COc1ccccc1Cl ZINC000466727085 527695707 /nfs/dbraw/zinc/69/57/07/527695707.db2.gz GPROFKWVFMDSBI-UHFFFAOYSA-N 0 0 240.730 3.724 20 0 BHADRN CO[C@H](C)CSCc1cccc(Cl)c1F ZINC000466732105 225000964 /nfs/dbraw/zinc/00/09/64/225000964.db2.gz XRPULCVMRWPTGY-MRVPVSSYSA-N 0 0 248.750 3.747 20 0 BHADRN CO[C@@H](C)CSCc1cccc(Cl)c1F ZINC000466732106 225000830 /nfs/dbraw/zinc/00/08/30/225000830.db2.gz XRPULCVMRWPTGY-QMMMGPOBSA-N 0 0 248.750 3.747 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000466743832 528936672 /nfs/dbraw/zinc/93/66/72/528936672.db2.gz AOVASHPXSNVVIB-JTQLQIEISA-N 0 0 249.329 3.934 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000466743833 528383849 /nfs/dbraw/zinc/38/38/49/528383849.db2.gz AOVASHPXSNVVIB-SNVBAGLBSA-N 0 0 249.329 3.934 20 0 BHADRN CCCCC(=O)N1CCCC[C@@H]1CC(C)C ZINC000466750189 528080652 /nfs/dbraw/zinc/08/06/52/528080652.db2.gz BOZLRARFLJHECX-CYBMUJFWSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC(=O)N1CCCC[C@H]1CC(C)C ZINC000466750190 528081042 /nfs/dbraw/zinc/08/10/42/528081042.db2.gz BOZLRARFLJHECX-ZDUSSCGKSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC(=O)N1CCCC[C@H]1CC(C)C ZINC000466754961 528104125 /nfs/dbraw/zinc/10/41/25/528104125.db2.gz NUXMDQAXEWBAAZ-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N1CCCC[C@@H]1CC(C)C ZINC000466754962 528103653 /nfs/dbraw/zinc/10/36/53/528103653.db2.gz NUXMDQAXEWBAAZ-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N1[C@H](C)CC[C@@H]1C ZINC000466768229 528772337 /nfs/dbraw/zinc/77/23/37/528772337.db2.gz NZQXJMVVFWQQRM-HZSPNIEDSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000466768230 528904467 /nfs/dbraw/zinc/90/44/67/528904467.db2.gz NZQXJMVVFWQQRM-IHRRRGAJSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1[C@H](C)CC[C@H]1C ZINC000466768231 528904955 /nfs/dbraw/zinc/90/49/55/528904955.db2.gz NZQXJMVVFWQQRM-MCIONIFRSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1[C@H](C)CC[C@@H]1C ZINC000466768232 528904871 /nfs/dbraw/zinc/90/48/71/528904871.db2.gz NZQXJMVVFWQQRM-MJBXVCDLSA-N 0 0 239.403 3.992 20 0 BHADRN CC(C)C[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC000466772023 528372226 /nfs/dbraw/zinc/37/22/26/528372226.db2.gz RYROHUKYHWVRMW-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC000466772024 528584546 /nfs/dbraw/zinc/58/45/46/528584546.db2.gz RYROHUKYHWVRMW-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)C[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000466775738 528371023 /nfs/dbraw/zinc/37/10/23/528371023.db2.gz HALUVAMRKUALFN-CABCVRRESA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)C[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000466775739 528371612 /nfs/dbraw/zinc/37/16/12/528371612.db2.gz HALUVAMRKUALFN-GJZGRUSLSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)C[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000466775740 528584352 /nfs/dbraw/zinc/58/43/52/528584352.db2.gz HALUVAMRKUALFN-HUUCEWRRSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)C[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000466775741 528585354 /nfs/dbraw/zinc/58/53/54/528585354.db2.gz HALUVAMRKUALFN-LSDHHAIUSA-N 0 0 249.398 3.770 20 0 BHADRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CC(C)(C)C ZINC000466776173 529287723 /nfs/dbraw/zinc/28/77/23/529287723.db2.gz IJEKLWGGZMHCFP-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CC(C)(C)C ZINC000466776174 529279756 /nfs/dbraw/zinc/27/97/56/529279756.db2.gz IJEKLWGGZMHCFP-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCC[C@H]1N(C)C(=O)CC(C)(C)C ZINC000466776175 529209693 /nfs/dbraw/zinc/20/96/93/529209693.db2.gz IJEKLWGGZMHCFP-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CC(C)(C)C ZINC000466776176 529205156 /nfs/dbraw/zinc/20/51/56/529205156.db2.gz IJEKLWGGZMHCFP-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)C(C)C ZINC000466777220 529287898 /nfs/dbraw/zinc/28/78/98/529287898.db2.gz OIKYNPGHIRPMRT-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H](C)C(C)C ZINC000466777221 529280017 /nfs/dbraw/zinc/28/00/17/529280017.db2.gz OIKYNPGHIRPMRT-MCIONIFRSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H](C)C(C)C ZINC000466777222 529288076 /nfs/dbraw/zinc/28/80/76/529288076.db2.gz OIKYNPGHIRPMRT-MGPQQGTHSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)C(C)C ZINC000466777223 529280094 /nfs/dbraw/zinc/28/00/94/529280094.db2.gz OIKYNPGHIRPMRT-MJBXVCDLSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000466777390 528101674 /nfs/dbraw/zinc/10/16/74/528101674.db2.gz KYRVZFNMDOUNAI-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N(C)[C@H]1CCCC[C@H]1CC ZINC000466777391 528101921 /nfs/dbraw/zinc/10/19/21/528101921.db2.gz KYRVZFNMDOUNAI-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1CC ZINC000466777392 528101948 /nfs/dbraw/zinc/10/19/48/528101948.db2.gz KYRVZFNMDOUNAI-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1CC ZINC000466777393 528101743 /nfs/dbraw/zinc/10/17/43/528101743.db2.gz KYRVZFNMDOUNAI-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1CC ZINC000466781353 527992369 /nfs/dbraw/zinc/99/23/69/527992369.db2.gz ZNTHDIAFNUGPDQ-BFHYXJOUSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000466781354 527992945 /nfs/dbraw/zinc/99/29/45/527992945.db2.gz ZNTHDIAFNUGPDQ-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1CC ZINC000466781355 527992641 /nfs/dbraw/zinc/99/26/41/527992641.db2.gz ZNTHDIAFNUGPDQ-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1CC ZINC000466781356 527993258 /nfs/dbraw/zinc/99/32/58/527993258.db2.gz ZNTHDIAFNUGPDQ-MJBXVCDLSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCC(C)C ZINC000466788475 529205399 /nfs/dbraw/zinc/20/53/99/529205399.db2.gz PCZUEKBSUMGPDB-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCC(C)C ZINC000466788476 529279749 /nfs/dbraw/zinc/27/97/49/529279749.db2.gz PCZUEKBSUMGPDB-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCC[C@H]1N(C)C(=O)CCC(C)C ZINC000466788477 529209746 /nfs/dbraw/zinc/20/97/46/529209746.db2.gz PCZUEKBSUMGPDB-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCC(C)C ZINC000466788478 529287701 /nfs/dbraw/zinc/28/77/01/529287701.db2.gz PCZUEKBSUMGPDB-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H]1CCCN(c2nc(C)c(C)s2)C1 ZINC000466819023 527752750 /nfs/dbraw/zinc/75/27/50/527752750.db2.gz IAYDARWBDXZOAI-GFCCVEGCSA-N 0 0 238.400 3.776 20 0 BHADRN CCC[C@H]1CCCN(c2nc(C)c(C)s2)C1 ZINC000466819024 528377416 /nfs/dbraw/zinc/37/74/16/528377416.db2.gz IAYDARWBDXZOAI-LBPRGKRZSA-N 0 0 238.400 3.776 20 0 BHADRN CCC[C@@H]1CCCN(c2nccc3occc32)C1 ZINC000466820413 527752169 /nfs/dbraw/zinc/75/21/69/527752169.db2.gz AVTUUHOJSLOLMD-GFCCVEGCSA-N 0 0 244.338 3.844 20 0 BHADRN CCC[C@H]1CCCN(c2nccc3occc32)C1 ZINC000466820414 528377151 /nfs/dbraw/zinc/37/71/51/528377151.db2.gz AVTUUHOJSLOLMD-LBPRGKRZSA-N 0 0 244.338 3.844 20 0 BHADRN CCC[C@@H]1CCCN(c2ccnc(C(C)C)n2)C1 ZINC000466831063 527751796 /nfs/dbraw/zinc/75/17/96/527751796.db2.gz JZINLYGIKODEOQ-CYBMUJFWSA-N 0 0 247.386 3.617 20 0 BHADRN CCC[C@H]1CCCN(c2ccnc(C(C)C)n2)C1 ZINC000466831064 528376935 /nfs/dbraw/zinc/37/69/35/528376935.db2.gz JZINLYGIKODEOQ-ZDUSSCGKSA-N 0 0 247.386 3.617 20 0 BHADRN CCC[C@@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000466831293 527751844 /nfs/dbraw/zinc/75/18/44/527751844.db2.gz MEWNKKUZTNCIEJ-LLVKDONJSA-N 0 0 238.762 3.752 20 0 BHADRN CCC[C@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000466831294 528376812 /nfs/dbraw/zinc/37/68/12/528376812.db2.gz MEWNKKUZTNCIEJ-NSHDSACASA-N 0 0 238.762 3.752 20 0 BHADRN CCC[C@@H]1CCCN(c2cc(C(C)C)ncn2)C1 ZINC000466832341 527751749 /nfs/dbraw/zinc/75/17/49/527751749.db2.gz PMHOJALTXUHMHV-CYBMUJFWSA-N 0 0 247.386 3.617 20 0 BHADRN CCC[C@H]1CCCN(c2cc(C(C)C)ncn2)C1 ZINC000466832343 528377065 /nfs/dbraw/zinc/37/70/65/528377065.db2.gz PMHOJALTXUHMHV-ZDUSSCGKSA-N 0 0 247.386 3.617 20 0 BHADRN CC/C=C\CCNc1ccccc1CCOC ZINC000466838110 528791390 /nfs/dbraw/zinc/79/13/90/528791390.db2.gz YICYXRDWABDNAM-PLNGDYQASA-N 0 0 233.355 3.644 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC000466841529 527747736 /nfs/dbraw/zinc/74/77/36/527747736.db2.gz MNENRURMEFKWLU-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC000466841530 528373724 /nfs/dbraw/zinc/37/37/24/528373724.db2.gz MNENRURMEFKWLU-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC000466841531 527749572 /nfs/dbraw/zinc/74/95/72/527749572.db2.gz MNENRURMEFKWLU-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC000466841532 528374323 /nfs/dbraw/zinc/37/43/23/528374323.db2.gz MNENRURMEFKWLU-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000466843287 528374174 /nfs/dbraw/zinc/37/41/74/528374174.db2.gz RWJSDYDSSVLWGW-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000466843289 527747209 /nfs/dbraw/zinc/74/72/09/527747209.db2.gz RWJSDYDSSVLWGW-KGLIPLIRSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC000466843290 528373834 /nfs/dbraw/zinc/37/38/34/528373834.db2.gz RWJSDYDSSVLWGW-UONOGXRCSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC000466843292 527749068 /nfs/dbraw/zinc/74/90/68/527749068.db2.gz RWJSDYDSSVLWGW-ZIAGYGMSSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC000466844007 527744879 /nfs/dbraw/zinc/74/48/79/527744879.db2.gz WNYIMKUUEIDUJA-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC000466844008 528371655 /nfs/dbraw/zinc/37/16/55/528371655.db2.gz WNYIMKUUEIDUJA-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC000466848090 527744793 /nfs/dbraw/zinc/74/47/93/527744793.db2.gz IIQCADNZMBBZMO-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC000466848092 528371028 /nfs/dbraw/zinc/37/10/28/528371028.db2.gz IIQCADNZMBBZMO-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCC[C@H](CCC)C1 ZINC000466865646 528023806 /nfs/dbraw/zinc/02/38/06/528023806.db2.gz DDCLXWRENDBQSS-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCC[C@H](CCC)C1 ZINC000466865648 528872539 /nfs/dbraw/zinc/87/25/39/528872539.db2.gz DDCLXWRENDBQSS-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCC[C@@H](CCC)C1 ZINC000466865650 528023563 /nfs/dbraw/zinc/02/35/63/528023563.db2.gz DDCLXWRENDBQSS-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCC[C@@H](CCC)C1 ZINC000466865651 528871694 /nfs/dbraw/zinc/87/16/94/528871694.db2.gz DDCLXWRENDBQSS-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCCCC1(C)C ZINC000466872155 528498802 /nfs/dbraw/zinc/49/88/02/528498802.db2.gz BYFGPGMKYZXZRD-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H]1CCCCC1(C)C ZINC000466872156 528498752 /nfs/dbraw/zinc/49/87/52/528498752.db2.gz BYFGPGMKYZXZRD-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC000466872687 528922484 /nfs/dbraw/zinc/92/24/84/528922484.db2.gz FIJFRFYWJXYQHT-CHWSQXEVSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)[C@H]1CC12CCCC2 ZINC000466872688 528919435 /nfs/dbraw/zinc/91/94/35/528919435.db2.gz FIJFRFYWJXYQHT-OLZOCXBDSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC000466872689 528922704 /nfs/dbraw/zinc/92/27/04/528922704.db2.gz FIJFRFYWJXYQHT-QWHCGFSZSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC000466872690 528918907 /nfs/dbraw/zinc/91/89/07/528918907.db2.gz FIJFRFYWJXYQHT-STQMWFEESA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)CCC1CCC1 ZINC000466873161 528921555 /nfs/dbraw/zinc/92/15/55/528921555.db2.gz HCMGEYPFZIRNQV-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)CCC1CCC1 ZINC000466873162 528917845 /nfs/dbraw/zinc/91/78/45/528917845.db2.gz HCMGEYPFZIRNQV-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@H]1C=CCCC1 ZINC000466873437 528905403 /nfs/dbraw/zinc/90/54/03/528905403.db2.gz JFQKNWWVUQLPCW-KBPBESRZSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N[C@H]1C=CCCC1 ZINC000466873438 528774337 /nfs/dbraw/zinc/77/43/37/528774337.db2.gz JFQKNWWVUQLPCW-KGLIPLIRSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@@H]1C=CCCC1 ZINC000466873439 528905722 /nfs/dbraw/zinc/90/57/22/528905722.db2.gz JFQKNWWVUQLPCW-UONOGXRCSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N[C@@H]1C=CCCC1 ZINC000466873440 528773726 /nfs/dbraw/zinc/77/37/26/528773726.db2.gz JFQKNWWVUQLPCW-ZIAGYGMSSA-N 0 0 237.387 3.818 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)CC1CCCC1 ZINC000466876777 384859033 /nfs/dbraw/zinc/85/90/33/384859033.db2.gz HYCKXNYESZQDTM-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)CC1CCCC1 ZINC000466876778 384860401 /nfs/dbraw/zinc/86/04/01/384860401.db2.gz HYCKXNYESZQDTM-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1ccc(C(=O)N[C@H]2CCCCC2(C)C)cc1 ZINC000466878387 533595331 /nfs/dbraw/zinc/59/53/31/533595331.db2.gz SGGPJNOKDCKVFL-AWEZNQCLSA-N 0 0 245.366 3.694 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CCCCC2(C)C)cc1 ZINC000466878388 225003012 /nfs/dbraw/zinc/00/30/12/225003012.db2.gz SGGPJNOKDCKVFL-CQSZACIVSA-N 0 0 245.366 3.694 20 0 BHADRN CC(C)c1ccc(C(=O)N[C@H]2C=CCCC2)cc1 ZINC000466879017 528078173 /nfs/dbraw/zinc/07/81/73/528078173.db2.gz VWEICRFXKLBCPP-HNNXBMFYSA-N 0 0 243.350 3.649 20 0 BHADRN CC(C)c1ccc(C(=O)N[C@@H]2C=CCCC2)cc1 ZINC000466879018 528075890 /nfs/dbraw/zinc/07/58/90/528075890.db2.gz VWEICRFXKLBCPP-OAHLLOKOSA-N 0 0 243.350 3.649 20 0 BHADRN CC(C)CC1(C(=O)N[C@H]2C=CCCC2)CCCC1 ZINC000466879253 527687510 /nfs/dbraw/zinc/68/75/10/527687510.db2.gz XLGZXEXNWBQJSG-AWEZNQCLSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2C=CCCC2)CCCC1 ZINC000466879254 527686769 /nfs/dbraw/zinc/68/67/69/527686769.db2.gz XLGZXEXNWBQJSG-CQSZACIVSA-N 0 0 249.398 3.818 20 0 BHADRN O=C(CCCC1CCCCC1)N[C@H]1C=CCCC1 ZINC000466886282 225002856 /nfs/dbraw/zinc/00/28/56/225002856.db2.gz CCFRTIHKGYBXKF-HNNXBMFYSA-N 0 0 249.398 3.962 20 0 BHADRN O=C(CCCC1CCCCC1)N[C@@H]1C=CCCC1 ZINC000466886283 225003058 /nfs/dbraw/zinc/00/30/58/225003058.db2.gz CCFRTIHKGYBXKF-OAHLLOKOSA-N 0 0 249.398 3.962 20 0 BHADRN Cc1cccc(C(=O)N[C@H]2CCCCC2(C)C)c1 ZINC000466889685 534622916 /nfs/dbraw/zinc/62/29/16/534622916.db2.gz BJNUSDBXMXCKLQ-AWEZNQCLSA-N 0 0 245.366 3.694 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CCCCC2(C)C)c1 ZINC000466889686 534616453 /nfs/dbraw/zinc/61/64/53/534616453.db2.gz BJNUSDBXMXCKLQ-CQSZACIVSA-N 0 0 245.366 3.694 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000466893831 528918869 /nfs/dbraw/zinc/91/88/69/528918869.db2.gz KTPCQCXSMSBSKQ-RFQIPJPRSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000466893832 528922589 /nfs/dbraw/zinc/92/25/89/528922589.db2.gz KTPCQCXSMSBSKQ-RQJABVFESA-N 0 0 249.398 3.508 20 0 BHADRN CCCNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000466898356 528444393 /nfs/dbraw/zinc/44/43/93/528444393.db2.gz VMENQGGEWVREGU-UHFFFAOYSA-N 0 0 239.746 3.603 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)c1cccc(F)c1 ZINC000466904128 384886337 /nfs/dbraw/zinc/88/63/37/384886337.db2.gz DMFFVHVKXBHQAA-CYBMUJFWSA-N 0 0 249.329 3.524 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)c1cccc(F)c1 ZINC000466904129 528919457 /nfs/dbraw/zinc/91/94/57/528919457.db2.gz DMFFVHVKXBHQAA-ZDUSSCGKSA-N 0 0 249.329 3.524 20 0 BHADRN CC(C)(C)CCC(=O)N[C@@H]1CCCCC1(C)C ZINC000466907248 527652486 /nfs/dbraw/zinc/65/24/86/527652486.db2.gz DQWLUOHPNMRCNL-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)(C)CCC(=O)N[C@H]1CCCCC1(C)C ZINC000466907250 527652063 /nfs/dbraw/zinc/65/20/63/527652063.db2.gz DQWLUOHPNMRCNL-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)CC1=CCCCC1 ZINC000466908755 528918017 /nfs/dbraw/zinc/91/80/17/528918017.db2.gz FQOXXEHMZSYBEV-AWEZNQCLSA-N 0 0 249.398 3.962 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)CC1=CCCCC1 ZINC000466908756 528921145 /nfs/dbraw/zinc/92/11/45/528921145.db2.gz FQOXXEHMZSYBEV-CQSZACIVSA-N 0 0 249.398 3.962 20 0 BHADRN Cc1ccccc1C(=O)N[C@H]1CCCCC1(C)C ZINC000466908818 225004841 /nfs/dbraw/zinc/00/48/41/225004841.db2.gz URRGAJGGTKEMEY-AWEZNQCLSA-N 0 0 245.366 3.694 20 0 BHADRN Cc1ccccc1C(=O)N[C@@H]1CCCCC1(C)C ZINC000466908819 225003991 /nfs/dbraw/zinc/00/39/91/225003991.db2.gz URRGAJGGTKEMEY-CQSZACIVSA-N 0 0 245.366 3.694 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)C1CCCCC1 ZINC000466909009 528921430 /nfs/dbraw/zinc/92/14/30/528921430.db2.gz WEAHWRRELXWUCH-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)C1CCCCC1 ZINC000466909010 528917251 /nfs/dbraw/zinc/91/72/51/528917251.db2.gz WEAHWRRELXWUCH-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H](CC(=O)N[C@@H]1C=CCCC1)C1CCCCC1 ZINC000466910503 533441329 /nfs/dbraw/zinc/44/13/29/533441329.db2.gz VJLXTDCETBWEHS-DZGCQCFKSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](CC(=O)N[C@H]1C=CCCC1)C1CCCCC1 ZINC000466910504 225004815 /nfs/dbraw/zinc/00/48/15/225004815.db2.gz VJLXTDCETBWEHS-HIFRSBDPSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1C=CCCC1)C1CCCCC1 ZINC000466910505 533669509 /nfs/dbraw/zinc/66/95/09/533669509.db2.gz VJLXTDCETBWEHS-UKRRQHHQSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H](CC(=O)N[C@H]1C=CCCC1)C1CCCCC1 ZINC000466910506 225004625 /nfs/dbraw/zinc/00/46/25/225004625.db2.gz VJLXTDCETBWEHS-ZFWWWQNUSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N[C@H]1C=CCCC1 ZINC000466913755 529321276 /nfs/dbraw/zinc/32/12/76/529321276.db2.gz VKSDDGMAXWEECT-CABCVRRESA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)N[C@H]1C=CCCC1 ZINC000466913756 529462005 /nfs/dbraw/zinc/46/20/05/529462005.db2.gz VKSDDGMAXWEECT-GJZGRUSLSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N[C@@H]1C=CCCC1 ZINC000466913757 529320687 /nfs/dbraw/zinc/32/06/87/529320687.db2.gz VKSDDGMAXWEECT-HUUCEWRRSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1C=CCCC1 ZINC000466913758 529462062 /nfs/dbraw/zinc/46/20/62/529462062.db2.gz VKSDDGMAXWEECT-LSDHHAIUSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C=CCCC1 ZINC000466915669 225004667 /nfs/dbraw/zinc/00/46/67/225004667.db2.gz MPYIGBLTZBWZHL-DZGCQCFKSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](CC1CCCCC1)C(=O)N[C@H]1C=CCCC1 ZINC000466915670 533776985 /nfs/dbraw/zinc/77/69/85/533776985.db2.gz MPYIGBLTZBWZHL-HIFRSBDPSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](CC1CCCCC1)C(=O)N[C@@H]1C=CCCC1 ZINC000466915671 533778320 /nfs/dbraw/zinc/77/83/20/533778320.db2.gz MPYIGBLTZBWZHL-UKRRQHHQSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H](CC1CCCCC1)C(=O)N[C@H]1C=CCCC1 ZINC000466915672 225004895 /nfs/dbraw/zinc/00/48/95/225004895.db2.gz MPYIGBLTZBWZHL-ZFWWWQNUSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCCCC1(C)C ZINC000466915909 529410873 /nfs/dbraw/zinc/41/08/73/529410873.db2.gz OILYWOUPDRVTDZ-LALPHHSUSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N[C@H]1CCCCC1(C)C ZINC000466915910 529412601 /nfs/dbraw/zinc/41/26/01/529412601.db2.gz OILYWOUPDRVTDZ-SLEUVZQESA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCCCC1(C)C ZINC000466915911 529410551 /nfs/dbraw/zinc/41/05/51/529410551.db2.gz OILYWOUPDRVTDZ-TYNCELHUSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCCCC1(C)C ZINC000466915912 529412544 /nfs/dbraw/zinc/41/25/44/529412544.db2.gz OILYWOUPDRVTDZ-YWPYICTPSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CCCCC1(C)C ZINC000466916613 528109045 /nfs/dbraw/zinc/10/90/45/528109045.db2.gz JVPFQZICHFFCDC-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC(=O)N[C@H]1CCCCC1(C)C ZINC000466916614 528110950 /nfs/dbraw/zinc/11/09/50/528110950.db2.gz JVPFQZICHFFCDC-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CC(C)[C@H](C)CC(=O)N[C@@H]1CCCCC1(C)C ZINC000466920044 528940445 /nfs/dbraw/zinc/94/04/45/528940445.db2.gz MXHXBSQPLOWEEV-CHWSQXEVSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)[C@H](C)CC(=O)N[C@H]1CCCCC1(C)C ZINC000466920045 528940166 /nfs/dbraw/zinc/94/01/66/528940166.db2.gz MXHXBSQPLOWEEV-OLZOCXBDSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)[C@@H](C)CC(=O)N[C@@H]1CCCCC1(C)C ZINC000466920046 528387052 /nfs/dbraw/zinc/38/70/52/528387052.db2.gz MXHXBSQPLOWEEV-QWHCGFSZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)[C@@H](C)CC(=O)N[C@H]1CCCCC1(C)C ZINC000466920047 528388791 /nfs/dbraw/zinc/38/87/91/528388791.db2.gz MXHXBSQPLOWEEV-STQMWFEESA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](c1cccnc1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466929264 225003672 /nfs/dbraw/zinc/00/36/72/225003672.db2.gz POZYLKPDDOMTSU-CYBMUJFWSA-N 0 0 246.398 3.901 20 0 BHADRN C[C@@H](c1cccnc1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466929265 225003790 /nfs/dbraw/zinc/00/37/90/225003790.db2.gz POZYLKPDDOMTSU-ZDUSSCGKSA-N 0 0 246.398 3.901 20 0 BHADRN C[C@@H](c1ccccn1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466934410 225003746 /nfs/dbraw/zinc/00/37/46/225003746.db2.gz OUNDUDPQTIPBSU-ZDUSSCGKSA-N 0 0 246.398 3.901 20 0 BHADRN CC[C@@H](SCC1(C)COC1)c1ccccc1 ZINC000466981709 529253015 /nfs/dbraw/zinc/25/30/15/529253015.db2.gz WEEMABZDFLSMBJ-CYBMUJFWSA-N 0 0 236.380 3.907 20 0 BHADRN CC[C@H](SCC1(C)COC1)c1ccccc1 ZINC000466981710 529175779 /nfs/dbraw/zinc/17/57/79/529175779.db2.gz WEEMABZDFLSMBJ-ZDUSSCGKSA-N 0 0 236.380 3.907 20 0 BHADRN Cc1cc(Cl)ccc1/C=C\c1ccncn1 ZINC000466986766 533774667 /nfs/dbraw/zinc/77/46/67/533774667.db2.gz GYBKLRLBQYDLJT-HYXAFXHYSA-N 0 0 230.698 3.609 20 0 BHADRN C[C@H](Sc1ccc(F)cc1)C(F)(F)F ZINC000466987664 538572714 /nfs/dbraw/zinc/57/27/14/538572714.db2.gz WQCMRPHMDPQUDX-LURJTMIESA-N 0 0 224.222 3.869 20 0 BHADRN C[C@@H](Sc1ccc(F)cc1)C(F)(F)F ZINC000466987665 538571879 /nfs/dbraw/zinc/57/18/79/538571879.db2.gz WQCMRPHMDPQUDX-ZCFIWIBFSA-N 0 0 224.222 3.869 20 0 BHADRN C[C@H](Sc1ccccc1F)C(F)(F)F ZINC000466990136 538572648 /nfs/dbraw/zinc/57/26/48/538572648.db2.gz VFOUQDOEJQGTKN-LURJTMIESA-N 0 0 224.222 3.869 20 0 BHADRN C[C@@H](Sc1ccccc1F)C(F)(F)F ZINC000466990138 538572219 /nfs/dbraw/zinc/57/22/19/538572219.db2.gz VFOUQDOEJQGTKN-ZCFIWIBFSA-N 0 0 224.222 3.869 20 0 BHADRN c1ccc(COc2ccc(C3CCC3)cc2)nc1 ZINC000466990262 225005444 /nfs/dbraw/zinc/00/54/44/225005444.db2.gz CRMHIKALOXMSBX-UHFFFAOYSA-N 0 0 239.318 3.928 20 0 BHADRN CCN(C(=O)CC(C)(C)CC)[C@H](C)C(C)C ZINC000466992016 528935185 /nfs/dbraw/zinc/93/51/85/528935185.db2.gz MGRKROTVLRVYBN-GFCCVEGCSA-N 0 0 227.392 3.706 20 0 BHADRN CCN(C(=O)CC(C)(C)CC)[C@@H](C)C(C)C ZINC000466992017 528935153 /nfs/dbraw/zinc/93/51/53/528935153.db2.gz MGRKROTVLRVYBN-LBPRGKRZSA-N 0 0 227.392 3.706 20 0 BHADRN Cc1ccc(C)c(OCc2ccccn2)c1C ZINC000466992156 533700649 /nfs/dbraw/zinc/70/06/49/533700649.db2.gz AXTUOOHPTDUFOL-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN CCC(CC)NC(=O)c1ccccc1C(C)(C)C ZINC000467006876 528802116 /nfs/dbraw/zinc/80/21/16/528802116.db2.gz PGTAKSYANSTJMM-UHFFFAOYSA-N 0 0 247.382 3.903 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NC(CC)CC ZINC000467008240 527880760 /nfs/dbraw/zinc/88/07/60/527880760.db2.gz BMRYBZFBBAPPTM-CYBMUJFWSA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@](C)(CC)C(=O)NC(CC)CC ZINC000467008242 528449219 /nfs/dbraw/zinc/44/92/19/528449219.db2.gz BMRYBZFBBAPPTM-ZDUSSCGKSA-N 0 0 213.365 3.508 20 0 BHADRN OC1(COc2ccc(C3CCC3)cc2)CCCC1 ZINC000467008755 534340965 /nfs/dbraw/zinc/34/09/65/534340965.db2.gz FGCGQHJLZBLRSZ-UHFFFAOYSA-N 0 0 246.350 3.638 20 0 BHADRN CCC(O)(CC)COc1ccc(C2CCC2)cc1 ZINC000467009418 528978146 /nfs/dbraw/zinc/97/81/46/528978146.db2.gz OOABQZPGGKBVBZ-UHFFFAOYSA-N 0 0 248.366 3.884 20 0 BHADRN CCC(CC)NC(=O)C1(CC(C)C)CCCC1 ZINC000467011601 528790969 /nfs/dbraw/zinc/79/09/69/528790969.db2.gz AAIXVEOXVLLUBQ-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)C[C@H]1CCN(c2nccc3occc32)C1 ZINC000467017235 528597102 /nfs/dbraw/zinc/59/71/02/528597102.db2.gz PXPUWZBASCUSAS-GFCCVEGCSA-N 0 0 244.338 3.700 20 0 BHADRN CC(C)C[C@@H]1CCN(c2nccc3occc32)C1 ZINC000467017236 528388455 /nfs/dbraw/zinc/38/84/55/528388455.db2.gz PXPUWZBASCUSAS-LBPRGKRZSA-N 0 0 244.338 3.700 20 0 BHADRN CC(C)C[C@H]1CCN(c2ccc(Cl)cn2)C1 ZINC000467017850 528597297 /nfs/dbraw/zinc/59/72/97/528597297.db2.gz ZOWSPVIWUJZFGV-LLVKDONJSA-N 0 0 238.762 3.607 20 0 BHADRN CC(C)C[C@@H]1CCN(c2ccc(Cl)cn2)C1 ZINC000467017851 528388012 /nfs/dbraw/zinc/38/80/12/528388012.db2.gz ZOWSPVIWUJZFGV-NSHDSACASA-N 0 0 238.762 3.607 20 0 BHADRN CCOCc1ccc(NC(=O)C(CC)CC)cc1 ZINC000467069304 529045477 /nfs/dbraw/zinc/04/54/77/529045477.db2.gz JJLGEFQZXZVLPJ-UHFFFAOYSA-N 0 0 249.354 3.598 20 0 BHADRN CC(C)OC(=O)CC1CC(c2ccccc2)C1 ZINC000467110391 527770905 /nfs/dbraw/zinc/77/09/05/527770905.db2.gz MHGUFLDXFKIIKX-UHFFFAOYSA-N 0 0 232.323 3.522 20 0 BHADRN CC(C)OC(=O)c1cccc(C2CCC2)c1 ZINC000467115664 527869162 /nfs/dbraw/zinc/86/91/62/527869162.db2.gz CRBSHPFERAWPNP-UHFFFAOYSA-N 0 0 218.296 3.519 20 0 BHADRN CC[C@@H](C)N(C(=O)C1=C(C)CCC1)[C@@H](C)CC ZINC000467206641 529337865 /nfs/dbraw/zinc/33/78/65/529337865.db2.gz KOKXOVWREXGGEU-BETUJISGSA-N 0 0 237.387 3.912 20 0 BHADRN CC[C@@H](C)N(C(=O)C1=C(C)CCC1)[C@H](C)CC ZINC000467206642 529337797 /nfs/dbraw/zinc/33/77/97/529337797.db2.gz KOKXOVWREXGGEU-CHWSQXEVSA-N 0 0 237.387 3.912 20 0 BHADRN CC[C@H](C)N(C(=O)C1=C(C)CCC1)[C@@H](C)CC ZINC000467206643 529684251 /nfs/dbraw/zinc/68/42/51/529684251.db2.gz KOKXOVWREXGGEU-STQMWFEESA-N 0 0 237.387 3.912 20 0 BHADRN CC[C@@H](C)N(C(=O)[C@@H]1CC[C@H](C)C1)[C@@H](C)CC ZINC000467210723 529338317 /nfs/dbraw/zinc/33/83/17/529338317.db2.gz HAWDBTDTKWWURE-IGQOVBAYSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](C)N(C(=O)[C@@H]1CC[C@H](C)C1)[C@@H](C)CC ZINC000467210724 529684482 /nfs/dbraw/zinc/68/44/82/529684482.db2.gz HAWDBTDTKWWURE-XDQVBPFNSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](C)N(C(=O)[C@@H]1CC[C@@H](C)C1)[C@@H](C)CC ZINC000467210725 529338127 /nfs/dbraw/zinc/33/81/27/529338127.db2.gz HAWDBTDTKWWURE-YIYPIFLZSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](C)N(C(=O)[C@@H]1CC[C@@H](C)C1)[C@@H](C)CC ZINC000467210726 529684505 /nfs/dbraw/zinc/68/45/05/529684505.db2.gz HAWDBTDTKWWURE-ZOBORPQBSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](C)N(C(=O)[C@@H]1C[C@]1(C)CC)[C@@H](C)CC ZINC000467212139 529684543 /nfs/dbraw/zinc/68/45/43/529684543.db2.gz TZWBCPMCRUBDSS-ABHRYQDASA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](C)N(C(=O)[C@@H]1C[C@@]1(C)CC)[C@@H](C)CC ZINC000467212140 529684456 /nfs/dbraw/zinc/68/44/56/529684456.db2.gz TZWBCPMCRUBDSS-PWNZVWSESA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](C)N(C(=O)[C@@H]1C[C@@]1(C)CC)[C@@H](C)CC ZINC000467212141 529338038 /nfs/dbraw/zinc/33/80/38/529338038.db2.gz TZWBCPMCRUBDSS-SFDCQRBFSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](C)N(C(=O)[C@@H]1C[C@]1(C)CC)[C@@H](C)CC ZINC000467212142 529338033 /nfs/dbraw/zinc/33/80/33/529338033.db2.gz TZWBCPMCRUBDSS-XFMPKHEZSA-N 0 0 239.403 3.848 20 0 BHADRN CCC[C@H](C)C(=O)N([C@@H](C)CC)[C@@H](C)CC ZINC000467212389 527992949 /nfs/dbraw/zinc/99/29/49/527992949.db2.gz WSFWRVHWBJDIST-AVGNSLFASA-N 0 0 227.392 3.848 20 0 BHADRN CCC[C@@H](C)C(=O)N([C@H](C)CC)[C@H](C)CC ZINC000467212390 528851805 /nfs/dbraw/zinc/85/18/05/528851805.db2.gz WSFWRVHWBJDIST-JHJVBQTASA-N 0 0 227.392 3.848 20 0 BHADRN CCC[C@H](C)C(=O)N([C@H](C)CC)[C@@H](C)CC ZINC000467212391 527992374 /nfs/dbraw/zinc/99/23/74/527992374.db2.gz WSFWRVHWBJDIST-RWMBFGLXSA-N 0 0 227.392 3.848 20 0 BHADRN CCC[C@H](C)C(=O)N([C@H](C)CC)[C@H](C)CC ZINC000467212392 527992063 /nfs/dbraw/zinc/99/20/63/527992063.db2.gz WSFWRVHWBJDIST-YNEHKIRRSA-N 0 0 227.392 3.848 20 0 BHADRN CCc1cccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000467240380 529542478 /nfs/dbraw/zinc/54/24/78/529542478.db2.gz CEJAKASYVVFISD-FICVDOATSA-N 0 0 243.350 3.624 20 0 BHADRN CCc1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000467241142 529686443 /nfs/dbraw/zinc/68/64/43/529686443.db2.gz GHSKPVNHWRDGCL-FICVDOATSA-N 0 0 243.350 3.624 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000467243278 534082089 /nfs/dbraw/zinc/08/20/89/534082089.db2.gz RTRRZAFTUZGUIV-FICVDOATSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1F ZINC000467243315 225009173 /nfs/dbraw/zinc/00/91/73/225009173.db2.gz AEEXBBGGIWLWQA-IMRBUKKESA-N 0 0 247.313 3.509 20 0 BHADRN O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000467245271 534347188 /nfs/dbraw/zinc/34/71/88/534347188.db2.gz ZLCICHYECNOTGG-ITGUQSILSA-N 0 0 249.741 3.715 20 0 BHADRN CCC(C)(C)Cc1nc(-c2ccsc2)no1 ZINC000467252606 528535229 /nfs/dbraw/zinc/53/52/29/528535229.db2.gz BKHTVOMIYGAFPG-UHFFFAOYSA-N 0 0 236.340 3.777 20 0 BHADRN CC/C=C\CCNc1ccc2c(c1)C(=O)CCC2 ZINC000467253522 528791293 /nfs/dbraw/zinc/79/12/93/528791293.db2.gz IDHMNQOSYODFRL-ARJAWSKDSA-N 0 0 243.350 3.974 20 0 BHADRN CC/C=C/CCNc1ccc2c(c1)C(=O)CCC2 ZINC000467253523 528774237 /nfs/dbraw/zinc/77/42/37/528774237.db2.gz IDHMNQOSYODFRL-ONEGZZNKSA-N 0 0 243.350 3.974 20 0 BHADRN CC/C=C/CCNc1ccc(C(C)=O)c(C)c1 ZINC000467254154 528773146 /nfs/dbraw/zinc/77/31/46/528773146.db2.gz OGWXZDJPWRVJRM-AATRIKPKSA-N 0 0 231.339 3.966 20 0 BHADRN CC/C=C\CCNc1ccc(C(C)=O)c(C)c1 ZINC000467254155 528791273 /nfs/dbraw/zinc/79/12/73/528791273.db2.gz OGWXZDJPWRVJRM-WAYWQWQTSA-N 0 0 231.339 3.966 20 0 BHADRN CC/C=C\CCNc1cc(F)cc(F)c1OC ZINC000467256315 528790183 /nfs/dbraw/zinc/79/01/83/528790183.db2.gz QYTNJKUXTTZNMT-PLNGDYQASA-N 0 0 241.281 3.742 20 0 BHADRN CC/C=C/CCNc1cc(F)cc(F)c1OC ZINC000467256316 528773250 /nfs/dbraw/zinc/77/32/50/528773250.db2.gz QYTNJKUXTTZNMT-SNAWJCMRSA-N 0 0 241.281 3.742 20 0 BHADRN CC/C=C\CCNc1cccc2c1OCCC2 ZINC000467256327 528791614 /nfs/dbraw/zinc/79/16/14/528791614.db2.gz RCWJMWOHWJYOJN-ARJAWSKDSA-N 0 0 231.339 3.780 20 0 BHADRN CC/C=C/CCNc1cccc2c1OCCC2 ZINC000467256328 528773110 /nfs/dbraw/zinc/77/31/10/528773110.db2.gz RCWJMWOHWJYOJN-ONEGZZNKSA-N 0 0 231.339 3.780 20 0 BHADRN CC/C=C\CCNc1cc(OC)ccc1OCC ZINC000467256332 528790735 /nfs/dbraw/zinc/79/07/35/528790735.db2.gz RDJNDRWWCRPDDO-SREVYHEPSA-N 0 0 249.354 3.862 20 0 BHADRN CC/C=C/CCNc1cc(OC)ccc1OCC ZINC000467256333 528774322 /nfs/dbraw/zinc/77/43/22/528774322.db2.gz RDJNDRWWCRPDDO-VOTSOKGWSA-N 0 0 249.354 3.862 20 0 BHADRN CC(C)OCCCN1CCC=Cc2ccccc21 ZINC000467266842 387946149 /nfs/dbraw/zinc/94/61/49/387946149.db2.gz AEAGLAMDZCVJTR-UHFFFAOYSA-N 0 0 245.366 3.725 20 0 BHADRN FC(F)(F)CCN1CCC=Cc2ccccc21 ZINC000467286401 534382187 /nfs/dbraw/zinc/38/21/87/534382187.db2.gz USQJTHJISLQEGU-UHFFFAOYSA-N 0 0 241.256 3.862 20 0 BHADRN CC(C)(C)OCCN1CCC=Cc2ccccc21 ZINC000467286404 526550838 /nfs/dbraw/zinc/55/08/38/526550838.db2.gz UULPCQHKXFIUMD-UHFFFAOYSA-N 0 0 245.366 3.725 20 0 BHADRN CC1CCC(C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000467293193 528172525 /nfs/dbraw/zinc/17/25/25/528172525.db2.gz YJOGZXQXLDGYMJ-AWZGSAHDSA-N 0 0 249.398 3.508 20 0 BHADRN COCCCCCN1CCC=Cc2ccccc21 ZINC000467294364 225008640 /nfs/dbraw/zinc/00/86/40/225008640.db2.gz XOCNYQXVOJHWKQ-UHFFFAOYSA-N 0 0 245.366 3.727 20 0 BHADRN CC/C=C\CCSCCOC(C)(C)C ZINC000467297589 528791496 /nfs/dbraw/zinc/79/14/96/528791496.db2.gz HWIQBHZRIITIAB-SREVYHEPSA-N 0 0 216.390 3.891 20 0 BHADRN CC/C=C/CCSCCOC(C)(C)C ZINC000467297605 528773533 /nfs/dbraw/zinc/77/35/33/528773533.db2.gz HWIQBHZRIITIAB-VOTSOKGWSA-N 0 0 216.390 3.891 20 0 BHADRN O=C(CCCC1CCCCC1)N1CCC12CCC2 ZINC000467300768 225009080 /nfs/dbraw/zinc/00/90/80/225009080.db2.gz VJLORWWCTRWKPB-UHFFFAOYSA-N 0 0 249.398 3.892 20 0 BHADRN CC/C=C\CCSCc1cn2ccccc2n1 ZINC000467302550 528791713 /nfs/dbraw/zinc/79/17/13/528791713.db2.gz IBTNFQDAGXHLKS-ARJAWSKDSA-N 0 0 246.379 3.924 20 0 BHADRN CC/C=C/CCSCc1cn2ccccc2n1 ZINC000467302551 528775409 /nfs/dbraw/zinc/77/54/09/528775409.db2.gz IBTNFQDAGXHLKS-ONEGZZNKSA-N 0 0 246.379 3.924 20 0 BHADRN CCSCCN1CCC=Cc2ccccc21 ZINC000467303112 529179517 /nfs/dbraw/zinc/17/95/17/529179517.db2.gz STNLJJQJJMIWFT-UHFFFAOYSA-N 0 0 233.380 3.663 20 0 BHADRN CC/C=C\CCSCCCCCOC ZINC000467303498 528791190 /nfs/dbraw/zinc/79/11/90/528791190.db2.gz AEBQXZIGFYRZGR-PLNGDYQASA-N 0 0 216.390 3.893 20 0 BHADRN CC/C=C/CCSCCCCCOC ZINC000467303499 528774292 /nfs/dbraw/zinc/77/42/92/528774292.db2.gz AEBQXZIGFYRZGR-SNAWJCMRSA-N 0 0 216.390 3.893 20 0 BHADRN C[C@H](CC(=O)N1CCC12CCC2)C1CCCCC1 ZINC000467305582 533624694 /nfs/dbraw/zinc/62/46/94/533624694.db2.gz DPAPHQLPVYEWSN-CYBMUJFWSA-N 0 0 249.398 3.748 20 0 BHADRN C[C@@H](CC(=O)N1CCC12CCC2)C1CCCCC1 ZINC000467305583 225009972 /nfs/dbraw/zinc/00/99/72/225009972.db2.gz DPAPHQLPVYEWSN-ZDUSSCGKSA-N 0 0 249.398 3.748 20 0 BHADRN C/C=C\CSCc1ccc(F)cc1F ZINC000467311793 526315672 /nfs/dbraw/zinc/31/56/72/526315672.db2.gz WFKMMVMHLDXGCU-IHWYPQMZSA-N 0 0 214.280 3.774 20 0 BHADRN C/C=C/CSCc1ccc(F)cc1F ZINC000467311794 527623531 /nfs/dbraw/zinc/62/35/31/527623531.db2.gz WFKMMVMHLDXGCU-NSCUHMNNSA-N 0 0 214.280 3.774 20 0 BHADRN CC/C=C\CCSCc1ncccc1C ZINC000467316606 528791255 /nfs/dbraw/zinc/79/12/55/528791255.db2.gz ZILJGBJLTGDKNE-PLNGDYQASA-N 0 0 221.369 3.980 20 0 BHADRN CC/C=C/CCSCc1ncccc1C ZINC000467316613 528774899 /nfs/dbraw/zinc/77/48/99/528774899.db2.gz ZILJGBJLTGDKNE-SNAWJCMRSA-N 0 0 221.369 3.980 20 0 BHADRN CC/C=C/CCS[C@@H](C)C(=O)OC(C)(C)C ZINC000467324266 528775516 /nfs/dbraw/zinc/77/55/16/528775516.db2.gz XCVNXQIVOXYVCM-AEZGRPFRSA-N 0 0 244.400 3.806 20 0 BHADRN CC/C=C\CCS[C@H](C)C(=O)OC(C)(C)C ZINC000467324267 528792626 /nfs/dbraw/zinc/79/26/26/528792626.db2.gz XCVNXQIVOXYVCM-SKVAFPRGSA-N 0 0 244.400 3.806 20 0 BHADRN CC/C=C\CCS[C@@H](C)C(=O)OC(C)(C)C ZINC000467324268 528791372 /nfs/dbraw/zinc/79/13/72/528791372.db2.gz XCVNXQIVOXYVCM-TVRMLOFPSA-N 0 0 244.400 3.806 20 0 BHADRN CC/C=C/CCS[C@H](C)C(=O)OC(C)(C)C ZINC000467324269 528774828 /nfs/dbraw/zinc/77/48/28/528774828.db2.gz XCVNXQIVOXYVCM-WSKFYRRCSA-N 0 0 244.400 3.806 20 0 BHADRN CC[C@@]1(C)CCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000467415142 529526240 /nfs/dbraw/zinc/52/62/40/529526240.db2.gz AJAKJTKUCUYWFY-HNNXBMFYSA-N 0 0 246.354 3.649 20 0 BHADRN CC[C@]1(C)CCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000467415143 529399298 /nfs/dbraw/zinc/39/92/98/529399298.db2.gz AJAKJTKUCUYWFY-OAHLLOKOSA-N 0 0 246.354 3.649 20 0 BHADRN CCCC1(CNC(=O)Nc2ccccc2)CCC1 ZINC000467421082 528056582 /nfs/dbraw/zinc/05/65/82/528056582.db2.gz XAKKVTGQJURQKV-UHFFFAOYSA-N 0 0 246.354 3.779 20 0 BHADRN CC[C@@]1(C)CCN(C(=O)Nc2cccc(C)c2)C1 ZINC000467422142 529526271 /nfs/dbraw/zinc/52/62/71/529526271.db2.gz YLHRMHOHXXNBHC-HNNXBMFYSA-N 0 0 246.354 3.649 20 0 BHADRN CC[C@]1(C)CCN(C(=O)Nc2cccc(C)c2)C1 ZINC000467422143 529399322 /nfs/dbraw/zinc/39/93/22/529399322.db2.gz YLHRMHOHXXNBHC-OAHLLOKOSA-N 0 0 246.354 3.649 20 0 BHADRN C[C@H]1C[C@@H](Nc2ccc(F)c(C3CC3)c2)CCO1 ZINC000467430822 225011836 /nfs/dbraw/zinc/01/18/36/225011836.db2.gz SSTAWIYBWZTQDM-GWCFXTLKSA-N 0 0 249.329 3.683 20 0 BHADRN C[C@H]1C[C@H](Nc2ccc(F)c(C3CC3)c2)CCO1 ZINC000467430823 225012111 /nfs/dbraw/zinc/01/21/11/225012111.db2.gz SSTAWIYBWZTQDM-GXFFZTMASA-N 0 0 249.329 3.683 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc(F)c(C3CC3)c2)CCO1 ZINC000467430824 533661253 /nfs/dbraw/zinc/66/12/53/533661253.db2.gz SSTAWIYBWZTQDM-MFKMUULPSA-N 0 0 249.329 3.683 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc(F)c(C3CC3)c2)CCO1 ZINC000467430825 533969161 /nfs/dbraw/zinc/96/91/61/533969161.db2.gz SSTAWIYBWZTQDM-ZWNOBZJWSA-N 0 0 249.329 3.683 20 0 BHADRN C[C@@H]1COCC[C@@H]1Nc1ccc(F)c(C2CC2)c1 ZINC000467433192 225012085 /nfs/dbraw/zinc/01/20/85/225012085.db2.gz HKBLIMRFDLLLLX-BMIGLBTASA-N 0 0 249.329 3.540 20 0 BHADRN C[C@H]1COCC[C@@H]1Nc1ccc(F)c(C2CC2)c1 ZINC000467433193 225011674 /nfs/dbraw/zinc/01/16/74/225011674.db2.gz HKBLIMRFDLLLLX-BONVTDFDSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@@H]1COCC[C@H]1Nc1ccc(F)c(C2CC2)c1 ZINC000467433194 225011144 /nfs/dbraw/zinc/01/11/44/225011144.db2.gz HKBLIMRFDLLLLX-MEBBXXQBSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@H]1COCC[C@H]1Nc1ccc(F)c(C2CC2)c1 ZINC000467433195 534050668 /nfs/dbraw/zinc/05/06/68/534050668.db2.gz HKBLIMRFDLLLLX-ZUZCIYMTSA-N 0 0 249.329 3.540 20 0 BHADRN Fc1ccc(N[C@@H]2CCCOCC2)cc1C1CC1 ZINC000467434529 534481979 /nfs/dbraw/zinc/48/19/79/534481979.db2.gz VNXBZMMUYJFAEM-GFCCVEGCSA-N 0 0 249.329 3.684 20 0 BHADRN Fc1ccc(N[C@H]2CCCOCC2)cc1C1CC1 ZINC000467434531 534483305 /nfs/dbraw/zinc/48/33/05/534483305.db2.gz VNXBZMMUYJFAEM-LBPRGKRZSA-N 0 0 249.329 3.684 20 0 BHADRN CCOC[C@H](C)Nc1ccc(F)c(C2CC2)c1 ZINC000467434937 528981484 /nfs/dbraw/zinc/98/14/84/528981484.db2.gz QGWNTFYPOSFPKO-JTQLQIEISA-N 0 0 237.318 3.540 20 0 BHADRN CCOC[C@@H](C)Nc1ccc(F)c(C2CC2)c1 ZINC000467434939 528886646 /nfs/dbraw/zinc/88/66/46/528886646.db2.gz QGWNTFYPOSFPKO-SNVBAGLBSA-N 0 0 237.318 3.540 20 0 BHADRN CCOC1CC(Nc2ccc(F)c(C3CC3)c2)C1 ZINC000467436328 528513027 /nfs/dbraw/zinc/51/30/27/528513027.db2.gz XDUOKFSHDSHJAJ-UHFFFAOYSA-N 0 0 249.329 3.683 20 0 BHADRN CO[C@H](C)[C@@H](C)Nc1ccc(F)c(C2CC2)c1 ZINC000467438003 533106908 /nfs/dbraw/zinc/10/69/08/533106908.db2.gz LDHKRYRJHAOVMG-NXEZZACHSA-N 0 0 237.318 3.538 20 0 BHADRN CO[C@@H](C)[C@H](C)Nc1ccc(F)c(C2CC2)c1 ZINC000467438213 225012964 /nfs/dbraw/zinc/01/29/64/225012964.db2.gz LDHKRYRJHAOVMG-UWVGGRQHSA-N 0 0 237.318 3.538 20 0 BHADRN CO[C@H](C)[C@H](C)Nc1ccc(F)c(C2CC2)c1 ZINC000467438214 533109839 /nfs/dbraw/zinc/10/98/39/533109839.db2.gz LDHKRYRJHAOVMG-VHSXEESVSA-N 0 0 237.318 3.538 20 0 BHADRN CO[C@@H](C)[C@@H](C)Nc1ccc(F)c(C2CC2)c1 ZINC000467438215 225012774 /nfs/dbraw/zinc/01/27/74/225012774.db2.gz LDHKRYRJHAOVMG-ZJUUUORDSA-N 0 0 237.318 3.538 20 0 BHADRN C[C@H](Nc1ccc(F)c(C2CC2)c1)[C@@H]1CCOC1 ZINC000467439310 534025517 /nfs/dbraw/zinc/02/55/17/534025517.db2.gz UQSXULJCMRWLGN-CMPLNLGQSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@H](Nc1ccc(F)c(C2CC2)c1)[C@H]1CCOC1 ZINC000467439311 534025109 /nfs/dbraw/zinc/02/51/09/534025109.db2.gz UQSXULJCMRWLGN-JQWIXIFHSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@@H](Nc1ccc(F)c(C2CC2)c1)[C@H]1CCOC1 ZINC000467439312 533553558 /nfs/dbraw/zinc/55/35/58/533553558.db2.gz UQSXULJCMRWLGN-PWSUYJOCSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@@H](Nc1ccc(F)c(C2CC2)c1)[C@@H]1CCOC1 ZINC000467439313 533553593 /nfs/dbraw/zinc/55/35/93/533553593.db2.gz UQSXULJCMRWLGN-ZYHUDNBSSA-N 0 0 249.329 3.540 20 0 BHADRN CC[C@H](COC)Nc1ccc(F)c(C2CC2)c1 ZINC000467440671 529399299 /nfs/dbraw/zinc/39/92/99/529399299.db2.gz WGYVRBMSCQTHIK-LLVKDONJSA-N 0 0 237.318 3.540 20 0 BHADRN CC[C@@H](COC)Nc1ccc(F)c(C2CC2)c1 ZINC000467440672 529520845 /nfs/dbraw/zinc/52/08/45/529520845.db2.gz WGYVRBMSCQTHIK-NSHDSACASA-N 0 0 237.318 3.540 20 0 BHADRN COC[C@H](Nc1ccc(F)c(C2CC2)c1)C1CC1 ZINC000467441143 225012746 /nfs/dbraw/zinc/01/27/46/225012746.db2.gz BVRRBDWHLKGKQA-HNNXBMFYSA-N 0 0 249.329 3.540 20 0 BHADRN COC[C@@H](Nc1ccc(F)c(C2CC2)c1)C1CC1 ZINC000467441144 225013500 /nfs/dbraw/zinc/01/35/00/225013500.db2.gz BVRRBDWHLKGKQA-OAHLLOKOSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@@H](Nc1ccc(F)c(C2CC2)c1)[C@@H]1CCCO1 ZINC000467441593 533553174 /nfs/dbraw/zinc/55/31/74/533553174.db2.gz HSPYBHSTGHFWMU-BMIGLBTASA-N 0 0 249.329 3.683 20 0 BHADRN C[C@H](Nc1ccc(F)c(C2CC2)c1)[C@@H]1CCCO1 ZINC000467441594 534025066 /nfs/dbraw/zinc/02/50/66/534025066.db2.gz HSPYBHSTGHFWMU-BONVTDFDSA-N 0 0 249.329 3.683 20 0 BHADRN C[C@@H](Nc1ccc(F)c(C2CC2)c1)[C@H]1CCCO1 ZINC000467441595 533553586 /nfs/dbraw/zinc/55/35/86/533553586.db2.gz HSPYBHSTGHFWMU-MEBBXXQBSA-N 0 0 249.329 3.683 20 0 BHADRN C[C@H](Nc1ccc(F)c(C2CC2)c1)[C@H]1CCCO1 ZINC000467441596 534024842 /nfs/dbraw/zinc/02/48/42/534024842.db2.gz HSPYBHSTGHFWMU-ZUZCIYMTSA-N 0 0 249.329 3.683 20 0 BHADRN CC[C@]1(C)CCN(c2ncc(Cl)cc2F)C1 ZINC000467442902 529401015 /nfs/dbraw/zinc/40/10/15/529401015.db2.gz ISLUDDYGPUXMMI-GFCCVEGCSA-N 0 0 242.725 3.501 20 0 BHADRN CC[C@@]1(C)CCN(c2ncc(Cl)cc2F)C1 ZINC000467442903 529527697 /nfs/dbraw/zinc/52/76/97/529527697.db2.gz ISLUDDYGPUXMMI-LBPRGKRZSA-N 0 0 242.725 3.501 20 0 BHADRN CC[C@@]1(C)CCN(c2ccc3ccccc3n2)C1 ZINC000467446592 529527990 /nfs/dbraw/zinc/52/79/90/529527990.db2.gz WQQDQXYJZYYHQV-INIZCTEOSA-N 0 0 240.350 3.861 20 0 BHADRN CC[C@]1(C)CCN(c2ccc3ccccc3n2)C1 ZINC000467446593 529401181 /nfs/dbraw/zinc/40/11/81/529401181.db2.gz WQQDQXYJZYYHQV-MRXNPFEDSA-N 0 0 240.350 3.861 20 0 BHADRN CC[C@@]1(C)CCN(c2ccnc3ccsc32)C1 ZINC000467450226 529527807 /nfs/dbraw/zinc/52/78/07/529527807.db2.gz NTERULJRKXOENW-AWEZNQCLSA-N 0 0 246.379 3.923 20 0 BHADRN CC[C@]1(C)CCN(c2ccnc3ccsc32)C1 ZINC000467450227 529400889 /nfs/dbraw/zinc/40/08/89/529400889.db2.gz NTERULJRKXOENW-CQSZACIVSA-N 0 0 246.379 3.923 20 0 BHADRN CC[C@@]1(C)CCN(c2nc3cc(C)ccc3o2)C1 ZINC000467451089 529527789 /nfs/dbraw/zinc/52/77/89/529527789.db2.gz YPADIQSPZSGNKR-HNNXBMFYSA-N 0 0 244.338 3.763 20 0 BHADRN CC[C@]1(C)CCN(c2nc3cc(C)ccc3o2)C1 ZINC000467451090 529401113 /nfs/dbraw/zinc/40/11/13/529401113.db2.gz YPADIQSPZSGNKR-OAHLLOKOSA-N 0 0 244.338 3.763 20 0 BHADRN CC[C@@]1(C)CCN(c2nc3cc(F)ccc3o2)C1 ZINC000467456442 219888365 /nfs/dbraw/zinc/88/83/65/219888365.db2.gz UIIVYOBKCCBZMG-AWEZNQCLSA-N 0 0 248.301 3.593 20 0 BHADRN CC[C@]1(C)CCN(c2nc3cc(F)ccc3o2)C1 ZINC000467456447 386557845 /nfs/dbraw/zinc/55/78/45/386557845.db2.gz UIIVYOBKCCBZMG-CQSZACIVSA-N 0 0 248.301 3.593 20 0 BHADRN O=C(NCCC1CCCCC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000467519498 225015190 /nfs/dbraw/zinc/01/51/90/225015190.db2.gz BHUFPRDZWXHMHJ-FICVDOATSA-N 0 0 249.398 3.509 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000467528619 529282430 /nfs/dbraw/zinc/28/24/30/529282430.db2.gz GYKJNHWRDGUGDY-MRLBHPIUSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000467528620 529290026 /nfs/dbraw/zinc/29/00/26/529290026.db2.gz GYKJNHWRDGUGDY-QMIVOQANSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)Cn1ncc(NC2CC(C)C2)c1C(C)C ZINC000467744810 528752413 /nfs/dbraw/zinc/75/24/13/528752413.db2.gz CAYJFLUMHASHEV-UHFFFAOYSA-N 0 0 249.402 3.873 20 0 BHADRN CC[C@H](C)n1ncc(NC2CC(C)C2)c1C1CC1 ZINC000467749042 529293887 /nfs/dbraw/zinc/29/38/87/529293887.db2.gz LFXTUVNOQSYPAN-AKJDGMEZSA-N 0 0 247.386 3.942 20 0 BHADRN CC[C@@H](C)n1ncc(NC2CC(C)C2)c1C1CC1 ZINC000467749043 529443435 /nfs/dbraw/zinc/44/34/35/529443435.db2.gz LFXTUVNOQSYPAN-QWKFWESOSA-N 0 0 247.386 3.942 20 0 BHADRN N#CN(CCCc1ccccc1)c1ccccc1 ZINC000467755279 225016161 /nfs/dbraw/zinc/01/61/61/225016161.db2.gz BKTMOJPKGSPIBZ-UHFFFAOYSA-N 0 0 236.318 3.607 20 0 BHADRN CCc1ccc(CN(C#N)c2ccccc2)cc1 ZINC000467770093 529631021 /nfs/dbraw/zinc/63/10/21/529631021.db2.gz PIMAVCGBUZCYOS-UHFFFAOYSA-N 0 0 236.318 3.737 20 0 BHADRN N#CN(C/C=C/c1ccccc1)c1ccccc1 ZINC000467771139 534735024 /nfs/dbraw/zinc/73/50/24/534735024.db2.gz VAZKGBJUSDSTPG-JXMROGBWSA-N 0 0 234.302 3.687 20 0 BHADRN N#CN(C/C=C\c1ccccc1)c1ccccc1 ZINC000467771459 534735286 /nfs/dbraw/zinc/73/52/86/534735286.db2.gz VAZKGBJUSDSTPG-YFHOEESVSA-N 0 0 234.302 3.687 20 0 BHADRN Cc1cc(C)cc(CN(C#N)c2ccccc2)c1 ZINC000467775496 225016432 /nfs/dbraw/zinc/01/64/32/225016432.db2.gz DRSNKTNCAJAQBY-UHFFFAOYSA-N 0 0 236.318 3.791 20 0 BHADRN Cc1ccc(C)c(CN(C#N)c2ccccc2)c1 ZINC000467776535 225016563 /nfs/dbraw/zinc/01/65/63/225016563.db2.gz SIXYTHBPXYNARS-UHFFFAOYSA-N 0 0 236.318 3.791 20 0 BHADRN CC(C)CCC(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000467870666 527698908 /nfs/dbraw/zinc/69/89/08/527698908.db2.gz DZEUGYYSDDAVLF-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCC(=O)N[C@H]1CCCC(C)(C)C1 ZINC000467870667 527698914 /nfs/dbraw/zinc/69/89/14/527698914.db2.gz DZEUGYYSDDAVLF-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CC1(C)CCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000467871449 528982936 /nfs/dbraw/zinc/98/29/36/528982936.db2.gz MIRMVWIHSPCHAR-AWEZNQCLSA-N 0 0 249.398 3.962 20 0 BHADRN CC1(C)CCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000467871450 528957859 /nfs/dbraw/zinc/95/78/59/528957859.db2.gz MIRMVWIHSPCHAR-CQSZACIVSA-N 0 0 249.398 3.962 20 0 BHADRN CC1(C)CCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000467874143 528957365 /nfs/dbraw/zinc/95/73/65/528957365.db2.gz KKASWEXVUPBHBF-MFOWVQHXSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000467874144 528983171 /nfs/dbraw/zinc/98/31/71/528983171.db2.gz KKASWEXVUPBHBF-UYJPIKCFSA-N 0 0 249.398 3.652 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000467875484 528498669 /nfs/dbraw/zinc/49/86/69/528498669.db2.gz PTRVDEOTWYJJMC-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H]1CCCC(C)(C)C1 ZINC000467875485 528498198 /nfs/dbraw/zinc/49/81/98/528498198.db2.gz PTRVDEOTWYJJMC-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1cccc(C(=O)N[C@H]2CCCC(C)(C)C2)c1 ZINC000467876112 534623495 /nfs/dbraw/zinc/62/34/95/534623495.db2.gz RGVWDOIURXFVBF-AWEZNQCLSA-N 0 0 245.366 3.694 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CCCC(C)(C)C2)c1 ZINC000467876113 534616918 /nfs/dbraw/zinc/61/69/18/534616918.db2.gz RGVWDOIURXFVBF-CQSZACIVSA-N 0 0 245.366 3.694 20 0 BHADRN CCCC1(C(=O)N[C@@H]2CCCC(C)(C)C2)CC1 ZINC000467876476 528029647 /nfs/dbraw/zinc/02/96/47/528029647.db2.gz OHGXMMRDGOVLRI-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC1(C(=O)N[C@H]2CCCC(C)(C)C2)CC1 ZINC000467876477 528031226 /nfs/dbraw/zinc/03/12/26/528031226.db2.gz OHGXMMRDGOVLRI-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000467876933 528985178 /nfs/dbraw/zinc/98/51/78/528985178.db2.gz TZBYUEKEXNKKTI-IGQOVBAYSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000467876935 528958622 /nfs/dbraw/zinc/95/86/22/528958622.db2.gz TZBYUEKEXNKKTI-MQYQWHSLSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC(C)(C)C2)C1 ZINC000467877703 534211527 /nfs/dbraw/zinc/21/15/27/534211527.db2.gz VZEVNOUCUOQGSI-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC(C)(C)C2)C1 ZINC000467877704 225017325 /nfs/dbraw/zinc/01/73/25/225017325.db2.gz VZEVNOUCUOQGSI-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCC(C)(C)C2)C1 ZINC000467877705 534132942 /nfs/dbraw/zinc/13/29/42/534132942.db2.gz VZEVNOUCUOQGSI-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCC(C)(C)C2)C1 ZINC000467877706 534135973 /nfs/dbraw/zinc/13/59/73/534135973.db2.gz VZEVNOUCUOQGSI-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(C(=O)N[C@@H]2CCCC(C)(C)C2)CCC1 ZINC000467877864 529004929 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528937055 /nfs/dbraw/zinc/93/70/55/528937055.db2.gz NSLDDHBBRCJLPC-JTQLQIEISA-N 0 0 231.295 3.663 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1ccc2ccoc2c1 ZINC000467880493 528383341 /nfs/dbraw/zinc/38/33/41/528383341.db2.gz NSLDDHBBRCJLPC-SNVBAGLBSA-N 0 0 231.295 3.663 20 0 BHADRN CC(C)(C)CCC(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000467880929 527652705 /nfs/dbraw/zinc/65/27/05/527652705.db2.gz VVMQDSQHLCMDKQ-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)(C)CCC(=O)N[C@H]1CCCC(C)(C)C1 ZINC000467880930 527652038 /nfs/dbraw/zinc/65/20/38/527652038.db2.gz VVMQDSQHLCMDKQ-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC1(C)CCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC000467881105 528958813 /nfs/dbraw/zinc/95/88/13/528958813.db2.gz WYLRTIQXBKPYEY-CHWSQXEVSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000467881106 528958638 /nfs/dbraw/zinc/95/86/38/528958638.db2.gz WYLRTIQXBKPYEY-OLZOCXBDSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC000467881108 528984394 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527561852 /nfs/dbraw/zinc/56/18/52/527561852.db2.gz SHNANDSTLIVVOX-GFCCVEGCSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000467900296 527561155 /nfs/dbraw/zinc/56/11/55/527561155.db2.gz SHNANDSTLIVVOX-LBPRGKRZSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000467902785 528486068 /nfs/dbraw/zinc/48/60/68/528486068.db2.gz WWJWLJOILKZJAF-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000467902786 528487737 /nfs/dbraw/zinc/48/77/37/528487737.db2.gz WWJWLJOILKZJAF-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc2ccoc2c1 ZINC000467902810 527887131 /nfs/dbraw/zinc/88/71/31/527887131.db2.gz XCBKJIKUCXTJKG-CHWSQXEVSA-N 0 0 243.306 3.663 20 0 BHADRN CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc2ccoc2c1 ZINC000467902811 527877203 /nfs/dbraw/zinc/87/72/03/527877203.db2.gz XCBKJIKUCXTJKG-OLZOCXBDSA-N 0 0 243.306 3.663 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc2ccoc2c1 ZINC000467902812 528791247 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VAKMNCAJFNQKIK-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1ccc(F)cc1NC(=O)C1C(C)(C)C1(C)C ZINC000467951022 225018490 /nfs/dbraw/zinc/01/84/90/225018490.db2.gz YURQZBNVXZHWCM-UHFFFAOYSA-N 0 0 249.329 3.755 20 0 BHADRN O=C(NCCCC1CCCC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000467957882 225018641 /nfs/dbraw/zinc/01/86/41/225018641.db2.gz IDLVYTOIMORMAI-FICVDOATSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(C)C(C(=O)NC2(C)CCCCC2)C1(C)C ZINC000467995731 528870359 /nfs/dbraw/zinc/87/03/59/528870359.db2.gz RZVSMOUZYVCHIR-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000468067511 528497910 /nfs/dbraw/zinc/49/79/10/528497910.db2.gz DBFJZFLZALIQEW-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000468067512 528498728 /nfs/dbraw/zinc/49/87/28/528498728.db2.gz DBFJZFLZALIQEW-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000468067513 528498590 /nfs/dbraw/zinc/49/85/90/528498590.db2.gz DBFJZFLZALIQEW-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000468067514 528498353 /nfs/dbraw/zinc/49/83/53/528498353.db2.gz DBFJZFLZALIQEW-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000468068611 529410766 /nfs/dbraw/zinc/41/07/66/529410766.db2.gz LGMUQZMRHVDHLP-KYEXWDHISA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000468068612 529410845 /nfs/dbraw/zinc/41/08/45/529410845.db2.gz LGMUQZMRHVDHLP-QVHKTLOISA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000468068613 529410844 /nfs/dbraw/zinc/41/08/44/529410844.db2.gz LGMUQZMRHVDHLP-RGCMKSIDSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000468068614 529410788 /nfs/dbraw/zinc/41/07/88/529410788.db2.gz LGMUQZMRHVDHLP-RMRHIDDWSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)C2(C)CCCC2)CC1 ZINC000468071494 225019792 /nfs/dbraw/zinc/01/97/92/225019792.db2.gz YVYZESYDBKAQDC-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)C2(C)CCCC2)CC1 ZINC000468071495 533863900 /nfs/dbraw/zinc/86/39/00/533863900.db2.gz YVYZESYDBKAQDC-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@@H](NC(=O)C2(C)CCCC2)CC1 ZINC000468071496 225019516 /nfs/dbraw/zinc/01/95/16/225019516.db2.gz YVYZESYDBKAQDC-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@H](NC(=O)C2(C)CCCC2)CC1 ZINC000468071497 225019834 /nfs/dbraw/zinc/01/98/34/225019834.db2.gz YVYZESYDBKAQDC-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](CCNC(=O)C1CCCC1)CC(C)(C)C ZINC000468073050 225020132 /nfs/dbraw/zinc/02/01/32/225020132.db2.gz HXXMEZCCEBTTLB-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CCNC(=O)C1CCCC1)CC(C)(C)C ZINC000468073051 533591210 /nfs/dbraw/zinc/59/12/10/533591210.db2.gz HXXMEZCCEBTTLB-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN Cc1cccc(C(=O)N[C@H]2CCC[C@@H](C)CC2)c1 ZINC000468074141 534623529 /nfs/dbraw/zinc/62/35/29/534623529.db2.gz PPVWYLMYEDVWHQ-DOMZBBRYSA-N 0 0 245.366 3.694 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)c1 ZINC000468074142 534616468 /nfs/dbraw/zinc/61/64/68/534616468.db2.gz PPVWYLMYEDVWHQ-IUODEOHRSA-N 0 0 245.366 3.694 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CCC[C@H](C)CC2)c1 ZINC000468074143 534616746 /nfs/dbraw/zinc/61/67/46/534616746.db2.gz PPVWYLMYEDVWHQ-SWLSCSKDSA-N 0 0 245.366 3.694 20 0 BHADRN Cc1cccc(C(=O)N[C@H]2CCC[C@H](C)CC2)c1 ZINC000468074144 534623698 /nfs/dbraw/zinc/62/36/98/534623698.db2.gz PPVWYLMYEDVWHQ-WFASDCNBSA-N 0 0 245.366 3.694 20 0 BHADRN C[C@H](CCNC(=O)C1(C)CCC1)CC(C)(C)C ZINC000468076077 225019982 /nfs/dbraw/zinc/01/99/82/225019982.db2.gz VOXMRIJEFKQHIV-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CCNC(=O)C1(C)CCC1)CC(C)(C)C ZINC000468076078 533592091 /nfs/dbraw/zinc/59/20/91/533592091.db2.gz VOXMRIJEFKQHIV-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000468076563 527561069 /nfs/dbraw/zinc/56/10/69/527561069.db2.gz BYQTUHYDMMGRKX-CHWSQXEVSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000468076564 527560975 /nfs/dbraw/zinc/56/09/75/527560975.db2.gz BYQTUHYDMMGRKX-OLZOCXBDSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000468076565 527561607 /nfs/dbraw/zinc/56/16/07/527561607.db2.gz BYQTUHYDMMGRKX-QWHCGFSZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000468076566 527560763 /nfs/dbraw/zinc/56/07/63/527560763.db2.gz BYQTUHYDMMGRKX-STQMWFEESA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC(=O)NCC[C@@H](C)CC(C)(C)C ZINC000468076598 527663962 /nfs/dbraw/zinc/66/39/62/527663962.db2.gz CKTLTMXGMNXZNR-GFCCVEGCSA-N 0 0 227.392 3.611 20 0 BHADRN CC(C)CC(=O)NCC[C@H](C)CC(C)(C)C ZINC000468076599 527663934 /nfs/dbraw/zinc/66/39/34/527663934.db2.gz CKTLTMXGMNXZNR-LBPRGKRZSA-N 0 0 227.392 3.611 20 0 BHADRN C[C@H](CCNC(=O)C(C)(C)C)CC(C)(C)C ZINC000468076690 225019696 /nfs/dbraw/zinc/01/96/96/225019696.db2.gz DRMODGPXZSDBQE-LLVKDONJSA-N 0 0 227.392 3.611 20 0 BHADRN C[C@@H](CCNC(=O)C(C)(C)C)CC(C)(C)C ZINC000468076691 533592231 /nfs/dbraw/zinc/59/22/31/533592231.db2.gz DRMODGPXZSDBQE-NSHDSACASA-N 0 0 227.392 3.611 20 0 BHADRN CCCCC(=O)NCC[C@@H](C)CC(C)(C)C ZINC000468076852 528087994 /nfs/dbraw/zinc/08/79/94/528087994.db2.gz AWDLMMGELSRMGG-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC(=O)NCC[C@H](C)CC(C)(C)C ZINC000468076853 528088299 /nfs/dbraw/zinc/08/82/99/528088299.db2.gz AWDLMMGELSRMGG-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN C[C@H](CCNC(=O)CC1CCC1)CC(C)(C)C ZINC000468077396 225019692 /nfs/dbraw/zinc/01/96/92/225019692.db2.gz BMVUEIYJGGGWEH-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CCNC(=O)CC1CCC1)CC(C)(C)C ZINC000468077597 533593158 /nfs/dbraw/zinc/59/31/58/533593158.db2.gz BMVUEIYJGGGWEH-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H](C)C(=O)NCC[C@@H](C)CC(C)(C)C ZINC000468079439 529635820 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249.398 3.964 20 0 BHADRN CCC1(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCCC1 ZINC000472227771 323169397 /nfs/dbraw/zinc/16/93/97/323169397.db2.gz BLYCTFBXMDPFJV-WDNDVIMCSA-N 0 0 249.398 3.509 20 0 BHADRN CCC1(CNC(=O)CC2CCCC2)CCCC1 ZINC000472227887 529122919 /nfs/dbraw/zinc/12/29/19/529122919.db2.gz CHHIKDGKNYDKNR-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCC1(CNC(=O)[C@@H](C)C(C)(C)C)CCCC1 ZINC000472229486 527733103 /nfs/dbraw/zinc/73/31/03/527733103.db2.gz LMBRHGDVLMPMLR-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN CCC1(CNC(=O)[C@H](C)C(C)(C)C)CCCC1 ZINC000472229487 527736221 /nfs/dbraw/zinc/73/62/21/527736221.db2.gz LMBRHGDVLMPMLR-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CCC1(CNC(=O)c2ccccc2C)CCCC1 ZINC000472230538 527743546 /nfs/dbraw/zinc/74/35/46/527743546.db2.gz PCVJDRNLNJAYLK-UHFFFAOYSA-N 0 0 245.366 3.695 20 0 BHADRN CCCC1(C(=O)N[C@H](C)C2CCCCC2)CC1 ZINC000472230964 528031545 /nfs/dbraw/zinc/03/15/45/528031545.db2.gz HOYVSFXYCDPPLV-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC1(C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000472230965 528029223 /nfs/dbraw/zinc/02/92/23/528029223.db2.gz HOYVSFXYCDPPLV-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC1(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000472234241 528033359 /nfs/dbraw/zinc/03/33/59/528033359.db2.gz UBUSOFFXWMCHOC-KBPBESRZSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC1(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000472234242 528032356 /nfs/dbraw/zinc/03/23/56/528032356.db2.gz UBUSOFFXWMCHOC-KGLIPLIRSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC1(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000472234243 528030250 /nfs/dbraw/zinc/03/02/50/528030250.db2.gz UBUSOFFXWMCHOC-ZIAGYGMSSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC1(C(=O)N[C@@H]2CCC[C@@H](CC)C2)CC1 ZINC000472237922 528030520 /nfs/dbraw/zinc/03/05/20/528030520.db2.gz FEYDIWDDCNXBNP-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC1(C(=O)N[C@H]2CCC[C@@H](CC)C2)CC1 ZINC000472237923 528031135 /nfs/dbraw/zinc/03/11/35/528031135.db2.gz FEYDIWDDCNXBNP-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC1(C(=O)N[C@@H]2CCC[C@H](CC)C2)CC1 ZINC000472237924 528030569 /nfs/dbraw/zinc/03/05/69/528030569.db2.gz FEYDIWDDCNXBNP-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC1(C(=O)N[C@H]2CCC[C@H](CC)C2)CC1 ZINC000472237925 528031279 /nfs/dbraw/zinc/03/12/79/528031279.db2.gz FEYDIWDDCNXBNP-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CCCC1(C(=O)N[C@H](C)CCC(C)(C)C)CC1 ZINC000472243210 528031448 /nfs/dbraw/zinc/03/14/48/528031448.db2.gz WEZUQANWHIQUKS-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC1(C(=O)N[C@@H](C)CCC(C)(C)C)CC1 ZINC000472243211 528028360 /nfs/dbraw/zinc/02/83/60/528028360.db2.gz WEZUQANWHIQUKS-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC1(C(=O)N[C@@H](C)C[C@H](C)CC)CC1 ZINC000472255663 528028627 /nfs/dbraw/zinc/02/86/27/528028627.db2.gz DPYGEFHIHJETLL-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1(C(=O)N[C@H](C)C[C@@H](C)CC)CC1 ZINC000472255676 528031219 /nfs/dbraw/zinc/03/12/19/528031219.db2.gz DPYGEFHIHJETLL-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1(C(=O)N[C@@H](C)C[C@@H](C)CC)CC1 ZINC000472255678 528029217 /nfs/dbraw/zinc/02/92/17/528029217.db2.gz DPYGEFHIHJETLL-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1(C(=O)N[C@H](C)C[C@H](C)CC)CC1 ZINC000472255679 528031132 /nfs/dbraw/zinc/03/11/32/528031132.db2.gz DPYGEFHIHJETLL-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1(C(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000472256252 528022595 /nfs/dbraw/zinc/02/25/95/528022595.db2.gz GBLBKGZATCOHJF-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN CCCC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000472258644 528030366 /nfs/dbraw/zinc/03/03/66/528030366.db2.gz DREHSSMSFOTGGL-BFHYXJOUSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC1(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000472258648 528030138 /nfs/dbraw/zinc/03/01/38/528030138.db2.gz DREHSSMSFOTGGL-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000472258649 528030535 /nfs/dbraw/zinc/03/05/35/528030535.db2.gz DREHSSMSFOTGGL-MELADBBJSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC1(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000472258651 528030329 /nfs/dbraw/zinc/03/03/29/528030329.db2.gz DREHSSMSFOTGGL-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN CC1=C(C(=O)N2CCC(C(C)(C)C)CC2)CCC1 ZINC000472285289 528069360 /nfs/dbraw/zinc/06/93/60/528069360.db2.gz OPZQAFDTIVLWKU-UHFFFAOYSA-N 0 0 249.398 3.772 20 0 BHADRN CCCC1(C(=O)N2C[C@H](C)CCC[C@H]2C)CC1 ZINC000472361628 528023617 /nfs/dbraw/zinc/02/36/17/528023617.db2.gz TVDLEMTVRNLRAE-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N2C[C@H](C)CCC[C@@H]2C)CC1 ZINC000472361629 528024059 /nfs/dbraw/zinc/02/40/59/528024059.db2.gz TVDLEMTVRNLRAE-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N2C[C@@H](C)CCC[C@H]2C)CC1 ZINC000472361630 528023973 /nfs/dbraw/zinc/02/39/73/528023973.db2.gz TVDLEMTVRNLRAE-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC1(C(=O)N2C[C@@H](C)CCC[C@@H]2C)CC1 ZINC000472361631 528024668 /nfs/dbraw/zinc/02/46/68/528024668.db2.gz TVDLEMTVRNLRAE-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN 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/nfs/dbraw/zinc/10/53/83/225105383.db2.gz GGRVZPAECAJIQI-GXSJLCMTSA-N 0 0 242.771 4.000 20 0 BHADRN C[C@@H]1CC[C@@H](CSc2ccc(Cl)cc2)O1 ZINC000473782850 225105727 /nfs/dbraw/zinc/10/57/27/225105727.db2.gz GGRVZPAECAJIQI-KOLCDFICSA-N 0 0 242.771 4.000 20 0 BHADRN C[C@@H]1CC[C@H](CSc2ccc(Cl)cc2)O1 ZINC000473782851 534242991 /nfs/dbraw/zinc/24/29/91/534242991.db2.gz GGRVZPAECAJIQI-MWLCHTKSSA-N 0 0 242.771 4.000 20 0 BHADRN C[C@H]1CC[C@@H](CSc2ccc(Cl)cc2)O1 ZINC000473782852 533703176 /nfs/dbraw/zinc/70/31/76/533703176.db2.gz GGRVZPAECAJIQI-ONGXEEELSA-N 0 0 242.771 4.000 20 0 BHADRN CC(C)CSCCCCOC(C)(C)C ZINC000473787894 528209892 /nfs/dbraw/zinc/20/98/92/528209892.db2.gz WWUMTNPLGRITRD-UHFFFAOYSA-N 0 0 218.406 3.971 20 0 BHADRN C[C@H]1CC[C@@H](CSCC2CCCCC2)O1 ZINC000473788010 533702497 /nfs/dbraw/zinc/70/24/97/533702497.db2.gz XUCSADLKYQOGLP-AAEUAGOBSA-N 0 0 228.401 3.867 20 0 BHADRN C[C@@H]1CC[C@H](CSCC2CCCCC2)O1 ZINC000473788020 534243040 /nfs/dbraw/zinc/24/30/40/534243040.db2.gz XUCSADLKYQOGLP-DGCLKSJQSA-N 0 0 228.401 3.867 20 0 BHADRN C[C@H]1CC[C@H](CSCC2CCCCC2)O1 ZINC000473788022 225106986 /nfs/dbraw/zinc/10/69/86/225106986.db2.gz XUCSADLKYQOGLP-WCQYABFASA-N 0 0 228.401 3.867 20 0 BHADRN C[C@@H]1CC[C@@H](CSCC2CCCCC2)O1 ZINC000473788023 225107203 /nfs/dbraw/zinc/10/72/03/225107203.db2.gz XUCSADLKYQOGLP-YPMHNXCESA-N 0 0 228.401 3.867 20 0 BHADRN C[C@@H]1CC[C@H](CSc2ccc3c(c2)CCC3)O1 ZINC000473789013 534242917 /nfs/dbraw/zinc/24/29/17/534242917.db2.gz XEIPHNAEGQCWJM-BXUZGUMPSA-N 0 0 248.391 3.835 20 0 BHADRN C[C@H]1CC[C@@H](CSc2ccc3c(c2)CCC3)O1 ZINC000473789029 533703083 /nfs/dbraw/zinc/70/30/83/533703083.db2.gz XEIPHNAEGQCWJM-FZMZJTMJSA-N 0 0 248.391 3.835 20 0 BHADRN C[C@@H]1CC[C@@H](CSc2ccc3c(c2)CCC3)O1 ZINC000473789030 225107138 /nfs/dbraw/zinc/10/71/38/225107138.db2.gz XEIPHNAEGQCWJM-RISCZKNCSA-N 0 0 248.391 3.835 20 0 BHADRN C[C@H]1CC[C@H](CSc2ccc3c(c2)CCC3)O1 ZINC000473789034 225107184 /nfs/dbraw/zinc/10/71/84/225107184.db2.gz XEIPHNAEGQCWJM-SMDDNHRTSA-N 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ZINC000473818972 527877952 /nfs/dbraw/zinc/87/79/52/527877952.db2.gz FTOQVFOJJXNMIS-NEPJUHHUSA-N 0 0 237.730 3.571 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000473818979 528791130 /nfs/dbraw/zinc/79/11/30/528791130.db2.gz FTOQVFOJJXNMIS-NWDGAFQWSA-N 0 0 237.730 3.571 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000473818980 528771885 /nfs/dbraw/zinc/77/18/85/528771885.db2.gz FTOQVFOJJXNMIS-RYUDHWBXSA-N 0 0 237.730 3.571 20 0 BHADRN CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000473818982 527887308 /nfs/dbraw/zinc/88/73/08/527887308.db2.gz FTOQVFOJJXNMIS-VXGBXAGGSA-N 0 0 237.730 3.571 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000473834819 527561732 /nfs/dbraw/zinc/56/17/32/527561732.db2.gz GTBVRTIGWYETIU-GFCCVEGCSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000473834820 527561508 /nfs/dbraw/zinc/56/15/08/527561508.db2.gz GTBVRTIGWYETIU-LBPRGKRZSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@@H]1CCCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000473839985 529294172 /nfs/dbraw/zinc/29/41/72/529294172.db2.gz BUJHPYIBXQLLCF-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H]1CCCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000473839986 529213670 /nfs/dbraw/zinc/21/36/70/529213670.db2.gz BUJHPYIBXQLLCF-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CCc1ccccc1CNC(=O)C(C)(C)C(C)C ZINC000473843328 529581032 /nfs/dbraw/zinc/58/10/32/529581032.db2.gz MXBFIWCAAHQHQQ-UHFFFAOYSA-N 0 0 247.382 3.547 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000473844853 527561197 /nfs/dbraw/zinc/56/11/97/527561197.db2.gz CVIOLLCCFBAQFY-ITGUQSILSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(C)(C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000473844854 527558758 /nfs/dbraw/zinc/55/87/58/527558758.db2.gz CVIOLLCCFBAQFY-RYUDHWBXSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(C)(C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000473844855 527559001 /nfs/dbraw/zinc/55/90/01/527559001.db2.gz CVIOLLCCFBAQFY-VXGBXAGGSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@H](C)C1CCCCC1 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ZINC000473846334 529230338 /nfs/dbraw/zinc/23/03/38/529230338.db2.gz YPCGYHIVNSKMJZ-STQMWFEESA-N 0 0 239.403 3.754 20 0 BHADRN Cc1ccc(CNC(=O)[C@H](C)CC(C)(C)C)cc1 ZINC000473846644 534038838 /nfs/dbraw/zinc/03/88/38/534038838.db2.gz ZZVHSHCELQWSMQ-CYBMUJFWSA-N 0 0 247.382 3.684 20 0 BHADRN Cc1ccc(CNC(=O)[C@@H](C)CC(C)(C)C)cc1 ZINC000473846647 534034164 /nfs/dbraw/zinc/03/41/64/534034164.db2.gz ZZVHSHCELQWSMQ-ZDUSSCGKSA-N 0 0 247.382 3.684 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)NC[C@H](C)C(C)C)CC1 ZINC000473853602 529251592 /nfs/dbraw/zinc/25/15/92/529251592.db2.gz XFIBRJZNEXDGFH-IHRRRGAJSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)NC[C@@H](C)C(C)C)CC1 ZINC000473853604 529251632 /nfs/dbraw/zinc/25/16/32/529251632.db2.gz XFIBRJZNEXDGFH-MGPQQGTHSA-N 0 0 239.403 3.611 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)c1coc(C)c1 ZINC000473857680 528794408 /nfs/dbraw/zinc/79/44/08/528794408.db2.gz OAXOSRGWYXUFKL-CYBMUJFWSA-N 0 0 237.343 3.677 20 0 BHADRN CCCC[C@H](CCC)NC(=O)c1coc(C)c1 ZINC000473857683 528926858 /nfs/dbraw/zinc/92/68/58/528926858.db2.gz OAXOSRGWYXUFKL-ZDUSSCGKSA-N 0 0 237.343 3.677 20 0 BHADRN CC[C@@]1(C)CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC000473875700 529522423 /nfs/dbraw/zinc/52/24/23/529522423.db2.gz KRLBGVCWFOWGPB-HNNXBMFYSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@]1(C)CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC000473875701 529393684 /nfs/dbraw/zinc/39/36/84/529393684.db2.gz KRLBGVCWFOWGPB-OAHLLOKOSA-N 0 0 239.403 3.707 20 0 BHADRN CCC1(CC)CCN(C(=O)C(C)(C)C(C)C)C1 ZINC000473877839 529047975 /nfs/dbraw/zinc/04/79/75/529047975.db2.gz RZDZDLMUVLALBY-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)C(C)(C)C(=O)N1CCCC(C)(C)CC1 ZINC000473891675 527557380 /nfs/dbraw/zinc/55/73/80/527557380.db2.gz CEEDLNUYQWIHII-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC000473891951 529315506 /nfs/dbraw/zinc/31/55/06/529315506.db2.gz CMPKQJLPIJSKRG-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000473891954 529304612 /nfs/dbraw/zinc/30/46/12/529304612.db2.gz CMPKQJLPIJSKRG-MCIONIFRSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC000473891956 529304734 /nfs/dbraw/zinc/30/47/34/529304734.db2.gz CMPKQJLPIJSKRG-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000473891958 529315454 /nfs/dbraw/zinc/31/54/54/529315454.db2.gz CMPKQJLPIJSKRG-RDBSUJKOSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N(C)CC(C)(C)C)CC1 ZINC000473894261 529250059 /nfs/dbraw/zinc/25/00/59/529250059.db2.gz DXWXNLNZXGXZJH-JOCQHMNTSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H]1CCCCCN1C(=O)[C@@H]1CC12CCCC2 ZINC000473897525 529196687 /nfs/dbraw/zinc/19/66/87/529196687.db2.gz VXMMPHRTODEJNM-KBPBESRZSA-N 0 0 249.398 3.748 20 0 BHADRN CC[C@@H]1CCCCCN1C(=O)[C@@H]1CC12CCCC2 ZINC000473897526 529267773 /nfs/dbraw/zinc/26/77/73/529267773.db2.gz VXMMPHRTODEJNM-KGLIPLIRSA-N 0 0 249.398 3.748 20 0 BHADRN CC[C@H]1CCCCCN1C(=O)[C@H]1CC12CCCC2 ZINC000473897527 529196417 /nfs/dbraw/zinc/19/64/17/529196417.db2.gz VXMMPHRTODEJNM-UONOGXRCSA-N 0 0 249.398 3.748 20 0 BHADRN CC[C@@H]1CCCCCN1C(=O)[C@H]1CC12CCCC2 ZINC000473897528 529267612 /nfs/dbraw/zinc/26/76/12/529267612.db2.gz VXMMPHRTODEJNM-ZIAGYGMSSA-N 0 0 249.398 3.748 20 0 BHADRN C[C@H]1CC(NC(=O)[C@@H]2CC23CCCC3)C[C@H](C)C1 ZINC000473898929 225106325 /nfs/dbraw/zinc/10/63/25/225106325.db2.gz XRKPLDRZZMJRMG-BZPMIXESSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1C[C@H](NC(=O)[C@@H]2CC23CCCC3)C[C@@H](C)C1 ZINC000473898930 225106635 /nfs/dbraw/zinc/10/66/35/225106635.db2.gz XRKPLDRZZMJRMG-DGAVXFQQSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1CC(NC(=O)[C@H]2CC23CCCC3)C[C@H](C)C1 ZINC000473898931 225106672 /nfs/dbraw/zinc/10/66/72/225106672.db2.gz XRKPLDRZZMJRMG-YRGRVCCFSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1C[C@H](NC(=O)[C@H]2CC23CCCC3)C[C@@H](C)C1 ZINC000473898932 225107093 /nfs/dbraw/zinc/10/70/93/225107093.db2.gz XRKPLDRZZMJRMG-ZOBORPQBSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)C[C@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC000473900585 528593211 /nfs/dbraw/zinc/59/32/11/528593211.db2.gz IBRCFRLGOOJMCV-CYBMUJFWSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C[C@@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC000473900586 528384950 /nfs/dbraw/zinc/38/49/50/528384950.db2.gz IBRCFRLGOOJMCV-ZDUSSCGKSA-N 0 0 239.403 3.563 20 0 BHADRN CCC1(CNC(=O)C(C)(C)C(C)C)CCCC1 ZINC000473945726 529122252 /nfs/dbraw/zinc/12/22/52/529122252.db2.gz FFDHKFYGWYNTMX-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN c1cc2c(c(N[C@@H]3CCC34CCCC4)c1)OCO2 ZINC000474027602 225108373 /nfs/dbraw/zinc/10/83/73/225108373.db2.gz JBHGDSCRKVEPLD-CYBMUJFWSA-N 0 0 245.322 3.550 20 0 BHADRN c1cc2c(c(N[C@H]3CCC34CCCC4)c1)OCO2 ZINC000474027605 225107897 /nfs/dbraw/zinc/10/78/97/225107897.db2.gz JBHGDSCRKVEPLD-ZDUSSCGKSA-N 0 0 245.322 3.550 20 0 BHADRN CC(C)Cn1cc(N[C@H]2CCC23CCCC3)cn1 ZINC000474035728 528721868 /nfs/dbraw/zinc/72/18/68/528721868.db2.gz VXSNWKRSSFWNLJ-AWEZNQCLSA-N 0 0 247.386 3.674 20 0 BHADRN CC(C)Cn1cc(N[C@@H]2CCC23CCCC3)cn1 ZINC000474035729 528722746 /nfs/dbraw/zinc/72/27/46/528722746.db2.gz VXSNWKRSSFWNLJ-CQSZACIVSA-N 0 0 247.386 3.674 20 0 BHADRN COc1cc(N[C@H]2CCC23CCCC3)ccc1F ZINC000474038292 533039704 /nfs/dbraw/zinc/03/97/04/533039704.db2.gz ZIIOYDMRLAIKSE-AWEZNQCLSA-N 0 0 249.329 3.969 20 0 BHADRN COc1cc(N[C@@H]2CCC23CCCC3)ccc1F ZINC000474038293 533036391 /nfs/dbraw/zinc/03/63/91/533036391.db2.gz ZIIOYDMRLAIKSE-CQSZACIVSA-N 0 0 249.329 3.969 20 0 BHADRN CC(C)[C@H](N[C@@H]1CCC12CCCC2)C(F)(F)F ZINC000474051629 529125466 /nfs/dbraw/zinc/12/54/66/529125466.db2.gz CFIJQEANTPRISV-MNOVXSKESA-N 0 0 249.320 3.886 20 0 BHADRN CC(C)[C@H](N[C@H]1CCC12CCCC2)C(F)(F)F ZINC000474051631 529126610 /nfs/dbraw/zinc/12/66/10/529126610.db2.gz CFIJQEANTPRISV-QWRGUYRKSA-N 0 0 249.320 3.886 20 0 BHADRN COc1cc(F)ccc1N[C@H]1CCC12CCCC2 ZINC000474062451 532951515 /nfs/dbraw/zinc/95/15/15/532951515.db2.gz VOYMBLIAUOUWCC-AWEZNQCLSA-N 0 0 249.329 3.969 20 0 BHADRN COc1cc(F)ccc1N[C@@H]1CCC12CCCC2 ZINC000474062452 534025948 /nfs/dbraw/zinc/02/59/48/534025948.db2.gz VOYMBLIAUOUWCC-CQSZACIVSA-N 0 0 249.329 3.969 20 0 BHADRN COc1ccccc1N[C@H]1CCC12CCCC2 ZINC000474062500 534190103 /nfs/dbraw/zinc/19/01/03/534190103.db2.gz WFYLBSPRASGHCD-AWEZNQCLSA-N 0 0 231.339 3.830 20 0 BHADRN COc1ccccc1N[C@@H]1CCC12CCCC2 ZINC000474062551 534189190 /nfs/dbraw/zinc/18/91/90/534189190.db2.gz WFYLBSPRASGHCD-CQSZACIVSA-N 0 0 231.339 3.830 20 0 BHADRN COc1cccc(N[C@H]2CCC23CCCC3)c1 ZINC000474067831 533620600 /nfs/dbraw/zinc/62/06/00/533620600.db2.gz QHNIQZYYSNIIHC-AWEZNQCLSA-N 0 0 231.339 3.830 20 0 BHADRN COc1cccc(N[C@@H]2CCC23CCCC3)c1 ZINC000474067832 533620196 /nfs/dbraw/zinc/62/01/96/533620196.db2.gz QHNIQZYYSNIIHC-CQSZACIVSA-N 0 0 231.339 3.830 20 0 BHADRN CC(C)CNC(=O)CC(C)(C)C1CCCCC1 ZINC000474071508 528029837 /nfs/dbraw/zinc/02/98/37/528029837.db2.gz DWBDAFPRKDEUCX-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN COc1ccc(F)cc1N[C@H]1CCC12CCCC2 ZINC000474071600 386189359 /nfs/dbraw/zinc/18/93/59/386189359.db2.gz GIXKOMZWMGWMOI-AWEZNQCLSA-N 0 0 249.329 3.969 20 0 BHADRN COc1ccc(F)cc1N[C@@H]1CCC12CCCC2 ZINC000474071601 219893579 /nfs/dbraw/zinc/89/35/79/219893579.db2.gz GIXKOMZWMGWMOI-CQSZACIVSA-N 0 0 249.329 3.969 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCC1CCCCC1 ZINC000474071800 528449278 /nfs/dbraw/zinc/44/92/78/528449278.db2.gz FYNVRGMBTWPDEP-HNNXBMFYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCC1CCCCC1 ZINC000474071801 527881217 /nfs/dbraw/zinc/88/12/17/527881217.db2.gz FYNVRGMBTWPDEP-OAHLLOKOSA-N 0 0 239.403 3.899 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C ZINC000474071903 529284655 /nfs/dbraw/zinc/28/46/55/529284655.db2.gz GUEAIQRDMHSOJM-BFHYXJOUSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C ZINC000474071904 529275362 /nfs/dbraw/zinc/27/53/62/529275362.db2.gz GUEAIQRDMHSOJM-MCIONIFRSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C ZINC000474071905 529284768 /nfs/dbraw/zinc/28/47/68/529284768.db2.gz GUEAIQRDMHSOJM-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C ZINC000474071906 529275232 /nfs/dbraw/zinc/27/52/32/529275232.db2.gz GUEAIQRDMHSOJM-MJBXVCDLSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@](C)(CC)C(=O)N(C)Cc1ccccc1 ZINC000474071917 528446068 /nfs/dbraw/zinc/44/60/68/528446068.db2.gz GZGMTIBARWGDBN-INIZCTEOSA-N 0 0 247.382 3.861 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N(C)Cc1ccccc1 ZINC000474071918 527879684 /nfs/dbraw/zinc/87/96/84/527879684.db2.gz GZGMTIBARWGDBN-MRXNPFEDSA-N 0 0 247.382 3.861 20 0 BHADRN CCCN(CCC)C(=O)[C@H]1CCCC[C@@H]1CC ZINC000474071924 528050450 /nfs/dbraw/zinc/05/04/50/528050450.db2.gz HEBCKIQILXKWQB-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCN(CCC)C(=O)[C@H]1CCCC[C@H]1CC ZINC000474071925 528050128 /nfs/dbraw/zinc/05/01/28/528050128.db2.gz HEBCKIQILXKWQB-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCCN(CCC)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC000474072126 528049933 /nfs/dbraw/zinc/04/99/33/528049933.db2.gz HEBCKIQILXKWQB-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCN(CCC)C(=O)[C@@H]1CCCC[C@H]1CC ZINC000474072127 528049693 /nfs/dbraw/zinc/04/96/93/528049693.db2.gz HEBCKIQILXKWQB-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CC)C(=O)[C@@](C)(CC)CCC ZINC000474072453 386191093 /nfs/dbraw/zinc/19/10/93/386191093.db2.gz DERWBNGZTCFYFL-AWEZNQCLSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCN(CC)C(=O)[C@](C)(CC)CCC ZINC000474072462 386191776 /nfs/dbraw/zinc/19/17/76/386191776.db2.gz DERWBNGZTCFYFL-CQSZACIVSA-N 0 0 227.392 3.851 20 0 BHADRN CCCN(CCC)C(=O)[C@@](C)(CC)CCC ZINC000474073480 528050389 /nfs/dbraw/zinc/05/03/89/528050389.db2.gz MKYRPPUWJOGUAP-AWEZNQCLSA-N 0 0 227.392 3.851 20 0 BHADRN CCCN(CCC)C(=O)[C@](C)(CC)CCC ZINC000474073482 528050292 /nfs/dbraw/zinc/05/02/92/528050292.db2.gz MKYRPPUWJOGUAP-CQSZACIVSA-N 0 0 227.392 3.851 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCCC[C@@H]1C ZINC000474073992 527879336 /nfs/dbraw/zinc/87/93/36/527879336.db2.gz PKIWKAYJZIGRCX-GXTWGEPZSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCCC[C@@H]1C ZINC000474073993 528446614 /nfs/dbraw/zinc/44/66/14/528446614.db2.gz PKIWKAYJZIGRCX-JSGCOSHPSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCCC[C@H]1C ZINC000474073994 528448005 /nfs/dbraw/zinc/44/80/05/528448005.db2.gz PKIWKAYJZIGRCX-OCCSQVGLSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCCC[C@H]1C ZINC000474073995 527878677 /nfs/dbraw/zinc/87/86/77/527878677.db2.gz PKIWKAYJZIGRCX-TZMCWYRMSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCc2ccccc21 ZINC000474075450 528448619 /nfs/dbraw/zinc/44/86/19/528448619.db2.gz WBHXUWRFQHXJLK-INIZCTEOSA-N 0 0 245.366 3.792 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCc2ccccc21 ZINC000474075451 527880457 /nfs/dbraw/zinc/88/04/57/527880457.db2.gz WBHXUWRFQHXJLK-MRXNPFEDSA-N 0 0 245.366 3.792 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1cccc(OC)c1 ZINC000474076281 528453426 /nfs/dbraw/zinc/45/34/26/528453426.db2.gz RPKYYOOIBABYBC-HNNXBMFYSA-N 0 0 249.354 3.850 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1cccc(OC)c1 ZINC000474076282 527883755 /nfs/dbraw/zinc/88/37/55/527883755.db2.gz RPKYYOOIBABYBC-OAHLLOKOSA-N 0 0 249.354 3.850 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccccc1 ZINC000474077916 529276094 /nfs/dbraw/zinc/27/60/94/529276094.db2.gz DTAVSKZNSHQFKM-CABCVRRESA-N 0 0 245.366 3.519 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1 ZINC000474077917 529203503 /nfs/dbraw/zinc/20/35/03/529203503.db2.gz DTAVSKZNSHQFKM-GJZGRUSLSA-N 0 0 245.366 3.519 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1 ZINC000474077918 529285443 /nfs/dbraw/zinc/28/54/43/529285443.db2.gz DTAVSKZNSHQFKM-HUUCEWRRSA-N 0 0 245.366 3.519 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NCc1ccccc1 ZINC000474077920 529208538 /nfs/dbraw/zinc/20/85/38/529208538.db2.gz DTAVSKZNSHQFKM-LSDHHAIUSA-N 0 0 245.366 3.519 20 0 BHADRN CCCCNC(=O)CC(C)(C)C1CCCCC1 ZINC000474078064 528496092 /nfs/dbraw/zinc/49/60/92/528496092.db2.gz HOWQLDRJJOVBGA-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)N1CCCCCC1 ZINC000474078378 529203097 /nfs/dbraw/zinc/20/30/97/529203097.db2.gz HZXLDJGFOBJCKK-KBPBESRZSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N1CCCCCC1 ZINC000474078380 529275169 /nfs/dbraw/zinc/27/51/69/529275169.db2.gz HZXLDJGFOBJCKK-KGLIPLIRSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)N1CCCCCC1 ZINC000474078382 529208233 /nfs/dbraw/zinc/20/82/33/529208233.db2.gz HZXLDJGFOBJCKK-UONOGXRCSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N1CCCCCC1 ZINC000474078384 529284792 /nfs/dbraw/zinc/28/47/92/529284792.db2.gz HZXLDJGFOBJCKK-ZIAGYGMSSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000474078475 528451749 /nfs/dbraw/zinc/45/17/49/528451749.db2.gz IUKJULVQRKZDPF-GUTXKFCHSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CCCC[C@H]1C ZINC000474078476 528451400 /nfs/dbraw/zinc/45/14/00/528451400.db2.gz IUKJULVQRKZDPF-IPYPFGDCSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000474078478 528451990 /nfs/dbraw/zinc/45/19/90/528451990.db2.gz IUKJULVQRKZDPF-NFAWXSAZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000474078480 528451851 /nfs/dbraw/zinc/45/18/51/528451851.db2.gz IUKJULVQRKZDPF-YDHLFZDLSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)NC(=O)CC(C)(C)C1CCCCC1 ZINC000474078956 529117405 /nfs/dbraw/zinc/11/74/05/529117405.db2.gz BWZZRXPCTKFHMH-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CCCNC(=O)CC(C)(C)C1CCCCC1 ZINC000474079076 528341557 /nfs/dbraw/zinc/34/15/57/528341557.db2.gz JYBQNRGGYZSGJP-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCN(CC)C(=O)[C@H]1CCCC[C@@H]1CC ZINC000474079678 528393310 /nfs/dbraw/zinc/39/33/10/528393310.db2.gz MDCRHBIBIVNMEX-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CC)C(=O)[C@H]1CCCC[C@H]1CC ZINC000474079679 528392709 /nfs/dbraw/zinc/39/27/09/528392709.db2.gz MDCRHBIBIVNMEX-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CC)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC000474079680 528391269 /nfs/dbraw/zinc/39/12/69/528391269.db2.gz MDCRHBIBIVNMEX-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CC)C(=O)[C@@H]1CCCC[C@H]1CC ZINC000474079681 528391793 /nfs/dbraw/zinc/39/17/93/528391793.db2.gz MDCRHBIBIVNMEX-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@](C)(CC)C(=O)NC1CCCCC1 ZINC000474080759 528449539 /nfs/dbraw/zinc/44/95/39/528449539.db2.gz HIZXPTOHQZEGPR-AWEZNQCLSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NC1CCCCC1 ZINC000474080760 527881735 /nfs/dbraw/zinc/88/17/35/527881735.db2.gz HIZXPTOHQZEGPR-CQSZACIVSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCc1ccccc1 ZINC000474080840 528450295 /nfs/dbraw/zinc/45/02/95/528450295.db2.gz OQZIWHAHNZPAGS-HNNXBMFYSA-N 0 0 233.355 3.519 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCc1ccccc1 ZINC000474080841 527883209 /nfs/dbraw/zinc/88/32/09/527883209.db2.gz OQZIWHAHNZPAGS-OAHLLOKOSA-N 0 0 233.355 3.519 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCCCCC1 ZINC000474080869 528445957 /nfs/dbraw/zinc/44/59/57/528445957.db2.gz OYPHUHYCRAPPPB-AWEZNQCLSA-N 0 0 225.376 3.605 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCCCCC1 ZINC000474080870 527879464 /nfs/dbraw/zinc/87/94/64/527879464.db2.gz OYPHUHYCRAPPPB-CQSZACIVSA-N 0 0 225.376 3.605 20 0 BHADRN CC(C)(CC(=O)N1CCCC1)C1CCCCC1 ZINC000474082604 526962290 /nfs/dbraw/zinc/96/22/90/526962290.db2.gz SGKCEDVUWADBLL-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1ccccc1F ZINC000474082996 528452727 /nfs/dbraw/zinc/45/27/27/528452727.db2.gz NHRWWYRWRVQQMS-AWEZNQCLSA-N 0 0 237.318 3.981 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1ccccc1F ZINC000474083002 527884069 /nfs/dbraw/zinc/88/40/69/527884069.db2.gz NHRWWYRWRVQQMS-CQSZACIVSA-N 0 0 237.318 3.981 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1ccc(OC)cc1 ZINC000474084429 528453066 /nfs/dbraw/zinc/45/30/66/528453066.db2.gz YBEULGHNLWFNKE-HNNXBMFYSA-N 0 0 249.354 3.850 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1ccc(OC)cc1 ZINC000474084431 527884479 /nfs/dbraw/zinc/88/44/79/527884479.db2.gz YBEULGHNLWFNKE-OAHLLOKOSA-N 0 0 249.354 3.850 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NC1CCCCC1 ZINC000474084577 529208632 /nfs/dbraw/zinc/20/86/32/529208632.db2.gz SKLQNIACMUBAFD-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NC1CCCCC1 ZINC000474084579 529202973 /nfs/dbraw/zinc/20/29/73/529202973.db2.gz SKLQNIACMUBAFD-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NC1CCCCC1 ZINC000474084581 529275656 /nfs/dbraw/zinc/27/56/56/529275656.db2.gz SKLQNIACMUBAFD-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NC1CCCCC1 ZINC000474084583 529285141 /nfs/dbraw/zinc/28/51/41/529285141.db2.gz SKLQNIACMUBAFD-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1cccc(F)c1 ZINC000474085431 528452811 /nfs/dbraw/zinc/45/28/11/528452811.db2.gz XFKTWDCBCPFDKD-AWEZNQCLSA-N 0 0 237.318 3.981 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1cccc(F)c1 ZINC000474085432 527884363 /nfs/dbraw/zinc/88/43/63/527884363.db2.gz XFKTWDCBCPFDKD-CQSZACIVSA-N 0 0 237.318 3.981 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1F ZINC000474085488 529276573 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/nfs/dbraw/zinc/20/34/03/529203403.db2.gz CUQSZVMIJRVNPI-JSGCOSHPSA-N 0 0 231.339 3.842 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000474086291 529276460 /nfs/dbraw/zinc/27/64/60/529276460.db2.gz CUQSZVMIJRVNPI-OCCSQVGLSA-N 0 0 231.339 3.842 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1 ZINC000474086292 529285613 /nfs/dbraw/zinc/28/56/13/529285613.db2.gz CUQSZVMIJRVNPI-TZMCWYRMSA-N 0 0 231.339 3.842 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1ccc(F)cc1 ZINC000474086305 528452725 /nfs/dbraw/zinc/45/27/25/528452725.db2.gz DBWVPIYRHUDWCU-AWEZNQCLSA-N 0 0 237.318 3.981 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1ccc(F)cc1 ZINC000474086306 527884449 /nfs/dbraw/zinc/88/44/49/527884449.db2.gz DBWVPIYRHUDWCU-CQSZACIVSA-N 0 0 237.318 3.981 20 0 BHADRN CCC[C@](C)(CC)C(=O)N(C)c1ccccc1 ZINC000474087070 528446535 /nfs/dbraw/zinc/44/65/35/528446535.db2.gz DYKLZMVTCLBYCQ-HNNXBMFYSA-N 0 0 233.355 3.866 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N(C)c1ccccc1 ZINC000474087072 527878937 /nfs/dbraw/zinc/87/89/37/527878937.db2.gz DYKLZMVTCLBYCQ-OAHLLOKOSA-N 0 0 233.355 3.866 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000474089932 528449434 /nfs/dbraw/zinc/44/94/34/528449434.db2.gz PLLPXLBUYGLDAP-GUTXKFCHSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000474089933 528448866 /nfs/dbraw/zinc/44/88/66/528448866.db2.gz PLLPXLBUYGLDAP-NFAWXSAZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000474089934 527881044 /nfs/dbraw/zinc/88/10/44/527881044.db2.gz PLLPXLBUYGLDAP-VNHYZAJKSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000474089935 528448733 /nfs/dbraw/zinc/44/87/33/528448733.db2.gz PLLPXLBUYGLDAP-YDHLFZDLSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H](C)NC(=O)CC(C)(C)C1CCCCC1 ZINC000474090403 529358077 /nfs/dbraw/zinc/35/80/77/529358077.db2.gz SPFZITKYMBZSMN-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)NC(=O)CC(C)(C)C1CCCCC1 ZINC000474090404 529702888 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BHADRN C[C@@H](C(=O)N1CCCCC(C)(C)C1)C(C)(C)C ZINC000474102597 533197470 /nfs/dbraw/zinc/19/74/70/533197470.db2.gz BLVGQUAWKBBPNJ-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN CC1(C)CCCCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000474103188 528911113 /nfs/dbraw/zinc/91/11/13/528911113.db2.gz CAIDARACZQWEON-AWEZNQCLSA-N 0 0 249.398 3.772 20 0 BHADRN CC1(C)CCCCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000474103189 528910976 /nfs/dbraw/zinc/91/09/76/528910976.db2.gz CAIDARACZQWEON-CQSZACIVSA-N 0 0 249.398 3.772 20 0 BHADRN CC(C)C(C)(C)C(=O)N1CCCCC(C)(C)C1 ZINC000474103879 527556802 /nfs/dbraw/zinc/55/68/02/527556802.db2.gz FSTLNPLBTAEAJK-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)CC(=O)N1CCCCC(C)(C)C1 ZINC000474104598 528728373 /nfs/dbraw/zinc/72/83/73/528728373.db2.gz NLANCEOIDWOMSX-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1CCCCC(C)(C)C1 ZINC000474105524 528242498 /nfs/dbraw/zinc/24/24/98/528242498.db2.gz KFWRLDKQYVJDDK-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN 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ZINC000474191821 527882491 /nfs/dbraw/zinc/88/24/91/527882491.db2.gz BBZVNYTVQIEGSU-MRXNPFEDSA-N 0 0 247.382 3.828 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CC23CCCC3)c1 ZINC000474192357 225113203 /nfs/dbraw/zinc/11/32/03/225113203.db2.gz SNUUMCLOSVPSBJ-CYBMUJFWSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC000474192358 225113713 /nfs/dbraw/zinc/11/37/13/225113713.db2.gz SNUUMCLOSVPSBJ-ZDUSSCGKSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CC23CCCC3)c1C ZINC000474193562 225113388 /nfs/dbraw/zinc/11/33/88/225113388.db2.gz FZHIFQUJWARHBE-CYBMUJFWSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC23CCCC3)c1C ZINC000474193576 225113007 /nfs/dbraw/zinc/11/30/07/225113007.db2.gz FZHIFQUJWARHBE-ZDUSSCGKSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CC23CCCC3)c(C)c1 ZINC000474193586 534189342 /nfs/dbraw/zinc/18/93/42/534189342.db2.gz GAIDABJBQWGYKE-CYBMUJFWSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC23CCCC3)c(C)c1 ZINC000474193588 225113875 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/nfs/dbraw/zinc/16/02/12/534160212.db2.gz DSIGBAHAGLJZIF-LBPRGKRZSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@H]2CC23CCCC3)c1 ZINC000474203358 225113015 /nfs/dbraw/zinc/11/30/15/225113015.db2.gz HKJJVLUGNVVUCK-LLVKDONJSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC000474203359 225113372 /nfs/dbraw/zinc/11/33/72/225113372.db2.gz HKJJVLUGNVVUCK-NSHDSACASA-N 0 0 247.313 3.653 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)[C@H]1CC12CCCC2 ZINC000474203390 527803737 /nfs/dbraw/zinc/80/37/37/527803737.db2.gz HZTKVJXPRTXIJH-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)[C@@H]1CC12CCCC2 ZINC000474203391 527803543 /nfs/dbraw/zinc/80/35/43/527803543.db2.gz HZTKVJXPRTXIJH-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@H]1CC12CCCC2 ZINC000474203392 527842231 /nfs/dbraw/zinc/84/22/31/527842231.db2.gz HZTKVJXPRTXIJH-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@@H]1CC12CCCC2 ZINC000474203393 527841748 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/nfs/dbraw/zinc/34/75/59/534347559.db2.gz NRFVHHNSYINDTI-LBPRGKRZSA-N 0 0 249.741 3.859 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H]1CC12CCCC2 ZINC000474206305 225113141 /nfs/dbraw/zinc/11/31/41/225113141.db2.gz CWUGTJNWFGDBOV-GFCCVEGCSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1CC12CCCC2 ZINC000474206307 225113268 /nfs/dbraw/zinc/11/32/68/225113268.db2.gz CWUGTJNWFGDBOV-LBPRGKRZSA-N 0 0 247.313 3.653 20 0 BHADRN CCc1cccc(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC000474208301 529541496 /nfs/dbraw/zinc/54/14/96/529541496.db2.gz GRCUYUQXRHQKPA-AWEZNQCLSA-N 0 0 243.350 3.768 20 0 BHADRN CCc1cccc(NC(=O)[C@H]2CC23CCCC3)c1 ZINC000474208302 529541948 /nfs/dbraw/zinc/54/19/48/529541948.db2.gz GRCUYUQXRHQKPA-CQSZACIVSA-N 0 0 243.350 3.768 20 0 BHADRN O=C(NCCC1=CCCCC1)[C@@H]1CC12CCCC2 ZINC000474211163 225113159 /nfs/dbraw/zinc/11/31/59/225113159.db2.gz MYFGNWORVYAITM-AWEZNQCLSA-N 0 0 247.382 3.573 20 0 BHADRN O=C(NCCC1=CCCCC1)[C@H]1CC12CCCC2 ZINC000474211165 225113339 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ZINC000474234030 529250635 /nfs/dbraw/zinc/25/06/35/529250635.db2.gz ZYZUXFAVIKLBBJ-ZQDZILKHSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)C(C)(C)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000474239421 527557991 /nfs/dbraw/zinc/55/79/91/527557991.db2.gz PFYDPUBYTYQVRY-CHWSQXEVSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C(C)(C)C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000474239422 527558375 /nfs/dbraw/zinc/55/83/75/527558375.db2.gz PFYDPUBYTYQVRY-OLZOCXBDSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C(C)(C)C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000474239423 527558739 /nfs/dbraw/zinc/55/87/39/527558739.db2.gz PFYDPUBYTYQVRY-QWHCGFSZSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C(C)(C)C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000474239424 527558033 /nfs/dbraw/zinc/55/80/33/527558033.db2.gz PFYDPUBYTYQVRY-STQMWFEESA-N 0 0 239.403 3.563 20 0 BHADRN CCC1CCN(C(=O)c2c(C)cccc2C)CC1 ZINC000474248762 527868293 /nfs/dbraw/zinc/86/82/93/527868293.db2.gz QJSHOOIHHLSREX-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1cc(F)cc(NC(=O)C(C)(C)C(C)C)c1 ZINC000474249750 533827773 /nfs/dbraw/zinc/82/77/73/533827773.db2.gz NDRGXWIFNLJXEA-UHFFFAOYSA-N 0 0 237.318 3.755 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@@H]1C ZINC000474251698 533876188 /nfs/dbraw/zinc/87/61/88/533876188.db2.gz JLGOLOIAHUOUFQ-MQYQWHSLSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1C ZINC000474251700 533876599 /nfs/dbraw/zinc/87/65/99/533876599.db2.gz JLGOLOIAHUOUFQ-RFGFWPKPSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1C ZINC000474251702 533876625 /nfs/dbraw/zinc/87/66/25/533876625.db2.gz JLGOLOIAHUOUFQ-RQJABVFESA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@@H]1C ZINC000474251704 533876924 /nfs/dbraw/zinc/87/69/24/533876924.db2.gz JLGOLOIAHUOUFQ-SYQHCUMBSA-N 0 0 249.398 3.508 20 0 BHADRN CN(C(=O)[C@@H]1CC12CCCC2)C1CCCCCC1 ZINC000474251971 225114494 /nfs/dbraw/zinc/11/44/94/225114494.db2.gz RCEKHPYJSHZKEX-AWEZNQCLSA-N 0 0 249.398 3.748 20 0 BHADRN 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MGUWJVXKLBQUQO-MGPQQGTHSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC12CCCC2 ZINC000474258887 225114674 /nfs/dbraw/zinc/11/46/74/225114674.db2.gz MGUWJVXKLBQUQO-RDBSUJKOSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC000474259175 225114774 /nfs/dbraw/zinc/11/47/74/225114774.db2.gz OFDOOWPPPVIYAD-HZSPNIEDSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC000474259177 533760316 /nfs/dbraw/zinc/76/03/16/533760316.db2.gz OFDOOWPPPVIYAD-MCIONIFRSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC000474259179 533759644 /nfs/dbraw/zinc/75/96/44/533759644.db2.gz OFDOOWPPPVIYAD-MGPQQGTHSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC000474259181 225114899 /nfs/dbraw/zinc/11/48/99/225114899.db2.gz OFDOOWPPPVIYAD-RDBSUJKOSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)CCN(C(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC000474259924 538737924 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CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCCC2 ZINC000474277463 528648299 /nfs/dbraw/zinc/64/82/99/528648299.db2.gz SWSJKFYVUWWNNI-KBPBESRZSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@@H]1CCCCN1C(=O)[C@H]1CC12CCCC2 ZINC000474277464 528649486 /nfs/dbraw/zinc/64/94/86/528649486.db2.gz SWSJKFYVUWWNNI-KGLIPLIRSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)[C@@H]1CC12CCCC2 ZINC000474277465 527760818 /nfs/dbraw/zinc/76/08/18/527760818.db2.gz SWSJKFYVUWWNNI-UONOGXRCSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)[C@H]1CC12CCCC2 ZINC000474277466 527760276 /nfs/dbraw/zinc/76/02/76/527760276.db2.gz SWSJKFYVUWWNNI-ZIAGYGMSSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000474281688 529215287 /nfs/dbraw/zinc/21/52/87/529215287.db2.gz DUYCTLGPKGNWIU-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000474281689 529295863 /nfs/dbraw/zinc/29/58/63/529295863.db2.gz DUYCTLGPKGNWIU-KGLIPLIRSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@H]1CCCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000474281690 529215917 /nfs/dbraw/zinc/21/59/17/529215917.db2.gz DUYCTLGPKGNWIU-UONOGXRCSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000474281691 529296108 /nfs/dbraw/zinc/29/61/08/529296108.db2.gz DUYCTLGPKGNWIU-ZIAGYGMSSA-N 0 0 249.398 3.605 20 0 BHADRN CC(C)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000474284492 527522326 /nfs/dbraw/zinc/52/23/26/527522326.db2.gz RHYJSSXEVDESBC-CHWSQXEVSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000474284493 527529057 /nfs/dbraw/zinc/52/90/57/527529057.db2.gz RHYJSSXEVDESBC-OLZOCXBDSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000474284494 527522630 /nfs/dbraw/zinc/52/26/30/527522630.db2.gz RHYJSSXEVDESBC-QWHCGFSZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000474284495 527528477 /nfs/dbraw/zinc/52/84/77/527528477.db2.gz RHYJSSXEVDESBC-STQMWFEESA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCc1ccccc1C ZINC000474287777 528450204 /nfs/dbraw/zinc/45/02/04/528450204.db2.gz YCFKOWSAVMFSAU-INIZCTEOSA-N 0 0 247.382 3.828 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCc1ccccc1C ZINC000474287778 527882683 /nfs/dbraw/zinc/88/26/83/527882683.db2.gz YCFKOWSAVMFSAU-MRXNPFEDSA-N 0 0 247.382 3.828 20 0 BHADRN CCc1cccc(Cl)c1CNCc1ccco1 ZINC000474345422 529172810 /nfs/dbraw/zinc/17/28/10/529172810.db2.gz GYFVWJQGNOWFOD-UHFFFAOYSA-N 0 0 249.741 3.785 20 0 BHADRN C[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC000474357156 533598453 /nfs/dbraw/zinc/59/84/53/533598453.db2.gz SXKWOQKASYAPGJ-HZSPNIEDSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC000474357158 225114227 /nfs/dbraw/zinc/11/42/27/225114227.db2.gz SXKWOQKASYAPGJ-MCIONIFRSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC000474357165 225116007 /nfs/dbraw/zinc/11/60/07/225116007.db2.gz SXKWOQKASYAPGJ-MGPQQGTHSA-N 0 0 249.398 3.509 20 0 BHADRN 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249.398 3.653 20 0 BHADRN O=C(NCCC1CCCCC1)[C@H]1CC12CCCC2 ZINC000474372283 225115879 /nfs/dbraw/zinc/11/58/79/225115879.db2.gz BAMUQLCSXBJZFB-CQSZACIVSA-N 0 0 249.398 3.653 20 0 BHADRN CCOC[C@H]1CCC[C@H]1Nc1ccc(CC)cc1 ZINC000474372490 529022220 /nfs/dbraw/zinc/02/22/20/529022220.db2.gz DKBQPXKFPMLEJA-GDBMZVCRSA-N 0 0 247.382 3.866 20 0 BHADRN CCOC[C@@H]1CCC[C@H]1Nc1ccc(CC)cc1 ZINC000474372491 528928096 /nfs/dbraw/zinc/92/80/96/528928096.db2.gz DKBQPXKFPMLEJA-GOEBONIOSA-N 0 0 247.382 3.866 20 0 BHADRN CCOC[C@@H]1CCC[C@@H]1Nc1ccc(CC)cc1 ZINC000474372493 528926976 /nfs/dbraw/zinc/92/69/76/528926976.db2.gz DKBQPXKFPMLEJA-HOCLYGCPSA-N 0 0 247.382 3.866 20 0 BHADRN CCOC[C@H]1CCC[C@@H]1Nc1ccc(CC)cc1 ZINC000474372495 529021587 /nfs/dbraw/zinc/02/15/87/529021587.db2.gz DKBQPXKFPMLEJA-ZBFHGGJFSA-N 0 0 247.382 3.866 20 0 BHADRN CCOC[C@H]1CCC[C@H]1Nc1cccc(CC)c1 ZINC000474375488 529022167 /nfs/dbraw/zinc/02/21/67/529022167.db2.gz IZWODVLAAUDOLO-GDBMZVCRSA-N 0 0 247.382 3.866 20 0 BHADRN 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CCOC[C@H]1CCC[C@@H]1Nc1cc(C)cc(C)c1 ZINC000474377379 529021013 /nfs/dbraw/zinc/02/10/13/529021013.db2.gz QIOVUORGOXWETE-ZBFHGGJFSA-N 0 0 247.382 3.921 20 0 BHADRN CCOC[C@H]1CCC[C@H]1Nc1ccccc1CC ZINC000474377865 529022296 /nfs/dbraw/zinc/02/22/96/529022296.db2.gz RVIDAFVPMITOSB-GDBMZVCRSA-N 0 0 247.382 3.866 20 0 BHADRN CCOC[C@@H]1CCC[C@H]1Nc1ccccc1CC ZINC000474377866 528928389 /nfs/dbraw/zinc/92/83/89/528928389.db2.gz RVIDAFVPMITOSB-GOEBONIOSA-N 0 0 247.382 3.866 20 0 BHADRN CCOC[C@@H]1CCC[C@@H]1Nc1ccccc1CC ZINC000474377868 528926796 /nfs/dbraw/zinc/92/67/96/528926796.db2.gz RVIDAFVPMITOSB-HOCLYGCPSA-N 0 0 247.382 3.866 20 0 BHADRN CCOC[C@H]1CCC[C@@H]1Nc1ccccc1CC ZINC000474377870 529021058 /nfs/dbraw/zinc/02/10/58/529021058.db2.gz RVIDAFVPMITOSB-ZBFHGGJFSA-N 0 0 247.382 3.866 20 0 BHADRN CCOC[C@H]1CCC[C@H]1Nc1ccc(C)cc1C ZINC000474380442 529022164 /nfs/dbraw/zinc/02/21/64/529022164.db2.gz XHYYFNKQEGXPGS-GDBMZVCRSA-N 0 0 247.382 3.921 20 0 BHADRN CCOC[C@@H]1CCC[C@H]1Nc1ccc(C)cc1C 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ZINC000474384268 529282521 /nfs/dbraw/zinc/28/25/21/529282521.db2.gz JNBNIBNNUMLVBV-RDBSUJKOSA-N 0 0 249.398 3.652 20 0 BHADRN CCOC[C@H]1CCC[C@H]1Nc1ccc(C)c(C)c1 ZINC000474386099 529022728 /nfs/dbraw/zinc/02/27/28/529022728.db2.gz BGGOAUVRAWMBAE-GDBMZVCRSA-N 0 0 247.382 3.921 20 0 BHADRN CCOC[C@@H]1CCC[C@H]1Nc1ccc(C)c(C)c1 ZINC000474386100 528928081 /nfs/dbraw/zinc/92/80/81/528928081.db2.gz BGGOAUVRAWMBAE-GOEBONIOSA-N 0 0 247.382 3.921 20 0 BHADRN CCOC[C@@H]1CCC[C@@H]1Nc1ccc(C)c(C)c1 ZINC000474386101 528926758 /nfs/dbraw/zinc/92/67/58/528926758.db2.gz BGGOAUVRAWMBAE-HOCLYGCPSA-N 0 0 247.382 3.921 20 0 BHADRN CCOC[C@H]1CCC[C@@H]1Nc1ccc(C)c(C)c1 ZINC000474386102 529021168 /nfs/dbraw/zinc/02/11/68/529021168.db2.gz BGGOAUVRAWMBAE-ZBFHGGJFSA-N 0 0 247.382 3.921 20 0 BHADRN Cc1ccc(N[C@H](C)C2CCOCC2)cc1C ZINC000474386122 225116066 /nfs/dbraw/zinc/11/60/66/225116066.db2.gz BNLFXMFIRQFNKZ-CYBMUJFWSA-N 0 0 233.355 3.530 20 0 BHADRN Cc1ccc(N[C@@H](C)C2CCOCC2)cc1C ZINC000474386123 225116210 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PGVNZHKNGHGHDL-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCC(CC)C(=O)N1CCCC2(CCCC2)C1 ZINC000474627773 528721146 /nfs/dbraw/zinc/72/11/46/528721146.db2.gz FTHWTLNNJPZHHZ-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN O=C(C1CCCCC1)N1CCCC2(CCCC2)C1 ZINC000474627774 225119880 /nfs/dbraw/zinc/11/98/80/225119880.db2.gz FTINIEYDCOWECC-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN CCC1(C)CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000474628196 529019979 /nfs/dbraw/zinc/01/99/79/529019979.db2.gz SDEUKLNLWVFCOZ-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C)CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000474628197 529019810 /nfs/dbraw/zinc/01/98/10/529019810.db2.gz SDEUKLNLWVFCOZ-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN CCCCCC(=O)N1CCCC2(CCCC2)C1 ZINC000474633112 528102965 /nfs/dbraw/zinc/10/29/65/528102965.db2.gz MDQUOCNSIWLIPU-UHFFFAOYSA-N 0 0 237.387 3.750 20 0 BHADRN CC(C)(C)CC(=O)N1CCCC2(CCCC2)C1 ZINC000474633225 527640098 /nfs/dbraw/zinc/64/00/98/527640098.db2.gz JMEKNXBOTHPWCY-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC1(C(=O)N2CCCC3(CCCC3)C2)CCCC1 ZINC000474634215 528848853 /nfs/dbraw/zinc/84/88/53/528848853.db2.gz VZQMYUJFSFZYES-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN O=C(CC1CCCC1)N1CCCC2(CCCC2)C1 ZINC000474642090 225120211 /nfs/dbraw/zinc/12/02/11/225120211.db2.gz ULSQAEZLUVBZJN-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN Cc1ccc(-c2nc3cc(F)ccc3s2)nc1 ZINC000474652298 225120053 /nfs/dbraw/zinc/12/00/53/225120053.db2.gz ATRMRXMEFOFXIM-UHFFFAOYSA-N 0 0 244.294 3.806 20 0 BHADRN Cc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)nc1 ZINC000474662613 225119719 /nfs/dbraw/zinc/11/97/19/225119719.db2.gz HCFDYCNKMVMMMT-UHFFFAOYSA-N 0 0 237.306 3.550 20 0 BHADRN CC(C)Cc1csc(N2CCCCCC2)n1 ZINC000474667457 528661752 /nfs/dbraw/zinc/66/17/52/528661752.db2.gz JNFMKMUTVPAUAB-UHFFFAOYSA-N 0 0 238.400 3.722 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000474690449 528451804 /nfs/dbraw/zinc/45/18/04/528451804.db2.gz TVQXJDBVSIAAFB-GUTXKFCHSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000474690451 528451539 /nfs/dbraw/zinc/45/15/39/528451539.db2.gz TVQXJDBVSIAAFB-IPYPFGDCSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000474690452 528451809 /nfs/dbraw/zinc/45/18/09/528451809.db2.gz TVQXJDBVSIAAFB-NFAWXSAZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000474690454 528451263 /nfs/dbraw/zinc/45/12/63/528451263.db2.gz TVQXJDBVSIAAFB-YDHLFZDLSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C(C)C ZINC000474694616 386757354 /nfs/dbraw/zinc/75/73/54/386757354.db2.gz HEEVSSRRZCZTTK-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C(C)C ZINC000474694617 386756001 /nfs/dbraw/zinc/75/60/01/386756001.db2.gz HEEVSSRRZCZTTK-MCIONIFRSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N(C)[C@H](C)C(C)C ZINC000474694633 386756579 /nfs/dbraw/zinc/75/65/79/386756579.db2.gz HEEVSSRRZCZTTK-MGPQQGTHSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C(C)C ZINC000474694634 386756285 /nfs/dbraw/zinc/75/62/85/386756285.db2.gz HEEVSSRRZCZTTK-MJBXVCDLSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCc1cccc(C)c1 ZINC000474696273 528449989 /nfs/dbraw/zinc/44/99/89/528449989.db2.gz GKZUVWUKDRKICJ-INIZCTEOSA-N 0 0 247.382 3.828 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCc1cccc(C)c1 ZINC000474696274 527882985 /nfs/dbraw/zinc/88/29/85/527882985.db2.gz GKZUVWUKDRKICJ-MRXNPFEDSA-N 0 0 247.382 3.828 20 0 BHADRN CN(CC1CCCCC1)C(=O)[C@@H]1CC12CCCC2 ZINC000474701384 529864944 /nfs/dbraw/zinc/86/49/44/529864944.db2.gz DYMGWEJBQRPLSZ-AWEZNQCLSA-N 0 0 249.398 3.605 20 0 BHADRN CN(CC1CCCCC1)C(=O)[C@H]1CC12CCCC2 ZINC000474701385 529864981 /nfs/dbraw/zinc/86/49/81/529864981.db2.gz DYMGWEJBQRPLSZ-CQSZACIVSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1ccc(C)cn1 ZINC000474701423 528452765 /nfs/dbraw/zinc/45/27/65/528452765.db2.gz LRNVLTJVBWJEHV-AWEZNQCLSA-N 0 0 234.343 3.545 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1ccc(C)cn1 ZINC000474701425 527883657 /nfs/dbraw/zinc/88/36/57/527883657.db2.gz LRNVLTJVBWJEHV-CQSZACIVSA-N 0 0 234.343 3.545 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCCC1CCCC1 ZINC000474701626 528449612 /nfs/dbraw/zinc/44/96/12/528449612.db2.gz GSTQRFTYFBWWST-HNNXBMFYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCCC1CCCC1 ZINC000474701627 527883176 /nfs/dbraw/zinc/88/31/76/527883176.db2.gz GSTQRFTYFBWWST-OAHLLOKOSA-N 0 0 239.403 3.899 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C)cn1 ZINC000474702172 529285691 /nfs/dbraw/zinc/28/56/91/529285691.db2.gz QDCDCZNUXWVWQV-CHWSQXEVSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C)cn1 ZINC000474702173 529276549 /nfs/dbraw/zinc/27/65/49/529276549.db2.gz QDCDCZNUXWVWQV-OLZOCXBDSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C)cn1 ZINC000474702174 529208663 /nfs/dbraw/zinc/20/86/63/529208663.db2.gz QDCDCZNUXWVWQV-QWHCGFSZSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C)cn1 ZINC000474702175 529203639 /nfs/dbraw/zinc/20/36/39/529203639.db2.gz QDCDCZNUXWVWQV-STQMWFEESA-N 0 0 246.354 3.545 20 0 BHADRN CC(C)N(C)C(=O)CC(C)(C)C1CCCCC1 ZINC000474704244 528795889 /nfs/dbraw/zinc/79/58/89/528795889.db2.gz ILSMKSIRHZGZOL-UHFFFAOYSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)(CF)NC(=O)CCCC1CCCCC1 ZINC000474763436 527064248 /nfs/dbraw/zinc/06/42/48/527064248.db2.gz KTVLRWNOJFUHPP-UHFFFAOYSA-N 0 0 243.366 3.601 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NCC1CCCC1 ZINC000474773948 529203420 /nfs/dbraw/zinc/20/34/20/529203420.db2.gz HWYAPVTZRVVALX-KBPBESRZSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NCC1CCCC1 ZINC000474773949 529275678 /nfs/dbraw/zinc/27/56/78/529275678.db2.gz HWYAPVTZRVVALX-KGLIPLIRSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NCC1CCCC1 ZINC000474773950 529208526 /nfs/dbraw/zinc/20/85/26/529208526.db2.gz HWYAPVTZRVVALX-UONOGXRCSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NCC1CCCC1 ZINC000474773951 529285047 /nfs/dbraw/zinc/28/50/47/529285047.db2.gz HWYAPVTZRVVALX-ZIAGYGMSSA-N 0 0 237.387 3.509 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCC1CCCC1 ZINC000474773967 528449353 /nfs/dbraw/zinc/44/93/53/528449353.db2.gz IAFVTKWIMOBNIY-AWEZNQCLSA-N 0 0 225.376 3.509 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCC1CCCC1 ZINC000474773969 527880723 /nfs/dbraw/zinc/88/07/23/527880723.db2.gz IAFVTKWIMOBNIY-CQSZACIVSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NCCC(C)(C)C ZINC000474780084 529285304 /nfs/dbraw/zinc/28/53/04/529285304.db2.gz JJZNTTRJLBYELA-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NCCC(C)(C)C ZINC000474780085 529275688 /nfs/dbraw/zinc/27/56/88/529275688.db2.gz JJZNTTRJLBYELA-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NCCC(C)(C)C ZINC000474780087 529208600 /nfs/dbraw/zinc/20/86/00/529208600.db2.gz JJZNTTRJLBYELA-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NCCC(C)(C)C ZINC000474780088 529203499 /nfs/dbraw/zinc/20/34/99/529203499.db2.gz JJZNTTRJLBYELA-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCCC(C)(C)C ZINC000474780477 528449117 /nfs/dbraw/zinc/44/91/17/528449117.db2.gz MDVJSPPGHPVDCP-AWEZNQCLSA-N 0 0 227.392 3.755 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCCC(C)(C)C ZINC000474780479 527882026 /nfs/dbraw/zinc/88/20/26/527882026.db2.gz MDVJSPPGHPVDCP-CQSZACIVSA-N 0 0 227.392 3.755 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCC[C@H](CC)C1 ZINC000474780497 527881068 /nfs/dbraw/zinc/88/10/68/527881068.db2.gz MIXAQXHFXJXTMK-DZGCQCFKSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCC[C@@H](CC)C1 ZINC000474780499 528447606 /nfs/dbraw/zinc/44/76/06/528447606.db2.gz MIXAQXHFXJXTMK-HIFRSBDPSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCC[C@@H](CC)C1 ZINC000474780500 527879973 /nfs/dbraw/zinc/87/99/73/527879973.db2.gz MIXAQXHFXJXTMK-UKRRQHHQSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCC[C@H](CC)C1 ZINC000474780501 528447263 /nfs/dbraw/zinc/44/72/63/528447263.db2.gz MIXAQXHFXJXTMK-ZFWWWQNUSA-N 0 0 239.403 3.851 20 0 BHADRN CN(C(=O)CC(C)(C)C1CCCCC1)C1CC1 ZINC000474782220 225121608 /nfs/dbraw/zinc/12/16/08/225121608.db2.gz FQDXVSUZNXSKDJ-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCCCC(C)C ZINC000474788586 528449050 /nfs/dbraw/zinc/44/90/50/528449050.db2.gz ALBYSUDMYXHPEE-AWEZNQCLSA-N 0 0 227.392 3.755 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCCCC(C)C ZINC000474788588 527882935 /nfs/dbraw/zinc/88/29/35/527882935.db2.gz ALBYSUDMYXHPEE-CQSZACIVSA-N 0 0 227.392 3.755 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)N(CC)CC(C)C ZINC000474791018 529202878 /nfs/dbraw/zinc/20/28/78/529202878.db2.gz PKUGCMCJWTTYKP-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N(CC)CC(C)C ZINC000474791019 529274616 /nfs/dbraw/zinc/27/46/16/529274616.db2.gz PKUGCMCJWTTYKP-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)N(CC)CC(C)C ZINC000474791020 529208061 /nfs/dbraw/zinc/20/80/61/529208061.db2.gz PKUGCMCJWTTYKP-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N(CC)CC(C)C ZINC000474791021 529284702 /nfs/dbraw/zinc/28/47/02/529284702.db2.gz PKUGCMCJWTTYKP-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@](C)(CC)C(=O)N(CC)CC(C)C ZINC000474793389 528446092 /nfs/dbraw/zinc/44/60/92/528446092.db2.gz YMRORBQVOPTNNY-AWEZNQCLSA-N 0 0 227.392 3.707 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N(CC)CC(C)C ZINC000474793392 527879447 /nfs/dbraw/zinc/87/94/47/527879447.db2.gz YMRORBQVOPTNNY-CQSZACIVSA-N 0 0 227.392 3.707 20 0 BHADRN CC(C)(C)N(Cc1ccccc1)CC(F)(F)F ZINC000474824529 526280780 /nfs/dbraw/zinc/28/07/80/526280780.db2.gz VHCOVBPJVLWZMP-UHFFFAOYSA-N 0 0 245.288 3.849 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@@H]2CCSC2)c1 ZINC000474845214 528180584 /nfs/dbraw/zinc/18/05/84/528180584.db2.gz JDGHRKFQUWUWDT-GFCCVEGCSA-N 0 0 249.379 3.502 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@H]2CCSC2)c1 ZINC000474845215 528180855 /nfs/dbraw/zinc/18/08/55/528180855.db2.gz 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/nfs/dbraw/zinc/77/19/70/528771970.db2.gz HAUNXKACRKCVAB-RYUDHWBXSA-N 0 0 237.730 3.571 20 0 BHADRN CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000475000400 527887579 /nfs/dbraw/zinc/88/75/79/527887579.db2.gz HAUNXKACRKCVAB-VXGBXAGGSA-N 0 0 237.730 3.571 20 0 BHADRN CC(C)CN(CC(C)(C)C)C(=O)CC1CCC1 ZINC000475001806 527925477 /nfs/dbraw/zinc/92/54/77/527925477.db2.gz NTCNYGSPTZDPNI-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)CN(CC(C)(C)C)C(=O)CCC1CC1 ZINC000475005157 527925003 /nfs/dbraw/zinc/92/50/03/527925003.db2.gz GGWWMRLQFFSGRJ-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN Cc1ccc(C)c(N(CCC[C@H](C)O)C(C)C)c1 ZINC000475026015 533672568 /nfs/dbraw/zinc/67/25/68/533672568.db2.gz KFLOIOXGSOVWEV-HNNXBMFYSA-N 0 0 249.398 3.679 20 0 BHADRN Cc1ccc(C)c(N(CCC[C@@H](C)O)C(C)C)c1 ZINC000475026016 533671495 /nfs/dbraw/zinc/67/14/95/533671495.db2.gz KFLOIOXGSOVWEV-OAHLLOKOSA-N 0 0 249.398 3.679 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1ccccc1O ZINC000475028715 528453120 /nfs/dbraw/zinc/45/31/20/528453120.db2.gz DCJJNQJAGQVVLH-AWEZNQCLSA-N 0 0 235.327 3.547 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1ccccc1O ZINC000475028722 527884530 /nfs/dbraw/zinc/88/45/30/527884530.db2.gz DCJJNQJAGQVVLH-CQSZACIVSA-N 0 0 235.327 3.547 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCC(CC)CC1 ZINC000475029355 528445921 /nfs/dbraw/zinc/44/59/21/528445921.db2.gz DNHYQRKNKXRLNE-HNNXBMFYSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCC(CC)CC1 ZINC000475029356 527879868 /nfs/dbraw/zinc/87/98/68/527879868.db2.gz DNHYQRKNKXRLNE-OAHLLOKOSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@H](O)CCCN(c1ccccc1)C1CCCC1 ZINC000475029493 225125745 /nfs/dbraw/zinc/12/57/45/225125745.db2.gz IVFJIKXEZKTXMQ-AWEZNQCLSA-N 0 0 247.382 3.597 20 0 BHADRN C[C@@H](O)CCCN(c1ccccc1)C1CCCC1 ZINC000475029495 225125306 /nfs/dbraw/zinc/12/53/06/225125306.db2.gz IVFJIKXEZKTXMQ-CQSZACIVSA-N 0 0 247.382 3.597 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1O ZINC000475033056 529276686 /nfs/dbraw/zinc/27/66/86/529276686.db2.gz RNAFUAADDAPEPY-NEPJUHHUSA-N 0 0 247.338 3.547 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1O ZINC000475033058 529208675 /nfs/dbraw/zinc/20/86/75/529208675.db2.gz RNAFUAADDAPEPY-NWDGAFQWSA-N 0 0 247.338 3.547 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1O ZINC000475033060 529203701 /nfs/dbraw/zinc/20/37/01/529203701.db2.gz RNAFUAADDAPEPY-RYUDHWBXSA-N 0 0 247.338 3.547 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1O ZINC000475033062 529285549 /nfs/dbraw/zinc/28/55/49/529285549.db2.gz RNAFUAADDAPEPY-VXGBXAGGSA-N 0 0 247.338 3.547 20 0 BHADRN Cc1cccc(N(C)C[C@@H](C)c2ccccc2)n1 ZINC000475044335 534742370 /nfs/dbraw/zinc/74/23/70/534742370.db2.gz DGPGTVDJZMLSOY-CYBMUJFWSA-N 0 0 240.350 3.630 20 0 BHADRN Cc1cccc(N(C)C[C@H](C)c2ccccc2)n1 ZINC000475044338 534742660 /nfs/dbraw/zinc/74/26/60/534742660.db2.gz DGPGTVDJZMLSOY-ZDUSSCGKSA-N 0 0 240.350 3.630 20 0 BHADRN CN(CCCCOC(C)(C)C)c1ccccc1 ZINC000475044718 529885139 /nfs/dbraw/zinc/88/51/39/529885139.db2.gz BMBMAYLNBUXSBO-UHFFFAOYSA-N 0 0 235.371 3.718 20 0 BHADRN CC(C)(C)OCCCCN1CCc2ccccc21 ZINC000475048637 526552025 /nfs/dbraw/zinc/55/20/25/526552025.db2.gz UXIDGVDKQCHWIM-UHFFFAOYSA-N 0 0 247.382 3.644 20 0 BHADRN CCCC(=O)NC1CCC(CC)(CC)CC1 ZINC000475087029 527920339 /nfs/dbraw/zinc/92/03/39/527920339.db2.gz IHZOMXCKJWCCIF-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN C[C@@H](Nc1cccc(CO)c1)C1CCCCCC1 ZINC000475097038 225126989 /nfs/dbraw/zinc/12/69/89/225126989.db2.gz UULBGRFICRTYSR-CYBMUJFWSA-N 0 0 247.382 3.950 20 0 BHADRN C[C@H](Nc1cccc(CO)c1)C1CCCCCC1 ZINC000475097040 225127855 /nfs/dbraw/zinc/12/78/55/225127855.db2.gz UULBGRFICRTYSR-ZDUSSCGKSA-N 0 0 247.382 3.950 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1Nc1cccc(CO)c1 ZINC000475115926 528875400 /nfs/dbraw/zinc/87/54/00/528875400.db2.gz CTAKCSOPEUEZJH-GDBMZVCRSA-N 0 0 247.382 3.950 20 0 BHADRN CCCC[C@H]1CCC[C@H]1Nc1cccc(CO)c1 ZINC000475115928 529005297 /nfs/dbraw/zinc/00/52/97/529005297.db2.gz CTAKCSOPEUEZJH-GOEBONIOSA-N 0 0 247.382 3.950 20 0 BHADRN CCCC[C@H]1CCC[C@@H]1Nc1cccc(CO)c1 ZINC000475115930 529003285 /nfs/dbraw/zinc/00/32/85/529003285.db2.gz CTAKCSOPEUEZJH-HOCLYGCPSA-N 0 0 247.382 3.950 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1Nc1cccc(CO)c1 ZINC000475115931 528870216 /nfs/dbraw/zinc/87/02/16/528870216.db2.gz CTAKCSOPEUEZJH-ZBFHGGJFSA-N 0 0 247.382 3.950 20 0 BHADRN CCN(C[C@H]1CCO[C@H](C)C1)c1ccccc1C ZINC000475116058 528753222 /nfs/dbraw/zinc/75/32/22/528753222.db2.gz DTCCEUNTLNPECF-CABCVRRESA-N 0 0 247.382 3.636 20 0 BHADRN CCN(C[C@H]1CCO[C@@H](C)C1)c1ccccc1C ZINC000475116059 528751976 /nfs/dbraw/zinc/75/19/76/528751976.db2.gz DTCCEUNTLNPECF-GJZGRUSLSA-N 0 0 247.382 3.636 20 0 BHADRN CCN(C[C@@H]1CCO[C@H](C)C1)c1ccccc1C ZINC000475116062 528682573 /nfs/dbraw/zinc/68/25/73/528682573.db2.gz DTCCEUNTLNPECF-HUUCEWRRSA-N 0 0 247.382 3.636 20 0 BHADRN CCN(C[C@@H]1CCO[C@@H](C)C1)c1ccccc1C ZINC000475116064 528683003 /nfs/dbraw/zinc/68/30/03/528683003.db2.gz DTCCEUNTLNPECF-LSDHHAIUSA-N 0 0 247.382 3.636 20 0 BHADRN C[C@H](CC1CCCC1)Nc1cccc(CO)c1 ZINC000475119892 533773948 /nfs/dbraw/zinc/77/39/48/533773948.db2.gz PZZBSLMVLJPJHA-GFCCVEGCSA-N 0 0 233.355 3.560 20 0 BHADRN C[C@@H](CC1CCCC1)Nc1cccc(CO)c1 ZINC000475119893 533508363 /nfs/dbraw/zinc/50/83/63/533508363.db2.gz PZZBSLMVLJPJHA-LBPRGKRZSA-N 0 0 233.355 3.560 20 0 BHADRN OCc1cccc(N[C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000475124436 225127667 /nfs/dbraw/zinc/12/76/67/225127667.db2.gz IURVSWJRZLBLPW-CVEARBPZSA-N 0 0 245.366 3.560 20 0 BHADRN OCc1cccc(N[C@H]2CCCC[C@H]2C2CC2)c1 ZINC000475124437 225127698 /nfs/dbraw/zinc/12/76/98/225127698.db2.gz IURVSWJRZLBLPW-HOTGVXAUSA-N 0 0 245.366 3.560 20 0 BHADRN OCc1cccc(N[C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000475124438 225128174 /nfs/dbraw/zinc/12/81/74/225128174.db2.gz IURVSWJRZLBLPW-HZPDHXFCSA-N 0 0 245.366 3.560 20 0 BHADRN OCc1cccc(N[C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000475124439 225127490 /nfs/dbraw/zinc/12/74/90/225127490.db2.gz IURVSWJRZLBLPW-JKSUJKDBSA-N 0 0 245.366 3.560 20 0 BHADRN CCC1(C)CCC(Nc2cccc(CO)c2)CC1 ZINC000475126196 529016915 /nfs/dbraw/zinc/01/69/15/529016915.db2.gz BEDIFLYJHNSMBF-UHFFFAOYSA-N 0 0 247.382 3.950 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NC1(C)CCCC1 ZINC000475170077 529285081 /nfs/dbraw/zinc/28/50/81/529285081.db2.gz ALJNGBHZJLCKBP-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NC1(C)CCCC1 ZINC000475170079 529275751 /nfs/dbraw/zinc/27/57/51/529275751.db2.gz ALJNGBHZJLCKBP-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NC1(C)CCCC1 ZINC000475170081 529208483 /nfs/dbraw/zinc/20/84/83/529208483.db2.gz ALJNGBHZJLCKBP-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NC1(C)CCCC1 ZINC000475170082 529202864 /nfs/dbraw/zinc/20/28/64/529202864.db2.gz ALJNGBHZJLCKBP-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H](C)[C@H](C)CC ZINC000475185339 528451550 /nfs/dbraw/zinc/45/15/50/528451550.db2.gz HZVNRGDAEPSUMU-BZPMIXESSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H](C)[C@H](C)CC ZINC000475185340 528451445 /nfs/dbraw/zinc/45/14/45/528451445.db2.gz HZVNRGDAEPSUMU-DYEKYZERSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H](C)[C@@H](C)CC ZINC000475185341 528451406 /nfs/dbraw/zinc/45/14/06/528451406.db2.gz HZVNRGDAEPSUMU-OBJOEFQTSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H](C)[C@@H](C)CC ZINC000475185342 528451501 /nfs/dbraw/zinc/45/15/01/528451501.db2.gz HZVNRGDAEPSUMU-SCRDCRAPSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCCC[C@H]1CC ZINC000475187899 529241502 /nfs/dbraw/zinc/24/15/02/529241502.db2.gz VAIMTYAEGVLMJZ-FQUUOJAGSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1CC ZINC000475187900 529241181 /nfs/dbraw/zinc/24/11/81/529241181.db2.gz VAIMTYAEGVLMJZ-IGQOVBAYSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1CC ZINC000475187901 529241357 /nfs/dbraw/zinc/24/13/57/529241357.db2.gz VAIMTYAEGVLMJZ-XDQVBPFNSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1CC ZINC000475187902 529241704 /nfs/dbraw/zinc/24/17/04/529241704.db2.gz VAIMTYAEGVLMJZ-XUXIUFHCSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](Nc1cccc2ccn(C)c21)C1CCC1 ZINC000475197624 533561698 /nfs/dbraw/zinc/56/16/98/533561698.db2.gz UJPAACFNYPISSC-LLVKDONJSA-N 0 0 228.339 3.779 20 0 BHADRN C[C@H](Nc1cccc2ccn(C)c21)C1CCC1 ZINC000475197626 225128644 /nfs/dbraw/zinc/12/86/44/225128644.db2.gz UJPAACFNYPISSC-NSHDSACASA-N 0 0 228.339 3.779 20 0 BHADRN CC(C)CN(CC(C)(C)C)C(=O)C1=CCCC1 ZINC000475199817 527925294 /nfs/dbraw/zinc/92/52/94/527925294.db2.gz XLSFSCUHNWAGME-UHFFFAOYSA-N 0 0 237.387 3.627 20 0 BHADRN CCc1cccc(N[C@H]2CCOC[C@H]2C)c1CC ZINC000475222068 538772840 /nfs/dbraw/zinc/77/28/40/538772840.db2.gz AGDZMFUXCASWHE-DOMZBBRYSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1cccc(N[C@@H]2CCOC[C@H]2C)c1CC ZINC000475222069 538772746 /nfs/dbraw/zinc/77/27/46/538772746.db2.gz AGDZMFUXCASWHE-IUODEOHRSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1cccc(N[C@@H]2CCOC[C@@H]2C)c1CC ZINC000475222070 538772769 /nfs/dbraw/zinc/77/27/69/538772769.db2.gz AGDZMFUXCASWHE-SWLSCSKDSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1cccc(N[C@H]2CCOC[C@@H]2C)c1CC ZINC000475222071 538772910 /nfs/dbraw/zinc/77/29/10/538772910.db2.gz AGDZMFUXCASWHE-WFASDCNBSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1cccc(N[C@@H](C)[C@@H]2CCOC2)c1CC ZINC000475222562 538772482 /nfs/dbraw/zinc/77/24/82/538772482.db2.gz BEKQEUHKVHWKNP-GXTWGEPZSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1cccc(N[C@@H](C)[C@H]2CCOC2)c1CC ZINC000475222564 538772847 /nfs/dbraw/zinc/77/28/47/538772847.db2.gz BEKQEUHKVHWKNP-JSGCOSHPSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1cccc(N[C@H](C)[C@H]2CCOC2)c1CC ZINC000475222565 538772898 /nfs/dbraw/zinc/77/28/98/538772898.db2.gz BEKQEUHKVHWKNP-OCCSQVGLSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1cccc(N[C@H](C)[C@@H]2CCOC2)c1CC ZINC000475222567 538773049 /nfs/dbraw/zinc/77/30/49/538773049.db2.gz BEKQEUHKVHWKNP-TZMCWYRMSA-N 0 0 247.382 3.648 20 0 BHADRN CC[C@@H](C)n1ncc(N[C@H](C)C2CCC2)c1C ZINC000475226339 529444017 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527803898 /nfs/dbraw/zinc/80/38/98/527803898.db2.gz RZDAXFLZLBBDMZ-CHWSQXEVSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@H](C)CC(C)(C)C ZINC000475304650 527841832 /nfs/dbraw/zinc/84/18/32/527841832.db2.gz RZDAXFLZLBBDMZ-OLZOCXBDSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)[C@@H](C)CC(C)(C)C ZINC000475304651 527803824 /nfs/dbraw/zinc/80/38/24/527803824.db2.gz RZDAXFLZLBBDMZ-QWHCGFSZSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@@H](C)CC(C)(C)C ZINC000475304652 527841487 /nfs/dbraw/zinc/84/14/87/527841487.db2.gz RZDAXFLZLBBDMZ-STQMWFEESA-N 0 0 241.419 4.000 20 0 BHADRN CCCN(CCC)C(=O)[C@H](C)CC(C)(C)C ZINC000475313061 528049907 /nfs/dbraw/zinc/04/99/07/528049907.db2.gz OBOIIRUFERVDSL-GFCCVEGCSA-N 0 0 227.392 3.707 20 0 BHADRN CCCN(CCC)C(=O)[C@@H](C)CC(C)(C)C ZINC000475313062 528050502 /nfs/dbraw/zinc/05/05/02/528050502.db2.gz OBOIIRUFERVDSL-LBPRGKRZSA-N 0 0 227.392 3.707 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)NC1(C)CCCC1 ZINC000475316413 533718700 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/nfs/dbraw/zinc/71/88/32/533718832.db2.gz JEYUQPVYNAHEKZ-CHWSQXEVSA-N 0 0 237.387 3.531 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)NC[C@H]1CC=CCC1 ZINC000475318482 533719997 /nfs/dbraw/zinc/71/99/97/533719997.db2.gz JEYUQPVYNAHEKZ-OLZOCXBDSA-N 0 0 237.387 3.531 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CC=CCC1 ZINC000475318483 533462727 /nfs/dbraw/zinc/46/27/27/533462727.db2.gz JEYUQPVYNAHEKZ-QWHCGFSZSA-N 0 0 237.387 3.531 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)NC[C@H]1CC=CCC1 ZINC000475318484 533463655 /nfs/dbraw/zinc/46/36/55/533463655.db2.gz JEYUQPVYNAHEKZ-STQMWFEESA-N 0 0 237.387 3.531 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](C)CC1 ZINC000475320220 533717305 /nfs/dbraw/zinc/71/73/05/533717305.db2.gz UOBRBHHFFQGIGX-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H](C)CC1 ZINC000475320221 533462336 /nfs/dbraw/zinc/46/23/36/533462336.db2.gz UOBRBHHFFQGIGX-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1CCC[C@H](C)CC1 ZINC000475320222 533716695 /nfs/dbraw/zinc/71/66/95/533716695.db2.gz UOBRBHHFFQGIGX-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H](C)CC1 ZINC000475320223 533461698 /nfs/dbraw/zinc/46/16/98/533461698.db2.gz UOBRBHHFFQGIGX-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@@H]2CCCC2(C)C)c1 ZINC000475320425 225132231 /nfs/dbraw/zinc/13/22/31/225132231.db2.gz QBGSHUVBNCOGAO-AWEZNQCLSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@H]2CCCC2(C)C)c1 ZINC000475320427 225131655 /nfs/dbraw/zinc/13/16/55/225131655.db2.gz QBGSHUVBNCOGAO-CQSZACIVSA-N 0 0 245.366 3.784 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCC[C@H](C)CC1 ZINC000475320806 527881311 /nfs/dbraw/zinc/88/13/11/527881311.db2.gz RJKZBQDCGZAOGM-DZGCQCFKSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCC[C@@H](C)CC1 ZINC000475320808 528447308 /nfs/dbraw/zinc/44/73/08/528447308.db2.gz RJKZBQDCGZAOGM-HIFRSBDPSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCC[C@@H](C)CC1 ZINC000475320810 527879906 /nfs/dbraw/zinc/87/99/06/527879906.db2.gz RJKZBQDCGZAOGM-UKRRQHHQSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCC[C@H](C)CC1 ZINC000475320811 528448098 /nfs/dbraw/zinc/44/80/98/528448098.db2.gz RJKZBQDCGZAOGM-ZFWWWQNUSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)NC1(C)CCCCC1 ZINC000475324656 533719102 /nfs/dbraw/zinc/71/91/02/533719102.db2.gz HBUVFFMTJVVLHP-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)NC1(C)CCCCC1 ZINC000475324657 533463740 /nfs/dbraw/zinc/46/37/40/533463740.db2.gz HBUVFFMTJVVLHP-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)NC1(C)CCCCC1 ZINC000475326751 528961722 /nfs/dbraw/zinc/96/17/22/528961722.db2.gz WMOOASVKGJRIKX-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)NC1(C)CCCCC1 ZINC000475326752 528986093 /nfs/dbraw/zinc/98/60/93/528986093.db2.gz WMOOASVKGJRIKX-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@H](C)CC(C)(C)C ZINC000475329628 528103358 /nfs/dbraw/zinc/10/33/58/528103358.db2.gz ICLQAMSXXXAIMS-NEPJUHHUSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@@H](C)CC(C)(C)C ZINC000475329629 528921067 /nfs/dbraw/zinc/92/10/67/528921067.db2.gz ICLQAMSXXXAIMS-NWDGAFQWSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@@H](C)CC(C)(C)C ZINC000475329630 528102297 /nfs/dbraw/zinc/10/22/97/528102297.db2.gz ICLQAMSXXXAIMS-RYUDHWBXSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@H](C)CC(C)(C)C ZINC000475329631 528922016 /nfs/dbraw/zinc/92/20/16/528922016.db2.gz ICLQAMSXXXAIMS-VXGBXAGGSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)[C@H](C)CC(C)(C)C ZINC000475330010 529205902 /nfs/dbraw/zinc/20/59/02/529205902.db2.gz ITWOCYGPQNHNCG-QJPTWQEYSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)[C@@H](C)CC(C)(C)C ZINC000475330011 529205836 /nfs/dbraw/zinc/20/58/36/529205836.db2.gz ITWOCYGPQNHNCG-SDDRHHMPSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)[C@@H](C)CC(C)(C)C ZINC000475330013 529241033 /nfs/dbraw/zinc/24/10/33/529241033.db2.gz ITWOCYGPQNHNCG-SRVKXCTJSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)[C@H](C)CC(C)(C)C ZINC000475330014 529241480 /nfs/dbraw/zinc/24/14/80/529241480.db2.gz ITWOCYGPQNHNCG-TUAOUCFPSA-N 0 0 227.392 3.610 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@@H]1CCCC1(C)C ZINC000475331999 528921288 /nfs/dbraw/zinc/92/12/88/528921288.db2.gz LZUZATBRBAHYOF-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@H]1CCCC1(C)C ZINC000475332000 528103043 /nfs/dbraw/zinc/10/30/43/528103043.db2.gz LZUZATBRBAHYOF-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@@H]1CCCC1(C)C ZINC000475332002 528103593 /nfs/dbraw/zinc/10/35/93/528103593.db2.gz LZUZATBRBAHYOF-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@H]1CCCC1(C)C ZINC000475332003 528922134 /nfs/dbraw/zinc/92/21/34/528922134.db2.gz LZUZATBRBAHYOF-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N(C)CC1CCCC1 ZINC000475335348 533714757 /nfs/dbraw/zinc/71/47/57/533714757.db2.gz QZISSFXRKFYLTI-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N(C)CC1CCCC1 ZINC000475335349 533461600 /nfs/dbraw/zinc/46/16/00/533461600.db2.gz QZISSFXRKFYLTI-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCCN(CC(F)F)C(=O)[C@@H](C)CC(C)(C)C ZINC000475338804 527934604 /nfs/dbraw/zinc/93/46/04/527934604.db2.gz SQMVFZADGYVJNT-JTQLQIEISA-N 0 0 249.345 3.562 20 0 BHADRN CCCN(CC(F)F)C(=O)[C@H](C)CC(C)(C)C ZINC000475338807 527934771 /nfs/dbraw/zinc/93/47/71/527934771.db2.gz SQMVFZADGYVJNT-SNVBAGLBSA-N 0 0 249.345 3.562 20 0 BHADRN CC(C)CN(C(=O)[C@H](C)CC(C)(C)C)C(C)C ZINC000475339254 527905534 /nfs/dbraw/zinc/90/55/34/527905534.db2.gz WORRZOASIMNWNL-CYBMUJFWSA-N 0 0 241.419 3.952 20 0 BHADRN CC(C)CN(C(=O)[C@@H](C)CC(C)(C)C)C(C)C ZINC000475339255 527904473 /nfs/dbraw/zinc/90/44/73/527904473.db2.gz WORRZOASIMNWNL-ZDUSSCGKSA-N 0 0 241.419 3.952 20 0 BHADRN CC(C)CN(C(=O)[C@H]1CCCC1(C)C)C(C)C ZINC000475339981 527905989 /nfs/dbraw/zinc/90/59/89/527905989.db2.gz ZJRGAGCZUULLGG-CYBMUJFWSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CN(C(=O)[C@@H]1CCCC1(C)C)C(C)C ZINC000475339982 527903719 /nfs/dbraw/zinc/90/37/19/527903719.db2.gz ZJRGAGCZUULLGG-ZDUSSCGKSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)[C@H]1C[C@H]1C(=O)NCCCCC(C)(C)C ZINC000475341658 527885193 /nfs/dbraw/zinc/88/51/93/527885193.db2.gz DFNFKVKTLLTPAU-CHWSQXEVSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@H]1C[C@@H]1C(=O)NCCCCC(C)(C)C ZINC000475341659 527875616 /nfs/dbraw/zinc/87/56/16/527875616.db2.gz DFNFKVKTLLTPAU-OLZOCXBDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)NCCCCC(C)(C)C ZINC000475341660 528790233 /nfs/dbraw/zinc/79/02/33/528790233.db2.gz DFNFKVKTLLTPAU-QWHCGFSZSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1C(=O)NCCCCC(C)(C)C ZINC000475341661 528770529 /nfs/dbraw/zinc/77/05/29/528770529.db2.gz DFNFKVKTLLTPAU-STQMWFEESA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1CCC(C)(C)CC1 ZINC000475341670 533717200 /nfs/dbraw/zinc/71/72/00/533717200.db2.gz DKOMZIGNWCJZIC-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1CCC(C)(C)CC1 ZINC000475341671 533462390 /nfs/dbraw/zinc/46/23/90/533462390.db2.gz DKOMZIGNWCJZIC-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC(C)(C)NC(=O)[C@H](C)CC(C)(C)C ZINC000475343807 527989270 /nfs/dbraw/zinc/98/92/70/527989270.db2.gz ANZKAZUJRSJUIH-LLVKDONJSA-N 0 0 227.392 3.754 20 0 BHADRN CCCC(C)(C)NC(=O)[C@@H](C)CC(C)(C)C ZINC000475343808 527989296 /nfs/dbraw/zinc/98/92/96/527989296.db2.gz ANZKAZUJRSJUIH-NSHDSACASA-N 0 0 227.392 3.754 20 0 BHADRN CCCC(C)(C)NC(=O)[C@H]1CCCC1(C)C ZINC000475350185 527989485 /nfs/dbraw/zinc/98/94/85/527989485.db2.gz XMNOEMJHLKLOGL-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(C)(C)NC(=O)[C@@H]1CCCC1(C)C ZINC000475350188 527990100 /nfs/dbraw/zinc/99/01/00/527990100.db2.gz XMNOEMJHLKLOGL-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CN(CC1(C)CCC1)c1ccc2cc[nH]c2c1 ZINC000475354390 541486089 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/nfs/dbraw/zinc/74/19/06/528741906.db2.gz CHQSEXCAAVUNNE-ZIAGYGMSSA-N 0 0 239.403 3.563 20 0 BHADRN CN(C(=O)[C@H]1CCCC1(C)C)c1ccc(F)cc1 ZINC000475370651 225134442 /nfs/dbraw/zinc/13/44/42/225134442.db2.gz PFWVUUVEKHKPCU-CYBMUJFWSA-N 0 0 249.329 3.615 20 0 BHADRN CN(C(=O)[C@@H]1CCCC1(C)C)c1ccc(F)cc1 ZINC000475370652 225134883 /nfs/dbraw/zinc/13/48/83/225134883.db2.gz PFWVUUVEKHKPCU-ZDUSSCGKSA-N 0 0 249.329 3.615 20 0 BHADRN CCC1CCN(C(=O)[C@H](C)CC(C)(C)C)CC1 ZINC000475384235 527867902 /nfs/dbraw/zinc/86/79/02/527867902.db2.gz RSYNPMMNLRIKRV-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN CCC1CCN(C(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC000475384236 527866500 /nfs/dbraw/zinc/86/65/00/527866500.db2.gz RSYNPMMNLRIKRV-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)c1 ZINC000475385299 225134700 /nfs/dbraw/zinc/13/47/00/225134700.db2.gz FFSVMHJCFFRPAN-CABCVRRESA-N 0 0 245.366 3.558 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)[C@H]2C[C@H]2C(C)C)c1 ZINC000475385300 225135118 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BHADRN CCC[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000475778276 527884643 /nfs/dbraw/zinc/88/46/43/527884643.db2.gz ZYSMNBQZNYSROY-UMVBOHGHSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000475778277 528452899 /nfs/dbraw/zinc/45/28/99/528452899.db2.gz ZYSMNBQZNYSROY-YDHLFZDLSA-N 0 0 239.403 3.898 20 0 BHADRN CCC1(CC)CCC(NC(=O)C(C)(C)C)CC1 ZINC000475787395 529035448 /nfs/dbraw/zinc/03/54/48/529035448.db2.gz GATYEXPSIHASTI-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)C(=O)NC1CCC(CC)(CC)CC1 ZINC000475792501 529303095 /nfs/dbraw/zinc/30/30/95/529303095.db2.gz PXQUNYAYHXZFRN-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)C(=O)NC1CCC(CC)(CC)CC1 ZINC000475792502 529636224 /nfs/dbraw/zinc/63/62/24/529636224.db2.gz PXQUNYAYHXZFRN-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCN(CC)C(=O)CSC(CC)CC ZINC000475793746 528386986 /nfs/dbraw/zinc/38/69/86/528386986.db2.gz TTYDLFSWCFOHEL-UHFFFAOYSA-N 0 0 245.432 3.557 20 0 BHADRN CCCN(CCC)C(=O)CSC(CC)CC ZINC000475793865 528045236 /nfs/dbraw/zinc/04/52/36/528045236.db2.gz UTOAMAHSQBPDAR-UHFFFAOYSA-N 0 0 245.432 3.557 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N1CCCC[C@@H](C)C1 ZINC000475832345 528809727 /nfs/dbraw/zinc/80/97/27/528809727.db2.gz ANNMFEJUWKOPJO-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1CCCC[C@@H](C)C1 ZINC000475832348 528844434 /nfs/dbraw/zinc/84/44/34/528844434.db2.gz ANNMFEJUWKOPJO-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N1CCCC[C@H](C)C1 ZINC000475832349 528810148 /nfs/dbraw/zinc/81/01/48/528810148.db2.gz ANNMFEJUWKOPJO-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1CCCC[C@H](C)C1 ZINC000475832353 528844661 /nfs/dbraw/zinc/84/46/61/528844661.db2.gz ANNMFEJUWKOPJO-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN Cc1cc(NC(=O)C(C)(C)C)ccc1C1CC1 ZINC000475834632 225142071 /nfs/dbraw/zinc/14/20/71/225142071.db2.gz FITWCHPIHXNQQK-UHFFFAOYSA-N 0 0 231.339 3.857 20 0 BHADRN C[C@H](CC(=O)N1CCCC[C@@H](C)C1)C(C)(C)C ZINC000475851184 533627836 /nfs/dbraw/zinc/62/78/36/533627836.db2.gz LXCYIZIMAVGCMF-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(=O)N1CCCC[C@@H](C)C1)C(C)(C)C ZINC000475851186 533411922 /nfs/dbraw/zinc/41/19/22/533411922.db2.gz LXCYIZIMAVGCMF-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H](CC(=O)N1CCCC[C@H](C)C1)C(C)(C)C ZINC000475851188 533626660 /nfs/dbraw/zinc/62/66/60/533626660.db2.gz LXCYIZIMAVGCMF-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(=O)N1CCCC[C@H](C)C1)C(C)(C)C ZINC000475851699 533412073 /nfs/dbraw/zinc/41/20/73/533412073.db2.gz LXCYIZIMAVGCMF-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1CCCC[C@@H](C)C1 ZINC000475852441 533717039 /nfs/dbraw/zinc/71/70/39/533717039.db2.gz OHASOEVTYKGPEQ-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1CCCC[C@@H](C)C1 ZINC000475852442 533462149 /nfs/dbraw/zinc/46/21/49/533462149.db2.gz OHASOEVTYKGPEQ-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1CCCC[C@H](C)C1 ZINC000475852443 533716974 /nfs/dbraw/zinc/71/69/74/533716974.db2.gz OHASOEVTYKGPEQ-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1CCCC[C@H](C)C1 ZINC000475852444 533462578 /nfs/dbraw/zinc/46/25/78/533462578.db2.gz OHASOEVTYKGPEQ-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@H](CC)C(=O)N1CCCC[C@H](C)C1 ZINC000475853580 528899163 /nfs/dbraw/zinc/89/91/63/528899163.db2.gz VLEAZPKBXJRCCP-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@H](CC)C(=O)N1CCCC[C@@H](C)C1 ZINC000475853581 528898895 /nfs/dbraw/zinc/89/88/95/528898895.db2.gz VLEAZPKBXJRCCP-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1CCCC[C@H](C)C1 ZINC000475853584 528767386 /nfs/dbraw/zinc/76/73/86/528767386.db2.gz VLEAZPKBXJRCCP-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1CCCC[C@@H](C)C1 ZINC000475853585 528767309 /nfs/dbraw/zinc/76/73/09/528767309.db2.gz VLEAZPKBXJRCCP-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC(CCC)C(=O)N1CCCC[C@@H](C)C1 ZINC000475855823 527992689 /nfs/dbraw/zinc/99/26/89/527992689.db2.gz XPMVQWJSVRNXND-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC(CCC)C(=O)N1CCCC[C@H](C)C1 ZINC000475855825 527992571 /nfs/dbraw/zinc/99/25/71/527992571.db2.gz XPMVQWJSVRNXND-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@H]1CCCCN(C(=O)[C@@H]2CC23CCCCC3)C1 ZINC000475862474 225141237 /nfs/dbraw/zinc/14/12/37/225141237.db2.gz IJHWXDROBDYDQW-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CCCCN(C(=O)[C@@H]2CC23CCCCC3)C1 ZINC000475862475 225141637 /nfs/dbraw/zinc/14/16/37/225141637.db2.gz IJHWXDROBDYDQW-KGLIPLIRSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H]1CCCCN(C(=O)[C@H]2CC23CCCCC3)C1 ZINC000475862476 225141623 /nfs/dbraw/zinc/14/16/23/225141623.db2.gz IJHWXDROBDYDQW-UONOGXRCSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CCCCN(C(=O)[C@H]2CC23CCCCC3)C1 ZINC000475862477 225141936 /nfs/dbraw/zinc/14/19/36/225141936.db2.gz IJHWXDROBDYDQW-ZIAGYGMSSA-N 0 0 249.398 3.605 20 0 BHADRN 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ZINC000475874233 533597820 /nfs/dbraw/zinc/59/78/20/533597820.db2.gz CRBRSMLZEBHLSQ-QWHCGFSZSA-N 0 0 238.396 3.684 20 0 BHADRN C[C@@H](CSCCC[C@H](C)O)c1ccccc1 ZINC000475874234 534192513 /nfs/dbraw/zinc/19/25/13/534192513.db2.gz CRBRSMLZEBHLSQ-STQMWFEESA-N 0 0 238.396 3.684 20 0 BHADRN C[C@H](CSCCC(C)(C)O)c1ccccc1 ZINC000475881775 534136593 /nfs/dbraw/zinc/13/65/93/534136593.db2.gz PKYIHRVSPYUEMZ-GFCCVEGCSA-N 0 0 238.396 3.684 20 0 BHADRN C[C@@H](CSCCC(C)(C)O)c1ccccc1 ZINC000475881776 534190487 /nfs/dbraw/zinc/19/04/87/534190487.db2.gz PKYIHRVSPYUEMZ-LBPRGKRZSA-N 0 0 238.396 3.684 20 0 BHADRN C[C@H](CSCC1(C)COC1)c1ccccc1 ZINC000475882474 534137077 /nfs/dbraw/zinc/13/70/77/534137077.db2.gz QTZPBPIURVCKLU-GFCCVEGCSA-N 0 0 236.380 3.560 20 0 BHADRN C[C@@H](CSCC1(C)COC1)c1ccccc1 ZINC000475882475 534191212 /nfs/dbraw/zinc/19/12/12/534191212.db2.gz QTZPBPIURVCKLU-LBPRGKRZSA-N 0 0 236.380 3.560 20 0 BHADRN CC(C)C(C)(C)C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000475886065 527558117 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ZINC000476048465 528881240 /nfs/dbraw/zinc/88/12/40/528881240.db2.gz HBQLWZBKTARCSP-GDBMZVCRSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)[C@@]1(C)C[C@H]1C(=O)NCCC1=CCCCC1 ZINC000476048466 528885746 /nfs/dbraw/zinc/88/57/46/528885746.db2.gz HBQLWZBKTARCSP-GOEBONIOSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)[C@]1(C)C[C@H]1C(=O)NCCC1=CCCCC1 ZINC000476048468 527979269 /nfs/dbraw/zinc/97/92/69/527979269.db2.gz HBQLWZBKTARCSP-HOCLYGCPSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)[C@]1(C)C[C@@H]1C(=O)NCCC1=CCCCC1 ZINC000476048470 527971367 /nfs/dbraw/zinc/97/13/67/527971367.db2.gz HBQLWZBKTARCSP-ZBFHGGJFSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)[C@@]1(C)C[C@H]1C(=O)NC1CCCCCC1 ZINC000476051051 528885966 /nfs/dbraw/zinc/88/59/66/528885966.db2.gz LXYHSHJWDZTXLY-DZGCQCFKSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@]1(C)C[C@@H]1C(=O)NC1CCCCCC1 ZINC000476051052 527969545 /nfs/dbraw/zinc/96/95/45/527969545.db2.gz LXYHSHJWDZTXLY-HIFRSBDPSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1CCCCCC1 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/nfs/dbraw/zinc/84/46/71/528844671.db2.gz MDIGNZKIEJYPPO-DYEKYZERSA-N 0 0 239.403 3.706 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1CC[C@@H](C)[C@H]1CC ZINC000476079924 528844523 /nfs/dbraw/zinc/84/45/23/528844523.db2.gz MDIGNZKIEJYPPO-MBNYWOFBSA-N 0 0 239.403 3.706 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1CC[C@H](C)[C@@H]1CC ZINC000476079925 528844446 /nfs/dbraw/zinc/84/44/46/528844446.db2.gz MDIGNZKIEJYPPO-OBJOEFQTSA-N 0 0 239.403 3.706 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1CC[C@H](C)[C@H]1CC ZINC000476079926 528845178 /nfs/dbraw/zinc/84/51/78/528845178.db2.gz MDIGNZKIEJYPPO-SGMGOOAPSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)C[C@H](C)C(C)(C)C ZINC000476081069 529482190 /nfs/dbraw/zinc/48/21/90/529482190.db2.gz RLTVYQLOOGRUTP-FRRDWIJNSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)C[C@@H](C)C(C)(C)C ZINC000476081070 529482358 /nfs/dbraw/zinc/48/23/58/529482358.db2.gz RLTVYQLOOGRUTP-JHJVBQTASA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)C[C@H](C)C(C)(C)C ZINC000476081072 529475772 /nfs/dbraw/zinc/47/57/72/529475772.db2.gz RLTVYQLOOGRUTP-RWMBFGLXSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)C[C@@H](C)C(C)(C)C ZINC000476081073 529475764 /nfs/dbraw/zinc/47/57/64/529475764.db2.gz RLTVYQLOOGRUTP-YNEHKIRRSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H](C)CC(C)(C)C ZINC000476082000 529483013 /nfs/dbraw/zinc/48/30/13/529483013.db2.gz XSPLMHHOZPGOQS-FRRDWIJNSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H](C)CC(C)(C)C ZINC000476082001 529483096 /nfs/dbraw/zinc/48/30/96/529483096.db2.gz XSPLMHHOZPGOQS-JHJVBQTASA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H](C)CC(C)(C)C ZINC000476082002 529477075 /nfs/dbraw/zinc/47/70/75/529477075.db2.gz XSPLMHHOZPGOQS-RWMBFGLXSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H](C)CC(C)(C)C ZINC000476082003 529477197 /nfs/dbraw/zinc/47/71/97/529477197.db2.gz XSPLMHHOZPGOQS-YNEHKIRRSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H]1CC12CCCCC2 ZINC000476083830 529477299 /nfs/dbraw/zinc/47/72/99/529477299.db2.gz FCAPTKXUEDXVFC-BFHYXJOUSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1CC12CCCCC2 ZINC000476083832 529482888 /nfs/dbraw/zinc/48/28/88/529482888.db2.gz FCAPTKXUEDXVFC-HZSPNIEDSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1CC12CCCCC2 ZINC000476083834 529476889 /nfs/dbraw/zinc/47/68/89/529476889.db2.gz FCAPTKXUEDXVFC-MELADBBJSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1CC12CCCCC2 ZINC000476083836 529482922 /nfs/dbraw/zinc/48/29/22/529482922.db2.gz FCAPTKXUEDXVFC-MGPQQGTHSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)N(CC)C1CCC1 ZINC000476084746 529208366 /nfs/dbraw/zinc/20/83/66/529208366.db2.gz ITMHTYWVRWRVBH-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)N(CC)C1CCC1 ZINC000476084747 529203094 /nfs/dbraw/zinc/20/30/94/529203094.db2.gz ITMHTYWVRWRVBH-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N(CC)C1CCC1 ZINC000476084748 529274604 /nfs/dbraw/zinc/27/46/04/529274604.db2.gz ITMHTYWVRWRVBH-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N(CC)C1CCC1 ZINC000476084749 529284754 /nfs/dbraw/zinc/28/47/54/529284754.db2.gz ITMHTYWVRWRVBH-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N(C)C(C)(C)CC ZINC000476092117 529284809 /nfs/dbraw/zinc/28/48/09/529284809.db2.gz RCRKUNSLCRRSPS-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N(C)C(C)(C)CC ZINC000476092118 529274634 /nfs/dbraw/zinc/27/46/34/529274634.db2.gz RCRKUNSLCRRSPS-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)N(C)C(C)(C)CC ZINC000476092120 529208381 /nfs/dbraw/zinc/20/83/81/529208381.db2.gz RCRKUNSLCRRSPS-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)N(C)C(C)(C)CC ZINC000476092122 529202999 /nfs/dbraw/zinc/20/29/99/529202999.db2.gz RCRKUNSLCRRSPS-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NC[C@H](C)C(C)C ZINC000476094614 527882772 /nfs/dbraw/zinc/88/27/72/527882772.db2.gz CKQKRKGFTJCUDU-GXTWGEPZSA-N 0 0 227.392 3.611 20 0 BHADRN CCC[C@](C)(CC)C(=O)NC[C@H](C)C(C)C ZINC000476094615 528450675 /nfs/dbraw/zinc/45/06/75/528450675.db2.gz CKQKRKGFTJCUDU-JSGCOSHPSA-N 0 0 227.392 3.611 20 0 BHADRN CCC[C@](C)(CC)C(=O)NC[C@@H](C)C(C)C ZINC000476094617 528450120 /nfs/dbraw/zinc/45/01/20/528450120.db2.gz CKQKRKGFTJCUDU-OCCSQVGLSA-N 0 0 227.392 3.611 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NC[C@@H](C)C(C)C ZINC000476094619 527882927 /nfs/dbraw/zinc/88/29/27/527882927.db2.gz CKQKRKGFTJCUDU-TZMCWYRMSA-N 0 0 227.392 3.611 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NC[C@H](C)C(C)C ZINC000476095377 529285695 /nfs/dbraw/zinc/28/56/95/529285695.db2.gz GRLIVVLSCBFVKK-BFHYXJOUSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H](C)C(C)C ZINC000476095378 529276180 /nfs/dbraw/zinc/27/61/80/529276180.db2.gz GRLIVVLSCBFVKK-MCIONIFRSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NC[C@@H](C)C(C)C ZINC000476095379 529285166 /nfs/dbraw/zinc/28/51/66/529285166.db2.gz GRLIVVLSCBFVKK-MGPQQGTHSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](C)C(C)C ZINC000476095380 529275958 /nfs/dbraw/zinc/27/59/58/529275958.db2.gz GRLIVVLSCBFVKK-MJBXVCDLSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)Nc1cncc(C)c1 ZINC000476221778 529208461 /nfs/dbraw/zinc/20/84/61/529208461.db2.gz HQCZJTALGOMTLK-GXTWGEPZSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)Nc1cncc(C)c1 ZINC000476221779 529203461 /nfs/dbraw/zinc/20/34/61/529203461.db2.gz HQCZJTALGOMTLK-JSGCOSHPSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cncc(C)c1 ZINC000476221780 529276426 /nfs/dbraw/zinc/27/64/26/529276426.db2.gz HQCZJTALGOMTLK-OCCSQVGLSA-N 0 0 246.354 3.545 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)Nc1cncc(C)c1 ZINC000476221781 529286068 /nfs/dbraw/zinc/28/60/68/529286068.db2.gz HQCZJTALGOMTLK-TZMCWYRMSA-N 0 0 246.354 3.545 20 0 BHADRN 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ZINC000476243922 527881603 /nfs/dbraw/zinc/88/16/03/527881603.db2.gz AYCOSQQTJROEAU-CYBMUJFWSA-N 0 0 225.376 3.509 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCC1(CC)CC1 ZINC000476243923 528448775 /nfs/dbraw/zinc/44/87/75/528448775.db2.gz AYCOSQQTJROEAU-ZDUSSCGKSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NC1(CC)CCC1 ZINC000476245355 529285287 /nfs/dbraw/zinc/28/52/87/529285287.db2.gz LGTPBVZPZQTYTI-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NC1(CC)CCC1 ZINC000476245356 529275731 /nfs/dbraw/zinc/27/57/31/529275731.db2.gz LGTPBVZPZQTYTI-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NC1(CC)CCC1 ZINC000476245357 529208477 /nfs/dbraw/zinc/20/84/77/529208477.db2.gz LGTPBVZPZQTYTI-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NC1(CC)CCC1 ZINC000476245358 529203118 /nfs/dbraw/zinc/20/31/18/529203118.db2.gz LGTPBVZPZQTYTI-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NCC1(CC)CC1 ZINC000476251684 529285079 /nfs/dbraw/zinc/28/50/79/529285079.db2.gz POJBLXKECSRDIG-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NCC1(CC)CC1 ZINC000476251686 529275533 /nfs/dbraw/zinc/27/55/33/529275533.db2.gz POJBLXKECSRDIG-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NCC1(CC)CC1 ZINC000476251688 529208587 /nfs/dbraw/zinc/20/85/87/529208587.db2.gz POJBLXKECSRDIG-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NCC1(CC)CC1 ZINC000476251689 529203588 /nfs/dbraw/zinc/20/35/88/529203588.db2.gz POJBLXKECSRDIG-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CN(C[C@H]1CC=CCC1)C(=O)[C@@H]1CCCC1(C)C ZINC000476253091 529962646 /nfs/dbraw/zinc/96/26/46/529962646.db2.gz CQJKSHFXFUBCJA-KBPBESRZSA-N 0 0 249.398 3.627 20 0 BHADRN CN(C[C@@H]1CC=CCC1)C(=O)[C@@H]1CCCC1(C)C ZINC000476253094 529944973 /nfs/dbraw/zinc/94/49/73/529944973.db2.gz CQJKSHFXFUBCJA-KGLIPLIRSA-N 0 0 249.398 3.627 20 0 BHADRN CN(C[C@H]1CC=CCC1)C(=O)[C@H]1CCCC1(C)C ZINC000476253096 529962565 /nfs/dbraw/zinc/96/25/65/529962565.db2.gz CQJKSHFXFUBCJA-UONOGXRCSA-N 0 0 249.398 3.627 20 0 BHADRN CN(C[C@@H]1CC=CCC1)C(=O)[C@H]1CCCC1(C)C ZINC000476253101 529944940 /nfs/dbraw/zinc/94/49/40/529944940.db2.gz CQJKSHFXFUBCJA-ZIAGYGMSSA-N 0 0 249.398 3.627 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CC12CCCCC2 ZINC000476257858 528962769 /nfs/dbraw/zinc/96/27/69/528962769.db2.gz WDFCHTJJVAFATO-CHWSQXEVSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)N[C@H]1CC12CCCCC2 ZINC000476257860 528962861 /nfs/dbraw/zinc/96/28/61/528962861.db2.gz WDFCHTJJVAFATO-OLZOCXBDSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)N[C@@H]1CC12CCCCC2 ZINC000476257862 528987408 /nfs/dbraw/zinc/98/74/08/528987408.db2.gz WDFCHTJJVAFATO-QWHCGFSZSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)N[C@H]1CC12CCCCC2 ZINC000476257864 528987764 /nfs/dbraw/zinc/98/77/64/528987764.db2.gz WDFCHTJJVAFATO-STQMWFEESA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N[C@@H](C)CCC1CC1 ZINC000476269714 533719925 /nfs/dbraw/zinc/71/99/25/533719925.db2.gz ASWIXBMLCHWAJY-NEPJUHHUSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)[C@@H](C)CC(C)(C)C ZINC000476269715 533823359 /nfs/dbraw/zinc/82/33/59/533823359.db2.gz ASWIXBMLCHWAJY-NWDGAFQWSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](CCC1CC1)NC(=O)[C@@H](C)CC(C)(C)C ZINC000476269716 225147344 /nfs/dbraw/zinc/14/73/44/225147344.db2.gz ASWIXBMLCHWAJY-RYUDHWBXSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)[C@H](C)CC(C)(C)C ZINC000476269717 533823119 /nfs/dbraw/zinc/82/31/19/533823119.db2.gz ASWIXBMLCHWAJY-VXGBXAGGSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCC1(CC)CCC1 ZINC000476271201 528449581 /nfs/dbraw/zinc/44/95/81/528449581.db2.gz AVEOSSSEXVVSDT-AWEZNQCLSA-N 0 0 239.403 3.899 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCC1(CC)CCC1 ZINC000476271203 527880877 /nfs/dbraw/zinc/88/08/77/527880877.db2.gz AVEOSSSEXVVSDT-CQSZACIVSA-N 0 0 239.403 3.899 20 0 BHADRN CC(C)C[C@H](C)NC(=O)[C@H](C)CC(C)(C)C ZINC000476271896 528474473 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0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 ZINC000476396801 225148743 /nfs/dbraw/zinc/14/87/43/225148743.db2.gz KEFQIGASPYMAKP-DZGCQCFKSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 ZINC000476396802 225148420 /nfs/dbraw/zinc/14/84/20/225148420.db2.gz KEFQIGASPYMAKP-HIFRSBDPSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)cc1 ZINC000476396803 225148944 /nfs/dbraw/zinc/14/89/44/225148944.db2.gz KEFQIGASPYMAKP-UKRRQHHQSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 ZINC000476396804 225149299 /nfs/dbraw/zinc/14/92/99/225149299.db2.gz KEFQIGASPYMAKP-ZFWWWQNUSA-N 0 0 231.339 3.616 20 0 BHADRN C[C@@H]1CCC[C@H](C)N1C(=O)C1=CCCCCC1 ZINC000476396869 533825114 /nfs/dbraw/zinc/82/51/14/533825114.db2.gz NOFPGFHUSZITOK-BETUJISGSA-N 0 0 235.371 3.666 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N1C(=O)C1=CCCCCC1 ZINC000476396870 533732263 /nfs/dbraw/zinc/73/22/63/533732263.db2.gz NOFPGFHUSZITOK-CHWSQXEVSA-N 0 0 235.371 3.666 20 0 BHADRN C[C@H]1CCC[C@H](C)N1C(=O)C1=CCCCCC1 ZINC000476396872 225148299 /nfs/dbraw/zinc/14/82/99/225148299.db2.gz NOFPGFHUSZITOK-STQMWFEESA-N 0 0 235.371 3.666 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000476409018 225148714 /nfs/dbraw/zinc/14/87/14/225148714.db2.gz AUDIOSCSVLTDEF-ABAIWWIYSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@H]2C[C@]2(C)C(C)C)c1 ZINC000476409019 225148960 /nfs/dbraw/zinc/14/89/60/225148960.db2.gz AUDIOSCSVLTDEF-IAQYHMDHSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC000476409020 225148431 /nfs/dbraw/zinc/14/84/31/225148431.db2.gz AUDIOSCSVLTDEF-NHYWBVRUSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1 ZINC000476409021 225149091 /nfs/dbraw/zinc/14/90/91/225149091.db2.gz AUDIOSCSVLTDEF-XHDPSFHLSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(C)c1 ZINC000476422153 225150447 /nfs/dbraw/zinc/15/04/47/225150447.db2.gz FTTKEYSKKIKJHW-BBRMVZONSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(C)c1 ZINC000476422154 225150327 /nfs/dbraw/zinc/15/03/27/225150327.db2.gz FTTKEYSKKIKJHW-CJNGLKHVSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c(C)c1 ZINC000476422155 225150618 /nfs/dbraw/zinc/15/06/18/225150618.db2.gz FTTKEYSKKIKJHW-CZUORRHYSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c(C)c1 ZINC000476422156 225150239 /nfs/dbraw/zinc/15/02/39/225150239.db2.gz FTTKEYSKKIKJHW-XJKSGUPXSA-N 0 0 245.366 3.924 20 0 BHADRN CCCC[C@@H](CC)CC(=O)Nc1ccc(O)cc1 ZINC000476424108 528773216 /nfs/dbraw/zinc/77/32/16/528773216.db2.gz QMJIDBYVZLLOPE-GFCCVEGCSA-N 0 0 249.354 3.937 20 0 BHADRN CCCC[C@H](CC)CC(=O)Nc1ccc(O)cc1 ZINC000476424109 528905543 /nfs/dbraw/zinc/90/55/43/528905543.db2.gz QMJIDBYVZLLOPE-LBPRGKRZSA-N 0 0 249.354 3.937 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000476424250 527843657 /nfs/dbraw/zinc/84/36/57/527843657.db2.gz NTENDGOGCMGSJS-GUTXKFCHSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000476424251 527843293 /nfs/dbraw/zinc/84/32/93/527843293.db2.gz NTENDGOGCMGSJS-GZBFAFLISA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000476424252 527842079 /nfs/dbraw/zinc/84/20/79/527842079.db2.gz NTENDGOGCMGSJS-KCQAQPDRSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000476424253 527841803 /nfs/dbraw/zinc/84/18/03/527841803.db2.gz NTENDGOGCMGSJS-YDHLFZDLSA-N 0 0 239.403 3.610 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1 ZINC000476424359 225149599 /nfs/dbraw/zinc/14/95/99/225149599.db2.gz FQDOPKSVRIAXPM-DZGCQCFKSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000476424360 225150147 /nfs/dbraw/zinc/15/01/47/225150147.db2.gz FQDOPKSVRIAXPM-HIFRSBDPSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c1 ZINC000476424361 225149814 /nfs/dbraw/zinc/14/98/14/225149814.db2.gz FQDOPKSVRIAXPM-UKRRQHHQSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC000476424362 225150219 /nfs/dbraw/zinc/15/02/19/225150219.db2.gz FQDOPKSVRIAXPM-ZFWWWQNUSA-N 0 0 231.339 3.616 20 0 BHADRN CN(C(=O)C1=CCCCCC1)c1ccccc1 ZINC000476424631 225150305 /nfs/dbraw/zinc/15/03/05/225150305.db2.gz RMOLIKDKFKQVHV-UHFFFAOYSA-N 0 0 229.323 3.540 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC000476428486 533683131 /nfs/dbraw/zinc/68/31/31/533683131.db2.gz ZMPPPVVPMYTEJD-BBRMVZONSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000476428487 533683225 /nfs/dbraw/zinc/68/32/25/533683225.db2.gz ZMPPPVVPMYTEJD-CJNGLKHVSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@H]2C[C@]2(C)C(C)C)c1 ZINC000476428488 533683906 /nfs/dbraw/zinc/68/39/06/533683906.db2.gz ZMPPPVVPMYTEJD-CZUORRHYSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1 ZINC000476428489 533682705 /nfs/dbraw/zinc/68/27/05/533682705.db2.gz ZMPPPVVPMYTEJD-XJKSGUPXSA-N 0 0 245.366 3.924 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1ccc(O)c(C)c1 ZINC000476432672 528453210 /nfs/dbraw/zinc/45/32/10/528453210.db2.gz GDSJJEVDDVPSEQ-HNNXBMFYSA-N 0 0 249.354 3.856 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1ccc(O)c(C)c1 ZINC000476432674 527884129 /nfs/dbraw/zinc/88/41/29/527884129.db2.gz GDSJJEVDDVPSEQ-OAHLLOKOSA-N 0 0 249.354 3.856 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1C ZINC000476441344 225150541 /nfs/dbraw/zinc/15/05/41/225150541.db2.gz XVWDDCCDKXQGPC-BBRMVZONSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1C ZINC000476441345 225149872 /nfs/dbraw/zinc/14/98/72/225149872.db2.gz XVWDDCCDKXQGPC-CJNGLKHVSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c1C ZINC000476441346 225149798 /nfs/dbraw/zinc/14/97/98/225149798.db2.gz XVWDDCCDKXQGPC-CZUORRHYSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1C ZINC000476441347 225150661 /nfs/dbraw/zinc/15/06/61/225150661.db2.gz XVWDDCCDKXQGPC-XJKSGUPXSA-N 0 0 245.366 3.924 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1cc(C)cc(C)n1 ZINC000476443825 528452697 /nfs/dbraw/zinc/45/26/97/528452697.db2.gz RAJPSWGNWLKIDH-HNNXBMFYSA-N 0 0 248.370 3.853 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1cc(C)cc(C)n1 ZINC000476443826 527884878 /nfs/dbraw/zinc/88/48/78/527884878.db2.gz RAJPSWGNWLKIDH-OAHLLOKOSA-N 0 0 248.370 3.853 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@@H](C)CC(C)C ZINC000476447253 527883071 /nfs/dbraw/zinc/88/30/71/527883071.db2.gz FSFYTZYVIVOMPH-GXTWGEPZSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H](C)CC(C)C ZINC000476447254 528452055 /nfs/dbraw/zinc/45/20/55/528452055.db2.gz FSFYTZYVIVOMPH-JSGCOSHPSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H](C)CC(C)C ZINC000476447255 528451584 /nfs/dbraw/zinc/45/15/84/528451584.db2.gz FSFYTZYVIVOMPH-OCCSQVGLSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@H](C)CC(C)C ZINC000476447256 527884346 /nfs/dbraw/zinc/88/43/46/527884346.db2.gz FSFYTZYVIVOMPH-TZMCWYRMSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)CC(C)C ZINC000476451624 529285582 /nfs/dbraw/zinc/28/55/82/529285582.db2.gz ZBTISWCOBJGSJQ-BFHYXJOUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)CC(C)C ZINC000476451625 529276468 /nfs/dbraw/zinc/27/64/68/529276468.db2.gz ZBTISWCOBJGSJQ-MCIONIFRSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)CC(C)C ZINC000476451626 529285467 /nfs/dbraw/zinc/28/54/67/529285467.db2.gz ZBTISWCOBJGSJQ-MGPQQGTHSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)CC(C)C ZINC000476451627 529276256 /nfs/dbraw/zinc/27/62/56/529276256.db2.gz ZBTISWCOBJGSJQ-MJBXVCDLSA-N 0 0 239.403 3.754 20 0 BHADRN c1c[nH]c(S[C@@H]2CCCCc3ccccc32)n1 ZINC000476465018 225150299 /nfs/dbraw/zinc/15/02/99/225150299.db2.gz WTIUTKPKUSUACZ-CYBMUJFWSA-N 0 0 244.363 3.970 20 0 BHADRN c1c[nH]c(S[C@H]2CCCCc3ccccc32)n1 ZINC000476465031 225150510 /nfs/dbraw/zinc/15/05/10/225150510.db2.gz WTIUTKPKUSUACZ-ZDUSSCGKSA-N 0 0 244.363 3.970 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1cc(C)ccc1O ZINC000476466083 528453309 /nfs/dbraw/zinc/45/33/09/528453309.db2.gz XHKOCKRLABRMRE-HNNXBMFYSA-N 0 0 249.354 3.856 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1cc(C)ccc1O ZINC000476466085 527884503 /nfs/dbraw/zinc/88/45/03/527884503.db2.gz XHKOCKRLABRMRE-OAHLLOKOSA-N 0 0 249.354 3.856 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCCC1=CCCC1 ZINC000476489969 528449630 /nfs/dbraw/zinc/44/96/30/528449630.db2.gz QDZDVNXMTSATRW-HNNXBMFYSA-N 0 0 237.387 3.819 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCCC1=CCCC1 ZINC000476489970 527883235 /nfs/dbraw/zinc/88/32/35/527883235.db2.gz QDZDVNXMTSATRW-OAHLLOKOSA-N 0 0 237.387 3.819 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCC1(C2CC2)CC1 ZINC000476491735 528449138 /nfs/dbraw/zinc/44/91/38/528449138.db2.gz STWZQDXKVFPRDB-AWEZNQCLSA-N 0 0 237.387 3.509 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCC1(C2CC2)CC1 ZINC000476491736 527881615 /nfs/dbraw/zinc/88/16/15/527881615.db2.gz STWZQDXKVFPRDB-CQSZACIVSA-N 0 0 237.387 3.509 20 0 BHADRN CCC(CC)(CC)NC(=O)Nc1ccsc1 ZINC000476493955 528634761 /nfs/dbraw/zinc/63/47/61/528634761.db2.gz MPLBBTLVGRWGRT-UHFFFAOYSA-N 0 0 240.372 3.838 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NCCC1=CCCC1 ZINC000476494107 529275692 /nfs/dbraw/zinc/27/56/92/529275692.db2.gz XJBGCSPWRUWKAP-CABCVRRESA-N 0 0 249.398 3.819 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NCCC1=CCCC1 ZINC000476494110 529203616 /nfs/dbraw/zinc/20/36/16/529203616.db2.gz XJBGCSPWRUWKAP-GJZGRUSLSA-N 0 0 249.398 3.819 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NCCC1=CCCC1 ZINC000476494111 529285064 /nfs/dbraw/zinc/28/50/64/529285064.db2.gz XJBGCSPWRUWKAP-HUUCEWRRSA-N 0 0 249.398 3.819 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NCCC1=CCCC1 ZINC000476494113 529208550 /nfs/dbraw/zinc/20/85/50/529208550.db2.gz XJBGCSPWRUWKAP-LSDHHAIUSA-N 0 0 249.398 3.819 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NCC1(C2CC2)CC1 ZINC000476494560 529208612 /nfs/dbraw/zinc/20/86/12/529208612.db2.gz YPPGTIKZOATKFJ-GXTWGEPZSA-N 0 0 249.398 3.509 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NCC1(C2CC2)CC1 ZINC000476494561 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528451413 /nfs/dbraw/zinc/45/14/13/528451413.db2.gz VKSKQQNBYRAQFG-WFASDCNBSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)c1cnc(SC2CCCC2)n1C ZINC000476526220 528227130 /nfs/dbraw/zinc/22/71/30/528227130.db2.gz UAQKQQKXCHTIMG-UHFFFAOYSA-N 0 0 224.373 3.578 20 0 BHADRN CCCCCSc1ncc(C(C)C)n1C ZINC000476531147 528251286 /nfs/dbraw/zinc/25/12/86/528251286.db2.gz IZYDREOWVFGFSK-UHFFFAOYSA-N 0 0 226.389 3.826 20 0 BHADRN CCCCN(C(=O)[C@@H]1C[C@@H]1C(C)C)[C@@H](C)CC ZINC000476534207 528308707 /nfs/dbraw/zinc/30/87/07/528308707.db2.gz MZKWRVDVSNLQLB-BFHYXJOUSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCN(C(=O)[C@@H]1C[C@H]1C(C)C)[C@H](C)CC ZINC000476534208 528308292 /nfs/dbraw/zinc/30/82/92/528308292.db2.gz MZKWRVDVSNLQLB-HZSPNIEDSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCN(C(=O)[C@@H]1C[C@H]1C(C)C)[C@@H](C)CC ZINC000476534209 528308838 /nfs/dbraw/zinc/30/88/38/528308838.db2.gz MZKWRVDVSNLQLB-MELADBBJSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCN(C(=O)[C@@H]1C[C@@H]1C(C)C)[C@H](C)CC ZINC000476534210 528309011 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232.389 3.640 20 0 BHADRN CCC[C@@H](CC)SCCC(=O)OC(C)C ZINC000477065994 528925124 /nfs/dbraw/zinc/92/51/24/528925124.db2.gz MRCWWBTVVBFQSP-LLVKDONJSA-N 0 0 232.389 3.640 20 0 BHADRN CCC[C@H](CC)SCCC(=O)OC(C)C ZINC000477065996 528108480 /nfs/dbraw/zinc/10/84/80/528108480.db2.gz MRCWWBTVVBFQSP-NSHDSACASA-N 0 0 232.389 3.640 20 0 BHADRN CCC[C@@H](CC)SCCOCC1CC1 ZINC000477066221 528925394 /nfs/dbraw/zinc/92/53/94/528925394.db2.gz KMXBWJVOUPSTQM-GFCCVEGCSA-N 0 0 216.390 3.725 20 0 BHADRN CCC[C@H](CC)SCCOCC1CC1 ZINC000477066222 528109621 /nfs/dbraw/zinc/10/96/21/528109621.db2.gz KMXBWJVOUPSTQM-LBPRGKRZSA-N 0 0 216.390 3.725 20 0 BHADRN c1cc(CCSCC2CCCCC2)ccn1 ZINC000477066664 225156009 /nfs/dbraw/zinc/15/60/09/225156009.db2.gz FXOCHWFNUHFCOG-UHFFFAOYSA-N 0 0 235.396 3.938 20 0 BHADRN CCC[C@@H](CC)SCCCc1cn[nH]c1 ZINC000477066743 528925044 /nfs/dbraw/zinc/92/50/44/528925044.db2.gz GGHQSHXTQBQVAP-GFCCVEGCSA-N 0 0 226.389 3.654 20 0 BHADRN CCC[C@H](CC)SCCCc1cn[nH]c1 ZINC000477066744 528109319 /nfs/dbraw/zinc/10/93/19/528109319.db2.gz GGHQSHXTQBQVAP-LBPRGKRZSA-N 0 0 226.389 3.654 20 0 BHADRN CCCC(C)(C)NC(=O)[C@H]1CC12CCCCC2 ZINC000477070045 527989092 /nfs/dbraw/zinc/98/90/92/527989092.db2.gz CPTQJKIXWJIQQO-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC(C)(C)NC(=O)[C@@H]1CC12CCCCC2 ZINC000477070046 527989256 /nfs/dbraw/zinc/98/92/56/527989256.db2.gz CPTQJKIXWJIQQO-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCc1nc(CS[C@@H](CC)CCC)no1 ZINC000477071157 528753281 /nfs/dbraw/zinc/75/32/81/528753281.db2.gz VBQDOXPXKJRDKS-JTQLQIEISA-N 0 0 242.388 3.834 20 0 BHADRN CCCc1nc(CS[C@H](CC)CCC)no1 ZINC000477071159 528753669 /nfs/dbraw/zinc/75/36/69/528753669.db2.gz VBQDOXPXKJRDKS-SNVBAGLBSA-N 0 0 242.388 3.834 20 0 BHADRN CCC[C@H](CC)S[C@H](C)C(=O)N(C)C(C)C ZINC000477072435 528110240 /nfs/dbraw/zinc/11/02/40/528110240.db2.gz HNIGBGNOOBWMBC-NEPJUHHUSA-N 0 0 245.432 3.554 20 0 BHADRN CCC[C@@H](CC)S[C@@H](C)C(=O)N(C)C(C)C ZINC000477072436 528926101 /nfs/dbraw/zinc/92/61/01/528926101.db2.gz HNIGBGNOOBWMBC-NWDGAFQWSA-N 0 0 245.432 3.554 20 0 BHADRN CCC[C@H](CC)S[C@@H](C)C(=O)N(C)C(C)C ZINC000477072438 528108880 /nfs/dbraw/zinc/10/88/80/528108880.db2.gz HNIGBGNOOBWMBC-RYUDHWBXSA-N 0 0 245.432 3.554 20 0 BHADRN CCC[C@@H](CC)S[C@H](C)C(=O)N(C)C(C)C ZINC000477072439 528926608 /nfs/dbraw/zinc/92/66/08/528926608.db2.gz HNIGBGNOOBWMBC-VXGBXAGGSA-N 0 0 245.432 3.554 20 0 BHADRN CCC[C@@H](CC)SCc1cc(OC)ccn1 ZINC000477073493 528925038 /nfs/dbraw/zinc/92/50/38/528925038.db2.gz CHBHMHQCLAFFJE-CYBMUJFWSA-N 0 0 239.384 3.902 20 0 BHADRN CCC[C@H](CC)SCc1cc(OC)ccn1 ZINC000477073494 528109920 /nfs/dbraw/zinc/10/99/20/528109920.db2.gz CHBHMHQCLAFFJE-ZDUSSCGKSA-N 0 0 239.384 3.902 20 0 BHADRN CCC[C@@H](CC)SCCc1ccncc1 ZINC000477076256 528925615 /nfs/dbraw/zinc/92/56/15/528925615.db2.gz PHEFWUKNEMXSBG-CYBMUJFWSA-N 0 0 223.385 3.936 20 0 BHADRN CCC[C@H](CC)SCCc1ccncc1 ZINC000477076257 528109607 /nfs/dbraw/zinc/10/96/07/528109607.db2.gz PHEFWUKNEMXSBG-ZDUSSCGKSA-N 0 0 223.385 3.936 20 0 BHADRN CCCCNC(=O)[C@@H](C)S[C@@H](CC)CCC ZINC000477077284 528525829 /nfs/dbraw/zinc/52/58/29/528525829.db2.gz YLOFSMLJUGJJSR-NEPJUHHUSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCNC(=O)[C@H](C)S[C@H](CC)CCC ZINC000477077285 528539528 /nfs/dbraw/zinc/53/95/28/528539528.db2.gz YLOFSMLJUGJJSR-NWDGAFQWSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCNC(=O)[C@H](C)S[C@@H](CC)CCC ZINC000477077286 528539574 /nfs/dbraw/zinc/53/95/74/528539574.db2.gz YLOFSMLJUGJJSR-RYUDHWBXSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCNC(=O)[C@@H](C)S[C@H](CC)CCC ZINC000477077287 528525458 /nfs/dbraw/zinc/52/54/58/528525458.db2.gz YLOFSMLJUGJJSR-VXGBXAGGSA-N 0 0 245.432 3.603 20 0 BHADRN CCC[C@H](CC)SC[C@H]1CCCCO1 ZINC000477077586 528109736 /nfs/dbraw/zinc/10/97/36/528109736.db2.gz ZVKCHTRMNCFYTB-NEPJUHHUSA-N 0 0 216.390 3.867 20 0 BHADRN CCC[C@@H](CC)SC[C@@H]1CCCCO1 ZINC000477077587 528924982 /nfs/dbraw/zinc/92/49/82/528924982.db2.gz ZVKCHTRMNCFYTB-NWDGAFQWSA-N 0 0 216.390 3.867 20 0 BHADRN CCC[C@H](CC)SC[C@@H]1CCCCO1 ZINC000477077588 528109850 /nfs/dbraw/zinc/10/98/50/528109850.db2.gz ZVKCHTRMNCFYTB-RYUDHWBXSA-N 0 0 216.390 3.867 20 0 BHADRN CCC[C@@H](CC)SC[C@H]1CCCCO1 ZINC000477077589 528925507 /nfs/dbraw/zinc/92/55/07/528925507.db2.gz ZVKCHTRMNCFYTB-VXGBXAGGSA-N 0 0 216.390 3.867 20 0 BHADRN CCC[C@@H](CC)SCCc1ccnn1CC ZINC000477077750 528925264 /nfs/dbraw/zinc/92/52/64/528925264.db2.gz OUZJQTBYGDHUPT-CYBMUJFWSA-N 0 0 240.416 3.757 20 0 BHADRN CCC[C@H](CC)SCCc1ccnn1CC ZINC000477077751 528109587 /nfs/dbraw/zinc/10/95/87/528109587.db2.gz OUZJQTBYGDHUPT-ZDUSSCGKSA-N 0 0 240.416 3.757 20 0 BHADRN CCCc1noc(CS[C@@H](CC)CCC)n1 ZINC000477078992 528791656 /nfs/dbraw/zinc/79/16/56/528791656.db2.gz VJSCJFXXMBURKN-JTQLQIEISA-N 0 0 242.388 3.834 20 0 BHADRN CCCc1noc(CS[C@H](CC)CCC)n1 ZINC000477078993 528791437 /nfs/dbraw/zinc/79/14/37/528791437.db2.gz VJSCJFXXMBURKN-SNVBAGLBSA-N 0 0 242.388 3.834 20 0 BHADRN CCC[C@H](CC)SCC(=O)C(C)(C)C ZINC000477079428 528107447 /nfs/dbraw/zinc/10/74/47/528107447.db2.gz YMDULYRQUGJPIP-JTQLQIEISA-N 0 0 216.390 3.914 20 0 BHADRN CCC[C@@H](CC)SCC(=O)C(C)(C)C ZINC000477079429 528925679 /nfs/dbraw/zinc/92/56/79/528925679.db2.gz YMDULYRQUGJPIP-SNVBAGLBSA-N 0 0 216.390 3.914 20 0 BHADRN CCC[C@@H](CC)SCCc1ccccn1 ZINC000477080568 528925669 /nfs/dbraw/zinc/92/56/69/528925669.db2.gz DBCYIVMTGYKCKD-CYBMUJFWSA-N 0 0 223.385 3.936 20 0 BHADRN CCC[C@H](CC)SCCc1ccccn1 ZINC000477080570 528109693 /nfs/dbraw/zinc/10/96/93/528109693.db2.gz DBCYIVMTGYKCKD-ZDUSSCGKSA-N 0 0 223.385 3.936 20 0 BHADRN CCC[C@H](CC)S[C@H](C)C(=O)N(CC)CC ZINC000477081453 528110877 /nfs/dbraw/zinc/11/08/77/528110877.db2.gz AWNOGLOCKVSJJI-NEPJUHHUSA-N 0 0 245.432 3.555 20 0 BHADRN CCC[C@@H](CC)S[C@@H](C)C(=O)N(CC)CC ZINC000477081454 528926448 /nfs/dbraw/zinc/92/64/48/528926448.db2.gz AWNOGLOCKVSJJI-NWDGAFQWSA-N 0 0 245.432 3.555 20 0 BHADRN CCC[C@H](CC)S[C@@H](C)C(=O)N(CC)CC ZINC000477081455 528109142 /nfs/dbraw/zinc/10/91/42/528109142.db2.gz AWNOGLOCKVSJJI-RYUDHWBXSA-N 0 0 245.432 3.555 20 0 BHADRN CCC[C@@H](CC)S[C@H](C)C(=O)N(CC)CC ZINC000477081456 528926138 /nfs/dbraw/zinc/92/61/38/528926138.db2.gz AWNOGLOCKVSJJI-VXGBXAGGSA-N 0 0 245.432 3.555 20 0 BHADRN CC(C)(C)C(=O)CSCC1CCCCC1 ZINC000477082746 527564270 /nfs/dbraw/zinc/56/42/70/527564270.db2.gz JZOFBBLVCDVCHN-UHFFFAOYSA-N 0 0 228.401 3.915 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CCCC2 ZINC000477082941 529276246 /nfs/dbraw/zinc/27/62/46/529276246.db2.gz CADGNOXRTKGRBO-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CC12CCCC2 ZINC000477082944 529285594 /nfs/dbraw/zinc/28/55/94/529285594.db2.gz CADGNOXRTKGRBO-MCIONIFRSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CC12CCCC2 ZINC000477082950 529285502 /nfs/dbraw/zinc/28/55/02/529285502.db2.gz CADGNOXRTKGRBO-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CC12CCCC2 ZINC000477082954 529276544 /nfs/dbraw/zinc/27/65/44/529276544.db2.gz CADGNOXRTKGRBO-RDBSUJKOSA-N 0 0 249.398 3.652 20 0 BHADRN CCC[C@H](CC)SCc1ccc(CO)cc1 ZINC000477086210 528109774 /nfs/dbraw/zinc/10/97/74/528109774.db2.gz MIQYIDPMAPMFNT-AWEZNQCLSA-N 0 0 238.396 3.991 20 0 BHADRN CCC[C@@H](CC)SCc1ccc(CO)cc1 ZINC000477086218 528925590 /nfs/dbraw/zinc/92/55/90/528925590.db2.gz MIQYIDPMAPMFNT-CQSZACIVSA-N 0 0 238.396 3.991 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@H]1CC12CCCC2 ZINC000477086841 527884093 /nfs/dbraw/zinc/88/40/93/527884093.db2.gz KLIGLFDZEJHZGL-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CC12CCCC2 ZINC000477086842 528452050 /nfs/dbraw/zinc/45/20/50/528452050.db2.gz KLIGLFDZEJHZGL-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H]1CC12CCCC2 ZINC000477086843 528451308 /nfs/dbraw/zinc/45/13/08/528451308.db2.gz KLIGLFDZEJHZGL-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@@H]1CC12CCCC2 ZINC000477086844 527883843 /nfs/dbraw/zinc/88/38/43/527883843.db2.gz KLIGLFDZEJHZGL-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H](NC(=O)[C@H]1CC12CCCCC2)C(C)C ZINC000477089215 529659141 /nfs/dbraw/zinc/65/91/41/529659141.db2.gz OLMTWICPQNEOCA-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](NC(=O)[C@H]1CC12CCCCC2)C(C)C ZINC000477089216 529551005 /nfs/dbraw/zinc/55/10/05/529551005.db2.gz OLMTWICPQNEOCA-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](NC(=O)[C@@H]1CC12CCCCC2)C(C)C ZINC000477089217 529655033 /nfs/dbraw/zinc/65/50/33/529655033.db2.gz OLMTWICPQNEOCA-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](NC(=O)[C@@H]1CC12CCCCC2)C(C)C ZINC000477089218 529540917 /nfs/dbraw/zinc/54/09/17/529540917.db2.gz OLMTWICPQNEOCA-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN CCc1ccc(CC)c(NC(=O)[C@H](C)C2CC2)c1 ZINC000477093780 529624885 /nfs/dbraw/zinc/62/48/85/529624885.db2.gz WVTQYPOIOYOWSF-LLVKDONJSA-N 0 0 245.366 3.796 20 0 BHADRN CCc1ccc(CC)c(NC(=O)[C@@H](C)C2CC2)c1 ZINC000477093795 529625160 /nfs/dbraw/zinc/62/51/60/529625160.db2.gz WVTQYPOIOYOWSF-NSHDSACASA-N 0 0 245.366 3.796 20 0 BHADRN Cc1cc(O)ccc1NC(=O)[C@H](C)CC(C)(C)C ZINC000477094639 534014172 /nfs/dbraw/zinc/01/41/72/534014172.db2.gz APRHSSHJYWMBLO-LLVKDONJSA-N 0 0 249.354 3.711 20 0 BHADRN Cc1cc(O)ccc1NC(=O)[C@@H](C)CC(C)(C)C ZINC000477094646 534011832 /nfs/dbraw/zinc/01/18/32/534011832.db2.gz APRHSSHJYWMBLO-NSHDSACASA-N 0 0 249.354 3.711 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)[C@H](C)C1CC1 ZINC000477099725 527682762 /nfs/dbraw/zinc/68/27/62/527682762.db2.gz LAIBAMYWLBPETQ-GFCCVEGCSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)[C@@H](C)C1CC1 ZINC000477099727 527682626 /nfs/dbraw/zinc/68/26/26/527682626.db2.gz LAIBAMYWLBPETQ-LBPRGKRZSA-N 0 0 239.403 3.610 20 0 BHADRN Cc1cc(NC(=O)[C@H](C)CC(C)(C)C)ccc1O ZINC000477102378 533983357 /nfs/dbraw/zinc/98/33/57/533983357.db2.gz QQXDRPRSKCVZMB-LLVKDONJSA-N 0 0 249.354 3.711 20 0 BHADRN Cc1cc(NC(=O)[C@@H](C)CC(C)(C)C)ccc1O ZINC000477102381 225156544 /nfs/dbraw/zinc/15/65/44/225156544.db2.gz QQXDRPRSKCVZMB-NSHDSACASA-N 0 0 249.354 3.711 20 0 BHADRN Cc1cccc(N(C(=O)[C@H](C)C2CC2)C(C)C)c1 ZINC000477103194 225156407 /nfs/dbraw/zinc/15/64/07/225156407.db2.gz SYSAYVDGBXXOKV-CYBMUJFWSA-N 0 0 245.366 3.783 20 0 BHADRN Cc1cccc(N(C(=O)[C@@H](C)C2CC2)C(C)C)c1 ZINC000477103378 225157554 /nfs/dbraw/zinc/15/75/54/225157554.db2.gz SYSAYVDGBXXOKV-ZDUSSCGKSA-N 0 0 245.366 3.783 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NCC(C)(C)CC ZINC000477106340 529285083 /nfs/dbraw/zinc/28/50/83/529285083.db2.gz CIEDYMLVPFIURJ-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NCC(C)(C)CC ZINC000477106342 529275698 /nfs/dbraw/zinc/27/56/98/529275698.db2.gz CIEDYMLVPFIURJ-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NCC(C)(C)CC ZINC000477106345 529208653 /nfs/dbraw/zinc/20/86/53/529208653.db2.gz CIEDYMLVPFIURJ-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NCC(C)(C)CC ZINC000477106346 529203304 /nfs/dbraw/zinc/20/33/04/529203304.db2.gz CIEDYMLVPFIURJ-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CCC[C@](C)(CC)C(=O)NCC(C)(C)CC ZINC000477112141 528449126 /nfs/dbraw/zinc/44/91/26/528449126.db2.gz RIPJWAYCDBCRAE-AWEZNQCLSA-N 0 0 227.392 3.755 20 0 BHADRN CCC[C@@](C)(CC)C(=O)NCC(C)(C)CC ZINC000477112143 527880553 /nfs/dbraw/zinc/88/05/53/527880553.db2.gz RIPJWAYCDBCRAE-CQSZACIVSA-N 0 0 227.392 3.755 20 0 BHADRN Cc1ccccc1N(C(=O)[C@H](C)C1CC1)C(C)C ZINC000477112606 225157386 /nfs/dbraw/zinc/15/73/86/225157386.db2.gz PQMXRBJXIDWNPV-CYBMUJFWSA-N 0 0 245.366 3.783 20 0 BHADRN Cc1ccccc1N(C(=O)[C@@H](C)C1CC1)C(C)C ZINC000477112609 225156846 /nfs/dbraw/zinc/15/68/46/225156846.db2.gz PQMXRBJXIDWNPV-ZDUSSCGKSA-N 0 0 245.366 3.783 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)[C@@H]2CC23CCCCC3)CC1 ZINC000477118088 533762385 /nfs/dbraw/zinc/76/23/85/533762385.db2.gz GPKWOGXDHDAQNT-IHRRRGAJSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)[C@H]2CC23CCCCC3)CC1 ZINC000477118089 533763259 /nfs/dbraw/zinc/76/32/59/533763259.db2.gz GPKWOGXDHDAQNT-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN CCC(CC)CNC(=O)[C@H]1CC12CCCCC2 ZINC000477118315 538803742 /nfs/dbraw/zinc/80/37/42/538803742.db2.gz YICJTPROXJTPCG-CYBMUJFWSA-N 0 0 237.387 3.509 20 0 BHADRN CCC(CC)CNC(=O)[C@@H]1CC12CCCCC2 ZINC000477118316 538802782 /nfs/dbraw/zinc/80/27/82/538802782.db2.gz YICJTPROXJTPCG-ZDUSSCGKSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(CNC(=O)[C@H]2CC23CCCCC3)CCCC1 ZINC000477123698 527972270 /nfs/dbraw/zinc/97/22/70/527972270.db2.gz DMSPRTXPGUAFBW-CYBMUJFWSA-N 0 0 249.398 3.653 20 0 BHADRN CC1(CNC(=O)[C@@H]2CC23CCCCC3)CCCC1 ZINC000477123699 527968454 /nfs/dbraw/zinc/96/84/54/527968454.db2.gz DMSPRTXPGUAFBW-ZDUSSCGKSA-N 0 0 249.398 3.653 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)NCCC1(C)CC1 ZINC000477123713 529285075 /nfs/dbraw/zinc/28/50/75/529285075.db2.gz DRQMZEHLKWXNHI-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)NCCC1(C)CC1 ZINC000477123714 529275708 /nfs/dbraw/zinc/27/57/08/529275708.db2.gz DRQMZEHLKWXNHI-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)NCCC1(C)CC1 ZINC000477123715 529208602 /nfs/dbraw/zinc/20/86/02/529208602.db2.gz DRQMZEHLKWXNHI-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)NCCC1(C)CC1 ZINC000477123716 529203385 /nfs/dbraw/zinc/20/33/85/529203385.db2.gz DRQMZEHLKWXNHI-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CN(CC1CC1)c1cccc2ccccc21 ZINC000477136741 529862558 /nfs/dbraw/zinc/86/25/58/529862558.db2.gz MJCGTNYWMCDDDJ-UHFFFAOYSA-N 0 0 211.308 3.686 20 0 BHADRN C[C@H](C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 ZINC000477147356 225156502 /nfs/dbraw/zinc/15/65/02/225156502.db2.gz FHGLOCSNXLNJLL-CYUUQNCZSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1 ZINC000477147358 225157505 /nfs/dbraw/zinc/15/75/05/225157505.db2.gz FHGLOCSNXLNJLL-PMOUVXMZSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 ZINC000477147359 225156710 /nfs/dbraw/zinc/15/67/10/225156710.db2.gz FHGLOCSNXLNJLL-SPWCGHHHSA-N 0 0 249.398 3.508 20 0 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246.354 3.781 20 0 BHADRN CC(C)=CCCNC(=O)Nc1cc(C)cc(C)c1 ZINC000479567381 527404183 /nfs/dbraw/zinc/40/41/83/527404183.db2.gz OCXGLZGRAMXZQT-UHFFFAOYSA-N 0 0 246.354 3.781 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)C2(C)CCCC2)CC1 ZINC000479569438 529253698 /nfs/dbraw/zinc/25/36/98/529253698.db2.gz ZDBPPDHKQLFWDW-JOCQHMNTSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)CCC(C)(C)C)CC1 ZINC000479581338 529254428 /nfs/dbraw/zinc/25/44/28/529254428.db2.gz IPDXFRDXKFGVSK-JOCQHMNTSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)C2=C(C)CCC2)CC1 ZINC000479582328 529254576 /nfs/dbraw/zinc/25/45/76/529254576.db2.gz KULGPBFFWZCZMG-JOCQHMNTSA-N 0 0 235.371 3.572 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC000479583041 529256669 /nfs/dbraw/zinc/25/66/69/529256669.db2.gz LMLXLFADLYHJES-IHRRRGAJSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)[C@H]2CC23CCCC3)CC1 ZINC000479583043 529257094 /nfs/dbraw/zinc/25/70/94/529257094.db2.gz LMLXLFADLYHJES-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)CC2CCCC2)CC1 ZINC000479587393 529254532 /nfs/dbraw/zinc/25/45/32/529254532.db2.gz RDXQTSRCSDSUQK-MQMHXKEQSA-N 0 0 237.387 3.652 20 0 BHADRN CCOCCSCCc1ccccc1CC ZINC000479589378 528859493 /nfs/dbraw/zinc/85/94/93/528859493.db2.gz LQUFAYGZYJZZFM-UHFFFAOYSA-N 0 0 238.396 3.561 20 0 BHADRN CCOCCSCc1ccc(C)cc1Cl ZINC000479596660 528859881 /nfs/dbraw/zinc/85/98/81/528859881.db2.gz YECNEFBSPYDROC-UHFFFAOYSA-N 0 0 244.787 3.918 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC000479597278 529257572 /nfs/dbraw/zinc/25/75/72/529257572.db2.gz ZLYYXFOYSGHCJU-HAQNSBGRSA-N 0 0 249.329 3.524 20 0 BHADRN COc1cc(Cl)ccc1CSCCCF ZINC000479597867 225189976 /nfs/dbraw/zinc/18/99/76/225189976.db2.gz HERWDWNLRFBJET-UHFFFAOYSA-N 0 0 248.750 3.941 20 0 BHADRN CCOCCSCc1ccccc1CC ZINC000479604418 528859323 /nfs/dbraw/zinc/85/93/23/528859323.db2.gz FREZLAAGIIYUKH-UHFFFAOYSA-N 0 0 224.369 3.519 20 0 BHADRN COc1cc(Cl)ccc1CSC(C)C ZINC000479608148 225189558 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CCCCCC(=O)N(CC)CC(CC)CC ZINC000480046171 528102507 /nfs/dbraw/zinc/10/25/07/528102507.db2.gz SBZBPLKVFGQNRY-UHFFFAOYSA-N 0 0 227.392 3.851 20 0 BHADRN Cc1cccc2nc(N(C)C3CCC3)sc21 ZINC000480046622 225196741 /nfs/dbraw/zinc/19/67/41/225196741.db2.gz RRQDCPQSLYUIMD-UHFFFAOYSA-N 0 0 232.352 3.593 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000480047575 528260693 /nfs/dbraw/zinc/26/06/93/528260693.db2.gz VISSBPJXJCVFAP-KFWWJZLASA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000480047577 528273960 /nfs/dbraw/zinc/27/39/60/528273960.db2.gz VISSBPJXJCVFAP-ZNMIVQPWSA-N 0 0 249.398 3.604 20 0 BHADRN CNc1ccccc1OCc1cccc(Cl)c1 ZINC000480049404 533072063 /nfs/dbraw/zinc/07/20/63/533072063.db2.gz QKVLHRIZJUYBHO-UHFFFAOYSA-N 0 0 247.725 3.961 20 0 BHADRN Cc1cnn(Cc2c(C)ccc3ccccc32)c1 ZINC000480055934 225196458 /nfs/dbraw/zinc/19/64/58/225196458.db2.gz DNVGQKXDACFQFH-UHFFFAOYSA-N 0 0 236.318 3.701 20 0 BHADRN CC[C@@H]1CCN(c2nc3cccc(C)c3s2)C1 ZINC000480056755 529327737 /nfs/dbraw/zinc/32/77/37/529327737.db2.gz AWSHSYCUGZKSQM-LLVKDONJSA-N 0 0 246.379 3.841 20 0 BHADRN CC[C@H]1CCN(c2nc3cccc(C)c3s2)C1 ZINC000480056756 529239721 /nfs/dbraw/zinc/23/97/21/529239721.db2.gz AWSHSYCUGZKSQM-NSHDSACASA-N 0 0 246.379 3.841 20 0 BHADRN Cc1cccc2nc(N3[C@H](C)CC[C@H]3C)sc21 ZINC000480057438 225196518 /nfs/dbraw/zinc/19/65/18/225196518.db2.gz CQRCCQXTNKLZNH-GHMZBOCLSA-N 0 0 246.379 3.982 20 0 BHADRN Cc1cccc2nc(N3[C@H](C)CC[C@@H]3C)sc21 ZINC000480057439 225196424 /nfs/dbraw/zinc/19/64/24/225196424.db2.gz CQRCCQXTNKLZNH-PHIMTYICSA-N 0 0 246.379 3.982 20 0 BHADRN Cc1cccc2nc(N3[C@@H](C)CC[C@@H]3C)sc21 ZINC000480057440 225196299 /nfs/dbraw/zinc/19/62/99/225196299.db2.gz CQRCCQXTNKLZNH-QWRGUYRKSA-N 0 0 246.379 3.982 20 0 BHADRN Cc1cccc2nc(N3CCC[C@@H]3C)sc21 ZINC000480059007 225196645 /nfs/dbraw/zinc/19/66/45/225196645.db2.gz IBHXFUOHYSJLJM-JTQLQIEISA-N 0 0 232.352 3.593 20 0 BHADRN Cc1cccc2nc(N3CCC[C@H]3C)sc21 ZINC000480059008 225196432 /nfs/dbraw/zinc/19/64/32/225196432.db2.gz IBHXFUOHYSJLJM-SNVBAGLBSA-N 0 0 232.352 3.593 20 0 BHADRN CCC(CC)CN(CC)C(=O)CCC(C)C ZINC000480059664 528738903 /nfs/dbraw/zinc/73/89/03/528738903.db2.gz KLDRXXKQLKLAPH-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN Cc1cccc2nc(N3CCC34CCC4)sc21 ZINC000480059980 225196453 /nfs/dbraw/zinc/19/64/53/225196453.db2.gz UYQRPMNQJMFFPL-UHFFFAOYSA-N 0 0 244.363 3.738 20 0 BHADRN Cc1cccc2nc(N3C[C@@H](C)[C@H](C)C3)sc21 ZINC000480060174 225196296 /nfs/dbraw/zinc/19/62/96/225196296.db2.gz KJZLFZIFAPWOGB-GHMZBOCLSA-N 0 0 246.379 3.697 20 0 BHADRN Cc1cccc2nc(N3C[C@H](C)[C@H](C)C3)sc21 ZINC000480060175 225196881 /nfs/dbraw/zinc/19/68/81/225196881.db2.gz KJZLFZIFAPWOGB-PHIMTYICSA-N 0 0 246.379 3.697 20 0 BHADRN Cc1cccc2nc(N3C[C@H](C)[C@@H](C)C3)sc21 ZINC000480060176 225196709 /nfs/dbraw/zinc/19/67/09/225196709.db2.gz KJZLFZIFAPWOGB-QWRGUYRKSA-N 0 0 246.379 3.697 20 0 BHADRN CC(C)CCOc1ccccc1OC(F)F ZINC000480060484 527789015 /nfs/dbraw/zinc/78/90/15/527789015.db2.gz ZXZLBBOVGNRNGA-UHFFFAOYSA-N 0 0 230.254 3.713 20 0 BHADRN Cc1cccc2nc(N3CC=C(C)CC3)sc21 ZINC000480060561 225196704 /nfs/dbraw/zinc/19/67/04/225196704.db2.gz ACCZYLFBGMUQFW-UHFFFAOYSA-N 0 0 244.363 3.761 20 0 BHADRN Cc1cccc2nc(N3CC[C@H](C)[C@H]3C)sc21 ZINC000480061768 225196116 /nfs/dbraw/zinc/19/61/16/225196116.db2.gz NVGNHAVZWPMSIJ-GXSJLCMTSA-N 0 0 246.379 3.839 20 0 BHADRN Cc1cccc2nc(N3CC[C@@H](C)[C@@H]3C)sc21 ZINC000480061770 225196923 /nfs/dbraw/zinc/19/69/23/225196923.db2.gz NVGNHAVZWPMSIJ-KOLCDFICSA-N 0 0 246.379 3.839 20 0 BHADRN Cc1cccc2nc(N3CC[C@@H](C)[C@H]3C)sc21 ZINC000480061772 225196139 /nfs/dbraw/zinc/19/61/39/225196139.db2.gz NVGNHAVZWPMSIJ-MWLCHTKSSA-N 0 0 246.379 3.839 20 0 BHADRN Cc1cccc2nc(N3CC[C@H](C)[C@@H]3C)sc21 ZINC000480061774 225196628 /nfs/dbraw/zinc/19/66/28/225196628.db2.gz NVGNHAVZWPMSIJ-ONGXEEELSA-N 0 0 246.379 3.839 20 0 BHADRN CC(C)CCOc1ccc2ncccc2c1 ZINC000480064061 527784517 /nfs/dbraw/zinc/78/45/17/527784517.db2.gz UFWTXWOGWFNEAR-UHFFFAOYSA-N 0 0 215.296 3.660 20 0 BHADRN Cc1cccc2nc(N3CCC(C)(C)C3)sc21 ZINC000480065706 225196328 /nfs/dbraw/zinc/19/63/28/225196328.db2.gz XAVXHTCEKBXRJH-UHFFFAOYSA-N 0 0 246.379 3.841 20 0 BHADRN CCC[C@@H](C(=O)Nc1cccc(F)c1)C(C)C ZINC000480071900 528848227 /nfs/dbraw/zinc/84/82/27/528848227.db2.gz PZPGUFUFOXFCIS-CYBMUJFWSA-N 0 0 237.318 3.837 20 0 BHADRN CCC[C@H](C(=O)Nc1cccc(F)c1)C(C)C ZINC000480071916 527989014 /nfs/dbraw/zinc/98/90/14/527989014.db2.gz PZPGUFUFOXFCIS-ZDUSSCGKSA-N 0 0 237.318 3.837 20 0 BHADRN CCCCC(=O)Nc1cccc(C(C)(C)C)c1O ZINC000480075803 528091450 /nfs/dbraw/zinc/09/14/50/528091450.db2.gz TZONVUWMARETOH-UHFFFAOYSA-N 0 0 249.354 3.818 20 0 BHADRN CCC[C@@H](C(=O)Nc1ccc(F)cc1)C(C)C ZINC000480086373 528847516 /nfs/dbraw/zinc/84/75/16/528847516.db2.gz CBEZPXDTYLKZFE-CYBMUJFWSA-N 0 0 237.318 3.837 20 0 BHADRN CCC[C@H](C(=O)Nc1ccc(F)cc1)C(C)C ZINC000480086376 527988204 /nfs/dbraw/zinc/98/82/04/527988204.db2.gz CBEZPXDTYLKZFE-ZDUSSCGKSA-N 0 0 237.318 3.837 20 0 BHADRN CCCCN(C(=O)C[C@H](C)CC)[C@H](C)CC ZINC000480086622 528303545 /nfs/dbraw/zinc/30/35/45/528303545.db2.gz OESVCDCOOYWBPE-CHWSQXEVSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCN(C(=O)C[C@H](C)CC)[C@@H](C)CC ZINC000480086623 528302928 /nfs/dbraw/zinc/30/29/28/528302928.db2.gz OESVCDCOOYWBPE-OLZOCXBDSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCN(C(=O)C[C@@H](C)CC)[C@H](C)CC ZINC000480086624 528301613 /nfs/dbraw/zinc/30/16/13/528301613.db2.gz OESVCDCOOYWBPE-QWHCGFSZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCN(C(=O)C[C@@H](C)CC)[C@@H](C)CC ZINC000480086625 528302538 /nfs/dbraw/zinc/30/25/38/528302538.db2.gz OESVCDCOOYWBPE-STQMWFEESA-N 0 0 227.392 3.850 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCCc2ccc(C)cc21 ZINC000480092352 529305949 /nfs/dbraw/zinc/30/59/49/529305949.db2.gz MLNAFFBFVYLHNV-GFCCVEGCSA-N 0 0 245.366 3.710 20 0 BHADRN CC[C@H](C)CC(=O)N1CCCc2ccc(C)cc21 ZINC000480092354 529639811 /nfs/dbraw/zinc/63/98/11/529639811.db2.gz MLNAFFBFVYLHNV-LBPRGKRZSA-N 0 0 245.366 3.710 20 0 BHADRN CN(CC1CC1)c1ccc2ccc(Cl)cc2n1 ZINC000480104863 529862498 /nfs/dbraw/zinc/86/24/98/529862498.db2.gz JLWSEAMBUBPQEH-UHFFFAOYSA-N 0 0 246.741 3.734 20 0 BHADRN Cc1cccc2nc(N3CCC=C(F)C3)sc21 ZINC000480107179 225196746 /nfs/dbraw/zinc/19/67/46/225196746.db2.gz FAPAOSKWMLRIED-UHFFFAOYSA-N 0 0 248.326 3.668 20 0 BHADRN C[C@H]1CCCN1c1ccc2ccc(Cl)cc2n1 ZINC000480112999 225196935 /nfs/dbraw/zinc/19/69/35/225196935.db2.gz KVUVQOBRNONKTF-JTQLQIEISA-N 0 0 246.741 3.877 20 0 BHADRN C[C@@H]1CCCN1c1ccc2ccc(Cl)cc2n1 ZINC000480113000 533720833 /nfs/dbraw/zinc/72/08/33/533720833.db2.gz KVUVQOBRNONKTF-SNVBAGLBSA-N 0 0 246.741 3.877 20 0 BHADRN CCc1csc(Nc2cccc(F)c2)n1 ZINC000480136832 529692381 /nfs/dbraw/zinc/69/23/81/529692381.db2.gz CWDRONFZOQGKMH-UHFFFAOYSA-N 0 0 222.288 3.588 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1CC[C@H](C)[C@@H]1C ZINC000480143003 528903749 /nfs/dbraw/zinc/90/37/49/528903749.db2.gz GGPBXBCUKSOMFT-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1CC[C@@H](C)[C@H]1C ZINC000480143005 528903265 /nfs/dbraw/zinc/90/32/65/528903265.db2.gz GGPBXBCUKSOMFT-MCIONIFRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1CC[C@H](C)[C@H]1C ZINC000480143007 528904050 /nfs/dbraw/zinc/90/40/50/528904050.db2.gz GGPBXBCUKSOMFT-MJBXVCDLSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000480143009 528903666 /nfs/dbraw/zinc/90/36/66/528903666.db2.gz GGPBXBCUKSOMFT-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000480143178 529641817 /nfs/dbraw/zinc/64/18/17/529641817.db2.gz NWQRNNGEEUZTBH-BFHYXJOUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)CC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000480143180 529642557 /nfs/dbraw/zinc/64/25/57/529642557.db2.gz NWQRNNGEEUZTBH-IHRRRGAJSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000480143182 529641750 /nfs/dbraw/zinc/64/17/50/529641750.db2.gz NWQRNNGEEUZTBH-MELADBBJSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)CC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000480143184 529642363 /nfs/dbraw/zinc/64/23/63/529642363.db2.gz NWQRNNGEEUZTBH-MJBXVCDLSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)c1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)cc1 ZINC000480143407 528065795 /nfs/dbraw/zinc/06/57/95/528065795.db2.gz LPSMOZGSXUBOIE-CHWSQXEVSA-N 0 0 245.366 3.681 20 0 BHADRN CC(C)c1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)cc1 ZINC000480143409 528065732 /nfs/dbraw/zinc/06/57/32/528065732.db2.gz LPSMOZGSXUBOIE-OLZOCXBDSA-N 0 0 245.366 3.681 20 0 BHADRN CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@H]2C)cc1 ZINC000480143411 528065991 /nfs/dbraw/zinc/06/59/91/528065991.db2.gz LPSMOZGSXUBOIE-QWHCGFSZSA-N 0 0 245.366 3.681 20 0 BHADRN CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@@H]2C)cc1 ZINC000480143413 528065953 /nfs/dbraw/zinc/06/59/53/528065953.db2.gz LPSMOZGSXUBOIE-STQMWFEESA-N 0 0 245.366 3.681 20 0 BHADRN CN(c1ccc2ccc(Cl)cc2n1)C1CCC1 ZINC000480148879 530035479 /nfs/dbraw/zinc/03/54/79/530035479.db2.gz ZGQOJMPMIIYPIL-UHFFFAOYSA-N 0 0 246.741 3.877 20 0 BHADRN Cc1ccc(N[C@@H](C)CCCC(F)(F)F)nc1 ZINC000480151447 225197942 /nfs/dbraw/zinc/19/79/42/225197942.db2.gz UUAHETNLVMRKQP-JTQLQIEISA-N 0 0 246.276 3.923 20 0 BHADRN Cc1ccc(N[C@H](C)CCCC(F)(F)F)nc1 ZINC000480151448 225197992 /nfs/dbraw/zinc/19/79/92/225197992.db2.gz UUAHETNLVMRKQP-SNVBAGLBSA-N 0 0 246.276 3.923 20 0 BHADRN CCC(CC)CN(CC)C(=O)C1CCCCC1 ZINC000480152620 528737945 /nfs/dbraw/zinc/73/79/45/528737945.db2.gz COPDXCYPJVPSIE-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@H](C)CC(=O)N([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000480167779 529639409 /nfs/dbraw/zinc/63/94/09/529639409.db2.gz SDRRIQXIFWFRHM-AVGNSLFASA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H](C)CC(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000480167780 529639289 /nfs/dbraw/zinc/63/92/89/529639289.db2.gz SDRRIQXIFWFRHM-RWMBFGLXSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](C)[C@H](C)N(C(=O)C[C@@H](C)CC)C1CC1 ZINC000480167781 529411323 /nfs/dbraw/zinc/41/13/23/529411323.db2.gz SDRRIQXIFWFRHM-XQQFMLRXSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](C)[C@@H](C)N(C(=O)C[C@@H](C)CC)C1CC1 ZINC000480167782 529390363 /nfs/dbraw/zinc/39/03/63/529390363.db2.gz SDRRIQXIFWFRHM-YNEHKIRRSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H](C)CC(=O)NCCCCC(C)(C)C ZINC000480170767 529306384 /nfs/dbraw/zinc/30/63/84/529306384.db2.gz JJSHTLRLQVCRJV-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CC[C@H](C)CC(=O)NCCCCC(C)(C)C ZINC000480170770 529640564 /nfs/dbraw/zinc/64/05/64/529640564.db2.gz JJSHTLRLQVCRJV-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN Cc1ccnc(N[C@@H](C)CCCC(F)(F)F)c1 ZINC000480171314 534404004 /nfs/dbraw/zinc/40/40/04/534404004.db2.gz QKODBEYNOUXXOF-JTQLQIEISA-N 0 0 246.276 3.923 20 0 BHADRN Cc1ccnc(N[C@H](C)CCCC(F)(F)F)c1 ZINC000480171316 534406471 /nfs/dbraw/zinc/40/64/71/534406471.db2.gz QKODBEYNOUXXOF-SNVBAGLBSA-N 0 0 246.276 3.923 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000480173671 529307253 /nfs/dbraw/zinc/30/72/53/529307253.db2.gz RTETXJFDNRLUFH-BXUZGUMPSA-N 0 0 247.382 3.917 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000480173677 529641848 /nfs/dbraw/zinc/64/18/48/529641848.db2.gz RTETXJFDNRLUFH-FZMZJTMJSA-N 0 0 247.382 3.917 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000480173678 529307057 /nfs/dbraw/zinc/30/70/57/529307057.db2.gz RTETXJFDNRLUFH-RISCZKNCSA-N 0 0 247.382 3.917 20 0 BHADRN CC[C@H](C)CC(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000480173978 529641871 /nfs/dbraw/zinc/64/18/71/529641871.db2.gz RTETXJFDNRLUFH-SMDDNHRTSA-N 0 0 247.382 3.917 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)CCC1CCCC1 ZINC000480178220 529316637 /nfs/dbraw/zinc/31/66/37/529316637.db2.gz HMUIHCXOCGPICK-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)CCC1CCCC1 ZINC000480178221 529654316 /nfs/dbraw/zinc/65/43/16/529654316.db2.gz HMUIHCXOCGPICK-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)c1ccc(C)cc1C ZINC000480178519 529318501 /nfs/dbraw/zinc/31/85/01/529318501.db2.gz IPNRYGOHABYSKM-GFCCVEGCSA-N 0 0 247.382 3.812 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)c1ccc(C)cc1C ZINC000480178532 529656620 /nfs/dbraw/zinc/65/66/20/529656620.db2.gz IPNRYGOHABYSKM-LBPRGKRZSA-N 0 0 247.382 3.812 20 0 BHADRN CCN(C)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000480179797 529113901 /nfs/dbraw/zinc/11/39/01/529113901.db2.gz LCVUBPPDBXJJRM-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CCc1ccc(C(=O)N(CC)C[C@H](C)CC)cc1 ZINC000480181800 529593572 /nfs/dbraw/zinc/59/35/72/529593572.db2.gz NRTBNKGWRFSMLE-CYBMUJFWSA-N 0 0 247.382 3.757 20 0 BHADRN CCc1ccc(C(=O)N(CC)C[C@@H](C)CC)cc1 ZINC000480181801 529593709 /nfs/dbraw/zinc/59/37/09/529593709.db2.gz NRTBNKGWRFSMLE-ZDUSSCGKSA-N 0 0 247.382 3.757 20 0 BHADRN CCC[C@@H](C)CC(=O)N(CC)C[C@H](C)CC ZINC000480181863 528871287 /nfs/dbraw/zinc/87/12/87/528871287.db2.gz OTOJTLUDUFJTHR-CHWSQXEVSA-N 0 0 227.392 3.707 20 0 BHADRN CCC[C@H](C)CC(=O)N(CC)C[C@H](C)CC ZINC000480181864 528022304 /nfs/dbraw/zinc/02/23/04/528022304.db2.gz OTOJTLUDUFJTHR-OLZOCXBDSA-N 0 0 227.392 3.707 20 0 BHADRN CCC[C@@H](C)CC(=O)N(CC)C[C@@H](C)CC ZINC000480181865 528871000 /nfs/dbraw/zinc/87/10/00/528871000.db2.gz OTOJTLUDUFJTHR-QWHCGFSZSA-N 0 0 227.392 3.707 20 0 BHADRN CCC[C@H](C)CC(=O)N(CC)C[C@@H](C)CC ZINC000480181866 528022865 /nfs/dbraw/zinc/02/28/65/528022865.db2.gz OTOJTLUDUFJTHR-STQMWFEESA-N 0 0 227.392 3.707 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1ccc(F)c(C)c1 ZINC000480183273 529307854 /nfs/dbraw/zinc/30/78/54/529307854.db2.gz RDRQKAMRZIVUCV-SECBINFHSA-N 0 0 223.291 3.509 20 0 BHADRN CC[C@H](C)CC(=O)Nc1ccc(F)c(C)c1 ZINC000480183368 529642738 /nfs/dbraw/zinc/64/27/38/529642738.db2.gz RDRQKAMRZIVUCV-VIFPVBQESA-N 0 0 223.291 3.509 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000480187665 529641884 /nfs/dbraw/zinc/64/18/84/529641884.db2.gz YZTPPAOUDBQWIT-BFHYXJOUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)CC(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000480187666 529642501 /nfs/dbraw/zinc/64/25/01/529642501.db2.gz YZTPPAOUDBQWIT-IHRRRGAJSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000480187667 529641793 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CC(C)[C@H]1N(C(=O)CC2=CCCCC2)CC1(C)C ZINC000480543566 527888159 /nfs/dbraw/zinc/88/81/59/527888159.db2.gz CSBNCLDKEHEXRT-OAHLLOKOSA-N 0 0 249.398 3.770 20 0 BHADRN CCCNc1ccccc1NC(=O)C[C@H](C)CC ZINC000480562477 528572755 /nfs/dbraw/zinc/57/27/55/528572755.db2.gz YYXBTTFUWIJGDE-GFCCVEGCSA-N 0 0 248.370 3.883 20 0 BHADRN CCCNc1ccccc1NC(=O)C[C@@H](C)CC ZINC000480562478 528572401 /nfs/dbraw/zinc/57/24/01/528572401.db2.gz YYXBTTFUWIJGDE-LBPRGKRZSA-N 0 0 248.370 3.883 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CC(C)(C)[C@@H]1C(C)C ZINC000480566134 529234145 /nfs/dbraw/zinc/23/41/45/529234145.db2.gz BJTPKOLYYFHMMH-AVGNSLFASA-N 0 0 239.403 3.562 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CC(C)(C)[C@H]1C(C)C ZINC000480566135 529234274 /nfs/dbraw/zinc/23/42/74/529234274.db2.gz BJTPKOLYYFHMMH-RWMBFGLXSA-N 0 0 239.403 3.562 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1CC(C)(C)[C@@H]1C(C)C ZINC000480566136 529198505 /nfs/dbraw/zinc/19/85/05/529198505.db2.gz BJTPKOLYYFHMMH-XQQFMLRXSA-N 0 0 239.403 3.562 20 0 BHADRN 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BHADRN CCCOc1ccc(NC(=O)C[C@@H](C)CC)cc1 ZINC000480582842 528702605 /nfs/dbraw/zinc/70/26/05/528702605.db2.gz RDIXHMIQAWMUDA-LBPRGKRZSA-N 0 0 249.354 3.850 20 0 BHADRN C[C@@H](C(=O)NC(C)(C)C(C)(C)C)c1ccccc1 ZINC000480597423 533229316 /nfs/dbraw/zinc/22/93/16/533229316.db2.gz JFCRFUOBUMQCJR-GFCCVEGCSA-N 0 0 247.382 3.731 20 0 BHADRN CCC(CC)CN(CC)C(=O)C(CC)CC ZINC000480605145 528738146 /nfs/dbraw/zinc/73/81/46/528738146.db2.gz ATAXKXIQOYQFBC-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)NC(C)(C)C(C)(C)C ZINC000480619060 225204167 /nfs/dbraw/zinc/20/41/67/225204167.db2.gz FLSDQBQYQNLRTM-VXGBXAGGSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)CC1(C)CCCC1 ZINC000480619588 527616826 /nfs/dbraw/zinc/61/68/26/527616826.db2.gz GISCUKFNIMUVPH-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)[C@]1(C)C[C@@H]1C(=O)NC(C)(C)C(C)(C)C ZINC000480621085 527969198 /nfs/dbraw/zinc/96/91/98/527969198.db2.gz IOPLBDJJZZAWDH-ABAIWWIYSA-N 0 0 239.403 3.610 20 0 BHADRN 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ZINC000480702659 528741210 /nfs/dbraw/zinc/74/12/10/528741210.db2.gz MIIBOPYAPMEPPC-GFCCVEGCSA-N 0 0 241.419 3.953 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@H](C)C(C)(C)C ZINC000480702661 528741888 /nfs/dbraw/zinc/74/18/88/528741888.db2.gz MIIBOPYAPMEPPC-LBPRGKRZSA-N 0 0 241.419 3.953 20 0 BHADRN CCc1ccccc1C(=O)NC(C)(C)C(C)(C)C ZINC000480703047 529566849 /nfs/dbraw/zinc/56/68/49/529566849.db2.gz NTUUBNXYTMCDTQ-UHFFFAOYSA-N 0 0 247.382 3.804 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)CC1CC(C)(C)C1 ZINC000480707333 527617671 /nfs/dbraw/zinc/61/76/71/527617671.db2.gz VJKIMBJJZQFEKV-UHFFFAOYSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)CN(CC)C(=O)C1(CC)CCC1 ZINC000480709636 528738522 /nfs/dbraw/zinc/73/85/22/528738522.db2.gz XVUNNHSDSJZABD-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@@H](C)CCC(=O)NC(C)(C)C(C)(C)C ZINC000480713571 529309565 /nfs/dbraw/zinc/30/95/65/529309565.db2.gz FCVRDPJRVVVKOZ-LLVKDONJSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@H](C)CCC(=O)NC(C)(C)C(C)(C)C ZINC000480713572 529645338 /nfs/dbraw/zinc/64/53/38/529645338.db2.gz FCVRDPJRVVVKOZ-NSHDSACASA-N 0 0 227.392 3.754 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)NC(C)(C)C(C)(C)C ZINC000480736204 533718376 /nfs/dbraw/zinc/71/83/76/533718376.db2.gz RQECOMFEUZPBIS-LLVKDONJSA-N 0 0 241.419 4.000 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)NC(C)(C)C(C)(C)C ZINC000480736206 533463459 /nfs/dbraw/zinc/46/34/59/533463459.db2.gz RQECOMFEUZPBIS-NSHDSACASA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NC(C)(C)C(C)(C)C ZINC000480740092 528244261 /nfs/dbraw/zinc/24/42/61/528244261.db2.gz YMCRFWZDZVEEOM-LLVKDONJSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC(C)(C)C(C)(C)C ZINC000480740093 528453095 /nfs/dbraw/zinc/45/30/95/528453095.db2.gz YMCRFWZDZVEEOM-NSHDSACASA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)C[C@@H]1C=CCCC1 ZINC000480745018 527618432 /nfs/dbraw/zinc/61/84/32/527618432.db2.gz CMNKXXLXBYABPD-GFCCVEGCSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)C[C@H]1C=CCCC1 ZINC000480745019 527618961 /nfs/dbraw/zinc/61/89/61/527618961.db2.gz CMNKXXLXBYABPD-LBPRGKRZSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000480747683 527618780 /nfs/dbraw/zinc/61/87/80/527618780.db2.gz JQEWZIAUKAJIRF-LLVKDONJSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000480747684 527618691 /nfs/dbraw/zinc/61/86/91/527618691.db2.gz JQEWZIAUKAJIRF-NSHDSACASA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)NC(C)(C)C(C)(C)C ZINC000480750909 528248306 /nfs/dbraw/zinc/24/83/06/528248306.db2.gz SRYRMLOHEYZOAA-GFCCVEGCSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)C[C@H](C)CC(=O)NC(C)(C)C(C)(C)C ZINC000480750910 528457060 /nfs/dbraw/zinc/45/70/60/528457060.db2.gz SRYRMLOHEYZOAA-LBPRGKRZSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](CC(=O)NC(C)(C)C(C)(C)C)C(C)C ZINC000480768800 529303889 /nfs/dbraw/zinc/30/38/89/529303889.db2.gz XZGMERZRWYNHDU-GFCCVEGCSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@@H](CC(=O)NC(C)(C)C(C)(C)C)C(C)C ZINC000480768801 529449956 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249.398 3.675 20 0 BHADRN CC(C)=CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000480907370 527440482 /nfs/dbraw/zinc/44/04/82/527440482.db2.gz ZLKBUHPYSRIYFA-RBSFLKMASA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)=CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000480907371 527439562 /nfs/dbraw/zinc/43/95/62/527439562.db2.gz ZLKBUHPYSRIYFA-RRFJBIMHSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)=CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000480907372 527439422 /nfs/dbraw/zinc/43/94/22/527439422.db2.gz ZLKBUHPYSRIYFA-SOUVJXGZSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)=CCNC(=O)c1ccc(C2CCC2)cc1 ZINC000480908370 527440961 /nfs/dbraw/zinc/44/09/61/527440961.db2.gz GMRLSCHKKGRQBV-UHFFFAOYSA-N 0 0 243.350 3.650 20 0 BHADRN CC(C)=CCNC(=O)c1cccc2ccsc21 ZINC000480911074 527443212 /nfs/dbraw/zinc/44/32/12/527443212.db2.gz QCCJSSSKPYPVCN-UHFFFAOYSA-N 0 0 245.347 3.597 20 0 BHADRN CC(C)=CCNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000480919530 527434935 /nfs/dbraw/zinc/43/49/35/527434935.db2.gz HDZGURJXACSVAM-CYBMUJFWSA-N 0 0 237.387 3.675 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20 0 BHADRN CCC(CC)N(CC(C)C)C(=O)CCC1CC1 ZINC000481239587 528768817 /nfs/dbraw/zinc/76/88/17/528768817.db2.gz WMEJOWXGWSYSJB-UHFFFAOYSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)Sc1n[nH]c(-c2ccccc2)n1 ZINC000481249725 528068074 /nfs/dbraw/zinc/06/80/74/528068074.db2.gz AICLAMJDZXCADB-JTQLQIEISA-N 0 0 247.367 3.752 20 0 BHADRN CCC[C@@H](C)Sc1n[nH]c(-c2ccccc2)n1 ZINC000481249726 528900524 /nfs/dbraw/zinc/90/05/24/528900524.db2.gz AICLAMJDZXCADB-SNVBAGLBSA-N 0 0 247.367 3.752 20 0 BHADRN CCC[C@@H](C)Sc1ncnc2ccsc21 ZINC000481253066 528900472 /nfs/dbraw/zinc/90/04/72/528900472.db2.gz FABZRMWBXKDQDG-MRVPVSSYSA-N 0 0 238.381 3.972 20 0 BHADRN CCC[C@H](C)Sc1ncnc2ccsc21 ZINC000481253082 528068335 /nfs/dbraw/zinc/06/83/35/528068335.db2.gz FABZRMWBXKDQDG-QMMMGPOBSA-N 0 0 238.381 3.972 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)NCCC(C)(C)C ZINC000481264769 529317071 /nfs/dbraw/zinc/31/70/71/529317071.db2.gz KIWDEDYXEBTVKF-GFCCVEGCSA-N 0 0 242.407 3.500 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)NCCC(C)(C)C 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0 0 227.392 3.563 20 0 BHADRN CCC[C@H](C(=O)N(CC)CC(C)C)C(C)C ZINC000481742799 527969392 /nfs/dbraw/zinc/96/93/92/527969392.db2.gz OINKCZVXUMOPOD-ZDUSSCGKSA-N 0 0 227.392 3.563 20 0 BHADRN Cc1ccc(CSCC(=O)C(C)(C)C)cc1 ZINC000481774962 225218651 /nfs/dbraw/zinc/21/86/51/225218651.db2.gz DSCGDGNYHXCZJJ-UHFFFAOYSA-N 0 0 236.380 3.843 20 0 BHADRN CC(C)(C)C(=O)CSCCc1ccccc1 ZINC000481776915 527564284 /nfs/dbraw/zinc/56/42/84/527564284.db2.gz ITUTYOIFZHVDPA-UHFFFAOYSA-N 0 0 236.380 3.578 20 0 BHADRN CC(C)(C)[C@@H]1CCCN1C(=O)C1=CCCCCC1 ZINC000481809465 526653877 /nfs/dbraw/zinc/65/38/77/526653877.db2.gz JPCVCBABDYLZHE-AWEZNQCLSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)(C)[C@H]1CCCN1C(=O)C1=CCCCCC1 ZINC000481809467 526722260 /nfs/dbraw/zinc/72/22/60/526722260.db2.gz JPCVCBABDYLZHE-CQSZACIVSA-N 0 0 249.398 3.914 20 0 BHADRN CCC[C@@H](CC)NC(=O)N(CCC)CC(C)C ZINC000481875098 528917903 /nfs/dbraw/zinc/91/79/03/528917903.db2.gz WIJQTPFKMNTTPU-CYBMUJFWSA-N 0 0 242.407 3.643 20 0 BHADRN CCC[C@H](CC)NC(=O)N(CCC)CC(C)C ZINC000481875099 528096868 /nfs/dbraw/zinc/09/68/68/528096868.db2.gz WIJQTPFKMNTTPU-ZDUSSCGKSA-N 0 0 242.407 3.643 20 0 BHADRN CCC(CC)C(=O)NCc1ccc(C(C)C)cc1 ZINC000481892025 528724241 /nfs/dbraw/zinc/72/42/41/528724241.db2.gz BDHKBIJSLGHEIC-UHFFFAOYSA-N 0 0 247.382 3.862 20 0 BHADRN CCC[C@@H](C(=O)N(CCC)CCC)C(C)C ZINC000481917839 528837289 /nfs/dbraw/zinc/83/72/89/528837289.db2.gz HKPDQEYKKJSTHE-CYBMUJFWSA-N 0 0 227.392 3.707 20 0 BHADRN CCC[C@H](C(=O)N(CCC)CCC)C(C)C ZINC000481917840 527968988 /nfs/dbraw/zinc/96/89/88/527968988.db2.gz HKPDQEYKKJSTHE-ZDUSSCGKSA-N 0 0 227.392 3.707 20 0 BHADRN CCC[C@H](C(=O)N1CCc2ccccc21)C(C)C ZINC000481923869 527976014 /nfs/dbraw/zinc/97/60/14/527976014.db2.gz TWYKRKQZGSFAHQ-AWEZNQCLSA-N 0 0 245.366 3.648 20 0 BHADRN CCC[C@@H](C(=O)N1CCc2ccccc21)C(C)C ZINC000481923871 528841504 /nfs/dbraw/zinc/84/15/04/528841504.db2.gz TWYKRKQZGSFAHQ-CQSZACIVSA-N 0 0 245.366 3.648 20 0 BHADRN CCCCNC(=O)Nc1ccc(C2CC2)c(C)c1 ZINC000481926447 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C[C@H]1CCSCC[N@@H+]1C/C=C\c1ccccc1 ZINC000483422435 225242815 /nfs/dbraw/zinc/24/28/15/225242815.db2.gz QIBTXOXDZDEYSX-PODYEWJSSA-N 0 0 247.407 3.527 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CC2CCC1CC2 ZINC000483423053 528029946 /nfs/dbraw/zinc/02/99/46/528029946.db2.gz XKYKSQCZFVKFQZ-ABXWRUBCSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@@H]1CC2CCC1CC2 ZINC000483423055 528874898 /nfs/dbraw/zinc/87/48/98/528874898.db2.gz XKYKSQCZFVKFQZ-BLYZHGLHSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CC2CCC1CC2 ZINC000483423057 528029793 /nfs/dbraw/zinc/02/97/93/528029793.db2.gz XKYKSQCZFVKFQZ-GFJIZPEISA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H]1CC2CCC1CC2 ZINC000483423058 528875843 /nfs/dbraw/zinc/87/58/43/528875843.db2.gz XKYKSQCZFVKFQZ-RYSNWHEDSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@](C)(CC)CCC ZINC000483425060 528103715 /nfs/dbraw/zinc/10/37/15/528103715.db2.gz GRMAEVSNABZDOQ-GXTWGEPZSA-N 0 0 227.392 3.898 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@@](C)(CC)CCC ZINC000483425061 528103151 /nfs/dbraw/zinc/10/31/51/528103151.db2.gz GRMAEVSNABZDOQ-JSGCOSHPSA-N 0 0 227.392 3.898 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@@](C)(CC)CCC ZINC000483425062 528922111 /nfs/dbraw/zinc/92/21/11/528922111.db2.gz GRMAEVSNABZDOQ-OCCSQVGLSA-N 0 0 227.392 3.898 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@](C)(CC)CCC ZINC000483425064 528922196 /nfs/dbraw/zinc/92/21/96/528922196.db2.gz GRMAEVSNABZDOQ-TZMCWYRMSA-N 0 0 227.392 3.898 20 0 BHADRN O=C(N[C@H]1CC2CCC1CC2)C1=CCCCCC1 ZINC000483427496 225243873 /nfs/dbraw/zinc/24/38/73/225243873.db2.gz CNELQRAPVWXZHJ-PIMMBPRGSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(N[C@@H]1CC2CCC1CC2)C1=CCCCCC1 ZINC000483427498 225244021 /nfs/dbraw/zinc/24/40/21/225244021.db2.gz CNELQRAPVWXZHJ-SSDMNJCBSA-N 0 0 247.382 3.572 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1ccoc1C(C)C ZINC000483428173 528921868 /nfs/dbraw/zinc/92/18/68/528921868.db2.gz BXCLNHIZOWROTB-LLVKDONJSA-N 0 0 237.343 3.712 20 0 BHADRN CCC[C@H](CC)NC(=O)c1ccoc1C(C)C ZINC000483428174 528104784 /nfs/dbraw/zinc/10/47/84/528104784.db2.gz BXCLNHIZOWROTB-NSHDSACASA-N 0 0 237.343 3.712 20 0 BHADRN CCC1(C(=O)N[C@@H]2CC3CCC2CC3)CCCC1 ZINC000483431301 529004711 /nfs/dbraw/zinc/00/47/11/529004711.db2.gz PWAKCOFDDRWRLE-JXQTWKCFSA-N 0 0 249.398 3.652 20 0 BHADRN CCC1(C(=O)N[C@H]2CC3CCC2CC3)CCCC1 ZINC000483431303 529008391 /nfs/dbraw/zinc/00/83/91/529008391.db2.gz PWAKCOFDDRWRLE-RUXDESIVSA-N 0 0 249.398 3.652 20 0 BHADRN CCCN(CC)C(=O)c1cc2cc(C)ccc2o1 ZINC000483441746 527960405 /nfs/dbraw/zinc/96/04/05/527960405.db2.gz SLACWDLWXMBLMF-UHFFFAOYSA-N 0 0 245.322 3.613 20 0 BHADRN CCCN(CC(F)F)C(=O)[C@](C)(CC)CCC ZINC000483443375 527935917 /nfs/dbraw/zinc/93/59/17/527935917.db2.gz WLSWILZBBSAEQL-CYBMUJFWSA-N 0 0 249.345 3.707 20 0 BHADRN CCCN(CC(F)F)C(=O)[C@@](C)(CC)CCC ZINC000483443376 527934789 /nfs/dbraw/zinc/93/47/89/527934789.db2.gz WLSWILZBBSAEQL-ZDUSSCGKSA-N 0 0 249.345 3.707 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)Nc1cccnc1 ZINC000483459372 528793306 /nfs/dbraw/zinc/79/33/06/528793306.db2.gz HPAQEXSXOZQSRG-GFCCVEGCSA-N 0 0 249.358 3.562 20 0 BHADRN CCCC[C@H](CCC)NC(=O)Nc1cccnc1 ZINC000483459373 528925860 /nfs/dbraw/zinc/92/58/60/528925860.db2.gz HPAQEXSXOZQSRG-LBPRGKRZSA-N 0 0 249.358 3.562 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1CC2CCC1CC2 ZINC000483459912 533779300 /nfs/dbraw/zinc/77/93/00/533779300.db2.gz OYMQYZOCJVKGHL-BZTHDZJNSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CC2CCC1CC2 ZINC000483459914 533886464 /nfs/dbraw/zinc/88/64/64/533886464.db2.gz OYMQYZOCJVKGHL-NNZPWHBESA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1CC2CCC1CC2 ZINC000483459915 533779549 /nfs/dbraw/zinc/77/95/49/533779549.db2.gz OYMQYZOCJVKGHL-RUOPDXTDSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)N[C@H]1CC2CCC1CC2 ZINC000483459917 533886069 /nfs/dbraw/zinc/88/60/69/533886069.db2.gz OYMQYZOCJVKGHL-UWMJVVDFSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)N[C@@H]1CC2CCC1CC2 ZINC000483461658 528987648 /nfs/dbraw/zinc/98/76/48/528987648.db2.gz UHIYSMIHHJGODQ-CLRIEMFWSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)N[C@H]1CC2CCC1CC2 ZINC000483461659 528987742 /nfs/dbraw/zinc/98/77/42/528987742.db2.gz UHIYSMIHHJGODQ-HOAMVYINSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CC2CCC1CC2 ZINC000483461660 528963042 /nfs/dbraw/zinc/96/30/42/528963042.db2.gz UHIYSMIHHJGODQ-NWINJMCUSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)N[C@H]1CC2CCC1CC2 ZINC000483461661 528962836 /nfs/dbraw/zinc/96/28/36/528962836.db2.gz UHIYSMIHHJGODQ-PQAZSJQKSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)CCC(=O)N[C@H]1CC2CCC1CC2 ZINC000483474233 527652020 /nfs/dbraw/zinc/65/20/20/527652020.db2.gz JNNWYDSOIFLREC-BPCQOVAHSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)CCC(=O)N[C@@H]1CC2CCC1CC2 ZINC000483474234 527652729 /nfs/dbraw/zinc/65/27/29/527652729.db2.gz JNNWYDSOIFLREC-WXRRBKDZSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)N(C(C)C)C(C)C ZINC000483487615 529203120 /nfs/dbraw/zinc/20/31/20/529203120.db2.gz RHGLNSQVUBCEIZ-KBPBESRZSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N(C(C)C)C(C)C ZINC000483487617 529274678 /nfs/dbraw/zinc/27/46/78/529274678.db2.gz RHGLNSQVUBCEIZ-KGLIPLIRSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)N(C(C)C)C(C)C ZINC000483487618 529208361 /nfs/dbraw/zinc/20/83/61/529208361.db2.gz RHGLNSQVUBCEIZ-UONOGXRCSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N(C(C)C)C(C)C ZINC000483487620 529284921 /nfs/dbraw/zinc/28/49/21/529284921.db2.gz RHGLNSQVUBCEIZ-ZIAGYGMSSA-N 0 0 239.403 3.848 20 0 BHADRN O=C(N[C@H]1CC2CCC1CC2)C1CCCCCC1 ZINC000483533672 225245113 /nfs/dbraw/zinc/24/51/13/225245113.db2.gz QGTYYIJWOSPYMJ-PIMMBPRGSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(N[C@@H]1CC2CCC1CC2)C1CCCCCC1 ZINC000483533674 225245832 /nfs/dbraw/zinc/24/58/32/225245832.db2.gz QGTYYIJWOSPYMJ-SSDMNJCBSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CC[C@H](C(=O)N[C@@H]2CC3CCC2CC3)C1 ZINC000483534508 529036059 /nfs/dbraw/zinc/03/60/59/529036059.db2.gz SCGGTSAUZCTRMU-CLRIEMFWSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CC[C@H](C(=O)N[C@H]2CC3CCC2CC3)C1 ZINC000483534509 529036916 /nfs/dbraw/zinc/03/69/16/529036916.db2.gz SCGGTSAUZCTRMU-HOAMVYINSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CC[C@@H](C(=O)N[C@@H]2CC3CCC2CC3)C1 ZINC000483534510 529016896 /nfs/dbraw/zinc/01/68/96/529016896.db2.gz SCGGTSAUZCTRMU-NWINJMCUSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CC[C@@H](C(=O)N[C@H]2CC3CCC2CC3)C1 ZINC000483534511 529017885 /nfs/dbraw/zinc/01/78/85/529017885.db2.gz SCGGTSAUZCTRMU-PQAZSJQKSA-N 0 0 249.398 3.508 20 0 BHADRN O=C(CC1=CCCCC1)N[C@H]1CC2CCC1CC2 ZINC000483552925 534820241 /nfs/dbraw/zinc/82/02/41/534820241.db2.gz WDHMUHUATGNLSE-NRXISQOPSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(CC1=CCCCC1)N[C@@H]1CC2CCC1CC2 ZINC000483552926 534818723 /nfs/dbraw/zinc/81/87/23/534818723.db2.gz WDHMUHUATGNLSE-YMAMQOFZSA-N 0 0 247.382 3.572 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCCCC[C@@H]1C ZINC000483564158 527880020 /nfs/dbraw/zinc/88/00/20/527880020.db2.gz RXPVOEGJFFKXNM-DZGCQCFKSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCCCC[C@H]1C ZINC000483564159 528446831 /nfs/dbraw/zinc/44/68/31/528446831.db2.gz RXPVOEGJFFKXNM-HIFRSBDPSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1CCCCC[C@H]1C ZINC000483564160 527878923 /nfs/dbraw/zinc/87/89/23/527878923.db2.gz RXPVOEGJFFKXNM-UKRRQHHQSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCCCC[C@@H]1C ZINC000483564161 528445902 /nfs/dbraw/zinc/44/59/02/528445902.db2.gz RXPVOEGJFFKXNM-ZFWWWQNUSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(C)C1CCCCC1 ZINC000483615592 528766067 /nfs/dbraw/zinc/76/60/67/528766067.db2.gz CGYYFOKMUNZUGW-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@H](CC)C(=O)N(C)C1CCCCC1 ZINC000483615594 528897671 /nfs/dbraw/zinc/89/76/71/528897671.db2.gz CGYYFOKMUNZUGW-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000483618463 528448078 /nfs/dbraw/zinc/44/80/78/528448078.db2.gz DHBYLZPMOLMSGJ-GUTXKFCHSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000483618465 528447827 /nfs/dbraw/zinc/44/78/27/528447827.db2.gz DHBYLZPMOLMSGJ-IPYPFGDCSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000483618468 528447293 /nfs/dbraw/zinc/44/72/93/528447293.db2.gz DHBYLZPMOLMSGJ-NFAWXSAZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000483618470 528447932 /nfs/dbraw/zinc/44/79/32/528447932.db2.gz DHBYLZPMOLMSGJ-YDHLFZDLSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](CC)C(=O)NCC1CCCCC1 ZINC000483629845 528899962 /nfs/dbraw/zinc/89/99/62/528899962.db2.gz FSWLYAHINPJMIW-AWEZNQCLSA-N 0 0 239.403 3.899 20 0 BHADRN CCCC[C@@H](CC)C(=O)NCC1CCCCC1 ZINC000483629846 528769434 /nfs/dbraw/zinc/76/94/34/528769434.db2.gz FSWLYAHINPJMIW-CQSZACIVSA-N 0 0 239.403 3.899 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@H]1CCC(F)(F)C1 ZINC000483656389 528635330 /nfs/dbraw/zinc/63/53/30/528635330.db2.gz ZHUKGYJFQUDLLA-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000483656396 528635099 /nfs/dbraw/zinc/63/50/99/528635099.db2.gz ZHUKGYJFQUDLLA-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000483714639 528449326 /nfs/dbraw/zinc/44/93/26/528449326.db2.gz UZGFOMNIAKEVMP-GUTXKFCHSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000483714641 528449363 /nfs/dbraw/zinc/44/93/63/528449363.db2.gz UZGFOMNIAKEVMP-IPYPFGDCSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000483714643 528449044 /nfs/dbraw/zinc/44/90/44/528449044.db2.gz UZGFOMNIAKEVMP-NFAWXSAZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000483714644 528448708 /nfs/dbraw/zinc/44/87/08/528448708.db2.gz UZGFOMNIAKEVMP-YDHLFZDLSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000483751051 528901193 /nfs/dbraw/zinc/90/11/93/528901193.db2.gz AYUZOXBEVDWFAU-HZSPNIEDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000483751052 528902265 /nfs/dbraw/zinc/90/22/65/528902265.db2.gz AYUZOXBEVDWFAU-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000483751054 528901889 /nfs/dbraw/zinc/90/18/89/528901889.db2.gz AYUZOXBEVDWFAU-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CC)C(=O)N[C@H]1CCCC[C@H]1C ZINC000483751055 528902781 /nfs/dbraw/zinc/90/27/81/528902781.db2.gz AYUZOXBEVDWFAU-RDBSUJKOSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1cc(C)c(CNc2ncccc2F)cc1C ZINC000483838218 225246648 /nfs/dbraw/zinc/24/66/48/225246648.db2.gz QJUOLABIFYVTIL-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN CCN(C(=O)[C@H]1CCCC1(C)C)[C@H](C)C(C)C ZINC000483956617 529061534 /nfs/dbraw/zinc/06/15/34/529061534.db2.gz GSVIXEJYCQBZQD-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN CCN(C(=O)[C@@H]1CCCC1(C)C)[C@H](C)C(C)C ZINC000483956619 529042210 /nfs/dbraw/zinc/04/22/10/529042210.db2.gz GSVIXEJYCQBZQD-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CCN(C(=O)[C@H]1CCCC1(C)C)[C@@H](C)C(C)C ZINC000483956621 529061445 /nfs/dbraw/zinc/06/14/45/529061445.db2.gz GSVIXEJYCQBZQD-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN CCN(C(=O)[C@@H]1CCCC1(C)C)[C@@H](C)C(C)C ZINC000483956623 529043014 /nfs/dbraw/zinc/04/30/14/529043014.db2.gz GSVIXEJYCQBZQD-STQMWFEESA-N 0 0 239.403 3.706 20 0 BHADRN CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)[C@H](C)C(C)C ZINC000483962038 529048571 /nfs/dbraw/zinc/04/85/71/529048571.db2.gz QESPGCPMZXXEQG-IPYPFGDCSA-N 0 0 239.403 3.562 20 0 BHADRN CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)[C@@H](C)C(C)C ZINC000483962041 529050492 /nfs/dbraw/zinc/05/04/92/529050492.db2.gz QESPGCPMZXXEQG-KCQAQPDRSA-N 0 0 239.403 3.562 20 0 BHADRN CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)[C@H](C)C(C)C ZINC000483962045 529050854 /nfs/dbraw/zinc/05/08/54/529050854.db2.gz QESPGCPMZXXEQG-VNHYZAJKSA-N 0 0 239.403 3.562 20 0 BHADRN CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)[C@@H](C)C(C)C ZINC000483962048 529048488 /nfs/dbraw/zinc/04/84/88/529048488.db2.gz QESPGCPMZXXEQG-YDHLFZDLSA-N 0 0 239.403 3.562 20 0 BHADRN CCN(C(=O)[C@H](C)CC(C)(C)C)[C@H](C)C(C)C ZINC000483965395 529052066 /nfs/dbraw/zinc/05/20/66/529052066.db2.gz ZSJNHKKYAPASJE-CHWSQXEVSA-N 0 0 241.419 3.952 20 0 BHADRN CCN(C(=O)[C@H](C)CC(C)(C)C)[C@@H](C)C(C)C ZINC000483965396 529052006 /nfs/dbraw/zinc/05/20/06/529052006.db2.gz ZSJNHKKYAPASJE-OLZOCXBDSA-N 0 0 241.419 3.952 20 0 BHADRN CCN(C(=O)[C@@H](C)CC(C)(C)C)[C@H](C)C(C)C ZINC000483965398 529034007 /nfs/dbraw/zinc/03/40/07/529034007.db2.gz ZSJNHKKYAPASJE-QWHCGFSZSA-N 0 0 241.419 3.952 20 0 BHADRN CCN(C(=O)[C@@H](C)CC(C)(C)C)[C@@H](C)C(C)C ZINC000483965399 529033817 /nfs/dbraw/zinc/03/38/17/529033817.db2.gz ZSJNHKKYAPASJE-STQMWFEESA-N 0 0 241.419 3.952 20 0 BHADRN CCCCCN(CC1CCC1)CC(F)(F)F ZINC000483968491 528167594 /nfs/dbraw/zinc/16/75/94/528167594.db2.gz BXUQVNLTGKSXQY-UHFFFAOYSA-N 0 0 237.309 3.841 20 0 BHADRN CCC[C@](C)(CC)C(=O)N(C)[C@H](C)C1CCC1 ZINC000483983475 528446362 /nfs/dbraw/zinc/44/63/62/528446362.db2.gz RSVUPEVBBQWTEZ-DOMZBBRYSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N(C)[C@H](C)C1CCC1 ZINC000483983477 527878988 /nfs/dbraw/zinc/87/89/88/527878988.db2.gz RSVUPEVBBQWTEZ-IUODEOHRSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N(C)[C@@H](C)C1CCC1 ZINC000483983481 527879820 /nfs/dbraw/zinc/87/98/20/527879820.db2.gz RSVUPEVBBQWTEZ-SWLSCSKDSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@](C)(CC)C(=O)N(C)[C@@H](C)C1CCC1 ZINC000483983485 528446665 /nfs/dbraw/zinc/44/66/65/528446665.db2.gz RSVUPEVBBQWTEZ-WFASDCNBSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)N(CC)CCC ZINC000483991185 528789174 /nfs/dbraw/zinc/78/91/74/528789174.db2.gz ZIUSOPWCXBTWIQ-CYBMUJFWSA-N 0 0 242.407 3.787 20 0 BHADRN CCCC[C@H](CCC)NC(=O)N(CC)CCC ZINC000483991186 528922699 /nfs/dbraw/zinc/92/26/99/528922699.db2.gz ZIUSOPWCXBTWIQ-ZDUSSCGKSA-N 0 0 242.407 3.787 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)N(C)CC(C)C ZINC000483996894 528789552 /nfs/dbraw/zinc/78/95/52/528789552.db2.gz XDZHLFZUWCLAFA-CYBMUJFWSA-N 0 0 242.407 3.643 20 0 BHADRN CCCC[C@H](CCC)NC(=O)N(C)CC(C)C ZINC000483996895 528922392 /nfs/dbraw/zinc/92/23/92/528922392.db2.gz XDZHLFZUWCLAFA-ZDUSSCGKSA-N 0 0 242.407 3.643 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)N(C)CCCC ZINC000483997547 528789997 /nfs/dbraw/zinc/78/99/97/528789997.db2.gz ZUPUYQKXJUYKQC-CYBMUJFWSA-N 0 0 242.407 3.787 20 0 BHADRN CCCC[C@H](CCC)NC(=O)N(C)CCCC ZINC000483997549 528922562 /nfs/dbraw/zinc/92/25/62/528922562.db2.gz ZUPUYQKXJUYKQC-ZDUSSCGKSA-N 0 0 242.407 3.787 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)N(C)[C@H](C)CC ZINC000483997615 528789276 /nfs/dbraw/zinc/78/92/76/528789276.db2.gz ZURZCHOMECUUFP-CHWSQXEVSA-N 0 0 242.407 3.785 20 0 BHADRN CCCC[C@H](CCC)NC(=O)N(C)[C@H](C)CC ZINC000483997616 528922416 /nfs/dbraw/zinc/92/24/16/528922416.db2.gz ZURZCHOMECUUFP-OLZOCXBDSA-N 0 0 242.407 3.785 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)N(C)[C@@H](C)CC ZINC000483997617 528790073 /nfs/dbraw/zinc/79/00/73/528790073.db2.gz ZURZCHOMECUUFP-QWHCGFSZSA-N 0 0 242.407 3.785 20 0 BHADRN CCCC[C@H](CCC)NC(=O)N(C)[C@@H](C)CC ZINC000483997618 528922199 /nfs/dbraw/zinc/92/21/99/528922199.db2.gz ZURZCHOMECUUFP-STQMWFEESA-N 0 0 242.407 3.785 20 0 BHADRN CC(C)N(C(=O)[C@H](C)CC(C)(C)C)C(C)C ZINC000484044794 528783584 /nfs/dbraw/zinc/78/35/84/528783584.db2.gz PGULMHVZKVSLFK-GFCCVEGCSA-N 0 0 227.392 3.704 20 0 BHADRN CC(C)N(C(=O)[C@@H](C)CC(C)(C)C)C(C)C ZINC000484044795 528780936 /nfs/dbraw/zinc/78/09/36/528780936.db2.gz PGULMHVZKVSLFK-LBPRGKRZSA-N 0 0 227.392 3.704 20 0 BHADRN CCOc1ccccc1N(C)Cc1cccs1 ZINC000484094886 528735934 /nfs/dbraw/zinc/73/59/34/528735934.db2.gz HWJCXTJAJAZXKH-UHFFFAOYSA-N 0 0 247.363 3.783 20 0 BHADRN CCC[C@H](C(=O)N[C@@H](C)[C@H](C)CC)C(C)C ZINC000484097304 527984133 /nfs/dbraw/zinc/98/41/33/527984133.db2.gz LAEHERFNBMNSJT-AGIUHOORSA-N 0 0 227.392 3.610 20 0 BHADRN CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)CC)C(C)C ZINC000484097305 527983112 /nfs/dbraw/zinc/98/31/12/527983112.db2.gz LAEHERFNBMNSJT-AVGNSLFASA-N 0 0 227.392 3.610 20 0 BHADRN CCC[C@H](C(=O)N[C@H](C)[C@H](C)CC)C(C)C ZINC000484097306 527985987 /nfs/dbraw/zinc/98/59/87/527985987.db2.gz LAEHERFNBMNSJT-UPJWGTAASA-N 0 0 227.392 3.610 20 0 BHADRN CCC[C@H](C(=O)N[C@H](C)[C@@H](C)CC)C(C)C ZINC000484097307 527985574 /nfs/dbraw/zinc/98/55/74/527985574.db2.gz LAEHERFNBMNSJT-XQQFMLRXSA-N 0 0 227.392 3.610 20 0 BHADRN CCCN(C(=O)[C@H](C)c1ccccc1)C(C)(C)C ZINC000484325979 527778704 /nfs/dbraw/zinc/77/87/04/527778704.db2.gz QPEBKRBCBOFMMX-CYBMUJFWSA-N 0 0 247.382 3.827 20 0 BHADRN CCCN(C(=O)[C@@H](C)c1ccccc1)C(C)(C)C ZINC000484325981 527772881 /nfs/dbraw/zinc/77/28/81/527772881.db2.gz QPEBKRBCBOFMMX-ZDUSSCGKSA-N 0 0 247.382 3.827 20 0 BHADRN CCCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)C(C)(C)C ZINC000484326536 527781600 /nfs/dbraw/zinc/78/16/00/527781600.db2.gz SCWZPFKFPAQHTJ-DOMZBBRYSA-N 0 0 239.403 3.706 20 0 BHADRN CCCN(C(=O)[C@H]1C[C@]1(C)C(C)C)C(C)(C)C ZINC000484326537 527781172 /nfs/dbraw/zinc/78/11/72/527781172.db2.gz SCWZPFKFPAQHTJ-IUODEOHRSA-N 0 0 239.403 3.706 20 0 BHADRN CCCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)C(C)(C)C ZINC000484326538 527778017 /nfs/dbraw/zinc/77/80/17/527778017.db2.gz SCWZPFKFPAQHTJ-SWLSCSKDSA-N 0 0 239.403 3.706 20 0 BHADRN CCCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)C(C)(C)C ZINC000484326539 527776658 /nfs/dbraw/zinc/77/66/58/527776658.db2.gz SCWZPFKFPAQHTJ-WFASDCNBSA-N 0 0 239.403 3.706 20 0 BHADRN CCCN(C(=O)[C@H]1CCCC1(C)C)C(C)(C)C ZINC000484326552 527780397 /nfs/dbraw/zinc/78/03/97/527780397.db2.gz SGHPQCKREAOQEV-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCN(C(=O)[C@@H]1CCCC1(C)C)C(C)(C)C ZINC000484326553 527774758 /nfs/dbraw/zinc/77/47/58/527774758.db2.gz SGHPQCKREAOQEV-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCc1cc(NC(=O)NCC=C(C)C)ccc1C ZINC000484358990 529546083 /nfs/dbraw/zinc/54/60/83/529546083.db2.gz IVPWPEWOCLHGLU-UHFFFAOYSA-N 0 0 246.354 3.645 20 0 BHADRN CCC[C@@H](C(=O)N(C)[C@H](C)C(C)C)C(C)C ZINC000484458799 528837617 /nfs/dbraw/zinc/83/76/17/528837617.db2.gz NWCGXSOFIUSYPK-CHWSQXEVSA-N 0 0 227.392 3.562 20 0 BHADRN CCC[C@H](C(=O)N(C)[C@H](C)C(C)C)C(C)C ZINC000484458800 527969981 /nfs/dbraw/zinc/96/99/81/527969981.db2.gz NWCGXSOFIUSYPK-OLZOCXBDSA-N 0 0 227.392 3.562 20 0 BHADRN CCC[C@@H](C(=O)N(C)[C@@H](C)C(C)C)C(C)C ZINC000484458801 528837307 /nfs/dbraw/zinc/83/73/07/528837307.db2.gz NWCGXSOFIUSYPK-QWHCGFSZSA-N 0 0 227.392 3.562 20 0 BHADRN CCC[C@H](C(=O)N(C)[C@@H](C)C(C)C)C(C)C ZINC000484458802 527969524 /nfs/dbraw/zinc/96/95/24/527969524.db2.gz NWCGXSOFIUSYPK-STQMWFEESA-N 0 0 227.392 3.562 20 0 BHADRN CCc1ccc(NC(=O)NCC=C(C)C)cc1C ZINC000484471057 529681310 /nfs/dbraw/zinc/68/13/10/529681310.db2.gz UIAAKSYDQOSQOC-UHFFFAOYSA-N 0 0 246.354 3.645 20 0 BHADRN CC1(C)CC[C@@H](CSc2ccccc2F)O1 ZINC000484482766 529025189 /nfs/dbraw/zinc/02/51/89/529025189.db2.gz KTPSKKAZHGKEHW-JTQLQIEISA-N 0 0 240.343 3.875 20 0 BHADRN CC1(C)CC[C@H](CSc2ccccc2F)O1 ZINC000484482767 529043842 /nfs/dbraw/zinc/04/38/42/529043842.db2.gz KTPSKKAZHGKEHW-SNVBAGLBSA-N 0 0 240.343 3.875 20 0 BHADRN CC1(C)CC[C@H](CSc2ccc(F)cc2)O1 ZINC000484497134 529044074 /nfs/dbraw/zinc/04/40/74/529044074.db2.gz IVBVZCRJRLBBKW-LLVKDONJSA-N 0 0 240.343 3.875 20 0 BHADRN CC1(C)CC[C@@H](CSc2ccc(F)cc2)O1 ZINC000484497136 529024296 /nfs/dbraw/zinc/02/42/96/529024296.db2.gz IVBVZCRJRLBBKW-NSHDSACASA-N 0 0 240.343 3.875 20 0 BHADRN CCC[C@@H](C(=O)NCCC(C)(C)C)C(C)C ZINC000484537668 528842302 /nfs/dbraw/zinc/84/23/02/528842302.db2.gz UVXYLINVYZXWMD-GFCCVEGCSA-N 0 0 227.392 3.611 20 0 BHADRN CCC[C@H](C(=O)NCCC(C)(C)C)C(C)C ZINC000484537669 527977863 /nfs/dbraw/zinc/97/78/63/527977863.db2.gz UVXYLINVYZXWMD-LBPRGKRZSA-N 0 0 227.392 3.611 20 0 BHADRN CCCNC(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000484564133 528331415 /nfs/dbraw/zinc/33/14/15/528331415.db2.gz MHHZMIAZXYPHGT-AATRIKPKSA-N 0 0 245.366 3.740 20 0 BHADRN CCCNC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000484564140 528331659 /nfs/dbraw/zinc/33/16/59/528331659.db2.gz MHHZMIAZXYPHGT-WAYWQWQTSA-N 0 0 245.366 3.740 20 0 BHADRN Fc1cccc(CCCSc2ccncc2)c1 ZINC000484565112 225251515 /nfs/dbraw/zinc/25/15/15/225251515.db2.gz BRBSQLCZWBQIPT-UHFFFAOYSA-N 0 0 247.338 3.946 20 0 BHADRN N#CN(Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000484592811 225251561 /nfs/dbraw/zinc/25/15/61/225251561.db2.gz SLDTTXSTXRMYQJ-UHFFFAOYSA-N 0 0 248.329 3.663 20 0 BHADRN CC(C)CCCSCc1ccc(CO)cc1 ZINC000484620678 527705205 /nfs/dbraw/zinc/70/52/05/527705205.db2.gz PRBIDNZWMWYGJA-UHFFFAOYSA-N 0 0 238.396 3.848 20 0 BHADRN CCCc1nccn1CCCc1cccc(F)c1 ZINC000484665267 528769658 /nfs/dbraw/zinc/76/96/58/528769658.db2.gz UUQPYQOKFPCBKG-UHFFFAOYSA-N 0 0 246.329 3.608 20 0 BHADRN CCOCCSCCCc1cccc(F)c1 ZINC000484667206 528858169 /nfs/dbraw/zinc/85/81/69/528858169.db2.gz ZIRVCOPUMBCQMP-UHFFFAOYSA-N 0 0 242.359 3.528 20 0 BHADRN COC[C@H](CC(C)C)Nc1ccc(C)c(C)c1 ZINC000484708316 225251784 /nfs/dbraw/zinc/25/17/84/225251784.db2.gz JWBPWRFIMIVING-HNNXBMFYSA-N 0 0 235.371 3.776 20 0 BHADRN COC[C@@H](CC(C)C)Nc1ccc(C)c(C)c1 ZINC000484708321 225250696 /nfs/dbraw/zinc/25/06/96/225250696.db2.gz JWBPWRFIMIVING-OAHLLOKOSA-N 0 0 235.371 3.776 20 0 BHADRN Fc1cccc(CCCSc2ccccn2)c1 ZINC000484712237 225251677 /nfs/dbraw/zinc/25/16/77/225251677.db2.gz FWTNPRIUYFNDKE-UHFFFAOYSA-N 0 0 247.338 3.946 20 0 BHADRN CCCC[C@@H](COC)Nc1ccc(C)c(C)c1 ZINC000484713992 528833428 /nfs/dbraw/zinc/83/34/28/528833428.db2.gz ZYVKRQUGZKRRBW-HNNXBMFYSA-N 0 0 235.371 3.921 20 0 BHADRN CCCC[C@H](COC)Nc1ccc(C)c(C)c1 ZINC000484713994 528968786 /nfs/dbraw/zinc/96/87/86/528968786.db2.gz ZYVKRQUGZKRRBW-OAHLLOKOSA-N 0 0 235.371 3.921 20 0 BHADRN c1ccc(SCc2ccc3c(c2)CCC3)nc1 ZINC000484717637 225251088 /nfs/dbraw/zinc/25/10/88/225251088.db2.gz XZOYPRGPUDBVCS-UHFFFAOYSA-N 0 0 241.359 3.863 20 0 BHADRN CC[C@H](COC)Nc1ccc(C2CC2)c(C)c1 ZINC000484724737 529399564 /nfs/dbraw/zinc/39/95/64/529399564.db2.gz DURHAQPPYMWSJJ-CYBMUJFWSA-N 0 0 233.355 3.709 20 0 BHADRN CC[C@@H](COC)Nc1ccc(C2CC2)c(C)c1 ZINC000484724740 529520637 /nfs/dbraw/zinc/52/06/37/529520637.db2.gz DURHAQPPYMWSJJ-ZDUSSCGKSA-N 0 0 233.355 3.709 20 0 BHADRN CC(C)OCCOc1cccc(C(C)C)c1 ZINC000484773439 527983208 /nfs/dbraw/zinc/98/32/08/527983208.db2.gz ZTXXVQJURAHTNU-UHFFFAOYSA-N 0 0 222.328 3.614 20 0 BHADRN CCC[C@@H](C)N(C)c1ncnc2cccc(C)c21 ZINC000484805441 528889619 /nfs/dbraw/zinc/88/96/19/528889619.db2.gz GSMXBKNDURCJPE-GFCCVEGCSA-N 0 0 243.354 3.563 20 0 BHADRN CCC[C@H](C)N(C)c1ncnc2cccc(C)c21 ZINC000484805446 528048880 /nfs/dbraw/zinc/04/88/80/528048880.db2.gz GSMXBKNDURCJPE-LBPRGKRZSA-N 0 0 243.354 3.563 20 0 BHADRN Cc1cccc2ncnc(NC3(C)CCCC3)c12 ZINC000484818282 534787594 /nfs/dbraw/zinc/78/75/94/534787594.db2.gz FFDRKONHXZPFOP-UHFFFAOYSA-N 0 0 241.338 3.683 20 0 BHADRN CCCCN[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000484854100 528555442 /nfs/dbraw/zinc/55/54/42/528555442.db2.gz FIXOHVKWLHTVHK-LLVKDONJSA-N 0 0 249.251 3.819 20 0 BHADRN CCCC1CCC(N(C)CC(F)(F)F)CC1 ZINC000484895850 528070150 /nfs/dbraw/zinc/07/01/50/528070150.db2.gz UVVZNOVLTLLJDH-UHFFFAOYSA-N 0 0 237.309 3.839 20 0 BHADRN CCC(CC)N(CC(C)C)CC(F)(F)F ZINC000484928462 528771343 /nfs/dbraw/zinc/77/13/43/528771343.db2.gz UNJUQENKSUVAMB-UHFFFAOYSA-N 0 0 225.298 3.695 20 0 BHADRN CC1(C(=O)N2CCC(C)(C3CC3)CC2)CCCC1 ZINC000484958917 528848533 /nfs/dbraw/zinc/84/85/33/528848533.db2.gz DJTANAJAPDSRCZ-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN Cc1cc(C)nc(NC(=O)C(C)(C)C(C)(C)C)c1 ZINC000484989173 225253191 /nfs/dbraw/zinc/25/31/91/225253191.db2.gz BKQAISQBJPTYDV-UHFFFAOYSA-N 0 0 248.370 3.709 20 0 BHADRN CCN(CCCF)c1cccc(Cl)c1 ZINC000485024832 528433003 /nfs/dbraw/zinc/43/30/03/528433003.db2.gz NZJCQOHYIIGIGU-UHFFFAOYSA-N 0 0 215.699 3.526 20 0 BHADRN COc1cccc(N(CCCF)CC(C)C)c1 ZINC000485060295 533575114 /nfs/dbraw/zinc/57/51/14/533575114.db2.gz RSZJPBKIVCKNBK-UHFFFAOYSA-N 0 0 239.334 3.517 20 0 BHADRN Cc1cccc(N(CCCF)C(C)C)c1 ZINC000485090010 225252419 /nfs/dbraw/zinc/25/24/19/225252419.db2.gz CLSMMCPVMOUXSU-UHFFFAOYSA-N 0 0 209.308 3.569 20 0 BHADRN Cc1ccccc1N(CCCF)C(C)C ZINC000485090699 225253360 /nfs/dbraw/zinc/25/33/60/225253360.db2.gz DTGPXXODWHBSHQ-UHFFFAOYSA-N 0 0 209.308 3.569 20 0 BHADRN CCCCCNC(=O)c1cccn1C1CCCC1 ZINC000485099672 528213384 /nfs/dbraw/zinc/21/33/84/528213384.db2.gz HRTUAQKDJVVNDT-UHFFFAOYSA-N 0 0 248.370 3.523 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(F)c1 ZINC000485138389 225252854 /nfs/dbraw/zinc/25/28/54/225252854.db2.gz JMWHFPYISRHXKM-ABAIWWIYSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c(F)c1 ZINC000485138390 225252207 /nfs/dbraw/zinc/25/22/07/225252207.db2.gz JMWHFPYISRHXKM-IAQYHMDHSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(F)c1 ZINC000485138391 225253091 /nfs/dbraw/zinc/25/30/91/225253091.db2.gz JMWHFPYISRHXKM-NHYWBVRUSA-N 0 0 249.329 3.755 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c(F)c1 ZINC000485138392 225252381 /nfs/dbraw/zinc/25/23/81/225252381.db2.gz JMWHFPYISRHXKM-XHDPSFHLSA-N 0 0 249.329 3.755 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)C1=C(C)CCC1 ZINC000485142809 528755916 /nfs/dbraw/zinc/75/59/16/528755916.db2.gz DKLCVYQGBUTNLM-GFCCVEGCSA-N 0 0 223.360 3.524 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C1=C(C)CCC1 ZINC000485142810 528887731 /nfs/dbraw/zinc/88/77/31/528887731.db2.gz DKLCVYQGBUTNLM-LBPRGKRZSA-N 0 0 223.360 3.524 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)c1c(C)cccc1C ZINC000485142829 528891312 /nfs/dbraw/zinc/89/13/12/528891312.db2.gz DPTLVIHLVJANEY-AWEZNQCLSA-N 0 0 247.382 3.954 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)c1c(C)cccc1C ZINC000485142830 528759660 /nfs/dbraw/zinc/75/96/60/528759660.db2.gz DPTLVIHLVJANEY-CQSZACIVSA-N 0 0 247.382 3.954 20 0 BHADRN Fc1cnc(Nc2csc3ccccc23)nc1 ZINC000485148730 534535789 /nfs/dbraw/zinc/53/57/89/534535789.db2.gz TYUIRHOLERVDGO-UHFFFAOYSA-N 0 0 245.282 3.574 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)C1(CC(C)C)CC1 ZINC000485152718 528755688 /nfs/dbraw/zinc/75/56/88/528755688.db2.gz RTGWSBMBDZWYSR-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C1(CC(C)C)CC1 ZINC000485152719 528888134 /nfs/dbraw/zinc/88/81/34/528888134.db2.gz RTGWSBMBDZWYSR-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000485201371 528110873 /nfs/dbraw/zinc/11/08/73/528110873.db2.gz HAIVZQDYSIFGDS-KBPBESRZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000485201373 528110865 /nfs/dbraw/zinc/11/08/65/528110865.db2.gz HAIVZQDYSIFGDS-KGLIPLIRSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000485201374 528109793 /nfs/dbraw/zinc/10/97/93/528109793.db2.gz HAIVZQDYSIFGDS-UONOGXRCSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000485201375 528108901 /nfs/dbraw/zinc/10/89/01/528108901.db2.gz HAIVZQDYSIFGDS-ZIAGYGMSSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CCC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000485225971 527698724 /nfs/dbraw/zinc/69/87/24/527698724.db2.gz WNMSJSOYGXAYGE-KBPBESRZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CCC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000485225972 527699076 /nfs/dbraw/zinc/69/90/76/527699076.db2.gz WNMSJSOYGXAYGE-KGLIPLIRSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CCC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000485225973 527698751 /nfs/dbraw/zinc/69/87/51/527698751.db2.gz WNMSJSOYGXAYGE-UONOGXRCSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CCC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000485226091 527699086 /nfs/dbraw/zinc/69/90/86/527699086.db2.gz WNMSJSOYGXAYGE-ZIAGYGMSSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CCC1 ZINC000485259799 528652302 /nfs/dbraw/zinc/65/23/02/528652302.db2.gz WCGLFXWZAGHQKR-ILXRZTDVSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC000485259800 528655292 /nfs/dbraw/zinc/65/52/92/528655292.db2.gz WCGLFXWZAGHQKR-QLFBSQMISA-N 0 0 249.398 3.674 20 0 BHADRN COc1ccc(CSc2ccccc2C)cn1 ZINC000485273381 533732146 /nfs/dbraw/zinc/73/21/46/533732146.db2.gz JNTGASILODZGTD-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN COc1ccc(CSc2cccc(C)c2)cn1 ZINC000485280718 533732171 /nfs/dbraw/zinc/73/21/71/533732171.db2.gz BEFXOWPEPMAOLS-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN COc1ccc(CSc2ccc(C)cc2)cn1 ZINC000485281434 533731582 /nfs/dbraw/zinc/73/15/82/533731582.db2.gz BTXMRDSCHHXUAJ-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN FC(F)CNCc1cccc(-c2ccccc2)c1 ZINC000485287522 225252279 /nfs/dbraw/zinc/25/22/79/225252279.db2.gz FBDCHJIJEVNISP-UHFFFAOYSA-N 0 0 247.288 3.708 20 0 BHADRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000485316348 528651853 /nfs/dbraw/zinc/65/18/53/528651853.db2.gz JFKXLFIQHDIVBJ-ILXRZTDVSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C=CCC1 ZINC000485316350 528650770 /nfs/dbraw/zinc/65/07/70/528650770.db2.gz JFKXLFIQHDIVBJ-KKUMJFAQSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000485316351 528653974 /nfs/dbraw/zinc/65/39/74/528653974.db2.gz JFKXLFIQHDIVBJ-QLFBSQMISA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000485316354 528654117 /nfs/dbraw/zinc/65/41/17/528654117.db2.gz JFKXLFIQHDIVBJ-SOUVJXGZSA-N 0 0 249.398 3.674 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)o1 ZINC000485354456 225254033 /nfs/dbraw/zinc/25/40/33/225254033.db2.gz STJVRHPBVDSDKK-CHWSQXEVSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(C)C)o1 ZINC000485354459 533596322 /nfs/dbraw/zinc/59/63/22/533596322.db2.gz STJVRHPBVDSDKK-OLZOCXBDSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)o1 ZINC000485354468 225254875 /nfs/dbraw/zinc/25/48/75/225254875.db2.gz STJVRHPBVDSDKK-QWHCGFSZSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(C)C)o1 ZINC000485354470 533595222 /nfs/dbraw/zinc/59/52/22/533595222.db2.gz STJVRHPBVDSDKK-STQMWFEESA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)c(F)c1 ZINC000485359286 534187475 /nfs/dbraw/zinc/18/74/75/534187475.db2.gz PCUUNGPKBRBDOI-CMPLNLGQSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCC[C@H](C)C2)c(F)c1 ZINC000485359287 225254939 /nfs/dbraw/zinc/25/49/39/225254939.db2.gz PCUUNGPKBRBDOI-JQWIXIFHSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000485359288 225254128 /nfs/dbraw/zinc/25/41/28/225254128.db2.gz PCUUNGPKBRBDOI-PWSUYJOCSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000485359289 534187504 /nfs/dbraw/zinc/18/75/04/534187504.db2.gz PCUUNGPKBRBDOI-ZYHUDNBSSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCCC2(C)C)c(F)c1 ZINC000485389559 225254350 /nfs/dbraw/zinc/25/43/50/225254350.db2.gz WHDCMLGDYQGIDY-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCCC2(C)C)c(F)c1 ZINC000485389560 225254487 /nfs/dbraw/zinc/25/44/87/225254487.db2.gz WHDCMLGDYQGIDY-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN C[C@H]1Sc2ccccc2N(CCCF)[C@@H]1C ZINC000485401307 225254502 /nfs/dbraw/zinc/25/45/02/225254502.db2.gz DQZXLAJORGKCPA-GHMZBOCLSA-N 0 0 239.359 3.735 20 0 BHADRN C[C@@H]1[C@H](C)Sc2ccccc2N1CCCF ZINC000485401308 225254564 /nfs/dbraw/zinc/25/45/64/225254564.db2.gz DQZXLAJORGKCPA-MNOVXSKESA-N 0 0 239.359 3.735 20 0 BHADRN C[C@@H]1Sc2ccccc2N(CCCF)[C@H]1C ZINC000485401309 534220457 /nfs/dbraw/zinc/22/04/57/534220457.db2.gz DQZXLAJORGKCPA-QWRGUYRKSA-N 0 0 239.359 3.735 20 0 BHADRN C[C@H]1Sc2ccccc2N(CCCF)[C@H]1C ZINC000485401310 225254866 /nfs/dbraw/zinc/25/48/66/225254866.db2.gz DQZXLAJORGKCPA-WDEREUQCSA-N 0 0 239.359 3.735 20 0 BHADRN C/C(=C\c1cc(F)cc(Cl)c1)c1cnccn1 ZINC000485405776 527524686 /nfs/dbraw/zinc/52/46/86/527524686.db2.gz ZUYPRDBYTQQRFA-RUDMXATFSA-N 0 0 248.688 3.830 20 0 BHADRN C/C(=C/c1cc(F)cc(Cl)c1)c1cnccn1 ZINC000485405777 527498747 /nfs/dbraw/zinc/49/87/47/527498747.db2.gz ZUYPRDBYTQQRFA-WTKPLQERSA-N 0 0 248.688 3.830 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2CC[C@H](C)C2)c(F)c1 ZINC000485406170 225254483 /nfs/dbraw/zinc/25/44/83/225254483.db2.gz CMJAUZLJCPTWJI-CMPLNLGQSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)C[C@H]2CC[C@H](C)C2)c(F)c1 ZINC000485406173 225254744 /nfs/dbraw/zinc/25/47/44/225254744.db2.gz CMJAUZLJCPTWJI-JQWIXIFHSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)C[C@H]2CC[C@@H](C)C2)c(F)c1 ZINC000485406175 225254524 /nfs/dbraw/zinc/25/45/24/225254524.db2.gz CMJAUZLJCPTWJI-PWSUYJOCSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c(F)c1 ZINC000485406176 225254023 /nfs/dbraw/zinc/25/40/23/225254023.db2.gz CMJAUZLJCPTWJI-ZYHUDNBSSA-N 0 0 249.329 3.899 20 0 BHADRN CC[C@@H]1CCc2ccccc2N1CCCF ZINC000485408927 529344769 /nfs/dbraw/zinc/34/47/69/529344769.db2.gz OWGGAQGBFIWIJL-CYBMUJFWSA-N 0 0 221.319 3.577 20 0 BHADRN CC[C@H]1CCc2ccccc2N1CCCF ZINC000485408930 529258628 /nfs/dbraw/zinc/25/86/28/529258628.db2.gz OWGGAQGBFIWIJL-ZDUSSCGKSA-N 0 0 221.319 3.577 20 0 BHADRN FCCCN1CC2(CCCC2)c2ccccc21 ZINC000485409515 534429433 /nfs/dbraw/zinc/42/94/33/534429433.db2.gz NUERKTCEOHRFFJ-UHFFFAOYSA-N 0 0 233.330 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)c(F)c1 ZINC000485410838 225254645 /nfs/dbraw/zinc/25/46/45/225254645.db2.gz XJPSEIBUFOUHEZ-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCC(C)(C)C2)c(F)c1 ZINC000485410839 225254706 /nfs/dbraw/zinc/25/47/06/225254706.db2.gz XJPSEIBUFOUHEZ-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2C)c(F)c1 ZINC000485414868 225254230 /nfs/dbraw/zinc/25/42/30/225254230.db2.gz PMGFFJCHIKHGKD-NEPJUHHUSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)C[C@H]2CCC[C@@H]2C)c(F)c1 ZINC000485414871 225254784 /nfs/dbraw/zinc/25/47/84/225254784.db2.gz PMGFFJCHIKHGKD-NWDGAFQWSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H]2CCC[C@@H]2C)c(F)c1 ZINC000485414872 225253957 /nfs/dbraw/zinc/25/39/57/225253957.db2.gz PMGFFJCHIKHGKD-RYUDHWBXSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)C[C@H]2CCC[C@H]2C)c(F)c1 ZINC000485414874 225254527 /nfs/dbraw/zinc/25/45/27/225254527.db2.gz PMGFFJCHIKHGKD-VXGBXAGGSA-N 0 0 249.329 3.899 20 0 BHADRN CC(C)[C@H]1CCCC[C@H]1NC(=O)CC(C)(C)C ZINC000485416825 527763802 /nfs/dbraw/zinc/76/38/02/527763802.db2.gz YQEFHGDXWWXICD-CHWSQXEVSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)CC(C)(C)C ZINC000485416827 527762405 /nfs/dbraw/zinc/76/24/05/527762405.db2.gz YQEFHGDXWWXICD-OLZOCXBDSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)C ZINC000485416829 528653832 /nfs/dbraw/zinc/65/38/32/528653832.db2.gz YQEFHGDXWWXICD-QWHCGFSZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)C ZINC000485416830 528650932 /nfs/dbraw/zinc/65/09/32/528650932.db2.gz YQEFHGDXWWXICD-STQMWFEESA-N 0 0 239.403 3.754 20 0 BHADRN CC1=C[C@@H](C)CN(c2ccc3ccccc3n2)C1 ZINC000485418100 528132558 /nfs/dbraw/zinc/13/25/58/528132558.db2.gz FNDGYVZGHFBHNB-GFCCVEGCSA-N 0 0 238.334 3.637 20 0 BHADRN CC1=C[C@H](C)CN(c2ccc3ccccc3n2)C1 ZINC000485418101 528142758 /nfs/dbraw/zinc/14/27/58/528142758.db2.gz FNDGYVZGHFBHNB-LBPRGKRZSA-N 0 0 238.334 3.637 20 0 BHADRN CC1=C[C@H](C)CN(c2nc3ccccc3s2)C1 ZINC000485420614 528142663 /nfs/dbraw/zinc/14/26/63/528142663.db2.gz NHDHVMMROBVLRX-JTQLQIEISA-N 0 0 244.363 3.699 20 0 BHADRN CC1=C[C@@H](C)CN(c2nc3ccccc3s2)C1 ZINC000485420624 528132515 /nfs/dbraw/zinc/13/25/15/528132515.db2.gz NHDHVMMROBVLRX-SNVBAGLBSA-N 0 0 244.363 3.699 20 0 BHADRN CC1=C[C@H](C)CN(c2ccnc3ccsc32)C1 ZINC000485420973 528142479 /nfs/dbraw/zinc/14/24/79/528142479.db2.gz FKAKMMKRRJIZAQ-JTQLQIEISA-N 0 0 244.363 3.699 20 0 BHADRN CC1=C[C@@H](C)CN(c2ccnc3ccsc32)C1 ZINC000485420975 528131149 /nfs/dbraw/zinc/13/11/49/528131149.db2.gz FKAKMMKRRJIZAQ-SNVBAGLBSA-N 0 0 244.363 3.699 20 0 BHADRN FCCCN(CC1CCC1)c1ccccc1 ZINC000485422309 534429403 /nfs/dbraw/zinc/42/94/03/534429403.db2.gz OLLYCTGFNMKXPE-UHFFFAOYSA-N 0 0 221.319 3.653 20 0 BHADRN Cc1ccc2oc(N3CC(C)=C[C@@H](C)C3)nc2c1 ZINC000485422857 534538379 /nfs/dbraw/zinc/53/83/79/534538379.db2.gz LIWBZJVSJALZLM-LLVKDONJSA-N 0 0 242.322 3.539 20 0 BHADRN Cc1ccc2oc(N3CC(C)=C[C@H](C)C3)nc2c1 ZINC000485422858 534537876 /nfs/dbraw/zinc/53/78/76/534537876.db2.gz 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BHADRN Cc1cccc(-c2noc(CC(C)(C)C)n2)c1F ZINC000485876957 534562036 /nfs/dbraw/zinc/56/20/36/534562036.db2.gz QMVUWTKTOGNZDF-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN CCCCc1nc(-c2cccc(C)c2F)no1 ZINC000485879201 529037245 /nfs/dbraw/zinc/03/72/45/529037245.db2.gz XSYMXPKZQGTZQK-UHFFFAOYSA-N 0 0 234.274 3.527 20 0 BHADRN CC1(C)CCN(c2nc3c(cccc3F)o2)CC1 ZINC000485884403 529013210 /nfs/dbraw/zinc/01/32/10/529013210.db2.gz XEHAUFJERKQVST-UHFFFAOYSA-N 0 0 248.301 3.593 20 0 BHADRN CO[C@H](C)CSCc1ccc(Cl)c(F)c1 ZINC000485887838 225260840 /nfs/dbraw/zinc/26/08/40/225260840.db2.gz IIEDZGJJABVPNO-MRVPVSSYSA-N 0 0 248.750 3.747 20 0 BHADRN CO[C@@H](C)CSCc1ccc(Cl)c(F)c1 ZINC000485887839 225260319 /nfs/dbraw/zinc/26/03/19/225260319.db2.gz IIEDZGJJABVPNO-QMMMGPOBSA-N 0 0 248.750 3.747 20 0 BHADRN CCc1ccccc1CSC[C@@H](C)OC ZINC000485889054 529585291 /nfs/dbraw/zinc/58/52/91/529585291.db2.gz NCBPTWZJIIWLNH-LLVKDONJSA-N 0 0 224.369 3.517 20 0 BHADRN CCc1ccccc1CSC[C@H](C)OC ZINC000485889055 529585455 /nfs/dbraw/zinc/58/54/55/529585455.db2.gz NCBPTWZJIIWLNH-NSHDSACASA-N 0 0 224.369 3.517 20 0 BHADRN CO[C@H](C)CSCc1cc(F)ccc1Cl ZINC000485892700 225260894 /nfs/dbraw/zinc/26/08/94/225260894.db2.gz XMVSTTYSHRBBSC-MRVPVSSYSA-N 0 0 248.750 3.747 20 0 BHADRN CO[C@@H](C)CSCc1cc(F)ccc1Cl ZINC000485892701 225260061 /nfs/dbraw/zinc/26/00/61/225260061.db2.gz XMVSTTYSHRBBSC-QMMMGPOBSA-N 0 0 248.750 3.747 20 0 BHADRN Cc1cc(NC(=O)CC2CCCC2)ccc1F ZINC000485896197 225259819 /nfs/dbraw/zinc/25/98/19/225259819.db2.gz NFUYXYHJJKVDET-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN CO[C@H](C)CSCc1ccc(Cl)cc1F ZINC000485901600 225260026 /nfs/dbraw/zinc/26/00/26/225260026.db2.gz UBEAORGUTQBLMT-MRVPVSSYSA-N 0 0 248.750 3.747 20 0 BHADRN CO[C@@H](C)CSCc1ccc(Cl)cc1F ZINC000485901601 225260464 /nfs/dbraw/zinc/26/04/64/225260464.db2.gz UBEAORGUTQBLMT-QMMMGPOBSA-N 0 0 248.750 3.747 20 0 BHADRN CCCCCC(=O)Nc1ccc(F)c(C)c1 ZINC000485915478 528112521 /nfs/dbraw/zinc/11/25/21/528112521.db2.gz HFAIGFJDKRKGBV-UHFFFAOYSA-N 0 0 223.291 3.653 20 0 BHADRN Cc1cc(NC(=O)C2CCCCC2)ccc1F ZINC000485915933 225260703 /nfs/dbraw/zinc/26/07/03/225260703.db2.gz IUZXGLIIEJAESG-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN CCCC(C)(C)CC(=O)NCCCC(C)C ZINC000485928864 527977873 /nfs/dbraw/zinc/97/78/73/527977873.db2.gz CFMWBXIZRVKOSW-UHFFFAOYSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC(C)(C)CC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000485930625 527983716 /nfs/dbraw/zinc/98/37/16/527983716.db2.gz GWEOTPXQFIGOKL-JOCQHMNTSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC(C)(C)CC(=O)N[C@H](C)CC1CC1 ZINC000485942278 527982087 /nfs/dbraw/zinc/98/20/87/527982087.db2.gz RFAHUIZNCGPNGG-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(C)(C)CC(=O)N[C@@H](C)CC1CC1 ZINC000485942280 527981375 /nfs/dbraw/zinc/98/13/75/527981375.db2.gz RFAHUIZNCGPNGG-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(C)(C)CC(=O)NCC1(C)CCCC1 ZINC000485947503 527977369 /nfs/dbraw/zinc/97/73/69/527977369.db2.gz RDZTVGJGUMPLCT-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCCC(C)(C)CC(=O)N1Cc2ccccc2C1 ZINC000485948611 527976849 /nfs/dbraw/zinc/97/68/49/527976849.db2.gz ZNRCFWRXRAKJNE-UHFFFAOYSA-N 0 0 245.366 3.745 20 0 BHADRN C[C@@H]1CC[C@@H](C)N(c2nc3c(cccc3F)o2)C1 ZINC000485950790 225260898 /nfs/dbraw/zinc/26/08/98/225260898.db2.gz LIZOOPJVJABTDT-NXEZZACHSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@H]1CC[C@H](C)N(c2nc3c(cccc3F)o2)C1 ZINC000485950793 225260915 /nfs/dbraw/zinc/26/09/15/225260915.db2.gz LIZOOPJVJABTDT-UWVGGRQHSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@@H]1CC[C@H](C)CN1c1nc2c(cccc2F)o1 ZINC000485950797 534220108 /nfs/dbraw/zinc/22/01/08/534220108.db2.gz LIZOOPJVJABTDT-VHSXEESVSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@@H]1CC[C@H](C)N(c2nc3c(cccc3F)o2)C1 ZINC000485950801 225260337 /nfs/dbraw/zinc/26/03/37/225260337.db2.gz LIZOOPJVJABTDT-ZJUUUORDSA-N 0 0 248.301 3.592 20 0 BHADRN CCC(C)(C)c1nc(-c2cccc(C)c2F)no1 ZINC000485952257 528609274 /nfs/dbraw/zinc/60/92/74/528609274.db2.gz NBVIAHWSRWFPQY-UHFFFAOYSA-N 0 0 248.301 3.872 20 0 BHADRN C[C@H]1CCCCCN1c1nc2c(cccc2F)o1 ZINC000485953208 225260116 /nfs/dbraw/zinc/26/01/16/225260116.db2.gz DEHCCGREUOKCLE-JTQLQIEISA-N 0 0 248.301 3.736 20 0 BHADRN C[C@@H]1CCCCCN1c1nc2c(cccc2F)o1 ZINC000485953211 225260173 /nfs/dbraw/zinc/26/01/73/225260173.db2.gz DEHCCGREUOKCLE-SNVBAGLBSA-N 0 0 248.301 3.736 20 0 BHADRN CC[C@@H]1C[C@@H](C)CN1c1nc2c(cccc2F)o1 ZINC000485953654 529423320 /nfs/dbraw/zinc/42/33/20/529423320.db2.gz DLAGAUOWZYATSR-NXEZZACHSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@H]1C[C@H](C)CN1c1nc2c(cccc2F)o1 ZINC000485953655 529326025 /nfs/dbraw/zinc/32/60/25/529326025.db2.gz DLAGAUOWZYATSR-UWVGGRQHSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@@H]1C[C@H](C)CN1c1nc2c(cccc2F)o1 ZINC000485953656 529440032 /nfs/dbraw/zinc/44/00/32/529440032.db2.gz DLAGAUOWZYATSR-VHSXEESVSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@H]1C[C@@H](C)CN1c1nc2c(cccc2F)o1 ZINC000485953657 529316953 /nfs/dbraw/zinc/31/69/53/529316953.db2.gz DLAGAUOWZYATSR-ZJUUUORDSA-N 0 0 248.301 3.592 20 0 BHADRN C/C=C/C=C\c1nc(-c2cccc(C)c2F)no1 ZINC000485955222 527614302 /nfs/dbraw/zinc/61/43/02/527614302.db2.gz IMBHNGZRWIEZBA-BEHOXYOFSA-N 0 0 244.269 3.773 20 0 BHADRN C/C=C/C=C/c1nc(-c2cccc(C)c2F)no1 ZINC000485955240 527588789 /nfs/dbraw/zinc/58/87/89/527588789.db2.gz IMBHNGZRWIEZBA-PRKJJMSOSA-N 0 0 244.269 3.773 20 0 BHADRN CC[C@@]1(C)CCN(c2nc3c(cccc3F)o2)C1 ZINC000485962019 529527646 /nfs/dbraw/zinc/52/76/46/529527646.db2.gz VQWBLMAGJRLJRU-AWEZNQCLSA-N 0 0 248.301 3.593 20 0 BHADRN CC[C@]1(C)CCN(c2nc3c(cccc3F)o2)C1 ZINC000485962021 529401155 /nfs/dbraw/zinc/40/11/55/529401155.db2.gz VQWBLMAGJRLJRU-CQSZACIVSA-N 0 0 248.301 3.593 20 0 BHADRN C/C=C(\C)c1nc(-c2cccc(C)c2F)no1 ZINC000485965150 527566366 /nfs/dbraw/zinc/56/63/66/527566366.db2.gz MRYWPSOEHZWYCM-XBXARRHUSA-N 0 0 232.258 3.607 20 0 BHADRN C/C=C(/C)c1nc(-c2cccc(C)c2F)no1 ZINC000485965152 527546537 /nfs/dbraw/zinc/54/65/37/527546537.db2.gz MRYWPSOEHZWYCM-YWEYNIOJSA-N 0 0 232.258 3.607 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1nc2c(cccc2F)o1 ZINC000485975913 529337967 /nfs/dbraw/zinc/33/79/67/529337967.db2.gz GBJADDJQSJKZHL-NXEZZACHSA-N 0 0 248.301 3.734 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1nc2c(cccc2F)o1 ZINC000485975914 529254078 /nfs/dbraw/zinc/25/40/78/529254078.db2.gz GBJADDJQSJKZHL-UWVGGRQHSA-N 0 0 248.301 3.734 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1nc2c(cccc2F)o1 ZINC000485975916 529343493 /nfs/dbraw/zinc/34/34/93/529343493.db2.gz GBJADDJQSJKZHL-VHSXEESVSA-N 0 0 248.301 3.734 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1nc2c(cccc2F)o1 ZINC000485975918 529249487 /nfs/dbraw/zinc/24/94/87/529249487.db2.gz GBJADDJQSJKZHL-ZJUUUORDSA-N 0 0 248.301 3.734 20 0 BHADRN C[C@@H]1CCCN(c2nc3c(cccc3F)o2)[C@@H]1C ZINC000485978495 533703074 /nfs/dbraw/zinc/70/30/74/533703074.db2.gz JNLJBJUWSLAUMU-NXEZZACHSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@H]1CCCN(c2nc3c(cccc3F)o2)[C@H]1C ZINC000485978497 534178107 /nfs/dbraw/zinc/17/81/07/534178107.db2.gz JNLJBJUWSLAUMU-UWVGGRQHSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@@H]1[C@@H](C)CCCN1c1nc2c(cccc2F)o1 ZINC000485978499 534230765 /nfs/dbraw/zinc/23/07/65/534230765.db2.gz JNLJBJUWSLAUMU-VHSXEESVSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@@H]1CCCN(c2nc3c(cccc3F)o2)[C@H]1C ZINC000485978501 533703825 /nfs/dbraw/zinc/70/38/25/533703825.db2.gz JNLJBJUWSLAUMU-ZJUUUORDSA-N 0 0 248.301 3.592 20 0 BHADRN Cc1cccc(-c2noc(CCC(C)C)n2)c1F ZINC000485979109 534561952 /nfs/dbraw/zinc/56/19/52/534561952.db2.gz NKGFDMCVPQLICT-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN CC(C)=Cc1nc(-c2cccc(C)c2F)no1 ZINC000485979306 527456003 /nfs/dbraw/zinc/45/60/03/527456003.db2.gz NAFHLLGFXYLESA-UHFFFAOYSA-N 0 0 232.258 3.607 20 0 BHADRN C[C@H]1CN(c2nc3c(cccc3F)o2)C(C)(C)C1 ZINC000485980791 533987372 /nfs/dbraw/zinc/98/73/72/533987372.db2.gz PQKFXYLIQVVUPO-SECBINFHSA-N 0 0 248.301 3.592 20 0 BHADRN C[C@@H]1CN(c2nc3c(cccc3F)o2)C(C)(C)C1 ZINC000485980792 225260210 /nfs/dbraw/zinc/26/02/10/225260210.db2.gz PQKFXYLIQVVUPO-VIFPVBQESA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@@H](C)c1nc(-c2cccc(C)c2F)no1 ZINC000485982282 529431256 /nfs/dbraw/zinc/43/12/56/529431256.db2.gz TWRLZFZOXOUHJK-MRVPVSSYSA-N 0 0 234.274 3.698 20 0 BHADRN CC[C@H](C)c1nc(-c2cccc(C)c2F)no1 ZINC000485982283 529275967 /nfs/dbraw/zinc/27/59/67/529275967.db2.gz TWRLZFZOXOUHJK-QMMMGPOBSA-N 0 0 234.274 3.698 20 0 BHADRN CCCN(CC1CC1)c1nc2c(cccc2F)o1 ZINC000485985492 528029220 /nfs/dbraw/zinc/02/92/20/528029220.db2.gz XSKZLGOZRDBBKE-UHFFFAOYSA-N 0 0 248.301 3.593 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@H]1C(C)C)C(C)C ZINC000485986442 527973187 /nfs/dbraw/zinc/97/31/87/527973187.db2.gz FERFOQSFPBBEOE-KBPBESRZSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@@H](C(=O)N1CCC[C@H]1C(C)C)C(C)C ZINC000485986446 528838704 /nfs/dbraw/zinc/83/87/04/528838704.db2.gz FERFOQSFPBBEOE-KGLIPLIRSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@H](C(=O)N1CCC[C@@H]1C(C)C)C(C)C ZINC000485986450 527971551 /nfs/dbraw/zinc/97/15/51/527971551.db2.gz FERFOQSFPBBEOE-UONOGXRCSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@@H](C(=O)N1CCC[C@@H]1C(C)C)C(C)C ZINC000485986455 528838076 /nfs/dbraw/zinc/83/80/76/528838076.db2.gz FERFOQSFPBBEOE-ZIAGYGMSSA-N 0 0 239.403 3.706 20 0 BHADRN CCCN(c1ncc(C(C)C)s1)C1CC1 ZINC000485986965 528160851 /nfs/dbraw/zinc/16/08/51/528160851.db2.gz FKHOAQCGGILGEU-UHFFFAOYSA-N 0 0 224.373 3.645 20 0 BHADRN Cc1cccc(-c2noc(CCC3CC3)n2)c1F ZINC000485987698 534561333 /nfs/dbraw/zinc/56/13/33/534561333.db2.gz GGDGREIGKSBXRY-UHFFFAOYSA-N 0 0 246.285 3.527 20 0 BHADRN CCN(CCC1CC1)c1nc2c(cccc2F)o1 ZINC000486002300 528428821 /nfs/dbraw/zinc/42/88/21/528428821.db2.gz JXLOCNGPQUEZDL-UHFFFAOYSA-N 0 0 248.301 3.593 20 0 BHADRN C[C@H]1CCCCN(c2nc3c(cccc3F)o2)C1 ZINC000486006255 225260760 /nfs/dbraw/zinc/26/07/60/225260760.db2.gz MDTIDIRGYJJQBK-JTQLQIEISA-N 0 0 248.301 3.593 20 0 BHADRN C[C@@H]1CCCCN(c2nc3c(cccc3F)o2)C1 ZINC000486006256 534155095 /nfs/dbraw/zinc/15/50/95/534155095.db2.gz MDTIDIRGYJJQBK-SNVBAGLBSA-N 0 0 248.301 3.593 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1c1nc2c(cccc2F)o1 ZINC000486010557 529478424 /nfs/dbraw/zinc/47/84/24/529478424.db2.gz TXYSFJASXWHMJK-GXSJLCMTSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@H]1[C@H](C)CCN1c1nc2c(cccc2F)o1 ZINC000486010558 529342202 /nfs/dbraw/zinc/34/22/02/529342202.db2.gz TXYSFJASXWHMJK-KOLCDFICSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1c1nc2c(cccc2F)o1 ZINC000486011027 529484018 /nfs/dbraw/zinc/48/40/18/529484018.db2.gz TXYSFJASXWHMJK-MWLCHTKSSA-N 0 0 248.301 3.592 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1c1nc2c(cccc2F)o1 ZINC000486011029 529337170 /nfs/dbraw/zinc/33/71/70/529337170.db2.gz TXYSFJASXWHMJK-ONGXEEELSA-N 0 0 248.301 3.592 20 0 BHADRN Cc1cc(NC(=O)C2(C)CCCC2)ccc1F ZINC000486021738 225260856 /nfs/dbraw/zinc/26/08/56/225260856.db2.gz ZBQKZHOYVXXBTG-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN Cc1cc(NC(=O)C[C@H](C)C(C)C)ccc1F ZINC000486021781 225260002 /nfs/dbraw/zinc/26/00/02/225260002.db2.gz ZSCDHHODYGOIDU-JTQLQIEISA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cc(NC(=O)C[C@@H](C)C(C)C)ccc1F ZINC000486021782 533951309 /nfs/dbraw/zinc/95/13/09/533951309.db2.gz ZSCDHHODYGOIDU-SNVBAGLBSA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cncc(N[C@H](C)CC2CCCCC2)n1 ZINC000486038493 225260314 /nfs/dbraw/zinc/26/03/14/225260314.db2.gz OPGMVPNGVGSHDN-LLVKDONJSA-N 0 0 233.359 3.556 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1c(C)cccc1C ZINC000486057782 528921929 /nfs/dbraw/zinc/92/19/29/528921929.db2.gz HKCKWOHBPIPXEU-CYBMUJFWSA-N 0 0 233.355 3.612 20 0 BHADRN CCC[C@H](CC)NC(=O)c1c(C)cccc1C ZINC000486057790 528103221 /nfs/dbraw/zinc/10/32/21/528103221.db2.gz HKCKWOHBPIPXEU-ZDUSSCGKSA-N 0 0 233.355 3.612 20 0 BHADRN CCC[C@@H](CC)NC(=O)C(C)(C)CC(C)C ZINC000486059506 528916073 /nfs/dbraw/zinc/91/60/73/528916073.db2.gz FBYLHLLIDCZPBB-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](CC)NC(=O)C(C)(C)CC(C)C ZINC000486059507 528094363 /nfs/dbraw/zinc/09/43/63/528094363.db2.gz FBYLHLLIDCZPBB-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@@H](CC)NC(=O)C1(CC(C)C)CC1 ZINC000486064132 528917028 /nfs/dbraw/zinc/91/70/28/528917028.db2.gz PQJHWPSDFLWBBM-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)C1(CC(C)C)CC1 ZINC000486064133 528095160 /nfs/dbraw/zinc/09/51/60/528095160.db2.gz PQJHWPSDFLWBBM-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(C)(C)CC(=O)NCC(C)(C)CC ZINC000486072823 527977898 /nfs/dbraw/zinc/97/78/98/527977898.db2.gz WPWWRERUTZHBBJ-UHFFFAOYSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC(C)(C)CC(=O)NCC1(C2CC2)CC1 ZINC000486095408 527978085 /nfs/dbraw/zinc/97/80/85/527978085.db2.gz CBMJITWYGPKDEK-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC(C)(C)CC(=O)N[C@H](C)CC(C)C ZINC000486110205 527981975 /nfs/dbraw/zinc/98/19/75/527981975.db2.gz PXEBAEAVUKPBEA-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCCC(C)(C)CC(=O)N[C@@H](C)CC(C)C ZINC000486110206 527981018 /nfs/dbraw/zinc/98/10/18/527981018.db2.gz PXEBAEAVUKPBEA-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN Fc1cccc(CCCSCC2CC2)c1 ZINC000486122998 225262197 /nfs/dbraw/zinc/26/21/97/225262197.db2.gz LELIFCTVZNJWJP-UHFFFAOYSA-N 0 0 224.344 3.902 20 0 BHADRN FCCCSCCCc1cccc(F)c1 ZINC000486123504 534431748 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Cc1ccc(OCc2cc3ccccc3o2)cn1 ZINC000486927045 225272426 /nfs/dbraw/zinc/27/24/26/225272426.db2.gz QGGKUXPWKYJZDR-UHFFFAOYSA-N 0 0 239.274 3.715 20 0 BHADRN CCc1ccc(NC/C=C\c2ccncc2)cc1 ZINC000486932503 529687543 /nfs/dbraw/zinc/68/75/43/529687543.db2.gz CKHDAOQJEQTRCY-ARJAWSKDSA-N 0 0 238.334 3.769 20 0 BHADRN CCc1ccc(NC/C=C/c2ccncc2)cc1 ZINC000486932504 529687607 /nfs/dbraw/zinc/68/76/07/529687607.db2.gz CKHDAOQJEQTRCY-ONEGZZNKSA-N 0 0 238.334 3.769 20 0 BHADRN Cc1cc(C)cc(NC/C=C\c2ccncc2)c1 ZINC000486934282 534083279 /nfs/dbraw/zinc/08/32/79/534083279.db2.gz GRFGTOCMZZQMLA-ARJAWSKDSA-N 0 0 238.334 3.824 20 0 BHADRN Cc1cc(C)cc(NC/C=C/c2ccncc2)c1 ZINC000486934283 534083197 /nfs/dbraw/zinc/08/31/97/534083197.db2.gz GRFGTOCMZZQMLA-ONEGZZNKSA-N 0 0 238.334 3.824 20 0 BHADRN Cc1cc(F)ccc1NC/C=C\c1ccncc1 ZINC000486935686 225273881 /nfs/dbraw/zinc/27/38/81/225273881.db2.gz LWCZFULCVHONDC-IHWYPQMZSA-N 0 0 242.297 3.654 20 0 BHADRN Cc1cc(F)ccc1NC/C=C/c1ccncc1 ZINC000486935688 225273670 /nfs/dbraw/zinc/27/36/70/225273670.db2.gz LWCZFULCVHONDC-NSCUHMNNSA-N 0 0 242.297 3.654 20 0 BHADRN Cc1ccc(NC/C=C\c2ccncc2)cc1F ZINC000486937875 225274333 /nfs/dbraw/zinc/27/43/33/225274333.db2.gz MAFKPBHHCUTQCH-IHWYPQMZSA-N 0 0 242.297 3.654 20 0 BHADRN Cc1ccc(NC/C=C/c2ccncc2)cc1F ZINC000486937876 225274358 /nfs/dbraw/zinc/27/43/58/225274358.db2.gz MAFKPBHHCUTQCH-NSCUHMNNSA-N 0 0 242.297 3.654 20 0 BHADRN CCc1cccc(NC/C=C/c2ccncc2)c1 ZINC000486938654 529542493 /nfs/dbraw/zinc/54/24/93/529542493.db2.gz IZZFCXSTFVHBEB-GQCTYLIASA-N 0 0 238.334 3.769 20 0 BHADRN CCc1cccc(NC/C=C\c2ccncc2)c1 ZINC000486938655 529542472 /nfs/dbraw/zinc/54/24/72/529542472.db2.gz IZZFCXSTFVHBEB-XQRVVYSFSA-N 0 0 238.334 3.769 20 0 BHADRN Cc1ccc([C@H](C)N(C)c2ccccn2)c(C)c1 ZINC000486950143 225275279 /nfs/dbraw/zinc/27/52/79/225275279.db2.gz KSQSFHCRODVPBY-AWEZNQCLSA-N 0 0 240.350 3.896 20 0 BHADRN Cc1ccc([C@@H](C)N(C)c2ccccn2)c(C)c1 ZINC000486950345 225275641 /nfs/dbraw/zinc/27/56/41/225275641.db2.gz KSQSFHCRODVPBY-CQSZACIVSA-N 0 0 240.350 3.896 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)NC(C)(C)C ZINC000486961115 528258469 /nfs/dbraw/zinc/25/84/69/528258469.db2.gz BZFJMXNVMGSYFS-GFCCVEGCSA-N 0 0 240.391 3.539 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)NC(C)(C)C ZINC000486961116 528274168 /nfs/dbraw/zinc/27/41/68/528274168.db2.gz BZFJMXNVMGSYFS-LBPRGKRZSA-N 0 0 240.391 3.539 20 0 BHADRN Clc1cccc(NC/C=C\c2ccncc2)c1 ZINC000486964429 534646665 /nfs/dbraw/zinc/64/66/65/534646665.db2.gz IAGUMVLKSOJQBS-IHWYPQMZSA-N 0 0 244.725 3.860 20 0 BHADRN Clc1cccc(NC/C=C/c2ccncc2)c1 ZINC000486964445 534646325 /nfs/dbraw/zinc/64/63/25/534646325.db2.gz IAGUMVLKSOJQBS-NSCUHMNNSA-N 0 0 244.725 3.860 20 0 BHADRN Cc1cccc(NCc2scnc2C2CC2)c1 ZINC000486967521 538884642 /nfs/dbraw/zinc/88/46/42/538884642.db2.gz HPFVEVZZKIVIKK-UHFFFAOYSA-N 0 0 244.363 3.941 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)NCCCC ZINC000486968960 528258806 /nfs/dbraw/zinc/25/88/06/528258806.db2.gz PNVUQNGFBNTJRM-CYBMUJFWSA-N 0 0 240.391 3.541 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)NCCCC ZINC000486968962 528273798 /nfs/dbraw/zinc/27/37/98/528273798.db2.gz PNVUQNGFBNTJRM-ZDUSSCGKSA-N 0 0 240.391 3.541 20 0 BHADRN Cc1cccc(NC/C=C/c2ccncc2)c1 ZINC000486970073 534747155 /nfs/dbraw/zinc/74/71/55/534747155.db2.gz MCGLXYGOZKPALY-HWKANZROSA-N 0 0 224.307 3.515 20 0 BHADRN Cc1cccc(NC/C=C\c2ccncc2)c1 ZINC000486970075 534747706 /nfs/dbraw/zinc/74/77/06/534747706.db2.gz MCGLXYGOZKPALY-HYXAFXHYSA-N 0 0 224.307 3.515 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)N[C@H](C)CC ZINC000486970920 528260811 /nfs/dbraw/zinc/26/08/11/528260811.db2.gz SYHBOPJRLSDMLX-CHWSQXEVSA-N 0 0 240.391 3.539 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)N[C@H](C)CC ZINC000486970923 528274052 /nfs/dbraw/zinc/27/40/52/528274052.db2.gz SYHBOPJRLSDMLX-OLZOCXBDSA-N 0 0 240.391 3.539 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)N[C@@H](C)CC ZINC000486970924 528258961 /nfs/dbraw/zinc/25/89/61/528258961.db2.gz SYHBOPJRLSDMLX-QWHCGFSZSA-N 0 0 240.391 3.539 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)N[C@@H](C)CC ZINC000486970927 528274173 /nfs/dbraw/zinc/27/41/73/528274173.db2.gz SYHBOPJRLSDMLX-STQMWFEESA-N 0 0 240.391 3.539 20 0 BHADRN CCOc1ccc(CNc2ccccc2)cc1F ZINC000486972479 528467657 /nfs/dbraw/zinc/46/76/57/528467657.db2.gz PVSPCWUJXJTRRD-UHFFFAOYSA-N 0 0 245.297 3.837 20 0 BHADRN Fc1ccc(NCc2scnc2C2CC2)cc1 ZINC000486977485 538884706 /nfs/dbraw/zinc/88/47/06/538884706.db2.gz BNKAHAHLDGCFHU-UHFFFAOYSA-N 0 0 248.326 3.772 20 0 BHADRN Cc1ccc(NC/C=C\c2ccncc2)cc1 ZINC000486980488 225278806 /nfs/dbraw/zinc/27/88/06/225278806.db2.gz JNCWDPATTLHFCS-IHWYPQMZSA-N 0 0 224.307 3.515 20 0 BHADRN Cc1ccc(NC/C=C/c2ccncc2)cc1 ZINC000486980489 225277704 /nfs/dbraw/zinc/27/77/04/225277704.db2.gz JNCWDPATTLHFCS-NSCUHMNNSA-N 0 0 224.307 3.515 20 0 BHADRN Cc1ccc(NC/C=C\c2ccncc2)cc1C ZINC000486980842 225278486 /nfs/dbraw/zinc/27/84/86/225278486.db2.gz LGXJPFSWYCOVNG-ARJAWSKDSA-N 0 0 238.334 3.824 20 0 BHADRN Cc1ccc(NC/C=C/c2ccncc2)cc1C ZINC000486980843 225277797 /nfs/dbraw/zinc/27/77/97/225277797.db2.gz LGXJPFSWYCOVNG-ONEGZZNKSA-N 0 0 238.334 3.824 20 0 BHADRN Cc1ccccc1NC/C=C/c1ccncc1 ZINC000486982172 225277654 /nfs/dbraw/zinc/27/76/54/225277654.db2.gz ANBXXOVOHPJIHN-GQCTYLIASA-N 0 0 224.307 3.515 20 0 BHADRN Cc1ccccc1NC/C=C\c1ccncc1 ZINC000486982173 225278471 /nfs/dbraw/zinc/27/84/71/225278471.db2.gz ANBXXOVOHPJIHN-XQRVVYSFSA-N 0 0 224.307 3.515 20 0 BHADRN Cc1ccc(NCc2scnc2C2CC2)cc1 ZINC000486986762 538884525 /nfs/dbraw/zinc/88/45/25/538884525.db2.gz ZHEJBBRJEOPOAA-UHFFFAOYSA-N 0 0 244.363 3.941 20 0 BHADRN CCCCN(C(=O)c1oc(CC)cc1C)C1CC1 ZINC000486991068 528316052 /nfs/dbraw/zinc/31/60/52/528316052.db2.gz ZFPYVPMIEPTHOL-UHFFFAOYSA-N 0 0 249.354 3.555 20 0 BHADRN Fc1cccc(NCc2scnc2C2CC2)c1 ZINC000486991394 538884583 /nfs/dbraw/zinc/88/45/83/538884583.db2.gz VSLITGLAXYDEJX-UHFFFAOYSA-N 0 0 248.326 3.772 20 0 BHADRN CCC1(C(=O)N[C@H](C)c2cccc(C)c2C)CC1 ZINC000487019250 529008346 /nfs/dbraw/zinc/00/83/46/529008346.db2.gz WQNAAODIIWJCMQ-CYBMUJFWSA-N 0 0 245.366 3.671 20 0 BHADRN CCC1(C(=O)N[C@@H](C)c2cccc(C)c2C)CC1 ZINC000487019251 529005660 /nfs/dbraw/zinc/00/56/60/529005660.db2.gz WQNAAODIIWJCMQ-ZDUSSCGKSA-N 0 0 245.366 3.671 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CCC2CCC2)[C@H](C)C1 ZINC000487030554 534249666 /nfs/dbraw/zinc/24/96/66/534249666.db2.gz FNBXIQNEEXIDBD-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CCC2CCC2)[C@@H](C)C1 ZINC000487030555 534249713 /nfs/dbraw/zinc/24/97/13/534249713.db2.gz FNBXIQNEEXIDBD-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CCC2CCC2)[C@@H](C)C1 ZINC000487030556 534182654 /nfs/dbraw/zinc/18/26/54/534182654.db2.gz FNBXIQNEEXIDBD-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CCC2CCC2)[C@H](C)C1 ZINC000487030557 534181714 /nfs/dbraw/zinc/18/17/14/534181714.db2.gz FNBXIQNEEXIDBD-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(C(=O)NCC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000487032512 528995135 /nfs/dbraw/zinc/99/51/35/528995135.db2.gz BPTNPGPSUWUEOR-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000487032514 528995866 /nfs/dbraw/zinc/99/58/66/528995866.db2.gz BPTNPGPSUWUEOR-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(C(=O)NCC[C@H]2CCC[C@H](C)C2)CC1 ZINC000487032516 528995730 /nfs/dbraw/zinc/99/57/30/528995730.db2.gz BPTNPGPSUWUEOR-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(C(=O)NCC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000487032519 528996086 /nfs/dbraw/zinc/99/60/86/528996086.db2.gz BPTNPGPSUWUEOR-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CCC[C@@H](C(=O)N[C@H](C)CC(C)C)C(C)C ZINC000487032962 528846703 /nfs/dbraw/zinc/84/67/03/528846703.db2.gz WTMICCMZQBPGAS-CHWSQXEVSA-N 0 0 227.392 3.610 20 0 BHADRN CCC[C@H](C(=O)N[C@H](C)CC(C)C)C(C)C ZINC000487033504 527985349 /nfs/dbraw/zinc/98/53/49/527985349.db2.gz WTMICCMZQBPGAS-OLZOCXBDSA-N 0 0 227.392 3.610 20 0 BHADRN CCC[C@@H](C(=O)N[C@@H](C)CC(C)C)C(C)C ZINC000487033505 528845063 /nfs/dbraw/zinc/84/50/63/528845063.db2.gz WTMICCMZQBPGAS-QWHCGFSZSA-N 0 0 227.392 3.610 20 0 BHADRN CCC[C@H](C(=O)N[C@@H](C)CC(C)C)C(C)C ZINC000487033506 527983519 /nfs/dbraw/zinc/98/35/19/527983519.db2.gz WTMICCMZQBPGAS-STQMWFEESA-N 0 0 227.392 3.610 20 0 BHADRN CCN(C)C(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000487034914 529113098 /nfs/dbraw/zinc/11/30/98/529113098.db2.gz BCZXCPHSKJZLIZ-SREVYHEPSA-N 0 0 245.366 3.692 20 0 BHADRN C[C@H](CCC(C)(C)C)NC(=O)CCC1CCC1 ZINC000487038074 533803631 /nfs/dbraw/zinc/80/36/31/533803631.db2.gz LIBXKFCNVYNTEM-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H](CCC(C)(C)C)NC(=O)CCC1CCC1 ZINC000487038075 225281897 /nfs/dbraw/zinc/28/18/97/225281897.db2.gz LIBXKFCNVYNTEM-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)[C@@H]1CCCCN1C(=O)CCC1CCC1 ZINC000487047419 528648062 /nfs/dbraw/zinc/64/80/62/528648062.db2.gz OIIFSQNLICHFNI-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC000487047420 527758020 /nfs/dbraw/zinc/75/80/20/527758020.db2.gz OIIFSQNLICHFNI-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C(=O)N[C@H](C)CCC(C)(C)C)CC1 ZINC000487047799 529006682 /nfs/dbraw/zinc/00/66/82/529006682.db2.gz RISGDELVAAPGRG-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC1(C(=O)N[C@@H](C)CCC(C)(C)C)CC1 ZINC000487047801 529003631 /nfs/dbraw/zinc/00/36/31/529003631.db2.gz RISGDELVAAPGRG-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCC1(C(=O)NCC[C@H]2CCCC[C@H]2C)CC1 ZINC000487050064 528995183 /nfs/dbraw/zinc/99/51/83/528995183.db2.gz XTLRKJOXQGYNIU-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(C(=O)NCC[C@@H]2CCCC[C@H]2C)CC1 ZINC000487050066 528996007 /nfs/dbraw/zinc/99/60/07/528996007.db2.gz XTLRKJOXQGYNIU-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(C(=O)NCC[C@H]2CCCC[C@@H]2C)CC1 ZINC000487050072 528995915 /nfs/dbraw/zinc/99/59/15/528995915.db2.gz XTLRKJOXQGYNIU-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(C(=O)NCC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000487050074 528995895 /nfs/dbraw/zinc/99/58/95/528995895.db2.gz XTLRKJOXQGYNIU-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CCSc1cccc(NC(=O)C2(CC)CC2)c1 ZINC000487053789 529255355 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CCCC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000487955286 527956173 /nfs/dbraw/zinc/95/61/73/527956173.db2.gz WHOXVJVMFROUCK-UHFFFAOYSA-N 0 0 247.338 3.654 20 0 BHADRN Cc1ccc(C(C)(C)CNc2ccccn2)cc1 ZINC000487994458 225340188 /nfs/dbraw/zinc/34/01/88/225340188.db2.gz FGJYOEFGBAWKNK-UHFFFAOYSA-N 0 0 240.350 3.780 20 0 BHADRN CC(C)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000488018249 527533127 /nfs/dbraw/zinc/53/31/27/527533127.db2.gz QOXHEMDFJMHJLO-UHFFFAOYSA-N 0 0 247.338 3.510 20 0 BHADRN CCCCC[C@H]1CCCN1CC(F)(F)F ZINC000488041297 528274603 /nfs/dbraw/zinc/27/46/03/528274603.db2.gz GJCNNFKNYSERGQ-JTQLQIEISA-N 0 0 223.282 3.593 20 0 BHADRN CCCCC[C@@H]1CCCN1CC(F)(F)F ZINC000488041298 528261684 /nfs/dbraw/zinc/26/16/84/528261684.db2.gz GJCNNFKNYSERGQ-SNVBAGLBSA-N 0 0 223.282 3.593 20 0 BHADRN CC1(C)C[C@@H]1CNC(=O)CCC1CCCCC1 ZINC000488116465 527709160 /nfs/dbraw/zinc/70/91/60/527709160.db2.gz JGFAZUPXACDOPG-CYBMUJFWSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(C)C[C@H]1CNC(=O)CCC1CCCCC1 ZINC000488116467 527758465 /nfs/dbraw/zinc/75/84/65/527758465.db2.gz JGFAZUPXACDOPG-ZDUSSCGKSA-N 0 0 237.387 3.509 20 0 BHADRN CC1=C(C(=O)N[C@H](C)CC2CCCCC2)CCC1 ZINC000488118600 528078225 /nfs/dbraw/zinc/07/82/25/528078225.db2.gz AVRAELZEQFXKBW-CYBMUJFWSA-N 0 0 249.398 3.962 20 0 BHADRN CC(C)c1ccc(C(=O)NC[C@@H]2CC2(C)C)cc1 ZINC000488141536 528070863 /nfs/dbraw/zinc/07/08/63/528070863.db2.gz GPNALWUEMSRESF-AWEZNQCLSA-N 0 0 245.366 3.586 20 0 BHADRN CC(C)c1ccc(C(=O)NC[C@H]2CC2(C)C)cc1 ZINC000488141538 528072600 /nfs/dbraw/zinc/07/26/00/528072600.db2.gz GPNALWUEMSRESF-CQSZACIVSA-N 0 0 245.366 3.586 20 0 BHADRN CCCCN[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000488144180 528554725 /nfs/dbraw/zinc/55/47/25/528554725.db2.gz FIXOHVKWLHTVHK-NSHDSACASA-N 0 0 249.251 3.819 20 0 BHADRN Cc1nccn1Cc1ccc(C2CCC2)cc1 ZINC000488147526 225351252 /nfs/dbraw/zinc/35/12/52/225351252.db2.gz JGCXBEUDONZCKL-UHFFFAOYSA-N 0 0 226.323 3.507 20 0 BHADRN CCC(CC)C(=O)Nc1cc(C)cc(OC)c1C ZINC000488165259 528725960 /nfs/dbraw/zinc/72/59/60/528725960.db2.gz RSUHOFUICVLOJG-UHFFFAOYSA-N 0 0 249.354 3.687 20 0 BHADRN O[C@H]1CCC[C@H](CSCC2CCCCC2)C1 ZINC000488216247 225356318 /nfs/dbraw/zinc/35/63/18/225356318.db2.gz AWKCQFGMCXAHGP-KBPBESRZSA-N 0 0 242.428 3.851 20 0 BHADRN O[C@H]1CCC[C@@H](CSCC2CCCCC2)C1 ZINC000488216293 225356387 /nfs/dbraw/zinc/35/63/87/225356387.db2.gz AWKCQFGMCXAHGP-KGLIPLIRSA-N 0 0 242.428 3.851 20 0 BHADRN O[C@@H]1CCC[C@H](CSCC2CCCCC2)C1 ZINC000488216295 225355534 /nfs/dbraw/zinc/35/55/34/225355534.db2.gz AWKCQFGMCXAHGP-UONOGXRCSA-N 0 0 242.428 3.851 20 0 BHADRN O[C@@H]1CCC[C@@H](CSCC2CCCCC2)C1 ZINC000488216297 534414633 /nfs/dbraw/zinc/41/46/33/534414633.db2.gz AWKCQFGMCXAHGP-ZIAGYGMSSA-N 0 0 242.428 3.851 20 0 BHADRN CCCC(CCC)SCc1cc(C)ncn1 ZINC000488219420 528002344 /nfs/dbraw/zinc/00/23/44/528002344.db2.gz IXXDEFNGYRTMFS-UHFFFAOYSA-N 0 0 238.400 3.987 20 0 BHADRN CC/C=C\CCSc1nnc(C)n1C(C)C ZINC000488220425 528792508 /nfs/dbraw/zinc/79/25/08/528792508.db2.gz KJLCVKGIPQTNSC-SREVYHEPSA-N 0 0 239.388 3.616 20 0 BHADRN CC/C=C/CCSc1nnc(C)n1C(C)C ZINC000488220426 528775602 /nfs/dbraw/zinc/77/56/02/528775602.db2.gz KJLCVKGIPQTNSC-VOTSOKGWSA-N 0 0 239.388 3.616 20 0 BHADRN Cc1ccc(C)c(SCc2cc(C)ncn2)c1 ZINC000488221618 225355687 /nfs/dbraw/zinc/35/56/87/225355687.db2.gz PYFFLDXLKSXCTC-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1[nH]c(SC(C)C)nc1-c1ccccc1 ZINC000488224951 534525150 /nfs/dbraw/zinc/52/51/50/534525150.db2.gz CGFPWOOFGBUIMY-UHFFFAOYSA-N 0 0 232.352 3.886 20 0 BHADRN Cc1cc(CSCC2CCCCC2)ncn1 ZINC000488226843 533747221 /nfs/dbraw/zinc/74/72/21/533747221.db2.gz FKZQNLJEVFNTRM-UHFFFAOYSA-N 0 0 236.384 3.599 20 0 BHADRN CCC(CC)S[C@@H](C)c1cnc(C)cn1 ZINC000488233998 528808501 /nfs/dbraw/zinc/80/85/01/528808501.db2.gz RWZOXLKBCMEBSS-JTQLQIEISA-N 0 0 224.373 3.768 20 0 BHADRN CCC(CC)S[C@H](C)c1cnc(C)cn1 ZINC000488233999 528808185 /nfs/dbraw/zinc/80/81/85/528808185.db2.gz RWZOXLKBCMEBSS-SNVBAGLBSA-N 0 0 224.373 3.768 20 0 BHADRN CC[C@H](C)CS[C@H](C)c1cnc(C)cn1 ZINC000488234613 529674622 /nfs/dbraw/zinc/67/46/22/529674622.db2.gz NLDBWRMATGJEAP-GXSJLCMTSA-N 0 0 224.373 3.625 20 0 BHADRN CC[C@@H](C)CS[C@@H](C)c1cnc(C)cn1 ZINC000488234614 529332448 /nfs/dbraw/zinc/33/24/48/529332448.db2.gz NLDBWRMATGJEAP-KOLCDFICSA-N 0 0 224.373 3.625 20 0 BHADRN CC[C@@H](C)CS[C@H](C)c1cnc(C)cn1 ZINC000488234617 529332638 /nfs/dbraw/zinc/33/26/38/529332638.db2.gz NLDBWRMATGJEAP-MWLCHTKSSA-N 0 0 224.373 3.625 20 0 BHADRN CC[C@H](C)CS[C@@H](C)c1cnc(C)cn1 ZINC000488234618 529675001 /nfs/dbraw/zinc/67/50/01/529675001.db2.gz NLDBWRMATGJEAP-ONGXEEELSA-N 0 0 224.373 3.625 20 0 BHADRN Cc1[nH]c(SCC2CC2)nc1-c1ccccc1 ZINC000488235518 534529574 /nfs/dbraw/zinc/52/95/74/534529574.db2.gz OZEYFYHTDUKUKY-UHFFFAOYSA-N 0 0 244.363 3.887 20 0 BHADRN CC(C)N(C[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000488236808 528936573 /nfs/dbraw/zinc/93/65/73/528936573.db2.gz YEOCNSFUVNEAJQ-CABCVRRESA-N 0 0 247.382 3.717 20 0 BHADRN CC(C)N(C[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000488236810 528936650 /nfs/dbraw/zinc/93/66/50/528936650.db2.gz YEOCNSFUVNEAJQ-GJZGRUSLSA-N 0 0 247.382 3.717 20 0 BHADRN CC(C)N(C[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000488236811 528925680 /nfs/dbraw/zinc/92/56/80/528925680.db2.gz YEOCNSFUVNEAJQ-HUUCEWRRSA-N 0 0 247.382 3.717 20 0 BHADRN CC(C)N(C[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000488236813 528925798 /nfs/dbraw/zinc/92/57/98/528925798.db2.gz YEOCNSFUVNEAJQ-LSDHHAIUSA-N 0 0 247.382 3.717 20 0 BHADRN CCN(C[C@H]1CCO[C@H](C)C1)c1cccc(C)c1 ZINC000488239260 528752209 /nfs/dbraw/zinc/75/22/09/528752209.db2.gz WRGAPHZACXSQTH-CABCVRRESA-N 0 0 247.382 3.636 20 0 BHADRN CCN(C[C@H]1CCO[C@@H](C)C1)c1cccc(C)c1 ZINC000488239262 528752528 /nfs/dbraw/zinc/75/25/28/528752528.db2.gz WRGAPHZACXSQTH-GJZGRUSLSA-N 0 0 247.382 3.636 20 0 BHADRN CCN(C[C@@H]1CCO[C@H](C)C1)c1cccc(C)c1 ZINC000488239264 528682618 /nfs/dbraw/zinc/68/26/18/528682618.db2.gz WRGAPHZACXSQTH-HUUCEWRRSA-N 0 0 247.382 3.636 20 0 BHADRN CCN(C[C@@H]1CCO[C@@H](C)C1)c1cccc(C)c1 ZINC000488239266 528682775 /nfs/dbraw/zinc/68/27/75/528682775.db2.gz WRGAPHZACXSQTH-LSDHHAIUSA-N 0 0 247.382 3.636 20 0 BHADRN Cc1cnc([C@@H](C)SC2CCCCC2)cn1 ZINC000488246472 534624565 /nfs/dbraw/zinc/62/45/65/534624565.db2.gz DOAJNGKDABPEEB-LLVKDONJSA-N 0 0 236.384 3.912 20 0 BHADRN Cc1cnc([C@H](C)SC2CCCCC2)cn1 ZINC000488246473 534660378 /nfs/dbraw/zinc/66/03/78/534660378.db2.gz DOAJNGKDABPEEB-NSHDSACASA-N 0 0 236.384 3.912 20 0 BHADRN Cc1cnc([C@@H](C)SCc2ccccc2)cn1 ZINC000488246485 534626094 /nfs/dbraw/zinc/62/60/94/534626094.db2.gz DQBULNPFDPCRLZ-GFCCVEGCSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1cnc([C@H](C)SCc2ccccc2)cn1 ZINC000488246486 225357701 /nfs/dbraw/zinc/35/77/01/225357701.db2.gz DQBULNPFDPCRLZ-LBPRGKRZSA-N 0 0 244.363 3.779 20 0 BHADRN Cc1ccc(S[C@H](C)c2cnc(C)cn2)cc1 ZINC000488246995 225357673 /nfs/dbraw/zinc/35/76/73/225357673.db2.gz ABYBUBLAKHMYAS-GFCCVEGCSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1ccc(S[C@@H](C)c2cnc(C)cn2)cc1 ZINC000488246996 534216776 /nfs/dbraw/zinc/21/67/76/534216776.db2.gz ABYBUBLAKHMYAS-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1ccc(SCc2nnc(C(C)C)[nH]2)cc1 ZINC000488250292 225357030 /nfs/dbraw/zinc/35/70/30/225357030.db2.gz FZSDTADMYHEUES-UHFFFAOYSA-N 0 0 247.367 3.529 20 0 BHADRN Cc1cccc(S[C@H](C)c2cnc(C)cn2)c1 ZINC000488257777 225359414 /nfs/dbraw/zinc/35/94/14/225359414.db2.gz CUPIGDZOJPRXGO-GFCCVEGCSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1cccc(S[C@@H](C)c2cnc(C)cn2)c1 ZINC000488257778 225358825 /nfs/dbraw/zinc/35/88/25/225358825.db2.gz CUPIGDZOJPRXGO-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1nnc(CSc2ccc(C(C)C)cc2)[nH]1 ZINC000488261022 534403163 /nfs/dbraw/zinc/40/31/63/534403163.db2.gz XBSAVDSRXKIPHC-UHFFFAOYSA-N 0 0 247.367 3.529 20 0 BHADRN CCCCCS[C@H](C)c1cnc(C)cn1 ZINC000488263033 528251521 /nfs/dbraw/zinc/25/15/21/528251521.db2.gz HCTQMOTVPOFQKQ-LLVKDONJSA-N 0 0 224.373 3.769 20 0 BHADRN CCCCCS[C@@H](C)c1cnc(C)cn1 ZINC000488263037 528251204 /nfs/dbraw/zinc/25/12/04/528251204.db2.gz HCTQMOTVPOFQKQ-NSHDSACASA-N 0 0 224.373 3.769 20 0 BHADRN Cc1cnc([C@@H](C)S[C@H](C)C(C)C)cn1 ZINC000488264092 534626027 /nfs/dbraw/zinc/62/60/27/534626027.db2.gz NKXZEOOGRJXJKG-GHMZBOCLSA-N 0 0 224.373 3.624 20 0 BHADRN Cc1cnc([C@H](C)S[C@H](C)C(C)C)cn1 ZINC000488264094 534660850 /nfs/dbraw/zinc/66/08/50/534660850.db2.gz NKXZEOOGRJXJKG-MNOVXSKESA-N 0 0 224.373 3.624 20 0 BHADRN Cc1cnc([C@H](C)S[C@@H](C)C(C)C)cn1 ZINC000488264097 534661427 /nfs/dbraw/zinc/66/14/27/534661427.db2.gz NKXZEOOGRJXJKG-QWRGUYRKSA-N 0 0 224.373 3.624 20 0 BHADRN Cc1cnc([C@@H](C)S[C@@H](C)C(C)C)cn1 ZINC000488264099 534625897 /nfs/dbraw/zinc/62/58/97/534625897.db2.gz NKXZEOOGRJXJKG-WDEREUQCSA-N 0 0 224.373 3.624 20 0 BHADRN Cc1cnc([C@@H](C)Sc2ccccc2C)cn1 ZINC000488264829 534626473 /nfs/dbraw/zinc/62/64/73/534626473.db2.gz MTPZOTDUMTVRKZ-GFCCVEGCSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1cnc([C@H](C)Sc2ccccc2C)cn1 ZINC000488264831 534660740 /nfs/dbraw/zinc/66/07/40/534660740.db2.gz MTPZOTDUMTVRKZ-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1ccccc1SCc1nnc(C(C)C)[nH]1 ZINC000488269353 225359978 /nfs/dbraw/zinc/35/99/78/225359978.db2.gz VUAJMJATKUVJSN-UHFFFAOYSA-N 0 0 247.367 3.529 20 0 BHADRN CC(C)CCCSC[C@@H]1CCC[C@@H](O)C1 ZINC000488273703 527704973 /nfs/dbraw/zinc/70/49/73/527704973.db2.gz FJNOACAQLWHNSZ-CHWSQXEVSA-N 0 0 230.417 3.707 20 0 BHADRN CC(C)CCCSC[C@@H]1CCC[C@H](O)C1 ZINC000488273704 527705085 /nfs/dbraw/zinc/70/50/85/527705085.db2.gz FJNOACAQLWHNSZ-OLZOCXBDSA-N 0 0 230.417 3.707 20 0 BHADRN CC(C)CCCSC[C@H]1CCC[C@@H](O)C1 ZINC000488273705 527705114 /nfs/dbraw/zinc/70/51/14/527705114.db2.gz FJNOACAQLWHNSZ-QWHCGFSZSA-N 0 0 230.417 3.707 20 0 BHADRN CC(C)CCCSC[C@H]1CCC[C@H](O)C1 ZINC000488273706 527705206 /nfs/dbraw/zinc/70/52/06/527705206.db2.gz FJNOACAQLWHNSZ-STQMWFEESA-N 0 0 230.417 3.707 20 0 BHADRN Cc1cccc(SCc2nnc(C(C)C)[nH]2)c1 ZINC000488275358 229180657 /nfs/dbraw/zinc/18/06/57/229180657.db2.gz WRADWZVXYCUQQC-UHFFFAOYSA-N 0 0 247.367 3.529 20 0 BHADRN CC(C)CCCSCc1nnc(C(C)C)[nH]1 ZINC000488276210 527705187 /nfs/dbraw/zinc/70/51/87/527705187.db2.gz CXYHPRGEKHHKAM-UHFFFAOYSA-N 0 0 241.404 3.598 20 0 BHADRN CCC[C@H](CC)SCc1nnc(C(C)C)[nH]1 ZINC000488276999 528109886 /nfs/dbraw/zinc/10/98/86/528109886.db2.gz AQURMLQBJLDJOG-JTQLQIEISA-N 0 0 241.404 3.740 20 0 BHADRN CCC[C@@H](CC)SCc1nnc(C(C)C)[nH]1 ZINC000488277000 528925975 /nfs/dbraw/zinc/92/59/75/528925975.db2.gz AQURMLQBJLDJOG-SNVBAGLBSA-N 0 0 241.404 3.740 20 0 BHADRN CCC[C@@H](CC)SCc1cc(C)ncn1 ZINC000488278666 528924959 /nfs/dbraw/zinc/92/49/59/528924959.db2.gz CUFBEJXMGSWLSH-GFCCVEGCSA-N 0 0 224.373 3.597 20 0 BHADRN CCC[C@H](CC)SCc1cc(C)ncn1 ZINC000488278667 528109194 /nfs/dbraw/zinc/10/91/94/528109194.db2.gz CUFBEJXMGSWLSH-LBPRGKRZSA-N 0 0 224.373 3.597 20 0 BHADRN O=C(CC1CC1)N1CCC[C@H]1CCC1CCCC1 ZINC000488278934 534822765 /nfs/dbraw/zinc/82/27/65/534822765.db2.gz NPRMPPYTZSNYIA-HNNXBMFYSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(CC1CC1)N1CCC[C@@H]1CCC1CCCC1 ZINC000488278935 229180509 /nfs/dbraw/zinc/18/05/09/229180509.db2.gz NPRMPPYTZSNYIA-OAHLLOKOSA-N 0 0 249.398 3.748 20 0 BHADRN Cc1cnc([C@H](C)SCC(C)(C)C)cn1 ZINC000488279618 229180219 /nfs/dbraw/zinc/18/02/19/229180219.db2.gz JVVLADLCKPBDJT-JTQLQIEISA-N 0 0 224.373 3.625 20 0 BHADRN Cc1cnc([C@@H](C)SCC(C)(C)C)cn1 ZINC000488279619 534625041 /nfs/dbraw/zinc/62/50/41/534625041.db2.gz JVVLADLCKPBDJT-SNVBAGLBSA-N 0 0 224.373 3.625 20 0 BHADRN CCCC1(C(=O)N[C@@H](C)[C@H](C)CC)CCC1 ZINC000488281139 528029864 /nfs/dbraw/zinc/02/98/64/528029864.db2.gz NKJMYWKUQKVUNI-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1(C(=O)N[C@H](C)[C@@H](C)CC)CCC1 ZINC000488281140 528031513 /nfs/dbraw/zinc/03/15/13/528031513.db2.gz NKJMYWKUQKVUNI-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1(C(=O)N[C@@H](C)[C@@H](C)CC)CCC1 ZINC000488281142 528030271 /nfs/dbraw/zinc/03/02/71/528030271.db2.gz NKJMYWKUQKVUNI-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC1(C(=O)N[C@H](C)[C@H](C)CC)CCC1 ZINC000488281143 528031285 /nfs/dbraw/zinc/03/12/85/528031285.db2.gz NKJMYWKUQKVUNI-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)=CCS[C@H](C)c1cnc(C)cn1 ZINC000488282738 527453533 /nfs/dbraw/zinc/45/35/33/527453533.db2.gz VEHXBHIAODGVGY-LLVKDONJSA-N 0 0 222.357 3.545 20 0 BHADRN CC(C)=CCS[C@@H](C)c1cnc(C)cn1 ZINC000488282739 527454372 /nfs/dbraw/zinc/45/43/72/527454372.db2.gz VEHXBHIAODGVGY-NSHDSACASA-N 0 0 222.357 3.545 20 0 BHADRN CCCSc1nc(-c2ccccc2)c(C)[nH]1 ZINC000488284857 528831836 /nfs/dbraw/zinc/83/18/36/528831836.db2.gz WPKDTZZIYZSBKL-UHFFFAOYSA-N 0 0 232.352 3.887 20 0 BHADRN CCC[C@@H](CC)SCc1cn(C(C)C)nn1 ZINC000488285192 528926314 /nfs/dbraw/zinc/92/63/14/528926314.db2.gz OFPTTZYORNTKEH-GFCCVEGCSA-N 0 0 241.404 3.671 20 0 BHADRN CCC[C@H](CC)SCc1cn(C(C)C)nn1 ZINC000488285193 528109243 /nfs/dbraw/zinc/10/92/43/528109243.db2.gz OFPTTZYORNTKEH-LBPRGKRZSA-N 0 0 241.404 3.671 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccccc1N1CCCCC1 ZINC000488289748 225361338 /nfs/dbraw/zinc/36/13/38/225361338.db2.gz BHVYXFDAHZOBLQ-KBPBESRZSA-N 0 0 244.382 3.745 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccccc1N1CCCCC1 ZINC000488289749 534031021 /nfs/dbraw/zinc/03/10/21/534031021.db2.gz BHVYXFDAHZOBLQ-KGLIPLIRSA-N 0 0 244.382 3.745 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccccc1N1CCCCC1 ZINC000488289750 225360754 /nfs/dbraw/zinc/36/07/54/225360754.db2.gz BHVYXFDAHZOBLQ-UONOGXRCSA-N 0 0 244.382 3.745 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccccc1N1CCCCC1 ZINC000488289751 533731166 /nfs/dbraw/zinc/73/11/66/533731166.db2.gz BHVYXFDAHZOBLQ-ZIAGYGMSSA-N 0 0 244.382 3.745 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC000488290019 529392071 /nfs/dbraw/zinc/39/20/71/529392071.db2.gz CBAAWTKVAZCWAH-CHWSQXEVSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC000488290023 529411833 /nfs/dbraw/zinc/41/18/33/529411833.db2.gz CBAAWTKVAZCWAH-OLZOCXBDSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC000488290027 529203928 /nfs/dbraw/zinc/20/39/28/529203928.db2.gz CBAAWTKVAZCWAH-QWHCGFSZSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC000488290029 529239650 /nfs/dbraw/zinc/23/96/50/529239650.db2.gz CBAAWTKVAZCWAH-STQMWFEESA-N 0 0 239.403 3.754 20 0 BHADRN Cc1cc(N2CCCC2)ccc1NC[C@H]1C[C@@H]1C ZINC000488291504 225361277 /nfs/dbraw/zinc/36/12/77/225361277.db2.gz HLMGMVOEIYZMKI-GXTWGEPZSA-N 0 0 244.382 3.663 20 0 BHADRN Cc1cc(N2CCCC2)ccc1NC[C@@H]1C[C@@H]1C ZINC000488291505 225361595 /nfs/dbraw/zinc/36/15/95/225361595.db2.gz HLMGMVOEIYZMKI-JSGCOSHPSA-N 0 0 244.382 3.663 20 0 BHADRN Cc1cc(N2CCCC2)ccc1NC[C@@H]1C[C@H]1C ZINC000488291506 225361774 /nfs/dbraw/zinc/36/17/74/225361774.db2.gz HLMGMVOEIYZMKI-OCCSQVGLSA-N 0 0 244.382 3.663 20 0 BHADRN Cc1cc(N2CCCC2)ccc1NC[C@H]1C[C@H]1C ZINC000488291508 225361633 /nfs/dbraw/zinc/36/16/33/225361633.db2.gz HLMGMVOEIYZMKI-TZMCWYRMSA-N 0 0 244.382 3.663 20 0 BHADRN CC(C)(C)C(C)(C)C(=O)NCCC1=CCCC1 ZINC000488293828 527613201 /nfs/dbraw/zinc/61/32/01/527613201.db2.gz LORYAMCOZCPZNY-UHFFFAOYSA-N 0 0 237.387 3.675 20 0 BHADRN CCC[C@H](CC)SC[C@@H]1CCC[C@H](O)C1 ZINC000488294314 528109473 /nfs/dbraw/zinc/10/94/73/528109473.db2.gz ZMARJXWLSIRPLX-AGIUHOORSA-N 0 0 230.417 3.849 20 0 BHADRN CCC[C@H](CC)SC[C@H]1CCC[C@H](O)C1 ZINC000488294315 528108871 /nfs/dbraw/zinc/10/88/71/528108871.db2.gz ZMARJXWLSIRPLX-AVGNSLFASA-N 0 0 230.417 3.849 20 0 BHADRN CCC[C@H](CC)SC[C@@H]1CCC[C@@H](O)C1 ZINC000488294316 528109864 /nfs/dbraw/zinc/10/98/64/528109864.db2.gz ZMARJXWLSIRPLX-UPJWGTAASA-N 0 0 230.417 3.849 20 0 BHADRN CCC[C@H](CC)SC[C@H]1CCC[C@@H](O)C1 ZINC000488294317 528108840 /nfs/dbraw/zinc/10/88/40/528108840.db2.gz ZMARJXWLSIRPLX-XQQFMLRXSA-N 0 0 230.417 3.849 20 0 BHADRN CCCC(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000488295416 527909990 /nfs/dbraw/zinc/90/99/90/527909990.db2.gz LJIKUOWZKAFOTA-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CCCC(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000488295418 527900201 /nfs/dbraw/zinc/90/02/01/527900201.db2.gz LJIKUOWZKAFOTA-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCC[C@H](C(=O)N(CC(C)C)C(C)C)C(C)C ZINC000488295521 527969913 /nfs/dbraw/zinc/96/99/13/527969913.db2.gz PODYFORWGGEPSB-AWEZNQCLSA-N 0 0 241.419 3.952 20 0 BHADRN CCC[C@@H](C(=O)N(CC(C)C)C(C)C)C(C)C ZINC000488295522 528837591 /nfs/dbraw/zinc/83/75/91/528837591.db2.gz PODYFORWGGEPSB-CQSZACIVSA-N 0 0 241.419 3.952 20 0 BHADRN CCC[C@H](C(=O)N(CC(C)C)C1CC1)C(C)C ZINC000488297724 527970067 /nfs/dbraw/zinc/97/00/67/527970067.db2.gz VBKGSNMSZLRHPK-AWEZNQCLSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@@H](C(=O)N(CC(C)C)C1CC1)C(C)C ZINC000488297729 528837368 /nfs/dbraw/zinc/83/73/68/528837368.db2.gz VBKGSNMSZLRHPK-CQSZACIVSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CCCSCc1cn(C(C)C)nn1 ZINC000488298283 527705172 /nfs/dbraw/zinc/70/51/72/527705172.db2.gz VAZNDHCCAXPDPY-UHFFFAOYSA-N 0 0 241.404 3.528 20 0 BHADRN COc1cc(F)ccc1NC1CCC2(CC2)CC1 ZINC000488300168 534026310 /nfs/dbraw/zinc/02/63/10/534026310.db2.gz OVESFSRQNBCJOK-UHFFFAOYSA-N 0 0 249.329 3.969 20 0 BHADRN CN(C)c1ccccc1NC1CCC2(CC2)CC1 ZINC000488300610 529795874 /nfs/dbraw/zinc/79/58/74/529795874.db2.gz PHBKMHUWBYWPGT-UHFFFAOYSA-N 0 0 244.382 3.887 20 0 BHADRN CC(C)OCc1ccc(NC[C@H]2C[C@@H]2C)cc1 ZINC000488308453 528037522 /nfs/dbraw/zinc/03/75/22/528037522.db2.gz COEHQVKVOGZAMR-GXTWGEPZSA-N 0 0 233.355 3.680 20 0 BHADRN CC(C)OCc1ccc(NC[C@@H]2C[C@@H]2C)cc1 ZINC000488308454 528037004 /nfs/dbraw/zinc/03/70/04/528037004.db2.gz COEHQVKVOGZAMR-JSGCOSHPSA-N 0 0 233.355 3.680 20 0 BHADRN CC(C)OCc1ccc(NC[C@@H]2C[C@H]2C)cc1 ZINC000488308455 528037468 /nfs/dbraw/zinc/03/74/68/528037468.db2.gz COEHQVKVOGZAMR-OCCSQVGLSA-N 0 0 233.355 3.680 20 0 BHADRN CC(C)OCc1ccc(NC[C@H]2C[C@H]2C)cc1 ZINC000488308456 528037563 /nfs/dbraw/zinc/03/75/63/528037563.db2.gz COEHQVKVOGZAMR-TZMCWYRMSA-N 0 0 233.355 3.680 20 0 BHADRN CC(C)N(C)c1cccc(NC[C@H]2C[C@H]2C)c1 ZINC000488315956 528850413 /nfs/dbraw/zinc/85/04/13/528850413.db2.gz PCDKNXPGAMCYLH-CHWSQXEVSA-N 0 0 232.371 3.599 20 0 BHADRN CC(C)N(C)c1cccc(NC[C@@H]2C[C@H]2C)c1 ZINC000488315957 528849799 /nfs/dbraw/zinc/84/97/99/528849799.db2.gz PCDKNXPGAMCYLH-OLZOCXBDSA-N 0 0 232.371 3.599 20 0 BHADRN CC(C)N(C)c1cccc(NC[C@H]2C[C@@H]2C)c1 ZINC000488315958 528849836 /nfs/dbraw/zinc/84/98/36/528849836.db2.gz PCDKNXPGAMCYLH-QWHCGFSZSA-N 0 0 232.371 3.599 20 0 BHADRN CC(C)N(C)c1cccc(NC[C@@H]2C[C@@H]2C)c1 ZINC000488315959 528849733 /nfs/dbraw/zinc/84/97/33/528849733.db2.gz PCDKNXPGAMCYLH-STQMWFEESA-N 0 0 232.371 3.599 20 0 BHADRN Cc1ccc(-c2ncco2)cc1NC[C@@H]1C[C@@H]1C ZINC000488318722 534222273 /nfs/dbraw/zinc/22/22/73/534222273.db2.gz BEGAJAKASJSPEO-AAEUAGOBSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ccc(-c2ncco2)cc1NC[C@H]1C[C@H]1C ZINC000488318725 534222606 /nfs/dbraw/zinc/22/26/06/534222606.db2.gz BEGAJAKASJSPEO-DGCLKSJQSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ccc(-c2ncco2)cc1NC[C@H]1C[C@@H]1C ZINC000488318727 534222598 /nfs/dbraw/zinc/22/25/98/534222598.db2.gz BEGAJAKASJSPEO-WCQYABFASA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ccc(-c2ncco2)cc1NC[C@@H]1C[C@H]1C ZINC000488318730 534222866 /nfs/dbraw/zinc/22/28/66/534222866.db2.gz BEGAJAKASJSPEO-YPMHNXCESA-N 0 0 242.322 3.718 20 0 BHADRN CC(C)Oc1ccc(F)cc1NC[C@H]1C[C@H]1C ZINC000488322983 528172742 /nfs/dbraw/zinc/17/27/42/528172742.db2.gz PYHQWDBSMHDJFK-GHMZBOCLSA-N 0 0 237.318 3.681 20 0 BHADRN CC(C)Oc1ccc(F)cc1NC[C@@H]1C[C@H]1C ZINC000488322984 528172877 /nfs/dbraw/zinc/17/28/77/528172877.db2.gz PYHQWDBSMHDJFK-MNOVXSKESA-N 0 0 237.318 3.681 20 0 BHADRN CC(C)Oc1ccc(F)cc1NC[C@@H]1C[C@@H]1C ZINC000488322985 528172439 /nfs/dbraw/zinc/17/24/39/528172439.db2.gz PYHQWDBSMHDJFK-QWRGUYRKSA-N 0 0 237.318 3.681 20 0 BHADRN CC(C)Oc1ccc(F)cc1NC[C@H]1C[C@@H]1C ZINC000488322986 528172699 /nfs/dbraw/zinc/17/26/99/528172699.db2.gz PYHQWDBSMHDJFK-WDEREUQCSA-N 0 0 237.318 3.681 20 0 BHADRN COc1cccc(NC2CCC3(CC3)CC2)c1 ZINC000488323690 533616419 /nfs/dbraw/zinc/61/64/19/533616419.db2.gz UCJNFHDKYIZXPJ-UHFFFAOYSA-N 0 0 231.339 3.830 20 0 BHADRN CCOc1ccc(OCC)c(NC[C@@H]2C[C@H]2C)c1 ZINC000488325334 528568729 /nfs/dbraw/zinc/56/87/29/528568729.db2.gz WBXGGZLRTJFUFS-NEPJUHHUSA-N 0 0 249.354 3.552 20 0 BHADRN CCOc1ccc(OCC)c(NC[C@H]2C[C@@H]2C)c1 ZINC000488325335 528568231 /nfs/dbraw/zinc/56/82/31/528568231.db2.gz WBXGGZLRTJFUFS-NWDGAFQWSA-N 0 0 249.354 3.552 20 0 BHADRN CCOc1ccc(OCC)c(NC[C@@H]2C[C@@H]2C)c1 ZINC000488325336 528568121 /nfs/dbraw/zinc/56/81/21/528568121.db2.gz WBXGGZLRTJFUFS-RYUDHWBXSA-N 0 0 249.354 3.552 20 0 BHADRN CCOc1ccc(OCC)c(NC[C@H]2C[C@H]2C)c1 ZINC000488325337 528568316 /nfs/dbraw/zinc/56/83/16/528568316.db2.gz WBXGGZLRTJFUFS-VXGBXAGGSA-N 0 0 249.354 3.552 20 0 BHADRN C[C@@H]1C[C@H]1CNc1cccc(COCC2CC2)c1 ZINC000488326536 534030699 /nfs/dbraw/zinc/03/06/99/534030699.db2.gz UYNVOGIIIRXOHM-DOMZBBRYSA-N 0 0 245.366 3.681 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1cccc(COCC2CC2)c1 ZINC000488326538 533730546 /nfs/dbraw/zinc/73/05/46/533730546.db2.gz UYNVOGIIIRXOHM-IUODEOHRSA-N 0 0 245.366 3.681 20 0 BHADRN C[C@H]1C[C@@H]1CNc1cccc(COCC2CC2)c1 ZINC000488326539 225374167 /nfs/dbraw/zinc/37/41/67/225374167.db2.gz UYNVOGIIIRXOHM-SWLSCSKDSA-N 0 0 245.366 3.681 20 0 BHADRN C[C@H]1C[C@H]1CNc1cccc(COCC2CC2)c1 ZINC000488326540 225373249 /nfs/dbraw/zinc/37/32/49/225373249.db2.gz UYNVOGIIIRXOHM-WFASDCNBSA-N 0 0 245.366 3.681 20 0 BHADRN CC(C)OCc1cccc(NC[C@H]2C[C@@H]2C)c1 ZINC000488327212 528041156 /nfs/dbraw/zinc/04/11/56/528041156.db2.gz VILCPQNITQRBBD-GXTWGEPZSA-N 0 0 233.355 3.680 20 0 BHADRN CC(C)OCc1cccc(NC[C@@H]2C[C@@H]2C)c1 ZINC000488327213 528041610 /nfs/dbraw/zinc/04/16/10/528041610.db2.gz VILCPQNITQRBBD-JSGCOSHPSA-N 0 0 233.355 3.680 20 0 BHADRN CC(C)OCc1cccc(NC[C@@H]2C[C@H]2C)c1 ZINC000488327214 528041106 /nfs/dbraw/zinc/04/11/06/528041106.db2.gz VILCPQNITQRBBD-OCCSQVGLSA-N 0 0 233.355 3.680 20 0 BHADRN CC(C)OCc1cccc(NC[C@H]2C[C@H]2C)c1 ZINC000488327215 528040476 /nfs/dbraw/zinc/04/04/76/528040476.db2.gz VILCPQNITQRBBD-TZMCWYRMSA-N 0 0 233.355 3.680 20 0 BHADRN CC(C)C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000488328586 385751665 /nfs/dbraw/zinc/75/16/65/385751665.db2.gz NRPXFYQKAHSUIW-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000488328593 385751896 /nfs/dbraw/zinc/75/18/96/385751896.db2.gz NRPXFYQKAHSUIW-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN COc1ccc(F)c(NC2CCC3(CC3)CC2)c1 ZINC000488330229 533916775 /nfs/dbraw/zinc/91/67/75/533916775.db2.gz HPSYDDSVFFSQLJ-UHFFFAOYSA-N 0 0 249.329 3.969 20 0 BHADRN C[C@H]1C[C@@H]1CNc1cccc(CC(F)(F)F)c1 ZINC000488334066 225378343 /nfs/dbraw/zinc/37/83/43/225378343.db2.gz NKMZHSHLCVTRIL-GXSJLCMTSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@@H]1C[C@H]1CNc1cccc(CC(F)(F)F)c1 ZINC000488334069 534030780 /nfs/dbraw/zinc/03/07/80/534030780.db2.gz NKMZHSHLCVTRIL-KOLCDFICSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1cccc(CC(F)(F)F)c1 ZINC000488334070 533729837 /nfs/dbraw/zinc/72/98/37/533729837.db2.gz NKMZHSHLCVTRIL-MWLCHTKSSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@H]1C[C@H]1CNc1cccc(CC(F)(F)F)c1 ZINC000488334071 225374837 /nfs/dbraw/zinc/37/48/37/225374837.db2.gz NKMZHSHLCVTRIL-ONGXEEELSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccccc1CC(F)(F)F ZINC000488335218 225377383 /nfs/dbraw/zinc/37/73/83/225377383.db2.gz PVPLSXSUDIUAIV-GXSJLCMTSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccccc1CC(F)(F)F ZINC000488335219 534031339 /nfs/dbraw/zinc/03/13/39/534031339.db2.gz PVPLSXSUDIUAIV-KOLCDFICSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccccc1CC(F)(F)F ZINC000488335220 533730164 /nfs/dbraw/zinc/73/01/64/533730164.db2.gz PVPLSXSUDIUAIV-MWLCHTKSSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccccc1CC(F)(F)F ZINC000488335221 225377747 /nfs/dbraw/zinc/37/77/47/225377747.db2.gz PVPLSXSUDIUAIV-ONGXEEELSA-N 0 0 243.272 3.859 20 0 BHADRN COCc1cccc(NC2CCC3(CC3)CC2)c1 ZINC000488335725 533253108 /nfs/dbraw/zinc/25/31/08/533253108.db2.gz PCCVDFXDYDXRJR-UHFFFAOYSA-N 0 0 245.366 3.968 20 0 BHADRN O=C(C1CCC1)N1CCC[C@H]1CCC1CCCC1 ZINC000488335994 225377499 /nfs/dbraw/zinc/37/74/99/225377499.db2.gz YUFMCXNEQMYCDO-HNNXBMFYSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(C1CCC1)N1CCC[C@@H]1CCC1CCCC1 ZINC000488335996 225377386 /nfs/dbraw/zinc/37/73/86/225377386.db2.gz YUFMCXNEQMYCDO-OAHLLOKOSA-N 0 0 249.398 3.748 20 0 BHADRN CCC[C@]1(C(F)(F)F)CCCN1C[C@@H]1C[C@H]1C ZINC000488336901 528489134 /nfs/dbraw/zinc/48/91/34/528489134.db2.gz VCVREYUAKXHVBM-GRYCIOLGSA-N 0 0 249.320 3.839 20 0 BHADRN CCC[C@]1(C(F)(F)F)CCCN1C[C@H]1C[C@H]1C ZINC000488336902 528489620 /nfs/dbraw/zinc/48/96/20/528489620.db2.gz VCVREYUAKXHVBM-IJLUTSLNSA-N 0 0 249.320 3.839 20 0 BHADRN CCC[C@]1(C(F)(F)F)CCCN1C[C@H]1C[C@@H]1C ZINC000488336903 528489358 /nfs/dbraw/zinc/48/93/58/528489358.db2.gz VCVREYUAKXHVBM-QJPTWQEYSA-N 0 0 249.320 3.839 20 0 BHADRN CCC[C@]1(C(F)(F)F)CCCN1C[C@@H]1C[C@@H]1C ZINC000488336904 528489319 /nfs/dbraw/zinc/48/93/19/528489319.db2.gz VCVREYUAKXHVBM-SDDRHHMPSA-N 0 0 249.320 3.839 20 0 BHADRN CC(C)(C)[C@@H]1CCCN1C(=O)C[C@H]1C=CCCC1 ZINC000488337300 526653644 /nfs/dbraw/zinc/65/36/44/526653644.db2.gz RYLIIUNSIVPOCK-KBPBESRZSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)(C)[C@@H]1CCCN1C(=O)C[C@@H]1C=CCCC1 ZINC000488337301 526654727 /nfs/dbraw/zinc/65/47/27/526654727.db2.gz RYLIIUNSIVPOCK-KGLIPLIRSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)(C)[C@H]1CCCN1C(=O)C[C@H]1C=CCCC1 ZINC000488337302 526722337 /nfs/dbraw/zinc/72/23/37/526722337.db2.gz RYLIIUNSIVPOCK-UONOGXRCSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)(C)[C@H]1CCCN1C(=O)C[C@@H]1C=CCCC1 ZINC000488337303 526722235 /nfs/dbraw/zinc/72/22/35/526722235.db2.gz RYLIIUNSIVPOCK-ZIAGYGMSSA-N 0 0 249.398 3.770 20 0 BHADRN Cc1ccc(NC[C@H]2C[C@H]2C)cc1OC(F)F ZINC000488339594 225378884 /nfs/dbraw/zinc/37/88/84/225378884.db2.gz OCAXCYQHDIFSKR-NXEZZACHSA-N 0 0 241.281 3.664 20 0 BHADRN Cc1ccc(NC[C@@H]2C[C@@H]2C)cc1OC(F)F ZINC000488339595 225379861 /nfs/dbraw/zinc/37/98/61/225379861.db2.gz OCAXCYQHDIFSKR-UWVGGRQHSA-N 0 0 241.281 3.664 20 0 BHADRN Cc1ccc(NC[C@H]2C[C@@H]2C)cc1OC(F)F ZINC000488339596 225379445 /nfs/dbraw/zinc/37/94/45/225379445.db2.gz OCAXCYQHDIFSKR-VHSXEESVSA-N 0 0 241.281 3.664 20 0 BHADRN Cc1ccc(NC[C@@H]2C[C@H]2C)cc1OC(F)F ZINC000488339597 225378630 /nfs/dbraw/zinc/37/86/30/225378630.db2.gz OCAXCYQHDIFSKR-ZJUUUORDSA-N 0 0 241.281 3.664 20 0 BHADRN Cc1coc(-c2cccc(NC[C@@H]3C[C@@H]3C)c2)n1 ZINC000488339902 225378894 /nfs/dbraw/zinc/37/88/94/225378894.db2.gz OTJIZPFOELGJHX-GWCFXTLKSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1coc(-c2cccc(NC[C@H]3C[C@@H]3C)c2)n1 ZINC000488339903 225379376 /nfs/dbraw/zinc/37/93/76/225379376.db2.gz OTJIZPFOELGJHX-GXFFZTMASA-N 0 0 242.322 3.718 20 0 BHADRN Cc1coc(-c2cccc(NC[C@@H]3C[C@H]3C)c2)n1 ZINC000488339904 225380250 /nfs/dbraw/zinc/38/02/50/225380250.db2.gz OTJIZPFOELGJHX-MFKMUULPSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1coc(-c2cccc(NC[C@H]3C[C@H]3C)c2)n1 ZINC000488339905 219873387 /nfs/dbraw/zinc/87/33/87/219873387.db2.gz OTJIZPFOELGJHX-ZWNOBZJWSA-N 0 0 242.322 3.718 20 0 BHADRN COc1ccc(OC(C)C)c(NC[C@@H]2C[C@H]2C)c1 ZINC000488339917 534216257 /nfs/dbraw/zinc/21/62/57/534216257.db2.gz OXGZVBHJCOWIAP-NEPJUHHUSA-N 0 0 249.354 3.550 20 0 BHADRN COc1ccc(OC(C)C)c(NC[C@H]2C[C@@H]2C)c1 ZINC000488339918 534216226 /nfs/dbraw/zinc/21/62/26/534216226.db2.gz OXGZVBHJCOWIAP-NWDGAFQWSA-N 0 0 249.354 3.550 20 0 BHADRN COc1ccc(OC(C)C)c(NC[C@@H]2C[C@@H]2C)c1 ZINC000488339919 385751765 /nfs/dbraw/zinc/75/17/65/385751765.db2.gz OXGZVBHJCOWIAP-RYUDHWBXSA-N 0 0 249.354 3.550 20 0 BHADRN COc1ccc(OC(C)C)c(NC[C@H]2C[C@H]2C)c1 ZINC000488339920 385751306 /nfs/dbraw/zinc/75/13/06/385751306.db2.gz OXGZVBHJCOWIAP-VXGBXAGGSA-N 0 0 249.354 3.550 20 0 BHADRN c1[nH]nc2ccc(NC3CCC4(CC4)CC3)cc12 ZINC000488340526 225379810 /nfs/dbraw/zinc/37/98/10/225379810.db2.gz RGHXRCLTWPMXIK-UHFFFAOYSA-N 0 0 241.338 3.698 20 0 BHADRN Cc1ccc(NC[C@@H]2C[C@H]2C)cc1-c1ncco1 ZINC000488341715 225378982 /nfs/dbraw/zinc/37/89/82/225378982.db2.gz VUMRCMYCVULQNJ-NEPJUHHUSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ccc(NC[C@H]2C[C@@H]2C)cc1-c1ncco1 ZINC000488341718 225378685 /nfs/dbraw/zinc/37/86/85/225378685.db2.gz VUMRCMYCVULQNJ-NWDGAFQWSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ccc(NC[C@@H]2C[C@@H]2C)cc1-c1ncco1 ZINC000488341720 225380039 /nfs/dbraw/zinc/38/00/39/225380039.db2.gz VUMRCMYCVULQNJ-RYUDHWBXSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ccc(NC[C@H]2C[C@H]2C)cc1-c1ncco1 ZINC000488341722 225379111 /nfs/dbraw/zinc/37/91/11/225379111.db2.gz VUMRCMYCVULQNJ-VXGBXAGGSA-N 0 0 242.322 3.718 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccc(-c2nccs2)cc1 ZINC000488341767 225379577 /nfs/dbraw/zinc/37/95/77/225379577.db2.gz ABXFRVJAGJLAJW-CMPLNLGQSA-N 0 0 244.363 3.878 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccc(-c2nccs2)cc1 ZINC000488341768 225379336 /nfs/dbraw/zinc/37/93/36/225379336.db2.gz ABXFRVJAGJLAJW-JQWIXIFHSA-N 0 0 244.363 3.878 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccc(-c2nccs2)cc1 ZINC000488341769 225378676 /nfs/dbraw/zinc/37/86/76/225378676.db2.gz ABXFRVJAGJLAJW-PWSUYJOCSA-N 0 0 244.363 3.878 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccc(-c2nccs2)cc1 ZINC000488341770 533730527 /nfs/dbraw/zinc/73/05/27/533730527.db2.gz ABXFRVJAGJLAJW-ZYHUDNBSSA-N 0 0 244.363 3.878 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccccc1OCC1CC1 ZINC000488343263 225379010 /nfs/dbraw/zinc/37/90/10/225379010.db2.gz ABRKGVFTEMRQCW-AAEUAGOBSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccccc1OCC1CC1 ZINC000488343266 533730832 /nfs/dbraw/zinc/73/08/32/533730832.db2.gz ABRKGVFTEMRQCW-DGCLKSJQSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccccc1OCC1CC1 ZINC000488343267 225380178 /nfs/dbraw/zinc/38/01/78/225380178.db2.gz ABRKGVFTEMRQCW-WCQYABFASA-N 0 0 231.339 3.543 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccccc1OCC1CC1 ZINC000488343270 534030831 /nfs/dbraw/zinc/03/08/31/534030831.db2.gz ABRKGVFTEMRQCW-YPMHNXCESA-N 0 0 231.339 3.543 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccccc1OC(C)(C)C ZINC000488346407 534031435 /nfs/dbraw/zinc/03/14/35/534031435.db2.gz GJEPASJWHKBEEK-NEPJUHHUSA-N 0 0 233.355 3.932 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccccc1OC(C)(C)C ZINC000488346408 225381392 /nfs/dbraw/zinc/38/13/92/225381392.db2.gz GJEPASJWHKBEEK-NWDGAFQWSA-N 0 0 233.355 3.932 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccccc1OC(C)(C)C ZINC000488346409 225382226 /nfs/dbraw/zinc/38/22/26/225382226.db2.gz GJEPASJWHKBEEK-RYUDHWBXSA-N 0 0 233.355 3.932 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccccc1OC(C)(C)C ZINC000488346410 533730007 /nfs/dbraw/zinc/73/00/07/533730007.db2.gz GJEPASJWHKBEEK-VXGBXAGGSA-N 0 0 233.355 3.932 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccc(CC(F)(F)F)cc1 ZINC000488347235 225382041 /nfs/dbraw/zinc/38/20/41/225382041.db2.gz LAVJSXCYFICMDS-GXSJLCMTSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccc(CC(F)(F)F)cc1 ZINC000488347236 225380561 /nfs/dbraw/zinc/38/05/61/225380561.db2.gz LAVJSXCYFICMDS-KOLCDFICSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccc(CC(F)(F)F)cc1 ZINC000488347237 533730972 /nfs/dbraw/zinc/73/09/72/533730972.db2.gz LAVJSXCYFICMDS-MWLCHTKSSA-N 0 0 243.272 3.859 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccc(CC(F)(F)F)cc1 ZINC000488347238 225382084 /nfs/dbraw/zinc/38/20/84/225382084.db2.gz LAVJSXCYFICMDS-ONGXEEELSA-N 0 0 243.272 3.859 20 0 BHADRN Cc1ncc(-c2ccc(NC[C@@H]3C[C@@H]3C)cc2)o1 ZINC000488350081 225383226 /nfs/dbraw/zinc/38/32/26/225383226.db2.gz PZSLCYFIEWOWCS-GWCFXTLKSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ncc(-c2ccc(NC[C@H]3C[C@@H]3C)cc2)o1 ZINC000488350082 225383948 /nfs/dbraw/zinc/38/39/48/225383948.db2.gz PZSLCYFIEWOWCS-GXFFZTMASA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ncc(-c2ccc(NC[C@@H]3C[C@H]3C)cc2)o1 ZINC000488350083 225383621 /nfs/dbraw/zinc/38/36/21/225383621.db2.gz PZSLCYFIEWOWCS-MFKMUULPSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ncc(-c2ccc(NC[C@H]3C[C@H]3C)cc2)o1 ZINC000488350084 225383617 /nfs/dbraw/zinc/38/36/17/225383617.db2.gz PZSLCYFIEWOWCS-ZWNOBZJWSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1cnc(-c2cccc(NC[C@@H]3C[C@@H]3C)c2)o1 ZINC000488353328 534517818 /nfs/dbraw/zinc/51/78/18/534517818.db2.gz UIXAGZCDJIRYAM-GWCFXTLKSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1cnc(-c2cccc(NC[C@H]3C[C@@H]3C)c2)o1 ZINC000488353329 534518361 /nfs/dbraw/zinc/51/83/61/534518361.db2.gz UIXAGZCDJIRYAM-GXFFZTMASA-N 0 0 242.322 3.718 20 0 BHADRN Cc1cnc(-c2cccc(NC[C@@H]3C[C@H]3C)c2)o1 ZINC000488353330 534517590 /nfs/dbraw/zinc/51/75/90/534517590.db2.gz UIXAGZCDJIRYAM-MFKMUULPSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1cnc(-c2cccc(NC[C@H]3C[C@H]3C)c2)o1 ZINC000488353331 534518056 /nfs/dbraw/zinc/51/80/56/534518056.db2.gz UIXAGZCDJIRYAM-ZWNOBZJWSA-N 0 0 242.322 3.718 20 0 BHADRN C[C@@H]1C[C@H]1CNc1cccc(OC(F)(F)F)c1 ZINC000488353336 534031597 /nfs/dbraw/zinc/03/15/97/534031597.db2.gz UKRQVQSTZUIUIJ-BDAKNGLRSA-N 0 0 245.244 3.653 20 0 BHADRN C[C@H]1C[C@@H]1CNc1cccc(OC(F)(F)F)c1 ZINC000488353337 225383049 /nfs/dbraw/zinc/38/30/49/225383049.db2.gz UKRQVQSTZUIUIJ-DTWKUNHWSA-N 0 0 245.244 3.653 20 0 BHADRN C[C@H]1C[C@H]1CNc1cccc(OC(F)(F)F)c1 ZINC000488353338 225382945 /nfs/dbraw/zinc/38/29/45/225382945.db2.gz UKRQVQSTZUIUIJ-IUCAKERBSA-N 0 0 245.244 3.653 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1cccc(OC(F)(F)F)c1 ZINC000488353339 533729981 /nfs/dbraw/zinc/72/99/81/533729981.db2.gz UKRQVQSTZUIUIJ-RKDXNWHRSA-N 0 0 245.244 3.653 20 0 BHADRN COc1ccccc1NC1CCC2(CC2)CC1 ZINC000488362010 534184190 /nfs/dbraw/zinc/18/41/90/534184190.db2.gz YZTUPFHBYIJYEV-UHFFFAOYSA-N 0 0 231.339 3.830 20 0 BHADRN CCc1cccc(N[C@H]2CCCOCC2)c1CC ZINC000488364079 538914029 /nfs/dbraw/zinc/91/40/29/538914029.db2.gz GKQJVERNABYIHE-AWEZNQCLSA-N 0 0 247.382 3.792 20 0 BHADRN CCc1cccc(N[C@@H]2CCCOCC2)c1CC ZINC000488364080 538914143 /nfs/dbraw/zinc/91/41/43/538914143.db2.gz GKQJVERNABYIHE-CQSZACIVSA-N 0 0 247.382 3.792 20 0 BHADRN CCc1cccc(N[C@H](C)CCOC)c1CC ZINC000488364971 538914097 /nfs/dbraw/zinc/91/40/97/538914097.db2.gz IDCFYEWEAKGSDR-GFCCVEGCSA-N 0 0 235.371 3.648 20 0 BHADRN CCc1cccc(N[C@@H](C)CCOC)c1CC ZINC000488364972 538914115 /nfs/dbraw/zinc/91/41/15/538914115.db2.gz IDCFYEWEAKGSDR-LBPRGKRZSA-N 0 0 235.371 3.648 20 0 BHADRN Cc1cc(NC(=O)C[C@@H]2C=CCCC2)ccc1F ZINC000488366468 533951166 /nfs/dbraw/zinc/95/11/66/533951166.db2.gz LFWGKRZOVZZXKB-GFCCVEGCSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cc(NC(=O)C[C@H]2C=CCCC2)ccc1F ZINC000488366469 225387629 /nfs/dbraw/zinc/38/76/29/225387629.db2.gz LFWGKRZOVZZXKB-LBPRGKRZSA-N 0 0 247.313 3.819 20 0 BHADRN CCOC[C@@H](C)Nc1cccc(CC)c1CC ZINC000488369092 538914090 /nfs/dbraw/zinc/91/40/90/538914090.db2.gz DPRIDPVLQGSYIR-GFCCVEGCSA-N 0 0 235.371 3.648 20 0 BHADRN CCOC[C@H](C)Nc1cccc(CC)c1CC ZINC000488369093 538914043 /nfs/dbraw/zinc/91/40/43/538914043.db2.gz DPRIDPVLQGSYIR-LBPRGKRZSA-N 0 0 235.371 3.648 20 0 BHADRN CC[C@@H](NC(=O)C[C@@H]1C=CCCC1)C(C)(C)C ZINC000488372527 529600493 /nfs/dbraw/zinc/60/04/93/529600493.db2.gz VYRRCZVWQFVMTH-CHWSQXEVSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](NC(=O)C[C@@H]1C=CCCC1)C(C)(C)C ZINC000488372529 529480319 /nfs/dbraw/zinc/48/03/19/529480319.db2.gz VYRRCZVWQFVMTH-OLZOCXBDSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@@H](NC(=O)C[C@H]1C=CCCC1)C(C)(C)C ZINC000488372530 529600521 /nfs/dbraw/zinc/60/05/21/529600521.db2.gz VYRRCZVWQFVMTH-QWHCGFSZSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](NC(=O)C[C@H]1C=CCCC1)C(C)(C)C ZINC000488372532 529481182 /nfs/dbraw/zinc/48/11/82/529481182.db2.gz VYRRCZVWQFVMTH-STQMWFEESA-N 0 0 237.387 3.674 20 0 BHADRN CCc1cccc(NCC[C@@H]2CCOC2)c1CC ZINC000488377805 538914626 /nfs/dbraw/zinc/91/46/26/538914626.db2.gz HTNZDNPCYVEUPP-CYBMUJFWSA-N 0 0 247.382 3.650 20 0 BHADRN CCc1cccc(NCC[C@H]2CCOC2)c1CC ZINC000488377806 538914252 /nfs/dbraw/zinc/91/42/52/538914252.db2.gz HTNZDNPCYVEUPP-ZDUSSCGKSA-N 0 0 247.382 3.650 20 0 BHADRN CCc1cccc(N[C@@H]2CCO[C@@H](C)C2)c1CC ZINC000488379345 538914406 /nfs/dbraw/zinc/91/44/06/538914406.db2.gz MDKDXKNDPWHSGT-GXTWGEPZSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1cccc(N[C@H]2CCO[C@@H](C)C2)c1CC ZINC000488379347 538914426 /nfs/dbraw/zinc/91/44/26/538914426.db2.gz MDKDXKNDPWHSGT-JSGCOSHPSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1cccc(N[C@H]2CCO[C@H](C)C2)c1CC ZINC000488379348 538914741 /nfs/dbraw/zinc/91/47/41/538914741.db2.gz MDKDXKNDPWHSGT-OCCSQVGLSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1cccc(N[C@@H]2CCO[C@H](C)C2)c1CC ZINC000488379350 538914455 /nfs/dbraw/zinc/91/44/55/538914455.db2.gz MDKDXKNDPWHSGT-TZMCWYRMSA-N 0 0 247.382 3.791 20 0 BHADRN Cc1cccc2c(N[C@H](C)CC3CC3)ncnc12 ZINC000488379868 225388914 /nfs/dbraw/zinc/38/89/14/225388914.db2.gz OAKPODINXQUVNC-LLVKDONJSA-N 0 0 241.338 3.539 20 0 BHADRN Cc1cccc2c(N[C@@H](C)CC3CC3)ncnc12 ZINC000488379869 225389642 /nfs/dbraw/zinc/38/96/42/225389642.db2.gz OAKPODINXQUVNC-NSHDSACASA-N 0 0 241.338 3.539 20 0 BHADRN Cc1cccc2c(NC3(C)CCCC3)ncnc12 ZINC000488383649 225389721 /nfs/dbraw/zinc/38/97/21/225389721.db2.gz HTKFMTJYZHRGHV-UHFFFAOYSA-N 0 0 241.338 3.683 20 0 BHADRN CCc1cccc(N[C@H](CC)COC)c1CC ZINC000488385122 538914193 /nfs/dbraw/zinc/91/41/93/538914193.db2.gz JHXBVCYUYPWGTI-CYBMUJFWSA-N 0 0 235.371 3.648 20 0 BHADRN CCc1cccc(N[C@@H](CC)COC)c1CC ZINC000488385123 538914298 /nfs/dbraw/zinc/91/42/98/538914298.db2.gz JHXBVCYUYPWGTI-ZDUSSCGKSA-N 0 0 235.371 3.648 20 0 BHADRN CC(C)CCn1ncc(NC(C)C)c1C(C)C ZINC000488390334 527887849 /nfs/dbraw/zinc/88/78/49/527887849.db2.gz AGYBEJNUNTTZEZ-UHFFFAOYSA-N 0 0 237.391 3.873 20 0 BHADRN CCC[C@@H](C)N(C)c1ncnc2c(C)cccc21 ZINC000488392185 528889754 /nfs/dbraw/zinc/88/97/54/528889754.db2.gz ZMHVDBLKWCTMRV-GFCCVEGCSA-N 0 0 243.354 3.563 20 0 BHADRN CCC[C@H](C)N(C)c1ncnc2c(C)cccc21 ZINC000488392186 528049339 /nfs/dbraw/zinc/04/93/39/528049339.db2.gz ZMHVDBLKWCTMRV-LBPRGKRZSA-N 0 0 243.354 3.563 20 0 BHADRN Cc1nc2ccc(NC3CC(C(C)C)C3)cc2o1 ZINC000488411125 225392437 /nfs/dbraw/zinc/39/24/37/225392437.db2.gz JSBXNXWLPSUNGC-UHFFFAOYSA-N 0 0 244.338 3.983 20 0 BHADRN CCCCC(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000488419282 528092302 /nfs/dbraw/zinc/09/23/02/528092302.db2.gz OQYNJZBNJUMTTN-UHFFFAOYSA-N 0 0 249.354 3.911 20 0 BHADRN Cc1ccc(NC(=O)C(C)(C)C)cc1OC(C)C ZINC000488421168 225393505 /nfs/dbraw/zinc/39/35/05/225393505.db2.gz RXKTWJCEPPKLSA-UHFFFAOYSA-N 0 0 249.354 3.767 20 0 BHADRN CCCN(Cc1ccco1)c1ccccc1 ZINC000488423473 528148956 /nfs/dbraw/zinc/14/89/56/528148956.db2.gz WYWNTTFIQZSTFE-UHFFFAOYSA-N 0 0 215.296 3.696 20 0 BHADRN Cc1cc2cccnc2c(NC[C@@H]2C[C@@H]2C)c1 ZINC000488427581 225396563 /nfs/dbraw/zinc/39/65/63/225396563.db2.gz GEVLDMKMUGIZFS-AAEUAGOBSA-N 0 0 226.323 3.611 20 0 BHADRN Cc1cc2cccnc2c(NC[C@H]2C[C@H]2C)c1 ZINC000488427584 225396591 /nfs/dbraw/zinc/39/65/91/225396591.db2.gz GEVLDMKMUGIZFS-DGCLKSJQSA-N 0 0 226.323 3.611 20 0 BHADRN Cc1cc2cccnc2c(NC[C@H]2C[C@@H]2C)c1 ZINC000488427586 224709470 /nfs/dbraw/zinc/70/94/70/224709470.db2.gz GEVLDMKMUGIZFS-WCQYABFASA-N 0 0 226.323 3.611 20 0 BHADRN Cc1cc2cccnc2c(NC[C@@H]2C[C@H]2C)c1 ZINC000488427589 385777249 /nfs/dbraw/zinc/77/72/49/385777249.db2.gz GEVLDMKMUGIZFS-YPMHNXCESA-N 0 0 226.323 3.611 20 0 BHADRN CCCC(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000488429268 527956310 /nfs/dbraw/zinc/95/63/10/527956310.db2.gz DRHSHTYTWBIIKE-UHFFFAOYSA-N 0 0 235.327 3.521 20 0 BHADRN COc1ccc(C)nc1NC1CCC2(CC2)CC1 ZINC000488430598 225395460 /nfs/dbraw/zinc/39/54/60/225395460.db2.gz KECSZYCKOYTXAJ-UHFFFAOYSA-N 0 0 246.354 3.533 20 0 BHADRN CC[C@H](C)n1ncc(NC[C@H]2C[C@@H]2C)c1C1CC1 ZINC000488435972 529293786 /nfs/dbraw/zinc/29/37/86/529293786.db2.gz AYOZABPTEBWRAF-GMXVVIOVSA-N 0 0 247.386 3.799 20 0 BHADRN CC[C@H](C)n1ncc(NC[C@@H]2C[C@@H]2C)c1C1CC1 ZINC000488435973 529293987 /nfs/dbraw/zinc/29/39/87/529293987.db2.gz AYOZABPTEBWRAF-GVXVVHGQSA-N 0 0 247.386 3.799 20 0 BHADRN CC[C@H](C)n1ncc(NC[C@@H]2C[C@H]2C)c1C1CC1 ZINC000488435974 529294167 /nfs/dbraw/zinc/29/41/67/529294167.db2.gz AYOZABPTEBWRAF-MDZLAQPJSA-N 0 0 247.386 3.799 20 0 BHADRN CC[C@H](C)n1ncc(NC[C@H]2C[C@H]2C)c1C1CC1 ZINC000488435975 529293958 /nfs/dbraw/zinc/29/39/58/529293958.db2.gz AYOZABPTEBWRAF-NTZNESFSSA-N 0 0 247.386 3.799 20 0 BHADRN Cc1ccc(NC2CCC3(CC3)CC2)c(C)n1 ZINC000488436963 225397186 /nfs/dbraw/zinc/39/71/86/225397186.db2.gz CNHQOAGZCUKMCE-UHFFFAOYSA-N 0 0 230.355 3.833 20 0 BHADRN CCCCn1ncc(NC2CC(C(C)C)C2)c1C ZINC000488438130 219873902 /nfs/dbraw/zinc/87/39/02/219873902.db2.gz FNVXPROIHGSHPG-UHFFFAOYSA-N 0 0 249.402 3.838 20 0 BHADRN Cc1c(NC2CC(C(C)C)C2)cnn1CC(C)C ZINC000488445251 388179219 /nfs/dbraw/zinc/17/92/19/388179219.db2.gz RNVNRYJBIYKLIL-UHFFFAOYSA-N 0 0 249.402 3.694 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccc2oc(C3CC3)nc2c1 ZINC000488446726 388179298 /nfs/dbraw/zinc/17/92/98/388179298.db2.gz UVWZRWPHNUMWCV-GXSJLCMTSA-N 0 0 242.322 3.773 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccc2oc(C3CC3)nc2c1 ZINC000488446965 388179491 /nfs/dbraw/zinc/17/94/91/388179491.db2.gz UVWZRWPHNUMWCV-KOLCDFICSA-N 0 0 242.322 3.773 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccc2oc(C3CC3)nc2c1 ZINC000488446966 388179222 /nfs/dbraw/zinc/17/92/22/388179222.db2.gz UVWZRWPHNUMWCV-MWLCHTKSSA-N 0 0 242.322 3.773 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccc2oc(C3CC3)nc2c1 ZINC000488446967 388179228 /nfs/dbraw/zinc/17/92/28/388179228.db2.gz UVWZRWPHNUMWCV-ONGXEEELSA-N 0 0 242.322 3.773 20 0 BHADRN CSc1ccc(NC2CCC3(CC3)CC2)nc1 ZINC000488447556 388179525 /nfs/dbraw/zinc/17/95/25/388179525.db2.gz JTFJCSPCGXZFNZ-UHFFFAOYSA-N 0 0 248.395 3.938 20 0 BHADRN CC(C)Cn1ncc(NC[C@H]2C[C@H]2C)c1C(C)C ZINC000488448689 388180517 /nfs/dbraw/zinc/18/05/17/388180517.db2.gz LXEOELQVZIGFGN-CHWSQXEVSA-N 0 0 249.402 3.730 20 0 BHADRN CC(C)Cn1ncc(NC[C@@H]2C[C@H]2C)c1C(C)C ZINC000488448690 528752734 /nfs/dbraw/zinc/75/27/34/528752734.db2.gz LXEOELQVZIGFGN-OLZOCXBDSA-N 0 0 249.402 3.730 20 0 BHADRN CC(C)Cn1ncc(NC[C@H]2C[C@@H]2C)c1C(C)C ZINC000488448691 388180308 /nfs/dbraw/zinc/18/03/08/388180308.db2.gz LXEOELQVZIGFGN-QWHCGFSZSA-N 0 0 249.402 3.730 20 0 BHADRN CC(C)Cn1ncc(NC[C@@H]2C[C@@H]2C)c1C(C)C ZINC000488448692 388180488 /nfs/dbraw/zinc/18/04/88/388180488.db2.gz LXEOELQVZIGFGN-STQMWFEESA-N 0 0 249.402 3.730 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000488450014 388180477 /nfs/dbraw/zinc/18/04/77/388180477.db2.gz QJPPTWQFWMTMOZ-LLVKDONJSA-N 0 0 249.354 3.767 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000488450016 388180548 /nfs/dbraw/zinc/18/05/48/388180548.db2.gz QJPPTWQFWMTMOZ-NSHDSACASA-N 0 0 249.354 3.767 20 0 BHADRN Cc1cnc(N(C)Cc2cccc(C)c2C)s1 ZINC000488450053 225402582 /nfs/dbraw/zinc/40/25/82/225402582.db2.gz QROUTFOLWVMQOW-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN Cc1ccc(NC(=O)CC(C)C)cc1OC(C)C ZINC000488450993 388180675 /nfs/dbraw/zinc/18/06/75/388180675.db2.gz UHWRENGBWWTTLJ-UHFFFAOYSA-N 0 0 249.354 3.767 20 0 BHADRN Cc1ccc(NC(=O)CC2CC2)cc1OC(C)C ZINC000488451658 487993103 /nfs/dbraw/zinc/99/31/03/487993103.db2.gz TUBGWOMPFIOENX-UHFFFAOYSA-N 0 0 247.338 3.521 20 0 BHADRN C[C@H]1C[C@@H]1CNc1ccc2nc(C3CC3)oc2c1 ZINC000488452748 225402517 /nfs/dbraw/zinc/40/25/17/225402517.db2.gz BFJHFLOFBPPSOI-GXSJLCMTSA-N 0 0 242.322 3.773 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccc2nc(C3CC3)oc2c1 ZINC000488452749 388180147 /nfs/dbraw/zinc/18/01/47/388180147.db2.gz BFJHFLOFBPPSOI-KOLCDFICSA-N 0 0 242.322 3.773 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccc2nc(C3CC3)oc2c1 ZINC000488452750 533729773 /nfs/dbraw/zinc/72/97/73/533729773.db2.gz BFJHFLOFBPPSOI-MWLCHTKSSA-N 0 0 242.322 3.773 20 0 BHADRN C[C@H]1C[C@H]1CNc1ccc2nc(C3CC3)oc2c1 ZINC000488452751 388180506 /nfs/dbraw/zinc/18/05/06/388180506.db2.gz BFJHFLOFBPPSOI-ONGXEEELSA-N 0 0 242.322 3.773 20 0 BHADRN FC1(F)CCCC[C@@H](CNc2ccccn2)C1 ZINC000488454987 388180375 /nfs/dbraw/zinc/18/03/75/388180375.db2.gz DYFXMDLWBVPYBE-LLVKDONJSA-N 0 0 240.297 3.709 20 0 BHADRN FC1(F)CCCC[C@H](CNc2ccccn2)C1 ZINC000488454997 388180679 /nfs/dbraw/zinc/18/06/79/388180679.db2.gz DYFXMDLWBVPYBE-NSHDSACASA-N 0 0 240.297 3.709 20 0 BHADRN c1cc2c(c(NC3CCC4(CC4)CC3)c1)OCO2 ZINC000488455723 388180273 /nfs/dbraw/zinc/18/02/73/388180273.db2.gz FYUMNQWWTUFJKL-UHFFFAOYSA-N 0 0 245.322 3.550 20 0 BHADRN FC(F)(F)CN1CCC[C@@H]1CC1CCCCC1 ZINC000488458889 388181325 /nfs/dbraw/zinc/18/13/25/388181325.db2.gz KMBUQEZXVJWVSN-GFCCVEGCSA-N 0 0 249.320 3.984 20 0 BHADRN FC(F)(F)CN1CCC[C@H]1CC1CCCCC1 ZINC000488458890 388181294 /nfs/dbraw/zinc/18/12/94/388181294.db2.gz KMBUQEZXVJWVSN-LBPRGKRZSA-N 0 0 249.320 3.984 20 0 BHADRN COc1ccc(F)cc1NC1CCC2(CC2)CC1 ZINC000488459282 533953225 /nfs/dbraw/zinc/95/32/25/533953225.db2.gz IWUICDPQTBUCPV-UHFFFAOYSA-N 0 0 249.329 3.969 20 0 BHADRN COc1ccc(F)cc1NC1CC(C(C)C)C1 ZINC000488465428 533953522 /nfs/dbraw/zinc/95/35/22/533953522.db2.gz OWGUYBZECDZMNP-UHFFFAOYSA-N 0 0 237.318 3.681 20 0 BHADRN CCc1cccnc1NC1CCC2(CC2)CC1 ZINC000488469894 388181157 /nfs/dbraw/zinc/18/11/57/388181157.db2.gz BFHWILBLUVDWEI-UHFFFAOYSA-N 0 0 230.355 3.779 20 0 BHADRN CC(C)[C@H](NC1CCC2(CC2)CC1)C(F)(F)F ZINC000488469908 388181367 /nfs/dbraw/zinc/18/13/67/388181367.db2.gz BGZPFTLNNSZLJO-NSHDSACASA-N 0 0 249.320 3.886 20 0 BHADRN CCc1cccc(N[C@@H](C)[C@H]2CCCO2)c1CC ZINC000488472523 538914493 /nfs/dbraw/zinc/91/44/93/538914493.db2.gz YSNWNJBOQWYFCT-BLLLJJGKSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1cccc(N[C@@H](C)[C@@H]2CCCO2)c1CC ZINC000488472526 538914399 /nfs/dbraw/zinc/91/43/99/538914399.db2.gz YSNWNJBOQWYFCT-LRDDRELGSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1cccc(N[C@H](C)[C@H]2CCCO2)c1CC ZINC000488472528 538914402 /nfs/dbraw/zinc/91/44/02/538914402.db2.gz YSNWNJBOQWYFCT-MLGOLLRUSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1cccc(N[C@H](C)[C@@H]2CCCO2)c1CC ZINC000488472530 538914207 /nfs/dbraw/zinc/91/42/07/538914207.db2.gz YSNWNJBOQWYFCT-WBMJQRKESA-N 0 0 247.382 3.791 20 0 BHADRN CCc1cccc(N[C@H](C)[C@H](C)OC)c1CC ZINC000488473005 538914330 /nfs/dbraw/zinc/91/43/30/538914330.db2.gz ZHTPLXHVBQKDBQ-NEPJUHHUSA-N 0 0 235.371 3.647 20 0 BHADRN CCc1cccc(N[C@@H](C)[C@@H](C)OC)c1CC ZINC000488473006 538914534 /nfs/dbraw/zinc/91/45/34/538914534.db2.gz ZHTPLXHVBQKDBQ-NWDGAFQWSA-N 0 0 235.371 3.647 20 0 BHADRN CCc1cccc(N[C@@H](C)[C@H](C)OC)c1CC ZINC000488473008 538914623 /nfs/dbraw/zinc/91/46/23/538914623.db2.gz ZHTPLXHVBQKDBQ-RYUDHWBXSA-N 0 0 235.371 3.647 20 0 BHADRN CCc1cccc(N[C@H](C)[C@@H](C)OC)c1CC ZINC000488473009 538914237 /nfs/dbraw/zinc/91/42/37/538914237.db2.gz ZHTPLXHVBQKDBQ-VXGBXAGGSA-N 0 0 235.371 3.647 20 0 BHADRN FCCCSc1ccc2c(c1)CCC2 ZINC000488475080 388182635 /nfs/dbraw/zinc/18/26/35/388182635.db2.gz GZHVBEMPWMEPML-UHFFFAOYSA-N 0 0 210.317 3.627 20 0 BHADRN CC(C)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000488479156 388182227 /nfs/dbraw/zinc/18/22/27/388182227.db2.gz NTIWLMIUVICFBH-UHFFFAOYSA-N 0 0 243.354 3.816 20 0 BHADRN CC(C)C1CC(Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000488481613 388182081 /nfs/dbraw/zinc/18/20/81/388182081.db2.gz DTMOJJMNXFLRAL-LMWSTFAQSA-N 0 0 247.386 3.701 20 0 BHADRN CC(C)C1CC(Nc2cnn([C@@H](C)C3CC3)c2)C1 ZINC000488481614 517408459 /nfs/dbraw/zinc/40/84/59/517408459.db2.gz DTMOJJMNXFLRAL-XGNXJENSSA-N 0 0 247.386 3.701 20 0 BHADRN CC(C)(C)n1cc(NC2CCC3(CC3)CC2)cn1 ZINC000488482518 538914398 /nfs/dbraw/zinc/91/43/98/538914398.db2.gz HQDFQXRYQFPFBB-UHFFFAOYSA-N 0 0 247.386 3.773 20 0 BHADRN CC(C)Cn1cc(NC2CCC3(CC3)CC2)cn1 ZINC000488483287 388182123 /nfs/dbraw/zinc/18/21/23/388182123.db2.gz GVVDGZQFLYUVQZ-UHFFFAOYSA-N 0 0 247.386 3.674 20 0 BHADRN Fc1cc(C2CC2)ccc1CNc1ccccn1 ZINC000488494331 388182146 /nfs/dbraw/zinc/18/21/46/388182146.db2.gz YTPVJQHBKGGJPW-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN COc1cc(NC2CCC3(CC3)CC2)ccc1F ZINC000488507242 219874492 /nfs/dbraw/zinc/87/44/92/219874492.db2.gz QFGOIXZHZDXBQC-UHFFFAOYSA-N 0 0 249.329 3.969 20 0 BHADRN CCN(C[C@@H]1C[C@@H]1C)c1ccc2[nH]ccc2c1 ZINC000488514387 388183444 /nfs/dbraw/zinc/18/34/44/388183444.db2.gz JIDVCYTXJXJDSU-AAEUAGOBSA-N 0 0 228.339 3.650 20 0 BHADRN CCN(C[C@H]1C[C@H]1C)c1ccc2[nH]ccc2c1 ZINC000488514388 388182858 /nfs/dbraw/zinc/18/28/58/388182858.db2.gz JIDVCYTXJXJDSU-DGCLKSJQSA-N 0 0 228.339 3.650 20 0 BHADRN CCN(C[C@H]1C[C@@H]1C)c1ccc2[nH]ccc2c1 ZINC000488514389 388183279 /nfs/dbraw/zinc/18/32/79/388183279.db2.gz JIDVCYTXJXJDSU-WCQYABFASA-N 0 0 228.339 3.650 20 0 BHADRN CCN(C[C@@H]1C[C@H]1C)c1ccc2[nH]ccc2c1 ZINC000488514636 388183381 /nfs/dbraw/zinc/18/33/81/388183381.db2.gz JIDVCYTXJXJDSU-YPMHNXCESA-N 0 0 228.339 3.650 20 0 BHADRN CSc1cccc(N(C)C[C@H]2C[C@H]2C)c1 ZINC000488522082 388184282 /nfs/dbraw/zinc/18/42/82/388184282.db2.gz KDZYDEFBPKBDSA-GHMZBOCLSA-N 0 0 221.369 3.501 20 0 BHADRN CSc1cccc(N(C)C[C@@H]2C[C@H]2C)c1 ZINC000488522084 225409737 /nfs/dbraw/zinc/40/97/37/225409737.db2.gz KDZYDEFBPKBDSA-MNOVXSKESA-N 0 0 221.369 3.501 20 0 BHADRN CSc1cccc(N(C)C[C@@H]2C[C@@H]2C)c1 ZINC000488522086 388183814 /nfs/dbraw/zinc/18/38/14/388183814.db2.gz KDZYDEFBPKBDSA-QWRGUYRKSA-N 0 0 221.369 3.501 20 0 BHADRN CSc1cccc(N(C)C[C@H]2C[C@@H]2C)c1 ZINC000488522087 388184126 /nfs/dbraw/zinc/18/41/26/388184126.db2.gz KDZYDEFBPKBDSA-WDEREUQCSA-N 0 0 221.369 3.501 20 0 BHADRN CSc1ccc(N(C)C[C@H]2C[C@H]2C)cc1 ZINC000488528136 388184999 /nfs/dbraw/zinc/18/49/99/388184999.db2.gz HRAXNOXQLWOJPR-GHMZBOCLSA-N 0 0 221.369 3.501 20 0 BHADRN CSc1ccc(N(C)C[C@@H]2C[C@H]2C)cc1 ZINC000488528137 532973892 /nfs/dbraw/zinc/97/38/92/532973892.db2.gz HRAXNOXQLWOJPR-MNOVXSKESA-N 0 0 221.369 3.501 20 0 BHADRN CSc1ccc(N(C)C[C@@H]2C[C@@H]2C)cc1 ZINC000488528138 388185466 /nfs/dbraw/zinc/18/54/66/388185466.db2.gz HRAXNOXQLWOJPR-QWRGUYRKSA-N 0 0 221.369 3.501 20 0 BHADRN CSc1ccc(N(C)C[C@H]2C[C@@H]2C)cc1 ZINC000488528139 388184881 /nfs/dbraw/zinc/18/48/81/388184881.db2.gz HRAXNOXQLWOJPR-WDEREUQCSA-N 0 0 221.369 3.501 20 0 BHADRN CCc1c(NC[C@@H]2C[C@H]2C)cnn1C(CC)CC ZINC000488529501 388185387 /nfs/dbraw/zinc/18/53/87/388185387.db2.gz VMCHNKHILRBBOG-NEPJUHHUSA-N 0 0 249.402 3.875 20 0 BHADRN CCc1c(NC[C@H]2C[C@@H]2C)cnn1C(CC)CC ZINC000488529503 388185405 /nfs/dbraw/zinc/18/54/05/388185405.db2.gz VMCHNKHILRBBOG-NWDGAFQWSA-N 0 0 249.402 3.875 20 0 BHADRN CCc1c(NC[C@@H]2C[C@@H]2C)cnn1C(CC)CC ZINC000488529505 388185239 /nfs/dbraw/zinc/18/52/39/388185239.db2.gz VMCHNKHILRBBOG-RYUDHWBXSA-N 0 0 249.402 3.875 20 0 BHADRN CCc1c(NC[C@H]2C[C@H]2C)cnn1C(CC)CC ZINC000488529508 529498220 /nfs/dbraw/zinc/49/82/20/529498220.db2.gz VMCHNKHILRBBOG-VXGBXAGGSA-N 0 0 249.402 3.875 20 0 BHADRN CC(C)n1ncc2ccc(NC[C@@H]3C[C@@H]3C)cc21 ZINC000488537188 528669564 /nfs/dbraw/zinc/66/95/64/528669564.db2.gz YUBQUVLTYSGRII-AAEUAGOBSA-N 0 0 243.354 3.685 20 0 BHADRN CC(C)n1ncc2ccc(NC[C@H]3C[C@H]3C)cc21 ZINC000488537189 388185380 /nfs/dbraw/zinc/18/53/80/388185380.db2.gz YUBQUVLTYSGRII-DGCLKSJQSA-N 0 0 243.354 3.685 20 0 BHADRN CC(C)n1ncc2ccc(NC[C@H]3C[C@@H]3C)cc21 ZINC000488537190 388185489 /nfs/dbraw/zinc/18/54/89/388185489.db2.gz YUBQUVLTYSGRII-WCQYABFASA-N 0 0 243.354 3.685 20 0 BHADRN CC(C)n1ncc2ccc(NC[C@@H]3C[C@H]3C)cc21 ZINC000488537191 388184638 /nfs/dbraw/zinc/18/46/38/388184638.db2.gz YUBQUVLTYSGRII-YPMHNXCESA-N 0 0 243.354 3.685 20 0 BHADRN CCCCN(CC=C(C)C)CC(F)(F)F ZINC000488549058 528397360 /nfs/dbraw/zinc/39/73/60/528397360.db2.gz QIJTUHONGGSWLN-UHFFFAOYSA-N 0 0 223.282 3.617 20 0 BHADRN Cc1ccc2cccc(NC[C@@H]3C[C@@H]3C)c2n1 ZINC000488552655 388187493 /nfs/dbraw/zinc/18/74/93/388187493.db2.gz CMNDOHPSYSWJLY-GWCFXTLKSA-N 0 0 226.323 3.611 20 0 BHADRN Cc1ccc2cccc(NC[C@H]3C[C@@H]3C)c2n1 ZINC000488552659 388187302 /nfs/dbraw/zinc/18/73/02/388187302.db2.gz CMNDOHPSYSWJLY-GXFFZTMASA-N 0 0 226.323 3.611 20 0 BHADRN Cc1ccc2cccc(NC[C@@H]3C[C@H]3C)c2n1 ZINC000488552663 385826814 /nfs/dbraw/zinc/82/68/14/385826814.db2.gz CMNDOHPSYSWJLY-MFKMUULPSA-N 0 0 226.323 3.611 20 0 BHADRN Cc1ccc2cccc(NC[C@H]3C[C@H]3C)c2n1 ZINC000488552667 385826400 /nfs/dbraw/zinc/82/64/00/385826400.db2.gz CMNDOHPSYSWJLY-ZWNOBZJWSA-N 0 0 226.323 3.611 20 0 BHADRN CC(C)Oc1cc(F)ccc1NC[C@H]1C[C@H]1C ZINC000488554950 388187306 /nfs/dbraw/zinc/18/73/06/388187306.db2.gz GTGMZVXUFWSKLB-GHMZBOCLSA-N 0 0 237.318 3.681 20 0 BHADRN CC(C)Oc1cc(F)ccc1NC[C@@H]1C[C@H]1C ZINC000488554951 528115265 /nfs/dbraw/zinc/11/52/65/528115265.db2.gz GTGMZVXUFWSKLB-MNOVXSKESA-N 0 0 237.318 3.681 20 0 BHADRN CC(C)Oc1cc(F)ccc1NC[C@@H]1C[C@@H]1C ZINC000488554952 388187212 /nfs/dbraw/zinc/18/72/12/388187212.db2.gz GTGMZVXUFWSKLB-QWRGUYRKSA-N 0 0 237.318 3.681 20 0 BHADRN CC(C)Oc1cc(F)ccc1NC[C@H]1C[C@@H]1C ZINC000488554953 388186897 /nfs/dbraw/zinc/18/68/97/388186897.db2.gz GTGMZVXUFWSKLB-WDEREUQCSA-N 0 0 237.318 3.681 20 0 BHADRN Cc1ccc(NC[C@@H]2C[C@H]2C)c2cccnc12 ZINC000488557516 388187527 /nfs/dbraw/zinc/18/75/27/388187527.db2.gz KZKYHYHIOJSBLE-NEPJUHHUSA-N 0 0 226.323 3.611 20 0 BHADRN Cc1ccc(NC[C@H]2C[C@@H]2C)c2cccnc12 ZINC000488557518 388187480 /nfs/dbraw/zinc/18/74/80/388187480.db2.gz KZKYHYHIOJSBLE-NWDGAFQWSA-N 0 0 226.323 3.611 20 0 BHADRN Cc1ccc(NC[C@@H]2C[C@@H]2C)c2cccnc12 ZINC000488557519 388186859 /nfs/dbraw/zinc/18/68/59/388186859.db2.gz KZKYHYHIOJSBLE-RYUDHWBXSA-N 0 0 226.323 3.611 20 0 BHADRN Cc1ccc(NC[C@H]2C[C@H]2C)c2cccnc12 ZINC000488557521 388187143 /nfs/dbraw/zinc/18/71/43/388187143.db2.gz KZKYHYHIOJSBLE-VXGBXAGGSA-N 0 0 226.323 3.611 20 0 BHADRN Cc1nn(-c2ccccc2)cc1NCCC(C)C ZINC000488559316 711428356 /nfs/dbraw/zinc/42/83/56/711428356.db2.gz MWMNSTAASFJHQT-UHFFFAOYSA-N 0 0 243.354 3.639 20 0 BHADRN C[C@@H](SCC(C)(C)O)c1ccccc1Cl ZINC000488593437 388189650 /nfs/dbraw/zinc/18/96/50/388189650.db2.gz MONAHYGPTYDYRQ-SECBINFHSA-N 0 0 244.787 3.905 20 0 BHADRN C[C@H](SCC(C)(C)O)c1ccccc1Cl ZINC000488593438 225422254 /nfs/dbraw/zinc/42/22/54/225422254.db2.gz MONAHYGPTYDYRQ-VIFPVBQESA-N 0 0 244.787 3.905 20 0 BHADRN CCCCN(CCC(C)C)CC(F)(F)F ZINC000488593471 388190003 /nfs/dbraw/zinc/19/00/03/388190003.db2.gz IXFRTUJJVSPLGO-UHFFFAOYSA-N 0 0 225.298 3.697 20 0 BHADRN CCCCN(C(=O)C[C@@H]1C=CCCC1)C1CC1 ZINC000488597910 388190229 /nfs/dbraw/zinc/19/02/29/388190229.db2.gz GKLDWXHIIOFNMV-CYBMUJFWSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCN(C(=O)C[C@H]1C=CCCC1)C1CC1 ZINC000488597911 388190155 /nfs/dbraw/zinc/19/01/55/388190155.db2.gz GKLDWXHIIOFNMV-ZDUSSCGKSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCN(CC(F)(F)F)[C@@H]1C=CCCC1 ZINC000488620738 528377117 /nfs/dbraw/zinc/37/71/17/528377117.db2.gz ASVKRSRGPSCZDM-LLVKDONJSA-N 0 0 235.293 3.760 20 0 BHADRN CCCCN(CC(F)(F)F)[C@H]1C=CCCC1 ZINC000488620739 388191283 /nfs/dbraw/zinc/19/12/83/388191283.db2.gz ASVKRSRGPSCZDM-NSHDSACASA-N 0 0 235.293 3.760 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC000488626604 388190721 /nfs/dbraw/zinc/19/07/21/388190721.db2.gz KWZOHLGRESXLKW-KFWWJZLASA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC000488626606 388190671 /nfs/dbraw/zinc/19/06/71/388190671.db2.gz KWZOHLGRESXLKW-RBSFLKMASA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC000488626608 388190724 /nfs/dbraw/zinc/19/07/24/388190724.db2.gz KWZOHLGRESXLKW-RRFJBIMHSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C=CCCC1 ZINC000488626610 388191134 /nfs/dbraw/zinc/19/11/34/388191134.db2.gz KWZOHLGRESXLKW-ZNMIVQPWSA-N 0 0 249.398 3.818 20 0 BHADRN O=C(C[C@H]1C=CCCC1)NCCC1CCCCC1 ZINC000488627062 388191178 /nfs/dbraw/zinc/19/11/78/388191178.db2.gz JAOCTUBRMFLRGV-HNNXBMFYSA-N 0 0 249.398 3.819 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)NCCC1CCCCC1 ZINC000488627063 534683621 /nfs/dbraw/zinc/68/36/21/534683621.db2.gz JAOCTUBRMFLRGV-OAHLLOKOSA-N 0 0 249.398 3.819 20 0 BHADRN CCC[C@@H](C(=O)NC(C)(C)CCC)C(C)C ZINC000488643119 388191226 /nfs/dbraw/zinc/19/12/26/388191226.db2.gz IKYHIZZNGVVVEL-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C(=O)NC(C)(C)CCC)C(C)C ZINC000488643121 388191220 /nfs/dbraw/zinc/19/12/20/388191220.db2.gz IKYHIZZNGVVVEL-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@@H](C(=O)NC(C)(CC)CC)C(C)C ZINC000488647474 388191126 /nfs/dbraw/zinc/19/11/26/388191126.db2.gz SEUHXJJEJLDRAO-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C(=O)NC(C)(CC)CC)C(C)C ZINC000488647475 527976379 /nfs/dbraw/zinc/97/63/79/527976379.db2.gz SEUHXJJEJLDRAO-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN O=C(Nc1ccc(C2CCC2)cc1)C1=CCC1 ZINC000488649046 388191200 /nfs/dbraw/zinc/19/12/00/388191200.db2.gz SDONIEODZHDIPV-UHFFFAOYSA-N 0 0 227.307 3.613 20 0 BHADRN CCCN(CC(C)C)C(=O)C[C@H]1C=CCCC1 ZINC000488662296 527922058 /nfs/dbraw/zinc/92/20/58/527922058.db2.gz AZOXXSQVOUAUKT-AWEZNQCLSA-N 0 0 237.387 3.627 20 0 BHADRN CCCN(CC(C)C)C(=O)C[C@@H]1C=CCCC1 ZINC000488662297 527921070 /nfs/dbraw/zinc/92/10/70/527921070.db2.gz AZOXXSQVOUAUKT-CQSZACIVSA-N 0 0 237.387 3.627 20 0 BHADRN CCC[C@H](C(=O)N(CC)[C@@H](C)C(C)C)C(C)C ZINC000488673153 527969114 /nfs/dbraw/zinc/96/91/14/527969114.db2.gz XRXJCTQTKQRVPC-KBPBESRZSA-N 0 0 241.419 3.952 20 0 BHADRN CCC[C@H](C(=O)N(CC)[C@H](C)C(C)C)C(C)C ZINC000488673154 388190629 /nfs/dbraw/zinc/19/06/29/388190629.db2.gz XRXJCTQTKQRVPC-KGLIPLIRSA-N 0 0 241.419 3.952 20 0 BHADRN CCC[C@@H](C(=O)N(CC)[C@@H](C)C(C)C)C(C)C ZINC000488673155 388190823 /nfs/dbraw/zinc/19/08/23/388190823.db2.gz XRXJCTQTKQRVPC-UONOGXRCSA-N 0 0 241.419 3.952 20 0 BHADRN CCC[C@@H](C(=O)N(CC)[C@H](C)C(C)C)C(C)C ZINC000488673157 388190698 /nfs/dbraw/zinc/19/06/98/388190698.db2.gz XRXJCTQTKQRVPC-ZIAGYGMSSA-N 0 0 241.419 3.952 20 0 BHADRN C[C@@H]1CCC[C@H](CNC(=O)C[C@H]2C=CCCC2)C1 ZINC000488687834 533845005 /nfs/dbraw/zinc/84/50/05/533845005.db2.gz GNKYRGPCVILKQE-ILXRZTDVSA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCC[C@H](CNC(=O)C[C@@H]2C=CCCC2)C1 ZINC000488687835 388191881 /nfs/dbraw/zinc/19/18/81/388191881.db2.gz GNKYRGPCVILKQE-KFWWJZLASA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCC[C@@H](CNC(=O)C[C@H]2C=CCCC2)C1 ZINC000488687836 533751186 /nfs/dbraw/zinc/75/11/86/533751186.db2.gz GNKYRGPCVILKQE-QLFBSQMISA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCC[C@@H](CNC(=O)C[C@@H]2C=CCCC2)C1 ZINC000488687837 388191834 /nfs/dbraw/zinc/19/18/34/388191834.db2.gz GNKYRGPCVILKQE-RBSFLKMASA-N 0 0 249.398 3.675 20 0 BHADRN CC1CCC(CNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC000488688570 388192108 /nfs/dbraw/zinc/19/21/08/388192108.db2.gz IMYPUPVMUYJOET-SHARSMKWSA-N 0 0 249.398 3.675 20 0 BHADRN CC1CCC(CNC(=O)C[C@H]2C=CCCC2)CC1 ZINC000488688571 388192053 /nfs/dbraw/zinc/19/20/53/388192053.db2.gz IMYPUPVMUYJOET-SLTAFYQDSA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCCC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC000488694893 533595785 /nfs/dbraw/zinc/59/57/85/533595785.db2.gz GUEBDSKQGOXFOI-ILXRZTDVSA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC000488694895 388191745 /nfs/dbraw/zinc/19/17/45/388191745.db2.gz GUEBDSKQGOXFOI-KFWWJZLASA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC000488694897 388192100 /nfs/dbraw/zinc/19/21/00/388192100.db2.gz GUEBDSKQGOXFOI-QLFBSQMISA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC000488694899 388191911 /nfs/dbraw/zinc/19/19/11/388191911.db2.gz GUEBDSKQGOXFOI-RBSFLKMASA-N 0 0 249.398 3.675 20 0 BHADRN CC1CCC(C)(NC(=O)C[C@H]2C=CCCC2)CC1 ZINC000488699339 388191508 /nfs/dbraw/zinc/19/15/08/388191508.db2.gz GZSTUYGWGIIQHV-BBBYJDLNSA-N 0 0 249.398 3.818 20 0 BHADRN CC1CCC(C)(NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC000488699340 388191550 /nfs/dbraw/zinc/19/15/50/388191550.db2.gz GZSTUYGWGIIQHV-NPCAHTBFSA-N 0 0 249.398 3.818 20 0 BHADRN Cc1ccoc1CNc1ccnc2ccsc21 ZINC000488705077 388191937 /nfs/dbraw/zinc/19/19/37/388191937.db2.gz OHZHFBFKRGUEJV-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN CCCC[C@@H](CCC)S[C@H](C)C(=O)OC ZINC000488733796 388192492 /nfs/dbraw/zinc/19/24/92/388192492.db2.gz MCSNTNJRLDFPOV-GHMZBOCLSA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@H](CCC)S[C@H](C)C(=O)OC ZINC000488733946 528927380 /nfs/dbraw/zinc/92/73/80/528927380.db2.gz MCSNTNJRLDFPOV-MNOVXSKESA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@H](CCC)S[C@@H](C)C(=O)OC ZINC000488733947 517571560 /nfs/dbraw/zinc/57/15/60/517571560.db2.gz MCSNTNJRLDFPOV-QWRGUYRKSA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@@H](CCC)S[C@@H](C)C(=O)OC ZINC000488733949 388192809 /nfs/dbraw/zinc/19/28/09/388192809.db2.gz MCSNTNJRLDFPOV-WDEREUQCSA-N 0 0 232.389 3.640 20 0 BHADRN CSCc1ccc(OC(C)C)c(Cl)c1 ZINC000488755163 388194007 /nfs/dbraw/zinc/19/40/07/388194007.db2.gz WXYVJIBGANONFB-UHFFFAOYSA-N 0 0 230.760 3.990 20 0 BHADRN Cc1ccc2c(c1)[C@H](Nc1ccccn1)CCC2 ZINC000488785329 388194995 /nfs/dbraw/zinc/19/49/95/388194995.db2.gz OIYMDJYRQKYATR-OAHLLOKOSA-N 0 0 238.334 3.880 20 0 BHADRN COc1ccccc1[C@H](C)SCCCF ZINC000488814513 533010057 /nfs/dbraw/zinc/01/00/57/533010057.db2.gz JLGUGMALUUBTIY-JTQLQIEISA-N 0 0 228.332 3.849 20 0 BHADRN COc1ccccc1[C@@H](C)SCCCF ZINC000488814515 388196065 /nfs/dbraw/zinc/19/60/65/388196065.db2.gz JLGUGMALUUBTIY-SNVBAGLBSA-N 0 0 228.332 3.849 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@@H](C)C1 ZINC000488817385 388195834 /nfs/dbraw/zinc/19/58/34/388195834.db2.gz OJYNBJCRUTVTFZ-BARDWOONSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H](C)C1 ZINC000488817386 388196156 /nfs/dbraw/zinc/19/61/56/388196156.db2.gz OJYNBJCRUTVTFZ-KBXIAJHMSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@@H](C)C1 ZINC000488817387 388195793 /nfs/dbraw/zinc/19/57/93/388195793.db2.gz OJYNBJCRUTVTFZ-QPSCCSFWSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H](C)C1 ZINC000488817388 534250483 /nfs/dbraw/zinc/25/04/83/534250483.db2.gz OJYNBJCRUTVTFZ-TUVASFSCSA-N 0 0 249.398 3.674 20 0 BHADRN CCCC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000488836750 388196783 /nfs/dbraw/zinc/19/67/83/388196783.db2.gz BCIUSZYEDURTGN-HNNXBMFYSA-N 0 0 247.382 3.999 20 0 BHADRN CCCC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C ZINC000488836752 527948446 /nfs/dbraw/zinc/94/84/46/527948446.db2.gz BCIUSZYEDURTGN-OAHLLOKOSA-N 0 0 247.382 3.999 20 0 BHADRN C[C@H]1CCCCCN1C(=O)C[C@H]1C=CCCC1 ZINC000488850195 388197852 /nfs/dbraw/zinc/19/78/52/388197852.db2.gz DBKIOCIGMPFAOY-KBPBESRZSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CCCCCN1C(=O)C[C@H]1C=CCCC1 ZINC000488850196 388197436 /nfs/dbraw/zinc/19/74/36/388197436.db2.gz DBKIOCIGMPFAOY-KGLIPLIRSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@H]1CCCCCN1C(=O)C[C@@H]1C=CCCC1 ZINC000488850197 225433953 /nfs/dbraw/zinc/43/39/53/225433953.db2.gz DBKIOCIGMPFAOY-UONOGXRCSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CCCCCN1C(=O)C[C@@H]1C=CCCC1 ZINC000488850198 225431970 /nfs/dbraw/zinc/43/19/70/225431970.db2.gz DBKIOCIGMPFAOY-ZIAGYGMSSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488949570 388199557 /nfs/dbraw/zinc/19/95/57/388199557.db2.gz STLXJIFLRUUBGE-GHMZBOCLSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488949574 388199609 /nfs/dbraw/zinc/19/96/09/388199609.db2.gz STLXJIFLRUUBGE-MNOVXSKESA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488949578 528029402 /nfs/dbraw/zinc/02/94/02/528029402.db2.gz STLXJIFLRUUBGE-QWRGUYRKSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488949579 388199702 /nfs/dbraw/zinc/19/97/02/388199702.db2.gz STLXJIFLRUUBGE-WDEREUQCSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)(c1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000488953605 388199922 /nfs/dbraw/zinc/19/99/22/388199922.db2.gz JMQPQTARIDLDQY-UHFFFAOYSA-N 0 0 246.285 3.563 20 0 BHADRN CC(C)(C)CCC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488953770 388200308 /nfs/dbraw/zinc/20/03/08/388200308.db2.gz YIHRXNKVGWEJPQ-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)(C)CCC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488953772 388200312 /nfs/dbraw/zinc/20/03/12/388200312.db2.gz YIHRXNKVGWEJPQ-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488954729 388199683 /nfs/dbraw/zinc/19/96/83/388199683.db2.gz NUECPDXGFIPNJU-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488954730 388199772 /nfs/dbraw/zinc/19/97/72/388199772.db2.gz NUECPDXGFIPNJU-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCC(CC)CC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488964501 388200061 /nfs/dbraw/zinc/20/00/61/388200061.db2.gz ZZKBYSHGCYDHBM-LLVKDONJSA-N 0 0 247.329 3.507 20 0 BHADRN CCC(CC)CC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488964502 388199915 /nfs/dbraw/zinc/19/99/15/388199915.db2.gz ZZKBYSHGCYDHBM-NSHDSACASA-N 0 0 247.329 3.507 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C[C@@H]1C=CCCC1 ZINC000488972757 529675983 /nfs/dbraw/zinc/67/59/83/529675983.db2.gz DZQPAHZPEPOPFG-BFHYXJOUSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C[C@H]1C=CCCC1 ZINC000488972758 388199764 /nfs/dbraw/zinc/19/97/64/388199764.db2.gz DZQPAHZPEPOPFG-IHRRRGAJSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C[C@@H]1C=CCCC1 ZINC000488972761 529680616 /nfs/dbraw/zinc/68/06/16/529680616.db2.gz DZQPAHZPEPOPFG-MELADBBJSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C[C@H]1C=CCCC1 ZINC000488972763 388200265 /nfs/dbraw/zinc/20/02/65/388200265.db2.gz DZQPAHZPEPOPFG-MJBXVCDLSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@H]1C[C@H](NC(=O)C[C@@H]2C=CCCC2)C[C@@H](C)C1 ZINC000488974327 388199827 /nfs/dbraw/zinc/19/98/27/388199827.db2.gz GFYANEZPMVMDCB-BARDWOONSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H]1C[C@H](NC(=O)C[C@H]2C=CCCC2)C[C@@H](C)C1 ZINC000488974328 388199780 /nfs/dbraw/zinc/19/97/80/388199780.db2.gz GFYANEZPMVMDCB-LJISPDSOSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H]1CC(NC(=O)C[C@H]2C=CCCC2)C[C@H](C)C1 ZINC000488974329 225439169 /nfs/dbraw/zinc/43/91/69/225439169.db2.gz GFYANEZPMVMDCB-MCIONIFRSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H]1CC(NC(=O)C[C@@H]2C=CCCC2)C[C@H](C)C1 ZINC000488974330 225439154 /nfs/dbraw/zinc/43/91/54/225439154.db2.gz GFYANEZPMVMDCB-MGPQQGTHSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H](NC(=O)C[C@H]1C=CCCC1)C1CCCCC1 ZINC000489011842 388202390 /nfs/dbraw/zinc/20/23/90/388202390.db2.gz LUJCBGJPCVXRDH-KBPBESRZSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H](NC(=O)C[C@H]1C=CCCC1)C1CCCCC1 ZINC000489011844 388201519 /nfs/dbraw/zinc/20/15/19/388201519.db2.gz LUJCBGJPCVXRDH-KGLIPLIRSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](NC(=O)C[C@@H]1C=CCCC1)C1CCCCC1 ZINC000489011845 388202171 /nfs/dbraw/zinc/20/21/71/388202171.db2.gz LUJCBGJPCVXRDH-UONOGXRCSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H](NC(=O)C[C@@H]1C=CCCC1)C1CCCCC1 ZINC000489011846 225440451 /nfs/dbraw/zinc/44/04/51/225440451.db2.gz LUJCBGJPCVXRDH-ZIAGYGMSSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC000489021299 388202294 /nfs/dbraw/zinc/20/22/94/388202294.db2.gz ZEVGKHZLKDBGRR-ILXRZTDVSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC000489021300 388201575 /nfs/dbraw/zinc/20/15/75/388201575.db2.gz ZEVGKHZLKDBGRR-KFWWJZLASA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC000489021301 529303898 /nfs/dbraw/zinc/30/38/98/529303898.db2.gz ZEVGKHZLKDBGRR-QLFBSQMISA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC000489021302 388201716 /nfs/dbraw/zinc/20/17/16/388201716.db2.gz ZEVGKHZLKDBGRR-RBSFLKMASA-N 0 0 249.398 3.818 20 0 BHADRN CC1(C)CCC(NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC000489029124 388201618 /nfs/dbraw/zinc/20/16/18/388201618.db2.gz SPMVJIHNRXLIQL-CYBMUJFWSA-N 0 0 249.398 3.818 20 0 BHADRN CC1(C)CCC(NC(=O)C[C@H]2C=CCCC2)CC1 ZINC000489029125 388201738 /nfs/dbraw/zinc/20/17/38/388201738.db2.gz SPMVJIHNRXLIQL-ZDUSSCGKSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@H]1CCN1c1nc2cccc(C)c2s1 ZINC000489033826 388201742 /nfs/dbraw/zinc/20/17/42/388201742.db2.gz AMYZMMPLJUGDFH-JTQLQIEISA-N 0 0 232.352 3.593 20 0 BHADRN CC[C@@H]1CCN1c1nc2cccc(C)c2s1 ZINC000489033828 388202168 /nfs/dbraw/zinc/20/21/68/388202168.db2.gz AMYZMMPLJUGDFH-SNVBAGLBSA-N 0 0 232.352 3.593 20 0 BHADRN CC(C)CN(C)c1cccc(OC(F)(F)F)c1 ZINC000489070101 527922005 /nfs/dbraw/zinc/92/20/05/527922005.db2.gz ZIGOHKWPHSTTHZ-UHFFFAOYSA-N 0 0 247.260 3.677 20 0 BHADRN CC[C@@H]1CCN1c1cc(C(C)C)nc(C(C)C)n1 ZINC000489070263 388203509 /nfs/dbraw/zinc/20/35/09/388203509.db2.gz JIMCBVATOXTNQG-GFCCVEGCSA-N 0 0 247.386 3.712 20 0 BHADRN CC[C@H]1CCN1c1cc(C(C)C)nc(C(C)C)n1 ZINC000489070265 388203342 /nfs/dbraw/zinc/20/33/42/388203342.db2.gz JIMCBVATOXTNQG-LBPRGKRZSA-N 0 0 247.386 3.712 20 0 BHADRN CC(C)CN(C)[C@H](c1ccccc1)C(F)(F)F ZINC000489146007 388204410 /nfs/dbraw/zinc/20/44/10/388204410.db2.gz DXCIJFIKJWXBBO-GFCCVEGCSA-N 0 0 245.288 3.878 20 0 BHADRN CC(C)CN(C)[C@@H](c1ccccc1)C(F)(F)F ZINC000489146015 388204352 /nfs/dbraw/zinc/20/43/52/388204352.db2.gz DXCIJFIKJWXBBO-LBPRGKRZSA-N 0 0 245.288 3.878 20 0 BHADRN Cc1cc(C)cc(N(C)Cc2ccco2)c1 ZINC000489261714 388207147 /nfs/dbraw/zinc/20/71/47/388207147.db2.gz YHOUUPBNQOBIRK-UHFFFAOYSA-N 0 0 215.296 3.533 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)c1c[nH]cc1C ZINC000489265491 528260272 /nfs/dbraw/zinc/26/02/72/528260272.db2.gz CXTIMJFEMZMSPY-CYBMUJFWSA-N 0 0 248.370 3.508 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)c1c[nH]cc1C ZINC000489265492 388206789 /nfs/dbraw/zinc/20/67/89/388206789.db2.gz CXTIMJFEMZMSPY-ZDUSSCGKSA-N 0 0 248.370 3.508 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)CC(C)C ZINC000489289251 388207055 /nfs/dbraw/zinc/20/70/55/388207055.db2.gz FMRWFPKLJKQAQG-CYBMUJFWSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)CC(C)C ZINC000489289252 388206551 /nfs/dbraw/zinc/20/65/51/388206551.db2.gz FMRWFPKLJKQAQG-ZDUSSCGKSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@H](C)CC ZINC000489295307 388207627 /nfs/dbraw/zinc/20/76/27/388207627.db2.gz MSRZRLYLJIHHFQ-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@H](C)CC ZINC000489295310 528273564 /nfs/dbraw/zinc/27/35/64/528273564.db2.gz MSRZRLYLJIHHFQ-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@@H](C)CC ZINC000489295312 388207518 /nfs/dbraw/zinc/20/75/18/388207518.db2.gz MSRZRLYLJIHHFQ-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@@H](C)CC ZINC000489295315 388207385 /nfs/dbraw/zinc/20/73/85/388207385.db2.gz MSRZRLYLJIHHFQ-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@@H](C)C(C)C ZINC000489297461 388207468 /nfs/dbraw/zinc/20/74/68/388207468.db2.gz QHZUSDBKTLNJKV-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@H](C)C(C)C ZINC000489297463 388207787 /nfs/dbraw/zinc/20/77/87/388207787.db2.gz QHZUSDBKTLNJKV-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@@H](C)C(C)C ZINC000489297465 388207380 /nfs/dbraw/zinc/20/73/80/388207380.db2.gz QHZUSDBKTLNJKV-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@H](C)C(C)C ZINC000489297466 388207789 /nfs/dbraw/zinc/20/77/89/388207789.db2.gz QHZUSDBKTLNJKV-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)CCCC ZINC000489300099 528258916 /nfs/dbraw/zinc/25/89/16/528258916.db2.gz PBWXPYUTBFWSIH-CYBMUJFWSA-N 0 0 225.376 3.748 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)CCCC ZINC000489300101 388207889 /nfs/dbraw/zinc/20/78/89/388207889.db2.gz PBWXPYUTBFWSIH-ZDUSSCGKSA-N 0 0 225.376 3.748 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)c1ccccc1 ZINC000489300485 388207773 /nfs/dbraw/zinc/20/77/73/388207773.db2.gz BQCFDHSZHVWXCV-HNNXBMFYSA-N 0 0 245.366 3.872 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000489300487 528260786 /nfs/dbraw/zinc/26/07/86/528260786.db2.gz BQCFDHSZHVWXCV-OAHLLOKOSA-N 0 0 245.366 3.872 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)CCC1CC1 ZINC000489301320 388207388 /nfs/dbraw/zinc/20/73/88/388207388.db2.gz WAZPKDBWWWQDEY-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)CCC1CC1 ZINC000489301321 388207555 /nfs/dbraw/zinc/20/75/55/388207555.db2.gz WAZPKDBWWWQDEY-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)CCC(C)C ZINC000489302151 528272277 /nfs/dbraw/zinc/27/22/77/528272277.db2.gz SZTOXBRQPWAHPF-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)CCC(C)C ZINC000489302153 388207520 /nfs/dbraw/zinc/20/75/20/388207520.db2.gz SZTOXBRQPWAHPF-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)c1ccoc1C ZINC000489311300 528260680 /nfs/dbraw/zinc/26/06/80/528260680.db2.gz IRIJXDBUMGUSSC-CYBMUJFWSA-N 0 0 249.354 3.773 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)c1ccoc1C ZINC000489311303 388207704 /nfs/dbraw/zinc/20/77/04/388207704.db2.gz IRIJXDBUMGUSSC-ZDUSSCGKSA-N 0 0 249.354 3.773 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000489311519 528272184 /nfs/dbraw/zinc/27/21/84/528272184.db2.gz DIJSGQHROWORJR-CABCVRRESA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000489311522 388207662 /nfs/dbraw/zinc/20/76/62/388207662.db2.gz DIJSGQHROWORJR-GJZGRUSLSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000489311523 388207692 /nfs/dbraw/zinc/20/76/92/388207692.db2.gz DIJSGQHROWORJR-HUUCEWRRSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000489311526 388207785 /nfs/dbraw/zinc/20/77/85/388207785.db2.gz DIJSGQHROWORJR-LSDHHAIUSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)CC1CCC1 ZINC000489317072 388207552 /nfs/dbraw/zinc/20/75/52/388207552.db2.gz NGRPMAPWOLMGFS-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)CC1CCC1 ZINC000489317073 388207439 /nfs/dbraw/zinc/20/74/39/388207439.db2.gz NGRPMAPWOLMGFS-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@@H](C)C1CC1 ZINC000489331052 388208074 /nfs/dbraw/zinc/20/80/74/388208074.db2.gz NTNPFMDBMCYSSM-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@@H](C)C1CC1 ZINC000489331053 388208455 /nfs/dbraw/zinc/20/84/55/388208455.db2.gz NTNPFMDBMCYSSM-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@H](C)C1CC1 ZINC000489331054 388208125 /nfs/dbraw/zinc/20/81/25/388208125.db2.gz NTNPFMDBMCYSSM-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@H](C)C1CC1 ZINC000489331055 388208467 /nfs/dbraw/zinc/20/84/67/388208467.db2.gz NTNPFMDBMCYSSM-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC(=O)N1CCC[C@H]1CCC(C)C ZINC000489339361 388208367 /nfs/dbraw/zinc/20/83/67/388208367.db2.gz YEPNNTYEXWTJJT-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N1CCC[C@@H]1CCC(C)C ZINC000489339362 528103739 /nfs/dbraw/zinc/10/37/39/528103739.db2.gz YEPNNTYEXWTJJT-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN CN(C(=O)C1(C)CCCCCC1)[C@@H]1CC1(C)C ZINC000489343616 388207636 /nfs/dbraw/zinc/20/76/36/388207636.db2.gz UIMXLOVAUFTBEU-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)C1(C)CCCCCC1)[C@H]1CC1(C)C ZINC000489343617 388207630 /nfs/dbraw/zinc/20/76/30/388207630.db2.gz UIMXLOVAUFTBEU-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)CCCC1CCCC1)[C@@H]1CC1(C)C ZINC000489346130 388209406 /nfs/dbraw/zinc/20/94/06/388209406.db2.gz BOFQWUYNABAXAK-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)CCCC1CCCC1)[C@H]1CC1(C)C ZINC000489346131 225456473 /nfs/dbraw/zinc/45/64/73/225456473.db2.gz BOFQWUYNABAXAK-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)CC1(C)CCCCC1)[C@@H]1CC1(C)C ZINC000489347146 225457085 /nfs/dbraw/zinc/45/70/85/225457085.db2.gz GBOFEVVKPGOVAL-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)CC1(C)CCCCC1)[C@H]1CC1(C)C ZINC000489347147 225457281 /nfs/dbraw/zinc/45/72/81/225457281.db2.gz GBOFEVVKPGOVAL-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000489348270 388209276 /nfs/dbraw/zinc/20/92/76/388209276.db2.gz MAFGJJQWDOANNR-BYNSBNAKSA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000489348272 219854756 /nfs/dbraw/zinc/85/47/56/219854756.db2.gz MAFGJJQWDOANNR-KBXIAJHMSA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)c1ccc(C)o1 ZINC000489352106 528259801 /nfs/dbraw/zinc/25/98/01/528259801.db2.gz KZWBMVFRNRRLQS-CYBMUJFWSA-N 0 0 249.354 3.773 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)c1ccc(C)o1 ZINC000489352107 528273711 /nfs/dbraw/zinc/27/37/11/528273711.db2.gz KZWBMVFRNRRLQS-ZDUSSCGKSA-N 0 0 249.354 3.773 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)C1CCCC1 ZINC000489352186 388209087 /nfs/dbraw/zinc/20/90/87/388209087.db2.gz BKIOTDRIDXAIDL-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000489352187 388209179 /nfs/dbraw/zinc/20/91/79/388209179.db2.gz BKIOTDRIDXAIDL-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCCC(=O)N1CCC[C@H]1[C@@H](C)CCC ZINC000489354212 528102861 /nfs/dbraw/zinc/10/28/61/528102861.db2.gz DAEJHBNGFPZWRX-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N1CCC[C@H]1[C@H](C)CCC ZINC000489354214 388209249 /nfs/dbraw/zinc/20/92/49/388209249.db2.gz DAEJHBNGFPZWRX-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N1CCC[C@@H]1[C@@H](C)CCC ZINC000489354216 388209069 /nfs/dbraw/zinc/20/90/69/388209069.db2.gz DAEJHBNGFPZWRX-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N1CCC[C@@H]1[C@H](C)CCC ZINC000489354217 528103215 /nfs/dbraw/zinc/10/32/15/528103215.db2.gz DAEJHBNGFPZWRX-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N(C)[C@H]1CC1(C)C ZINC000489354638 388209147 /nfs/dbraw/zinc/20/91/47/388209147.db2.gz NIZOBRJJJQJBOB-NEPJUHHUSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N(C)[C@@H]1CC1(C)C ZINC000489354640 388209208 /nfs/dbraw/zinc/20/92/08/388209208.db2.gz NIZOBRJJJQJBOB-NWDGAFQWSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N(C)[C@H]1CC1(C)C ZINC000489354641 388209329 /nfs/dbraw/zinc/20/93/29/388209329.db2.gz NIZOBRJJJQJBOB-RYUDHWBXSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N(C)[C@@H]1CC1(C)C ZINC000489354643 533798297 /nfs/dbraw/zinc/79/82/97/533798297.db2.gz NIZOBRJJJQJBOB-VXGBXAGGSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)c1cc[nH]c1C ZINC000489358101 528260323 /nfs/dbraw/zinc/26/03/23/528260323.db2.gz WBTLJTMJBWYXDF-CYBMUJFWSA-N 0 0 248.370 3.508 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)c1cc[nH]c1C ZINC000489358105 528273385 /nfs/dbraw/zinc/27/33/85/528273385.db2.gz WBTLJTMJBWYXDF-ZDUSSCGKSA-N 0 0 248.370 3.508 20 0 BHADRN CC(C)c1ccc(C(=O)N(C)[C@H]2CC2(C)C)cc1 ZINC000489358688 388208948 /nfs/dbraw/zinc/20/89/48/388208948.db2.gz WJAMEBHNDNJRJY-AWEZNQCLSA-N 0 0 245.366 3.681 20 0 BHADRN CC(C)c1ccc(C(=O)N(C)[C@@H]2CC2(C)C)cc1 ZINC000489358690 528058630 /nfs/dbraw/zinc/05/86/30/528058630.db2.gz WJAMEBHNDNJRJY-CQSZACIVSA-N 0 0 245.366 3.681 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@@H](C)CCC ZINC000489359466 388209203 /nfs/dbraw/zinc/20/92/03/388209203.db2.gz HRRMDMMKXFJDLT-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@H](C)CCC ZINC000489359467 388209221 /nfs/dbraw/zinc/20/92/21/388209221.db2.gz HRRMDMMKXFJDLT-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@@H](C)CCC ZINC000489359468 388209152 /nfs/dbraw/zinc/20/91/52/388209152.db2.gz HRRMDMMKXFJDLT-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@H](C)CCC ZINC000489359469 388209018 /nfs/dbraw/zinc/20/90/18/388209018.db2.gz HRRMDMMKXFJDLT-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000489362450 388208998 /nfs/dbraw/zinc/20/89/98/388208998.db2.gz LBFDKZNUCBDHLK-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000489362451 388208890 /nfs/dbraw/zinc/20/88/90/388208890.db2.gz LBFDKZNUCBDHLK-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C1CC1 ZINC000489363275 388209356 /nfs/dbraw/zinc/20/93/56/388209356.db2.gz VISSBPJXJCVFAP-ILXRZTDVSA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000489363278 388209158 /nfs/dbraw/zinc/20/91/58/388209158.db2.gz VISSBPJXJCVFAP-QLFBSQMISA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000489363280 388209432 /nfs/dbraw/zinc/20/94/32/388209432.db2.gz VISSBPJXJCVFAP-RBSFLKMASA-N 0 0 249.398 3.604 20 0 BHADRN CCCc1ccc(C(=O)N(C)[C@H]2CC2(C)C)cc1 ZINC000489367529 388210113 /nfs/dbraw/zinc/21/01/13/388210113.db2.gz UHYLPLXYJXCNLM-AWEZNQCLSA-N 0 0 245.366 3.510 20 0 BHADRN CCCc1ccc(C(=O)N(C)[C@@H]2CC2(C)C)cc1 ZINC000489367531 528615457 /nfs/dbraw/zinc/61/54/57/528615457.db2.gz UHYLPLXYJXCNLM-CQSZACIVSA-N 0 0 245.366 3.510 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)c1occc1C ZINC000489369390 388210146 /nfs/dbraw/zinc/21/01/46/388210146.db2.gz OACMIPKYIWIYNJ-CYBMUJFWSA-N 0 0 249.354 3.773 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)c1occc1C ZINC000489369689 528275335 /nfs/dbraw/zinc/27/53/35/528275335.db2.gz OACMIPKYIWIYNJ-ZDUSSCGKSA-N 0 0 249.354 3.773 20 0 BHADRN CN(C(=O)CCC1CCCCC1)[C@@H]1CC1(C)C ZINC000489376262 388210124 /nfs/dbraw/zinc/21/01/24/388210124.db2.gz WIXDZYPCEBYJGJ-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)CCC1CCCCC1)[C@H]1CC1(C)C ZINC000489376263 388209974 /nfs/dbraw/zinc/20/99/74/388209974.db2.gz WIXDZYPCEBYJGJ-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)C1CC=CC1 ZINC000489377258 388209691 /nfs/dbraw/zinc/20/96/91/388209691.db2.gz ZDGGIUMEIZCNML-AWEZNQCLSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)C1CC=CC1 ZINC000489377259 388209729 /nfs/dbraw/zinc/20/97/29/388209729.db2.gz ZDGGIUMEIZCNML-CQSZACIVSA-N 0 0 235.371 3.524 20 0 BHADRN CN(C(=O)CC1CCCCCC1)[C@@H]1CC1(C)C ZINC000489382386 219854764 /nfs/dbraw/zinc/85/47/64/219854764.db2.gz AABCHBQAEPDWJV-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)CC1CCCCCC1)[C@H]1CC1(C)C ZINC000489382387 384242060 /nfs/dbraw/zinc/24/20/60/384242060.db2.gz AABCHBQAEPDWJV-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000489386108 388210933 /nfs/dbraw/zinc/21/09/33/388210933.db2.gz CUXMUOWOSCLPTG-CABCVRRESA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000489386110 388210647 /nfs/dbraw/zinc/21/06/47/388210647.db2.gz CUXMUOWOSCLPTG-GJZGRUSLSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000489386111 388210745 /nfs/dbraw/zinc/21/07/45/388210745.db2.gz CUXMUOWOSCLPTG-HUUCEWRRSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000489386113 388210624 /nfs/dbraw/zinc/21/06/24/388210624.db2.gz CUXMUOWOSCLPTG-LSDHHAIUSA-N 0 0 249.398 3.914 20 0 BHADRN CCC1(C(=O)N(C)[C@@H]2CC2(C)C)CCCCC1 ZINC000489416093 388213029 /nfs/dbraw/zinc/21/30/29/388213029.db2.gz YSBSPUGWRYTDKY-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C(=O)N(C)[C@H]2CC2(C)C)CCCCC1 ZINC000489416094 388212823 /nfs/dbraw/zinc/21/28/23/388212823.db2.gz YSBSPUGWRYTDKY-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)N1CC[C@H]1CC ZINC000489465647 388215869 /nfs/dbraw/zinc/21/58/69/388215869.db2.gz URPNKEYUHJYFEX-CHWSQXEVSA-N 0 0 240.391 3.539 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)N1CC[C@@H]1CC ZINC000489465648 388216526 /nfs/dbraw/zinc/21/65/26/388216526.db2.gz URPNKEYUHJYFEX-OLZOCXBDSA-N 0 0 240.391 3.539 20 0 BHADRN CCCC[C@H](CCC)NC(=O)N1CC[C@H]1CC ZINC000489465650 388215776 /nfs/dbraw/zinc/21/57/76/388215776.db2.gz URPNKEYUHJYFEX-QWHCGFSZSA-N 0 0 240.391 3.539 20 0 BHADRN CCCC[C@H](CCC)NC(=O)N1CC[C@@H]1CC ZINC000489465651 388216527 /nfs/dbraw/zinc/21/65/27/388216527.db2.gz URPNKEYUHJYFEX-STQMWFEESA-N 0 0 240.391 3.539 20 0 BHADRN CCc1cccc(NC(=O)CC2CCC2)c1CC ZINC000489468015 538916668 /nfs/dbraw/zinc/91/66/68/538916668.db2.gz GTANQGYYDNVZAF-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN CCc1cccc(NC(=O)[C@H](C)C2CC2)c1CC ZINC000489476673 538916587 /nfs/dbraw/zinc/91/65/87/538916587.db2.gz UVIKRWIYYVLYLP-LLVKDONJSA-N 0 0 245.366 3.796 20 0 BHADRN CCc1cccc(NC(=O)[C@@H](C)C2CC2)c1CC ZINC000489476674 538916581 /nfs/dbraw/zinc/91/65/81/538916581.db2.gz UVIKRWIYYVLYLP-NSHDSACASA-N 0 0 245.366 3.796 20 0 BHADRN CCCCC(=O)Nc1cccc(CC)c1CC ZINC000489477447 538916786 /nfs/dbraw/zinc/91/67/86/538916786.db2.gz OIRJDUYCHXTHFB-UHFFFAOYSA-N 0 0 233.355 3.940 20 0 BHADRN CCc1cccc(NC(=O)[C@H]2CC2(C)C)c1CC ZINC000489488816 538916677 /nfs/dbraw/zinc/91/66/77/538916677.db2.gz WNNVGFOCCANRNU-CYBMUJFWSA-N 0 0 245.366 3.796 20 0 BHADRN CCc1cccc(NC(=O)CC(C)C)c1CC ZINC000489493409 538916812 /nfs/dbraw/zinc/91/68/12/538916812.db2.gz HOZATVXVQSBUHR-UHFFFAOYSA-N 0 0 233.355 3.796 20 0 BHADRN CCc1cccc(NC(=O)CC2CC2)c1CC ZINC000489500334 538916868 /nfs/dbraw/zinc/91/68/68/538916868.db2.gz PTXFYRWIIWZNDD-UHFFFAOYSA-N 0 0 231.339 3.550 20 0 BHADRN CCc1cccc(NC(=O)c2ccco2)c1CC ZINC000489514879 538916757 /nfs/dbraw/zinc/91/67/57/538916757.db2.gz RCBJISKJEAOEGJ-UHFFFAOYSA-N 0 0 243.306 3.657 20 0 BHADRN CCc1cccc(NC(=O)C2CC=CC2)c1CC ZINC000489522505 538916615 /nfs/dbraw/zinc/91/66/15/538916615.db2.gz YUJCUXWOBBQTQF-UHFFFAOYSA-N 0 0 243.350 3.716 20 0 BHADRN CCc1cccc(NC(=O)[C@H](C)CC)c1CC ZINC000489524041 538916819 /nfs/dbraw/zinc/91/68/19/538916819.db2.gz JGMKXXSKZVOIBO-LLVKDONJSA-N 0 0 233.355 3.796 20 0 BHADRN CCc1cccc(NC(=O)[C@@H](C)CC)c1CC ZINC000489524042 538916861 /nfs/dbraw/zinc/91/68/61/538916861.db2.gz JGMKXXSKZVOIBO-NSHDSACASA-N 0 0 233.355 3.796 20 0 BHADRN CCc1cccc(NC(=O)C2CCC2)c1CC ZINC000489531490 538916637 /nfs/dbraw/zinc/91/66/37/538916637.db2.gz OOXPTIZDWMWPHL-UHFFFAOYSA-N 0 0 231.339 3.550 20 0 BHADRN CCc1cccc(NC(=O)C2CCCC2)c1CC ZINC000489540117 538916512 /nfs/dbraw/zinc/91/65/12/538916512.db2.gz HMCZJEHYUGQGBX-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN CCc1cccc(NC(=O)c2ccoc2)c1CC ZINC000489547595 538916727 /nfs/dbraw/zinc/91/67/27/538916727.db2.gz FKGXORLGKVTJPF-UHFFFAOYSA-N 0 0 243.306 3.657 20 0 BHADRN C/C=C\CSCCc1ccc(F)c(F)c1 ZINC000489559899 388220785 /nfs/dbraw/zinc/22/07/85/388220785.db2.gz HUOOYQSNXOQAAZ-IHWYPQMZSA-N 0 0 228.307 3.817 20 0 BHADRN C/C=C/CSCCc1ccc(F)c(F)c1 ZINC000489559932 527623229 /nfs/dbraw/zinc/62/32/29/527623229.db2.gz HUOOYQSNXOQAAZ-NSCUHMNNSA-N 0 0 228.307 3.817 20 0 BHADRN FCCCSCCc1ccc(F)c(F)c1 ZINC000489561755 388221662 /nfs/dbraw/zinc/22/16/62/388221662.db2.gz KSXMLDMYNZRPRA-UHFFFAOYSA-N 0 0 234.286 3.600 20 0 BHADRN CCc1cccc(NC(=O)CCC2CC2)c1CC ZINC000489561835 538916989 /nfs/dbraw/zinc/91/69/89/538916989.db2.gz NWWNYTLERBTQCU-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN CCCSCCc1ccc(F)c(F)c1 ZINC000489595795 388222009 /nfs/dbraw/zinc/22/20/09/388222009.db2.gz ZYNPOCPXFNIVFO-UHFFFAOYSA-N 0 0 216.296 3.651 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)C[C@@H]1C=CCCC1 ZINC000489611161 388222262 /nfs/dbraw/zinc/22/22/62/388222262.db2.gz VXCIWRBEDUNEKR-BFHYXJOUSA-N 0 0 235.371 3.522 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@H]1C=CCCC1 ZINC000489611164 388222238 /nfs/dbraw/zinc/22/22/38/388222238.db2.gz VXCIWRBEDUNEKR-HZSPNIEDSA-N 0 0 235.371 3.522 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)C[C@H]1C=CCCC1 ZINC000489611165 388222039 /nfs/dbraw/zinc/22/20/39/388222039.db2.gz VXCIWRBEDUNEKR-MELADBBJSA-N 0 0 235.371 3.522 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@@H]1C=CCCC1 ZINC000489611168 388221889 /nfs/dbraw/zinc/22/18/89/388221889.db2.gz VXCIWRBEDUNEKR-MGPQQGTHSA-N 0 0 235.371 3.522 20 0 BHADRN CCc1cccc(NC(=O)C2(C)CCC2)c1CC ZINC000489619954 538917111 /nfs/dbraw/zinc/91/71/11/538917111.db2.gz BMCVPWASRFKBON-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN CCc1cccc(NC(=O)C(C)(C)C)c1CC ZINC000489625679 538917071 /nfs/dbraw/zinc/91/70/71/538917071.db2.gz JXLSIIHFPBIFHE-UHFFFAOYSA-N 0 0 233.355 3.796 20 0 BHADRN CCc1cccc(NC(=O)C2=CCCC2)c1CC ZINC000489627280 538916964 /nfs/dbraw/zinc/91/69/64/538916964.db2.gz SUOHFQWHEHSPMJ-UHFFFAOYSA-N 0 0 243.350 3.860 20 0 BHADRN Cc1ccc(CSCCCF)cc1C ZINC000489635034 388223056 /nfs/dbraw/zinc/22/30/56/388223056.db2.gz DSRZYVWDVPDDOY-UHFFFAOYSA-N 0 0 212.333 3.896 20 0 BHADRN CCc1cccc(NC(=O)C2(CC)CC2)c1CC ZINC000489636165 538916931 /nfs/dbraw/zinc/91/69/31/538916931.db2.gz RKBKSJPKGSQHFZ-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN Cc1ccc2ccccc2c1CS[C@H](C)CO ZINC000489657820 388222722 /nfs/dbraw/zinc/22/27/22/388222722.db2.gz IKHZMYPELXOCEQ-GFCCVEGCSA-N 0 0 246.375 3.762 20 0 BHADRN Cc1ccc2ccccc2c1CS[C@@H](C)CO ZINC000489657821 388222572 /nfs/dbraw/zinc/22/25/72/388222572.db2.gz IKHZMYPELXOCEQ-LBPRGKRZSA-N 0 0 246.375 3.762 20 0 BHADRN CCc1cccc(NC(=O)C2(C)CC2)c1CC ZINC000489660410 538917084 /nfs/dbraw/zinc/91/70/84/538917084.db2.gz ADORHCGPSBOZDK-UHFFFAOYSA-N 0 0 231.339 3.550 20 0 BHADRN CCC1(CC)CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000489664423 388222813 /nfs/dbraw/zinc/22/28/13/388222813.db2.gz GERPOHAUXMDNQC-AWEZNQCLSA-N 0 0 249.398 3.772 20 0 BHADRN CCC1(CC)CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000489664424 388222556 /nfs/dbraw/zinc/22/25/56/388222556.db2.gz GERPOHAUXMDNQC-CQSZACIVSA-N 0 0 249.398 3.772 20 0 BHADRN CCCC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000489671338 388223120 /nfs/dbraw/zinc/22/31/20/388223120.db2.gz ZFAQYESQSFWDRN-CABCVRRESA-N 0 0 245.366 3.629 20 0 BHADRN CCCC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000489671340 388222774 /nfs/dbraw/zinc/22/27/74/388222774.db2.gz ZFAQYESQSFWDRN-GJZGRUSLSA-N 0 0 245.366 3.629 20 0 BHADRN CCCC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000489671342 388223144 /nfs/dbraw/zinc/22/31/44/388223144.db2.gz ZFAQYESQSFWDRN-HUUCEWRRSA-N 0 0 245.366 3.629 20 0 BHADRN CCCC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000489671344 527947432 /nfs/dbraw/zinc/94/74/32/527947432.db2.gz ZFAQYESQSFWDRN-LSDHHAIUSA-N 0 0 245.366 3.629 20 0 BHADRN CCC(=O)c1ccc(O[C@@H]2C=CCCC2)c(F)c1 ZINC000489675108 388223097 /nfs/dbraw/zinc/22/30/97/388223097.db2.gz PMRVGTRINYXTEJ-GFCCVEGCSA-N 0 0 248.297 3.906 20 0 BHADRN CCC(=O)c1ccc(O[C@H]2C=CCCC2)c(F)c1 ZINC000489675113 388222805 /nfs/dbraw/zinc/22/28/05/388222805.db2.gz PMRVGTRINYXTEJ-LBPRGKRZSA-N 0 0 248.297 3.906 20 0 BHADRN CC(=O)[C@H](C)SCc1cc2ccccc2o1 ZINC000489677934 388222767 /nfs/dbraw/zinc/22/27/67/388222767.db2.gz IXBBJKRBQOSGIO-JTQLQIEISA-N 0 0 234.320 3.644 20 0 BHADRN CC(=O)[C@@H](C)SCc1cc2ccccc2o1 ZINC000489677938 527125211 /nfs/dbraw/zinc/12/52/11/527125211.db2.gz IXBBJKRBQOSGIO-SNVBAGLBSA-N 0 0 234.320 3.644 20 0 BHADRN CCCc1nnc(SCCC(C)(C)CC)o1 ZINC000489690372 388223317 /nfs/dbraw/zinc/22/33/17/388223317.db2.gz LWSYNCBLCNXWHK-UHFFFAOYSA-N 0 0 242.388 3.941 20 0 BHADRN Cc1ccc(NCCc2ccc(F)c(F)c2)cc1 ZINC000489693927 388223617 /nfs/dbraw/zinc/22/36/17/388223617.db2.gz GFPPUCOJVPKYRG-UHFFFAOYSA-N 0 0 247.288 3.928 20 0 BHADRN Cc1ccccc1NCCc1ccc(F)c(F)c1 ZINC000489694593 388223537 /nfs/dbraw/zinc/22/35/37/388223537.db2.gz HWEBDGURZLIQJJ-UHFFFAOYSA-N 0 0 247.288 3.928 20 0 BHADRN CC(C)CC1(CNC(=O)C[C@H]2C=CCCC2)CC1 ZINC000489695632 527691566 /nfs/dbraw/zinc/69/15/66/527691566.db2.gz LKGFBFYVNKRZPY-AWEZNQCLSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)CC1(CNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC000489695633 388223681 /nfs/dbraw/zinc/22/36/81/388223681.db2.gz LKGFBFYVNKRZPY-CQSZACIVSA-N 0 0 249.398 3.675 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)C[C@H]1C=CCCC1 ZINC000489697005 528917466 /nfs/dbraw/zinc/91/74/66/528917466.db2.gz PEJDTZLTKLOZMY-KBPBESRZSA-N 0 0 249.398 3.818 20 0 BHADRN CC1(C)CCCC[C@@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC000489697007 388223383 /nfs/dbraw/zinc/22/33/83/388223383.db2.gz PEJDTZLTKLOZMY-KGLIPLIRSA-N 0 0 249.398 3.818 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC000489697008 388223684 /nfs/dbraw/zinc/22/36/84/388223684.db2.gz PEJDTZLTKLOZMY-UONOGXRCSA-N 0 0 249.398 3.818 20 0 BHADRN CC1(C)CCCC[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC000489697010 528922655 /nfs/dbraw/zinc/92/26/55/528922655.db2.gz PEJDTZLTKLOZMY-ZIAGYGMSSA-N 0 0 249.398 3.818 20 0 BHADRN Cc1cccc(NCCc2ccc(F)c(F)c2)c1 ZINC000489702184 388223875 /nfs/dbraw/zinc/22/38/75/388223875.db2.gz LJIFAIOPFHRHHV-UHFFFAOYSA-N 0 0 247.288 3.928 20 0 BHADRN CCCC1(CNC(=O)C[C@H]2C=CCCC2)CCC1 ZINC000489710685 388223274 /nfs/dbraw/zinc/22/32/74/388223274.db2.gz FFQGKOPJRKXDQD-AWEZNQCLSA-N 0 0 249.398 3.819 20 0 BHADRN CCCC1(CNC(=O)C[C@@H]2C=CCCC2)CCC1 ZINC000489710686 388223459 /nfs/dbraw/zinc/22/34/59/388223459.db2.gz FFQGKOPJRKXDQD-CQSZACIVSA-N 0 0 249.398 3.819 20 0 BHADRN Cc1cc(F)cc(NC(=O)C[C@@H]2C=CCCC2)c1 ZINC000489734315 533830147 /nfs/dbraw/zinc/83/01/47/533830147.db2.gz ICNMTPUUVRBGHN-GFCCVEGCSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cc(F)cc(NC(=O)C[C@H]2C=CCCC2)c1 ZINC000489734317 388224271 /nfs/dbraw/zinc/22/42/71/388224271.db2.gz ICNMTPUUVRBGHN-LBPRGKRZSA-N 0 0 247.313 3.819 20 0 BHADRN CCC1(CNC(=O)C[C@H]2C=CCCC2)CCCC1 ZINC000489737441 527710201 /nfs/dbraw/zinc/71/02/01/527710201.db2.gz MWXRBNBIDGXYJF-AWEZNQCLSA-N 0 0 249.398 3.819 20 0 BHADRN CCC1(CNC(=O)C[C@@H]2C=CCCC2)CCCC1 ZINC000489737443 388224024 /nfs/dbraw/zinc/22/40/24/388224024.db2.gz MWXRBNBIDGXYJF-CQSZACIVSA-N 0 0 249.398 3.819 20 0 BHADRN CCCN(C(=O)C[C@@H]1C=CCCC1)C(C)(C)C ZINC000489742351 388224472 /nfs/dbraw/zinc/22/44/72/388224472.db2.gz RRKSJOCWPDACCW-CYBMUJFWSA-N 0 0 237.387 3.770 20 0 BHADRN CCCN(C(=O)C[C@H]1C=CCCC1)C(C)(C)C ZINC000489742352 527743535 /nfs/dbraw/zinc/74/35/35/527743535.db2.gz RRKSJOCWPDACCW-ZDUSSCGKSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)CNC(=O)Nc1ccc(C2CCC2)cc1 ZINC000489760831 528050525 /nfs/dbraw/zinc/05/05/25/528050525.db2.gz JSOJFEKTICKICA-UHFFFAOYSA-N 0 0 246.354 3.732 20 0 BHADRN CCCCNC(=O)Nc1ccc(C2CCC2)cc1 ZINC000489760835 388224197 /nfs/dbraw/zinc/22/41/97/388224197.db2.gz JTVWBGMEVGPYAJ-UHFFFAOYSA-N 0 0 246.354 3.876 20 0 BHADRN CC[C@@H](C)NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000489761966 388224553 /nfs/dbraw/zinc/22/45/53/388224553.db2.gz MYMFNSBSGHYJKQ-LLVKDONJSA-N 0 0 246.354 3.874 20 0 BHADRN CC[C@H](C)NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000489761967 388224295 /nfs/dbraw/zinc/22/42/95/388224295.db2.gz MYMFNSBSGHYJKQ-NSHDSACASA-N 0 0 246.354 3.874 20 0 BHADRN C[C@@H]1CCC[C@H](N[C@H](C2CC2)C(F)(F)F)[C@H]1C ZINC000489763953 388224313 /nfs/dbraw/zinc/22/43/13/388224313.db2.gz FQRXXAJFOIVZDS-LLHIFLOGSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CCC[C@H](N[C@@H](C2CC2)C(F)(F)F)[C@@H]1C ZINC000489763955 388224179 /nfs/dbraw/zinc/22/41/79/388224179.db2.gz FQRXXAJFOIVZDS-LSKIRQOJSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CCC[C@H](N[C@H](C2CC2)C(F)(F)F)[C@@H]1C ZINC000489763957 388224082 /nfs/dbraw/zinc/22/40/82/388224082.db2.gz FQRXXAJFOIVZDS-PKZYVASSSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CCC[C@H](N[C@@H](C2CC2)C(F)(F)F)[C@H]1C ZINC000489763958 388224607 /nfs/dbraw/zinc/22/46/07/388224607.db2.gz FQRXXAJFOIVZDS-QCZKYFFMSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CC[C@H](N[C@H](C2CC2)C(F)(F)F)[C@@H](C)C1 ZINC000489771472 388224373 /nfs/dbraw/zinc/22/43/73/388224373.db2.gz SKESNTOMDMCDIB-LLHIFLOGSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CC[C@H](N[C@@H](C2CC2)C(F)(F)F)[C@H](C)C1 ZINC000489771473 388224158 /nfs/dbraw/zinc/22/41/58/388224158.db2.gz SKESNTOMDMCDIB-LSKIRQOJSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CC[C@H](N[C@H](C2CC2)C(F)(F)F)[C@H](C)C1 ZINC000489771474 388224476 /nfs/dbraw/zinc/22/44/76/388224476.db2.gz SKESNTOMDMCDIB-PKZYVASSSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CC[C@H](N[C@@H](C2CC2)C(F)(F)F)[C@@H](C)C1 ZINC000489771475 388224529 /nfs/dbraw/zinc/22/45/29/388224529.db2.gz SKESNTOMDMCDIB-QCZKYFFMSA-N 0 0 249.320 3.742 20 0 BHADRN O=C(Nc1ccc(C2CCC2)cc1)NC1CCC1 ZINC000489777360 388224690 /nfs/dbraw/zinc/22/46/90/388224690.db2.gz JSMYLIGEXSQNNB-UHFFFAOYSA-N 0 0 244.338 3.628 20 0 BHADRN CCC1CCC(N[C@@H](C2CC2)C(F)(F)F)CC1 ZINC000489801543 388225314 /nfs/dbraw/zinc/22/53/14/388225314.db2.gz PELDWRQWVRZBEP-NHNAUAITSA-N 0 0 249.320 3.886 20 0 BHADRN CCC1CCC(N[C@H](C2CC2)C(F)(F)F)CC1 ZINC000489801546 388225141 /nfs/dbraw/zinc/22/51/41/388225141.db2.gz PELDWRQWVRZBEP-QEWOUOOISA-N 0 0 249.320 3.886 20 0 BHADRN CC(C)(C)NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000489805206 388225505 /nfs/dbraw/zinc/22/55/05/388225505.db2.gz BWFGNNVKXYJJLU-UHFFFAOYSA-N 0 0 246.354 3.874 20 0 BHADRN CC1(C)CCC(N[C@H](C2CC2)C(F)(F)F)CC1 ZINC000489806112 388225125 /nfs/dbraw/zinc/22/51/25/388225125.db2.gz YZNNIGUZFLOQJI-LLVKDONJSA-N 0 0 249.320 3.886 20 0 BHADRN CC1(C)CCC(N[C@@H](C2CC2)C(F)(F)F)CC1 ZINC000489806113 388225380 /nfs/dbraw/zinc/22/53/80/388225380.db2.gz YZNNIGUZFLOQJI-NSHDSACASA-N 0 0 249.320 3.886 20 0 BHADRN C[C@@H]1CC[C@H](N[C@@H](C2CC2)C(F)(F)F)C[C@@H]1C ZINC000489861436 225492032 /nfs/dbraw/zinc/49/20/32/225492032.db2.gz SITIGIVFYATNHU-QCZKYFFMSA-N 0 0 249.320 3.742 20 0 BHADRN Cc1ccnc(N2CCC(C)(C(C)C)CC2)c1 ZINC000489877959 388226844 /nfs/dbraw/zinc/22/68/44/388226844.db2.gz AEZDIOXLSQHMCL-UHFFFAOYSA-N 0 0 232.371 3.653 20 0 BHADRN CC[C@@H]1CCC[C@H](N[C@H](C2CC2)C(F)(F)F)C1 ZINC000489882004 388227100 /nfs/dbraw/zinc/22/71/00/388227100.db2.gz IRDNJIZYSAWXFS-ADEWGFFLSA-N 0 0 249.320 3.886 20 0 BHADRN CC[C@@H]1CCC[C@@H](N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000489882006 388226878 /nfs/dbraw/zinc/22/68/78/388226878.db2.gz IRDNJIZYSAWXFS-JLLWLGSASA-N 0 0 249.320 3.886 20 0 BHADRN CC[C@@H]1CCC[C@H](N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000489882007 388226838 /nfs/dbraw/zinc/22/68/38/388226838.db2.gz IRDNJIZYSAWXFS-USWWRNFRSA-N 0 0 249.320 3.886 20 0 BHADRN CC[C@@H]1CCC[C@@H](N[C@H](C2CC2)C(F)(F)F)C1 ZINC000489882009 388227211 /nfs/dbraw/zinc/22/72/11/388227211.db2.gz IRDNJIZYSAWXFS-YUSALJHKSA-N 0 0 249.320 3.886 20 0 BHADRN CC1(C)CCC[C@@H](N[C@H](C2CC2)C(F)(F)F)C1 ZINC000489882962 388226963 /nfs/dbraw/zinc/22/69/63/388226963.db2.gz JDWZESBGNXADMD-GHMZBOCLSA-N 0 0 249.320 3.886 20 0 BHADRN Cc1cccc(N2CCC(C)(C(C)C)CC2)n1 ZINC000489890114 388227270 /nfs/dbraw/zinc/22/72/70/388227270.db2.gz DDYWISBOEGXUAK-UHFFFAOYSA-N 0 0 232.371 3.653 20 0 BHADRN Cc1ccc2oc(N3CC4(C3)CCCC4)nc2c1 ZINC000489891751 534537150 /nfs/dbraw/zinc/53/71/50/534537150.db2.gz GTTHPPZBQUKIBQ-UHFFFAOYSA-N 0 0 242.322 3.517 20 0 BHADRN c1ccc2sc(N3CC4(C3)CCCC4)nc2c1 ZINC000489900145 388228194 /nfs/dbraw/zinc/22/81/94/388228194.db2.gz WLZJXSFXDBVPMB-UHFFFAOYSA-N 0 0 244.363 3.677 20 0 BHADRN C[C@H](CC1CCCC1)N[C@H](C1CC1)C(F)(F)F ZINC000489912938 388228461 /nfs/dbraw/zinc/22/84/61/388228461.db2.gz XUAWEHUDUFPNSX-BXKDBHETSA-N 0 0 249.320 3.886 20 0 BHADRN C[C@@H](CC1CCCC1)N[C@@H](C1CC1)C(F)(F)F ZINC000489912939 388228157 /nfs/dbraw/zinc/22/81/57/388228157.db2.gz XUAWEHUDUFPNSX-CABZTGNLSA-N 0 0 249.320 3.886 20 0 BHADRN C[C@@H](CC1CCCC1)N[C@H](C1CC1)C(F)(F)F ZINC000489912940 388228036 /nfs/dbraw/zinc/22/80/36/388228036.db2.gz XUAWEHUDUFPNSX-JOYOIKCWSA-N 0 0 249.320 3.886 20 0 BHADRN C[C@H](CC1CCCC1)N[C@@H](C1CC1)C(F)(F)F ZINC000489912941 388227780 /nfs/dbraw/zinc/22/77/80/388227780.db2.gz XUAWEHUDUFPNSX-SKDRFNHKSA-N 0 0 249.320 3.886 20 0 BHADRN CCC1(NC(=O)c2cc(C)c(F)c(C)c2)CCC1 ZINC000489929333 527794436 /nfs/dbraw/zinc/79/44/36/527794436.db2.gz IPIIQPNUCKXNOS-UHFFFAOYSA-N 0 0 249.329 3.505 20 0 BHADRN C[C@H]1CC(N[C@H](C2CC2)C(F)(F)F)C[C@H](C)C1 ZINC000489934308 388229379 /nfs/dbraw/zinc/22/93/79/388229379.db2.gz LPKHPPDEMWSVQP-KBVBSXBZSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@H]1C[C@H](N[C@H](C2CC2)C(F)(F)F)C[C@@H](C)C1 ZINC000489934310 388228832 /nfs/dbraw/zinc/22/88/32/388228832.db2.gz LPKHPPDEMWSVQP-LLHIFLOGSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@H]1CC(N[C@@H](C2CC2)C(F)(F)F)C[C@H](C)C1 ZINC000489934312 388229002 /nfs/dbraw/zinc/22/90/02/388229002.db2.gz LPKHPPDEMWSVQP-LNLATYFQSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@H]1C[C@H](N[C@@H](C2CC2)C(F)(F)F)C[C@@H](C)C1 ZINC000489934314 388229332 /nfs/dbraw/zinc/22/93/32/388229332.db2.gz LPKHPPDEMWSVQP-SPFNVWMYSA-N 0 0 249.320 3.742 20 0 BHADRN FC(F)(F)[C@H](N[C@@H]1CCC12CCCC2)C1CC1 ZINC000489940968 388229105 /nfs/dbraw/zinc/22/91/05/388229105.db2.gz KFMACYGFWGZNBA-GHMZBOCLSA-N 0 0 247.304 3.640 20 0 BHADRN FC(F)(F)[C@@H](N[C@@H]1CCC12CCCC2)C1CC1 ZINC000489940969 388228758 /nfs/dbraw/zinc/22/87/58/388228758.db2.gz KFMACYGFWGZNBA-MNOVXSKESA-N 0 0 247.304 3.640 20 0 BHADRN FC(F)(F)[C@@H](N[C@H]1CCC12CCCC2)C1CC1 ZINC000489940971 388228674 /nfs/dbraw/zinc/22/86/74/388228674.db2.gz KFMACYGFWGZNBA-QWRGUYRKSA-N 0 0 247.304 3.640 20 0 BHADRN FC(F)(F)[C@H](N[C@H]1CCC12CCCC2)C1CC1 ZINC000489940972 388229218 /nfs/dbraw/zinc/22/92/18/388229218.db2.gz KFMACYGFWGZNBA-WDEREUQCSA-N 0 0 247.304 3.640 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@@H]1N[C@H](C1CC1)C(F)(F)F ZINC000489943941 534146100 /nfs/dbraw/zinc/14/61/00/534146100.db2.gz WGZRYPQBTUEBSM-DVVUODLYSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@H]1N[C@H](C1CC1)C(F)(F)F ZINC000489943942 388229277 /nfs/dbraw/zinc/22/92/77/388229277.db2.gz WGZRYPQBTUEBSM-FBIMIBRVSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@H]1N[C@@H](C1CC1)C(F)(F)F ZINC000489943943 388229090 /nfs/dbraw/zinc/22/90/90/388229090.db2.gz WGZRYPQBTUEBSM-IEBDPFPHSA-N 0 0 249.320 3.742 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H](C1CC1)C(F)(F)F ZINC000489943944 388228998 /nfs/dbraw/zinc/22/89/98/388228998.db2.gz WGZRYPQBTUEBSM-MIMYLULJSA-N 0 0 249.320 3.742 20 0 BHADRN Cc1cccc(N(C)C(=O)C2CCCCC2)c1C ZINC000489956413 388228888 /nfs/dbraw/zinc/22/88/88/388228888.db2.gz KXDRFFYJFZFEBP-UHFFFAOYSA-N 0 0 245.366 3.847 20 0 BHADRN CCC[C@@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000489966148 528849995 /nfs/dbraw/zinc/84/99/95/528849995.db2.gz OJKGCHGXFLGXFE-GFCCVEGCSA-N 0 0 225.376 3.602 20 0 BHADRN CCC[C@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000489966149 388229752 /nfs/dbraw/zinc/22/97/52/388229752.db2.gz OJKGCHGXFLGXFE-LBPRGKRZSA-N 0 0 225.376 3.602 20 0 BHADRN CN(C[C@H]1CC=CCC1)C(=O)C[C@@H]1C=CCCC1 ZINC000489973528 388229968 /nfs/dbraw/zinc/22/99/68/388229968.db2.gz UCZDLNLWQOOXTO-CABCVRRESA-N 0 0 247.382 3.548 20 0 BHADRN CN(C[C@H]1CC=CCC1)C(=O)C[C@H]1C=CCCC1 ZINC000489973529 388229693 /nfs/dbraw/zinc/22/96/93/388229693.db2.gz 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388235685 /nfs/dbraw/zinc/23/56/85/388235685.db2.gz HLKHTNXFQAPENF-KBXIAJHMSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)C[C@@H]1C ZINC000490100189 388235411 /nfs/dbraw/zinc/23/54/11/388235411.db2.gz HLKHTNXFQAPENF-QPSCCSFWSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)C[C@H]1C ZINC000490100190 388235319 /nfs/dbraw/zinc/23/53/19/388235319.db2.gz HLKHTNXFQAPENF-TUVASFSCSA-N 0 0 249.398 3.674 20 0 BHADRN CC1(C)C[C@H]1NC(=O)CCCC1CCCCC1 ZINC000490116215 527762633 /nfs/dbraw/zinc/76/26/33/527762633.db2.gz BYINMFKPCORTLR-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)C[C@@H]1NC(=O)CCCC1CCCCC1 ZINC000490116216 388235744 /nfs/dbraw/zinc/23/57/44/388235744.db2.gz BYINMFKPCORTLR-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(NC(=O)CC2CCCCC2)CCCCC1 ZINC000490117017 388235418 /nfs/dbraw/zinc/23/54/18/388235418.db2.gz IHKFOOURBAOXDY-UHFFFAOYSA-N 0 0 237.387 3.796 20 0 BHADRN CC1(C)CCC(C(=O)NCc2ccccc2)CC1 ZINC000490147283 388235164 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FYMCQTFMODAWIC-UHFFFAOYSA-N 0 0 249.329 3.981 20 0 BHADRN CCCCCNC(=O)C1CCC(C)(C)CC1 ZINC000490202512 388236492 /nfs/dbraw/zinc/23/64/92/388236492.db2.gz OLQQJTWAAMKLTM-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN C[C@@H](C(=O)Nc1csc2ccccc12)C1CC1 ZINC000490210926 388236478 /nfs/dbraw/zinc/23/64/78/388236478.db2.gz DJFTWNPEHNXSQZ-SECBINFHSA-N 0 0 245.347 3.886 20 0 BHADRN C[C@H](C(=O)Nc1csc2ccccc12)C1CC1 ZINC000490210927 388236464 /nfs/dbraw/zinc/23/64/64/388236464.db2.gz DJFTWNPEHNXSQZ-VIFPVBQESA-N 0 0 245.347 3.886 20 0 BHADRN CC(C)(C)C(=O)Nc1csc2ccccc12 ZINC000490213058 388236499 /nfs/dbraw/zinc/23/64/99/388236499.db2.gz PTDQIGQUFCHKFA-UHFFFAOYSA-N 0 0 233.336 3.886 20 0 BHADRN CC[C@@H](C)C(=O)Nc1csc2ccccc12 ZINC000490242056 529304642 /nfs/dbraw/zinc/30/46/42/529304642.db2.gz IQVGZPVBVJZJBX-SECBINFHSA-N 0 0 233.336 3.886 20 0 BHADRN CC[C@H](C)C(=O)Nc1csc2ccccc12 ZINC000490242064 388237238 /nfs/dbraw/zinc/23/72/38/388237238.db2.gz IQVGZPVBVJZJBX-VIFPVBQESA-N 0 0 233.336 3.886 20 0 BHADRN CC(C)(c1nc(-c2cccc(F)c2)no1)C1CC1 ZINC000490245327 388237217 /nfs/dbraw/zinc/23/72/17/388237217.db2.gz QFLVPSZGHKHEHN-UHFFFAOYSA-N 0 0 246.285 3.563 20 0 BHADRN Cc1ccc(-c2noc(C(C)(C)C3CC3)n2)cc1 ZINC000490262897 388237220 /nfs/dbraw/zinc/23/72/20/388237220.db2.gz RLGDDBZYDOYWOP-UHFFFAOYSA-N 0 0 242.322 3.733 20 0 BHADRN CC(C)(c1nc(C2CCCCC2)no1)C1CC1 ZINC000490279230 388236876 /nfs/dbraw/zinc/23/68/76/388236876.db2.gz ZARQTQXPOBFKEX-UHFFFAOYSA-N 0 0 234.343 3.805 20 0 BHADRN CC(C)NC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000490362698 388237949 /nfs/dbraw/zinc/23/79/49/388237949.db2.gz GRSXZPPPKDFMTL-WAYWQWQTSA-N 0 0 245.366 3.738 20 0 BHADRN Cc1ccccc1-c1noc(C(C)(C)C2CC2)n1 ZINC000490367181 388237816 /nfs/dbraw/zinc/23/78/16/388237816.db2.gz KPMIARGKRYYHTA-UHFFFAOYSA-N 0 0 242.322 3.733 20 0 BHADRN CC(C)CCC(=O)N(C(C)C)C1CCCCC1 ZINC000490401110 527695603 /nfs/dbraw/zinc/69/56/03/527695603.db2.gz PEECLGJPNCAGNH-UHFFFAOYSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC(C)(C)CC(=O)N1CCCC[C@H]1CC ZINC000490413835 388238873 /nfs/dbraw/zinc/23/88/73/388238873.db2.gz GQLULIAZRXFLHI-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC(C)(C)CC(=O)N1CCCC[C@@H]1CC ZINC000490413836 388238904 /nfs/dbraw/zinc/23/89/04/388238904.db2.gz GQLULIAZRXFLHI-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC(C)(C)CC(=O)N(C)c1ccccc1 ZINC000490421425 388238559 /nfs/dbraw/zinc/23/85/59/388238559.db2.gz XTXRCZKBFWKTJY-UHFFFAOYSA-N 0 0 233.355 3.866 20 0 BHADRN CCCC(C)(C)CC(=O)Nc1ccccc1OC ZINC000490442143 527983561 /nfs/dbraw/zinc/98/35/61/527983561.db2.gz HUQCLEHQBPHILL-UHFFFAOYSA-N 0 0 249.354 3.850 20 0 BHADRN CCCC(C)(C)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000490449087 527976424 /nfs/dbraw/zinc/97/64/24/527976424.db2.gz YSHXKFHEKUBYKF-BETUJISGSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC(C)(C)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000490449088 388238737 /nfs/dbraw/zinc/23/87/37/388238737.db2.gz YSHXKFHEKUBYKF-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC(C)(C)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000490449089 388239376 /nfs/dbraw/zinc/23/93/76/388239376.db2.gz YSHXKFHEKUBYKF-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN CSC1(C(=O)Nc2ccc(C)c(C)c2)CCC1 ZINC000490460634 388239374 /nfs/dbraw/zinc/23/93/74/388239374.db2.gz MBLSBHZLYJGVCJ-UHFFFAOYSA-N 0 0 249.379 3.528 20 0 BHADRN CCCN(CCC)C(=O)CC(C)(C)CCC ZINC000490471159 388239261 /nfs/dbraw/zinc/23/92/61/388239261.db2.gz QZHSDWMEJSJLDW-UHFFFAOYSA-N 0 0 227.392 3.851 20 0 BHADRN CCC[C@@H](CC)NC(=O)C1CCC(C)(C)CC1 ZINC000490533136 388239873 /nfs/dbraw/zinc/23/98/73/388239873.db2.gz CEOIXJZGEOXIJI-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](CC)NC(=O)C1CCC(C)(C)CC1 ZINC000490533137 388239927 /nfs/dbraw/zinc/23/99/27/388239927.db2.gz CEOIXJZGEOXIJI-ZDUSSCGKSA-N 0 0 239.403 3.898 20 0 BHADRN CC1(C)CCC(C(=O)NCC2CCCC2)CC1 ZINC000490536924 528895225 /nfs/dbraw/zinc/89/52/25/528895225.db2.gz TXFCUVDAHTZNAY-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(C)CCC(C(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000490541362 388240200 /nfs/dbraw/zinc/24/02/00/388240200.db2.gz XSPZSDWAHJNTPH-CYBMUJFWSA-N 0 0 249.398 3.675 20 0 BHADRN CC1(C)CCC(C(=O)NC[C@H]2CC=CCC2)CC1 ZINC000490541368 528895139 /nfs/dbraw/zinc/89/51/39/528895139.db2.gz XSPZSDWAHJNTPH-ZDUSSCGKSA-N 0 0 249.398 3.675 20 0 BHADRN CCCC[C@H](CC)C(=O)N1CCC(CC)CC1 ZINC000490571345 388240454 /nfs/dbraw/zinc/24/04/54/388240454.db2.gz YOLBWINXDOTZCN-AWEZNQCLSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1CCC(CC)CC1 ZINC000490571346 259507184 /nfs/dbraw/zinc/50/71/84/259507184.db2.gz YOLBWINXDOTZCN-CQSZACIVSA-N 0 0 239.403 3.851 20 0 BHADRN c1ccc(NCc2ccc3c(c2)CCCC3)nc1 ZINC000490573205 388241026 /nfs/dbraw/zinc/24/10/26/388241026.db2.gz UEWKDCCTYDHRFD-UHFFFAOYSA-N 0 0 238.334 3.573 20 0 BHADRN C/C=C/C=C\C(=O)Nc1c(C)cccc1CC ZINC000490574672 527612349 /nfs/dbraw/zinc/61/23/49/527612349.db2.gz CRMQMPOPHYAJRL-JWVBWWOWSA-N 0 0 229.323 3.628 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccccc1OC(C)C ZINC000490577934 388240471 /nfs/dbraw/zinc/24/04/71/388240471.db2.gz VRWCNSDCUUYCKB-QTJNYWJXSA-N 0 0 245.322 3.545 20 0 BHADRN CN(C(=O)C1CCCCCC1)C1(C)CCCC1 ZINC000490579025 388241634 /nfs/dbraw/zinc/24/16/34/388241634.db2.gz KLWDSJAPUCZDSF-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN Cc1ccc(C(=O)N(C)C2(C)CCCC2)cc1C ZINC000490579092 388241816 /nfs/dbraw/zinc/24/18/16/388241816.db2.gz LPVGLQMELQSYAJ-UHFFFAOYSA-N 0 0 245.366 3.708 20 0 BHADRN Cc1ccc(F)cc1C(=O)N(C)C1(C)CCCC1 ZINC000490584986 388241580 /nfs/dbraw/zinc/24/15/80/388241580.db2.gz XEDCFSDHJNJYKC-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN C[C@@H](C(=O)N(C)C1(C)CCCC1)c1ccccc1 ZINC000490595423 388241282 /nfs/dbraw/zinc/24/12/82/388241282.db2.gz SKAGHYZHNBOBMF-CYBMUJFWSA-N 0 0 245.366 3.581 20 0 BHADRN C[C@H](C(=O)N(C)C1(C)CCCC1)c1ccccc1 ZINC000490595424 388241811 /nfs/dbraw/zinc/24/18/11/388241811.db2.gz SKAGHYZHNBOBMF-ZDUSSCGKSA-N 0 0 245.366 3.581 20 0 BHADRN CN(C(=O)CC1=CCCCC1)C1(C)CCCC1 ZINC000490600839 225522200 /nfs/dbraw/zinc/52/22/00/225522200.db2.gz KKTBOKPDEUUORS-UHFFFAOYSA-N 0 0 235.371 3.668 20 0 BHADRN Cc1ccc(C(=O)N(C)C2(C)CCCC2)cc1F ZINC000490603165 388242022 /nfs/dbraw/zinc/24/20/22/388242022.db2.gz RHDCAVXKHCKFNI-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN CC[C@H](CC(=O)N(C)C1(C)CCCC1)C(C)C ZINC000490603354 388242073 /nfs/dbraw/zinc/24/20/73/388242073.db2.gz RTLDMIREQIDRDF-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H](CC(=O)N(C)C1(C)CCCC1)C(C)C ZINC000490603355 388242113 /nfs/dbraw/zinc/24/21/13/388242113.db2.gz RTLDMIREQIDRDF-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN C/C=C/C=C\C(=O)N(C)[C@H](C)c1ccccc1C ZINC000490603818 398026019 /nfs/dbraw/zinc/02/60/19/398026019.db2.gz FWOCUCVNKXQHNJ-AJZNHJTISA-N 0 0 243.350 3.647 20 0 BHADRN C/C=C/C=C\C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000490603844 398025827 /nfs/dbraw/zinc/02/58/27/398025827.db2.gz FWOCUCVNKXQHNJ-MBLDWZQFSA-N 0 0 243.350 3.647 20 0 BHADRN CN(C(=O)/C=C\c1ccsc1)C1CCCCC1 ZINC000490608596 388242605 /nfs/dbraw/zinc/24/26/05/388242605.db2.gz YKLXVDUHAXNUCL-FPLPWBNLSA-N 0 0 249.379 3.552 20 0 BHADRN CN(C(=O)CCC(C)(C)C)C1(C)CCCC1 ZINC000490620928 388243031 /nfs/dbraw/zinc/24/30/31/388243031.db2.gz OLVLMTGADKFCKN-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1ccc(O)c(NC(=O)C(C)(C)C(C)(C)C)c1 ZINC000490624502 388243535 /nfs/dbraw/zinc/24/35/35/388243535.db2.gz AKSHWJILGBDINF-UHFFFAOYSA-N 0 0 249.354 3.711 20 0 BHADRN CC(C)[C@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC000490626498 388243572 /nfs/dbraw/zinc/24/35/72/388243572.db2.gz HNENPGSITPIVNS-GFCCVEGCSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC000490626499 388243501 /nfs/dbraw/zinc/24/35/01/388243501.db2.gz HNENPGSITPIVNS-LBPRGKRZSA-N 0 0 239.403 3.611 20 0 BHADRN CN(C(=O)CCC1CCCC1)C1(C)CCCC1 ZINC000490629290 388243601 /nfs/dbraw/zinc/24/36/01/388243601.db2.gz TZOZTXHNINZSJT-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CCC1(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000490632642 388244384 /nfs/dbraw/zinc/24/43/84/388244384.db2.gz RUQVDHZRWXLXJN-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1cc(F)ccc1C(=O)N(C)C1(C)CCCC1 ZINC000490633189 388244655 /nfs/dbraw/zinc/24/46/55/388244655.db2.gz UPBNQRORAOFNFR-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N(C)C1(C)CCCC1 ZINC000490641832 388245108 /nfs/dbraw/zinc/24/51/08/388245108.db2.gz BNFHUCNKHIIMNN-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N(C)C1(C)CCCC1 ZINC000490641833 388244863 /nfs/dbraw/zinc/24/48/63/388244863.db2.gz BNFHUCNKHIIMNN-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1ccc(C(=O)N(C)C2(C)CCCC2)c(F)c1 ZINC000490641847 225528612 /nfs/dbraw/zinc/52/86/12/225528612.db2.gz BPKZGVOQCZSLPQ-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN CN(C(=O)[C@@H]1CCC(C)(C)C1)C1(C)CCCC1 ZINC000490642931 225528578 /nfs/dbraw/zinc/52/85/78/225528578.db2.gz HETLTIBKFKHKDM-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)[C@H]1CCC(C)(C)C1)C1(C)CCCC1 ZINC000490642932 225529461 /nfs/dbraw/zinc/52/94/61/225529461.db2.gz HETLTIBKFKHKDM-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)N(C)C1(C)CCCC1 ZINC000490645888 528246233 /nfs/dbraw/zinc/24/62/33/528246233.db2.gz QJMQCLKIZOVIRI-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)C[C@H](C)CC(=O)N(C)C1(C)CCCC1 ZINC000490645889 388244842 /nfs/dbraw/zinc/24/48/42/388244842.db2.gz QJMQCLKIZOVIRI-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H](CC(=O)N(C)C1(C)CCCC1)C(C)(C)C ZINC000490648752 388245746 /nfs/dbraw/zinc/24/57/46/388245746.db2.gz GFFFYANUTWVKDP-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](CC(=O)N(C)C1(C)CCCC1)C(C)(C)C ZINC000490648754 533406481 /nfs/dbraw/zinc/40/64/81/533406481.db2.gz GFFFYANUTWVKDP-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CN(C(=O)[C@H]1CCCC1(C)C)C1(C)CCCC1 ZINC000490649318 225530090 /nfs/dbraw/zinc/53/00/90/225530090.db2.gz VURITPOMYTWEAO-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)[C@@H]1CCCC1(C)C)C1(C)CCCC1 ZINC000490649320 388245878 /nfs/dbraw/zinc/24/58/78/388245878.db2.gz VURITPOMYTWEAO-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](C(=O)N(C)C1(C)CCCC1)C(C)C ZINC000490650789 388246173 /nfs/dbraw/zinc/24/61/73/388246173.db2.gz BTGDLXLRVCTFDE-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C(=O)N(C)C1(C)CCCC1)C(C)C ZINC000490650791 388245951 /nfs/dbraw/zinc/24/59/51/388245951.db2.gz BTGDLXLRVCTFDE-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN CN(C(=O)C1=CCCCCC1)C1(C)CCCC1 ZINC000490652155 388246175 /nfs/dbraw/zinc/24/61/75/388246175.db2.gz JGXGYHGOQYHGBZ-UHFFFAOYSA-N 0 0 235.371 3.668 20 0 BHADRN CC1(CNC(=O)C2CCC(C)(C)CC2)CCC1 ZINC000490653520 388245734 /nfs/dbraw/zinc/24/57/34/388245734.db2.gz KOYRYCPLFSITGW-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CN(C(=O)[C@H]1CC12CCCCC2)C1(C)CCCC1 ZINC000490653655 388245546 /nfs/dbraw/zinc/24/55/46/388245546.db2.gz FHLVVBZHASFSHV-CYBMUJFWSA-N 0 0 249.398 3.748 20 0 BHADRN CN(C(=O)[C@@H]1CC12CCCCC2)C1(C)CCCC1 ZINC000490653671 388245588 /nfs/dbraw/zinc/24/55/88/388245588.db2.gz FHLVVBZHASFSHV-ZDUSSCGKSA-N 0 0 249.398 3.748 20 0 BHADRN CCC[C@@H](C)CC(=O)N(C)C1(C)CCCC1 ZINC000490653993 388245931 /nfs/dbraw/zinc/24/59/31/388245931.db2.gz FUQANGDUOMVIHJ-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCC[C@H](C)CC(=O)N(C)C1(C)CCCC1 ZINC000490653995 388245891 /nfs/dbraw/zinc/24/58/91/388245891.db2.gz FUQANGDUOMVIHJ-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCc1cc(C)c(C(=O)N(C)C2(C)CCCC2)o1 ZINC000490655014 388245694 /nfs/dbraw/zinc/24/56/94/388245694.db2.gz NEMPGJXUQZJVQF-UHFFFAOYSA-N 0 0 249.354 3.555 20 0 BHADRN CCc1ccccc1C(=O)N(C)C1(C)CCCC1 ZINC000490655286 388246154 /nfs/dbraw/zinc/24/61/54/388246154.db2.gz IJJRJDXZZSZJQQ-UHFFFAOYSA-N 0 0 245.366 3.654 20 0 BHADRN C[C@@H]1CC[C@@H](CC(=O)N(C)C2(C)CCCC2)C1 ZINC000490655666 388246061 /nfs/dbraw/zinc/24/60/61/388246061.db2.gz OMSWMEVBZWIKDB-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CC[C@H](CC(=O)N(C)C2(C)CCCC2)C1 ZINC000490655668 534230600 /nfs/dbraw/zinc/23/06/00/534230600.db2.gz OMSWMEVBZWIKDB-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CC[C@@H](CC(=O)N(C)C2(C)CCCC2)C1 ZINC000490655669 533685345 /nfs/dbraw/zinc/68/53/45/533685345.db2.gz OMSWMEVBZWIKDB-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CC[C@H](CC(=O)N(C)C2(C)CCCC2)C1 ZINC000490655670 388245755 /nfs/dbraw/zinc/24/57/55/388245755.db2.gz OMSWMEVBZWIKDB-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CCC(C)(C)CC(=O)N(C)C1(C)CCCC1 ZINC000490657449 528492126 /nfs/dbraw/zinc/49/21/26/528492126.db2.gz RTFUHGVCQSISBI-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1cccc(C(=O)N(C)C2(C)CCCC2)c1F ZINC000490657789 388246692 /nfs/dbraw/zinc/24/66/92/388246692.db2.gz SOWCBYAFVAEYKI-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN CCCC(=O)Nc1ccc(Cl)c2ccncc12 ZINC000490658123 527962551 /nfs/dbraw/zinc/96/25/51/527962551.db2.gz PDRHIPREKSNZLD-UHFFFAOYSA-N 0 0 248.713 3.627 20 0 BHADRN CN(C(=O)CCCC(C)(C)C)C1(C)CCCC1 ZINC000490658739 388246371 /nfs/dbraw/zinc/24/63/71/388246371.db2.gz WWNWMZHILYPIAN-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CN(C(=O)C[C@@H]1C=CCCC1)C1(C)CCCC1 ZINC000490660137 388246732 /nfs/dbraw/zinc/24/67/32/388246732.db2.gz UTASEKMAWKYHQH-CYBMUJFWSA-N 0 0 235.371 3.524 20 0 BHADRN CN(C(=O)C[C@H]1C=CCCC1)C1(C)CCCC1 ZINC000490660139 388246729 /nfs/dbraw/zinc/24/67/29/388246729.db2.gz UTASEKMAWKYHQH-ZDUSSCGKSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)N(C)C1(C)CCCC1 ZINC000490661426 388246751 /nfs/dbraw/zinc/24/67/51/388246751.db2.gz ZHIMCEIBADYXTP-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)N(C)C1(C)CCCC1 ZINC000490661427 533885184 /nfs/dbraw/zinc/88/51/84/533885184.db2.gz ZHIMCEIBADYXTP-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@@H]1CC(=O)N(C)C1(C)CCCC1 ZINC000490661428 388246491 /nfs/dbraw/zinc/24/64/91/388246491.db2.gz ZHIMCEIBADYXTP-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@H]1CC(=O)N(C)C1(C)CCCC1 ZINC000490661429 225531272 /nfs/dbraw/zinc/53/12/72/225531272.db2.gz ZHIMCEIBADYXTP-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN Cc1cncc(NC(=O)C2CCC(C)(C)CC2)c1 ZINC000490666056 225531788 /nfs/dbraw/zinc/53/17/88/225531788.db2.gz APZOLGOXYLIPID-UHFFFAOYSA-N 0 0 246.354 3.545 20 0 BHADRN CCc1oc(C(=O)N(C)C2(C)CCCC2)cc1C ZINC000490667174 388246792 /nfs/dbraw/zinc/24/67/92/388246792.db2.gz DDTYPKAHFGCUHD-UHFFFAOYSA-N 0 0 249.354 3.555 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccccc1OCCC ZINC000490667214 388246860 /nfs/dbraw/zinc/24/68/60/388246860.db2.gz PRYDYVJQTKZVBV-FPFHCWEWSA-N 0 0 245.322 3.546 20 0 BHADRN Cc1ccc(C)c(C(=O)N(C)C2(C)CCCC2)c1 ZINC000490667461 388246477 /nfs/dbraw/zinc/24/64/77/388246477.db2.gz DSEMVYUNYLNMNU-UHFFFAOYSA-N 0 0 245.366 3.708 20 0 BHADRN CN(C(=O)CC1CCCCC1)C1(C)CCCC1 ZINC000490677904 229183442 /nfs/dbraw/zinc/18/34/42/229183442.db2.gz OXRVRJPPAFNMQZ-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CCC(CC)CC(=O)N(C)C1(C)CCCC1 ZINC000490680237 388247153 /nfs/dbraw/zinc/24/71/53/388247153.db2.gz RJZBRIIKTNXKQI-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1cc(C)cc(C(=O)N(C)C2(C)CCCC2)c1 ZINC000490682869 229184679 /nfs/dbraw/zinc/18/46/79/229184679.db2.gz RXYXJYGPTDZBFM-UHFFFAOYSA-N 0 0 245.366 3.708 20 0 BHADRN CCc1ccc(C(=O)N(C)C2(C)CCCC2)cc1 ZINC000490685204 529592439 /nfs/dbraw/zinc/59/24/39/529592439.db2.gz ZVKNPEWNOSFKBX-UHFFFAOYSA-N 0 0 245.366 3.654 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N(C)C1(C)CCCC1 ZINC000490685567 533714893 /nfs/dbraw/zinc/71/48/93/533714893.db2.gz BHPIKSOXFSCJND-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N(C)C1(C)CCCC1 ZINC000490685568 533461552 /nfs/dbraw/zinc/46/15/52/533461552.db2.gz BHPIKSOXFSCJND-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1cc(C(=O)N(C)C2(C)CCCC2)ccc1F ZINC000490686755 229184616 /nfs/dbraw/zinc/18/46/16/229184616.db2.gz HBAZPEWVLRTFHD-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN Cc1cccc(O)c1NC(=O)C[C@@H](C)C(C)(C)C ZINC000490693800 388248003 /nfs/dbraw/zinc/24/80/03/388248003.db2.gz OPCGKQBYAAQZNP-LLVKDONJSA-N 0 0 249.354 3.711 20 0 BHADRN Cc1cccc(O)c1NC(=O)C[C@H](C)C(C)(C)C ZINC000490693801 388248023 /nfs/dbraw/zinc/24/80/23/388248023.db2.gz OPCGKQBYAAQZNP-NSHDSACASA-N 0 0 249.354 3.711 20 0 BHADRN CCCC(C)(C)CC(=O)N(C)C1(C)CCCC1 ZINC000490700557 398027686 /nfs/dbraw/zinc/02/76/86/398027686.db2.gz CVIGEXXKFBEUNC-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN Cc1cccc(C(=O)N(C)C2(C)CCCC2)c1C ZINC000490703107 534583833 /nfs/dbraw/zinc/58/38/33/534583833.db2.gz HTIANROBOXCPLK-UHFFFAOYSA-N 0 0 245.366 3.708 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000490704342 397764438 /nfs/dbraw/zinc/76/44/38/397764438.db2.gz XCZLIJCTRNFBLQ-ICWBMWKASA-N 0 0 240.306 3.547 20 0 BHADRN Cc1ccc(C(=O)N(C)C2(C)CCCC2)c(C)c1 ZINC000490707929 388248751 /nfs/dbraw/zinc/24/87/51/388248751.db2.gz GQKCPCMVCKITRR-UHFFFAOYSA-N 0 0 245.366 3.708 20 0 BHADRN Cc1cc(F)cc(C(=O)N(C)C2(C)CCCC2)c1 ZINC000490709714 225538439 /nfs/dbraw/zinc/53/84/39/225538439.db2.gz KIHPQEHUFWRRBM-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N(C)C2(C)CCCC2)C1 ZINC000490713961 388249045 /nfs/dbraw/zinc/24/90/45/388249045.db2.gz TUUXYQWZKVQGNO-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N(C)C2(C)CCCC2)C1 ZINC000490713962 388248815 /nfs/dbraw/zinc/24/88/15/388248815.db2.gz TUUXYQWZKVQGNO-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@@H](C(=O)N(C)C2(C)CCCC2)C1 ZINC000490713963 388248671 /nfs/dbraw/zinc/24/86/71/388248671.db2.gz TUUXYQWZKVQGNO-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCC[C@H](C(=O)N(C)C2(C)CCCC2)C1 ZINC000490713964 388248817 /nfs/dbraw/zinc/24/88/17/388248817.db2.gz TUUXYQWZKVQGNO-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc(F)c(C(=O)N(C)C2(C)CCCC2)c1 ZINC000490716606 388249259 /nfs/dbraw/zinc/24/92/59/388249259.db2.gz ZEPCGCPWWZZLLM-UHFFFAOYSA-N 0 0 249.329 3.539 20 0 BHADRN CC(C)OC(=O)C(C)(C)c1ccccc1Cl ZINC000490716901 388249951 /nfs/dbraw/zinc/24/99/51/388249951.db2.gz CFNSEQKWBVXSDP-UHFFFAOYSA-N 0 0 240.730 3.569 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)OC(C)C ZINC000490723570 388250320 /nfs/dbraw/zinc/25/03/20/388250320.db2.gz VUKGIXMHYMWLEN-GFCCVEGCSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)OC(C)C ZINC000490723577 388250768 /nfs/dbraw/zinc/25/07/68/388250768.db2.gz VUKGIXMHYMWLEN-LBPRGKRZSA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)OC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000490723830 527769869 /nfs/dbraw/zinc/76/98/69/527769869.db2.gz XEBKIINXOBIPDT-UHFFFAOYSA-N 0 0 240.730 3.569 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)Nc1c(C)cccc1O ZINC000490743703 388252636 /nfs/dbraw/zinc/25/26/36/388252636.db2.gz GFSLAUWKSLCHIT-LLVKDONJSA-N 0 0 249.354 3.711 20 0 BHADRN CCC(CC)[C@H](C)C(=O)Nc1c(C)cccc1O ZINC000490743704 388253034 /nfs/dbraw/zinc/25/30/34/388253034.db2.gz GFSLAUWKSLCHIT-NSHDSACASA-N 0 0 249.354 3.711 20 0 BHADRN CCC(CC)(C(=O)OC(C)C)c1ccccc1 ZINC000490747929 388252713 /nfs/dbraw/zinc/25/27/13/388252713.db2.gz VIRXLEZNJSKPJG-UHFFFAOYSA-N 0 0 234.339 3.696 20 0 BHADRN CC(C)OC(=O)c1occc1-c1ccc(F)cc1 ZINC000490748783 388252751 /nfs/dbraw/zinc/25/27/51/388252751.db2.gz XMRBNZNIBNTPKT-UHFFFAOYSA-N 0 0 248.253 3.651 20 0 BHADRN CC(C)C[C@H](C(=O)OC(C)C)c1ccccc1 ZINC000490748791 388252978 /nfs/dbraw/zinc/25/29/78/388252978.db2.gz ZTMKMEYHDAFKMP-AWEZNQCLSA-N 0 0 234.339 3.768 20 0 BHADRN CC(C)C[C@@H](C(=O)OC(C)C)c1ccccc1 ZINC000490748795 388253039 /nfs/dbraw/zinc/25/30/39/388253039.db2.gz ZTMKMEYHDAFKMP-CQSZACIVSA-N 0 0 234.339 3.768 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@H]1c1cccs1 ZINC000490761093 388252960 /nfs/dbraw/zinc/25/29/60/388252960.db2.gz BDJWXCSLNVJMBR-LODJDIHYSA-N 0 0 247.363 3.544 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@@H]1c1cccs1 ZINC000490761094 388252403 /nfs/dbraw/zinc/25/24/03/388252403.db2.gz BDJWXCSLNVJMBR-REOFCOMCSA-N 0 0 247.363 3.544 20 0 BHADRN C/C=C/C=C\C(=O)N(Cc1ccccc1)C(C)C ZINC000490788461 388254230 /nfs/dbraw/zinc/25/42/30/388254230.db2.gz GULDBSPIQAYCIL-MDFVMQOBSA-N 0 0 243.350 3.556 20 0 BHADRN C/C=C/C=C/C(=O)N(Cc1ccccc1)C(C)C ZINC000490788462 388254078 /nfs/dbraw/zinc/25/40/78/388254078.db2.gz GULDBSPIQAYCIL-RKEQOFPCSA-N 0 0 243.350 3.556 20 0 BHADRN CCCC1(C(=O)N(CC)C[C@H](C)CC)CCC1 ZINC000490854717 398028920 /nfs/dbraw/zinc/02/89/20/398028920.db2.gz VNHOENFSKFTTNI-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC1(C(=O)N(CC)C[C@@H](C)CC)CCC1 ZINC000490854754 398028837 /nfs/dbraw/zinc/02/88/37/398028837.db2.gz VNHOENFSKFTTNI-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CCc1ccccc1C(=O)N(CC)C[C@H](C)CC ZINC000490867908 388257386 /nfs/dbraw/zinc/25/73/86/388257386.db2.gz BWLXKFRPVJJUEV-CYBMUJFWSA-N 0 0 247.382 3.757 20 0 BHADRN CCc1ccccc1C(=O)N(CC)C[C@@H](C)CC ZINC000490867909 529564305 /nfs/dbraw/zinc/56/43/05/529564305.db2.gz BWLXKFRPVJJUEV-ZDUSSCGKSA-N 0 0 247.382 3.757 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)[C@H](C)C(C)(C)C ZINC000490868571 388257519 /nfs/dbraw/zinc/25/75/19/388257519.db2.gz CWJOTLAGXPQYSG-NEPJUHHUSA-N 0 0 227.392 3.563 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)[C@@H](C)C(C)(C)C ZINC000490868580 388257248 /nfs/dbraw/zinc/25/72/48/388257248.db2.gz CWJOTLAGXPQYSG-NWDGAFQWSA-N 0 0 227.392 3.563 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)[C@H](C)C(C)(C)C ZINC000490868583 388257357 /nfs/dbraw/zinc/25/73/57/388257357.db2.gz CWJOTLAGXPQYSG-RYUDHWBXSA-N 0 0 227.392 3.563 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)[C@@H](C)C(C)(C)C ZINC000490868585 388256999 /nfs/dbraw/zinc/25/69/99/388256999.db2.gz CWJOTLAGXPQYSG-VXGBXAGGSA-N 0 0 227.392 3.563 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)C(C)(C)CC(C)C ZINC000490871070 388257496 /nfs/dbraw/zinc/25/74/96/388257496.db2.gz AEWWIEVQPDNKBN-CYBMUJFWSA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)C(C)(C)CC(C)C ZINC000490871072 388257196 /nfs/dbraw/zinc/25/71/96/388257196.db2.gz AEWWIEVQPDNKBN-ZDUSSCGKSA-N 0 0 241.419 3.953 20 0 BHADRN C[C@H](NC(=O)C(C)(C)C)[C@@H](C)C1CCCCC1 ZINC000490876431 388258345 /nfs/dbraw/zinc/25/83/45/388258345.db2.gz PRXDYMLOGIIAPH-NEPJUHHUSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](NC(=O)C(C)(C)C)[C@H](C)C1CCCCC1 ZINC000490876434 388258329 /nfs/dbraw/zinc/25/83/29/388258329.db2.gz PRXDYMLOGIIAPH-NWDGAFQWSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]([C@H](C)NC(=O)C(C)(C)C)C1CCCCC1 ZINC000490876435 388258171 /nfs/dbraw/zinc/25/81/71/388258171.db2.gz PRXDYMLOGIIAPH-RYUDHWBXSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](NC(=O)C(C)(C)C)[C@@H](C)C1CCCCC1 ZINC000490876437 259507595 /nfs/dbraw/zinc/50/75/95/259507595.db2.gz PRXDYMLOGIIAPH-VXGBXAGGSA-N 0 0 239.403 3.754 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccccc1C(C)C ZINC000490885085 388257877 /nfs/dbraw/zinc/25/78/77/388257877.db2.gz HZFPCLWJBZJJSS-QTJNYWJXSA-N 0 0 229.323 3.881 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](C)c1cc(C)sc1C ZINC000490946950 388261287 /nfs/dbraw/zinc/26/12/87/388261287.db2.gz GFBRTDYAFGXTSR-XPJHWULBSA-N 0 0 249.379 3.674 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000490946964 388261262 /nfs/dbraw/zinc/26/12/62/388261262.db2.gz GFBRTDYAFGXTSR-XSNLPNCASA-N 0 0 249.379 3.674 20 0 BHADRN C/C=C/C=C\C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000490952026 527590914 /nfs/dbraw/zinc/59/09/14/527590914.db2.gz ZQUQCYYGZMYZGJ-KDPCRKOGSA-N 0 0 243.350 3.647 20 0 BHADRN C/C=C/C=C\C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000490952027 527590977 /nfs/dbraw/zinc/59/09/77/527590977.db2.gz ZQUQCYYGZMYZGJ-WGVHHXMVSA-N 0 0 243.350 3.647 20 0 BHADRN CCC(C)(C)CC(=O)N1CCc2cccc(F)c21 ZINC000490985751 528495524 /nfs/dbraw/zinc/49/55/24/528495524.db2.gz GRGNAZSORPSRGI-UHFFFAOYSA-N 0 0 249.329 3.541 20 0 BHADRN COCCCCCN(C)c1cc(C)ccc1C ZINC000491045938 229189698 /nfs/dbraw/zinc/18/96/98/229189698.db2.gz DGJKAVRLBPRYEL-UHFFFAOYSA-N 0 0 235.371 3.556 20 0 BHADRN Cc1cc(C)cc(N(C)CCCOC(C)C)c1 ZINC000491048476 229189588 /nfs/dbraw/zinc/18/95/88/229189588.db2.gz IMVWOXZKUPIFTL-UHFFFAOYSA-N 0 0 235.371 3.555 20 0 BHADRN Cc1ccc(C)c(N(C)CCCOC(C)C)c1 ZINC000491051836 362848231 /nfs/dbraw/zinc/84/82/31/362848231.db2.gz PEDYREBSBGGVNR-UHFFFAOYSA-N 0 0 235.371 3.555 20 0 BHADRN COCCCCCN(C)c1cc(C)cc(C)c1 ZINC000491054359 362848128 /nfs/dbraw/zinc/84/81/28/362848128.db2.gz WFSRCWPPPPHQEM-UHFFFAOYSA-N 0 0 235.371 3.556 20 0 BHADRN CCCN(Cc1cc(F)ccc1C)CC(F)F ZINC000491080158 388268782 /nfs/dbraw/zinc/26/87/82/388268782.db2.gz VAWMHLVSUMTHJT-UHFFFAOYSA-N 0 0 245.288 3.611 20 0 BHADRN CCN(Cc1cc(F)ccc1C)CC(F)(F)F ZINC000491094392 388268794 /nfs/dbraw/zinc/26/87/94/388268794.db2.gz YWMIZQUMBWYMCC-UHFFFAOYSA-N 0 0 249.251 3.518 20 0 BHADRN CCC(CC)CC(=O)N1CCc2cccc(F)c21 ZINC000491098916 388269305 /nfs/dbraw/zinc/26/93/05/388269305.db2.gz DMSLYCLEZFDBJC-UHFFFAOYSA-N 0 0 249.329 3.541 20 0 BHADRN Clc1cccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000491160656 229192343 /nfs/dbraw/zinc/19/23/43/229192343.db2.gz IRJMBHRSGYJEEG-CYBMUJFWSA-N 0 0 235.758 3.572 20 0 BHADRN Clc1cccc(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000491160657 229192304 /nfs/dbraw/zinc/19/23/04/229192304.db2.gz IRJMBHRSGYJEEG-ZDUSSCGKSA-N 0 0 235.758 3.572 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCc2cccc(F)c21 ZINC000491171638 388274577 /nfs/dbraw/zinc/27/45/77/388274577.db2.gz LOIFAHREHBEDQS-LLVKDONJSA-N 0 0 249.329 3.541 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCc2cccc(F)c21 ZINC000491171639 388274217 /nfs/dbraw/zinc/27/42/17/388274217.db2.gz LOIFAHREHBEDQS-NSHDSACASA-N 0 0 249.329 3.541 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@H]1c1ccsc1 ZINC000491223891 527595094 /nfs/dbraw/zinc/59/50/94/527595094.db2.gz KTRQBGKKQZVTQI-XGZIJWKSSA-N 0 0 247.363 3.544 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000491223892 385188863 /nfs/dbraw/zinc/18/88/63/385188863.db2.gz KTRQBGKKQZVTQI-XMDQBQTPSA-N 0 0 247.363 3.544 20 0 BHADRN C/C=C/C=C\C(=O)N(Cc1cccs1)C(C)C ZINC000491239079 527591520 /nfs/dbraw/zinc/59/15/20/527591520.db2.gz ZOTRMSMLLNBZNP-WEHQGULRSA-N 0 0 249.379 3.617 20 0 BHADRN c1cncc(NCc2ccc3c(c2)CCCC3)c1 ZINC000491359140 534509188 /nfs/dbraw/zinc/50/91/88/534509188.db2.gz JLGSTOLURBVNLL-UHFFFAOYSA-N 0 0 238.334 3.573 20 0 BHADRN CC(C)(C)OC(=O)NC(C)(C)c1cccs1 ZINC000491378477 388290534 /nfs/dbraw/zinc/29/05/34/388290534.db2.gz MKSDYSQSBQVUFX-UHFFFAOYSA-N 0 0 241.356 3.508 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cccc(C(F)F)c1 ZINC000491413782 388292892 /nfs/dbraw/zinc/29/28/92/388292892.db2.gz GSHGVUMIOLMPLW-HOJFPOIOSA-N 0 0 237.249 3.695 20 0 BHADRN CCc1cccc(F)c1CNCc1occc1C ZINC000491419279 388293527 /nfs/dbraw/zinc/29/35/27/388293527.db2.gz WTIPRIIBWJARCN-UHFFFAOYSA-N 0 0 247.313 3.579 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cc(F)ccc1Cl ZINC000491466374 527611584 /nfs/dbraw/zinc/61/15/84/527611584.db2.gz WEXZPDILPIIWHD-IAROGAJJSA-N 0 0 239.677 3.550 20 0 BHADRN CCCC[C@H](CC)C(=O)NCCC1CCCC1 ZINC000491552740 528900171 /nfs/dbraw/zinc/90/01/71/528900171.db2.gz PNGBCEAXPBASDJ-AWEZNQCLSA-N 0 0 239.403 3.899 20 0 BHADRN CCCC[C@@H](CC)C(=O)NCCC1CCCC1 ZINC000491552741 388303293 /nfs/dbraw/zinc/30/32/93/388303293.db2.gz PNGBCEAXPBASDJ-CQSZACIVSA-N 0 0 239.403 3.899 20 0 BHADRN Cc1c(NCC(C)C)cccc1-c1ncco1 ZINC000491573016 388304389 /nfs/dbraw/zinc/30/43/89/388304389.db2.gz QALXYMJOHBPNLX-UHFFFAOYSA-N 0 0 230.311 3.718 20 0 BHADRN COc1cc(NCC(C)(C)C)cc2cccnc21 ZINC000491579421 533027449 /nfs/dbraw/zinc/02/74/49/533027449.db2.gz QIKQKWIFWZXSSD-UHFFFAOYSA-N 0 0 244.338 3.701 20 0 BHADRN COc1cc(NC2CCCC2)cc2cccnc21 ZINC000491598239 533025826 /nfs/dbraw/zinc/02/58/26/533025826.db2.gz DRBLSIAKEJEUOV-UHFFFAOYSA-N 0 0 242.322 3.598 20 0 BHADRN Cc1ccccc1NC(=O)/C=C\C(C)(C)C ZINC000491625521 225712200 /nfs/dbraw/zinc/71/22/00/225712200.db2.gz CNKOYQDIGWKAMH-KTKRTIGZSA-N 0 0 217.312 3.536 20 0 BHADRN CCc1ccccc1NC(=O)/C=C\C(C)(C)C ZINC000491642469 398053646 /nfs/dbraw/zinc/05/36/46/398053646.db2.gz MUHZLDBWERUBBO-KHPPLWFESA-N 0 0 231.339 3.790 20 0 BHADRN CC(C)(C)/C=C\C(=O)Nc1ccc(F)cc1F ZINC000491643885 388307542 /nfs/dbraw/zinc/30/75/42/388307542.db2.gz PGIJXQUUOPBFGN-SREVYHEPSA-N 0 0 239.265 3.506 20 0 BHADRN CCOc1ccccc1NC(=O)/C=C\C(C)(C)C ZINC000491644857 528739083 /nfs/dbraw/zinc/73/90/83/528739083.db2.gz QRPFAKKKNGXADC-KHPPLWFESA-N 0 0 247.338 3.626 20 0 BHADRN Cc1ccccc1CN(C)C(=O)/C=C\C(C)(C)C ZINC000491645542 229202259 /nfs/dbraw/zinc/20/22/59/229202259.db2.gz SDWGKZDGMQJKTM-KHPPLWFESA-N 0 0 245.366 3.556 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cccc(CSC)c1 ZINC000491646883 388307756 /nfs/dbraw/zinc/30/77/56/388307756.db2.gz VNTKVBMCWIYRPO-BEHOXYOFSA-N 0 0 247.363 3.620 20 0 BHADRN CC(C)(C)/C=C\C(=O)Nc1cccc2[nH]ccc21 ZINC000491647421 388307929 /nfs/dbraw/zinc/30/79/29/388307929.db2.gz WKZORLQCRFTOFO-CLFYSBASSA-N 0 0 242.322 3.709 20 0 BHADRN C/C(=C/c1ccccc1)CN(C)c1ccccn1 ZINC000491653566 346953070 /nfs/dbraw/zinc/95/30/70/346953070.db2.gz FQCRBAHQWOEKSJ-OWBHPGMISA-N 0 0 238.334 3.621 20 0 BHADRN C/C(=C\c1ccccc1)CN(C)c1ccccn1 ZINC000491653567 346953299 /nfs/dbraw/zinc/95/32/99/346953299.db2.gz FQCRBAHQWOEKSJ-WYMLVPIESA-N 0 0 238.334 3.621 20 0 BHADRN C[C@@H](c1ccccc1)N(C)C(=O)/C=C\C(C)(C)C ZINC000491836556 534095445 /nfs/dbraw/zinc/09/54/45/534095445.db2.gz AQPVJXDQIZRLOU-HHQWOOOKSA-N 0 0 245.366 3.808 20 0 BHADRN C[C@H](c1ccccc1)N(C)C(=O)/C=C\C(C)(C)C ZINC000491836557 388324229 /nfs/dbraw/zinc/32/42/29/388324229.db2.gz AQPVJXDQIZRLOU-YLGBQOPLSA-N 0 0 245.366 3.808 20 0 BHADRN Cc1ccc(CN(C)C(=O)/C=C\C(C)(C)C)cc1 ZINC000491839638 384893857 /nfs/dbraw/zinc/89/38/57/384893857.db2.gz UZONYINODXCVBE-KHPPLWFESA-N 0 0 245.366 3.556 20 0 BHADRN CC(C)(C)/C=C\C(=O)Nc1cccc(F)c1F ZINC000491859788 388325049 /nfs/dbraw/zinc/32/50/49/388325049.db2.gz PHOJUVOHLXZQMC-FPLPWBNLSA-N 0 0 239.265 3.506 20 0 BHADRN Cc1cccc(CN(C)C(=O)/C=C\C(C)(C)C)c1 ZINC000491860545 388324914 /nfs/dbraw/zinc/32/49/14/388324914.db2.gz RZLWEZOIQYPUTK-KTKRTIGZSA-N 0 0 245.366 3.556 20 0 BHADRN CC(C)(C)/C=C/C(=O)N1CC[C@@H]1c1ccccc1 ZINC000491860912 388325010 /nfs/dbraw/zinc/32/50/10/388325010.db2.gz STIJHBKFELILLA-CFRMROPGSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)(C)/C=C\C(=O)N1CC[C@H]1c1ccccc1 ZINC000491860921 388324913 /nfs/dbraw/zinc/32/49/13/388324913.db2.gz STIJHBKFELILLA-FPAJZGIOSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)(C)/C=C/C(=O)N1CC[C@H]1c1ccccc1 ZINC000491860923 388325031 /nfs/dbraw/zinc/32/50/31/388325031.db2.gz STIJHBKFELILLA-MARXPDLDSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)(C)/C=C\C(=O)N1CC[C@@H]1c1ccccc1 ZINC000491860925 527552477 /nfs/dbraw/zinc/55/24/77/527552477.db2.gz STIJHBKFELILLA-RBJHHQRMSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)N(Cc1ccco1)C(=O)/C=C\C(C)(C)C ZINC000491861538 388324825 /nfs/dbraw/zinc/32/48/25/388324825.db2.gz UZONLZKCXZDMEN-HJWRWDBZSA-N 0 0 249.354 3.619 20 0 BHADRN CCCC(C)(C)CC(=O)NC(C)(C)CC ZINC000491884396 527978551 /nfs/dbraw/zinc/97/85/51/527978551.db2.gz ANUDUPPNUQIRAT-UHFFFAOYSA-N 0 0 213.365 3.508 20 0 BHADRN CC(C)c1ccccc1NC(=O)/C=C\C1CC1 ZINC000491903131 388327010 /nfs/dbraw/zinc/32/70/10/388327010.db2.gz HILVOHJCPXRYOH-KTKRTIGZSA-N 0 0 229.323 3.715 20 0 BHADRN Cc1cc(Cl)ccc1NC(=O)/C=C\C1CC1 ZINC000491912724 388327717 /nfs/dbraw/zinc/32/77/17/388327717.db2.gz VSVVSJIDIIQKSL-DAXSKMNVSA-N 0 0 235.714 3.553 20 0 BHADRN CCCc1ccccc1NC(=O)/C=C\C1CC1 ZINC000491914225 385035881 /nfs/dbraw/zinc/03/58/81/385035881.db2.gz LEWLNGYDLOGJHC-KHPPLWFESA-N 0 0 229.323 3.544 20 0 BHADRN CC(C)N(C(=O)/C=C\c1ccsc1)C1CCC1 ZINC000491915262 388327679 /nfs/dbraw/zinc/32/76/79/388327679.db2.gz QWDXPBWCEHDTNJ-SREVYHEPSA-N 0 0 249.379 3.551 20 0 BHADRN O=C(/C=C\C1CC1)Nc1cccc(C(F)F)c1 ZINC000491928095 385049264 /nfs/dbraw/zinc/04/92/64/385049264.db2.gz GJBBWRQTDXKKGQ-SREVYHEPSA-N 0 0 237.249 3.529 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)/C=C\C1CC1 ZINC000491930210 388328406 /nfs/dbraw/zinc/32/84/06/388328406.db2.gz VXZQZCHNLFQSDI-FPLPWBNLSA-N 0 0 235.714 3.553 20 0 BHADRN Cc1cc(C)c(NC(=O)/C=C\C2CC2)c(C)c1 ZINC000491937791 225883171 /nfs/dbraw/zinc/88/31/71/225883171.db2.gz JDOSIPOYRNPYKS-SREVYHEPSA-N 0 0 229.323 3.517 20 0 BHADRN Cc1cc([C@H](C)NC(=O)/C=C\C2CC2)c(C)s1 ZINC000491945777 388329202 /nfs/dbraw/zinc/32/92/02/388329202.db2.gz QFGRSTDQYWPLCR-GFVADAIESA-N 0 0 249.379 3.508 20 0 BHADRN Cc1cc([C@@H](C)NC(=O)/C=C\C2CC2)c(C)s1 ZINC000491945778 388329123 /nfs/dbraw/zinc/32/91/23/388329123.db2.gz QFGRSTDQYWPLCR-JYESYGNLSA-N 0 0 249.379 3.508 20 0 BHADRN CC[C@@H](NC(=O)/C=C/C1CC1)c1ccc(C)cc1 ZINC000491945999 529571574 /nfs/dbraw/zinc/57/15/74/529571574.db2.gz SKHCFAUVDJBULG-KUCQQTCKSA-N 0 0 243.350 3.529 20 0 BHADRN CC[C@@H](NC(=O)/C=C\C1CC1)c1ccc(C)cc1 ZINC000491946000 388329077 /nfs/dbraw/zinc/32/90/77/388329077.db2.gz SKHCFAUVDJBULG-MEODZPNASA-N 0 0 243.350 3.529 20 0 BHADRN CC[C@H](NC(=O)/C=C\C1CC1)c1ccc(C)cc1 ZINC000491946001 388329167 /nfs/dbraw/zinc/32/91/67/388329167.db2.gz SKHCFAUVDJBULG-QIENPNARSA-N 0 0 243.350 3.529 20 0 BHADRN CC[C@H](NC(=O)/C=C/C1CC1)c1ccc(C)cc1 ZINC000491946002 529456321 /nfs/dbraw/zinc/45/63/21/529456321.db2.gz SKHCFAUVDJBULG-SHQCLWGWSA-N 0 0 243.350 3.529 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)/C=C\C1CC1 ZINC000491946762 225888293 /nfs/dbraw/zinc/88/82/93/225888293.db2.gz VXCFKWKJXCKZMP-ALCCZGGFSA-N 0 0 235.714 3.553 20 0 BHADRN Cc1ccc(NC(=O)/C=C\C2CC2)c(Cl)c1 ZINC000491948647 388329136 /nfs/dbraw/zinc/32/91/36/388329136.db2.gz KNTVHFUXNJEBPR-ALCCZGGFSA-N 0 0 235.714 3.553 20 0 BHADRN CCc1cccc(CC)c1NC(=O)/C=C\C1CC1 ZINC000491949113 388329427 /nfs/dbraw/zinc/32/94/27/388329427.db2.gz MXSIFXQWJKJYJM-KHPPLWFESA-N 0 0 243.350 3.716 20 0 BHADRN CCSc1cccc(NC(=O)/C=C\C2CC2)c1 ZINC000491949796 529254415 /nfs/dbraw/zinc/25/44/15/529254415.db2.gz PKMYVADUBFQPEQ-HJWRWDBZSA-N 0 0 247.363 3.703 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cccc(C)c1Cl ZINC000491952498 388329491 /nfs/dbraw/zinc/32/94/91/388329491.db2.gz HMLBALOMMVOULO-BEHOXYOFSA-N 0 0 235.714 3.719 20 0 BHADRN Cc1cccc(NC(=O)/C=C\C2CC2)c1Cl ZINC000491953422 388329322 /nfs/dbraw/zinc/32/93/22/388329322.db2.gz KLMMOROGKPIOEA-FPLPWBNLSA-N 0 0 235.714 3.553 20 0 BHADRN CCC(C)(C)CCSC[C@H]1CCCO1 ZINC000491956749 388329528 /nfs/dbraw/zinc/32/95/28/388329528.db2.gz NHBCGYPBCYGOET-LLVKDONJSA-N 0 0 216.390 3.725 20 0 BHADRN CCC(C)(C)CCSC[C@@H]1CCCO1 ZINC000491956757 388329693 /nfs/dbraw/zinc/32/96/93/388329693.db2.gz NHBCGYPBCYGOET-NSHDSACASA-N 0 0 216.390 3.725 20 0 BHADRN CC(C)(C)/C=C\C(=O)Nc1ccsc1Cl ZINC000491980571 388330600 /nfs/dbraw/zinc/33/06/00/388330600.db2.gz UXQGQQDGALVWRQ-XQRVVYSFSA-N 0 0 243.759 3.942 20 0 BHADRN Cc1ccc(NC(=O)/C=C\C2CCC2)c(C)c1 ZINC000492048688 388332800 /nfs/dbraw/zinc/33/28/00/388332800.db2.gz NEYLYLQRYKXNQN-CLFYSBASSA-N 0 0 229.323 3.598 20 0 BHADRN Cc1ccc(NC(=O)/C=C/C2CCC2)c(C)c1 ZINC000492048689 388332867 /nfs/dbraw/zinc/33/28/67/388332867.db2.gz NEYLYLQRYKXNQN-VQHVLOKHSA-N 0 0 229.323 3.598 20 0 BHADRN CCc1ccccc1NC(=O)/C=C\C1CCC1 ZINC000492050744 529588410 /nfs/dbraw/zinc/58/84/10/529588410.db2.gz QAZNJCZBMBAUDW-KHPPLWFESA-N 0 0 229.323 3.544 20 0 BHADRN CCc1ccccc1NC(=O)/C=C/C1CCC1 ZINC000492050745 388332724 /nfs/dbraw/zinc/33/27/24/388332724.db2.gz QAZNJCZBMBAUDW-ZHACJKMWSA-N 0 0 229.323 3.544 20 0 BHADRN Cc1cccc(NC(=O)/C=C\C2CCC2)c1C ZINC000492051770 388332860 /nfs/dbraw/zinc/33/28/60/388332860.db2.gz SPTPYZUVORLOGC-KTKRTIGZSA-N 0 0 229.323 3.598 20 0 BHADRN Cc1cccc(NC(=O)/C=C/C2CCC2)c1C ZINC000492051773 388332877 /nfs/dbraw/zinc/33/28/77/388332877.db2.gz SPTPYZUVORLOGC-MDZDMXLPSA-N 0 0 229.323 3.598 20 0 BHADRN C[C@H](c1cccs1)N(C)C(=O)/C=C/C1CCC1 ZINC000492064878 225920239 /nfs/dbraw/zinc/92/02/39/225920239.db2.gz DBCYOXNOOPYKEW-ANYFNZRUSA-N 0 0 249.379 3.624 20 0 BHADRN C[C@@H](c1cccs1)N(C)C(=O)/C=C/C1CCC1 ZINC000492064879 388333424 /nfs/dbraw/zinc/33/34/24/388333424.db2.gz DBCYOXNOOPYKEW-FBOQAHMBSA-N 0 0 249.379 3.624 20 0 BHADRN C[C@@H](c1cccs1)N(C)C(=O)/C=C\C1CCC1 ZINC000492064880 225920579 /nfs/dbraw/zinc/92/05/79/225920579.db2.gz DBCYOXNOOPYKEW-IQQGHNRFSA-N 0 0 249.379 3.624 20 0 BHADRN C[C@H](c1cccs1)N(C)C(=O)/C=C\C1CCC1 ZINC000492064881 388333367 /nfs/dbraw/zinc/33/33/67/388333367.db2.gz DBCYOXNOOPYKEW-TYBABMIJSA-N 0 0 249.379 3.624 20 0 BHADRN CSc1ccccc1NC(=O)/C=C\C1CCC1 ZINC000492072328 388333819 /nfs/dbraw/zinc/33/38/19/388333819.db2.gz RVJSTSKXZMJRBM-KTKRTIGZSA-N 0 0 247.363 3.703 20 0 BHADRN CSc1ccccc1NC(=O)/C=C/C1CCC1 ZINC000492072329 388333912 /nfs/dbraw/zinc/33/39/12/388333912.db2.gz RVJSTSKXZMJRBM-MDZDMXLPSA-N 0 0 247.363 3.703 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)/C=C/C1CCC1 ZINC000492075045 534729058 /nfs/dbraw/zinc/72/90/58/534729058.db2.gz ZSAIINNCCCKIRJ-CMDGGOBGSA-N 0 0 249.741 3.943 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)/C=C\C1CCC1 ZINC000492075046 388333770 /nfs/dbraw/zinc/33/37/70/388333770.db2.gz ZSAIINNCCCKIRJ-HJWRWDBZSA-N 0 0 249.741 3.943 20 0 BHADRN C[C@@H](c1ccccc1)N(C)C(=O)/C=C\C1CCC1 ZINC000492079673 385225579 /nfs/dbraw/zinc/22/55/79/385225579.db2.gz BWPNYZUTBPEZHV-HHQWOOOKSA-N 0 0 243.350 3.562 20 0 BHADRN C[C@H](c1ccccc1)N(C)C(=O)/C=C/C1CCC1 ZINC000492079674 385227717 /nfs/dbraw/zinc/22/77/17/385227717.db2.gz BWPNYZUTBPEZHV-XZHRJIJLSA-N 0 0 243.350 3.562 20 0 BHADRN C[C@H](c1ccccc1)N(C)C(=O)/C=C\C1CCC1 ZINC000492079677 385229144 /nfs/dbraw/zinc/22/91/44/385229144.db2.gz BWPNYZUTBPEZHV-YLGBQOPLSA-N 0 0 243.350 3.562 20 0 BHADRN C[C@@H](c1ccccc1)N(C)C(=O)/C=C/C1CCC1 ZINC000492079679 534093685 /nfs/dbraw/zinc/09/36/85/534093685.db2.gz BWPNYZUTBPEZHV-YLSINNKHSA-N 0 0 243.350 3.562 20 0 BHADRN CCc1cccc(C)c1NC(=O)/C=C\C1CCC1 ZINC000492080171 388334092 /nfs/dbraw/zinc/33/40/92/388334092.db2.gz CNHUPMGMSUZVRE-KHPPLWFESA-N 0 0 243.350 3.852 20 0 BHADRN CCc1cccc(C)c1NC(=O)/C=C/C1CCC1 ZINC000492080173 388333954 /nfs/dbraw/zinc/33/39/54/388333954.db2.gz CNHUPMGMSUZVRE-ZHACJKMWSA-N 0 0 243.350 3.852 20 0 BHADRN Cc1cc(C)c(NC(=O)/C=C/C2CCC2)c(C)c1 ZINC000492081851 385229536 /nfs/dbraw/zinc/22/95/36/385229536.db2.gz GCPQQDYPENVYHV-BQYQJAHWSA-N 0 0 243.350 3.907 20 0 BHADRN Cc1cc(C)c(NC(=O)/C=C\C2CCC2)c(C)c1 ZINC000492081891 385227841 /nfs/dbraw/zinc/22/78/41/385227841.db2.gz GCPQQDYPENVYHV-FPLPWBNLSA-N 0 0 243.350 3.907 20 0 BHADRN C/C=C/C=C\C(=O)Nc1c(C)cccc1Cl ZINC000492082060 388334098 /nfs/dbraw/zinc/33/40/98/388334098.db2.gz HZZISYIWLBYIRU-BEHOXYOFSA-N 0 0 235.714 3.719 20 0 BHADRN Cc1ccc(C)c(NC(=O)/C=C/C2CCC2)c1 ZINC000492082355 385231017 /nfs/dbraw/zinc/23/10/17/385231017.db2.gz HDGJCTWRFGYYKD-CMDGGOBGSA-N 0 0 229.323 3.598 20 0 BHADRN Cc1ccc(C)c(NC(=O)/C=C\C2CCC2)c1 ZINC000492082357 533676361 /nfs/dbraw/zinc/67/63/61/533676361.db2.gz HDGJCTWRFGYYKD-HJWRWDBZSA-N 0 0 229.323 3.598 20 0 BHADRN Cc1cccc(C)c1NC(=O)/C=C\C1CCC1 ZINC000492087736 388334164 /nfs/dbraw/zinc/33/41/64/388334164.db2.gz NQBWOBFQETYCDW-KTKRTIGZSA-N 0 0 229.323 3.598 20 0 BHADRN Cc1cccc(C)c1NC(=O)/C=C/C1CCC1 ZINC000492087737 388334372 /nfs/dbraw/zinc/33/43/72/388334372.db2.gz NQBWOBFQETYCDW-MDZDMXLPSA-N 0 0 229.323 3.598 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)/C=C\C1CC1 ZINC000492089578 388334552 /nfs/dbraw/zinc/33/45/52/388334552.db2.gz OSFRCXARPZYNFM-FPLPWBNLSA-N 0 0 235.714 3.553 20 0 BHADRN O=C(/C=C/C1CCC1)Nc1ccccc1Cl ZINC000492095751 224667508 /nfs/dbraw/zinc/66/75/08/224667508.db2.gz NCMUYOYBGNXVMJ-CMDGGOBGSA-N 0 0 235.714 3.635 20 0 BHADRN O=C(/C=C\C1CCC1)Nc1ccccc1Cl ZINC000492095753 385244231 /nfs/dbraw/zinc/24/42/31/385244231.db2.gz NCMUYOYBGNXVMJ-HJWRWDBZSA-N 0 0 235.714 3.635 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1ccccc1OC)CC ZINC000492112093 388335515 /nfs/dbraw/zinc/33/55/15/388335515.db2.gz NBVFLRBGBHXULU-JVAIOLIJSA-N 0 0 245.322 3.546 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1ccccc1OC)CC ZINC000492112095 388335529 /nfs/dbraw/zinc/33/55/29/388335529.db2.gz NBVFLRBGBHXULU-QNKFPFBSSA-N 0 0 245.322 3.546 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1ccccc1C)CC ZINC000492114340 388335446 /nfs/dbraw/zinc/33/54/46/388335446.db2.gz QOOMOJXXFXHGLY-ABDBBEBTSA-N 0 0 229.323 3.846 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1ccccc1C)CC ZINC000492114345 388335478 /nfs/dbraw/zinc/33/54/78/388335478.db2.gz QOOMOJXXFXHGLY-GRDXPDJJSA-N 0 0 229.323 3.846 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1ccc(C)nc1C)CC ZINC000492114536 388335460 /nfs/dbraw/zinc/33/54/60/388335460.db2.gz AVLBTXWAIZGPDH-CKRZAMJHSA-N 0 0 244.338 3.549 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1ccc(C)nc1C)CC ZINC000492114537 388335358 /nfs/dbraw/zinc/33/53/58/388335358.db2.gz AVLBTXWAIZGPDH-KEIICBDLSA-N 0 0 244.338 3.549 20 0 BHADRN C/C=C(/C=C/C(=O)N(C)Cc1cccs1)CC ZINC000492114750 388335424 /nfs/dbraw/zinc/33/54/24/388335424.db2.gz RUYPECTUCJOGDD-CCQIVWFRSA-N 0 0 249.379 3.619 20 0 BHADRN C/C=C(/C=C\C(=O)N(C)Cc1cccs1)CC ZINC000492114753 388335408 /nfs/dbraw/zinc/33/54/08/388335408.db2.gz RUYPECTUCJOGDD-FIYMPXMFSA-N 0 0 249.379 3.619 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)/C=C\C2CC2)c1 ZINC000492153994 388336599 /nfs/dbraw/zinc/33/65/99/388336599.db2.gz FVQPBUSFLIAMQN-ALCCZGGFSA-N 0 0 235.714 3.553 20 0 BHADRN C/C=C(/C=C\C(=O)N(C)Cc1ccccc1)CC ZINC000492156594 388336844 /nfs/dbraw/zinc/33/68/44/388336844.db2.gz JTAWAACYRPVPKC-DVRGKXNHSA-N 0 0 243.350 3.558 20 0 BHADRN C/C=C(/C=C/C(=O)N(C)Cc1ccccc1)CC ZINC000492156595 388336780 /nfs/dbraw/zinc/33/67/80/388336780.db2.gz JTAWAACYRPVPKC-KCSQPJHESA-N 0 0 243.350 3.558 20 0 BHADRN C/C=C(/C=C/C(=O)NCc1sccc1C)CC ZINC000492156966 388336738 /nfs/dbraw/zinc/33/67/38/388336738.db2.gz RCKYNFMLQCHYAE-GJQNCLFESA-N 0 0 249.379 3.585 20 0 BHADRN C/C=C(/C=C\C(=O)NCc1sccc1C)CC ZINC000492156967 388336948 /nfs/dbraw/zinc/33/69/48/388336948.db2.gz RCKYNFMLQCHYAE-WLWVQNKQSA-N 0 0 249.379 3.585 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1ccsc1)CC ZINC000492157301 388336929 /nfs/dbraw/zinc/33/69/29/388336929.db2.gz SCNQPNBNPLZBCM-VMTDUWPYSA-N 0 0 221.325 3.599 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1ccsc1)CC ZINC000492157302 388336856 /nfs/dbraw/zinc/33/68/56/388336856.db2.gz SCNQPNBNPLZBCM-YXGJEIQZSA-N 0 0 221.325 3.599 20 0 BHADRN C/C=C(/C=C\C(=O)N(C)[C@H](C)c1ccco1)CC ZINC000492158188 388336957 /nfs/dbraw/zinc/33/69/57/388336957.db2.gz MQJKMWQFOSNCBE-DKZPGDHTSA-N 0 0 247.338 3.712 20 0 BHADRN C/C=C(/C=C\C(=O)N(C)[C@@H](C)c1ccco1)CC ZINC000492158189 388336744 /nfs/dbraw/zinc/33/67/44/388336744.db2.gz MQJKMWQFOSNCBE-MYTSGFDJSA-N 0 0 247.338 3.712 20 0 BHADRN C/C=C(/C=C/C(=O)N(C)[C@H](C)c1ccco1)CC ZINC000492158190 385277376 /nfs/dbraw/zinc/27/73/76/385277376.db2.gz MQJKMWQFOSNCBE-ORPJOHFUSA-N 0 0 247.338 3.712 20 0 BHADRN C/C=C(/C=C/C(=O)N(C)[C@@H](C)c1ccco1)CC ZINC000492158191 385277935 /nfs/dbraw/zinc/27/79/35/385277935.db2.gz MQJKMWQFOSNCBE-WPJYTKHWSA-N 0 0 247.338 3.712 20 0 BHADRN C/C=C(/C=C\C(=O)NCc1ccc(C)s1)CC ZINC000492168465 388337359 /nfs/dbraw/zinc/33/73/59/388337359.db2.gz JTRDVIWAAFVBEX-AYMHWXCPSA-N 0 0 249.379 3.585 20 0 BHADRN C/C=C(/C=C/C(=O)NCc1ccc(C)s1)CC ZINC000492168466 527553029 /nfs/dbraw/zinc/55/30/29/527553029.db2.gz JTRDVIWAAFVBEX-ZMYUOXORSA-N 0 0 249.379 3.585 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cc(C)ccc1Cl ZINC000492170910 388337216 /nfs/dbraw/zinc/33/72/16/388337216.db2.gz ZSPFJRVUWBNWRC-ICWBMWKASA-N 0 0 235.714 3.719 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1ccccc1F)CC ZINC000492171318 388337208 /nfs/dbraw/zinc/33/72/08/388337208.db2.gz RQMVREMGRJUMPV-MSRQTSMUSA-N 0 0 233.286 3.677 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1ccccc1F)CC ZINC000492171319 388337322 /nfs/dbraw/zinc/33/73/22/388337322.db2.gz RQMVREMGRJUMPV-VVVHQUFHSA-N 0 0 233.286 3.677 20 0 BHADRN Cc1ccc(F)cc1CSC[C@@H]1CCCO1 ZINC000492177595 388337504 /nfs/dbraw/zinc/33/75/04/388337504.db2.gz ZZYXEQHZDLIDIF-ZDUSSCGKSA-N 0 0 240.343 3.546 20 0 BHADRN Cc1ccc(/C=C\C(=O)Nc2cscc2C)o1 ZINC000492183306 388337513 /nfs/dbraw/zinc/33/75/13/388337513.db2.gz FJHBOTMGEBSPMT-WAYWQWQTSA-N 0 0 247.319 3.610 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1ccc(O)c(C)c1)CC ZINC000492185777 388337798 /nfs/dbraw/zinc/33/77/98/388337798.db2.gz WIBOYIIMBICEFU-IKQKLUSLSA-N 0 0 245.322 3.552 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1ccc(O)c(C)c1)CC ZINC000492185779 385300574 /nfs/dbraw/zinc/30/05/74/385300574.db2.gz WIBOYIIMBICEFU-IXOOULEFSA-N 0 0 245.322 3.552 20 0 BHADRN CC(C)c1cccnc1NC(=O)/C=C/C(C)(C)C ZINC000492189397 388337864 /nfs/dbraw/zinc/33/78/64/388337864.db2.gz IGMWCVCRWOCMDL-CMDGGOBGSA-N 0 0 246.354 3.746 20 0 BHADRN CC(C)c1cccnc1NC(=O)/C=C\C(C)(C)C ZINC000492189398 388337656 /nfs/dbraw/zinc/33/76/56/388337656.db2.gz IGMWCVCRWOCMDL-HJWRWDBZSA-N 0 0 246.354 3.746 20 0 BHADRN Cc1cscc1NC(=O)/C=C\c1ccsc1 ZINC000492203046 224670253 /nfs/dbraw/zinc/67/02/53/224670253.db2.gz ACIXCAGHHVHPLL-IHWYPQMZSA-N 0 0 249.360 3.770 20 0 BHADRN Cc1cscc1NC(=O)/C=C/c1ccsc1 ZINC000492203047 385307881 /nfs/dbraw/zinc/30/78/81/385307881.db2.gz ACIXCAGHHVHPLL-NSCUHMNNSA-N 0 0 249.360 3.770 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1ccc(C)c(O)c1)CC ZINC000492203114 388338053 /nfs/dbraw/zinc/33/80/53/388338053.db2.gz AYZYVOLZYFICMK-AYMHWXCPSA-N 0 0 245.322 3.552 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1ccc(C)c(O)c1)CC ZINC000492203115 388337915 /nfs/dbraw/zinc/33/79/15/388337915.db2.gz AYZYVOLZYFICMK-ZMYUOXORSA-N 0 0 245.322 3.552 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1cscc1C)CC ZINC000492203474 388338370 /nfs/dbraw/zinc/33/83/70/388338370.db2.gz CTGMYPKOOAPTST-BJNIYONUSA-N 0 0 235.352 3.908 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1cscc1C)CC ZINC000492203475 527556722 /nfs/dbraw/zinc/55/67/22/527556722.db2.gz CTGMYPKOOAPTST-HNGDNPSASA-N 0 0 235.352 3.908 20 0 BHADRN Cc1cscc1NC(=O)/C=C\c1ccccc1 ZINC000492220454 388338557 /nfs/dbraw/zinc/33/85/57/388338557.db2.gz CAYBAMXACPGOHS-FPLPWBNLSA-N 0 0 243.331 3.708 20 0 BHADRN CC(C)c1cccc(NC(=O)CC2CC2)c1 ZINC000492235644 388338959 /nfs/dbraw/zinc/33/89/59/388338959.db2.gz SOHZZAYVGFZQAY-UHFFFAOYSA-N 0 0 217.312 3.549 20 0 BHADRN Cc1cscc1NC(=O)/C=C\C(C)(C)C ZINC000492239813 388339110 /nfs/dbraw/zinc/33/91/10/388339110.db2.gz QOEFHMIYDCIHMG-WAYWQWQTSA-N 0 0 223.341 3.597 20 0 BHADRN CCc1ccccc1CSC[C@@H]1CCCO1 ZINC000492288125 388340326 /nfs/dbraw/zinc/34/03/26/388340326.db2.gz BNKWKWDPFMQAOF-AWEZNQCLSA-N 0 0 236.380 3.661 20 0 BHADRN CCc1ccccc1CSC[C@H]1CCCO1 ZINC000492288126 529585629 /nfs/dbraw/zinc/58/56/29/529585629.db2.gz BNKWKWDPFMQAOF-CQSZACIVSA-N 0 0 236.380 3.661 20 0 BHADRN CCC[C@@H](C)CC(=O)NCC1CCCCC1 ZINC000492292226 388340752 /nfs/dbraw/zinc/34/07/52/388340752.db2.gz VUKNDGGJWAUIHV-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCC[C@H](C)CC(=O)NCC1CCCCC1 ZINC000492292227 388340777 /nfs/dbraw/zinc/34/07/77/388340777.db2.gz VUKNDGGJWAUIHV-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CSc1cccc(NC(=O)/C=C\C2CC2)c1C ZINC000492320672 388341504 /nfs/dbraw/zinc/34/15/04/388341504.db2.gz IUPJRHQSQQUONI-HJWRWDBZSA-N 0 0 247.363 3.622 20 0 BHADRN CSc1ccc(C)c(NC(=O)/C=C\C2CC2)c1 ZINC000492346918 388342246 /nfs/dbraw/zinc/34/22/46/388342246.db2.gz VXXYJOFHAHOGMJ-VURMDHGXSA-N 0 0 247.363 3.622 20 0 BHADRN Cc1cccc(F)c1NC(=O)/C=C\C(C)(C)C ZINC000492352418 388342465 /nfs/dbraw/zinc/34/24/65/388342465.db2.gz WQENEQPSXFWRDH-HJWRWDBZSA-N 0 0 235.302 3.675 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1c(C)cccc1O)CC ZINC000492355325 388342287 /nfs/dbraw/zinc/34/22/87/388342287.db2.gz APOCDQUWTZZRAP-MMQHMWHNSA-N 0 0 245.322 3.552 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1c(C)cccc1O)CC ZINC000492355326 388342313 /nfs/dbraw/zinc/34/23/13/388342313.db2.gz APOCDQUWTZZRAP-SVSYPLOBSA-N 0 0 245.322 3.552 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cc(SC)ccc1C ZINC000492364560 491081092 /nfs/dbraw/zinc/08/10/92/491081092.db2.gz JHUFUJJPQULRMK-DEQVHDEQSA-N 0 0 247.363 3.788 20 0 BHADRN C/C=C/C=C/C(=O)Nc1cc(SC)ccc1C ZINC000492364561 388342539 /nfs/dbraw/zinc/34/25/39/388342539.db2.gz JHUFUJJPQULRMK-YTXTXJHMSA-N 0 0 247.363 3.788 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cccc(SC)c1C ZINC000492368574 488045503 /nfs/dbraw/zinc/04/55/03/488045503.db2.gz SEDMIWZAWUDCIR-IGTFLHFFSA-N 0 0 247.363 3.788 20 0 BHADRN C/C=C/C=C/C(=O)Nc1cccc(SC)c1C ZINC000492368575 488045535 /nfs/dbraw/zinc/04/55/35/488045535.db2.gz SEDMIWZAWUDCIR-UMCKCUICSA-N 0 0 247.363 3.788 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)N2CCCC[C@H]2C)C1 ZINC000492506891 533832876 /nfs/dbraw/zinc/83/28/76/533832876.db2.gz FSESQTANLNDOIG-MCIONIFRSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)N2CCCC[C@H]2C)C1 ZINC000492506896 533737576 /nfs/dbraw/zinc/73/75/76/533737576.db2.gz FSESQTANLNDOIG-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN CCC(C)(C)NC(=O)C[C@@H](C)C1CCCCC1 ZINC000492549122 528550264 /nfs/dbraw/zinc/55/02/64/528550264.db2.gz JOYVJIADKHNFHT-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(C)NC(=O)C[C@H](C)C1CCCCC1 ZINC000492549136 528549936 /nfs/dbraw/zinc/54/99/36/528549936.db2.gz JOYVJIADKHNFHT-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CCc1cc(C(=O)NC(C)(C)CC)sc1C ZINC000492550732 529516142 /nfs/dbraw/zinc/51/61/42/529516142.db2.gz PMGWKJJOILCRHT-UHFFFAOYSA-N 0 0 239.384 3.537 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccccc1CSC ZINC000492553310 527613491 /nfs/dbraw/zinc/61/34/91/527613491.db2.gz QXAVRQJCUQEUEF-STMOGGTPSA-N 0 0 247.363 3.620 20 0 BHADRN CCCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000492588240 528109063 /nfs/dbraw/zinc/10/90/63/528109063.db2.gz GNIQLYLOOCFAEQ-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000492588241 528108999 /nfs/dbraw/zinc/10/89/99/528108999.db2.gz GNIQLYLOOCFAEQ-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CSc1cccc(C)c1NC(=O)/C=C/C1CC1 ZINC000492597762 226023940 /nfs/dbraw/zinc/02/39/40/226023940.db2.gz SSMICJAJZJWKCE-CMDGGOBGSA-N 0 0 247.363 3.622 20 0 BHADRN CSc1cccc(C)c1NC(=O)/C=C\C1CC1 ZINC000492597763 226023405 /nfs/dbraw/zinc/02/34/05/226023405.db2.gz SSMICJAJZJWKCE-HJWRWDBZSA-N 0 0 247.363 3.622 20 0 BHADRN C[C@H](CC(=O)NC(C)(C)C)C1CCCCC1 ZINC000492615872 533647543 /nfs/dbraw/zinc/64/75/43/533647543.db2.gz XLIYRQMXFHTHEV-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](CC(=O)NC(C)(C)C)C1CCCCC1 ZINC000492615873 533424950 /nfs/dbraw/zinc/42/49/50/533424950.db2.gz XLIYRQMXFHTHEV-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)NC(=O)CC(C)(C)c1ccccc1 ZINC000492637954 528544690 /nfs/dbraw/zinc/54/46/90/528544690.db2.gz ZHOCLIKEMAEPCJ-UHFFFAOYSA-N 0 0 247.382 3.659 20 0 BHADRN C/C=C/C=C\C(=O)Nc1c(C)cccc1SC ZINC000492641686 527612058 /nfs/dbraw/zinc/61/20/58/527612058.db2.gz GIBIRSBFQRJUOD-IGTFLHFFSA-N 0 0 247.363 3.788 20 0 BHADRN CC(C)(C)/C=C\C(=O)Nc1cccc2cc[nH]c21 ZINC000492671257 527557161 /nfs/dbraw/zinc/55/71/61/527557161.db2.gz CBUGPLOAGGNQCL-CLFYSBASSA-N 0 0 242.322 3.709 20 0 BHADRN CC(C)(C)/C=C/C(=O)Nc1cccc2cc[nH]c21 ZINC000492671258 527551438 /nfs/dbraw/zinc/55/14/38/527551438.db2.gz CBUGPLOAGGNQCL-VQHVLOKHSA-N 0 0 242.322 3.709 20 0 BHADRN FC1=CCCN(Cc2ccc3ccccc3c2)C1 ZINC000492685402 226037969 /nfs/dbraw/zinc/03/79/69/226037969.db2.gz VKOVPEOHLUDJOA-UHFFFAOYSA-N 0 0 241.309 3.899 20 0 BHADRN CCc1ccc(C(=O)NC2(C)CCCCC2)cc1 ZINC000492689554 529602130 /nfs/dbraw/zinc/60/21/30/529602130.db2.gz AKADLCOZINPZPU-UHFFFAOYSA-N 0 0 245.366 3.702 20 0 BHADRN O=C(N[C@@H](c1cccs1)C1CC1)C1CCCC1 ZINC000492711475 226040998 /nfs/dbraw/zinc/04/09/98/226040998.db2.gz QWLTVXADXUACOX-CYBMUJFWSA-N 0 0 249.379 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ZINC000492886024 527971729 /nfs/dbraw/zinc/97/17/29/527971729.db2.gz DMNCZFAIYVTOIQ-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)(C)CCC(=O)N1CCc2cccc(F)c21 ZINC000492891405 527652237 /nfs/dbraw/zinc/65/22/37/527652237.db2.gz NIPAXJFRDPVBKA-UHFFFAOYSA-N 0 0 249.329 3.541 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cccc(OC(C)C)c1 ZINC000492947950 527613277 /nfs/dbraw/zinc/61/32/77/527613277.db2.gz BQMQIQMWPIZOOQ-IGTFLHFFSA-N 0 0 245.322 3.545 20 0 BHADRN Fc1ccc2c(c1)[C@@H](N1CCC=C(F)C1)CCC2 ZINC000492970229 534501742 /nfs/dbraw/zinc/50/17/42/534501742.db2.gz BGJBMZWEMUQAHG-HNNXBMFYSA-N 0 0 249.304 3.762 20 0 BHADRN Fc1ccc2c(c1)[C@H](N1CCC=C(F)C1)CCC2 ZINC000492970230 534502226 /nfs/dbraw/zinc/50/22/26/534502226.db2.gz BGJBMZWEMUQAHG-OAHLLOKOSA-N 0 0 249.304 3.762 20 0 BHADRN C[C@@H](c1ccccc1Cl)N1CCC=C(F)C1 ZINC000492992719 226099716 /nfs/dbraw/zinc/09/97/16/226099716.db2.gz MFFARKPJDIHSKA-JTQLQIEISA-N 0 0 239.721 3.960 20 0 BHADRN C[C@H](c1ccccc1Cl)N1CCC=C(F)C1 ZINC000492992720 534137862 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/nfs/dbraw/zinc/12/29/89/226122989.db2.gz RYLLPGUFUVQFHB-VMPCVLLUSA-N 0 0 247.338 3.545 20 0 BHADRN C[C@H](c1ccco1)N(C)C(=O)/C=C\C1CCCC1 ZINC000493088594 226122944 /nfs/dbraw/zinc/12/29/44/226122944.db2.gz RYLLPGUFUVQFHB-ZWLSGLHFSA-N 0 0 247.338 3.545 20 0 BHADRN CCCC(C)(C)CC(=O)N(C)C1CCCC1 ZINC000493106311 527972142 /nfs/dbraw/zinc/97/21/42/527972142.db2.gz OPSJHYLMQHXKHI-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN C/C=C(/C=C/C(=O)NCc1cc(C)cs1)CC ZINC000493163249 527553006 /nfs/dbraw/zinc/55/30/06/527553006.db2.gz UGRSJUVTSBAFHB-GJQNCLFESA-N 0 0 249.379 3.585 20 0 BHADRN C/C=C(/C=C\C(=O)NCc1cc(C)cs1)CC ZINC000493163250 527561521 /nfs/dbraw/zinc/56/15/21/527561521.db2.gz UGRSJUVTSBAFHB-WLWVQNKQSA-N 0 0 249.379 3.585 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1ccc(O)cc1C)CC ZINC000493202021 527556452 /nfs/dbraw/zinc/55/64/52/527556452.db2.gz QHIYBLMWOKHXHW-IKQKLUSLSA-N 0 0 245.322 3.552 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1ccc(O)cc1C)CC ZINC000493202026 527564279 /nfs/dbraw/zinc/56/42/79/527564279.db2.gz QHIYBLMWOKHXHW-IXOOULEFSA-N 0 0 245.322 3.552 20 0 BHADRN CC[C@@H](C)Sc1nc2ccccc2nc1C ZINC000493227503 529388290 /nfs/dbraw/zinc/38/82/90/529388290.db2.gz JYOYIZKMWAHBKM-SECBINFHSA-N 0 0 232.352 3.829 20 0 BHADRN CC[C@H](C)Sc1nc2ccccc2nc1C ZINC000493227504 529197779 /nfs/dbraw/zinc/19/77/79/529197779.db2.gz JYOYIZKMWAHBKM-VIFPVBQESA-N 0 0 232.352 3.829 20 0 BHADRN CCC[C@H](C)CC(=O)NCCCc1ccccc1 ZINC000493242259 528027704 /nfs/dbraw/zinc/02/77/04/528027704.db2.gz KSIPRNHFIZRJII-AWEZNQCLSA-N 0 0 247.382 3.562 20 0 BHADRN CCC[C@@H](C)CC(=O)NCCCc1ccccc1 ZINC000493242260 528873427 /nfs/dbraw/zinc/87/34/27/528873427.db2.gz KSIPRNHFIZRJII-CQSZACIVSA-N 0 0 247.382 3.562 20 0 BHADRN O=C(/C=C\C1CCCC1)Nc1ccccc1F ZINC000493252357 226166183 /nfs/dbraw/zinc/16/61/83/226166183.db2.gz AMQRVOQBCFPQAW-KTKRTIGZSA-N 0 0 233.286 3.511 20 0 BHADRN CCCN(CCC)C(=O)C1CCC(C)(C)CC1 ZINC000493257928 528037598 /nfs/dbraw/zinc/03/75/98/528037598.db2.gz OXRKDAYNTWUEGP-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CC)c1nc2ccccc2nc1C ZINC000493278785 528398251 /nfs/dbraw/zinc/39/82/51/528398251.db2.gz VYAABEOZMLJHBS-UHFFFAOYSA-N 0 0 243.354 3.565 20 0 BHADRN CCCN(CC1CC1)C(=O)CC(C)(C)CCC ZINC000493281980 528017715 /nfs/dbraw/zinc/01/77/15/528017715.db2.gz RPIBAKDEMGBPQA-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN C/C=C(/C=C/C(=O)NCc1cscc1C)CC ZINC000493295499 527552941 /nfs/dbraw/zinc/55/29/41/527552941.db2.gz PLNYUJYBYYYISR-GJQNCLFESA-N 0 0 249.379 3.585 20 0 BHADRN C/C=C(/C=C\C(=O)NCc1cscc1C)CC ZINC000493295700 527561088 /nfs/dbraw/zinc/56/10/88/527561088.db2.gz PLNYUJYBYYYISR-WLWVQNKQSA-N 0 0 249.379 3.585 20 0 BHADRN CSC1(C(=O)Nc2cc(C)cc(C)c2)CCC1 ZINC000493341233 533477288 /nfs/dbraw/zinc/47/72/88/533477288.db2.gz YLKPXCFZEIENKZ-UHFFFAOYSA-N 0 0 249.379 3.528 20 0 BHADRN CCCC1(C(=O)Nc2ccc(O)c(C)c2)CCC1 ZINC000493370559 528032449 /nfs/dbraw/zinc/03/24/49/528032449.db2.gz AZEWSJGUAPHCNQ-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN Cc1cccc(C)c1NC(=O)/C=C\C1CCCC1 ZINC000493436333 534672463 /nfs/dbraw/zinc/67/24/63/534672463.db2.gz VYZAYTKVJULCTL-KHPPLWFESA-N 0 0 243.350 3.988 20 0 BHADRN CCN(Cc1ccccc1)C(=O)/C=C\C(C)(C)C ZINC000493457954 528816392 /nfs/dbraw/zinc/81/63/92/528816392.db2.gz ULCCGGAWNSERCL-QXMHVHEDSA-N 0 0 245.366 3.637 20 0 BHADRN Cc1cscc1NC(=O)/C=C\C1CCCC1 ZINC000493466701 226223934 /nfs/dbraw/zinc/22/39/34/226223934.db2.gz YNRNQTPSAWKLAV-SREVYHEPSA-N 0 0 235.352 3.741 20 0 BHADRN Cc1cscc1NC(=O)/C=C/C1CCCC1 ZINC000493466705 226224619 /nfs/dbraw/zinc/22/46/19/226224619.db2.gz YNRNQTPSAWKLAV-VOTSOKGWSA-N 0 0 235.352 3.741 20 0 BHADRN CCCCN(CC)C(=O)CC(C)(C)CCC ZINC000493474458 528384360 /nfs/dbraw/zinc/38/43/60/528384360.db2.gz TUVUKJQGADVOLI-UHFFFAOYSA-N 0 0 227.392 3.851 20 0 BHADRN CSc1cc(C)ccc1NC(=O)/C=C/C1CC1 ZINC000493484890 534148270 /nfs/dbraw/zinc/14/82/70/534148270.db2.gz BITMSKZTAYVECH-SOFGYWHQSA-N 0 0 247.363 3.622 20 0 BHADRN CSc1cc(C)ccc1NC(=O)/C=C\C1CC1 ZINC000493484924 534147004 /nfs/dbraw/zinc/14/70/04/534147004.db2.gz BITMSKZTAYVECH-VURMDHGXSA-N 0 0 247.363 3.622 20 0 BHADRN Cc1ccccc1NC(=O)/C=C\C1CCCC1 ZINC000493507950 226235867 /nfs/dbraw/zinc/23/58/67/226235867.db2.gz BBQQEMPNMMBWDH-KHPPLWFESA-N 0 0 229.323 3.680 20 0 BHADRN CCO/C=C\C(=O)Nc1c(C)cccc1C(C)C ZINC000493542883 528538805 /nfs/dbraw/zinc/53/88/05/528538805.db2.gz AQDIQTHWBJNEDV-KTKRTIGZSA-N 0 0 247.338 3.607 20 0 BHADRN CCO/C=C/C(=O)Nc1c(C)cccc1C(C)C ZINC000493542884 528497397 /nfs/dbraw/zinc/49/73/97/528497397.db2.gz AQDIQTHWBJNEDV-MDZDMXLPSA-N 0 0 247.338 3.607 20 0 BHADRN CN(C(=O)/C=C/c1ccsc1)C1(C)CCCC1 ZINC000493551163 229214806 /nfs/dbraw/zinc/21/48/06/229214806.db2.gz MZFQZXZLAVXYCS-AATRIKPKSA-N 0 0 249.379 3.552 20 0 BHADRN CN(C(=O)/C=C\c1ccsc1)C1(C)CCCC1 ZINC000493551165 229214571 /nfs/dbraw/zinc/21/45/71/229214571.db2.gz MZFQZXZLAVXYCS-WAYWQWQTSA-N 0 0 249.379 3.552 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)/C=C/C2CC2)c1C ZINC000493626526 226246607 /nfs/dbraw/zinc/24/66/07/226246607.db2.gz XIUVRMJPXIBPFZ-SOFGYWHQSA-N 0 0 249.741 3.862 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)/C=C\C2CC2)c1C ZINC000493626529 226246670 /nfs/dbraw/zinc/24/66/70/226246670.db2.gz XIUVRMJPXIBPFZ-VURMDHGXSA-N 0 0 249.741 3.862 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccc2ccoc2c1 ZINC000493653575 527613237 /nfs/dbraw/zinc/61/32/37/527613237.db2.gz YOVLZSVMPXBMSI-IAROGAJJSA-N 0 0 227.263 3.504 20 0 BHADRN C/C=C/C=C/C(=O)Nc1ccc2ccoc2c1 ZINC000493653576 527587398 /nfs/dbraw/zinc/58/73/98/527587398.db2.gz YOVLZSVMPXBMSI-MQQKCMAXSA-N 0 0 227.263 3.504 20 0 BHADRN Cc1cc(Cl)c(NC(=O)/C=C\C2CC2)cc1C ZINC000493673007 226248814 /nfs/dbraw/zinc/24/88/14/226248814.db2.gz JWZJURKWOZCAFG-WAYWQWQTSA-N 0 0 249.741 3.862 20 0 BHADRN C/C=C/C=C/C(=O)Nc1cccc(F)c1Cl ZINC000493729644 527587521 /nfs/dbraw/zinc/58/75/21/527587521.db2.gz UHVOIQIRTLHIRX-CRBCFSCISA-N 0 0 239.677 3.550 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cccc(F)c1Cl ZINC000493729645 527613336 /nfs/dbraw/zinc/61/33/36/527613336.db2.gz UHVOIQIRTLHIRX-HOJFPOIOSA-N 0 0 239.677 3.550 20 0 BHADRN O=C(/C=C/C1CC1)Nc1ccccc1C(F)F 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529062056 /nfs/dbraw/zinc/06/20/56/529062056.db2.gz MEKJVZSUEIKOJQ-TYNCELHUSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1cccc(N[C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000494824662 529061886 /nfs/dbraw/zinc/06/18/86/529061886.db2.gz MEKJVZSUEIKOJQ-YWPYICTPSA-N 0 0 233.355 3.680 20 0 BHADRN CCC(C)(CC)NC(=O)C1CCC(C)(C)CC1 ZINC000494827886 528610101 /nfs/dbraw/zinc/61/01/01/528610101.db2.gz YRMAPOGVKKACRN-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN CCOCc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000494830617 529053136 /nfs/dbraw/zinc/05/31/36/529053136.db2.gz VBHVVBJFUBJILL-LALPHHSUSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000494830618 529053018 /nfs/dbraw/zinc/05/30/18/529053018.db2.gz VBHVVBJFUBJILL-SLEUVZQESA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000494830619 529052818 /nfs/dbraw/zinc/05/28/18/529052818.db2.gz VBHVVBJFUBJILL-TYNCELHUSA-N 0 0 233.355 3.680 20 0 BHADRN CCOCc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000494830620 529052864 /nfs/dbraw/zinc/05/28/64/529052864.db2.gz VBHVVBJFUBJILL-YWPYICTPSA-N 0 0 233.355 3.680 20 0 BHADRN Cc1ccc(NC(=O)C2CCC(C)(C)CC2)nc1 ZINC000494830774 323089092 /nfs/dbraw/zinc/08/90/92/323089092.db2.gz VLKQPXWGHNESEI-UHFFFAOYSA-N 0 0 246.354 3.545 20 0 BHADRN COCC(C)(C)CNc1ccc(C2CC2)c(C)c1 ZINC000494838191 226270163 /nfs/dbraw/zinc/27/01/63/226270163.db2.gz NECFPSOHPOTQQH-UHFFFAOYSA-N 0 0 247.382 3.957 20 0 BHADRN CC[C@@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC000494839297 529299981 /nfs/dbraw/zinc/29/99/81/529299981.db2.gz WWGHONBKCBDFBI-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC000494839298 529218783 /nfs/dbraw/zinc/21/87/83/529218783.db2.gz WWGHONBKCBDFBI-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN CC1(NC(=O)C2CCC(C)(C)CC2)CCCC1 ZINC000494840828 528018328 /nfs/dbraw/zinc/01/83/28/528018328.db2.gz VJTAXOOMKAZCOL-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN COCC(C)(C)CNc1ccc2ccoc2c1 ZINC000494843449 226270230 /nfs/dbraw/zinc/27/02/30/226270230.db2.gz 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235.375 3.619 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc(C)cc1F ZINC000494947345 528030813 /nfs/dbraw/zinc/03/08/13/528030813.db2.gz OHPOZUDQMTVISF-JTQLQIEISA-N 0 0 237.318 3.899 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc(C)cc1F ZINC000494947347 528876191 /nfs/dbraw/zinc/87/61/91/528876191.db2.gz OHPOZUDQMTVISF-SNVBAGLBSA-N 0 0 237.318 3.899 20 0 BHADRN CCOc1ccc(OC)cc1N[C@@H]1C[C@H](C)[C@H]1C ZINC000494954104 528561885 /nfs/dbraw/zinc/56/18/85/528561885.db2.gz GKKUXIRHUMLNJJ-DMDPSCGWSA-N 0 0 249.354 3.550 20 0 BHADRN CCOc1ccc(OC)cc1N[C@@H]1C[C@H](C)[C@@H]1C ZINC000494954105 528562430 /nfs/dbraw/zinc/56/24/30/528562430.db2.gz GKKUXIRHUMLNJJ-GMXVVIOVSA-N 0 0 249.354 3.550 20 0 BHADRN CCOc1ccc(OC)cc1N[C@@H]1C[C@@H](C)[C@H]1C ZINC000494954107 528561911 /nfs/dbraw/zinc/56/19/11/528561911.db2.gz GKKUXIRHUMLNJJ-NQBHXWOUSA-N 0 0 249.354 3.550 20 0 BHADRN CCOc1ccc(OC)cc1N[C@@H]1C[C@@H](C)[C@@H]1C ZINC000494954109 528562520 /nfs/dbraw/zinc/56/25/20/528562520.db2.gz GKKUXIRHUMLNJJ-NTZNESFSSA-N 0 0 249.354 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CC(C)CC(=O)NCc1ccc(C2CCC2)cc1 ZINC000495155499 527664908 /nfs/dbraw/zinc/66/49/08/527664908.db2.gz FQCJIQHALSZOQJ-UHFFFAOYSA-N 0 0 245.366 3.616 20 0 BHADRN CCC(CC)NC(=O)CC1CCCCCC1 ZINC000495158848 528791073 /nfs/dbraw/zinc/79/10/73/528791073.db2.gz NUPWAWDZESVOIR-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN C[C@@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C[C@@H]1C ZINC000495160534 533934204 /nfs/dbraw/zinc/93/42/04/533934204.db2.gz BLMXZCYMGWEIHV-NEPJUHHUSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C[C@H]1C ZINC000495160543 533589475 /nfs/dbraw/zinc/58/94/75/533589475.db2.gz BLMXZCYMGWEIHV-NWDGAFQWSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@H]1CN(C(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC000495160546 226277502 /nfs/dbraw/zinc/27/75/02/226277502.db2.gz BLMXZCYMGWEIHV-RYUDHWBXSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C[C@H]1C ZINC000495160548 533934508 /nfs/dbraw/zinc/93/45/08/533934508.db2.gz BLMXZCYMGWEIHV-VXGBXAGGSA-N 0 0 239.403 3.563 20 0 BHADRN 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237.387 3.652 20 0 BHADRN Cc1ccc(SCC(F)(F)F)cc1C ZINC000495323241 226280680 /nfs/dbraw/zinc/28/06/80/226280680.db2.gz BHROOMFUIWLMEY-UHFFFAOYSA-N 0 0 220.259 3.958 20 0 BHADRN Fc1ccccc1COc1c(F)cccc1F ZINC000495329574 226280791 /nfs/dbraw/zinc/28/07/91/226280791.db2.gz POHRSEMYCUYHEU-UHFFFAOYSA-N 0 0 238.208 3.683 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H]1CCc2ccccc21 ZINC000495329777 528875124 /nfs/dbraw/zinc/87/51/24/528875124.db2.gz UZQLQFIAFKQJRI-DOMZBBRYSA-N 0 0 245.366 3.616 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@@H]1CCc2ccccc21 ZINC000495329778 528874639 /nfs/dbraw/zinc/87/46/39/528874639.db2.gz UZQLQFIAFKQJRI-IUODEOHRSA-N 0 0 245.366 3.616 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCc2ccccc21 ZINC000495329779 528030147 /nfs/dbraw/zinc/03/01/47/528030147.db2.gz UZQLQFIAFKQJRI-SWLSCSKDSA-N 0 0 245.366 3.616 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCc2ccccc21 ZINC000495329780 528030155 /nfs/dbraw/zinc/03/01/55/528030155.db2.gz UZQLQFIAFKQJRI-WFASDCNBSA-N 0 0 245.366 3.616 20 0 BHADRN CC/C=C\CCNc1cccc(NC(=O)OC)c1 ZINC000495331329 528791243 /nfs/dbraw/zinc/79/12/43/528791243.db2.gz NWTCEBVLVGZROD-PLNGDYQASA-N 0 0 248.326 3.633 20 0 BHADRN Cc1ccc(C)c(SCC(F)(F)F)c1 ZINC000495332962 226280699 /nfs/dbraw/zinc/28/06/99/226280699.db2.gz RLKYBIVKKHMELE-UHFFFAOYSA-N 0 0 220.259 3.958 20 0 BHADRN Cc1ccc(SCC(F)(F)F)c(C)c1 ZINC000495333316 226280627 /nfs/dbraw/zinc/28/06/27/226280627.db2.gz VKDPCZAHSAWQFJ-UHFFFAOYSA-N 0 0 220.259 3.958 20 0 BHADRN Cc1ccc(COc2c(F)cccc2F)cc1 ZINC000495333319 226280644 /nfs/dbraw/zinc/28/06/44/226280644.db2.gz GOGNSWJTMOUZLV-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN Fc1ccc(COc2c(F)cccc2F)cc1 ZINC000495334130 534471405 /nfs/dbraw/zinc/47/14/05/534471405.db2.gz RRTRHDIKTQIWTP-UHFFFAOYSA-N 0 0 238.208 3.683 20 0 BHADRN Fc1cccc(F)c1OCC1CCCCC1 ZINC000495336173 226280782 /nfs/dbraw/zinc/28/07/82/226280782.db2.gz DQMLXPFWXXWKGF-UHFFFAOYSA-N 0 0 226.266 3.924 20 0 BHADRN Fc1cccc(COc2c(F)cccc2F)c1 ZINC000495336229 534519977 /nfs/dbraw/zinc/51/99/77/534519977.db2.gz FIZSOJITOZXWQT-UHFFFAOYSA-N 0 0 238.208 3.683 20 0 BHADRN Cc1ccccc1COc1c(F)cccc1F ZINC000495336764 226280639 /nfs/dbraw/zinc/28/06/39/226280639.db2.gz JNCGXMZCUHRVSB-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN CC(C)C[C@H]1CCCN1c1cc(C(C)C)ncn1 ZINC000495342387 528592582 /nfs/dbraw/zinc/59/25/82/528592582.db2.gz KGRYMGHRGRZIIB-CYBMUJFWSA-N 0 0 247.386 3.615 20 0 BHADRN CC(C)C[C@@H]1CCCN1c1cc(C(C)C)ncn1 ZINC000495342388 528381323 /nfs/dbraw/zinc/38/13/23/528381323.db2.gz KGRYMGHRGRZIIB-ZDUSSCGKSA-N 0 0 247.386 3.615 20 0 BHADRN CC[C@@H](Nc1cc(C(C)C)ncn1)C(C)(C)C ZINC000495343634 529208837 /nfs/dbraw/zinc/20/88/37/529208837.db2.gz QIBZBJWINDIDLU-GFCCVEGCSA-N 0 0 235.375 3.837 20 0 BHADRN CC[C@H](Nc1cc(C(C)C)ncn1)C(C)(C)C ZINC000495343635 529674026 /nfs/dbraw/zinc/67/40/26/529674026.db2.gz QIBZBJWINDIDLU-LBPRGKRZSA-N 0 0 235.375 3.837 20 0 BHADRN CCC[C@@H](C(=O)Nc1ccc(C)c(O)c1)C(C)C ZINC000495345612 528847707 /nfs/dbraw/zinc/84/77/07/528847707.db2.gz UTFDDXMCRVPZLL-CYBMUJFWSA-N 0 0 249.354 3.711 20 0 BHADRN CCC[C@H](C(=O)Nc1ccc(C)c(O)c1)C(C)C ZINC000495345613 527987897 /nfs/dbraw/zinc/98/78/97/527987897.db2.gz UTFDDXMCRVPZLL-ZDUSSCGKSA-N 0 0 249.354 3.711 20 0 BHADRN CCC(CC)Sc1cc(C(C)C)ncn1 ZINC000495354587 528808938 /nfs/dbraw/zinc/80/89/38/528808938.db2.gz SUZRAYVKJWCOFU-UHFFFAOYSA-N 0 0 224.373 3.881 20 0 BHADRN CCC[C@@H](C)CC(=O)NCCCC1CCCC1 ZINC000495365765 528873664 /nfs/dbraw/zinc/87/36/64/528873664.db2.gz MNSXIEUEIXFKPC-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCC[C@H](C)CC(=O)NCCCC1CCCC1 ZINC000495365766 528027416 /nfs/dbraw/zinc/02/74/16/528027416.db2.gz MNSXIEUEIXFKPC-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN Cc1ccccc1CSCC(F)(F)F ZINC000495368402 226280889 /nfs/dbraw/zinc/28/08/89/226280889.db2.gz GPCMFJXFQYRDLQ-UHFFFAOYSA-N 0 0 220.259 3.791 20 0 BHADRN Cc1cc(Nc2cc(C(C)C)ncn2)ccc1F ZINC000495369996 226280845 /nfs/dbraw/zinc/28/08/45/226280845.db2.gz YYZRBQJRAIUVMH-UHFFFAOYSA-N 0 0 245.301 3.791 20 0 BHADRN CCCSc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000495390019 528832146 /nfs/dbraw/zinc/83/21/46/528832146.db2.gz ZHOARMGBXIDWCD-UHFFFAOYSA-N 0 0 248.351 3.856 20 0 BHADRN FC(F)(F)CSc1ccc2ccccc2n1 ZINC000495390884 534394046 /nfs/dbraw/zinc/39/40/46/534394046.db2.gz JHPZEBGFNFLMEY-UHFFFAOYSA-N 0 0 243.253 3.889 20 0 BHADRN COc1cc(NC(C)C)cc(OC)c1C(C)C ZINC000495410213 533024086 /nfs/dbraw/zinc/02/40/86/533024086.db2.gz UNPIYBHWZOQUBH-UHFFFAOYSA-N 0 0 237.343 3.648 20 0 BHADRN CC(C)[C@H](NC(=O)CC(C)(C)C)c1ccccc1 ZINC000495411459 529081252 /nfs/dbraw/zinc/08/12/52/529081252.db2.gz IHAUPTYEIUNQBK-HNNXBMFYSA-N 0 0 247.382 3.936 20 0 BHADRN COC[C@@H](Nc1csc2ccccc12)C(C)C ZINC000495415846 226281071 /nfs/dbraw/zinc/28/10/71/226281071.db2.gz USDUAQLTEWOAPP-GFCCVEGCSA-N 0 0 249.379 3.984 20 0 BHADRN COC[C@H](Nc1csc2ccccc12)C(C)C ZINC000495415847 226281149 /nfs/dbraw/zinc/28/11/49/226281149.db2.gz USDUAQLTEWOAPP-LBPRGKRZSA-N 0 0 249.379 3.984 20 0 BHADRN COC[C@@H](Nc1csc2ccccc12)C1CC1 ZINC000495421518 226281108 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ZSWHCWLTMKNEEU-NEPJUHHUSA-N 0 0 249.329 3.981 20 0 BHADRN C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(F)c2)C1 ZINC000495453116 226281411 /nfs/dbraw/zinc/28/14/11/226281411.db2.gz ZSWHCWLTMKNEEU-NWDGAFQWSA-N 0 0 249.329 3.981 20 0 BHADRN C[C@H]1CCC[C@H](CC(=O)Nc2cccc(F)c2)C1 ZINC000495453117 226281327 /nfs/dbraw/zinc/28/13/27/226281327.db2.gz ZSWHCWLTMKNEEU-RYUDHWBXSA-N 0 0 249.329 3.981 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(F)c2)C1 ZINC000495453118 533742776 /nfs/dbraw/zinc/74/27/76/533742776.db2.gz ZSWHCWLTMKNEEU-VXGBXAGGSA-N 0 0 249.329 3.981 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000495520705 529304352 /nfs/dbraw/zinc/30/43/52/529304352.db2.gz HUKJTRNVDMHNRM-LLVKDONJSA-N 0 0 233.355 3.969 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000495520708 529637096 /nfs/dbraw/zinc/63/70/96/529637096.db2.gz HUKJTRNVDMHNRM-NSHDSACASA-N 0 0 233.355 3.969 20 0 BHADRN COc1cccc(CSC2CCCCC2)n1 ZINC000495829745 533533407 /nfs/dbraw/zinc/53/34/07/533533407.db2.gz PDZXKDAFSNUPID-UHFFFAOYSA-N 0 0 237.368 3.656 20 0 BHADRN COc1cccc(CSc2ccc(C)cc2)n1 ZINC000495831087 533535057 /nfs/dbraw/zinc/53/50/57/533535057.db2.gz VLOIYOAOTZBUAR-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN COc1cccc(CSc2ccccc2C)n1 ZINC000495881946 533534796 /nfs/dbraw/zinc/53/47/96/533534796.db2.gz AFNLGUMNBBIDFW-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN COc1cccc(CSc2cccc(C)c2)n1 ZINC000495882015 533535102 /nfs/dbraw/zinc/53/51/02/533535102.db2.gz ARXGFSTYBGFGIG-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN Cc1cc(NC(=O)C(C)(C)C2CC2)ccc1F ZINC000496112038 226296790 /nfs/dbraw/zinc/29/67/90/226296790.db2.gz PHINTXIUABOYIS-UHFFFAOYSA-N 0 0 235.302 3.509 20 0 BHADRN Cc1ccc(C(=O)NCCC2CCCCC2)cc1 ZINC000496271713 226300809 /nfs/dbraw/zinc/30/08/09/226300809.db2.gz KSIVOXVWRUTYKZ-UHFFFAOYSA-N 0 0 245.366 3.695 20 0 BHADRN CCCCCC(=O)NCCC1CCCCC1 ZINC000496274579 528107368 /nfs/dbraw/zinc/10/73/68/528107368.db2.gz XVZFITZRMMDREO-UHFFFAOYSA-N 0 0 225.376 3.653 20 0 BHADRN O=C(NCCC1CCCCC1)c1cccc(F)c1 ZINC000496274592 226300750 /nfs/dbraw/zinc/30/07/50/226300750.db2.gz XYJUABFYNLPAFN-UHFFFAOYSA-N 0 0 249.329 3.526 20 0 BHADRN O=C(CC1CCCC1)NCCC1CCCCC1 ZINC000496274775 226300639 /nfs/dbraw/zinc/30/06/39/226300639.db2.gz YPEPCASZYBHXBT-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCC[C@@H](C)CC(=O)NCCC1CCCCC1 ZINC000496304494 528873744 /nfs/dbraw/zinc/87/37/44/528873744.db2.gz NXHLOGZDBVSHMS-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCC[C@H](C)CC(=O)NCCC1CCCCC1 ZINC000496304496 528026870 /nfs/dbraw/zinc/02/68/70/528026870.db2.gz NXHLOGZDBVSHMS-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN CC(C)(C)CCCCNC(=O)C(C)(C)C1CC1 ZINC000496496800 527658272 /nfs/dbraw/zinc/65/82/72/527658272.db2.gz PYYGQNGWPPKKGQ-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1cc(C)ccc1OC ZINC000496599098 528875132 /nfs/dbraw/zinc/87/51/32/528875132.db2.gz OQCUAZKVWPGMHQ-LLVKDONJSA-N 0 0 249.354 3.768 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1cc(C)ccc1OC ZINC000496599099 528030721 /nfs/dbraw/zinc/03/07/21/528030721.db2.gz OQCUAZKVWPGMHQ-NSHDSACASA-N 0 0 249.354 3.768 20 0 BHADRN CCN(C(=O)OC1CCC1)c1cccc(C)c1 ZINC000496600454 529031017 /nfs/dbraw/zinc/03/10/17/529031017.db2.gz OZVHQIUSKSLCBC-UHFFFAOYSA-N 0 0 233.311 3.510 20 0 BHADRN CCCCCC(=O)N(C)Cc1cccc(C)c1 ZINC000496690187 528102275 /nfs/dbraw/zinc/10/22/75/528102275.db2.gz XVTVDEACQFLIRH-UHFFFAOYSA-N 0 0 233.355 3.534 20 0 BHADRN Cc1cccc(CN(C)C(=O)CC2CCCC2)c1 ZINC000496787399 226314307 /nfs/dbraw/zinc/31/43/07/226314307.db2.gz ZQWPXOZKWJANDQ-UHFFFAOYSA-N 0 0 245.366 3.534 20 0 BHADRN COCc1cccc(OCc2cccc(C)c2)c1 ZINC000496823600 226314805 /nfs/dbraw/zinc/31/48/05/226314805.db2.gz MMXBLHRXZURMGS-UHFFFAOYSA-N 0 0 242.318 3.720 20 0 BHADRN COCc1cccc(OCc2ccc(C)cc2)c1 ZINC000496853059 226315780 /nfs/dbraw/zinc/31/57/80/226315780.db2.gz MWXHIAOLXXPTIW-UHFFFAOYSA-N 0 0 242.318 3.720 20 0 BHADRN COCc1cccc(OCc2ccccc2C)c1 ZINC000496883385 226316517 /nfs/dbraw/zinc/31/65/17/226316517.db2.gz QDXJXJFTBOMVPM-UHFFFAOYSA-N 0 0 242.318 3.720 20 0 BHADRN CCc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)cc1C ZINC000496915962 529686722 /nfs/dbraw/zinc/68/67/22/529686722.db2.gz VTAWXGRDRQQGDZ-CABCVRRESA-N 0 0 243.350 3.542 20 0 BHADRN CC1(C)CCCN(c2ccc3ccccc3n2)C1 ZINC000496917024 528939036 /nfs/dbraw/zinc/93/90/36/528939036.db2.gz WBEXVPIGPFGGIK-UHFFFAOYSA-N 0 0 240.350 3.861 20 0 BHADRN CC(C)OC(=O)NCc1csc2ccccc12 ZINC000496929728 527825396 /nfs/dbraw/zinc/82/53/96/527825396.db2.gz ZGCHMPAMVXVDCH-UHFFFAOYSA-N 0 0 249.335 3.536 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccc(F)cc1C ZINC000496933051 528031413 /nfs/dbraw/zinc/03/14/13/528031413.db2.gz PWBACHXDQRGOHS-JTQLQIEISA-N 0 0 237.318 3.899 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccc(F)cc1C ZINC000496933052 528875187 /nfs/dbraw/zinc/87/51/87/528875187.db2.gz PWBACHXDQRGOHS-SNVBAGLBSA-N 0 0 237.318 3.899 20 0 BHADRN CC[C@H](O)CN(CCC(C)(C)C)c1ccccc1 ZINC000496987473 529694732 /nfs/dbraw/zinc/69/47/32/529694732.db2.gz WRAMIZMVXJKYKZ-HNNXBMFYSA-N 0 0 249.398 3.700 20 0 BHADRN CC[C@@H](O)CN(CCC(C)(C)C)c1ccccc1 ZINC000496987474 529224674 /nfs/dbraw/zinc/22/46/74/529224674.db2.gz WRAMIZMVXJKYKZ-OAHLLOKOSA-N 0 0 249.398 3.700 20 0 BHADRN CC(C)N(C(=O)OC1CCC1)c1ccccc1 ZINC000497099344 528781596 /nfs/dbraw/zinc/78/15/96/528781596.db2.gz FFCJQIWELDAKDN-UHFFFAOYSA-N 0 0 233.311 3.591 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)CCC(C)C ZINC000497157441 527705272 /nfs/dbraw/zinc/70/52/72/527705272.db2.gz MCSXVCVTZVIPME-CYBMUJFWSA-N 0 0 227.392 3.754 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)CCC(C)C ZINC000497157443 385727588 /nfs/dbraw/zinc/72/75/88/385727588.db2.gz MCSXVCVTZVIPME-ZDUSSCGKSA-N 0 0 227.392 3.754 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1CCCC(C)(C)C1 ZINC000497160534 385761373 /nfs/dbraw/zinc/76/13/73/385761373.db2.gz JVDIJRBNTNDSIQ-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@H](CC)C(=O)N1CCCC(C)(C)C1 ZINC000497160565 385761267 /nfs/dbraw/zinc/76/12/67/385761267.db2.gz JVDIJRBNTNDSIQ-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@@H]1CCCN(c2ccncc2Cl)CC1 ZINC000497177309 384716316 /nfs/dbraw/zinc/71/63/16/384716316.db2.gz COKOQZIVJKJUEO-LLVKDONJSA-N 0 0 238.762 3.752 20 0 BHADRN CC[C@H]1CCCN(c2ccncc2Cl)CC1 ZINC000497177314 384716618 /nfs/dbraw/zinc/71/66/18/384716618.db2.gz COKOQZIVJKJUEO-NSHDSACASA-N 0 0 238.762 3.752 20 0 BHADRN CCCCCC(=O)N[C@H](C)CCCC(C)C ZINC000497249215 384912944 /nfs/dbraw/zinc/91/29/44/384912944.db2.gz DTIMOSWYURLVSB-CYBMUJFWSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC(=O)N[C@@H](C)CCCC(C)C ZINC000497249217 384913407 /nfs/dbraw/zinc/91/34/07/384913407.db2.gz DTIMOSWYURLVSB-ZDUSSCGKSA-N 0 0 227.392 3.898 20 0 BHADRN CC(C)CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000497292520 527666638 /nfs/dbraw/zinc/66/66/38/527666638.db2.gz AVDSRKDOCWOAHJ-BFHYXJOUSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000497292526 384943076 /nfs/dbraw/zinc/94/30/76/384943076.db2.gz AVDSRKDOCWOAHJ-HZSPNIEDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000497292527 384944309 /nfs/dbraw/zinc/94/43/09/384944309.db2.gz AVDSRKDOCWOAHJ-MELADBBJSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000497292528 384944299 /nfs/dbraw/zinc/94/42/99/384944299.db2.gz AVDSRKDOCWOAHJ-MGPQQGTHSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000497312169 384962263 /nfs/dbraw/zinc/96/22/63/384962263.db2.gz JJNBJKOUUBILDM-BFHYXJOUSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000497312171 384961825 /nfs/dbraw/zinc/96/18/25/384961825.db2.gz JJNBJKOUUBILDM-HZSPNIEDSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000497312172 528090424 /nfs/dbraw/zinc/09/04/24/528090424.db2.gz JJNBJKOUUBILDM-MELADBBJSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000497312174 384960952 /nfs/dbraw/zinc/96/09/52/384960952.db2.gz JJNBJKOUUBILDM-MGPQQGTHSA-N 0 0 237.387 3.652 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(CC)CC)cc1 ZINC000497319615 384968396 /nfs/dbraw/zinc/96/83/96/384968396.db2.gz JVAIVZLOAQYBFI-DAXSKMNVSA-N 0 0 232.327 3.593 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(CC)CC)cc1 ZINC000497319627 384969007 /nfs/dbraw/zinc/96/90/07/384969007.db2.gz JVAIVZLOAQYBFI-QPJJXVBHSA-N 0 0 232.327 3.593 20 0 BHADRN C/C=C/c1ccc(NC(=O)NCCCC)cc1 ZINC000497320743 384973566 /nfs/dbraw/zinc/97/35/66/384973566.db2.gz RDLZJSKHGXAKOW-GQCTYLIASA-N 0 0 232.327 3.641 20 0 BHADRN C/C=C\c1ccc(NC(=O)NCCCC)cc1 ZINC000497320784 526341185 /nfs/dbraw/zinc/34/11/85/526341185.db2.gz RDLZJSKHGXAKOW-XQRVVYSFSA-N 0 0 232.327 3.641 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(CC)CCC)cc1 ZINC000497322352 384971380 /nfs/dbraw/zinc/97/13/80/384971380.db2.gz KVKXKUAITXVQGH-DAXSKMNVSA-N 0 0 246.354 3.984 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(CC)CCC)cc1 ZINC000497322356 384972949 /nfs/dbraw/zinc/97/29/49/384972949.db2.gz KVKXKUAITXVQGH-QPJJXVBHSA-N 0 0 246.354 3.984 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(C)CCCC)cc1 ZINC000497323670 384972670 /nfs/dbraw/zinc/97/26/70/384972670.db2.gz WAIAOVJDHBSBRX-ALCCZGGFSA-N 0 0 246.354 3.984 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(C)CCCC)cc1 ZINC000497323715 526300730 /nfs/dbraw/zinc/30/07/30/526300730.db2.gz WAIAOVJDHBSBRX-FNORWQNLSA-N 0 0 246.354 3.984 20 0 BHADRN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCCC1 ZINC000497324288 384975596 /nfs/dbraw/zinc/97/55/96/384975596.db2.gz HFONKMITEYIUNV-AEGPPILISA-N 0 0 249.398 3.652 20 0 BHADRN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1 ZINC000497324289 384974768 /nfs/dbraw/zinc/97/47/68/384974768.db2.gz HFONKMITEYIUNV-BPLDGKMQSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1 ZINC000497324290 384977652 /nfs/dbraw/zinc/97/76/52/384977652.db2.gz HFONKMITEYIUNV-NWANDNLSSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCCC1 ZINC000497324291 384975976 /nfs/dbraw/zinc/97/59/76/384975976.db2.gz HFONKMITEYIUNV-VHDGCEQUSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000497334100 384978454 /nfs/dbraw/zinc/97/84/54/384978454.db2.gz STAPKDKCSJYSIO-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000497334102 384980089 /nfs/dbraw/zinc/98/00/89/384980089.db2.gz STAPKDKCSJYSIO-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000497334103 384980356 /nfs/dbraw/zinc/98/03/56/384980356.db2.gz STAPKDKCSJYSIO-RWMBFGLXSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000497334105 384978739 /nfs/dbraw/zinc/97/87/39/384978739.db2.gz STAPKDKCSJYSIO-YNEHKIRRSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000497336207 384981188 /nfs/dbraw/zinc/98/11/88/384981188.db2.gz UCOUVTNGXGKZRL-IGQOVBAYSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000497336208 384978673 /nfs/dbraw/zinc/97/86/73/384978673.db2.gz UCOUVTNGXGKZRL-REWJHTLYSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000497336209 384979567 /nfs/dbraw/zinc/97/95/67/384979567.db2.gz UCOUVTNGXGKZRL-RFQIPJPRSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000497336210 384980107 /nfs/dbraw/zinc/98/01/07/384980107.db2.gz UCOUVTNGXGKZRL-XDQVBPFNSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@H](CC)c1cccs1 ZINC000497356479 323083843 /nfs/dbraw/zinc/08/38/43/323083843.db2.gz AJBHQLBMVODBQZ-GHMZBOCLSA-N 0 0 239.384 3.752 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@@H](CC)c1cccs1 ZINC000497356480 323083857 /nfs/dbraw/zinc/08/38/57/323083857.db2.gz AJBHQLBMVODBQZ-MNOVXSKESA-N 0 0 239.384 3.752 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H](CC)c1cccs1 ZINC000497356481 323083845 /nfs/dbraw/zinc/08/38/45/323083845.db2.gz AJBHQLBMVODBQZ-QWRGUYRKSA-N 0 0 239.384 3.752 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H](CC)c1cccs1 ZINC000497356482 323083801 /nfs/dbraw/zinc/08/38/01/323083801.db2.gz AJBHQLBMVODBQZ-WDEREUQCSA-N 0 0 239.384 3.752 20 0 BHADRN CC(C)[C@H](c1ccccc1)N(C)CC(F)(F)F ZINC000497356766 323083847 /nfs/dbraw/zinc/08/38/47/323083847.db2.gz BPLKXUSOSGIADF-GFCCVEGCSA-N 0 0 245.288 3.878 20 0 BHADRN CC(C)[C@@H](c1ccccc1)N(C)CC(F)(F)F ZINC000497356769 323083816 /nfs/dbraw/zinc/08/38/16/323083816.db2.gz BPLKXUSOSGIADF-LBPRGKRZSA-N 0 0 245.288 3.878 20 0 BHADRN C/C=C/c1ccc(NC(=O)N2CC[C@@H](C)C2)cc1 ZINC000497361251 397881435 /nfs/dbraw/zinc/88/14/35/397881435.db2.gz CITCGGMUVFGIIG-AAOUONPWSA-N 0 0 244.338 3.593 20 0 BHADRN C/C=C\c1ccc(NC(=O)N2CC[C@H](C)C2)cc1 ZINC000497361264 397881510 /nfs/dbraw/zinc/88/15/10/397881510.db2.gz CITCGGMUVFGIIG-MVZIDQBPSA-N 0 0 244.338 3.593 20 0 BHADRN C/C=C/c1ccc(NC(=O)N2CC[C@H](C)C2)cc1 ZINC000497361266 397881299 /nfs/dbraw/zinc/88/12/99/397881299.db2.gz CITCGGMUVFGIIG-PCAWENJQSA-N 0 0 244.338 3.593 20 0 BHADRN C/C=C\c1ccc(NC(=O)N2CC[C@@H](C)C2)cc1 ZINC000497361267 526339363 /nfs/dbraw/zinc/33/93/63/526339363.db2.gz CITCGGMUVFGIIG-VSQXVHSFSA-N 0 0 244.338 3.593 20 0 BHADRN C/C=C/c1ccc(NC(=O)NCC(C)(C)C)cc1 ZINC000497361398 397881250 /nfs/dbraw/zinc/88/12/50/397881250.db2.gz CSFNEXSSRJONLD-AATRIKPKSA-N 0 0 246.354 3.887 20 0 BHADRN C/C=C\c1ccc(NC(=O)NCC(C)(C)C)cc1 ZINC000497361409 397881382 /nfs/dbraw/zinc/88/13/82/397881382.db2.gz CSFNEXSSRJONLD-WAYWQWQTSA-N 0 0 246.354 3.887 20 0 BHADRN C/C=C\c1ccc(NC(=O)NCC=C(C)C)cc1 ZINC000497364581 526340361 /nfs/dbraw/zinc/34/03/61/526340361.db2.gz IUMRXBIXBIIFCQ-PLNGDYQASA-N 0 0 244.338 3.807 20 0 BHADRN C/C=C/c1ccc(NC(=O)NCC=C(C)C)cc1 ZINC000497364583 385004868 /nfs/dbraw/zinc/00/48/68/385004868.db2.gz IUMRXBIXBIIFCQ-SNAWJCMRSA-N 0 0 244.338 3.807 20 0 BHADRN CC1(C)CC(CC(=O)N[C@@H]2CC23CCCCC3)C1 ZINC000497369765 385010443 /nfs/dbraw/zinc/01/04/43/385010443.db2.gz UWTKSEHGJZGFEJ-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CC(CC(=O)N[C@H]2CC23CCCCC3)C1 ZINC000497369771 385011959 /nfs/dbraw/zinc/01/19/59/385011959.db2.gz UWTKSEHGJZGFEJ-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)(CC(=O)N[C@@H]1CC12CCCCC2)C1CC1 ZINC000497370466 385014103 /nfs/dbraw/zinc/01/41/03/385014103.db2.gz WDMCWVDVAMRUNG-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)(CC(=O)N[C@H]1CC12CCCCC2)C1CC1 ZINC000497370470 385015015 /nfs/dbraw/zinc/01/50/15/385015015.db2.gz WDMCWVDVAMRUNG-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN C/C=C/c1ccc(NC(=O)NCC2CCC2)cc1 ZINC000497375782 385017045 /nfs/dbraw/zinc/01/70/45/385017045.db2.gz CMYAUAUHIXGAML-DUXPYHPUSA-N 0 0 244.338 3.641 20 0 BHADRN C/C=C\c1ccc(NC(=O)NCC2CCC2)cc1 ZINC000497375783 385018215 /nfs/dbraw/zinc/01/82/15/385018215.db2.gz CMYAUAUHIXGAML-RQOWECAXSA-N 0 0 244.338 3.641 20 0 BHADRN C/C=C\c1ccc(NC(=O)N[C@@H]2CC[C@@H]2C)cc1 ZINC000497375910 385017239 /nfs/dbraw/zinc/01/72/39/385017239.db2.gz DYPBKJDMTLFMLO-FFIQWJHNSA-N 0 0 244.338 3.640 20 0 BHADRN C/C=C/c1ccc(NC(=O)N[C@@H]2CC[C@@H]2C)cc1 ZINC000497375911 385018578 /nfs/dbraw/zinc/01/85/78/385018578.db2.gz DYPBKJDMTLFMLO-FSHFUFFASA-N 0 0 244.338 3.640 20 0 BHADRN C/C=C\c1ccc(NC(=O)N[C@@H]2CC[C@H]2C)cc1 ZINC000497375912 385018205 /nfs/dbraw/zinc/01/82/05/385018205.db2.gz DYPBKJDMTLFMLO-LAPROLRISA-N 0 0 244.338 3.640 20 0 BHADRN C/C=C/c1ccc(NC(=O)N[C@@H]2CC[C@H]2C)cc1 ZINC000497375913 526304509 /nfs/dbraw/zinc/30/45/09/526304509.db2.gz DYPBKJDMTLFMLO-UUSVCDRXSA-N 0 0 244.338 3.640 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(CC)C2CC2)cc1 ZINC000497382867 385031463 /nfs/dbraw/zinc/03/14/63/385031463.db2.gz FIHZDCILVOHRBZ-HWKANZROSA-N 0 0 244.338 3.736 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(CC)C2CC2)cc1 ZINC000497382869 526339924 /nfs/dbraw/zinc/33/99/24/526339924.db2.gz FIHZDCILVOHRBZ-HYXAFXHYSA-N 0 0 244.338 3.736 20 0 BHADRN Cc1ccccc1[C@H](C)N(C)C(=O)CC(C)(C)C ZINC000497383979 385023712 /nfs/dbraw/zinc/02/37/12/385023712.db2.gz IZVHTSLMGSYGAC-ZDUSSCGKSA-N 0 0 247.382 3.951 20 0 BHADRN Cc1ccccc1[C@@H](C)N(C)C(=O)CC(C)C ZINC000497384002 224659232 /nfs/dbraw/zinc/65/92/32/224659232.db2.gz JDCUPYUUWWNOAB-CYBMUJFWSA-N 0 0 233.355 3.561 20 0 BHADRN Cc1ccccc1[C@H](C)N(C)C(=O)CC(C)C ZINC000497384004 385023724 /nfs/dbraw/zinc/02/37/24/385023724.db2.gz JDCUPYUUWWNOAB-ZDUSSCGKSA-N 0 0 233.355 3.561 20 0 BHADRN Cc1ccccc1[C@@H](C)N(C)C(=O)CCC(C)C ZINC000497386463 385027456 /nfs/dbraw/zinc/02/74/56/385027456.db2.gz KNKMKRBDDOOOFT-CQSZACIVSA-N 0 0 247.382 3.951 20 0 BHADRN C/C=C/c1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000497391745 385031106 /nfs/dbraw/zinc/03/11/06/385031106.db2.gz REDVECUERXWGRZ-AATRIKPKSA-N 0 0 232.327 3.640 20 0 BHADRN C/C=C\c1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000497391746 517312701 /nfs/dbraw/zinc/31/27/01/517312701.db2.gz REDVECUERXWGRZ-WAYWQWQTSA-N 0 0 232.327 3.640 20 0 BHADRN Cc1ccc([C@H](C)N(C)C(=O)CC(C)C)c(C)c1 ZINC000497392258 385035734 /nfs/dbraw/zinc/03/57/34/385035734.db2.gz RTSKBKCYZZJZAR-AWEZNQCLSA-N 0 0 247.382 3.869 20 0 BHADRN Cc1ccc([C@@H](C)N(C)C(=O)CC(C)C)c(C)c1 ZINC000497392259 224659653 /nfs/dbraw/zinc/65/96/53/224659653.db2.gz RTSKBKCYZZJZAR-CQSZACIVSA-N 0 0 247.382 3.869 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(C)CCC)cc1 ZINC000497394701 397883025 /nfs/dbraw/zinc/88/30/25/397883025.db2.gz YKIZGKVWVFVBJS-GQCTYLIASA-N 0 0 232.327 3.593 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(C)CCC)cc1 ZINC000497394702 397882918 /nfs/dbraw/zinc/88/29/18/397882918.db2.gz YKIZGKVWVFVBJS-XQRVVYSFSA-N 0 0 232.327 3.593 20 0 BHADRN C/C=C/c1ccc(NC(=O)N[C@H](C)CC)cc1 ZINC000497396014 385041051 /nfs/dbraw/zinc/04/10/51/385041051.db2.gz QLKAMYDIOHOYPS-DUMNWFOQSA-N 0 0 232.327 3.640 20 0 BHADRN C/C=C/c1ccc(NC(=O)N[C@@H](C)CC)cc1 ZINC000497396015 385041438 /nfs/dbraw/zinc/04/14/38/385041438.db2.gz QLKAMYDIOHOYPS-MALLOTDXSA-N 0 0 232.327 3.640 20 0 BHADRN C/C=C\c1ccc(NC(=O)N[C@@H](C)CC)cc1 ZINC000497396016 526340373 /nfs/dbraw/zinc/34/03/73/526340373.db2.gz QLKAMYDIOHOYPS-QZPNVGJNSA-N 0 0 232.327 3.640 20 0 BHADRN C/C=C\c1ccc(NC(=O)N[C@H](C)CC)cc1 ZINC000497396017 385041264 /nfs/dbraw/zinc/04/12/64/385041264.db2.gz QLKAMYDIOHOYPS-VLWUPBBWSA-N 0 0 232.327 3.640 20 0 BHADRN C/C=C\c1ccc(NC(=O)NCCC(C)C)cc1 ZINC000497396224 385039998 /nfs/dbraw/zinc/03/99/98/385039998.db2.gz KMUCRANTBXFYQA-PLNGDYQASA-N 0 0 246.354 3.887 20 0 BHADRN C/C=C/c1ccc(NC(=O)NCCC(C)C)cc1 ZINC000497396229 385042252 /nfs/dbraw/zinc/04/22/52/385042252.db2.gz KMUCRANTBXFYQA-SNAWJCMRSA-N 0 0 246.354 3.887 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(C)[C@H](C)CC)cc1 ZINC000497396644 385040483 /nfs/dbraw/zinc/04/04/83/385040483.db2.gz WJVGQJDSBPNNIV-HOSRBBHYSA-N 0 0 246.354 3.982 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(C)[C@@H](C)CC)cc1 ZINC000497396645 385040175 /nfs/dbraw/zinc/04/01/75/385040175.db2.gz WJVGQJDSBPNNIV-HWPRWLFBSA-N 0 0 246.354 3.982 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(C)[C@@H](C)CC)cc1 ZINC000497396646 385041946 /nfs/dbraw/zinc/04/19/46/385041946.db2.gz WJVGQJDSBPNNIV-PZBABLGHSA-N 0 0 246.354 3.982 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(C)[C@H](C)CC)cc1 ZINC000497396647 385040736 /nfs/dbraw/zinc/04/07/36/385040736.db2.gz WJVGQJDSBPNNIV-SMYYYNMVSA-N 0 0 246.354 3.982 20 0 BHADRN CCC[C@H](C)CC(=O)N(CC)Cc1ccccc1 ZINC000497399586 385046581 /nfs/dbraw/zinc/04/65/81/385046581.db2.gz BOFMKIMOJKGVCT-AWEZNQCLSA-N 0 0 247.382 3.861 20 0 BHADRN CCC[C@@H](C)CC(=O)N(CC)Cc1ccccc1 ZINC000497399587 385046047 /nfs/dbraw/zinc/04/60/47/385046047.db2.gz BOFMKIMOJKGVCT-CQSZACIVSA-N 0 0 247.382 3.861 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2F)C1 ZINC000497400992 385047749 /nfs/dbraw/zinc/04/77/49/385047749.db2.gz KQYILNSMVFRPNG-NEPJUHHUSA-N 0 0 249.329 3.981 20 0 BHADRN C[C@H]1CCC[C@@H](CC(=O)Nc2ccccc2F)C1 ZINC000497400996 385050049 /nfs/dbraw/zinc/05/00/49/385050049.db2.gz KQYILNSMVFRPNG-NWDGAFQWSA-N 0 0 249.329 3.981 20 0 BHADRN C[C@H]1CCC[C@H](CC(=O)Nc2ccccc2F)C1 ZINC000497400998 385047979 /nfs/dbraw/zinc/04/79/79/385047979.db2.gz KQYILNSMVFRPNG-RYUDHWBXSA-N 0 0 249.329 3.981 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2F)C1 ZINC000497400999 385049759 /nfs/dbraw/zinc/04/97/59/385049759.db2.gz KQYILNSMVFRPNG-VXGBXAGGSA-N 0 0 249.329 3.981 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(C)CC(C)C)cc1 ZINC000497407484 526300606 /nfs/dbraw/zinc/30/06/06/526300606.db2.gz UOYKGRUADMMPIE-AATRIKPKSA-N 0 0 246.354 3.839 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(C)CC(C)C)cc1 ZINC000497407485 385054557 /nfs/dbraw/zinc/05/45/57/385054557.db2.gz UOYKGRUADMMPIE-WAYWQWQTSA-N 0 0 246.354 3.839 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(F)cc2)C1 ZINC000497410371 385057899 /nfs/dbraw/zinc/05/78/99/385057899.db2.gz FUTSJNZZULHIPQ-NEPJUHHUSA-N 0 0 249.329 3.981 20 0 BHADRN C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(F)cc2)C1 ZINC000497410373 385058586 /nfs/dbraw/zinc/05/85/86/385058586.db2.gz FUTSJNZZULHIPQ-NWDGAFQWSA-N 0 0 249.329 3.981 20 0 BHADRN C[C@H]1CCC[C@H](CC(=O)Nc2ccc(F)cc2)C1 ZINC000497410374 385060458 /nfs/dbraw/zinc/06/04/58/385060458.db2.gz FUTSJNZZULHIPQ-RYUDHWBXSA-N 0 0 249.329 3.981 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(F)cc2)C1 ZINC000497410375 533741262 /nfs/dbraw/zinc/74/12/62/533741262.db2.gz FUTSJNZZULHIPQ-VXGBXAGGSA-N 0 0 249.329 3.981 20 0 BHADRN C/C=C\c1ccc(NC(=O)NC2CC(C)C2)cc1 ZINC000497412849 385053960 /nfs/dbraw/zinc/05/39/60/385053960.db2.gz WBLHJRNLHSKMEB-ARJAWSKDSA-N 0 0 244.338 3.640 20 0 BHADRN C/C=C/c1ccc(NC(=O)NC2CC(C)C2)cc1 ZINC000497412850 385055157 /nfs/dbraw/zinc/05/51/57/385055157.db2.gz WBLHJRNLHSKMEB-ONEGZZNKSA-N 0 0 244.338 3.640 20 0 BHADRN C/C=C\c1ccc(NC(=O)NC2CCCC2)cc1 ZINC000497413252 385056024 /nfs/dbraw/zinc/05/60/24/385056024.db2.gz ALMMRVQGHYLDBW-DJWKRKHSSA-N 0 0 244.338 3.784 20 0 BHADRN C/C=C/c1ccc(NC(=O)NC2CCCC2)cc1 ZINC000497413254 385056758 /nfs/dbraw/zinc/05/67/58/385056758.db2.gz ALMMRVQGHYLDBW-GORDUTHDSA-N 0 0 244.338 3.784 20 0 BHADRN C/C=C/c1ccc(NC(=O)N[C@@H]2C[C@H]2CC)cc1 ZINC000497418833 385061325 /nfs/dbraw/zinc/06/13/25/385061325.db2.gz OTBLVJUWZMQELA-CLDOCUBWSA-N 0 0 244.338 3.640 20 0 BHADRN C/C=C\c1ccc(NC(=O)N[C@@H]2C[C@H]2CC)cc1 ZINC000497418834 385062876 /nfs/dbraw/zinc/06/28/76/385062876.db2.gz OTBLVJUWZMQELA-MOBDVTQCSA-N 0 0 244.338 3.640 20 0 BHADRN C/C=C\c1ccc(NC(=O)N2CCC[C@@H]2C)cc1 ZINC000497422218 385068235 /nfs/dbraw/zinc/06/82/35/385068235.db2.gz MDHFAJJNWOVLJT-FHMRSRPSSA-N 0 0 244.338 3.736 20 0 BHADRN C/C=C\c1ccc(NC(=O)N2CCC[C@H]2C)cc1 ZINC000497422219 526340118 /nfs/dbraw/zinc/34/01/18/526340118.db2.gz MDHFAJJNWOVLJT-KTLBGCOUSA-N 0 0 244.338 3.736 20 0 BHADRN C/C=C/c1ccc(NC(=O)N2CCC[C@H]2C)cc1 ZINC000497422220 526302407 /nfs/dbraw/zinc/30/24/07/526302407.db2.gz MDHFAJJNWOVLJT-OGOUPESXSA-N 0 0 244.338 3.736 20 0 BHADRN C/C=C/c1ccc(NC(=O)N2CCC[C@@H]2C)cc1 ZINC000497422221 385067956 /nfs/dbraw/zinc/06/79/56/385067956.db2.gz MDHFAJJNWOVLJT-PYEVWLCESA-N 0 0 244.338 3.736 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(CC)C(C)C)cc1 ZINC000497423988 385069314 /nfs/dbraw/zinc/06/93/14/385069314.db2.gz ALAQNLPDZJFJBR-ALCCZGGFSA-N 0 0 246.354 3.982 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(CC)C(C)C)cc1 ZINC000497423989 526301002 /nfs/dbraw/zinc/30/10/02/526301002.db2.gz ALAQNLPDZJFJBR-FNORWQNLSA-N 0 0 246.354 3.982 20 0 BHADRN C/C=C\c1ccc(NC(=O)N(C)CC2CC2)cc1 ZINC000497432978 385080489 /nfs/dbraw/zinc/08/04/89/385080489.db2.gz UYPZYBSOUUJTJF-ARJAWSKDSA-N 0 0 244.338 3.593 20 0 BHADRN C/C=C/c1ccc(NC(=O)N(C)CC2CC2)cc1 ZINC000497432979 526301433 /nfs/dbraw/zinc/30/14/33/526301433.db2.gz UYPZYBSOUUJTJF-ONEGZZNKSA-N 0 0 244.338 3.593 20 0 BHADRN C/C=C/c1ccc(NC(=O)N[C@H](C)C(C)C)cc1 ZINC000497450429 385098194 /nfs/dbraw/zinc/09/81/94/385098194.db2.gz LSIHMCJKQSOLPE-BTDICHCPSA-N 0 0 246.354 3.886 20 0 BHADRN C/C=C\c1ccc(NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000497450430 526340758 /nfs/dbraw/zinc/34/07/58/526340758.db2.gz LSIHMCJKQSOLPE-FJOGCWAESA-N 0 0 246.354 3.886 20 0 BHADRN C/C=C\c1ccc(NC(=O)N[C@H](C)C(C)C)cc1 ZINC000497450431 526340349 /nfs/dbraw/zinc/34/03/49/526340349.db2.gz LSIHMCJKQSOLPE-FOQNGQEVSA-N 0 0 246.354 3.886 20 0 BHADRN C/C=C/c1ccc(NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000497450432 385097782 /nfs/dbraw/zinc/09/77/82/385097782.db2.gz LSIHMCJKQSOLPE-FYJFLYSWSA-N 0 0 246.354 3.886 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccccc1C ZINC000497456883 528877092 /nfs/dbraw/zinc/87/70/92/528877092.db2.gz AKZSTQPUFNYEQM-LLVKDONJSA-N 0 0 219.328 3.760 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccccc1C ZINC000497456895 528031145 /nfs/dbraw/zinc/03/11/45/528031145.db2.gz AKZSTQPUFNYEQM-NSHDSACASA-N 0 0 219.328 3.760 20 0 BHADRN CSc1ccc(N(C)CC(C)C)cc1 ZINC000497457206 385104778 /nfs/dbraw/zinc/10/47/78/385104778.db2.gz DDNUORHQLWYLTB-UHFFFAOYSA-N 0 0 209.358 3.501 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1cc(F)ccc1C ZINC000497489821 385132821 /nfs/dbraw/zinc/13/28/21/385132821.db2.gz RNTJAPMYJADWSV-JTQLQIEISA-N 0 0 237.318 3.899 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1cc(F)ccc1C ZINC000497489828 385136789 /nfs/dbraw/zinc/13/67/89/385136789.db2.gz RNTJAPMYJADWSV-SNVBAGLBSA-N 0 0 237.318 3.899 20 0 BHADRN CC(C)OC(=O)C(C)(C)CCCc1ccccc1 ZINC000497503793 385146465 /nfs/dbraw/zinc/14/64/65/385146465.db2.gz BCGCZWMDGRTFPS-UHFFFAOYSA-N 0 0 248.366 3.987 20 0 BHADRN CCCSCc1cccc(OC(F)F)c1 ZINC000497508477 385150318 /nfs/dbraw/zinc/15/03/18/385150318.db2.gz IFZMQIYQGFLBSH-UHFFFAOYSA-N 0 0 232.295 3.931 20 0 BHADRN CCCCN(CC)C(=O)c1ccc(CCC)cc1 ZINC000497514532 385159047 /nfs/dbraw/zinc/15/90/47/385159047.db2.gz HEACCIJOUNQZOG-UHFFFAOYSA-N 0 0 247.382 3.901 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H](C)CCC(C)C ZINC000497517145 385161148 /nfs/dbraw/zinc/16/11/48/385161148.db2.gz RGPPQCQHDDNLHI-CHWSQXEVSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@@H](C)CCC(C)C ZINC000497517146 528874765 /nfs/dbraw/zinc/87/47/65/528874765.db2.gz RGPPQCQHDDNLHI-OLZOCXBDSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H](C)CCC(C)C ZINC000497517147 385161288 /nfs/dbraw/zinc/16/12/88/385161288.db2.gz RGPPQCQHDDNLHI-QWHCGFSZSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H](C)CCC(C)C ZINC000497517148 385161958 /nfs/dbraw/zinc/16/19/58/385161958.db2.gz RGPPQCQHDDNLHI-STQMWFEESA-N 0 0 227.392 3.754 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)[C@H](C)C(C)C ZINC000497527205 527705498 /nfs/dbraw/zinc/70/54/98/527705498.db2.gz RBGXIHJVGLJTEP-CHWSQXEVSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)[C@@H](C)C(C)C ZINC000497527207 385162699 /nfs/dbraw/zinc/16/26/99/385162699.db2.gz RBGXIHJVGLJTEP-OLZOCXBDSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@H](C)C(C)C ZINC000497527208 385161304 /nfs/dbraw/zinc/16/13/04/385161304.db2.gz RBGXIHJVGLJTEP-QWHCGFSZSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@@H](C)C(C)C ZINC000497527210 527706287 /nfs/dbraw/zinc/70/62/87/527706287.db2.gz RBGXIHJVGLJTEP-STQMWFEESA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000497530498 528382894 /nfs/dbraw/zinc/38/28/94/528382894.db2.gz DEOOGJUVRKAQPR-MRVPVSSYSA-N 0 0 243.709 3.710 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000497530500 528937008 /nfs/dbraw/zinc/93/70/08/528937008.db2.gz DEOOGJUVRKAQPR-QMMMGPOBSA-N 0 0 243.709 3.710 20 0 BHADRN CCCCN(CC)C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000497531729 528387203 /nfs/dbraw/zinc/38/72/03/528387203.db2.gz BFGBYBGCTAMJRM-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CC)C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000497531735 528387150 /nfs/dbraw/zinc/38/71/50/528387150.db2.gz BFGBYBGCTAMJRM-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CC)C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000497531737 385172985 /nfs/dbraw/zinc/17/29/85/385172985.db2.gz BFGBYBGCTAMJRM-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CC)C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000497531738 528386973 /nfs/dbraw/zinc/38/69/73/528386973.db2.gz BFGBYBGCTAMJRM-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)C(C)C)cc1Cl ZINC000497533381 224664309 /nfs/dbraw/zinc/66/43/09/224664309.db2.gz ASNQBHPMGJPIEL-JTQLQIEISA-N 0 0 239.746 3.879 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)C(C)C)cc1Cl ZINC000497533398 385169059 /nfs/dbraw/zinc/16/90/59/385169059.db2.gz ASNQBHPMGJPIEL-SNVBAGLBSA-N 0 0 239.746 3.879 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ccccc1OCC ZINC000497535858 385169097 /nfs/dbraw/zinc/16/90/97/385169097.db2.gz VJSHGBREDNBFME-GFCCVEGCSA-N 0 0 249.354 3.850 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ccccc1OCC ZINC000497535867 385170807 /nfs/dbraw/zinc/17/08/07/385170807.db2.gz VJSHGBREDNBFME-LBPRGKRZSA-N 0 0 249.354 3.850 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)CC(C)(C)C1CC1 ZINC000497540543 323084100 /nfs/dbraw/zinc/08/41/00/323084100.db2.gz ARLRSDRQTPPTAO-AAEUAGOBSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)CC(C)(C)C1CC1 ZINC000497540546 323084043 /nfs/dbraw/zinc/08/40/43/323084043.db2.gz ARLRSDRQTPPTAO-DGCLKSJQSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)CC(C)(C)C1CC1 ZINC000497540548 323084112 /nfs/dbraw/zinc/08/41/12/323084112.db2.gz ARLRSDRQTPPTAO-WCQYABFASA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)CC(C)(C)C1CC1 ZINC000497540549 323084025 /nfs/dbraw/zinc/08/40/25/323084025.db2.gz ARLRSDRQTPPTAO-YPMHNXCESA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CC2CCC1CC2 ZINC000497544751 529337675 /nfs/dbraw/zinc/33/76/75/529337675.db2.gz ZWAXAEPYHNMUTR-BZTHDZJNSA-N 0 0 249.398 3.602 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CC2CCC1CC2 ZINC000497544754 385174282 /nfs/dbraw/zinc/17/42/82/385174282.db2.gz ZWAXAEPYHNMUTR-HTXSYXIBSA-N 0 0 249.398 3.602 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CC2CCC1CC2 ZINC000497544755 385173259 /nfs/dbraw/zinc/17/32/59/385173259.db2.gz ZWAXAEPYHNMUTR-RUOPDXTDSA-N 0 0 249.398 3.602 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CC2CCC1CC2 ZINC000497544756 529343059 /nfs/dbraw/zinc/34/30/59/529343059.db2.gz ZWAXAEPYHNMUTR-RYKAKRHSSA-N 0 0 249.398 3.602 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1cccc2c1CCCC2 ZINC000497548495 323084111 /nfs/dbraw/zinc/08/41/11/323084111.db2.gz YWYMJVIEXFQPRH-GFCCVEGCSA-N 0 0 245.366 3.796 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1cccc2c1CCCC2 ZINC000497548496 323084058 /nfs/dbraw/zinc/08/40/58/323084058.db2.gz YWYMJVIEXFQPRH-LBPRGKRZSA-N 0 0 245.366 3.796 20 0 BHADRN CC[C@@H](NC(=O)[C@@H](C)C(C)C)c1ccc(C)cc1 ZINC000497552508 256612255 /nfs/dbraw/zinc/61/22/55/256612255.db2.gz CPRXPKPVJBWEDD-DZGCQCFKSA-N 0 0 247.382 3.854 20 0 BHADRN CC[C@H](NC(=O)[C@H](C)C(C)C)c1ccc(C)cc1 ZINC000497552509 385179630 /nfs/dbraw/zinc/17/96/30/385179630.db2.gz CPRXPKPVJBWEDD-HIFRSBDPSA-N 0 0 247.382 3.854 20 0 BHADRN CC[C@@H](NC(=O)[C@H](C)C(C)C)c1ccc(C)cc1 ZINC000497552510 256612373 /nfs/dbraw/zinc/61/23/73/256612373.db2.gz CPRXPKPVJBWEDD-UKRRQHHQSA-N 0 0 247.382 3.854 20 0 BHADRN CC[C@H](NC(=O)[C@@H](C)C(C)C)c1ccc(C)cc1 ZINC000497552511 256612310 /nfs/dbraw/zinc/61/23/10/256612310.db2.gz CPRXPKPVJBWEDD-ZFWWWQNUSA-N 0 0 247.382 3.854 20 0 BHADRN Cc1ccc(C)c(CSCC(F)F)c1 ZINC000497557723 256612222 /nfs/dbraw/zinc/61/22/22/256612222.db2.gz YHBNKOVJXGXDKQ-UHFFFAOYSA-N 0 0 216.296 3.802 20 0 BHADRN CC(C)[C@@H](NC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000497559706 256612220 /nfs/dbraw/zinc/61/22/20/256612220.db2.gz KRTKLTNYMQVRSK-DZGCQCFKSA-N 0 0 247.382 3.792 20 0 BHADRN CC(C)[C@@H](C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000497559707 256612365 /nfs/dbraw/zinc/61/23/65/256612365.db2.gz KRTKLTNYMQVRSK-HIFRSBDPSA-N 0 0 247.382 3.792 20 0 BHADRN CC(C)[C@@H](C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000497559708 385183198 /nfs/dbraw/zinc/18/31/98/385183198.db2.gz KRTKLTNYMQVRSK-UKRRQHHQSA-N 0 0 247.382 3.792 20 0 BHADRN CC(C)[C@H](C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000497559709 385183645 /nfs/dbraw/zinc/18/36/45/385183645.db2.gz KRTKLTNYMQVRSK-ZFWWWQNUSA-N 0 0 247.382 3.792 20 0 BHADRN Cc1cccc2c1N(C(=O)[C@H](C)C(C)C)CCC2 ZINC000497560434 256612230 /nfs/dbraw/zinc/61/22/30/256612230.db2.gz SCELSVIIVSQTBM-CYBMUJFWSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1cccc2c1N(C(=O)[C@@H](C)C(C)C)CCC2 ZINC000497560435 256612254 /nfs/dbraw/zinc/61/22/54/256612254.db2.gz SCELSVIIVSQTBM-ZDUSSCGKSA-N 0 0 245.366 3.566 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)[C@H](C)CC(C)(C)C ZINC000497561692 529318237 /nfs/dbraw/zinc/31/82/37/529318237.db2.gz LLRHMGUZRNAXKP-CHWSQXEVSA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)[C@@H](C)CC(C)(C)C ZINC000497561693 385192220 /nfs/dbraw/zinc/19/22/20/385192220.db2.gz LLRHMGUZRNAXKP-OLZOCXBDSA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)[C@H](C)CC(C)(C)C ZINC000497561694 529656591 /nfs/dbraw/zinc/65/65/91/529656591.db2.gz LLRHMGUZRNAXKP-QWHCGFSZSA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)[C@@H](C)CC(C)(C)C ZINC000497561695 385190963 /nfs/dbraw/zinc/19/09/63/385190963.db2.gz LLRHMGUZRNAXKP-STQMWFEESA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)[C@H]1CCCC1(C)C ZINC000497561850 385184074 /nfs/dbraw/zinc/18/40/74/385184074.db2.gz OHYKEBJSPYYSTH-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)[C@@H]1CCCC1(C)C ZINC000497561851 385185148 /nfs/dbraw/zinc/18/51/48/385185148.db2.gz OHYKEBJSPYYSTH-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)[C@H]1CCCC1(C)C ZINC000497561852 385184599 /nfs/dbraw/zinc/18/45/99/385184599.db2.gz OHYKEBJSPYYSTH-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)[C@@H]1CCCC1(C)C ZINC000497561853 385183137 /nfs/dbraw/zinc/18/31/37/385183137.db2.gz OHYKEBJSPYYSTH-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H](NC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000497563216 385188210 /nfs/dbraw/zinc/18/82/10/385188210.db2.gz JXYBUSRSHHAWEA-DZGCQCFKSA-N 0 0 247.382 3.936 20 0 BHADRN CCC[C@H](NC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC000497563217 385186941 /nfs/dbraw/zinc/18/69/41/385186941.db2.gz JXYBUSRSHHAWEA-HIFRSBDPSA-N 0 0 247.382 3.936 20 0 BHADRN CCC[C@@H](NC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC000497563218 385188857 /nfs/dbraw/zinc/18/88/57/385188857.db2.gz JXYBUSRSHHAWEA-UKRRQHHQSA-N 0 0 247.382 3.936 20 0 BHADRN CCC[C@H](NC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000497563219 256612381 /nfs/dbraw/zinc/61/23/81/256612381.db2.gz JXYBUSRSHHAWEA-ZFWWWQNUSA-N 0 0 247.382 3.936 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@H](C)CC(C)(C)C)C1 ZINC000497565130 385188749 /nfs/dbraw/zinc/18/87/49/385188749.db2.gz XOJIOQXVDXSTFS-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H]1CCCN(C(=O)[C@H](C)CC(C)(C)C)C1 ZINC000497565131 385187093 /nfs/dbraw/zinc/18/70/93/385187093.db2.gz XOJIOQXVDXSTFS-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@@H](C)CC(C)(C)C)C1 ZINC000497565132 385187397 /nfs/dbraw/zinc/18/73/97/385187397.db2.gz XOJIOQXVDXSTFS-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H]1CCCN(C(=O)[C@@H](C)CC(C)(C)C)C1 ZINC000497565133 529215379 /nfs/dbraw/zinc/21/53/79/529215379.db2.gz XOJIOQXVDXSTFS-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN CCCCN(CCCC)C(=O)[C@H](C)C(C)C ZINC000497576038 347315225 /nfs/dbraw/zinc/31/52/25/347315225.db2.gz ZLCKXCXDKZVFFI-CYBMUJFWSA-N 0 0 227.392 3.707 20 0 BHADRN CCCCN(CCCC)C(=O)[C@@H](C)C(C)C ZINC000497576039 347316030 /nfs/dbraw/zinc/31/60/30/347316030.db2.gz ZLCKXCXDKZVFFI-ZDUSSCGKSA-N 0 0 227.392 3.707 20 0 BHADRN Cc1ccccc1SCc1nc(C(C)C)no1 ZINC000497576294 347316148 /nfs/dbraw/zinc/31/61/48/347316148.db2.gz FPEYYBUIKQSEMN-UHFFFAOYSA-N 0 0 248.351 3.794 20 0 BHADRN Cc1cc(C)c(CNC(=O)[C@@H](C)C(C)C)c(C)c1 ZINC000497580227 347315037 /nfs/dbraw/zinc/31/50/37/347315037.db2.gz YUTAVKUDHGNAKJ-AWEZNQCLSA-N 0 0 247.382 3.520 20 0 BHADRN Cc1cc(C)c(CNC(=O)[C@H](C)C(C)C)c(C)c1 ZINC000497580228 347315355 /nfs/dbraw/zinc/31/53/55/347315355.db2.gz YUTAVKUDHGNAKJ-CQSZACIVSA-N 0 0 247.382 3.520 20 0 BHADRN CCC1CCC(N(C)C(=O)[C@@H](C)C(C)C)CC1 ZINC000497581468 347315029 /nfs/dbraw/zinc/31/50/29/347315029.db2.gz CAGLVNXLLOLUAG-HSBZDZAISA-N 0 0 239.403 3.706 20 0 BHADRN CCC1CCC(N(C)C(=O)[C@H](C)C(C)C)CC1 ZINC000497581469 347315390 /nfs/dbraw/zinc/31/53/90/347315390.db2.gz CAGLVNXLLOLUAG-IYXRBSQSSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)c1ccc(CNC(=O)[C@H](C)C(C)C)cc1 ZINC000497583300 259385780 /nfs/dbraw/zinc/38/57/80/259385780.db2.gz WUXSVYIULILAKK-CYBMUJFWSA-N 0 0 247.382 3.718 20 0 BHADRN CC(C)c1ccc(CNC(=O)[C@@H](C)C(C)C)cc1 ZINC000497583301 259385861 /nfs/dbraw/zinc/38/58/61/259385861.db2.gz WUXSVYIULILAKK-ZDUSSCGKSA-N 0 0 247.382 3.718 20 0 BHADRN CCN(C(=O)[C@H](C)C(C)C)c1cccc(C)c1 ZINC000497583473 259385585 /nfs/dbraw/zinc/38/55/85/259385585.db2.gz YLDALHDDTNPYIZ-CYBMUJFWSA-N 0 0 233.355 3.640 20 0 BHADRN CCN(C(=O)[C@@H](C)C(C)C)c1cccc(C)c1 ZINC000497583474 259385750 /nfs/dbraw/zinc/38/57/50/259385750.db2.gz YLDALHDDTNPYIZ-ZDUSSCGKSA-N 0 0 233.355 3.640 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000497593717 385208792 /nfs/dbraw/zinc/20/87/92/385208792.db2.gz HWQNJLNGXUJKHP-SECBINFHSA-N 0 0 241.281 3.730 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000497593718 385208826 /nfs/dbraw/zinc/20/88/26/385208826.db2.gz HWQNJLNGXUJKHP-VIFPVBQESA-N 0 0 241.281 3.730 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000497610391 528029973 /nfs/dbraw/zinc/02/99/73/528029973.db2.gz HBMHNXPVANARRC-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000497610400 385226512 /nfs/dbraw/zinc/22/65/12/385226512.db2.gz HBMHNXPVANARRC-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000497610404 385225704 /nfs/dbraw/zinc/22/57/04/385225704.db2.gz HBMHNXPVANARRC-XQQFMLRXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000497610408 385225957 /nfs/dbraw/zinc/22/59/57/385225957.db2.gz HBMHNXPVANARRC-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)NC[C@H](C)c1ccccc1 ZINC000497621963 528028455 /nfs/dbraw/zinc/02/84/55/528028455.db2.gz YKVJJYQDYADZPH-KBPBESRZSA-N 0 0 247.382 3.733 20 0 BHADRN CCC[C@@H](C)CC(=O)NC[C@H](C)c1ccccc1 ZINC000497621964 385239097 /nfs/dbraw/zinc/23/90/97/385239097.db2.gz YKVJJYQDYADZPH-KGLIPLIRSA-N 0 0 247.382 3.733 20 0 BHADRN CCC[C@H](C)CC(=O)NC[C@@H](C)c1ccccc1 ZINC000497621965 385239672 /nfs/dbraw/zinc/23/96/72/385239672.db2.gz YKVJJYQDYADZPH-UONOGXRCSA-N 0 0 247.382 3.733 20 0 BHADRN CCC[C@@H](C)CC(=O)NC[C@@H](C)c1ccccc1 ZINC000497621967 385239894 /nfs/dbraw/zinc/23/98/94/385239894.db2.gz YKVJJYQDYADZPH-ZIAGYGMSSA-N 0 0 247.382 3.733 20 0 BHADRN FC(F)(F)CSc1ccc2c(c1)CCC2 ZINC000497685038 385286587 /nfs/dbraw/zinc/28/65/87/385286587.db2.gz AVDXDYGANICNMZ-UHFFFAOYSA-N 0 0 232.270 3.830 20 0 BHADRN CCOCCSc1ccc(F)c(Cl)c1 ZINC000497692340 385295280 /nfs/dbraw/zinc/29/52/80/385295280.db2.gz OXVFUDQSIJYORF-UHFFFAOYSA-N 0 0 234.723 3.608 20 0 BHADRN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3s2)C1 ZINC000497734966 385340607 /nfs/dbraw/zinc/34/06/07/385340607.db2.gz USGCKGBYSKGWLO-GHMZBOCLSA-N 0 0 246.379 3.779 20 0 BHADRN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3s2)C1 ZINC000497734968 385341813 /nfs/dbraw/zinc/34/18/13/385341813.db2.gz USGCKGBYSKGWLO-PHIMTYICSA-N 0 0 246.379 3.779 20 0 BHADRN C[C@H]1C[C@H](C)CN(c2nc3ccccc3s2)C1 ZINC000497734969 385341641 /nfs/dbraw/zinc/34/16/41/385341641.db2.gz USGCKGBYSKGWLO-QWRGUYRKSA-N 0 0 246.379 3.779 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000497745569 347370689 /nfs/dbraw/zinc/37/06/89/347370689.db2.gz HUWLKUXAIFMZAB-AGIUHOORSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000497745570 347370742 /nfs/dbraw/zinc/37/07/42/347370742.db2.gz HUWLKUXAIFMZAB-FRRDWIJNSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000497745572 347370672 /nfs/dbraw/zinc/37/06/72/347370672.db2.gz HUWLKUXAIFMZAB-JHJVBQTASA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000497745574 347370752 /nfs/dbraw/zinc/37/07/52/347370752.db2.gz HUWLKUXAIFMZAB-UPJWGTAASA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000497745631 347370730 /nfs/dbraw/zinc/37/07/30/347370730.db2.gz IKMJJZFLAIYKMO-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000497745633 347370699 /nfs/dbraw/zinc/37/06/99/347370699.db2.gz IKMJJZFLAIYKMO-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000497745635 347370724 /nfs/dbraw/zinc/37/07/24/347370724.db2.gz IKMJJZFLAIYKMO-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000497745636 411063243 /nfs/dbraw/zinc/06/32/43/411063243.db2.gz IKMJJZFLAIYKMO-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CCCC[C@H]1CC ZINC000497745647 411063287 /nfs/dbraw/zinc/06/32/87/411063287.db2.gz INPVIJRGJVCLFL-CHWSQXEVSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC(=O)N[C@H]1CCCC[C@H]1CC ZINC000497745648 411062137 /nfs/dbraw/zinc/06/21/37/411062137.db2.gz INPVIJRGJVCLFL-OLZOCXBDSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000497745650 528109572 /nfs/dbraw/zinc/10/95/72/528109572.db2.gz INPVIJRGJVCLFL-QWHCGFSZSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC(=O)N[C@H]1CCCC[C@@H]1CC ZINC000497745651 411062330 /nfs/dbraw/zinc/06/23/30/411062330.db2.gz INPVIJRGJVCLFL-STQMWFEESA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1CC ZINC000497751452 347371480 /nfs/dbraw/zinc/37/14/80/347371480.db2.gz QYXTYOIFAGWHOP-BFHYXJOUSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCCC[C@@H]1CC ZINC000497751453 347371255 /nfs/dbraw/zinc/37/12/55/347371255.db2.gz QYXTYOIFAGWHOP-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000497751454 347371124 /nfs/dbraw/zinc/37/11/24/347371124.db2.gz QYXTYOIFAGWHOP-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCCC[C@H]1CC ZINC000497751455 347371199 /nfs/dbraw/zinc/37/11/99/347371199.db2.gz QYXTYOIFAGWHOP-MJBXVCDLSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)C1CCCCC1 ZINC000497752320 259391478 /nfs/dbraw/zinc/39/14/78/259391478.db2.gz APMBRVDWWJBTSM-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)C1CCCCC1 ZINC000497752321 259391361 /nfs/dbraw/zinc/39/13/61/259391361.db2.gz APMBRVDWWJBTSM-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCCCC1 ZINC000497752322 259391423 /nfs/dbraw/zinc/39/14/23/259391423.db2.gz APMBRVDWWJBTSM-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)C1CCCCC1 ZINC000497752324 259391500 /nfs/dbraw/zinc/39/15/00/259391500.db2.gz APMBRVDWWJBTSM-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)c1ccccc1C ZINC000497753167 259391293 /nfs/dbraw/zinc/39/12/93/259391293.db2.gz MGKKJIAFUXPIRG-DZGCQCFKSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1C ZINC000497753170 259391462 /nfs/dbraw/zinc/39/14/62/259391462.db2.gz MGKKJIAFUXPIRG-HIFRSBDPSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C ZINC000497753172 259391373 /nfs/dbraw/zinc/39/13/73/259391373.db2.gz MGKKJIAFUXPIRG-UKRRQHHQSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1C ZINC000497753174 259391407 /nfs/dbraw/zinc/39/14/07/259391407.db2.gz MGKKJIAFUXPIRG-ZFWWWQNUSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(F)c1 ZINC000497754186 256613183 /nfs/dbraw/zinc/61/31/83/256613183.db2.gz ZIVOGUDCRXXXLD-BXUZGUMPSA-N 0 0 249.329 3.524 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(F)c1 ZINC000497754187 256613150 /nfs/dbraw/zinc/61/31/50/256613150.db2.gz ZIVOGUDCRXXXLD-FZMZJTMJSA-N 0 0 249.329 3.524 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(F)c1 ZINC000497754188 397893583 /nfs/dbraw/zinc/89/35/83/397893583.db2.gz ZIVOGUDCRXXXLD-RISCZKNCSA-N 0 0 249.329 3.524 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(F)c1 ZINC000497754189 397893547 /nfs/dbraw/zinc/89/35/47/397893547.db2.gz ZIVOGUDCRXXXLD-SMDDNHRTSA-N 0 0 249.329 3.524 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)CC1CCCC1 ZINC000497754200 397893683 /nfs/dbraw/zinc/89/36/83/397893683.db2.gz ZNOKWYLXGIBWQS-KBPBESRZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)CC1CCCC1 ZINC000497754201 397893764 /nfs/dbraw/zinc/89/37/64/397893764.db2.gz ZNOKWYLXGIBWQS-KGLIPLIRSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)CC1CCCC1 ZINC000497754202 397893638 /nfs/dbraw/zinc/89/36/38/397893638.db2.gz ZNOKWYLXGIBWQS-UONOGXRCSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)CC1CCCC1 ZINC000497754203 397893674 /nfs/dbraw/zinc/89/36/74/397893674.db2.gz ZNOKWYLXGIBWQS-ZIAGYGMSSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)cc1 ZINC000497754217 398327336 /nfs/dbraw/zinc/32/73/36/398327336.db2.gz ZXOKWJHRSBBGIU-DZGCQCFKSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)cc1 ZINC000497754218 398327324 /nfs/dbraw/zinc/32/73/24/398327324.db2.gz ZXOKWJHRSBBGIU-HIFRSBDPSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)cc1 ZINC000497754219 398327388 /nfs/dbraw/zinc/32/73/88/398327388.db2.gz ZXOKWJHRSBBGIU-UKRRQHHQSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)cc1 ZINC000497754220 398327371 /nfs/dbraw/zinc/32/73/71/398327371.db2.gz ZXOKWJHRSBBGIU-ZFWWWQNUSA-N 0 0 245.366 3.694 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1CC ZINC000497766519 528020555 /nfs/dbraw/zinc/02/05/55/528020555.db2.gz HGJUCTFJCAGVFF-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000497766521 385356906 /nfs/dbraw/zinc/35/69/06/385356906.db2.gz HGJUCTFJCAGVFF-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H]1CCCC[C@H]1CC ZINC000497766522 528020384 /nfs/dbraw/zinc/02/03/84/528020384.db2.gz HGJUCTFJCAGVFF-XQQFMLRXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000497766524 385356839 /nfs/dbraw/zinc/35/68/39/385356839.db2.gz HGJUCTFJCAGVFF-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)CCC(C)C ZINC000497767002 385356780 /nfs/dbraw/zinc/35/67/80/385356780.db2.gz KBTVCGPPERXEQG-CHWSQXEVSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)CCC(C)C ZINC000497767003 529281098 /nfs/dbraw/zinc/28/10/98/529281098.db2.gz KBTVCGPPERXEQG-OLZOCXBDSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)CCC(C)C ZINC000497767004 529210396 /nfs/dbraw/zinc/21/03/96/529210396.db2.gz KBTVCGPPERXEQG-QWHCGFSZSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)CCC(C)C ZINC000497767005 385357783 /nfs/dbraw/zinc/35/77/83/385357783.db2.gz KBTVCGPPERXEQG-STQMWFEESA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C)c1 ZINC000497768670 385356863 /nfs/dbraw/zinc/35/68/63/385356863.db2.gz QVNMQEPOZWTNRY-DZGCQCFKSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C)c1 ZINC000497768672 385357106 /nfs/dbraw/zinc/35/71/06/385357106.db2.gz QVNMQEPOZWTNRY-HIFRSBDPSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C)c1 ZINC000497768673 385357310 /nfs/dbraw/zinc/35/73/10/385357310.db2.gz QVNMQEPOZWTNRY-UKRRQHHQSA-N 0 0 245.366 3.694 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C)c1 ZINC000497768674 385357700 /nfs/dbraw/zinc/35/77/00/385357700.db2.gz QVNMQEPOZWTNRY-ZFWWWQNUSA-N 0 0 245.366 3.694 20 0 BHADRN CCN(C(=O)[C@H](C)C(C)C)c1cccc(C)c1C ZINC000497784811 397895078 /nfs/dbraw/zinc/89/50/78/397895078.db2.gz MBVRIKCVCFVTNG-CYBMUJFWSA-N 0 0 247.382 3.948 20 0 BHADRN CCN(C(=O)[C@@H](C)C(C)C)c1cccc(C)c1C ZINC000497784812 397895119 /nfs/dbraw/zinc/89/51/19/397895119.db2.gz MBVRIKCVCFVTNG-ZDUSSCGKSA-N 0 0 247.382 3.948 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCCCc2ccccc21 ZINC000497785175 385365808 /nfs/dbraw/zinc/36/58/08/385365808.db2.gz BICRLTNEWSAUDC-CYBMUJFWSA-N 0 0 245.366 3.792 20 0 BHADRN CCC[C@H](C)C(=O)N1CCCCc2ccccc21 ZINC000497785176 385364888 /nfs/dbraw/zinc/36/48/88/385364888.db2.gz BICRLTNEWSAUDC-ZDUSSCGKSA-N 0 0 245.366 3.792 20 0 BHADRN CCCCN(C(=O)[C@H](C)C(C)C)[C@H](C)CC ZINC000497785658 385364547 /nfs/dbraw/zinc/36/45/47/385364547.db2.gz RNQPCIVKFUOONJ-CHWSQXEVSA-N 0 0 227.392 3.706 20 0 BHADRN CCCCN(C(=O)[C@@H](C)C(C)C)[C@H](C)CC ZINC000497785659 528307204 /nfs/dbraw/zinc/30/72/04/528307204.db2.gz RNQPCIVKFUOONJ-OLZOCXBDSA-N 0 0 227.392 3.706 20 0 BHADRN CCCCN(C(=O)[C@H](C)C(C)C)[C@@H](C)CC ZINC000497785660 385365661 /nfs/dbraw/zinc/36/56/61/385365661.db2.gz RNQPCIVKFUOONJ-QWHCGFSZSA-N 0 0 227.392 3.706 20 0 BHADRN CCCCN(C(=O)[C@@H](C)C(C)C)[C@@H](C)CC ZINC000497785661 385364307 /nfs/dbraw/zinc/36/43/07/385364307.db2.gz RNQPCIVKFUOONJ-STQMWFEESA-N 0 0 227.392 3.706 20 0 BHADRN CCCCN(C(=O)[C@H](C)CCC)[C@H](C)CC ZINC000497786100 528308483 /nfs/dbraw/zinc/30/84/83/528308483.db2.gz VSACESOAYXRMLR-CHWSQXEVSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCN(C(=O)[C@H](C)CCC)[C@@H](C)CC ZINC000497786101 385368306 /nfs/dbraw/zinc/36/83/06/385368306.db2.gz VSACESOAYXRMLR-OLZOCXBDSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCN(C(=O)[C@@H](C)CCC)[C@H](C)CC ZINC000497786102 385368159 /nfs/dbraw/zinc/36/81/59/385368159.db2.gz VSACESOAYXRMLR-QWHCGFSZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCN(C(=O)[C@@H](C)CCC)[C@@H](C)CC ZINC000497786104 528307703 /nfs/dbraw/zinc/30/77/03/528307703.db2.gz VSACESOAYXRMLR-STQMWFEESA-N 0 0 227.392 3.850 20 0 BHADRN CC(C)[C@@H](C)C(=O)N1CCCCc2ccccc21 ZINC000497786736 528378948 /nfs/dbraw/zinc/37/89/48/528378948.db2.gz MHURTRIHTIRZIU-CYBMUJFWSA-N 0 0 245.366 3.648 20 0 BHADRN CC(C)[C@H](C)C(=O)N1CCCCc2ccccc21 ZINC000497786737 385368568 /nfs/dbraw/zinc/36/85/68/385368568.db2.gz MHURTRIHTIRZIU-ZDUSSCGKSA-N 0 0 245.366 3.648 20 0 BHADRN CC(C)[C@@H](C)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000497791914 528380229 /nfs/dbraw/zinc/38/02/29/528380229.db2.gz MNOHCOBGRFLFEW-CHWSQXEVSA-N 0 0 245.366 3.819 20 0 BHADRN CC(C)[C@H](C)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000497791915 385370151 /nfs/dbraw/zinc/37/01/51/385370151.db2.gz MNOHCOBGRFLFEW-OLZOCXBDSA-N 0 0 245.366 3.819 20 0 BHADRN CC(C)[C@@H](C)C(=O)N1CC[C@H](C)c2ccccc21 ZINC000497791916 528380145 /nfs/dbraw/zinc/38/01/45/528380145.db2.gz MNOHCOBGRFLFEW-QWHCGFSZSA-N 0 0 245.366 3.819 20 0 BHADRN CC(C)[C@H](C)C(=O)N1CC[C@H](C)c2ccccc21 ZINC000497791917 385370325 /nfs/dbraw/zinc/37/03/25/385370325.db2.gz MNOHCOBGRFLFEW-STQMWFEESA-N 0 0 245.366 3.819 20 0 BHADRN CCN(C(=O)[C@@H](C)C(C)C)c1cc(C)cc(C)c1 ZINC000497792721 385369720 /nfs/dbraw/zinc/36/97/20/385369720.db2.gz WOIJCZYOKIQUNB-AWEZNQCLSA-N 0 0 247.382 3.948 20 0 BHADRN CCN(C(=O)[C@H](C)C(C)C)c1cc(C)cc(C)c1 ZINC000497792722 385369647 /nfs/dbraw/zinc/36/96/47/385369647.db2.gz WOIJCZYOKIQUNB-CQSZACIVSA-N 0 0 247.382 3.948 20 0 BHADRN CC(C)[C@@H](C)C(=O)NCCCC1CCCCC1 ZINC000497801229 385372351 /nfs/dbraw/zinc/37/23/51/385372351.db2.gz OERBFUOQXGUABL-CYBMUJFWSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)[C@H](C)C(=O)NCCCC1CCCCC1 ZINC000497801230 385372904 /nfs/dbraw/zinc/37/29/04/385372904.db2.gz OERBFUOQXGUABL-ZDUSSCGKSA-N 0 0 239.403 3.755 20 0 BHADRN CCCOc1cccc(NC(=O)[C@H](C)C(C)C)c1 ZINC000497801377 528764993 /nfs/dbraw/zinc/76/49/93/528764993.db2.gz OMPXYEFYCQMJCB-GFCCVEGCSA-N 0 0 249.354 3.706 20 0 BHADRN CCCOc1cccc(NC(=O)[C@@H](C)C(C)C)c1 ZINC000497801378 385373502 /nfs/dbraw/zinc/37/35/02/385373502.db2.gz OMPXYEFYCQMJCB-LBPRGKRZSA-N 0 0 249.354 3.706 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000497802540 528030174 /nfs/dbraw/zinc/03/01/74/528030174.db2.gz LPSCGZZICYGRRR-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000497802541 385372781 /nfs/dbraw/zinc/37/27/81/385372781.db2.gz LPSCGZZICYGRRR-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000497802542 385372761 /nfs/dbraw/zinc/37/27/61/385372761.db2.gz LPSCGZZICYGRRR-XQQFMLRXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000497802543 385373509 /nfs/dbraw/zinc/37/35/09/385373509.db2.gz LPSCGZZICYGRRR-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CCN(CC(C)C)C(=O)CCC1CCCCC1 ZINC000497802544 385371528 /nfs/dbraw/zinc/37/15/28/385371528.db2.gz LPXPMIZNLPWHPK-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCCc2cc(F)ccc21 ZINC000497803529 385374131 /nfs/dbraw/zinc/37/41/31/385374131.db2.gz FZPXGLKEMJXWEZ-LLVKDONJSA-N 0 0 249.329 3.541 20 0 BHADRN CCC[C@H](C)C(=O)N1CCCc2cc(F)ccc21 ZINC000497803530 385375431 /nfs/dbraw/zinc/37/54/31/385375431.db2.gz FZPXGLKEMJXWEZ-NSHDSACASA-N 0 0 249.329 3.541 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000497820853 385378040 /nfs/dbraw/zinc/37/80/40/385378040.db2.gz QEARQFHFTRQKRS-MRVPVSSYSA-N 0 0 243.709 3.710 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000497820854 385378772 /nfs/dbraw/zinc/37/87/72/385378772.db2.gz QEARQFHFTRQKRS-QMMMGPOBSA-N 0 0 243.709 3.710 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@H](C)C(C)C ZINC000497822955 385378871 /nfs/dbraw/zinc/37/88/71/385378871.db2.gz YJUUGLLXPQEJNH-GFCCVEGCSA-N 0 0 227.392 3.563 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@@H](C)C(C)C ZINC000497822956 528741497 /nfs/dbraw/zinc/74/14/97/528741497.db2.gz YJUUGLLXPQEJNH-LBPRGKRZSA-N 0 0 227.392 3.563 20 0 BHADRN CCC1CCC(CNC(=O)[C@@H](C)C(C)C)CC1 ZINC000497828513 385380353 /nfs/dbraw/zinc/38/03/53/385380353.db2.gz MMLKJCPUPPMYOY-HSBZDZAISA-N 0 0 239.403 3.611 20 0 BHADRN CCC1CCC(CNC(=O)[C@H](C)C(C)C)CC1 ZINC000497828516 385381593 /nfs/dbraw/zinc/38/15/93/385381593.db2.gz MMLKJCPUPPMYOY-IYXRBSQSSA-N 0 0 239.403 3.611 20 0 BHADRN CCC[C@@H](C)C(=O)N(c1ccccc1)C(C)C ZINC000497828842 385380976 /nfs/dbraw/zinc/38/09/76/385380976.db2.gz OONAUAOBVQEXLE-CYBMUJFWSA-N 0 0 233.355 3.864 20 0 BHADRN CCC[C@H](C)C(=O)N(c1ccccc1)C(C)C ZINC000497828843 385381063 /nfs/dbraw/zinc/38/10/63/385381063.db2.gz OONAUAOBVQEXLE-ZDUSSCGKSA-N 0 0 233.355 3.864 20 0 BHADRN CC(C)CN(C(=O)[C@H](C)C(C)C)C1CCCC1 ZINC000497837733 385385974 /nfs/dbraw/zinc/38/59/74/385385974.db2.gz VKKCEEGXGQLAFM-CYBMUJFWSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CN(C(=O)[C@@H](C)C(C)C)C1CCCC1 ZINC000497837734 527904445 /nfs/dbraw/zinc/90/44/45/527904445.db2.gz VKKCEEGXGQLAFM-ZDUSSCGKSA-N 0 0 239.403 3.706 20 0 BHADRN CCC[C@@H](C)C(=O)N(CC(C)C)C1CCCC1 ZINC000497837793 385384653 /nfs/dbraw/zinc/38/46/53/385384653.db2.gz VMTFTGSTUUEZQC-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@H](C)C(=O)N(CC(C)C)C1CCCC1 ZINC000497837794 385384949 /nfs/dbraw/zinc/38/49/49/385384949.db2.gz VMTFTGSTUUEZQC-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1cccc(NC(=O)CC2CC(C)(C)C2)c1F ZINC000497891872 385410737 /nfs/dbraw/zinc/41/07/37/385410737.db2.gz DZUCRUZIALDANJ-UHFFFAOYSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(NC(=O)CC(C)(C)C2CC2)c1F ZINC000497892380 385411242 /nfs/dbraw/zinc/41/12/42/385411242.db2.gz HUPNHEVAJQOEMF-UHFFFAOYSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)cc1 ZINC000497909454 385418634 /nfs/dbraw/zinc/41/86/34/385418634.db2.gz WGTBJWLJTHPMME-GZBFAFLISA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1 ZINC000497909455 385418270 /nfs/dbraw/zinc/41/82/70/385418270.db2.gz WGTBJWLJTHPMME-KCQAQPDRSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000497909456 385419287 /nfs/dbraw/zinc/41/92/87/385419287.db2.gz WGTBJWLJTHPMME-UMVBOHGHSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC000497909557 224680191 /nfs/dbraw/zinc/68/01/91/224680191.db2.gz WGTBJWLJTHPMME-VNHYZAJKSA-N 0 0 245.366 3.550 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CC2CCCC2)[C@H](C)C1 ZINC000497914004 385421921 /nfs/dbraw/zinc/42/19/21/385421921.db2.gz NACIATDOTNCAKS-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000497914007 385422379 /nfs/dbraw/zinc/42/23/79/385422379.db2.gz NACIATDOTNCAKS-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000497914008 534181945 /nfs/dbraw/zinc/18/19/45/534181945.db2.gz NACIATDOTNCAKS-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CC2CCCC2)[C@H](C)C1 ZINC000497914009 385422038 /nfs/dbraw/zinc/42/20/38/385422038.db2.gz NACIATDOTNCAKS-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H](C)CC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000497915037 385421527 /nfs/dbraw/zinc/42/15/27/385421527.db2.gz BQMNSWNRDDNBLT-MQYQWHSLSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)[C@@H](C)CC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000497915038 385421127 /nfs/dbraw/zinc/42/11/27/385421127.db2.gz BQMNSWNRDDNBLT-RFGFWPKPSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)[C@@H](C)CC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000497915039 385421114 /nfs/dbraw/zinc/42/11/14/385421114.db2.gz BQMNSWNRDDNBLT-RQJABVFESA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)[C@H](C)CC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000497915040 385421150 /nfs/dbraw/zinc/42/11/50/385421150.db2.gz BQMNSWNRDDNBLT-SYQHCUMBSA-N 0 0 239.403 3.610 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000497917645 528029579 /nfs/dbraw/zinc/02/95/79/528029579.db2.gz QMGFOWGRUAXTSK-IGQOVBAYSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000497917646 397897568 /nfs/dbraw/zinc/89/75/68/397897568.db2.gz QMGFOWGRUAXTSK-REWJHTLYSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000497917647 397897855 /nfs/dbraw/zinc/89/78/55/397897855.db2.gz QMGFOWGRUAXTSK-RFQIPJPRSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000497917648 528029417 /nfs/dbraw/zinc/02/94/17/528029417.db2.gz QMGFOWGRUAXTSK-XDQVBPFNSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](C)C1 ZINC000497921612 397897735 /nfs/dbraw/zinc/89/77/35/397897735.db2.gz IWRKSRNPPPNAQS-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000497921613 397897600 /nfs/dbraw/zinc/89/76/00/397897600.db2.gz IWRKSRNPPPNAQS-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000497921614 534182706 /nfs/dbraw/zinc/18/27/06/534182706.db2.gz IWRKSRNPPPNAQS-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](C)C1 ZINC000497921615 534182291 /nfs/dbraw/zinc/18/22/91/534182291.db2.gz IWRKSRNPPPNAQS-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCC(=O)Nc1cccc(OCCC)c1 ZINC000497929390 385427869 /nfs/dbraw/zinc/42/78/69/385427869.db2.gz CQXHIDIZRSHFJY-UHFFFAOYSA-N 0 0 249.354 3.994 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CC2=CCCCC2)[C@@H](C)C1 ZINC000497932500 534249424 /nfs/dbraw/zinc/24/94/24/534249424.db2.gz USGMGCBFHKYEHB-IPYPFGDCSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC000497932501 534249413 /nfs/dbraw/zinc/24/94/13/534249413.db2.gz USGMGCBFHKYEHB-NFAWXSAZSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC000497932502 385429595 /nfs/dbraw/zinc/42/95/95/385429595.db2.gz USGMGCBFHKYEHB-UMVBOHGHSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CC2=CCCCC2)[C@@H](C)C1 ZINC000497932503 534182044 /nfs/dbraw/zinc/18/20/44/534182044.db2.gz USGMGCBFHKYEHB-VNHYZAJKSA-N 0 0 249.398 3.818 20 0 BHADRN CCCOc1cccc(NC(=O)CCC(C)C)c1 ZINC000497933532 385429786 /nfs/dbraw/zinc/42/97/86/385429786.db2.gz DAUJAZJHQQOBOE-UHFFFAOYSA-N 0 0 249.354 3.850 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000497936201 534249578 /nfs/dbraw/zinc/24/95/78/534249578.db2.gz FKGDCWJSQQLWBJ-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000497936203 385429585 /nfs/dbraw/zinc/42/95/85/385429585.db2.gz FKGDCWJSQQLWBJ-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000497936205 385429701 /nfs/dbraw/zinc/42/97/01/385429701.db2.gz FKGDCWJSQQLWBJ-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000497936207 385429737 /nfs/dbraw/zinc/42/97/37/385429737.db2.gz FKGDCWJSQQLWBJ-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000497943864 534618411 /nfs/dbraw/zinc/61/84/11/534618411.db2.gz JOUZUXKERCXMKY-GZBFAFLISA-N 0 0 245.366 3.550 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000497943865 385433776 /nfs/dbraw/zinc/43/37/76/385433776.db2.gz JOUZUXKERCXMKY-KCQAQPDRSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000497943866 385434048 /nfs/dbraw/zinc/43/40/48/385434048.db2.gz JOUZUXKERCXMKY-UMVBOHGHSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000497943867 385432701 /nfs/dbraw/zinc/43/27/01/385432701.db2.gz JOUZUXKERCXMKY-VNHYZAJKSA-N 0 0 245.366 3.550 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000497947030 385437297 /nfs/dbraw/zinc/43/72/97/385437297.db2.gz VXMTXPDVQNIEHL-FRRDWIJNSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000497947034 385437891 /nfs/dbraw/zinc/43/78/91/385437891.db2.gz VXMTXPDVQNIEHL-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000497947035 385437800 /nfs/dbraw/zinc/43/78/00/385437800.db2.gz VXMTXPDVQNIEHL-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000497947037 385436866 /nfs/dbraw/zinc/43/68/66/385436866.db2.gz VXMTXPDVQNIEHL-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(CC)NC(=O)CCc1ccc(C)cc1 ZINC000497964681 528609340 /nfs/dbraw/zinc/60/93/40/528609340.db2.gz SWGJCHSUEQJNLN-UHFFFAOYSA-N 0 0 247.382 3.623 20 0 BHADRN Cc1cccc(F)c1NC(=O)CC1CC(C)(C)C1 ZINC000497964891 385445672 /nfs/dbraw/zinc/44/56/72/385445672.db2.gz KKUHPSCFBPYDLC-UHFFFAOYSA-N 0 0 249.329 3.899 20 0 BHADRN CCC(C)(CC)NC(=O)c1cc(C)cc(C)c1 ZINC000497967941 385446972 /nfs/dbraw/zinc/44/69/72/385446972.db2.gz NNRZOFSUJGWLOE-UHFFFAOYSA-N 0 0 233.355 3.612 20 0 BHADRN CCc1ccc(C(=O)NC(C)(CC)CC)cc1 ZINC000497970359 385446648 /nfs/dbraw/zinc/44/66/48/385446648.db2.gz ABBAAIMKAKRCRS-UHFFFAOYSA-N 0 0 233.355 3.558 20 0 BHADRN CCC(C)(CC)NC(=O)CCc1ccccc1C ZINC000497971905 385448881 /nfs/dbraw/zinc/44/88/81/385448881.db2.gz ZMVFNCLBKPVSSH-UHFFFAOYSA-N 0 0 247.382 3.623 20 0 BHADRN CCC(C)(CC)NC(=O)c1ccccc1Cl ZINC000497976214 385449528 /nfs/dbraw/zinc/44/95/28/385449528.db2.gz POUMRETVLDJRQR-UHFFFAOYSA-N 0 0 239.746 3.649 20 0 BHADRN CCCc1ccc(C(=O)NC(C)(CC)CC)cc1 ZINC000497977481 385450137 /nfs/dbraw/zinc/45/01/37/385450137.db2.gz ZOMCYHWBIOTZCA-UHFFFAOYSA-N 0 0 247.382 3.948 20 0 BHADRN CCC(C)(CC)NC(=O)CCCC(C)(C)C ZINC000497982090 385449922 /nfs/dbraw/zinc/44/99/22/385449922.db2.gz QTKZRRJMQZUGLJ-UHFFFAOYSA-N 0 0 227.392 3.898 20 0 BHADRN CC[C@H](CC(=O)NC(C)(CC)CC)C(C)C ZINC000497982555 385450874 /nfs/dbraw/zinc/45/08/74/385450874.db2.gz SFBPKMJTJRNVNR-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@@H](CC(=O)NC(C)(CC)CC)C(C)C ZINC000497982558 385451994 /nfs/dbraw/zinc/45/19/94/385451994.db2.gz SFBPKMJTJRNVNR-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(C)(CC)NC(=O)c1ccc(C)cc1C ZINC000497986605 385451530 /nfs/dbraw/zinc/45/15/30/385451530.db2.gz QIPQBGKWORPYLH-UHFFFAOYSA-N 0 0 233.355 3.612 20 0 BHADRN CCC(C)(CC)NC(=O)CCCc1ccccc1 ZINC000497991113 385452626 /nfs/dbraw/zinc/45/26/26/385452626.db2.gz UTYVPRMDPDKHEA-UHFFFAOYSA-N 0 0 247.382 3.704 20 0 BHADRN CCC(C)(CC)NC(=O)c1ccc(C)c(C)c1 ZINC000497992653 528615384 /nfs/dbraw/zinc/61/53/84/528615384.db2.gz CKBZMSXKADCIGA-UHFFFAOYSA-N 0 0 233.355 3.612 20 0 BHADRN CCC(C)(CC)NC(=O)c1ccc(Cl)cc1 ZINC000497992909 385452733 /nfs/dbraw/zinc/45/27/33/385452733.db2.gz GUWXAVRGYMIIGT-UHFFFAOYSA-N 0 0 239.746 3.649 20 0 BHADRN CCC(C)(CC)NC(=O)c1ccc(Cl)s1 ZINC000497992935 385453532 /nfs/dbraw/zinc/45/35/32/385453532.db2.gz HFTDXEYSSQLCLK-UHFFFAOYSA-N 0 0 245.775 3.710 20 0 BHADRN CC(C)CCOCCN1CCCc2ccccc21 ZINC000497993441 385453171 /nfs/dbraw/zinc/45/31/71/385453171.db2.gz DUJQSJGLRNUSOC-UHFFFAOYSA-N 0 0 247.382 3.502 20 0 BHADRN CC1(CNC(=O)[C@H]2C[C@@H]2C2CC2)CCCCCC1 ZINC000497997382 527972392 /nfs/dbraw/zinc/97/23/92/527972392.db2.gz GEWBDGULJAPBMQ-KGLIPLIRSA-N 0 0 249.398 3.509 20 0 BHADRN Cc1cc(C(=O)NCCCC(C)C)sc1C ZINC000498005120 385457749 /nfs/dbraw/zinc/45/77/49/385457749.db2.gz CNPPXOJGVYOQIO-UHFFFAOYSA-N 0 0 239.384 3.531 20 0 BHADRN CC(C)CCCNC(=O)c1cccc(Cl)c1 ZINC000498007828 397900238 /nfs/dbraw/zinc/90/02/38/397900238.db2.gz OMPGTGIFKUXUOE-UHFFFAOYSA-N 0 0 239.746 3.506 20 0 BHADRN CCc1ccsc1C(=O)NC(C)(CC)CC ZINC000498009895 385460184 /nfs/dbraw/zinc/46/01/84/385460184.db2.gz DSZLEZIXXJLVDN-UHFFFAOYSA-N 0 0 239.384 3.619 20 0 BHADRN CCC(C)(CC)NC(=O)c1cc2ccccc2o1 ZINC000498009959 385460448 /nfs/dbraw/zinc/46/04/48/385460448.db2.gz FTVNYDRZWIOWJQ-UHFFFAOYSA-N 0 0 245.322 3.741 20 0 BHADRN CC(C)CCCNC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000498010872 527704344 /nfs/dbraw/zinc/70/43/44/527704344.db2.gz CWTVKIQVGHUWGJ-KBPBESRZSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CCCNC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000498010873 385460952 /nfs/dbraw/zinc/46/09/52/385460952.db2.gz CWTVKIQVGHUWGJ-KGLIPLIRSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CCCNC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000498010874 385459813 /nfs/dbraw/zinc/45/98/13/385459813.db2.gz CWTVKIQVGHUWGJ-UONOGXRCSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CCCNC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000498010875 385460558 /nfs/dbraw/zinc/46/05/58/385460558.db2.gz CWTVKIQVGHUWGJ-ZIAGYGMSSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@H](C)CC(C)C ZINC000498012420 385461862 /nfs/dbraw/zinc/46/18/62/385461862.db2.gz WBHLYJREJQHWAE-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@@H](C)CC(C)C ZINC000498012423 528610682 /nfs/dbraw/zinc/61/06/82/528610682.db2.gz WBHLYJREJQHWAE-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CC(C)CCCNC(=O)C(C)(C)c1ccccc1 ZINC000498013685 385460480 /nfs/dbraw/zinc/46/04/80/385460480.db2.gz UTBMCPKDIHILAQ-UHFFFAOYSA-N 0 0 247.382 3.517 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000498013790 385460871 /nfs/dbraw/zinc/46/08/71/385460871.db2.gz PPZQKRCABJLKFH-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000498013791 385460358 /nfs/dbraw/zinc/46/03/58/385460358.db2.gz PPZQKRCABJLKFH-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000498013792 385459921 /nfs/dbraw/zinc/45/99/21/385459921.db2.gz PPZQKRCABJLKFH-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000498013793 528610944 /nfs/dbraw/zinc/61/09/44/528610944.db2.gz PPZQKRCABJLKFH-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)NC(=O)c1cccc(C)c1C ZINC000498014662 528615299 /nfs/dbraw/zinc/61/52/99/528615299.db2.gz SSVPGZQGFZRJML-UHFFFAOYSA-N 0 0 233.355 3.612 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@@H](C)C(C)(C)C ZINC000498015840 385464142 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20 0 BHADRN CC[C@H](C)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000499066330 529636736 /nfs/dbraw/zinc/63/67/36/529636736.db2.gz BJQGKQJNRBKOLO-LBPRGKRZSA-N 0 0 247.382 3.646 20 0 BHADRN CCCN(CC)C(=O)CCCC1CCCCC1 ZINC000499070475 527951383 /nfs/dbraw/zinc/95/13/83/527951383.db2.gz IXWMWDDCHXNMCS-UHFFFAOYSA-N 0 0 239.403 3.996 20 0 BHADRN CCCN(CC)C(=O)c1ccc(C(C)C)cc1 ZINC000499070757 527961265 /nfs/dbraw/zinc/96/12/65/527961265.db2.gz KBGVFJOGJLRBQC-UHFFFAOYSA-N 0 0 233.355 3.682 20 0 BHADRN CCCN(CC)C(=O)CCC1CCCCC1 ZINC000499072960 527951824 /nfs/dbraw/zinc/95/18/24/527951824.db2.gz PTIBWMGJRPZUTP-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CCCN(CC)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000499073844 527961849 /nfs/dbraw/zinc/96/18/49/527961849.db2.gz TXGUSTRAUBZANP-UHFFFAOYSA-N 0 0 247.382 3.856 20 0 BHADRN CCCN(CC)C(=O)CC(C)(C)c1ccccc1 ZINC000499074660 527951611 /nfs/dbraw/zinc/95/16/11/527951611.db2.gz WVKKZZVHMHTLBO-UHFFFAOYSA-N 0 0 247.382 3.613 20 0 BHADRN CCCCC(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000499084312 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BHADRN CCCN(CC(C)C)C(=O)CC1CCCCC1 ZINC000499171949 527921417 /nfs/dbraw/zinc/92/14/17/527921417.db2.gz DIQJQZJXVJPGCE-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCN(CC(C)C)C(=O)c1ccc(C)c(C)c1 ZINC000499175655 527927669 /nfs/dbraw/zinc/92/76/69/527927669.db2.gz MMFHKLRDIZAPDE-UHFFFAOYSA-N 0 0 247.382 3.812 20 0 BHADRN CCCN(CC(C)C)C(=O)c1ccc(CC)cc1 ZINC000499176427 527927677 /nfs/dbraw/zinc/92/76/77/527927677.db2.gz OZUNHTRLODAVBR-UHFFFAOYSA-N 0 0 247.382 3.757 20 0 BHADRN CCCN(CC(C)C)C(=O)CCC1CCCC1 ZINC000499176818 527921693 /nfs/dbraw/zinc/92/16/93/527921693.db2.gz PXTIIBMQWVUPNH-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCN(CC(C)C)C(=O)CCc1ccccc1 ZINC000499178983 527921210 /nfs/dbraw/zinc/92/12/10/527921210.db2.gz YVNRNZQSUVFOPG-UHFFFAOYSA-N 0 0 247.382 3.514 20 0 BHADRN CCC[C@@H](C)CC(=O)N(CCC)CC(C)C ZINC000499180932 528871144 /nfs/dbraw/zinc/87/11/44/528871144.db2.gz SMAUTTPMOIOCLZ-CYBMUJFWSA-N 0 0 227.392 3.707 20 0 BHADRN CCC[C@H](C)CC(=O)N(CCC)CC(C)C ZINC000499180933 528024076 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ZINC000499974574 528886677 /nfs/dbraw/zinc/88/66/77/528886677.db2.gz PCCDCYYHMHIJBQ-JTQLQIEISA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(F)cc1C ZINC000499974575 528754532 /nfs/dbraw/zinc/75/45/32/528754532.db2.gz PCCDCYYHMHIJBQ-SNVBAGLBSA-N 0 0 237.318 3.899 20 0 BHADRN CC(C)(C)CCCOc1ccc2cncnc2c1 ZINC000499976112 527662594 /nfs/dbraw/zinc/66/25/94/527662594.db2.gz IOTQOGLXGSLYAE-UHFFFAOYSA-N 0 0 244.338 3.835 20 0 BHADRN Cc1c(Cl)cnn1C[C@H](C)CC(C)C ZINC000499976127 226324825 /nfs/dbraw/zinc/32/48/25/226324825.db2.gz IQQVMVBRALXCKE-SECBINFHSA-N 0 0 214.740 3.527 20 0 BHADRN Cc1c(Cl)cnn1C[C@@H](C)CC(C)C ZINC000499976139 226324746 /nfs/dbraw/zinc/32/47/46/226324746.db2.gz IQQVMVBRALXCKE-VIFPVBQESA-N 0 0 214.740 3.527 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000499976959 528880210 /nfs/dbraw/zinc/88/02/10/528880210.db2.gz KGRJXIFBFXNJMU-AWEZNQCLSA-N 0 0 247.382 3.780 20 0 BHADRN CCCC[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000499976960 528749298 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528754231 /nfs/dbraw/zinc/75/42/31/528754231.db2.gz VZEXYQGMYRFGRH-SNVBAGLBSA-N 0 0 223.291 3.591 20 0 BHADRN CC(C)C[C@@H](C)COc1ccc2cncnc2c1 ZINC000499983012 528253866 /nfs/dbraw/zinc/25/38/66/528253866.db2.gz YKRSTGYZNNDXHW-GFCCVEGCSA-N 0 0 244.338 3.691 20 0 BHADRN CC(C)C[C@H](C)COc1ccc2cncnc2c1 ZINC000499983013 528462057 /nfs/dbraw/zinc/46/20/57/528462057.db2.gz YKRSTGYZNNDXHW-LBPRGKRZSA-N 0 0 244.338 3.691 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000499985349 528750103 /nfs/dbraw/zinc/75/01/03/528750103.db2.gz CNKDFSXCFKBMJY-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000499985350 528750791 /nfs/dbraw/zinc/75/07/91/528750791.db2.gz CNKDFSXCFKBMJY-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000499985353 528881585 /nfs/dbraw/zinc/88/15/85/528881585.db2.gz CNKDFSXCFKBMJY-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000499985355 528881588 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SNCDZSOTKCYFBP-LBPRGKRZSA-N 0 0 236.359 3.630 20 0 BHADRN CC(C)C[C@@H](C)Cn1ccc(-c2nccs2)n1 ZINC000499992079 528255396 /nfs/dbraw/zinc/25/53/96/528255396.db2.gz UNIVPGWMKHHKSQ-LLVKDONJSA-N 0 0 249.383 3.689 20 0 BHADRN CC(C)C[C@H](C)Cn1ccc(-c2nccs2)n1 ZINC000499992080 528464449 /nfs/dbraw/zinc/46/44/49/528464449.db2.gz UNIVPGWMKHHKSQ-NSHDSACASA-N 0 0 249.383 3.689 20 0 BHADRN CC(C)C[C@@H](C)Cn1ccc2ccsc2c1=O ZINC000499992101 528255004 /nfs/dbraw/zinc/25/50/04/528255004.db2.gz UZYTUCREHHJYEE-LLVKDONJSA-N 0 0 249.379 3.745 20 0 BHADRN CC(C)C[C@H](C)Cn1ccc2ccsc2c1=O ZINC000499992102 528464432 /nfs/dbraw/zinc/46/44/32/528464432.db2.gz UZYTUCREHHJYEE-NSHDSACASA-N 0 0 249.379 3.745 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000499992476 528754277 /nfs/dbraw/zinc/75/42/77/528754277.db2.gz ZKUGPFZYDQHIEF-GFCCVEGCSA-N 0 0 249.354 3.850 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000499992477 528887029 /nfs/dbraw/zinc/88/70/29/528887029.db2.gz ZKUGPFZYDQHIEF-LBPRGKRZSA-N 0 0 249.354 3.850 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000499998306 528754832 /nfs/dbraw/zinc/75/48/32/528754832.db2.gz HIVWBZPEJICOGB-SECBINFHSA-N 0 0 241.281 3.730 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000499998309 528887131 /nfs/dbraw/zinc/88/71/31/528887131.db2.gz HIVWBZPEJICOGB-VIFPVBQESA-N 0 0 241.281 3.730 20 0 BHADRN CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1C[C@H]1C ZINC000500003463 528114218 /nfs/dbraw/zinc/11/42/18/528114218.db2.gz JKLGNHFXKRZMRE-MRVWCRGKSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000500011621 528751347 /nfs/dbraw/zinc/75/13/47/528751347.db2.gz MUEPTIAFCMKKNQ-CYBMUJFWSA-N 0 0 245.366 3.792 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000500011635 528881848 /nfs/dbraw/zinc/88/18/48/528881848.db2.gz MUEPTIAFCMKKNQ-ZDUSSCGKSA-N 0 0 245.366 3.792 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000500016693 528755022 /nfs/dbraw/zinc/75/50/22/528755022.db2.gz HRYGGRPASZOLBH-LLVKDONJSA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000500016695 528886438 /nfs/dbraw/zinc/88/64/38/528886438.db2.gz HRYGGRPASZOLBH-NSHDSACASA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000500017342 528886449 /nfs/dbraw/zinc/88/64/49/528886449.db2.gz UPSMMRDACKXAMY-JTQLQIEISA-N 0 0 223.291 3.591 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000500017343 528756900 /nfs/dbraw/zinc/75/69/00/528756900.db2.gz UPSMMRDACKXAMY-SNVBAGLBSA-N 0 0 223.291 3.591 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000500017455 528755002 /nfs/dbraw/zinc/75/50/02/528755002.db2.gz XIFAHKNJTSARBD-GFCCVEGCSA-N 0 0 249.354 3.768 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000500017456 528885650 /nfs/dbraw/zinc/88/56/50/528885650.db2.gz XIFAHKNJTSARBD-LBPRGKRZSA-N 0 0 249.354 3.768 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000500023767 528754567 /nfs/dbraw/zinc/75/45/67/528754567.db2.gz JDMSVJUCKYIVSR-LLVKDONJSA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000500023768 528886816 /nfs/dbraw/zinc/88/68/16/528886816.db2.gz JDMSVJUCKYIVSR-NSHDSACASA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cc(C)ccc1F ZINC000500024674 528754417 /nfs/dbraw/zinc/75/44/17/528754417.db2.gz LWDDOSVRXKLHAD-LLVKDONJSA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cc(C)ccc1F ZINC000500024675 528885749 /nfs/dbraw/zinc/88/57/49/528885749.db2.gz LWDDOSVRXKLHAD-NSHDSACASA-N 0 0 237.318 3.899 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000500025698 528885839 /nfs/dbraw/zinc/88/58/39/528885839.db2.gz PMNJOBQBIHZLSO-AGIUHOORSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000500025699 528885868 /nfs/dbraw/zinc/88/58/68/528885868.db2.gz PMNJOBQBIHZLSO-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000500025700 528884574 /nfs/dbraw/zinc/88/45/74/528884574.db2.gz PMNJOBQBIHZLSO-FRRDWIJNSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000500025701 528885074 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4.000 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@H](C)CC(C)(C)C ZINC000500742066 529682830 /nfs/dbraw/zinc/68/28/30/529682830.db2.gz SAFFMVGYHIEYSY-XQQFMLRXSA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](C)CC(C)(C)C ZINC000500742067 529678468 /nfs/dbraw/zinc/67/84/68/529678468.db2.gz SAFFMVGYHIEYSY-YNEHKIRRSA-N 0 0 241.419 4.000 20 0 BHADRN CCCc1ccc(C(=O)N[C@H](C)[C@H](C)CC)cc1 ZINC000500746021 528619006 /nfs/dbraw/zinc/61/90/06/528619006.db2.gz UEFAYGCEXUYUOD-CHWSQXEVSA-N 0 0 247.382 3.804 20 0 BHADRN CCCc1ccc(C(=O)N[C@@H](C)[C@H](C)CC)cc1 ZINC000500746022 528617706 /nfs/dbraw/zinc/61/77/06/528617706.db2.gz UEFAYGCEXUYUOD-OLZOCXBDSA-N 0 0 247.382 3.804 20 0 BHADRN CCCc1ccc(C(=O)N[C@H](C)[C@@H](C)CC)cc1 ZINC000500746023 528619540 /nfs/dbraw/zinc/61/95/40/528619540.db2.gz UEFAYGCEXUYUOD-QWHCGFSZSA-N 0 0 247.382 3.804 20 0 BHADRN CCCc1ccc(C(=O)N[C@@H](C)[C@@H](C)CC)cc1 ZINC000500746024 528617882 /nfs/dbraw/zinc/61/78/82/528617882.db2.gz UEFAYGCEXUYUOD-STQMWFEESA-N 0 0 247.382 3.804 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(Cl)s1 ZINC000500755818 385114948 /nfs/dbraw/zinc/11/49/48/385114948.db2.gz RPBJRURBQCFARC-HTQZYQBOSA-N 0 0 245.775 3.566 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1ccc(Cl)s1 ZINC000500755820 529206083 /nfs/dbraw/zinc/20/60/83/529206083.db2.gz RPBJRURBQCFARC-JGVFFNPUSA-N 0 0 245.775 3.566 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1ccc(Cl)s1 ZINC000500755821 385113728 /nfs/dbraw/zinc/11/37/28/385113728.db2.gz RPBJRURBQCFARC-SFYZADRCSA-N 0 0 245.775 3.566 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1ccc(Cl)s1 ZINC000500755822 385115238 /nfs/dbraw/zinc/11/52/38/385115238.db2.gz RPBJRURBQCFARC-YUMQZZPRSA-N 0 0 245.775 3.566 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC000500758111 529393739 /nfs/dbraw/zinc/39/37/39/529393739.db2.gz ZIEWRHKEKXYWLM-CHWSQXEVSA-N 0 0 247.382 3.974 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC000500758114 529413257 /nfs/dbraw/zinc/41/32/57/529413257.db2.gz ZIEWRHKEKXYWLM-OLZOCXBDSA-N 0 0 247.382 3.974 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC000500758116 529206041 /nfs/dbraw/zinc/20/60/41/529206041.db2.gz ZIEWRHKEKXYWLM-QWHCGFSZSA-N 0 0 247.382 3.974 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC000500758117 529241576 /nfs/dbraw/zinc/24/15/76/529241576.db2.gz ZIEWRHKEKXYWLM-STQMWFEESA-N 0 0 247.382 3.974 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000500764345 529239464 /nfs/dbraw/zinc/23/94/64/529239464.db2.gz BWWORAFWULMRTB-RFGFWPKPSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000500764347 529239746 /nfs/dbraw/zinc/23/97/46/529239746.db2.gz BWWORAFWULMRTB-XDQVBPFNSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000500764349 529239756 /nfs/dbraw/zinc/23/97/56/529239756.db2.gz BWWORAFWULMRTB-XUXIUFHCSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000500764351 529239745 /nfs/dbraw/zinc/23/97/45/529239745.db2.gz BWWORAFWULMRTB-ZOBORPQBSA-N 0 0 239.403 3.754 20 0 BHADRN CCCN(CC(C)C)C(=O)[C@H]1CCCC1(C)C ZINC000500773634 527927062 /nfs/dbraw/zinc/92/70/62/527927062.db2.gz KOMTWXVJYZJAGC-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCCN(CC(C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000500773635 527925571 /nfs/dbraw/zinc/92/55/71/527925571.db2.gz KOMTWXVJYZJAGC-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CCCN(CC(C)C)C(=O)[C@H](C)CC(C)(C)C ZINC000500775558 527926084 /nfs/dbraw/zinc/92/60/84/527926084.db2.gz PYPPVIQNJUUDLO-CYBMUJFWSA-N 0 0 241.419 3.953 20 0 BHADRN CCCN(CC(C)C)C(=O)[C@@H](C)CC(C)(C)C ZINC000500775559 527926018 /nfs/dbraw/zinc/92/60/18/527926018.db2.gz PYPPVIQNJUUDLO-ZDUSSCGKSA-N 0 0 241.419 3.953 20 0 BHADRN CCCN(CC(C)C)C(=O)[C@@H](C)c1ccccc1 ZINC000500776195 527925854 /nfs/dbraw/zinc/92/58/54/527925854.db2.gz QHTCHRPHHUKQMP-AWEZNQCLSA-N 0 0 247.382 3.685 20 0 BHADRN CCCN(CC(C)C)C(=O)[C@H](C)c1ccccc1 ZINC000500776196 527926190 /nfs/dbraw/zinc/92/61/90/527926190.db2.gz QHTCHRPHHUKQMP-CQSZACIVSA-N 0 0 247.382 3.685 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000500777773 533463176 /nfs/dbraw/zinc/46/31/76/533463176.db2.gz ULRXTFJXKSHRJL-AGIUHOORSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000500777774 533463346 /nfs/dbraw/zinc/46/33/46/533463346.db2.gz ULRXTFJXKSHRJL-FRRDWIJNSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000500777775 533717788 /nfs/dbraw/zinc/71/77/88/533717788.db2.gz ULRXTFJXKSHRJL-JHJVBQTASA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000500777776 533719211 /nfs/dbraw/zinc/71/92/11/533719211.db2.gz ULRXTFJXKSHRJL-UPJWGTAASA-N 0 0 239.403 3.706 20 0 BHADRN CCN(CC(C)C)C(=O)[C@H](C)CC(C)(C)C ZINC000500779619 527961577 /nfs/dbraw/zinc/96/15/77/527961577.db2.gz ZZEYPWJKIGFXEJ-GFCCVEGCSA-N 0 0 227.392 3.563 20 0 BHADRN CCN(CC(C)C)C(=O)[C@@H](C)CC(C)(C)C ZINC000500779620 527960064 /nfs/dbraw/zinc/96/00/64/527960064.db2.gz ZZEYPWJKIGFXEJ-LBPRGKRZSA-N 0 0 227.392 3.563 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000500782635 534254373 /nfs/dbraw/zinc/25/43/73/534254373.db2.gz ZSZBGJJTMIICOR-BZPMIXESSA-N 0 0 246.354 3.633 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000500782636 534254272 /nfs/dbraw/zinc/25/42/72/534254272.db2.gz ZSZBGJJTMIICOR-DYEKYZERSA-N 0 0 246.354 3.633 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000500782637 534186470 /nfs/dbraw/zinc/18/64/70/534186470.db2.gz ZSZBGJJTMIICOR-MBNYWOFBSA-N 0 0 246.354 3.633 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000500782638 534186438 /nfs/dbraw/zinc/18/64/38/534186438.db2.gz ZSZBGJJTMIICOR-YRGRVCCFSA-N 0 0 246.354 3.633 20 0 BHADRN CCN(C(=O)[C@@H]1CCCC1(C)C)c1ccccc1 ZINC000500792142 529042545 /nfs/dbraw/zinc/04/25/45/529042545.db2.gz RQFTUVBVDKCCMF-AWEZNQCLSA-N 0 0 245.366 3.866 20 0 BHADRN CCN(C(=O)[C@H]1CCCC1(C)C)c1ccccc1 ZINC000500792143 529061280 /nfs/dbraw/zinc/06/12/80/529061280.db2.gz RQFTUVBVDKCCMF-CQSZACIVSA-N 0 0 245.366 3.866 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000500799315 528755097 /nfs/dbraw/zinc/75/50/97/528755097.db2.gz GGAOVFUBKMWFEP-LLVKDONJSA-N 0 0 249.354 3.768 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000500799316 528887018 /nfs/dbraw/zinc/88/70/18/528887018.db2.gz GGAOVFUBKMWFEP-NSHDSACASA-N 0 0 249.354 3.768 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000500802783 528921014 /nfs/dbraw/zinc/92/10/14/528921014.db2.gz RMHCSBHPCNNFKT-GHMZBOCLSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000500802784 528103814 /nfs/dbraw/zinc/10/38/14/528103814.db2.gz RMHCSBHPCNNFKT-MNOVXSKESA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@H]1CCCC(F)(F)C1 ZINC000500802786 528103430 /nfs/dbraw/zinc/10/34/30/528103430.db2.gz RMHCSBHPCNNFKT-QWRGUYRKSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@H]1CCCC(F)(F)C1 ZINC000500802788 528922051 /nfs/dbraw/zinc/92/20/51/528922051.db2.gz RMHCSBHPCNNFKT-WDEREUQCSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@@H](CC)CCC ZINC000500816803 528753071 /nfs/dbraw/zinc/75/30/71/528753071.db2.gz PMEOTCQZDBZVCL-NEPJUHHUSA-N 0 0 213.365 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H](CC)CCC ZINC000500816804 528885602 /nfs/dbraw/zinc/88/56/02/528885602.db2.gz PMEOTCQZDBZVCL-NWDGAFQWSA-N 0 0 213.365 3.508 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H](CC)CCC ZINC000500816805 528885105 /nfs/dbraw/zinc/88/51/05/528885105.db2.gz PMEOTCQZDBZVCL-RYUDHWBXSA-N 0 0 213.365 3.508 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@H](CC)CCC ZINC000500816806 528755051 /nfs/dbraw/zinc/75/50/51/528755051.db2.gz PMEOTCQZDBZVCL-VXGBXAGGSA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@H](C)CC(=O)N1CC[C@@H]1c1ccccc1 ZINC000500818893 528025236 /nfs/dbraw/zinc/02/52/36/528025236.db2.gz RPFRFAAKLPTRTE-DZGCQCFKSA-N 0 0 245.366 3.786 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CC[C@H]1c1ccccc1 ZINC000500818894 528872422 /nfs/dbraw/zinc/87/24/22/528872422.db2.gz RPFRFAAKLPTRTE-HIFRSBDPSA-N 0 0 245.366 3.786 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CC[C@@H]1c1ccccc1 ZINC000500818895 528872356 /nfs/dbraw/zinc/87/23/56/528872356.db2.gz RPFRFAAKLPTRTE-UKRRQHHQSA-N 0 0 245.366 3.786 20 0 BHADRN CCC[C@H](C)CC(=O)N1CC[C@H]1c1ccccc1 ZINC000500818896 528026229 /nfs/dbraw/zinc/02/62/29/528026229.db2.gz RPFRFAAKLPTRTE-ZFWWWQNUSA-N 0 0 245.366 3.786 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc(F)c1F ZINC000500822048 528756689 /nfs/dbraw/zinc/75/66/89/528756689.db2.gz AXMIRABVMKDPCQ-SECBINFHSA-N 0 0 241.281 3.730 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc(F)c1F ZINC000500822049 528886684 /nfs/dbraw/zinc/88/66/84/528886684.db2.gz AXMIRABVMKDPCQ-VIFPVBQESA-N 0 0 241.281 3.730 20 0 BHADRN CCCC[C@@H](C)C(=O)NCC1(C)CCCC1 ZINC000500823605 528753115 /nfs/dbraw/zinc/75/31/15/528753115.db2.gz OZVMGMOMXVTPHR-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC[C@H](C)C(=O)NCC1(C)CCCC1 ZINC000500823607 528883195 /nfs/dbraw/zinc/88/31/95/528883195.db2.gz OZVMGMOMXVTPHR-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc(OCC)c1 ZINC000500840656 528756663 /nfs/dbraw/zinc/75/66/63/528756663.db2.gz KQVMSUIBUUPPRU-GFCCVEGCSA-N 0 0 249.354 3.850 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc(OCC)c1 ZINC000500840658 528886884 /nfs/dbraw/zinc/88/68/84/528886884.db2.gz KQVMSUIBUUPPRU-LBPRGKRZSA-N 0 0 249.354 3.850 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000500841796 528755992 /nfs/dbraw/zinc/75/59/92/528755992.db2.gz NXYNYNIAJZOAMY-LLVKDONJSA-N 0 0 244.338 3.933 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000500842452 528886656 /nfs/dbraw/zinc/88/66/56/528886656.db2.gz NXYNYNIAJZOAMY-NSHDSACASA-N 0 0 244.338 3.933 20 0 BHADRN Cc1ncc(COc2c(C)ccc(C)c2C)s1 ZINC000500843928 226326409 /nfs/dbraw/zinc/32/64/09/226326409.db2.gz PZZDNVZULZWMIE-UHFFFAOYSA-N 0 0 247.363 3.956 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000500845832 528886030 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247.363 3.956 20 0 BHADRN CCCc1ccc(OCc2cnc(C)s2)cc1 ZINC000500876838 528626210 /nfs/dbraw/zinc/62/62/10/528626210.db2.gz SMQGEFKCGNQWCM-UHFFFAOYSA-N 0 0 247.363 3.983 20 0 BHADRN CCCCCOc1ccccc1OC(F)F ZINC000500877097 528238293 /nfs/dbraw/zinc/23/82/93/528238293.db2.gz QVSQIFPGZGGVNX-UHFFFAOYSA-N 0 0 230.254 3.857 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCC[C@H](CC)CC1 ZINC000500879422 528881545 /nfs/dbraw/zinc/88/15/45/528881545.db2.gz CIMITXLDNMEXOT-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCC[C@H](CC)CC1 ZINC000500879423 528750460 /nfs/dbraw/zinc/75/04/60/528750460.db2.gz CIMITXLDNMEXOT-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCC[C@@H](CC)CC1 ZINC000500879424 528881282 /nfs/dbraw/zinc/88/12/82/528881282.db2.gz CIMITXLDNMEXOT-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCC[C@@H](CC)CC1 ZINC000500879425 528749694 /nfs/dbraw/zinc/74/96/94/528749694.db2.gz CIMITXLDNMEXOT-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCCn1cc(-c2ccccc2)cn1 ZINC000500879805 528286934 /nfs/dbraw/zinc/28/69/34/528286934.db2.gz DBDXGHIPMXCGPP-UHFFFAOYSA-N 0 0 214.312 3.740 20 0 BHADRN CC1(C)CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000500894334 529012290 /nfs/dbraw/zinc/01/22/90/529012290.db2.gz JAWURKAGRUWJLJ-UHFFFAOYSA-N 0 0 248.301 3.593 20 0 BHADRN Cc1ccc2oc(N3CCC(C)(C)CC3)nc2c1 ZINC000500898739 534537177 /nfs/dbraw/zinc/53/71/77/534537177.db2.gz PGGRXHAVESZJOF-UHFFFAOYSA-N 0 0 244.338 3.763 20 0 BHADRN CC[C@@H](C)C(=O)N(C)c1cccc2ccccc21 ZINC000500906299 529299663 /nfs/dbraw/zinc/29/96/63/529299663.db2.gz ONEKWOCEARBIMU-GFCCVEGCSA-N 0 0 241.334 3.849 20 0 BHADRN CC[C@H](C)C(=O)N(C)c1cccc2ccccc21 ZINC000500906300 529629403 /nfs/dbraw/zinc/62/94/03/529629403.db2.gz ONEKWOCEARBIMU-LBPRGKRZSA-N 0 0 241.334 3.849 20 0 BHADRN CC(C)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000500908312 528096536 /nfs/dbraw/zinc/09/65/36/528096536.db2.gz ZJJQIRAKXYKNRB-UHFFFAOYSA-N 0 0 245.366 3.616 20 0 BHADRN CCC1(CC)CN(C(=O)C(C)C)c2ccccc21 ZINC000500908883 385161248 /nfs/dbraw/zinc/16/12/48/385161248.db2.gz NXFKMWCBPXDWDM-UHFFFAOYSA-N 0 0 245.366 3.747 20 0 BHADRN CCCCC(=O)NCc1ccc(C(C)C)cc1 ZINC000500911658 528090873 /nfs/dbraw/zinc/09/08/73/528090873.db2.gz IDCKBNGZFBKPJP-UHFFFAOYSA-N 0 0 233.355 3.616 20 0 BHADRN CC(C)CCC(=O)NCc1ccc(C(C)C)cc1 ZINC000500914247 527698668 /nfs/dbraw/zinc/69/86/68/527698668.db2.gz RQWAWWYGDYTQKT-UHFFFAOYSA-N 0 0 247.382 3.862 20 0 BHADRN CCC[C@@H](C)C(=O)N(CC)c1cccc(C)c1 ZINC000500915446 528850385 /nfs/dbraw/zinc/85/03/85/528850385.db2.gz DJKFMEJEGRHVOI-CYBMUJFWSA-N 0 0 233.355 3.784 20 0 BHADRN CCC[C@H](C)C(=O)N(CC)c1cccc(C)c1 ZINC000500915447 527993243 /nfs/dbraw/zinc/99/32/43/527993243.db2.gz DJKFMEJEGRHVOI-ZDUSSCGKSA-N 0 0 233.355 3.784 20 0 BHADRN CCN(C(=O)[C@H]1CC=CCC1)c1cccc(C)c1 ZINC000500918111 529061294 /nfs/dbraw/zinc/06/12/94/529061294.db2.gz KYYKKFHMNOLJOA-AWEZNQCLSA-N 0 0 243.350 3.704 20 0 BHADRN CCN(C(=O)[C@@H]1CC=CCC1)c1cccc(C)c1 ZINC000500918112 529042810 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/nfs/dbraw/zinc/59/22/04/528592204.db2.gz LVHFFDUNPGFIQG-NEPJUHHUSA-N 0 0 245.357 3.979 20 0 BHADRN CC(C)C[C@@H]1CCC[C@@H](NC2(C(F)F)CC2)C1 ZINC000503892347 528381541 /nfs/dbraw/zinc/38/15/41/528381541.db2.gz LVHFFDUNPGFIQG-NWDGAFQWSA-N 0 0 245.357 3.979 20 0 BHADRN CC(C)C[C@@H]1CCC[C@H](NC2(C(F)F)CC2)C1 ZINC000503892348 528382548 /nfs/dbraw/zinc/38/25/48/528382548.db2.gz LVHFFDUNPGFIQG-RYUDHWBXSA-N 0 0 245.357 3.979 20 0 BHADRN CC(C)C[C@H]1CCC[C@@H](NC2(C(F)F)CC2)C1 ZINC000503892349 528591719 /nfs/dbraw/zinc/59/17/19/528591719.db2.gz LVHFFDUNPGFIQG-VXGBXAGGSA-N 0 0 245.357 3.979 20 0 BHADRN Cc1cccc([C@@H](C)NC2(C(F)F)CC2)c1C ZINC000503893643 226336646 /nfs/dbraw/zinc/33/66/46/226336646.db2.gz PCRJRBLKWQSXGT-LLVKDONJSA-N 0 0 239.309 3.752 20 0 BHADRN Cc1cccc([C@H](C)NC2(C(F)F)CC2)c1C ZINC000503893645 226336522 /nfs/dbraw/zinc/33/65/22/226336522.db2.gz PCRJRBLKWQSXGT-NSHDSACASA-N 0 0 239.309 3.752 20 0 BHADRN CC(C)(C)C1CCC(NC2(C(F)F)CC2)CC1 ZINC000503910572 527632226 /nfs/dbraw/zinc/63/22/26/527632226.db2.gz MOGYAARBHBHYRE-UHFFFAOYSA-N 0 0 245.357 3.979 20 0 BHADRN Cc1ccc(C)c([C@@H](C)NC2(C(F)F)CC2)c1 ZINC000503911505 533711870 /nfs/dbraw/zinc/71/18/70/533711870.db2.gz PEJCIZQLEKURSW-LLVKDONJSA-N 0 0 239.309 3.752 20 0 BHADRN Cc1ccc(C)c([C@H](C)NC2(C(F)F)CC2)c1 ZINC000503911507 226336793 /nfs/dbraw/zinc/33/67/93/226336793.db2.gz PEJCIZQLEKURSW-NSHDSACASA-N 0 0 239.309 3.752 20 0 BHADRN Cc1ccc([C@@H](C)NC2(C(F)F)CC2)c(C)c1 ZINC000503915170 226336821 /nfs/dbraw/zinc/33/68/21/226336821.db2.gz ZCUDHQJRKZJBOU-LLVKDONJSA-N 0 0 239.309 3.752 20 0 BHADRN Cc1ccc([C@H](C)NC2(C(F)F)CC2)c(C)c1 ZINC000503915171 226336809 /nfs/dbraw/zinc/33/68/09/226336809.db2.gz ZCUDHQJRKZJBOU-NSHDSACASA-N 0 0 239.309 3.752 20 0 BHADRN Cc1ccc(CCN(C#N)c2ccccc2)cc1 ZINC000503915427 533783110 /nfs/dbraw/zinc/78/31/10/533783110.db2.gz CDKVSXUFZSXSOP-UHFFFAOYSA-N 0 0 236.318 3.525 20 0 BHADRN c1cn(CCc2ccccc2)nc1-c1ccccc1 ZINC000503917466 362944604 /nfs/dbraw/zinc/94/46/04/362944604.db2.gz CJQRKINHGDHDMO-UHFFFAOYSA-N 0 0 248.329 3.793 20 0 BHADRN c1ccc(CCOc2cccc3ncccc32)cc1 ZINC000503917697 362944226 /nfs/dbraw/zinc/94/42/26/362944226.db2.gz IHLQOJBXUNFZQW-UHFFFAOYSA-N 0 0 249.313 3.856 20 0 BHADRN Fc1cccc(OCCc2ccccc2)c1F ZINC000503933358 534523453 /nfs/dbraw/zinc/52/34/53/534523453.db2.gz AIGQNBBDNBVDIH-UHFFFAOYSA-N 0 0 234.245 3.586 20 0 BHADRN CC(C)[C@@H]1CC[C@H](NC2(C(F)F)CC2)C[C@@H]1C ZINC000503941173 528707436 /nfs/dbraw/zinc/70/74/36/528707436.db2.gz FXNXPTCCPUUTEI-SRVKXCTJSA-N 0 0 245.357 3.835 20 0 BHADRN CC(C)[C@@H]1CC[C@@H](NC2(C(F)F)CC2)C[C@@H]1C ZINC000503941174 528707078 /nfs/dbraw/zinc/70/70/78/528707078.db2.gz FXNXPTCCPUUTEI-TUAOUCFPSA-N 0 0 245.357 3.835 20 0 BHADRN CC(C)[C@@H]1CC[C@@H](NC2(C(F)F)CC2)C[C@H]1C ZINC000503941175 528707573 /nfs/dbraw/zinc/70/75/73/528707573.db2.gz FXNXPTCCPUUTEI-UTUOFQBUSA-N 0 0 245.357 3.835 20 0 BHADRN CC(C)[C@@H]1CC[C@H](NC2(C(F)F)CC2)C[C@H]1C ZINC000503941176 528707509 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UGZHROWFISJKLX-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)CCC1CCCCC1 ZINC000503967395 529203729 /nfs/dbraw/zinc/20/37/29/529203729.db2.gz UGZHROWFISJKLX-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)CCC1CCCCC1 ZINC000503967396 529239448 /nfs/dbraw/zinc/23/94/48/529239448.db2.gz UGZHROWFISJKLX-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN Cc1cccc(COc2cc(F)cc(F)c2)c1 ZINC000503969650 226337283 /nfs/dbraw/zinc/33/72/83/226337283.db2.gz QAZPRPRKOPRFQN-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CCCC)C1CC1 ZINC000503970167 528749048 /nfs/dbraw/zinc/74/90/48/528749048.db2.gz QCEHBXHFBSFKGS-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@H](C)C(=O)N(CCCC)C1CC1 ZINC000503970168 528879960 /nfs/dbraw/zinc/87/99/60/528879960.db2.gz QCEHBXHFBSFKGS-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000503972816 528880447 /nfs/dbraw/zinc/88/04/47/528880447.db2.gz BATCVSYOKSWCDQ-HZSPNIEDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000503972817 528880344 /nfs/dbraw/zinc/88/03/44/528880344.db2.gz BATCVSYOKSWCDQ-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000503972819 528880607 /nfs/dbraw/zinc/88/06/07/528880607.db2.gz BATCVSYOKSWCDQ-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000503972820 528880628 /nfs/dbraw/zinc/88/06/28/528880628.db2.gz BATCVSYOKSWCDQ-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](C)C(=O)N(C)[C@@H](C)c1ccco1 ZINC000503973755 528748953 /nfs/dbraw/zinc/74/89/53/528748953.db2.gz IDUVVCLKTSVKCI-NEPJUHHUSA-N 0 0 237.343 3.625 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)[C@H](C)c1ccco1 ZINC000503973756 528880226 /nfs/dbraw/zinc/88/02/26/528880226.db2.gz IDUVVCLKTSVKCI-NWDGAFQWSA-N 0 0 237.343 3.625 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)[C@@H](C)c1ccco1 ZINC000503973757 528880484 /nfs/dbraw/zinc/88/04/84/528880484.db2.gz IDUVVCLKTSVKCI-RYUDHWBXSA-N 0 0 237.343 3.625 20 0 BHADRN CCCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccco1 ZINC000503973758 528748495 /nfs/dbraw/zinc/74/84/95/528748495.db2.gz IDUVVCLKTSVKCI-VXGBXAGGSA-N 0 0 237.343 3.625 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CCC)CC(C)C ZINC000503974167 528749283 /nfs/dbraw/zinc/74/92/83/528749283.db2.gz LHURAKQYHYEIEZ-CYBMUJFWSA-N 0 0 227.392 3.707 20 0 BHADRN CCCC[C@H](C)C(=O)N(CCC)CC(C)C ZINC000503974168 528880093 /nfs/dbraw/zinc/88/00/93/528880093.db2.gz LHURAKQYHYEIEZ-ZDUSSCGKSA-N 0 0 227.392 3.707 20 0 BHADRN CCCC[C@@H](C)C(=O)N(C)C1CCCCCC1 ZINC000503974532 528748554 /nfs/dbraw/zinc/74/85/54/528748554.db2.gz OKAHZZCJHBFGAS-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)C1CCCCCC1 ZINC000503974533 528880458 /nfs/dbraw/zinc/88/04/58/528880458.db2.gz OKAHZZCJHBFGAS-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN Cc1ccccc1COc1cc(F)cc(F)c1 ZINC000503979244 226337226 /nfs/dbraw/zinc/33/72/26/226337226.db2.gz CUCCROYGDNKCOK-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN CCN(Cc1c(F)cccc1Cl)C(C)C ZINC000503983404 528756619 /nfs/dbraw/zinc/75/66/19/528756619.db2.gz AGRYFTQHZFJJFR-UHFFFAOYSA-N 0 0 229.726 3.709 20 0 BHADRN CCN(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000503984348 528756194 /nfs/dbraw/zinc/75/61/94/528756194.db2.gz DXYUDYNHBWRQCK-UHFFFAOYSA-N 0 0 244.165 3.978 20 0 BHADRN Fc1cc(F)cc(OCc2ccccc2F)c1 ZINC000503989218 534449848 /nfs/dbraw/zinc/44/98/48/534449848.db2.gz TXYCLSDDKSRNLN-UHFFFAOYSA-N 0 0 238.208 3.683 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000503989287 528754470 /nfs/dbraw/zinc/75/44/70/528754470.db2.gz IMTRHXXLJVJCDC-LLVKDONJSA-N 0 0 244.338 3.933 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000503989289 528886981 /nfs/dbraw/zinc/88/69/81/528886981.db2.gz IMTRHXXLJVJCDC-NSHDSACASA-N 0 0 244.338 3.933 20 0 BHADRN Cc1ccc(COc2cc(F)cc(F)c2)cc1 ZINC000503993719 226337634 /nfs/dbraw/zinc/33/76/34/226337634.db2.gz KVGKKKRPRXYZMV-UHFFFAOYSA-N 0 0 234.245 3.852 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccccc1N(C)C ZINC000504001222 528755639 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ZINC000504940687 528504459 /nfs/dbraw/zinc/50/44/59/528504459.db2.gz FMWCZIMWNWJJRP-VOMCLLRMSA-N 0 0 216.390 3.581 20 0 BHADRN CCC1(C)CCN(C(=O)CC2CCCC2)CC1 ZINC000504942867 529018806 /nfs/dbraw/zinc/01/88/06/529018806.db2.gz IMTFORFHMRENST-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CCCc1ccc(OC)c(OCCCCF)c1 ZINC000504942928 528624292 /nfs/dbraw/zinc/62/42/92/528624292.db2.gz NROBDCRCNFVXHX-UHFFFAOYSA-N 0 0 240.318 3.776 20 0 BHADRN CCCc1ccc(OC)c(OCC[C@@H](C)F)c1 ZINC000504944285 528623838 /nfs/dbraw/zinc/62/38/38/528623838.db2.gz VFJLUPNEZFXOOR-LLVKDONJSA-N 0 0 240.318 3.775 20 0 BHADRN CCCc1ccc(OC)c(OCC[C@H](C)F)c1 ZINC000504944286 528624148 /nfs/dbraw/zinc/62/41/48/528624148.db2.gz VFJLUPNEZFXOOR-NSHDSACASA-N 0 0 240.318 3.775 20 0 BHADRN Cc1ccc2c(c1)nc(C)cc2OCCCCF ZINC000504947294 226352228 /nfs/dbraw/zinc/35/22/28/226352228.db2.gz FGJQXIZILRVDCY-UHFFFAOYSA-N 0 0 247.313 3.980 20 0 BHADRN COc1ccc(C)cc1CSCCCCF ZINC000504947308 533389168 /nfs/dbraw/zinc/38/91/68/533389168.db2.gz FISUVUREGXXMDE-UHFFFAOYSA-N 0 0 242.359 3.987 20 0 BHADRN C[C@@H](F)CCSc1ncc(C(C)(C)C)o1 ZINC000504947558 534280045 /nfs/dbraw/zinc/28/00/45/534280045.db2.gz FUQJMYWUDZEHOJ-MRVPVSSYSA-N 0 0 231.336 3.812 20 0 BHADRN C[C@H](F)CCSc1ncc(C(C)(C)C)o1 ZINC000504947561 226352268 /nfs/dbraw/zinc/35/22/68/226352268.db2.gz FUQJMYWUDZEHOJ-QMMMGPOBSA-N 0 0 231.336 3.812 20 0 BHADRN Cc1cc(OCC[C@@H](C)F)c2c(C)cccc2n1 ZINC000504947621 226352219 /nfs/dbraw/zinc/35/22/19/226352219.db2.gz GBGYAGDSBIESSB-LLVKDONJSA-N 0 0 247.313 3.979 20 0 BHADRN Cc1cc(OCC[C@H](C)F)c2c(C)cccc2n1 ZINC000504947622 226352154 /nfs/dbraw/zinc/35/21/54/226352154.db2.gz GBGYAGDSBIESSB-NSHDSACASA-N 0 0 247.313 3.979 20 0 BHADRN Cc1ccc2c(c1)nc(C)cc2OCC[C@@H](C)F ZINC000504948808 226352249 /nfs/dbraw/zinc/35/22/49/226352249.db2.gz LPAFXUUBLHXJMC-LLVKDONJSA-N 0 0 247.313 3.979 20 0 BHADRN Cc1ccc2c(c1)nc(C)cc2OCC[C@H](C)F ZINC000504948809 226352298 /nfs/dbraw/zinc/35/22/98/226352298.db2.gz LPAFXUUBLHXJMC-NSHDSACASA-N 0 0 247.313 3.979 20 0 BHADRN COCCCCSCc1ccc(C)c(C)c1 ZINC000504948901 226352252 /nfs/dbraw/zinc/35/22/52/226352252.db2.gz MHYDBIVYJQAGRT-UHFFFAOYSA-N 0 0 238.396 3.963 20 0 BHADRN COc1ccc(C)cc1CSCC[C@@H](C)F ZINC000504949842 533389440 /nfs/dbraw/zinc/38/94/40/533389440.db2.gz RIERCFVUTVEDFQ-LLVKDONJSA-N 0 0 242.359 3.985 20 0 BHADRN COc1ccc(C)cc1CSCC[C@H](C)F ZINC000504949846 533389851 /nfs/dbraw/zinc/38/98/51/533389851.db2.gz RIERCFVUTVEDFQ-NSHDSACASA-N 0 0 242.359 3.985 20 0 BHADRN Cc1cc(OCCCCF)c2c(C)cccc2n1 ZINC000504950685 226352221 /nfs/dbraw/zinc/35/22/21/226352221.db2.gz VLALLARBMWAQHG-UHFFFAOYSA-N 0 0 247.313 3.980 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NC1CC(C(C)(C)C)C1 ZINC000504952096 529410172 /nfs/dbraw/zinc/41/01/72/529410172.db2.gz UOZBFTALQKUPEG-IALDZJHCSA-N 0 0 239.403 3.610 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)NC1CC(C(C)(C)C)C1 ZINC000504952097 529389702 /nfs/dbraw/zinc/38/97/02/529389702.db2.gz UOZBFTALQKUPEG-OKZRHMCRSA-N 0 0 239.403 3.610 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NC1CC(C(C)(C)C)C1 ZINC000504952098 529199214 /nfs/dbraw/zinc/19/92/14/529199214.db2.gz UOZBFTALQKUPEG-ZFDZMSFRSA-N 0 0 239.403 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NC1CC(C(C)(C)C)C1 ZINC000504952099 529234636 /nfs/dbraw/zinc/23/46/36/529234636.db2.gz UOZBFTALQKUPEG-ZSVAQUKISA-N 0 0 239.403 3.610 20 0 BHADRN CCC1(C)CCN(C(=O)C2CCCCC2)CC1 ZINC000504953232 529018750 /nfs/dbraw/zinc/01/87/50/529018750.db2.gz HUWFJPQVSLKUPG-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1cc(OCCCCF)c2ccccc2n1 ZINC000504955221 226352246 /nfs/dbraw/zinc/35/22/46/226352246.db2.gz IXWUYOLPQOTUGF-UHFFFAOYSA-N 0 0 233.286 3.672 20 0 BHADRN CC(C)COc1ccc(OCCCCF)cc1 ZINC000504956469 528160533 /nfs/dbraw/zinc/16/05/33/528160533.db2.gz UREBODBTOXGFDA-UHFFFAOYSA-N 0 0 240.318 3.850 20 0 BHADRN Cc1cc(OCC[C@H](C)F)c2ccccc2n1 ZINC000504956910 226352156 /nfs/dbraw/zinc/35/21/56/226352156.db2.gz XXWIAZXZWKWPKF-JTQLQIEISA-N 0 0 233.286 3.670 20 0 BHADRN Cc1cc(OCC[C@@H](C)F)c2ccccc2n1 ZINC000504956911 226352137 /nfs/dbraw/zinc/35/21/37/226352137.db2.gz XXWIAZXZWKWPKF-SNVBAGLBSA-N 0 0 233.286 3.670 20 0 BHADRN CC(C)C(C)(C)C(=O)NC1CC(C(C)(C)C)C1 ZINC000504957666 527558644 /nfs/dbraw/zinc/55/86/44/527558644.db2.gz PSSPCVPZKISJCR-UHFFFAOYSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)[C@@H](C)CC(=O)NC1CC(C(C)(C)C)C1 ZINC000504958474 528387182 /nfs/dbraw/zinc/38/71/82/528387182.db2.gz YPNPRNYUCAGMCG-HIFPTAJRSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)[C@H](C)CC(=O)NC1CC(C(C)(C)C)C1 ZINC000504958475 528939207 /nfs/dbraw/zinc/93/92/07/528939207.db2.gz YPNPRNYUCAGMCG-PNESKVBLSA-N 0 0 239.403 3.610 20 0 BHADRN COCCCCSCc1cc(C)cc(C)c1 ZINC000504961412 226352235 /nfs/dbraw/zinc/35/22/35/226352235.db2.gz HZPCJMFUZUDJQR-UHFFFAOYSA-N 0 0 238.396 3.963 20 0 BHADRN Cc1ccc(-c2nc(-c3ccc(C)cc3)no2)o1 ZINC000504961820 534204980 /nfs/dbraw/zinc/20/49/80/534204980.db2.gz HFYBGONHZJEDTE-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN Cc1cc(C)c2cccc(OCCCCF)c2n1 ZINC000504963047 226352135 /nfs/dbraw/zinc/35/21/35/226352135.db2.gz TVOJWDIEQFYMLS-UHFFFAOYSA-N 0 0 247.313 3.980 20 0 BHADRN Cc1cc(C)c2cccc(OCC[C@@H](C)F)c2n1 ZINC000504963092 226352255 /nfs/dbraw/zinc/35/22/55/226352255.db2.gz UHJZXVVJDHKXLX-LLVKDONJSA-N 0 0 247.313 3.979 20 0 BHADRN Cc1cc(C)c2cccc(OCC[C@H](C)F)c2n1 ZINC000504963093 226352240 /nfs/dbraw/zinc/35/22/40/226352240.db2.gz UHJZXVVJDHKXLX-NSHDSACASA-N 0 0 247.313 3.979 20 0 BHADRN C[C@@H](F)CCOc1cnccc1-c1ccccc1 ZINC000504963235 226352199 /nfs/dbraw/zinc/35/21/99/226352199.db2.gz UXZIAQQPPSWGOY-GFCCVEGCSA-N 0 0 245.297 3.876 20 0 BHADRN C[C@H](F)CCOc1cnccc1-c1ccccc1 ZINC000504963236 226352272 /nfs/dbraw/zinc/35/22/72/226352272.db2.gz UXZIAQQPPSWGOY-LBPRGKRZSA-N 0 0 245.297 3.876 20 0 BHADRN N#CN(Cc1sccc1Cl)c1ccccc1 ZINC000504963590 226352188 /nfs/dbraw/zinc/35/21/88/226352188.db2.gz XMMPVJLNMOCASX-UHFFFAOYSA-N 0 0 248.738 3.889 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCC(C)(CC)CC1 ZINC000504964957 528871098 /nfs/dbraw/zinc/87/10/98/528871098.db2.gz FVTOFICQAJWNHI-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCC(C)(CC)CC1 ZINC000504964958 528024400 /nfs/dbraw/zinc/02/44/00/528024400.db2.gz FVTOFICQAJWNHI-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN Cc1ccc(-c2noc(CC3CCCC3)n2)cc1 ZINC000504970250 534230233 /nfs/dbraw/zinc/23/02/33/534230233.db2.gz VIYJGSJFRCOFQK-UHFFFAOYSA-N 0 0 242.322 3.778 20 0 BHADRN C/C=C/C=C\c1nc(-c2ccc(C)cc2)no1 ZINC000504970372 527614577 /nfs/dbraw/zinc/61/45/77/527614577.db2.gz VOZAZTUXPYHXKE-ICWBMWKASA-N 0 0 226.279 3.634 20 0 BHADRN CCc1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000504975923 529578231 /nfs/dbraw/zinc/57/82/31/529578231.db2.gz YTZLCDARLZDVHC-UHFFFAOYSA-N 0 0 244.338 3.888 20 0 BHADRN Cc1ccccc1-c1noc(CC2CCCC2)n1 ZINC000504979341 226352118 /nfs/dbraw/zinc/35/21/18/226352118.db2.gz CVUFOQIPNKOXSO-UHFFFAOYSA-N 0 0 242.322 3.778 20 0 BHADRN Cc1ccc(-c2noc(CCC(C)C)n2)cc1 ZINC000504981724 534231736 /nfs/dbraw/zinc/23/17/36/534231736.db2.gz XFAUIHFUSLQKPV-UHFFFAOYSA-N 0 0 230.311 3.634 20 0 BHADRN CCc1ccc(-c2noc(-c3ccco3)n2)cc1 ZINC000504984760 529578027 /nfs/dbraw/zinc/57/80/27/529578027.db2.gz ANVPVGZUCYIEEJ-UHFFFAOYSA-N 0 0 240.262 3.559 20 0 BHADRN CC/C=C(\C)c1nc(-c2ccc(C)cc2)no1 ZINC000504985547 528768443 /nfs/dbraw/zinc/76/84/43/528768443.db2.gz GVLPFNZBKXQFOF-VZUCSPMQSA-N 0 0 228.295 3.858 20 0 BHADRN CC/C=C(/C)c1nc(-c2ccc(C)cc2)no1 ZINC000504985548 528763205 /nfs/dbraw/zinc/76/32/05/528763205.db2.gz GVLPFNZBKXQFOF-WZUFQYTHSA-N 0 0 228.295 3.858 20 0 BHADRN CCCCc1nc(-c2ccc(CC)cc2)no1 ZINC000504986828 529035478 /nfs/dbraw/zinc/03/54/78/529035478.db2.gz PHOQPGRDFYCYQU-UHFFFAOYSA-N 0 0 230.311 3.642 20 0 BHADRN C/C(=C\c1nc(-c2ccccc2C)no1)C1CC1 ZINC000504989969 527535577 /nfs/dbraw/zinc/53/55/77/527535577.db2.gz CHRDYJUUUPQUBW-PKNBQFBNSA-N 0 0 240.306 3.858 20 0 BHADRN C/C=C/C=C\c1nc(-c2ccccc2C)no1 ZINC000504992080 527615460 /nfs/dbraw/zinc/61/54/60/527615460.db2.gz RKAXWPONVRUFFS-STMOGGTPSA-N 0 0 226.279 3.634 20 0 BHADRN CCc1ccc(-c2noc(C=C(C)C)n2)cc1 ZINC000504995842 529577900 /nfs/dbraw/zinc/57/79/00/529577900.db2.gz HJSDAYPIBQZTQG-UHFFFAOYSA-N 0 0 228.295 3.722 20 0 BHADRN CCCCCc1nc(CCc2ccccc2)no1 ZINC000505009930 528282319 /nfs/dbraw/zinc/28/23/19/528282319.db2.gz ZJLYHXCPXRWNCF-UHFFFAOYSA-N 0 0 244.338 3.588 20 0 BHADRN Cc1ccccc1-c1noc(CCC(C)C)n1 ZINC000505013610 226352492 /nfs/dbraw/zinc/35/24/92/226352492.db2.gz LOTPETPJBPWWRU-UHFFFAOYSA-N 0 0 230.311 3.634 20 0 BHADRN CCCCCc1nc(-c2ccccc2C)no1 ZINC000505013805 528282626 /nfs/dbraw/zinc/28/26/26/528282626.db2.gz MWVICNWZDQLZDV-UHFFFAOYSA-N 0 0 230.311 3.778 20 0 BHADRN CCC1CCN(C(=O)CCCC(C)(C)C)CC1 ZINC000505014825 527864376 /nfs/dbraw/zinc/86/43/76/527864376.db2.gz RTMMKMYNLOTOEP-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC/C=C(\C)c1nc(-c2ccccc2C)no1 ZINC000505018151 528768302 /nfs/dbraw/zinc/76/83/02/528768302.db2.gz GMHGNKDSBDRJES-YRNVUSSQSA-N 0 0 228.295 3.858 20 0 BHADRN C/C(=C/c1nc(-c2ccc(C)cc2)no1)C1CC1 ZINC000505030833 527507886 /nfs/dbraw/zinc/50/78/86/527507886.db2.gz OYYMJPONWQXHJS-LUAWRHEFSA-N 0 0 240.306 3.858 20 0 BHADRN C/C(=C\c1nc(-c2ccc(C)cc2)no1)C1CC1 ZINC000505030834 527536250 /nfs/dbraw/zinc/53/62/50/527536250.db2.gz OYYMJPONWQXHJS-PKNBQFBNSA-N 0 0 240.306 3.858 20 0 BHADRN CCc1ccc(-c2noc(CCC(C)C)n2)cc1 ZINC000505037148 529578247 /nfs/dbraw/zinc/57/82/47/529578247.db2.gz ZHNBPKFHWSCMMA-UHFFFAOYSA-N 0 0 244.338 3.888 20 0 BHADRN C/C=C/C=C\c1nc(-c2ccccc2Cl)no1 ZINC000505037191 527615078 /nfs/dbraw/zinc/61/50/78/527615078.db2.gz AAWFCRNGNWEWGO-OQIXSKIXSA-N 0 0 246.697 3.979 20 0 BHADRN Cc1noc(-c2cc3c(s2)CCCCCC3)n1 ZINC000505037903 534874911 /nfs/dbraw/zinc/87/49/11/534874911.db2.gz GOVBENDQUFKAQN-UHFFFAOYSA-N 0 0 248.351 3.766 20 0 BHADRN C/C=C/C=C/c1nc(-c2ccc(CC)cc2)no1 ZINC000505038226 527587723 /nfs/dbraw/zinc/58/77/23/527587723.db2.gz HXGZAZSDSKCJLH-TWTPFVCWSA-N 0 0 240.306 3.888 20 0 BHADRN C/C=C/C=C\c1nc(-c2ccc(CC)cc2)no1 ZINC000505038227 527614069 /nfs/dbraw/zinc/61/40/69/527614069.db2.gz HXGZAZSDSKCJLH-WZWXSLMZSA-N 0 0 240.306 3.888 20 0 BHADRN CCCc1sc(-c2nc(C)no2)cc1CC ZINC000505039025 528804689 /nfs/dbraw/zinc/80/46/89/528804689.db2.gz LWAVGCKWJNEMJF-UHFFFAOYSA-N 0 0 236.340 3.621 20 0 BHADRN Cc1ccccc1-c1noc(C[C@@H](C)C(C)C)n1 ZINC000505040162 226352454 /nfs/dbraw/zinc/35/24/54/226352454.db2.gz SBZZRLKOLHFBRJ-GFCCVEGCSA-N 0 0 244.338 3.880 20 0 BHADRN Cc1ccccc1-c1noc(C[C@H](C)C(C)C)n1 ZINC000505040163 226352396 /nfs/dbraw/zinc/35/23/96/226352396.db2.gz SBZZRLKOLHFBRJ-LBPRGKRZSA-N 0 0 244.338 3.880 20 0 BHADRN CCc1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000505043442 529578241 /nfs/dbraw/zinc/57/82/41/529578241.db2.gz CMNZALMZBYGSQV-UHFFFAOYSA-N 0 0 242.322 3.957 20 0 BHADRN CCc1ccc(-c2noc([C@@H](C)CC)n2)cc1 ZINC000505044292 529579637 /nfs/dbraw/zinc/57/96/37/529579637.db2.gz OBAXOEIWKBSXHK-JTQLQIEISA-N 0 0 230.311 3.813 20 0 BHADRN CCc1ccc(-c2noc([C@H](C)CC)n2)cc1 ZINC000505044293 529579701 /nfs/dbraw/zinc/57/97/01/529579701.db2.gz OBAXOEIWKBSXHK-SNVBAGLBSA-N 0 0 230.311 3.813 20 0 BHADRN CC(C)CCC(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000505047378 527698761 /nfs/dbraw/zinc/69/87/61/527698761.db2.gz DZNSIFDMGSYBAQ-KBPBESRZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CCC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000505047379 527698700 /nfs/dbraw/zinc/69/87/00/527698700.db2.gz DZNSIFDMGSYBAQ-KGLIPLIRSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CCC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000505047380 527698934 /nfs/dbraw/zinc/69/89/34/527698934.db2.gz DZNSIFDMGSYBAQ-UONOGXRCSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CCC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000505047381 527699011 /nfs/dbraw/zinc/69/90/11/527699011.db2.gz DZNSIFDMGSYBAQ-ZIAGYGMSSA-N 0 0 239.403 3.754 20 0 BHADRN CCCc1noc(/C=C\c2ccccc2C)n1 ZINC000505064763 528781081 /nfs/dbraw/zinc/78/10/81/528781081.db2.gz GMPLESAEEPXVHW-KTKRTIGZSA-N 0 0 228.295 3.501 20 0 BHADRN CCCc1noc(/C=C/c2ccccc2C)n1 ZINC000505064764 528781114 /nfs/dbraw/zinc/78/11/14/528781114.db2.gz GMPLESAEEPXVHW-MDZDMXLPSA-N 0 0 228.295 3.501 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000505068181 226352724 /nfs/dbraw/zinc/35/27/24/226352724.db2.gz JRAONRZYFLTWEH-CHWSQXEVSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000505068182 533598344 /nfs/dbraw/zinc/59/83/44/533598344.db2.gz JRAONRZYFLTWEH-OLZOCXBDSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)o1 ZINC000505068183 226352582 /nfs/dbraw/zinc/35/25/82/226352582.db2.gz JRAONRZYFLTWEH-QWHCGFSZSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)o1 ZINC000505068184 533597570 /nfs/dbraw/zinc/59/75/70/533597570.db2.gz JRAONRZYFLTWEH-STQMWFEESA-N 0 0 249.354 3.533 20 0 BHADRN CC(C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC000505073374 528686402 /nfs/dbraw/zinc/68/64/02/528686402.db2.gz FQBMGMBZJYLUEY-KFWWJZLASA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC000505073375 528677278 /nfs/dbraw/zinc/67/72/78/528677278.db2.gz FQBMGMBZJYLUEY-RBSFLKMASA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@@H]1CCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC000505073377 528678788 /nfs/dbraw/zinc/67/87/88/528678788.db2.gz FQBMGMBZJYLUEY-RRFJBIMHSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@@H]1CCC[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC000505073379 528686542 /nfs/dbraw/zinc/68/65/42/528686542.db2.gz FQBMGMBZJYLUEY-ZNMIVQPWSA-N 0 0 249.398 3.674 20 0 BHADRN Cc1ccccc1/C=C\c1nc(C(C)(C)C)no1 ZINC000505083176 534794423 /nfs/dbraw/zinc/79/44/23/534794423.db2.gz CGKZPPMTESEKMY-KTKRTIGZSA-N 0 0 242.322 3.846 20 0 BHADRN Cc1ccccc1/C=C/c1nc(C(C)(C)C)no1 ZINC000505083177 226352728 /nfs/dbraw/zinc/35/27/28/226352728.db2.gz CGKZPPMTESEKMY-MDZDMXLPSA-N 0 0 242.322 3.846 20 0 BHADRN CCC(CC)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000505087721 528725506 /nfs/dbraw/zinc/72/55/06/528725506.db2.gz QXJOGLGVLCBPPY-KBPBESRZSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000505087722 528725120 /nfs/dbraw/zinc/72/51/20/528725120.db2.gz QXJOGLGVLCBPPY-KGLIPLIRSA-N 0 0 239.403 3.754 20 0 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BHADRN Cc1ccc(C)c(SCc2cnc(C)nc2)c1 ZINC000505448466 226355394 /nfs/dbraw/zinc/35/53/94/226355394.db2.gz AJHQXBYGRALCKT-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN CCn1cc(CCSc2ccc(C)cc2)cn1 ZINC000505448618 226355414 /nfs/dbraw/zinc/35/54/14/226355414.db2.gz CLSPPNNTKLMTFQ-UHFFFAOYSA-N 0 0 246.379 3.546 20 0 BHADRN COCCCCSc1ccc(C)cc1C ZINC000505448645 226355461 /nfs/dbraw/zinc/35/54/61/226355461.db2.gz CXJRGDDHEPIBCA-UHFFFAOYSA-N 0 0 224.369 3.822 20 0 BHADRN COCCCCSc1ccc(C)cc1 ZINC000505448664 226355392 /nfs/dbraw/zinc/35/53/92/226355392.db2.gz DICUQXLRWHBHMB-UHFFFAOYSA-N 0 0 210.342 3.514 20 0 BHADRN FCCCCOc1ccc(F)c(Cl)c1 ZINC000505448783 226355440 /nfs/dbraw/zinc/35/54/40/226355440.db2.gz FPJDIMGEWVOSCW-UHFFFAOYSA-N 0 0 220.646 3.608 20 0 BHADRN CCOC1CC(CSc2ccc(C)cc2)C1 ZINC000505448835 528504618 /nfs/dbraw/zinc/50/46/18/528504618.db2.gz GHRAJQVHQADOIG-UHFFFAOYSA-N 0 0 236.380 3.902 20 0 BHADRN C[C@@H](F)CCOc1ccc(F)c(Cl)c1 ZINC000505449116 226355472 /nfs/dbraw/zinc/35/54/72/226355472.db2.gz KIOWFPYPMFHUFZ-SSDOTTSWSA-N 0 0 220.646 3.606 20 0 BHADRN C[C@H](F)CCOc1ccc(F)c(Cl)c1 ZINC000505449117 226355466 /nfs/dbraw/zinc/35/54/66/226355466.db2.gz KIOWFPYPMFHUFZ-ZETCQYMHSA-N 0 0 220.646 3.606 20 0 BHADRN Cc1ccc(SCc2cnc(C)nc2)c(C)c1 ZINC000505449159 226355396 /nfs/dbraw/zinc/35/53/96/226355396.db2.gz KYGFGVNNEALAEB-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN COCCCCSc1cc(C)ccc1C ZINC000505449292 226355487 /nfs/dbraw/zinc/35/54/87/226355487.db2.gz MTEJYRDTDAYDCQ-UHFFFAOYSA-N 0 0 224.369 3.822 20 0 BHADRN FCCCCOc1ccc(F)cc1Cl ZINC000505449440 226355389 /nfs/dbraw/zinc/35/53/89/226355389.db2.gz OSIKQJRFMXPSLS-UHFFFAOYSA-N 0 0 220.646 3.608 20 0 BHADRN C[C@@H](F)CCOc1ccc(F)cc1Cl ZINC000505449657 226355428 /nfs/dbraw/zinc/35/54/28/226355428.db2.gz SADNICGLQIKXRN-SSDOTTSWSA-N 0 0 220.646 3.606 20 0 BHADRN C[C@H](F)CCOc1ccc(F)cc1Cl ZINC000505449658 226355486 /nfs/dbraw/zinc/35/54/86/226355486.db2.gz SADNICGLQIKXRN-ZETCQYMHSA-N 0 0 220.646 3.606 20 0 BHADRN C[C@@H](F)CCOc1ccc(Cl)cc1F ZINC000505449749 226355465 /nfs/dbraw/zinc/35/54/65/226355465.db2.gz TYNUVKKWUZDVBP-SSDOTTSWSA-N 0 0 220.646 3.606 20 0 BHADRN C[C@H](F)CCOc1ccc(Cl)cc1F ZINC000505449750 226355391 /nfs/dbraw/zinc/35/53/91/226355391.db2.gz TYNUVKKWUZDVBP-ZETCQYMHSA-N 0 0 220.646 3.606 20 0 BHADRN CCc1cccc(NC(=O)NCCC(C)(C)C)c1 ZINC000505452707 529540052 /nfs/dbraw/zinc/54/00/52/529540052.db2.gz DUJYAVJZEYJFBU-UHFFFAOYSA-N 0 0 248.370 3.807 20 0 BHADRN Cc1ccc2[nH]c(SCC[C@@H](C)F)nc2c1 ZINC000505454494 534509066 /nfs/dbraw/zinc/50/90/66/534509066.db2.gz BCWAURAANCZRBK-SECBINFHSA-N 0 0 238.331 3.712 20 0 BHADRN Cc1ccc2[nH]c(SCC[C@H](C)F)nc2c1 ZINC000505454495 534508302 /nfs/dbraw/zinc/50/83/02/534508302.db2.gz BCWAURAANCZRBK-VIFPVBQESA-N 0 0 238.331 3.712 20 0 BHADRN COCCCCOc1c(Cl)cccc1Cl ZINC000505455016 533267980 /nfs/dbraw/zinc/26/79/80/533267980.db2.gz FGTCCSWQEVECAN-UHFFFAOYSA-N 0 0 249.137 3.799 20 0 BHADRN COCCCCSCc1ccc(Cl)cc1 ZINC000505455075 226355388 /nfs/dbraw/zinc/35/53/88/226355388.db2.gz GEDXHENRJMSUKO-UHFFFAOYSA-N 0 0 244.787 4.000 20 0 BHADRN Clc1cnccc1CSC1CCCC1 ZINC000505455118 226355419 /nfs/dbraw/zinc/35/54/19/226355419.db2.gz GSEZBWRQORDTCS-UHFFFAOYSA-N 0 0 227.760 3.911 20 0 BHADRN Cc1ccc2[nH]c(SCCCCF)nc2c1 ZINC000505456111 398080729 /nfs/dbraw/zinc/08/07/29/398080729.db2.gz VVLAZWSWGJQZIL-UHFFFAOYSA-N 0 0 238.331 3.713 20 0 BHADRN CCOC(=O)CC[C@@H](C)Sc1ccccc1 ZINC000505456248 398081116 /nfs/dbraw/zinc/08/11/16/398081116.db2.gz XOKFAMRYKFVGEM-LLVKDONJSA-N 0 0 238.352 3.511 20 0 BHADRN CCOC(=O)CC[C@H](C)Sc1ccccc1 ZINC000505456249 398080964 /nfs/dbraw/zinc/08/09/64/398080964.db2.gz XOKFAMRYKFVGEM-NSHDSACASA-N 0 0 238.352 3.511 20 0 BHADRN CC[C@@H]1CCCN1C(=O)CCCC(C)(C)C ZINC000505460717 398081127 /nfs/dbraw/zinc/08/11/27/398081127.db2.gz FKFAVNYZWNVKIB-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CC[C@H]1CCCN1C(=O)CCCC(C)(C)C ZINC000505460718 256795737 /nfs/dbraw/zinc/79/57/37/256795737.db2.gz FKFAVNYZWNVKIB-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1ccc(Cl)c(OCC[C@@H](C)F)c1 ZINC000505461352 229244381 /nfs/dbraw/zinc/24/43/81/229244381.db2.gz JYIVNZHSSCBFHG-SECBINFHSA-N 0 0 216.683 3.775 20 0 BHADRN Cc1ccc(Cl)c(OCC[C@H](C)F)c1 ZINC000505461353 229244699 /nfs/dbraw/zinc/24/46/99/229244699.db2.gz JYIVNZHSSCBFHG-VIFPVBQESA-N 0 0 216.683 3.775 20 0 BHADRN COCCCCSc1ccccc1Cl ZINC000505462686 226355573 /nfs/dbraw/zinc/35/55/73/226355573.db2.gz SXEWQQSJRBJTDH-UHFFFAOYSA-N 0 0 230.760 3.859 20 0 BHADRN Cc1ccc(SCc2cnc(C)nc2)cc1C ZINC000505463089 226355629 /nfs/dbraw/zinc/35/56/29/226355629.db2.gz WZUMUVFWDFWBAR-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN C[C@@H](F)CCOc1ccccc1C(F)(F)F ZINC000505466128 226355621 /nfs/dbraw/zinc/35/56/21/226355621.db2.gz CDCDAODVCXDBGR-MRVPVSSYSA-N 0 0 236.208 3.832 20 0 BHADRN C[C@H](F)CCOc1ccccc1C(F)(F)F ZINC000505466129 226355684 /nfs/dbraw/zinc/35/56/84/226355684.db2.gz CDCDAODVCXDBGR-QMMMGPOBSA-N 0 0 236.208 3.832 20 0 BHADRN FCCCCOc1ccccc1C(F)(F)F ZINC000505468984 534429453 /nfs/dbraw/zinc/42/94/53/534429453.db2.gz YEXJQXSPVKNAPA-UHFFFAOYSA-N 0 0 236.208 3.834 20 0 BHADRN C[C@@H](F)CCOc1ccc(C(F)(F)F)cc1 ZINC000505472976 226355528 /nfs/dbraw/zinc/35/55/28/226355528.db2.gz FOMBWPRCNBAKPM-MRVPVSSYSA-N 0 0 236.208 3.832 20 0 BHADRN C[C@H](F)CCOc1ccc(C(F)(F)F)cc1 ZINC000505472977 226355685 /nfs/dbraw/zinc/35/56/85/226355685.db2.gz FOMBWPRCNBAKPM-QMMMGPOBSA-N 0 0 236.208 3.832 20 0 BHADRN COCCCCSc1ccc2c(c1)CCC2 ZINC000505473186 226355625 /nfs/dbraw/zinc/35/56/25/226355625.db2.gz HARIPWWJNWINNG-UHFFFAOYSA-N 0 0 236.380 3.694 20 0 BHADRN FCCCCOc1ccc(C(F)(F)F)cc1 ZINC000505474095 226355574 /nfs/dbraw/zinc/35/55/74/226355574.db2.gz MPAUPQRCTORPRW-UHFFFAOYSA-N 0 0 236.208 3.834 20 0 BHADRN COCCCCOc1ccc(C(F)(F)F)cc1 ZINC000505475111 533267799 /nfs/dbraw/zinc/26/77/99/533267799.db2.gz YEKYINAWADPAKV-UHFFFAOYSA-N 0 0 248.244 3.511 20 0 BHADRN FCCCCSc1ccc(F)c(F)c1 ZINC000505479302 534429911 /nfs/dbraw/zinc/42/99/11/534429911.db2.gz FRWNSFBAEVKFMT-UHFFFAOYSA-N 0 0 220.259 3.807 20 0 BHADRN FCCCCSc1ncnc2ccsc21 ZINC000505480452 534430695 /nfs/dbraw/zinc/43/06/95/534430695.db2.gz MPCWCWCPNCRIKB-UHFFFAOYSA-N 0 0 242.344 3.533 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000505480502 533714708 /nfs/dbraw/zinc/71/47/08/533714708.db2.gz NCLOFPLVJYPKRB-NEPJUHHUSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](N(C)C(=O)[C@@H](C)CC(C)(C)C)C1(C)CC1 ZINC000505480503 534282346 /nfs/dbraw/zinc/28/23/46/534282346.db2.gz NCLOFPLVJYPKRB-NWDGAFQWSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000505480504 533462469 /nfs/dbraw/zinc/46/24/69/533462469.db2.gz NCLOFPLVJYPKRB-RYUDHWBXSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000505480505 533714782 /nfs/dbraw/zinc/71/47/82/533714782.db2.gz NCLOFPLVJYPKRB-VXGBXAGGSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](F)CCSc1ccc(F)c(F)c1 ZINC000505482089 534280169 /nfs/dbraw/zinc/28/01/69/534280169.db2.gz WCQRXHXBMTZARF-SSDOTTSWSA-N 0 0 220.259 3.805 20 0 BHADRN C[C@H](F)CCSc1ccc(F)c(F)c1 ZINC000505482092 226355841 /nfs/dbraw/zinc/35/58/41/226355841.db2.gz WCQRXHXBMTZARF-ZETCQYMHSA-N 0 0 220.259 3.805 20 0 BHADRN C[C@@H](F)CCSc1ncnc2ccsc21 ZINC000505482169 534280007 /nfs/dbraw/zinc/28/00/07/534280007.db2.gz XETZKKKEZPKRRN-SSDOTTSWSA-N 0 0 242.344 3.532 20 0 BHADRN C[C@H](F)CCSc1ncnc2ccsc21 ZINC000505482170 226355772 /nfs/dbraw/zinc/35/57/72/226355772.db2.gz XETZKKKEZPKRRN-ZETCQYMHSA-N 0 0 242.344 3.532 20 0 BHADRN C[C@@H](F)CCSc1ccc(F)cc1F ZINC000505493867 534279904 /nfs/dbraw/zinc/27/99/04/534279904.db2.gz KAEZLQVOQVJGNN-SSDOTTSWSA-N 0 0 220.259 3.805 20 0 BHADRN C[C@H](F)CCSc1ccc(F)cc1F ZINC000505493868 226355799 /nfs/dbraw/zinc/35/57/99/226355799.db2.gz KAEZLQVOQVJGNN-ZETCQYMHSA-N 0 0 220.259 3.805 20 0 BHADRN CCCCN(CCCC)C(=O)C1CC(C)(C)C1 ZINC000505495335 528400287 /nfs/dbraw/zinc/40/02/87/528400287.db2.gz RPLDXCLSZVIGCB-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@@H](F)CCSc1cc(F)ccc1F ZINC000505495904 534280056 /nfs/dbraw/zinc/28/00/56/534280056.db2.gz VAQJFLDBXIQCLE-SSDOTTSWSA-N 0 0 220.259 3.805 20 0 BHADRN C[C@H](F)CCSc1cc(F)ccc1F ZINC000505495905 226355766 /nfs/dbraw/zinc/35/57/66/226355766.db2.gz VAQJFLDBXIQCLE-ZETCQYMHSA-N 0 0 220.259 3.805 20 0 BHADRN FCCCCSc1cc(F)ccc1F ZINC000505496117 534430219 /nfs/dbraw/zinc/43/02/19/534430219.db2.gz WAYMMNQHVINGBD-UHFFFAOYSA-N 0 0 220.259 3.807 20 0 BHADRN Cc1ccc(OCc2sccc2Cl)nc1 ZINC000505499061 226355857 /nfs/dbraw/zinc/35/58/57/226355857.db2.gz ADOZBCZXGGVHMO-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN C[C@@H](F)CCOc1ccc(Cl)c(F)c1 ZINC000505501085 226355863 /nfs/dbraw/zinc/35/58/63/226355863.db2.gz NBWNOLOKLSTYCA-SSDOTTSWSA-N 0 0 220.646 3.606 20 0 BHADRN C[C@H](F)CCOc1ccc(Cl)c(F)c1 ZINC000505501086 226355787 /nfs/dbraw/zinc/35/57/87/226355787.db2.gz NBWNOLOKLSTYCA-ZETCQYMHSA-N 0 0 220.646 3.606 20 0 BHADRN FCCCCOc1cc(Cl)ccc1F ZINC000505501352 226355914 /nfs/dbraw/zinc/35/59/14/226355914.db2.gz OEZRVMMLKJHSNT-UHFFFAOYSA-N 0 0 220.646 3.608 20 0 BHADRN C[C@@H](F)CCOc1cc(Cl)ccc1F ZINC000505502408 226355925 /nfs/dbraw/zinc/35/59/25/226355925.db2.gz XEQSUZCJPOMQBL-SSDOTTSWSA-N 0 0 220.646 3.606 20 0 BHADRN C[C@H](F)CCOc1cc(Cl)ccc1F ZINC000505502409 226355983 /nfs/dbraw/zinc/35/59/83/226355983.db2.gz XEQSUZCJPOMQBL-ZETCQYMHSA-N 0 0 220.646 3.606 20 0 BHADRN CCOC1CC(CSc2ccccc2C)C1 ZINC000505506305 528503813 /nfs/dbraw/zinc/50/38/13/528503813.db2.gz LCQVTIUVYABSMN-UHFFFAOYSA-N 0 0 236.380 3.902 20 0 BHADRN CCCc1ccc(OCC2CC(OCC)C2)cc1 ZINC000505506327 528624052 /nfs/dbraw/zinc/62/40/52/528624052.db2.gz LILXXUKIXDCMTM-UHFFFAOYSA-N 0 0 248.366 3.833 20 0 BHADRN CCCC(CCC)SCc1cn[nH]c1 ZINC000505506528 528001337 /nfs/dbraw/zinc/00/13/37/528001337.db2.gz MPIYUJSXXUOIOG-UHFFFAOYSA-N 0 0 212.362 3.612 20 0 BHADRN CCCc1ccc(OCCCCF)cc1 ZINC000505506968 528623966 /nfs/dbraw/zinc/62/39/66/528623966.db2.gz PBYIFNDBYUOAIS-UHFFFAOYSA-N 0 0 210.292 3.768 20 0 BHADRN CCn1cc(CCSc2ccccc2C)cn1 ZINC000505507217 226356154 /nfs/dbraw/zinc/35/61/54/226356154.db2.gz QIDYGHDDXSSTCJ-UHFFFAOYSA-N 0 0 246.379 3.546 20 0 BHADRN CC(C)(O)CSCc1cccc2ccccc21 ZINC000505507244 527353781 /nfs/dbraw/zinc/35/37/81/527353781.db2.gz QOKFNMNELDPHIP-UHFFFAOYSA-N 0 0 246.375 3.844 20 0 BHADRN CCCC(CCC)SCc1cnc(C)nc1 ZINC000505507803 528001521 /nfs/dbraw/zinc/00/15/21/528001521.db2.gz SZZKQJCYJVRNRI-UHFFFAOYSA-N 0 0 238.400 3.987 20 0 BHADRN Cc1ccc2c(cccc2OCCCCF)n1 ZINC000505511182 226356013 /nfs/dbraw/zinc/35/60/13/226356013.db2.gz ATFGKPWXRUCOJI-UHFFFAOYSA-N 0 0 233.286 3.672 20 0 BHADRN COCCCCSCC1CCCCC1 ZINC000505511331 226356207 /nfs/dbraw/zinc/35/62/07/226356207.db2.gz CIIATWUXPQTJDX-UHFFFAOYSA-N 0 0 216.390 3.727 20 0 BHADRN Cc1ccc2c(cccc2OCC[C@H](C)F)n1 ZINC000505511511 226356056 /nfs/dbraw/zinc/35/60/56/226356056.db2.gz FGGRTXDEAQXBOH-JTQLQIEISA-N 0 0 233.286 3.670 20 0 BHADRN Cc1ccc2c(cccc2OCC[C@@H](C)F)n1 ZINC000505511512 226356175 /nfs/dbraw/zinc/35/61/75/226356175.db2.gz FGGRTXDEAQXBOH-SNVBAGLBSA-N 0 0 233.286 3.670 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Cc1ccc(F)cc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000513720809 388443331 /nfs/dbraw/zinc/44/33/31/388443331.db2.gz PGCABSSSVKGVBV-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000513720810 388443572 /nfs/dbraw/zinc/44/35/72/388443572.db2.gz PGCABSSSVKGVBV-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN CC1(C)CC[C@H](C(=O)NCCC2=CCCCC2)C1 ZINC000513723514 388444236 /nfs/dbraw/zinc/44/42/36/388444236.db2.gz FCASWZHHYLHFRJ-AWEZNQCLSA-N 0 0 249.398 3.819 20 0 BHADRN CC1(C)CC[C@@H](C(=O)NCCC2=CCCCC2)C1 ZINC000513723515 529015706 /nfs/dbraw/zinc/01/57/06/529015706.db2.gz FCASWZHHYLHFRJ-CQSZACIVSA-N 0 0 249.398 3.819 20 0 BHADRN CC1(C)CC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000513729800 388443984 /nfs/dbraw/zinc/44/39/84/388443984.db2.gz GSQVGCUPNXUHQO-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000513729801 529034826 /nfs/dbraw/zinc/03/48/26/529034826.db2.gz GSQVGCUPNXUHQO-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000513729812 229435679 /nfs/dbraw/zinc/43/56/79/229435679.db2.gz GWXUKLPJTCSOLS-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000513729813 388443980 /nfs/dbraw/zinc/44/39/80/388443980.db2.gz GWXUKLPJTCSOLS-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN CCCC1(CNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC000513730726 528057899 /nfs/dbraw/zinc/05/78/99/528057899.db2.gz NJAWBFZBAIVXGW-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC1(CNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000513730727 388444172 /nfs/dbraw/zinc/44/41/72/388444172.db2.gz NJAWBFZBAIVXGW-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC1(CNC(=O)[C@H](C)CC(C)(C)C)CC1 ZINC000513730968 528057797 /nfs/dbraw/zinc/05/77/97/528057797.db2.gz QDXWMEDQGLYYDS-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC1(CNC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC000513730969 388444051 /nfs/dbraw/zinc/44/40/51/388444051.db2.gz QDXWMEDQGLYYDS-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000513734488 528103829 /nfs/dbraw/zinc/10/38/29/528103829.db2.gz AGTBXLMMKZBTFB-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000513734489 528922006 /nfs/dbraw/zinc/92/20/06/528922006.db2.gz AGTBXLMMKZBTFB-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000513734490 388445203 /nfs/dbraw/zinc/44/52/03/388445203.db2.gz AGTBXLMMKZBTFB-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000513734491 528920862 /nfs/dbraw/zinc/92/08/62/528920862.db2.gz AGTBXLMMKZBTFB-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000513734832 229437954 /nfs/dbraw/zinc/43/79/54/229437954.db2.gz GCFGKDOJQBYKTP-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000513734833 388445108 /nfs/dbraw/zinc/44/51/08/388445108.db2.gz GCFGKDOJQBYKTP-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc2oc(=N[C@H](C)C3CCCC3)[nH]c2c1 ZINC000513736125 534528321 /nfs/dbraw/zinc/52/83/21/534528321.db2.gz WTVDCDADYTWEPQ-LLVKDONJSA-N 0 0 244.338 3.549 20 0 BHADRN Cc1ccc2oc(N3CCCCC[C@H]3C)nc2c1 ZINC000513740576 388446459 /nfs/dbraw/zinc/44/64/59/388446459.db2.gz WSYUPSBGYGUQQI-GFCCVEGCSA-N 0 0 244.338 3.905 20 0 BHADRN Cc1ccc2oc(N3CCCCC[C@@H]3C)nc2c1 ZINC000513740577 388446132 /nfs/dbraw/zinc/44/61/32/388446132.db2.gz WSYUPSBGYGUQQI-LBPRGKRZSA-N 0 0 244.338 3.905 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000513743720 388445940 /nfs/dbraw/zinc/44/59/40/388445940.db2.gz AWOPQKWGPZGWAX-AVGNSLFASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000513743721 529018811 /nfs/dbraw/zinc/01/88/11/529018811.db2.gz AWOPQKWGPZGWAX-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)CN(C)c1nc2cc(C)ccc2o1 ZINC000513744170 529651953 /nfs/dbraw/zinc/65/19/53/529651953.db2.gz HUEJXSCTOPTQKP-JTQLQIEISA-N 0 0 232.327 3.619 20 0 BHADRN CC[C@@H](C)CN(C)c1nc2cc(C)ccc2o1 ZINC000513744171 529315335 /nfs/dbraw/zinc/31/53/35/529315335.db2.gz HUEJXSCTOPTQKP-SNVBAGLBSA-N 0 0 232.327 3.619 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000513744398 229441203 /nfs/dbraw/zinc/44/12/03/229441203.db2.gz KFLDLPZKYWSQFX-GFCCVEGCSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000513744399 388446778 /nfs/dbraw/zinc/44/67/78/388446778.db2.gz KFLDLPZKYWSQFX-LBPRGKRZSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1ccc2oc(=N[C@H]3CC[C@H](C)CC3)[nH]c2c1 ZINC000513744886 388446939 /nfs/dbraw/zinc/44/69/39/388446939.db2.gz RBASKYSZPQNYLL-UMSPYCQHSA-N 0 0 244.338 3.549 20 0 BHADRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000513744945 229440712 /nfs/dbraw/zinc/44/07/12/229440712.db2.gz RZSUJJGPSALZQP-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000513744946 388447106 /nfs/dbraw/zinc/44/71/06/388447106.db2.gz RZSUJJGPSALZQP-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000513744947 388447170 /nfs/dbraw/zinc/44/71/70/388447170.db2.gz RZSUJJGPSALZQP-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000513744948 229440964 /nfs/dbraw/zinc/44/09/64/229440964.db2.gz RZSUJJGPSALZQP-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN Cc1ccc2oc(N3CCCC(C)(C)C3)nc2c1 ZINC000513744974 388446823 /nfs/dbraw/zinc/44/68/23/388446823.db2.gz SFYVVFNFQBWDPN-UHFFFAOYSA-N 0 0 244.338 3.763 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000513748700 388447159 /nfs/dbraw/zinc/44/71/59/388447159.db2.gz JCUQCKVICKWNFV-GFCCVEGCSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000513748701 388447150 /nfs/dbraw/zinc/44/71/50/388447150.db2.gz JCUQCKVICKWNFV-LBPRGKRZSA-N 0 0 231.339 3.760 20 0 BHADRN Cc1ccc2oc(=NCC3(C)CCCC3)[nH]c2c1 ZINC000513749782 388447212 /nfs/dbraw/zinc/44/72/12/388447212.db2.gz WQKZMDFNMVSQDC-UHFFFAOYSA-N 0 0 244.338 3.550 20 0 BHADRN CCN(Cc1cc(C)no1)c1cccc(C)c1C ZINC000513758833 388447634 /nfs/dbraw/zinc/44/76/34/388447634.db2.gz BZFAVWIMPVSHHD-UHFFFAOYSA-N 0 0 244.338 3.626 20 0 BHADRN CCN(CCOC(C)C)c1cccc(Cl)c1 ZINC000513760493 388447982 /nfs/dbraw/zinc/44/79/82/388447982.db2.gz JRUULEBEKHGUEE-UHFFFAOYSA-N 0 0 241.762 3.591 20 0 BHADRN CCNc1ccc2sc(C(=O)OCC)cc2c1 ZINC000513790500 388450068 /nfs/dbraw/zinc/45/00/68/388450068.db2.gz YWKIIIMXGSZFQP-UHFFFAOYSA-N 0 0 249.335 3.510 20 0 BHADRN CC(C)OC(=O)C[C@@H](C)C1CCCCC1 ZINC000513803657 388450613 /nfs/dbraw/zinc/45/06/13/388450613.db2.gz KDVNEKHNEMLILV-LLVKDONJSA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)OC(=O)C[C@H](C)C1CCCCC1 ZINC000513803658 388450698 /nfs/dbraw/zinc/45/06/98/388450698.db2.gz KDVNEKHNEMLILV-NSHDSACASA-N 0 0 212.333 3.545 20 0 BHADRN COCCCCCSC1CCCCC1 ZINC000513824599 388452549 /nfs/dbraw/zinc/45/25/49/388452549.db2.gz NQEZKSGRJXHSJO-UHFFFAOYSA-N 0 0 216.390 3.869 20 0 BHADRN CCc1noc(CCC(C)(C)c2ccccc2)n1 ZINC000513825599 388452205 /nfs/dbraw/zinc/45/22/05/388452205.db2.gz FXHOVOAMBGVARG-UHFFFAOYSA-N 0 0 244.338 3.542 20 0 BHADRN COCCCCCOc1c(C)cccc1Cl ZINC000513825845 533234432 /nfs/dbraw/zinc/23/44/32/533234432.db2.gz KLASEJHEQNLZOJ-UHFFFAOYSA-N 0 0 242.746 3.844 20 0 BHADRN COCCCCCOc1cc(C)cc(C)c1C ZINC000513826200 388452378 /nfs/dbraw/zinc/45/23/78/388452378.db2.gz QTMNAXJZEKOYCC-UHFFFAOYSA-N 0 0 236.355 3.807 20 0 BHADRN COCCCCCOc1cc(Cl)ccc1F ZINC000513826207 388452254 /nfs/dbraw/zinc/45/22/54/388452254.db2.gz QWZHTEOYMXXXNA-UHFFFAOYSA-N 0 0 246.709 3.675 20 0 BHADRN COCCCCCOc1ccc(C)cc1Cl ZINC000513827086 388452240 /nfs/dbraw/zinc/45/22/40/388452240.db2.gz IQDGQAWOKOTAAP-UHFFFAOYSA-N 0 0 242.746 3.844 20 0 BHADRN COCCCCCOc1c(C)ccc(C)c1C ZINC000513828157 388452409 /nfs/dbraw/zinc/45/24/09/388452409.db2.gz DPFIICRVCUMFFR-UHFFFAOYSA-N 0 0 236.355 3.807 20 0 BHADRN COCCCCCOc1cc(Cl)ccc1C ZINC000513829492 388452463 /nfs/dbraw/zinc/45/24/63/388452463.db2.gz DGZSSBHZBGXUPU-UHFFFAOYSA-N 0 0 242.746 3.844 20 0 BHADRN Cn1c2ccc(Cl)cc2nc1-c1ccsc1 ZINC000513855376 388454813 /nfs/dbraw/zinc/45/48/13/388454813.db2.gz DSZYNZJVCIOPJI-UHFFFAOYSA-N 0 0 248.738 3.955 20 0 BHADRN CCc1ccc(-c2nc3ccccc3n2C)cc1 ZINC000513855763 529577668 /nfs/dbraw/zinc/57/76/68/529577668.db2.gz KJJSBQSYHLUTBE-UHFFFAOYSA-N 0 0 236.318 3.803 20 0 BHADRN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1 ZINC000513857974 388455172 /nfs/dbraw/zinc/45/51/72/388455172.db2.gz SRMOLCDONIWMNM-UHFFFAOYSA-N 0 0 240.281 3.688 20 0 BHADRN Cc1cccc(-c2nc3cc(F)ccc3n2C)c1 ZINC000513858011 388455394 /nfs/dbraw/zinc/45/53/94/388455394.db2.gz TWADZJZCERVSGW-UHFFFAOYSA-N 0 0 240.281 3.688 20 0 BHADRN Cc1cccc(-c2nc3cnccc3s2)c1 ZINC000513859126 388455067 /nfs/dbraw/zinc/45/50/67/388455067.db2.gz IDGYICNFTIECBN-UHFFFAOYSA-N 0 0 226.304 3.667 20 0 BHADRN Cc1ccc(-c2nc3ccccc3n2C)cc1C ZINC000513859301 388455217 /nfs/dbraw/zinc/45/52/17/388455217.db2.gz KDLVRDDRMGHNDZ-UHFFFAOYSA-N 0 0 236.318 3.857 20 0 BHADRN Cn1c2ccccc2nc1-c1cc2ccccc2o1 ZINC000513860228 388455059 /nfs/dbraw/zinc/45/50/59/388455059.db2.gz VIVOWZRGBYVZCU-UHFFFAOYSA-N 0 0 248.285 3.987 20 0 BHADRN CCc1ccc(-c2nc3cnccc3s2)cc1 ZINC000513860399 388455242 /nfs/dbraw/zinc/45/52/42/388455242.db2.gz XNQPNVYDQUYHIV-UHFFFAOYSA-N 0 0 240.331 3.921 20 0 BHADRN Cc1ccc(-c2nc3c(cccc3F)n2C)cc1 ZINC000513863262 388455306 /nfs/dbraw/zinc/45/53/06/388455306.db2.gz GBUZMAKSLHNMEX-UHFFFAOYSA-N 0 0 240.281 3.688 20 0 BHADRN Cc1cccc(-c2nc3c(cccc3F)n2C)c1 ZINC000513863439 388455780 /nfs/dbraw/zinc/45/57/80/388455780.db2.gz IIAZBIAZUYVWCZ-UHFFFAOYSA-N 0 0 240.281 3.688 20 0 BHADRN Cn1c(-c2ccccc2)nc2cccc(Cl)c21 ZINC000513867204 229450589 /nfs/dbraw/zinc/45/05/89/229450589.db2.gz CLGGKAVXBHBHGI-UHFFFAOYSA-N 0 0 242.709 3.894 20 0 BHADRN Cn1c(-c2cccs2)nc2cccc(Cl)c21 ZINC000513867673 229450099 /nfs/dbraw/zinc/45/00/99/229450099.db2.gz JZIJPRZEEVEWTI-UHFFFAOYSA-N 0 0 248.738 3.955 20 0 BHADRN Cc1ccc(-c2nc3cnccc3s2)cc1C ZINC000513868228 229449788 /nfs/dbraw/zinc/44/97/88/229449788.db2.gz SGYNVNMJNSZRRX-UHFFFAOYSA-N 0 0 240.331 3.975 20 0 BHADRN Cn1c(-c2ccsc2)nc2cccc(Cl)c21 ZINC000513868454 229450394 /nfs/dbraw/zinc/45/03/94/229450394.db2.gz WKSPCGYZUBMCLV-UHFFFAOYSA-N 0 0 248.738 3.955 20 0 BHADRN CCn1c2ccccc2nc1-c1cccc(F)c1 ZINC000513869536 398086932 /nfs/dbraw/zinc/08/69/32/398086932.db2.gz MHYSKMCAANCUQA-UHFFFAOYSA-N 0 0 240.281 3.862 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)CCC(C)C ZINC000513896830 529240924 /nfs/dbraw/zinc/24/09/24/529240924.db2.gz GDXTVSKHJSTHNG-AVGNSLFASA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)CCC(C)C ZINC000513896831 388462976 /nfs/dbraw/zinc/46/29/76/388462976.db2.gz GDXTVSKHJSTHNG-RWMBFGLXSA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)CCC(C)C ZINC000513896832 529241315 /nfs/dbraw/zinc/24/13/15/529241315.db2.gz GDXTVSKHJSTHNG-XQQFMLRXSA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)N[C@H](C)CCC(C)C ZINC000513896833 388463416 /nfs/dbraw/zinc/46/34/16/388463416.db2.gz 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CC(C)C[C@@H](C)c1nc([C@H](C)C2CC2)no1 ZINC000515708580 387418673 /nfs/dbraw/zinc/41/86/73/387418673.db2.gz SFESJVQUCSCSIJ-NXEZZACHSA-N 0 0 222.332 3.733 20 0 BHADRN CC(C)C[C@H](C)c1nc([C@@H](C)C2CC2)no1 ZINC000515708581 256753855 /nfs/dbraw/zinc/75/38/55/256753855.db2.gz SFESJVQUCSCSIJ-UWVGGRQHSA-N 0 0 222.332 3.733 20 0 BHADRN CC(C)C[C@H](C)c1nc([C@H](C)C2CC2)no1 ZINC000515708582 387417819 /nfs/dbraw/zinc/41/78/19/387417819.db2.gz SFESJVQUCSCSIJ-VHSXEESVSA-N 0 0 222.332 3.733 20 0 BHADRN CC(C)C[C@@H](C)c1nc([C@@H](C)C2CC2)no1 ZINC000515708583 387418152 /nfs/dbraw/zinc/41/81/52/387418152.db2.gz SFESJVQUCSCSIJ-ZJUUUORDSA-N 0 0 222.332 3.733 20 0 BHADRN CCCOc1ccc(OCCSCC)cc1 ZINC000515720025 256755286 /nfs/dbraw/zinc/75/52/86/256755286.db2.gz QEUMPQCOACFJKR-UHFFFAOYSA-N 0 0 240.368 3.607 20 0 BHADRN CCCSCCCOc1ccccc1 ZINC000515721525 387419377 /nfs/dbraw/zinc/41/93/77/387419377.db2.gz VYBLPGCYRBQLDS-UHFFFAOYSA-N 0 0 210.342 3.599 20 0 BHADRN CCCSCc1cc(Cl)ccc1OC ZINC000515722779 387419558 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CCCC[C@@H](C)c1nc(-c2ccoc2C)no1 ZINC000517576129 388554141 /nfs/dbraw/zinc/55/41/41/388554141.db2.gz QSJFHIKZGUBLNF-SECBINFHSA-N 0 0 234.299 3.932 20 0 BHADRN CCCC[C@H](C)c1nc(-c2ccoc2C)no1 ZINC000517576130 256828256 /nfs/dbraw/zinc/82/82/56/256828256.db2.gz QSJFHIKZGUBLNF-VIFPVBQESA-N 0 0 234.299 3.932 20 0 BHADRN C[C@@H](c1noc(C(C)(C)C(C)(C)C)n1)C1CC1 ZINC000517596189 388555458 /nfs/dbraw/zinc/55/54/58/388555458.db2.gz MJTUXPDVAWDQMQ-SECBINFHSA-N 0 0 236.359 3.907 20 0 BHADRN C[C@H](c1noc(C(C)(C)C(C)(C)C)n1)C1CC1 ZINC000517596190 388555446 /nfs/dbraw/zinc/55/54/46/388555446.db2.gz MJTUXPDVAWDQMQ-VIFPVBQESA-N 0 0 236.359 3.907 20 0 BHADRN CC(C)CC[C@H]1CCCN1c1ccc(F)cn1 ZINC000517602651 388555451 /nfs/dbraw/zinc/55/54/51/388555451.db2.gz LNTGLEHGKGOGCD-CYBMUJFWSA-N 0 0 236.334 3.626 20 0 BHADRN CC(C)CC[C@@H]1CCCN1c1ccc(F)cn1 ZINC000517602661 256829469 /nfs/dbraw/zinc/82/94/69/256829469.db2.gz LNTGLEHGKGOGCD-ZDUSSCGKSA-N 0 0 236.334 3.626 20 0 BHADRN CC[C@H](Cc1nc(-c2ccccc2)no1)C(C)C 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/nfs/dbraw/zinc/55/55/20/388555520.db2.gz UYVLLDRUJOPOFK-IAROGAJJSA-N 0 0 246.697 3.979 20 0 BHADRN C/C=C/C=C/c1nc(-c2ccc(Cl)cc2)no1 ZINC000517611724 388555339 /nfs/dbraw/zinc/55/53/39/388555339.db2.gz UYVLLDRUJOPOFK-MQQKCMAXSA-N 0 0 246.697 3.979 20 0 BHADRN C/C(=C/c1nc(Cc2cccs2)no1)C1CC1 ZINC000517614600 388555495 /nfs/dbraw/zinc/55/54/95/388555495.db2.gz RAGIMWOSCUWEQS-CLFYSBASSA-N 0 0 246.335 3.535 20 0 BHADRN C/C(=C\c1nc(Cc2cccs2)no1)C1CC1 ZINC000517614601 256829287 /nfs/dbraw/zinc/82/92/87/256829287.db2.gz RAGIMWOSCUWEQS-VQHVLOKHSA-N 0 0 246.335 3.535 20 0 BHADRN C[C@@H](Cc1ccccc1)c1nc([C@@H]2C[C@@H]2C)no1 ZINC000517624432 388555304 /nfs/dbraw/zinc/55/53/04/388555304.db2.gz XUKJHGZRVYUVRW-GMXVVIOVSA-N 0 0 242.322 3.539 20 0 BHADRN C[C@@H](Cc1ccccc1)c1nc([C@H]2C[C@@H]2C)no1 ZINC000517624434 388555544 /nfs/dbraw/zinc/55/55/44/388555544.db2.gz XUKJHGZRVYUVRW-GVXVVHGQSA-N 0 0 242.322 3.539 20 0 BHADRN C[C@@H](Cc1ccccc1)c1nc([C@H]2C[C@H]2C)no1 ZINC000517624436 388556028 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249.398 3.509 20 0 BHADRN C[C@@H]1CCC[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC000517746168 259302557 /nfs/dbraw/zinc/30/25/57/259302557.db2.gz UZVPPIMHTJHRBA-OLZOCXBDSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H]1CCC[C@@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC000517746169 259302525 /nfs/dbraw/zinc/30/25/25/259302525.db2.gz UZVPPIMHTJHRBA-QWHCGFSZSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H]1CCC[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC000517746170 259302519 /nfs/dbraw/zinc/30/25/19/259302519.db2.gz UZVPPIMHTJHRBA-STQMWFEESA-N 0 0 249.398 3.509 20 0 BHADRN c1cnn(Cc2ccc(C3CCCC3)cc2)c1 ZINC000517752872 385129592 /nfs/dbraw/zinc/12/95/92/385129592.db2.gz LERKXAKZKSZVNI-UHFFFAOYSA-N 0 0 226.323 3.589 20 0 BHADRN CC(C)CNC(=O)N(C)c1cccc(C(C)C)c1 ZINC000517758480 384951192 /nfs/dbraw/zinc/95/11/92/384951192.db2.gz RGQDLVSPQWFNDS-UHFFFAOYSA-N 0 0 248.370 3.612 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)N[C@H]2CCC2(C)C)C1 ZINC000517768069 384503840 /nfs/dbraw/zinc/50/38/40/384503840.db2.gz FZVOXQPECPEGLD-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CCC2(C)C)C1 ZINC000517768070 384503915 /nfs/dbraw/zinc/50/39/15/384503915.db2.gz FZVOXQPECPEGLD-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CCC2(C)C)C1 ZINC000517768071 384504369 /nfs/dbraw/zinc/50/43/69/384504369.db2.gz FZVOXQPECPEGLD-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)N[C@H]2CCC2(C)C)C1 ZINC000517768072 256551979 /nfs/dbraw/zinc/55/19/79/256551979.db2.gz FZVOXQPECPEGLD-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3CC=CC[C@H]3C)n2)o1 ZINC000517781662 582964241 /nfs/dbraw/zinc/96/42/41/582964241.db2.gz ZKMMZLZVYQYNKH-MWLCHTKSSA-N 0 0 244.294 3.708 20 0 BHADRN CC[C@H](CC(=O)N(C)c1ccccc1)C(C)C ZINC000517797664 384513413 /nfs/dbraw/zinc/51/34/13/384513413.db2.gz DPUIVNBFHMVQKO-CYBMUJFWSA-N 0 0 233.355 3.722 20 0 BHADRN CC[C@@H](CC(=O)N(C)c1ccccc1)C(C)C ZINC000517797665 384513581 /nfs/dbraw/zinc/51/35/81/384513581.db2.gz DPUIVNBFHMVQKO-ZDUSSCGKSA-N 0 0 233.355 3.722 20 0 BHADRN CC[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000517810100 384517732 /nfs/dbraw/zinc/51/77/32/384517732.db2.gz IWALMZRJHGWYQJ-BFHYXJOUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](CC(=O)N[C@H]1CCCC[C@H]1C)C(C)C ZINC000517810101 256552057 /nfs/dbraw/zinc/55/20/57/256552057.db2.gz IWALMZRJHGWYQJ-MCIONIFRSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](CC(=O)N[C@@H]1CCCC[C@H]1C)C(C)C ZINC000517810102 384518761 /nfs/dbraw/zinc/51/87/61/384518761.db2.gz IWALMZRJHGWYQJ-MGPQQGTHSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](CC(=O)N[C@H]1CCCC[C@@H]1C)C(C)C ZINC000517810103 384517844 /nfs/dbraw/zinc/51/78/44/384517844.db2.gz IWALMZRJHGWYQJ-MJBXVCDLSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H](CC(=O)NCc1cccc(C)c1)C(C)C ZINC000517812736 256552056 /nfs/dbraw/zinc/55/20/56/256552056.db2.gz XFSQGAXWLCBGAL-HNNXBMFYSA-N 0 0 247.382 3.684 20 0 BHADRN CC[C@H](CC(=O)NCc1cccc(C)c1)C(C)C ZINC000517812737 384515892 /nfs/dbraw/zinc/51/58/92/384515892.db2.gz XFSQGAXWLCBGAL-OAHLLOKOSA-N 0 0 247.382 3.684 20 0 BHADRN CC[C@@H](CC(=O)NCCC1CCCC1)C(C)C ZINC000517824188 384518793 /nfs/dbraw/zinc/51/87/93/384518793.db2.gz PFNYRDAYWLTZIH-AWEZNQCLSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H](CC(=O)NCCC1CCCC1)C(C)C ZINC000517824190 384517026 /nfs/dbraw/zinc/51/70/26/384517026.db2.gz PFNYRDAYWLTZIH-CQSZACIVSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCCC(=O)N[C@H]1CCc2c1cccc2C ZINC000517829750 384522613 /nfs/dbraw/zinc/52/26/13/384522613.db2.gz NCOCRGWKSKUXJN-HNNXBMFYSA-N 0 0 245.366 3.679 20 0 BHADRN CCCCCC(=O)N[C@@H]1CCc2c1cccc2C ZINC000517829752 384524007 /nfs/dbraw/zinc/52/40/07/384524007.db2.gz NCOCRGWKSKUXJN-OAHLLOKOSA-N 0 0 245.366 3.679 20 0 BHADRN CCC(CC)C(=O)NCCCCC(C)(C)C ZINC000517838472 384526098 /nfs/dbraw/zinc/52/60/98/384526098.db2.gz KFOAFUVPTSPKJQ-UHFFFAOYSA-N 0 0 227.392 3.755 20 0 BHADRN CC(C)CCC(=O)NCCCCC(C)(C)C ZINC000517841736 256553133 /nfs/dbraw/zinc/55/31/33/256553133.db2.gz SITJWLVTQHSHMK-UHFFFAOYSA-N 0 0 227.392 3.755 20 0 BHADRN CCC(CC)CNC(=O)C[C@H]1CCCC[C@@H]1C ZINC000517873795 384541747 /nfs/dbraw/zinc/54/17/47/384541747.db2.gz HZNFYKVXENRPQV-GXTWGEPZSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(CC)CNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000517873796 384543932 /nfs/dbraw/zinc/54/39/32/384543932.db2.gz HZNFYKVXENRPQV-JSGCOSHPSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(CC)CNC(=O)C[C@@H]1CCCC[C@H]1C ZINC000517873924 384542591 /nfs/dbraw/zinc/54/25/91/384542591.db2.gz HZNFYKVXENRPQV-OCCSQVGLSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(CC)CNC(=O)C[C@H]1CCCC[C@H]1C ZINC000517873926 256552858 /nfs/dbraw/zinc/55/28/58/256552858.db2.gz HZNFYKVXENRPQV-TZMCWYRMSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H](CC(=O)N(CC(C)C)C1CC1)C(C)C ZINC000517927648 256553763 /nfs/dbraw/zinc/55/37/63/256553763.db2.gz XGJBDTFWFOFNGC-CYBMUJFWSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H](CC(=O)N(CC(C)C)C1CC1)C(C)C ZINC000517927649 256554210 /nfs/dbraw/zinc/55/42/10/256554210.db2.gz XGJBDTFWFOFNGC-ZDUSSCGKSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@@H](CC(=O)N(CC(C)C)C(C)C)C(C)C ZINC000517928052 322958691 /nfs/dbraw/zinc/95/86/91/322958691.db2.gz GKHQAFFRTDLMJA-AWEZNQCLSA-N 0 0 241.419 3.952 20 0 BHADRN CC[C@H](CC(=O)N(CC(C)C)C(C)C)C(C)C ZINC000517928053 384578208 /nfs/dbraw/zinc/57/82/08/384578208.db2.gz GKHQAFFRTDLMJA-CQSZACIVSA-N 0 0 241.419 3.952 20 0 BHADRN CC[C@H](NC(=O)c1cc(C)ccc1C)C(C)(C)C ZINC000517933412 384581312 /nfs/dbraw/zinc/58/13/12/384581312.db2.gz DVHJPBDRXZSKBR-AWEZNQCLSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](NC(=O)c1cc(C)ccc1C)C(C)(C)C ZINC000517933413 384582730 /nfs/dbraw/zinc/58/27/30/384582730.db2.gz DVHJPBDRXZSKBR-CQSZACIVSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](NC(=O)NCCC(C)(C)C)C(C)(C)C ZINC000517937763 384585880 /nfs/dbraw/zinc/58/58/80/384585880.db2.gz DBVFPDAZTQUZAR-LLVKDONJSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@H](NC(=O)NCCC(C)(C)C)C(C)(C)C ZINC000517937764 256554777 /nfs/dbraw/zinc/55/47/77/256554777.db2.gz DBVFPDAZTQUZAR-NSHDSACASA-N 0 0 242.407 3.547 20 0 BHADRN CC1=C(C)C[C@@H](C(=O)N(C)C2(C)CCCC2)CC1 ZINC000517941499 256556107 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/nfs/dbraw/zinc/97/16/78/384971678.db2.gz RNOQKALTKLDDPI-NSHDSACASA-N 0 0 228.307 3.542 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)CCC1CCCCC1 ZINC000521083078 388562152 /nfs/dbraw/zinc/56/21/52/388562152.db2.gz RPWBGDFSOSYEFO-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@H](C)CN(C)C(=O)CCC1CCCCC1 ZINC000521083079 388562629 /nfs/dbraw/zinc/56/26/29/388562629.db2.gz RPWBGDFSOSYEFO-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN Cc1ccc2c(c1)N(C(=O)CC(C)(C)C)CCC2 ZINC000521083934 256835338 /nfs/dbraw/zinc/83/53/38/256835338.db2.gz DAJGVWNSMKWQAF-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN CC[C@H](C)CN(C)C(=O)C[C@H]1CCCC[C@H]1C ZINC000521084131 256835262 /nfs/dbraw/zinc/83/52/62/256835262.db2.gz PZXZSHXPKDNREN-BFHYXJOUSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)CN(C)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000521084132 388562459 /nfs/dbraw/zinc/56/24/59/388562459.db2.gz PZXZSHXPKDNREN-IHRRRGAJSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)CN(C)C(=O)C[C@H]1CCCC[C@@H]1C ZINC000521084133 256835429 /nfs/dbraw/zinc/83/54/29/256835429.db2.gz PZXZSHXPKDNREN-MELADBBJSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)CN(C)C(=O)C[C@@H]1CCCC[C@H]1C ZINC000521084134 388562444 /nfs/dbraw/zinc/56/24/44/388562444.db2.gz PZXZSHXPKDNREN-MJBXVCDLSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@H](CC)C(=O)N1CCC[C@H](C)CC1 ZINC000521097302 388561840 /nfs/dbraw/zinc/56/18/40/388561840.db2.gz NHCAYUPSYYSEDI-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@H](CC)C(=O)N1CCC[C@@H](C)CC1 ZINC000521097311 388562141 /nfs/dbraw/zinc/56/21/41/388562141.db2.gz NHCAYUPSYYSEDI-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1CCC[C@H](C)CC1 ZINC000521097312 388561898 /nfs/dbraw/zinc/56/18/98/388561898.db2.gz NHCAYUPSYYSEDI-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1CCC[C@@H](C)CC1 ZINC000521097313 256835122 /nfs/dbraw/zinc/83/51/22/256835122.db2.gz NHCAYUPSYYSEDI-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN FC(F)(F)CSCCCc1ccccc1 ZINC000521101006 388562598 /nfs/dbraw/zinc/56/25/98/388562598.db2.gz SVGPNJGQMJZYQZ-UHFFFAOYSA-N 0 0 234.286 3.915 20 0 BHADRN CC(C)=CCn1ccc(-c2cccs2)n1 ZINC000521102635 388562462 /nfs/dbraw/zinc/56/24/62/388562462.db2.gz CENALQHGZKXJPT-UHFFFAOYSA-N 0 0 218.325 3.578 20 0 BHADRN CCC1CCN(c2ccc3ccccc3n2)CC1 ZINC000521118754 256835486 /nfs/dbraw/zinc/83/54/86/256835486.db2.gz LXVAJSGGUZUBNC-UHFFFAOYSA-N 0 0 240.350 3.861 20 0 BHADRN CCCN(CC(C)C)C(=O)Nc1ccc(C)cc1 ZINC000521150056 256836416 /nfs/dbraw/zinc/83/64/16/256836416.db2.gz DYDILCRCWWNTQF-UHFFFAOYSA-N 0 0 248.370 3.895 20 0 BHADRN CCCSCc1ccccc1OC(F)F ZINC000521163297 388563586 /nfs/dbraw/zinc/56/35/86/388563586.db2.gz XJEPHCXARVJQHY-UHFFFAOYSA-N 0 0 232.295 3.931 20 0 BHADRN CC(C)CCc1ccccc1NC(=O)NC(C)C ZINC000521216651 388564592 /nfs/dbraw/zinc/56/45/92/388564592.db2.gz LGDAURNMOSXYPK-UHFFFAOYSA-N 0 0 248.370 3.805 20 0 BHADRN CC(C)CCc1ccccc1NC(=O)NC1CC1 ZINC000521220032 256837703 /nfs/dbraw/zinc/83/77/03/256837703.db2.gz NEZUWYPDIHOXFZ-UHFFFAOYSA-N 0 0 246.354 3.559 20 0 BHADRN CC(C)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000521221579 388565201 /nfs/dbraw/zinc/56/52/01/388565201.db2.gz MCAINGMKSZPJEV-UHFFFAOYSA-N 0 0 249.251 3.598 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)N(CC)CCC ZINC000521224018 388564940 /nfs/dbraw/zinc/56/49/40/388564940.db2.gz WERDYLFVXZDKQW-CYBMUJFWSA-N 0 0 242.407 3.644 20 0 BHADRN CCCC[C@H](CC)CNC(=O)N(CC)CCC ZINC000521224019 388564735 /nfs/dbraw/zinc/56/47/35/388564735.db2.gz WERDYLFVXZDKQW-ZDUSSCGKSA-N 0 0 242.407 3.644 20 0 BHADRN CCCC(C)(C)NC(=O)C[C@@H](CC)C(C)C ZINC000521235674 256837662 /nfs/dbraw/zinc/83/76/62/256837662.db2.gz VLSWYRPQLPIKLU-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCCC(C)(C)NC(=O)C[C@H](CC)C(C)C ZINC000521235675 388565685 /nfs/dbraw/zinc/56/56/85/388565685.db2.gz VLSWYRPQLPIKLU-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CSc1ccc(C)c(NCc2coc(C)n2)c1 ZINC000521271795 256838847 /nfs/dbraw/zinc/83/88/47/256838847.db2.gz MGGNDUYOCBWLJZ-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN c1sc(CC2CCCC2)nc1-c1ccccn1 ZINC000521274692 256838325 /nfs/dbraw/zinc/83/83/25/256838325.db2.gz VVFYMMYMQRDASK-UHFFFAOYSA-N 0 0 244.363 3.938 20 0 BHADRN Cc1cccc(C(=O)NCC2(C)CCCC2)c1C ZINC000521275239 256838100 /nfs/dbraw/zinc/83/81/00/256838100.db2.gz XULAWQFFQVWSNR-UHFFFAOYSA-N 0 0 245.366 3.614 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)C(C)(F)F)cc1C ZINC000521275940 388568021 /nfs/dbraw/zinc/56/80/21/388568021.db2.gz PZPIEODBWONLMZ-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)C(C)(F)F)cc1C ZINC000521275944 388568437 /nfs/dbraw/zinc/56/84/37/388568437.db2.gz PZPIEODBWONLMZ-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN Clc1ccc(SCCOCC2CC2)cc1 ZINC000521318815 256513427 /nfs/dbraw/zinc/51/34/27/256513427.db2.gz QNPPCAKMAORGGM-UHFFFAOYSA-N 0 0 242.771 3.859 20 0 BHADRN C[C@@H](N(C)C(=O)CC1CCCCC1)C(C)(C)C ZINC000521339538 259305387 /nfs/dbraw/zinc/30/53/87/259305387.db2.gz OMBCXEWNVUPJHU-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H](N(C)C(=O)CC1CCCCC1)C(C)(C)C ZINC000521339539 259305944 /nfs/dbraw/zinc/30/59/44/259305944.db2.gz OMBCXEWNVUPJHU-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](N(C)c1ncnc2ccsc21)C(C)(C)C ZINC000521346870 384407719 /nfs/dbraw/zinc/40/77/19/384407719.db2.gz XSHGNQPQNLSQFR-SECBINFHSA-N 0 0 249.383 3.562 20 0 BHADRN C[C@H](N(C)c1ncnc2ccsc21)C(C)(C)C ZINC000521346880 384407578 /nfs/dbraw/zinc/40/75/78/384407578.db2.gz XSHGNQPQNLSQFR-VIFPVBQESA-N 0 0 249.383 3.562 20 0 BHADRN CCC[C@@H](C)C(=O)N1CCCc2ccc(C)cc21 ZINC000521365449 259306357 /nfs/dbraw/zinc/30/63/57/259306357.db2.gz SAZUTLBXGSSQQZ-CYBMUJFWSA-N 0 0 245.366 3.710 20 0 BHADRN CCC[C@H](C)C(=O)N1CCCc2ccc(C)cc21 ZINC000521365450 259306365 /nfs/dbraw/zinc/30/63/65/259306365.db2.gz SAZUTLBXGSSQQZ-ZDUSSCGKSA-N 0 0 245.366 3.710 20 0 BHADRN Cc1ccc(C)c(CSc2ncc(C)cn2)c1 ZINC000521383577 384436286 /nfs/dbraw/zinc/43/62/86/384436286.db2.gz IJPCKIUQDPLYDA-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN CCCCCSc1ccccc1OC ZINC000521386559 384439416 /nfs/dbraw/zinc/43/94/16/384439416.db2.gz LLSQOGACNPDXNZ-UHFFFAOYSA-N 0 0 210.342 3.978 20 0 BHADRN CCCCOCCSc1cccc(C)c1 ZINC000521387599 262713197 /nfs/dbraw/zinc/71/31/97/262713197.db2.gz DQRICMKWLLWLQY-UHFFFAOYSA-N 0 0 224.369 3.904 20 0 BHADRN CC(=O)CCCSc1c(F)cc(F)cc1F ZINC000521427528 259411460 /nfs/dbraw/zinc/41/14/60/259411460.db2.gz SLMFUZPZTJVXJM-UHFFFAOYSA-N 0 0 248.269 3.565 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000521438154 323097696 /nfs/dbraw/zinc/09/76/96/323097696.db2.gz SEPPGPCYFOMSTF-BPNCWPANSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000521438155 262746428 /nfs/dbraw/zinc/74/64/28/262746428.db2.gz SEPPGPCYFOMSTF-GDLCADMTSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000521438156 386166490 /nfs/dbraw/zinc/16/64/90/386166490.db2.gz SEPPGPCYFOMSTF-LEWSCRJBSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000521438157 386166213 /nfs/dbraw/zinc/16/62/13/386166213.db2.gz SEPPGPCYFOMSTF-ZLKJLUDKSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](CC(=O)Nc1ccccc1)C(C)C ZINC000521441655 350816889 /nfs/dbraw/zinc/81/68/89/350816889.db2.gz CSGJIKWWWXCZPW-GFCCVEGCSA-N 0 0 219.328 3.697 20 0 BHADRN CC[C@@H](CC(=O)Nc1ccccc1)C(C)C ZINC000521441656 350816661 /nfs/dbraw/zinc/81/66/61/350816661.db2.gz CSGJIKWWWXCZPW-LBPRGKRZSA-N 0 0 219.328 3.697 20 0 BHADRN CC[C@H](CC(=O)Nc1cccc(OC)c1)C(C)C ZINC000521458198 387747040 /nfs/dbraw/zinc/74/70/40/387747040.db2.gz PAHNFXNJLTXWNQ-GFCCVEGCSA-N 0 0 249.354 3.706 20 0 BHADRN CC[C@@H](CC(=O)Nc1cccc(OC)c1)C(C)C ZINC000521458199 387747077 /nfs/dbraw/zinc/74/70/77/387747077.db2.gz PAHNFXNJLTXWNQ-LBPRGKRZSA-N 0 0 249.354 3.706 20 0 BHADRN CC(C)n1ccnc1-c1csc(CC2CC2)n1 ZINC000521462148 387757228 /nfs/dbraw/zinc/75/72/28/387757228.db2.gz CQQULNQUUXLWCA-UHFFFAOYSA-N 0 0 247.367 3.540 20 0 BHADRN CC[C@H](CC(=O)N(CC)CC(C)C)C(C)C ZINC000521468537 387777060 /nfs/dbraw/zinc/77/70/60/387777060.db2.gz WGEGAEZRZQTZDK-CYBMUJFWSA-N 0 0 227.392 3.563 20 0 BHADRN CC[C@@H](CC(=O)N(CC)CC(C)C)C(C)C ZINC000521468541 387777972 /nfs/dbraw/zinc/77/79/72/387777972.db2.gz WGEGAEZRZQTZDK-ZDUSSCGKSA-N 0 0 227.392 3.563 20 0 BHADRN CCCCN(C(=O)C[C@@H](CC)C(C)C)C1CC1 ZINC000521477195 387807472 /nfs/dbraw/zinc/80/74/72/387807472.db2.gz WAOAOLYMJRBZFD-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCN(C(=O)C[C@H](CC)C(C)C)C1CC1 ZINC000521477196 387807838 /nfs/dbraw/zinc/80/78/38/387807838.db2.gz WAOAOLYMJRBZFD-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN CCCSCCCOc1ccccc1C ZINC000521483758 388610393 /nfs/dbraw/zinc/61/03/93/388610393.db2.gz AZGAEVCLFCXZNL-UHFFFAOYSA-N 0 0 224.369 3.907 20 0 BHADRN Cc1cc(C)cc(-c2nc3cnccc3s2)c1 ZINC000521484616 259372561 /nfs/dbraw/zinc/37/25/61/259372561.db2.gz NBFAQMASXIFDRD-UHFFFAOYSA-N 0 0 240.331 3.975 20 0 BHADRN CCC[C@@H](C)C(=O)NCCCCC(C)(C)C ZINC000521534263 324184317 /nfs/dbraw/zinc/18/43/17/324184317.db2.gz VNSLOSJGRITRDD-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCC[C@H](C)C(=O)NCCCCC(C)(C)C ZINC000521534264 324184440 /nfs/dbraw/zinc/18/44/40/324184440.db2.gz VNSLOSJGRITRDD-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN CCCc1ccc(C(=O)N[C@@H](CC)CCC)cc1 ZINC000521536757 388615961 /nfs/dbraw/zinc/61/59/61/388615961.db2.gz ZJFLQEVYVJSTKJ-HNNXBMFYSA-N 0 0 247.382 3.948 20 0 BHADRN CCCc1ccc(C(=O)N[C@H](CC)CCC)cc1 ZINC000521536758 388616089 /nfs/dbraw/zinc/61/60/89/388616089.db2.gz ZJFLQEVYVJSTKJ-OAHLLOKOSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@@H](NC(=O)c1ccc(C)s1)C(C)(C)C ZINC000521537389 388616391 /nfs/dbraw/zinc/61/63/91/388616391.db2.gz DVTAPWVAIMVVEK-LLVKDONJSA-N 0 0 239.384 3.611 20 0 BHADRN CC[C@H](NC(=O)c1ccc(C)s1)C(C)(C)C ZINC000521537392 388616154 /nfs/dbraw/zinc/61/61/54/388616154.db2.gz DVTAPWVAIMVVEK-NSHDSACASA-N 0 0 239.384 3.611 20 0 BHADRN CC[C@H](NC(=O)c1cc(C)cc(C)c1)C(C)(C)C ZINC000521537841 259534778 /nfs/dbraw/zinc/53/47/78/259534778.db2.gz OVFIDPPAGQKAHB-AWEZNQCLSA-N 0 0 247.382 3.858 20 0 BHADRN CC[C@@H](NC(=O)c1cc(C)cc(C)c1)C(C)(C)C ZINC000521537842 388616168 /nfs/dbraw/zinc/61/61/68/388616168.db2.gz OVFIDPPAGQKAHB-CQSZACIVSA-N 0 0 247.382 3.858 20 0 BHADRN CCC[C@H](CC)NC(=O)c1ccc(CC)cc1 ZINC000521538773 388616335 /nfs/dbraw/zinc/61/63/35/388616335.db2.gz JKBKJFTULRQEHK-AWEZNQCLSA-N 0 0 233.355 3.558 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1ccc(CC)cc1 ZINC000521538774 388616182 /nfs/dbraw/zinc/61/61/82/388616182.db2.gz JKBKJFTULRQEHK-CQSZACIVSA-N 0 0 233.355 3.558 20 0 BHADRN CC[C@@H](NC(=O)c1cccc(C)c1)C(C)(C)C ZINC000521539366 388615818 /nfs/dbraw/zinc/61/58/18/388615818.db2.gz KUHZOMPVYSSWCT-CYBMUJFWSA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@H](NC(=O)c1cccc(C)c1)C(C)(C)C ZINC000521539367 388615909 /nfs/dbraw/zinc/61/59/09/388615909.db2.gz KUHZOMPVYSSWCT-ZDUSSCGKSA-N 0 0 233.355 3.550 20 0 BHADRN CCCN(CCC)C(=O)N[C@H](CC)C(C)(C)C ZINC000521540501 388616713 /nfs/dbraw/zinc/61/67/13/388616713.db2.gz IIDDMSHSNUUEGL-GFCCVEGCSA-N 0 0 242.407 3.643 20 0 BHADRN CCCN(CCC)C(=O)N[C@@H](CC)C(C)(C)C ZINC000521540502 388616716 /nfs/dbraw/zinc/61/67/16/388616716.db2.gz IIDDMSHSNUUEGL-LBPRGKRZSA-N 0 0 242.407 3.643 20 0 BHADRN CCCC[C@@H](CC)CSCCOCC ZINC000521540715 259535275 /nfs/dbraw/zinc/53/52/75/259535275.db2.gz YNMBLIKMJDBHMW-GFCCVEGCSA-N 0 0 218.406 3.973 20 0 BHADRN CCCC[C@H](CC)CSCCOCC ZINC000521540716 388616680 /nfs/dbraw/zinc/61/66/80/388616680.db2.gz YNMBLIKMJDBHMW-LBPRGKRZSA-N 0 0 218.406 3.973 20 0 BHADRN CCCC(CCC)Sc1nccc(OC)n1 ZINC000521563346 259536090 /nfs/dbraw/zinc/53/60/90/259536090.db2.gz XMBBUIPZZGGCGB-UHFFFAOYSA-N 0 0 240.372 3.546 20 0 BHADRN CC(C)c1noc([C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000521587425 388617948 /nfs/dbraw/zinc/61/79/48/388617948.db2.gz UILYAUVKYBTSFH-DOMZBBRYSA-N 0 0 242.322 3.638 20 0 BHADRN Cc1ccc(Nc2ccnc(C(C)C)n2)cc1 ZINC000521594126 388618263 /nfs/dbraw/zinc/61/82/63/388618263.db2.gz STHBWOGRSPWVII-UHFFFAOYSA-N 0 0 227.311 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H](C)C1NC(=O)CC1=CCCCC1 ZINC000521607693 259324764 /nfs/dbraw/zinc/32/47/64/259324764.db2.gz SADNTEODRXFOGH-CHWSQXEVSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H]1CCC[C@H](C)C1NC(=O)CC1=CCCCC1 ZINC000521607707 259324831 /nfs/dbraw/zinc/32/48/31/259324831.db2.gz SADNTEODRXFOGH-STQMWFEESA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)CC1=CCCCC1 ZINC000521607708 259324744 /nfs/dbraw/zinc/32/47/44/259324744.db2.gz SADNTEODRXFOGH-VIKVFOODSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H]1CCC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC000521607990 398097252 /nfs/dbraw/zinc/09/72/52/398097252.db2.gz VNZNXODGPLMSJA-DZGCQCFKSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@@H]1CCC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC000521607991 398097588 /nfs/dbraw/zinc/09/75/88/398097588.db2.gz VNZNXODGPLMSJA-HIFRSBDPSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@@H]1CCC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC000521607992 398097676 /nfs/dbraw/zinc/09/76/76/398097676.db2.gz VNZNXODGPLMSJA-UKRRQHHQSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@H]1CCC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC000521607993 398097325 /nfs/dbraw/zinc/09/73/25/398097325.db2.gz VNZNXODGPLMSJA-ZFWWWQNUSA-N 0 0 249.398 3.914 20 0 BHADRN CN(C(=O)CC1=CCCCC1)C1CCCCC1 ZINC000521617001 388618631 /nfs/dbraw/zinc/61/86/31/388618631.db2.gz PZTBYJBOFIPBTA-UHFFFAOYSA-N 0 0 235.371 3.668 20 0 BHADRN CC(C)=CCC[C@@H](C)CC(=O)NC(C)(C)CF ZINC000521628900 259538191 /nfs/dbraw/zinc/53/81/91/259538191.db2.gz OPKSKVPEKFUWKT-GFCCVEGCSA-N 0 0 243.366 3.623 20 0 BHADRN CC(C)=CCC[C@H](C)CC(=O)NC(C)(C)CF ZINC000521628902 388620565 /nfs/dbraw/zinc/62/05/65/388620565.db2.gz OPKSKVPEKFUWKT-LBPRGKRZSA-N 0 0 243.366 3.623 20 0 BHADRN CCCc1nc(C[N@@H+](CCC)C(C)C)cs1 ZINC000521639812 324186347 /nfs/dbraw/zinc/18/63/47/324186347.db2.gz IRYUJAWKRADMJQ-UHFFFAOYSA-N 0 0 240.416 3.716 20 0 BHADRN Cc1cc(C)cc(CN(CC(F)F)C2CC2)c1 ZINC000521656466 398098385 /nfs/dbraw/zinc/09/83/85/398098385.db2.gz KXHSFALSAKRGQX-UHFFFAOYSA-N 0 0 239.309 3.533 20 0 BHADRN CC(C)c1noc([C@@H]2[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000521681031 388624279 /nfs/dbraw/zinc/62/42/79/388624279.db2.gz LTWHFYANQNYPAS-CYZMBNFOSA-N 0 0 242.322 3.710 20 0 BHADRN CC(C)c1noc([C@@H]2[C@H](C)[C@H]2c2ccccc2)n1 ZINC000521681032 388624542 /nfs/dbraw/zinc/62/45/42/388624542.db2.gz LTWHFYANQNYPAS-KGYLQXTDSA-N 0 0 242.322 3.710 20 0 BHADRN CC(C)c1noc([C@@H]2[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000521681033 388624640 /nfs/dbraw/zinc/62/46/40/388624640.db2.gz LTWHFYANQNYPAS-RAIGVLPGSA-N 0 0 242.322 3.710 20 0 BHADRN CC(C)c1noc([C@H]2[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000521681034 388624100 /nfs/dbraw/zinc/62/41/00/388624100.db2.gz LTWHFYANQNYPAS-WCFLWFBJSA-N 0 0 242.322 3.710 20 0 BHADRN CC(C)(C)c1cc(COc2cccc(F)c2)no1 ZINC000521703664 388625303 /nfs/dbraw/zinc/62/53/03/388625303.db2.gz XEHOBKYJBDAPQJ-UHFFFAOYSA-N 0 0 249.285 3.690 20 0 BHADRN Cc1ccc(C)c(OCCOC(C)(C)C)c1C ZINC000521704713 388625290 /nfs/dbraw/zinc/62/52/90/388625290.db2.gz FCMGQLUTEPALKN-UHFFFAOYSA-N 0 0 236.355 3.806 20 0 BHADRN C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)CC1 ZINC000521714371 388626127 /nfs/dbraw/zinc/62/61/27/388626127.db2.gz ARFUZDBKOZEFCJ-GFCCVEGCSA-N 0 0 237.774 3.962 20 0 BHADRN CC(C)CCc1ccc(NC(=O)C(C)C)cc1 ZINC000521718831 388626020 /nfs/dbraw/zinc/62/60/20/388626020.db2.gz NZFJOHSHUWCCJL-UHFFFAOYSA-N 0 0 233.355 3.870 20 0 BHADRN CCC(=O)Nc1ccc(CCC(C)C)cc1 ZINC000521721314 388626067 /nfs/dbraw/zinc/62/60/67/388626067.db2.gz ROBOXIQOIRZAPQ-UHFFFAOYSA-N 0 0 219.328 3.624 20 0 BHADRN C/C=C\CSCc1ncc(C(C)(C)C)o1 ZINC000521722566 411205229 /nfs/dbraw/zinc/20/52/29/411205229.db2.gz GJVJMCQNCWQMRX-WAYWQWQTSA-N 0 0 225.357 3.781 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)CC2CCCCC2)CC1 ZINC000521729582 388627150 /nfs/dbraw/zinc/62/71/50/388627150.db2.gz KHWBTCKPGNLBRJ-MQMHXKEQSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H](CC(=O)NCC1(C)CCCC1)C(C)C ZINC000521758726 259549709 /nfs/dbraw/zinc/54/97/09/259549709.db2.gz ICQRNBWENSVNHM-CYBMUJFWSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@@H](CC(=O)NCC1(C)CCCC1)C(C)C ZINC000521758727 388628496 /nfs/dbraw/zinc/62/84/96/388628496.db2.gz ICQRNBWENSVNHM-ZDUSSCGKSA-N 0 0 239.403 3.755 20 0 BHADRN CCCN(CC(C)C)C(=O)Nc1cccc(C)c1 ZINC000521765056 388628304 /nfs/dbraw/zinc/62/83/04/388628304.db2.gz WFINOFVHTINXMM-UHFFFAOYSA-N 0 0 248.370 3.895 20 0 BHADRN CCCCNC(=O)CSC(CCC)CCC ZINC000521799836 363175012 /nfs/dbraw/zinc/17/50/12/363175012.db2.gz VNTTYNNCROJAGG-UHFFFAOYSA-N 0 0 245.432 3.605 20 0 BHADRN CC(C)CCc1ccccc1NC(=O)C1CC1 ZINC000521802840 363175675 /nfs/dbraw/zinc/17/56/75/363175675.db2.gz CGLGUVMCPJFFBP-UHFFFAOYSA-N 0 0 231.339 3.624 20 0 BHADRN CC(C)OCCSCC1CCCCC1 ZINC000521827052 388632344 /nfs/dbraw/zinc/63/23/44/388632344.db2.gz AUKLAYMZSWYWSG-UHFFFAOYSA-N 0 0 216.390 3.725 20 0 BHADRN CCN(Cc1cccc(F)c1)c1ccccc1 ZINC000521836888 388633162 /nfs/dbraw/zinc/63/31/62/388633162.db2.gz OROCIYIDIDENIX-UHFFFAOYSA-N 0 0 229.298 3.852 20 0 BHADRN CCCNC(=O)Nc1ccccc1CCC(C)C ZINC000521853556 388634689 /nfs/dbraw/zinc/63/46/89/388634689.db2.gz PDFPTHDZEXNIID-UHFFFAOYSA-N 0 0 248.370 3.807 20 0 BHADRN COCc1cc(Cl)ccc1NC[C@H]1C[C@H]1C ZINC000521866133 259554384 /nfs/dbraw/zinc/55/43/84/259554384.db2.gz YIGJXNJMXUEEJV-NXEZZACHSA-N 0 0 239.746 3.554 20 0 BHADRN COCc1cc(Cl)ccc1NC[C@@H]1C[C@@H]1C ZINC000521866138 388635961 /nfs/dbraw/zinc/63/59/61/388635961.db2.gz YIGJXNJMXUEEJV-UWVGGRQHSA-N 0 0 239.746 3.554 20 0 BHADRN COCc1cc(Cl)ccc1NC[C@H]1C[C@@H]1C ZINC000521866139 388635640 /nfs/dbraw/zinc/63/56/40/388635640.db2.gz YIGJXNJMXUEEJV-VHSXEESVSA-N 0 0 239.746 3.554 20 0 BHADRN COCc1cc(Cl)ccc1NC[C@@H]1C[C@H]1C ZINC000521866140 388636096 /nfs/dbraw/zinc/63/60/96/388636096.db2.gz YIGJXNJMXUEEJV-ZJUUUORDSA-N 0 0 239.746 3.554 20 0 BHADRN Cc1cc(C)cc(Nc2nc(C3CC3)cs2)c1 ZINC000521880496 388638664 /nfs/dbraw/zinc/63/86/64/388638664.db2.gz RMKMRWTTWJADKN-UHFFFAOYSA-N 0 0 244.363 3.803 20 0 BHADRN CC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CCCC1 ZINC000521882784 388638524 /nfs/dbraw/zinc/63/85/24/388638524.db2.gz PZJUWSLGRZEICB-RRFJBIMHSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CCCC1 ZINC000521882785 388638575 /nfs/dbraw/zinc/63/85/75/388638575.db2.gz PZJUWSLGRZEICB-ZNMIVQPWSA-N 0 0 249.398 3.508 20 0 BHADRN CCc1cccc2c1N(C(=O)CCC(C)C)CC2 ZINC000521884662 388638694 /nfs/dbraw/zinc/63/86/94/388638694.db2.gz VKQQYSDDWSOWMH-UHFFFAOYSA-N 0 0 245.366 3.574 20 0 BHADRN CCc1cccc2c1N(C(=O)CC(C)(C)C)CC2 ZINC000521885968 388639645 /nfs/dbraw/zinc/63/96/45/388639645.db2.gz DJSYPHBWNYWEQW-UHFFFAOYSA-N 0 0 245.366 3.574 20 0 BHADRN C(=C1CCCC1)c1nc(-c2ccsc2)no1 ZINC000521889987 388639407 /nfs/dbraw/zinc/63/94/07/388639407.db2.gz WJKKIQNPSJAHNP-UHFFFAOYSA-N 0 0 232.308 3.756 20 0 BHADRN CCC[C@@H](C)Cc1nc(-c2ccccc2)no1 ZINC000521890455 259557421 /nfs/dbraw/zinc/55/74/21/259557421.db2.gz IHZATHQGYBWPDJ-LLVKDONJSA-N 0 0 230.311 3.715 20 0 BHADRN CCC[C@H](C)Cc1nc(-c2ccccc2)no1 ZINC000521890456 388639937 /nfs/dbraw/zinc/63/99/37/388639937.db2.gz IHZATHQGYBWPDJ-NSHDSACASA-N 0 0 230.311 3.715 20 0 BHADRN CC(C)C[C@@H](C)Cc1nc(-c2ccccc2)no1 ZINC000521891239 388639450 /nfs/dbraw/zinc/63/94/50/388639450.db2.gz KCLGTESWBIMWIC-GFCCVEGCSA-N 0 0 244.338 3.961 20 0 BHADRN CC(C)C[C@H](C)Cc1nc(-c2ccccc2)no1 ZINC000521891240 388639198 /nfs/dbraw/zinc/63/91/98/388639198.db2.gz KCLGTESWBIMWIC-LBPRGKRZSA-N 0 0 244.338 3.961 20 0 BHADRN CC(C)=Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000521895925 259557633 /nfs/dbraw/zinc/55/76/33/259557633.db2.gz RMXDHODKLKIOND-UHFFFAOYSA-N 0 0 234.686 3.813 20 0 BHADRN c1csc(Sc2cnc3ccccc3n2)c1 ZINC000521916598 388666831 /nfs/dbraw/zinc/66/68/31/388666831.db2.gz JZWPJSADDJSWKO-UHFFFAOYSA-N 0 0 244.344 3.843 20 0 BHADRN Cc1ccc(Nc2cc(C(C)C)ncn2)cc1 ZINC000521918866 388667380 /nfs/dbraw/zinc/66/73/80/388667380.db2.gz DIQAMKTWLVSSRQ-UHFFFAOYSA-N 0 0 227.311 3.652 20 0 BHADRN Cc1ccc(Nc2cc(C(C)C)ncn2)cc1F ZINC000521919224 388667741 /nfs/dbraw/zinc/66/77/41/388667741.db2.gz RQDBORUGVOIOEB-UHFFFAOYSA-N 0 0 245.301 3.791 20 0 BHADRN CCN(c1cc(C(C)C)ncn1)C1CCCCC1 ZINC000521919396 388667076 /nfs/dbraw/zinc/66/70/76/388667076.db2.gz IFRSCEWQGDJLHZ-UHFFFAOYSA-N 0 0 247.386 3.759 20 0 BHADRN CC(C)c1cc(N(C)[C@@H]2CCC[C@@H](C)C2)ncn1 ZINC000521926682 259577566 /nfs/dbraw/zinc/57/75/66/259577566.db2.gz VUIXLZJHMIWTQX-CHWSQXEVSA-N 0 0 247.386 3.615 20 0 BHADRN CC(C)c1cc(N(C)[C@H]2CCC[C@@H](C)C2)ncn1 ZINC000521926683 388668071 /nfs/dbraw/zinc/66/80/71/388668071.db2.gz VUIXLZJHMIWTQX-OLZOCXBDSA-N 0 0 247.386 3.615 20 0 BHADRN CC(C)c1cc(N(C)[C@@H]2CCC[C@H](C)C2)ncn1 ZINC000521926684 259577256 /nfs/dbraw/zinc/57/72/56/259577256.db2.gz VUIXLZJHMIWTQX-QWHCGFSZSA-N 0 0 247.386 3.615 20 0 BHADRN CC(C)c1cc(N(C)[C@H]2CCC[C@H](C)C2)ncn1 ZINC000521926685 388667900 /nfs/dbraw/zinc/66/79/00/388667900.db2.gz VUIXLZJHMIWTQX-STQMWFEESA-N 0 0 247.386 3.615 20 0 BHADRN CCC(CC)Sc1ccnc(C(C)C)n1 ZINC000521930248 388668040 /nfs/dbraw/zinc/66/80/40/388668040.db2.gz GOVAQLSWYAHZBU-UHFFFAOYSA-N 0 0 224.373 3.881 20 0 BHADRN C[C@H](CC1CCCCC1)NC(=O)C1=CCCCC1 ZINC000521947052 259578435 /nfs/dbraw/zinc/57/84/35/259578435.db2.gz UCHQWVLELGZZPD-CYBMUJFWSA-N 0 0 249.398 3.962 20 0 BHADRN Cc1cc(N(C)CC2CCC2)c2ccccc2[nH+]1 ZINC000521969172 398104096 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C[C@H](CCC(C)(C)C)NC(=O)C1(C)CCCC1 ZINC000522911822 388778231 /nfs/dbraw/zinc/77/82/31/388778231.db2.gz MSCKDILHDXXTAD-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H](CCC(C)(C)C)NC(=O)C1(C)CCCC1 ZINC000522911823 388777849 /nfs/dbraw/zinc/77/78/49/388777849.db2.gz MSCKDILHDXXTAD-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1ccccc1C(=O)N[C@H](C)CCC(C)(C)C ZINC000522912902 388778934 /nfs/dbraw/zinc/77/89/34/388778934.db2.gz PJTNIBQYMLZTAI-CYBMUJFWSA-N 0 0 247.382 3.940 20 0 BHADRN Cc1ccccc1C(=O)N[C@@H](C)CCC(C)(C)C ZINC000522912903 259637581 /nfs/dbraw/zinc/63/75/81/259637581.db2.gz PJTNIBQYMLZTAI-ZDUSSCGKSA-N 0 0 247.382 3.940 20 0 BHADRN O=C(CCCC1CCCCC1)N[C@H]1CC=CCC1 ZINC000522914164 388777908 /nfs/dbraw/zinc/77/79/08/388777908.db2.gz UJZNGVLMIGKVCT-HNNXBMFYSA-N 0 0 249.398 3.962 20 0 BHADRN O=C(CCCC1CCCCC1)N[C@@H]1CC=CCC1 ZINC000522914165 388777575 /nfs/dbraw/zinc/77/75/75/388777575.db2.gz UJZNGVLMIGKVCT-OAHLLOKOSA-N 0 0 249.398 3.962 20 0 BHADRN CC(C)c1ccc(C(=O)N[C@H]2CC=CCC2)cc1 ZINC000522917393 259637565 /nfs/dbraw/zinc/63/75/65/259637565.db2.gz MNRZFWFXKGKCMA-HNNXBMFYSA-N 0 0 243.350 3.649 20 0 BHADRN CC(C)c1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000522917394 388777509 /nfs/dbraw/zinc/77/75/09/388777509.db2.gz MNRZFWFXKGKCMA-OAHLLOKOSA-N 0 0 243.350 3.649 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccsc1 ZINC000522921588 259305533 /nfs/dbraw/zinc/30/55/33/259305533.db2.gz ACKMYLCVOSDYME-GHMZBOCLSA-N 0 0 237.368 3.903 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccsc1 ZINC000522921589 259305504 /nfs/dbraw/zinc/30/55/04/259305504.db2.gz ACKMYLCVOSDYME-MNOVXSKESA-N 0 0 237.368 3.903 20 0 BHADRN C[C@H]1CCCC[C@H]1CC(=O)Nc1ccsc1 ZINC000522921590 259305585 /nfs/dbraw/zinc/30/55/85/259305585.db2.gz ACKMYLCVOSDYME-QWRGUYRKSA-N 0 0 237.368 3.903 20 0 BHADRN C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccsc1 ZINC000522921591 259305885 /nfs/dbraw/zinc/30/58/85/259305885.db2.gz ACKMYLCVOSDYME-WDEREUQCSA-N 0 0 237.368 3.903 20 0 BHADRN c1cncc(CCSCC2CCCCC2)c1 ZINC000522964686 259638647 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Cc1ccc([C@H](C)NC(=O)CCC(C)(C)C)cc1 ZINC000523114090 259643016 /nfs/dbraw/zinc/64/30/16/259643016.db2.gz JZJCYYPWPHIXME-ZDUSSCGKSA-N 0 0 247.382 3.999 20 0 BHADRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)CCC(C)(C)C ZINC000523114249 259643482 /nfs/dbraw/zinc/64/34/82/259643482.db2.gz VENIDDAHWQAXRS-IMRBUKKESA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H]1CCC[C@H](C)C1NC(=O)CCC(C)(C)C ZINC000523114250 388800013 /nfs/dbraw/zinc/80/00/13/388800013.db2.gz VENIDDAHWQAXRS-RYUDHWBXSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CCC[C@@H](C)C1NC(=O)CCC(C)(C)C ZINC000523114251 388799782 /nfs/dbraw/zinc/79/97/82/388799782.db2.gz VENIDDAHWQAXRS-VXGBXAGGSA-N 0 0 239.403 3.754 20 0 BHADRN CCC1(C)CCN(C(=O)CCC(C)(C)C)CC1 ZINC000523122919 388801456 /nfs/dbraw/zinc/80/14/56/388801456.db2.gz CCKUIYKHWPCCDJ-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CN(CC1CCCCC1)C(=O)CCC(C)(C)C ZINC000523139832 388801538 /nfs/dbraw/zinc/80/15/38/388801538.db2.gz OAAGZXDQBRCKQN-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000523147657 388803369 /nfs/dbraw/zinc/80/33/69/388803369.db2.gz SJPZKZOHJVDLCW-CRWXNKLISA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C[C@H]1CCCC[C@H]1C ZINC000523147658 259644063 /nfs/dbraw/zinc/64/40/63/259644063.db2.gz SJPZKZOHJVDLCW-RFQIPJPRSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000523147659 259643827 /nfs/dbraw/zinc/64/38/27/259643827.db2.gz SJPZKZOHJVDLCW-XDQVBPFNSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000523147660 388803795 /nfs/dbraw/zinc/80/37/95/388803795.db2.gz SJPZKZOHJVDLCW-XUXIUFHCSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CCCNC(=O)C1CCCCCC1 ZINC000523153611 259644662 /nfs/dbraw/zinc/64/46/62/259644662.db2.gz RSJLUOZXADCIQL-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)C1CCCCCC1 ZINC000523154433 388804825 /nfs/dbraw/zinc/80/48/25/388804825.db2.gz KNRZIISBFHMKSA-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)C1CCCCCC1 ZINC000523154434 388804900 /nfs/dbraw/zinc/80/49/00/388804900.db2.gz KNRZIISBFHMKSA-ZDUSSCGKSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)[C@@H]1CCCN1C(=O)C1CCCCCC1 ZINC000523155632 388805415 /nfs/dbraw/zinc/80/54/15/388805415.db2.gz DKGANZRLBQOUAW-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)[C@H]1CCCN1C(=O)C1CCCCCC1 ZINC000523155633 388804787 /nfs/dbraw/zinc/80/47/87/388804787.db2.gz DKGANZRLBQOUAW-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN O=C(NCCC1=CCCCC1)C1CCCCCC1 ZINC000523162446 388805406 /nfs/dbraw/zinc/80/54/06/388805406.db2.gz BMBDSRFAHMGQOU-UHFFFAOYSA-N 0 0 249.398 3.964 20 0 BHADRN CC(C)N(CC1CC1)C(=O)C1CCCCCC1 ZINC000523175562 388806080 /nfs/dbraw/zinc/80/60/80/388806080.db2.gz CSFJXQJWAPYHKU-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1cc(CSc2cccc(Cl)c2)on1 ZINC000523183312 388807578 /nfs/dbraw/zinc/80/75/78/388807578.db2.gz CVSWZXRKKUFGBA-UHFFFAOYSA-N 0 0 239.727 3.929 20 0 BHADRN Cc1cc(CSc2cccc(Cl)c2)no1 ZINC000523183314 388808128 /nfs/dbraw/zinc/80/81/28/388808128.db2.gz CZINJIGGFAODIM-UHFFFAOYSA-N 0 0 239.727 3.929 20 0 BHADRN Cc1cc(C)cc(NC(=O)NC2(C)CCCC2)c1 ZINC000523223560 259645829 /nfs/dbraw/zinc/64/58/29/259645829.db2.gz JMEIAINESYAEPG-UHFFFAOYSA-N 0 0 246.354 3.758 20 0 BHADRN Cc1ccc(NC(=O)NC2(C)CCCC2)c(C)c1 ZINC000523225232 388813008 /nfs/dbraw/zinc/81/30/08/388813008.db2.gz YHYDXUYBUXZWFO-UHFFFAOYSA-N 0 0 246.354 3.758 20 0 BHADRN CCC(CC)SCc1cn2ccsc2n1 ZINC000523226307 388812988 /nfs/dbraw/zinc/81/29/88/388812988.db2.gz ZCQFSDPUAWGAFV-UHFFFAOYSA-N 0 0 240.397 3.818 20 0 BHADRN CCCC(C)(C)NC(=O)c1ccc(Cl)s1 ZINC000523301652 259646491 /nfs/dbraw/zinc/64/64/91/259646491.db2.gz FVZXXPJOJPMSHO-UHFFFAOYSA-N 0 0 245.775 3.710 20 0 BHADRN CCCC(C)(C)NC(=O)C[C@H]1CCCC[C@H]1C ZINC000523301836 259646545 /nfs/dbraw/zinc/64/65/45/259646545.db2.gz CWJGTKAZSIBRAF-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC(C)(C)NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000523301837 388817037 /nfs/dbraw/zinc/81/70/37/388817037.db2.gz CWJGTKAZSIBRAF-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC(C)(C)NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000523301838 388817768 /nfs/dbraw/zinc/81/77/68/388817768.db2.gz CWJGTKAZSIBRAF-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC(C)(C)NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000523301839 388817031 /nfs/dbraw/zinc/81/70/31/388817031.db2.gz CWJGTKAZSIBRAF-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](C)CC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000523317817 388828008 /nfs/dbraw/zinc/82/80/08/388828008.db2.gz DAVHKICSZRIOMH-NEPJUHHUSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@H](C)CC(=O)N(C)[C@H](C)C(C)(C)C ZINC000523317818 388827573 /nfs/dbraw/zinc/82/75/73/388827573.db2.gz DAVHKICSZRIOMH-NWDGAFQWSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@H](C)CC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000523317819 388827158 /nfs/dbraw/zinc/82/71/58/388827158.db2.gz DAVHKICSZRIOMH-RYUDHWBXSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@@H](C)CC(=O)N(C)[C@H](C)C(C)(C)C ZINC000523317820 388827295 /nfs/dbraw/zinc/82/72/95/388827295.db2.gz DAVHKICSZRIOMH-VXGBXAGGSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@@H](C)CC(=O)N(C(CC)CC)C1CC1 ZINC000523317994 388826947 /nfs/dbraw/zinc/82/69/47/388826947.db2.gz VXHQQCBNSIRNEG-GFCCVEGCSA-N 0 0 239.403 3.992 20 0 BHADRN CCC[C@H](C)CC(=O)N(C(CC)CC)C1CC1 ZINC000523317995 388827250 /nfs/dbraw/zinc/82/72/50/388827250.db2.gz VXHQQCBNSIRNEG-LBPRGKRZSA-N 0 0 239.403 3.992 20 0 BHADRN CCC[C@@H](C)CC(=O)N(CC(C)C)C(C)C ZINC000523320613 259648017 /nfs/dbraw/zinc/64/80/17/259648017.db2.gz ZKICHHABPSZEBP-CYBMUJFWSA-N 0 0 227.392 3.706 20 0 BHADRN CCC[C@H](C)CC(=O)N(CC(C)C)C(C)C ZINC000523320614 259648008 /nfs/dbraw/zinc/64/80/08/259648008.db2.gz ZKICHHABPSZEBP-ZDUSSCGKSA-N 0 0 227.392 3.706 20 0 BHADRN CCCCCN(C(=O)NC(CC)CC)C(C)C ZINC000523343759 259650142 /nfs/dbraw/zinc/65/01/42/259650142.db2.gz JAXGOUDYWTVYRB-UHFFFAOYSA-N 0 0 242.407 3.785 20 0 BHADRN CCc1ccccc1NC(=O)N(CC)C1CCC1 ZINC000523442274 388839205 /nfs/dbraw/zinc/83/92/05/388839205.db2.gz UTLUHXUCJKSNND-UHFFFAOYSA-N 0 0 246.354 3.655 20 0 BHADRN Cc1ccc(C)c([C@@H](C)N(C)CC(F)(F)F)c1 ZINC000523443190 388838788 /nfs/dbraw/zinc/83/87/88/388838788.db2.gz GBZAMUPNVJGGDD-LLVKDONJSA-N 0 0 245.288 3.859 20 0 BHADRN Cc1ccc(C)c([C@H](C)N(C)CC(F)(F)F)c1 ZINC000523443191 388838972 /nfs/dbraw/zinc/83/89/72/388838972.db2.gz GBZAMUPNVJGGDD-NSHDSACASA-N 0 0 245.288 3.859 20 0 BHADRN CCCCSCCC(=O)N(CC)CCCC ZINC000523485104 388842953 /nfs/dbraw/zinc/84/29/53/388842953.db2.gz ATNOEFOWBGYYAZ-UHFFFAOYSA-N 0 0 245.432 3.558 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)[C@H](C)c1cccc(C)c1 ZINC000523489901 388843198 /nfs/dbraw/zinc/84/31/98/388843198.db2.gz FBJPLRNQXGNUGM-BFHYXJOUSA-N 0 0 247.382 3.649 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)[C@H](C)c1cccc(C)c1 ZINC000523489902 388842739 /nfs/dbraw/zinc/84/27/39/388842739.db2.gz FBJPLRNQXGNUGM-MJBXVCDLSA-N 0 0 247.382 3.649 20 0 BHADRN Cc1cccc([C@H](C)C(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000523498549 259653874 /nfs/dbraw/zinc/65/38/74/259653874.db2.gz ROTWZRFTQQDXCC-KBPBESRZSA-N 0 0 247.382 3.601 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000523498550 259653551 /nfs/dbraw/zinc/65/35/51/259653551.db2.gz ROTWZRFTQQDXCC-KGLIPLIRSA-N 0 0 247.382 3.601 20 0 BHADRN Cc1cccc([C@H](C)C(=O)N(C)[C@H](C)C(C)C)c1 ZINC000523498551 388842465 /nfs/dbraw/zinc/84/24/65/388842465.db2.gz ROTWZRFTQQDXCC-UONOGXRCSA-N 0 0 247.382 3.601 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)N(C)[C@H](C)C(C)C)c1 ZINC000523498552 259653680 /nfs/dbraw/zinc/65/36/80/259653680.db2.gz ROTWZRFTQQDXCC-ZIAGYGMSSA-N 0 0 247.382 3.601 20 0 BHADRN CCC(CC)CNC(=O)[C@H](C)c1cccc(C)c1 ZINC000523502183 388844354 /nfs/dbraw/zinc/84/43/54/388844354.db2.gz LSYWUYQNNWVJAY-CYBMUJFWSA-N 0 0 247.382 3.651 20 0 BHADRN CCC(CC)CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC000523502184 259653858 /nfs/dbraw/zinc/65/38/58/259653858.db2.gz LSYWUYQNNWVJAY-ZDUSSCGKSA-N 0 0 247.382 3.651 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000523502798 388843799 /nfs/dbraw/zinc/84/37/99/388843799.db2.gz NWITUJPSBIWMRG-HZSPNIEDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@H](C)CNC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000523502799 259653511 /nfs/dbraw/zinc/65/35/11/259653511.db2.gz NWITUJPSBIWMRG-MCIONIFRSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@H](C)CNC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000523502800 388844305 /nfs/dbraw/zinc/84/43/05/388844305.db2.gz NWITUJPSBIWMRG-MGPQQGTHSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000523502801 388844308 /nfs/dbraw/zinc/84/43/08/388844308.db2.gz NWITUJPSBIWMRG-RDBSUJKOSA-N 0 0 239.403 3.611 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)NCCC(C)(C)C)c1 ZINC000523504747 388844535 /nfs/dbraw/zinc/84/45/35/388844535.db2.gz OUPROVZKISEXGZ-CYBMUJFWSA-N 0 0 247.382 3.651 20 0 BHADRN Cc1cccc([C@H](C)C(=O)NCCC(C)(C)C)c1 ZINC000523504748 388843958 /nfs/dbraw/zinc/84/39/58/388843958.db2.gz OUPROVZKISEXGZ-ZDUSSCGKSA-N 0 0 247.382 3.651 20 0 BHADRN CCCC[C@@H](CC)C(=O)NC[C@@H](C)C(C)C ZINC000523505171 388844426 /nfs/dbraw/zinc/84/44/26/388844426.db2.gz DEGKFBZICCKICI-CHWSQXEVSA-N 0 0 227.392 3.611 20 0 BHADRN CCCC[C@H](CC)C(=O)NC[C@@H](C)C(C)C ZINC000523505172 259653754 /nfs/dbraw/zinc/65/37/54/259653754.db2.gz DEGKFBZICCKICI-OLZOCXBDSA-N 0 0 227.392 3.611 20 0 BHADRN CCCC[C@@H](CC)C(=O)NC[C@H](C)C(C)C ZINC000523505173 388843827 /nfs/dbraw/zinc/84/38/27/388843827.db2.gz DEGKFBZICCKICI-QWHCGFSZSA-N 0 0 227.392 3.611 20 0 BHADRN CCCC[C@H](CC)C(=O)NC[C@H](C)C(C)C ZINC000523505174 259653589 /nfs/dbraw/zinc/65/35/89/259653589.db2.gz DEGKFBZICCKICI-STQMWFEESA-N 0 0 227.392 3.611 20 0 BHADRN C[C@H]1C[C@H](NC(=O)CCC(C)(C)C)C[C@@H](C)C1 ZINC000523510816 388843560 /nfs/dbraw/zinc/84/35/60/388843560.db2.gz BYBYUTZIRGCQIR-ITGUQSILSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC(NC(=O)CCC(C)(C)C)C[C@@H](C)C1 ZINC000523510817 259653845 /nfs/dbraw/zinc/65/38/45/259653845.db2.gz BYBYUTZIRGCQIR-RYUDHWBXSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H]1CC(NC(=O)CCC(C)(C)C)C[C@H](C)C1 ZINC000523510818 259653827 /nfs/dbraw/zinc/65/38/27/259653827.db2.gz BYBYUTZIRGCQIR-VXGBXAGGSA-N 0 0 239.403 3.754 20 0 BHADRN Cc1ccccc1C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000523513565 259654046 /nfs/dbraw/zinc/65/40/46/259654046.db2.gz LROLCACOEMQEHV-IMRBUKKESA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccccc1C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000523513566 259328904 /nfs/dbraw/zinc/32/89/04/259328904.db2.gz LROLCACOEMQEHV-RYUDHWBXSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccccc1C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000523513567 259329152 /nfs/dbraw/zinc/32/91/52/259329152.db2.gz LROLCACOEMQEHV-VXGBXAGGSA-N 0 0 245.366 3.550 20 0 BHADRN C[C@@H](N(C)C(=O)C1CCCCCC1)C(C)(C)C ZINC000523518309 388845355 /nfs/dbraw/zinc/84/53/55/388845355.db2.gz KYRQBPJCKKBRCC-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H](N(C)C(=O)C1CCCCCC1)C(C)(C)C ZINC000523518310 388845262 /nfs/dbraw/zinc/84/52/62/388845262.db2.gz KYRQBPJCKKBRCC-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(CC)CNC(=O)NCCCC(C)(C)C ZINC000523518802 388845105 /nfs/dbraw/zinc/84/51/05/388845105.db2.gz SPQANHWFUDGFMV-UHFFFAOYSA-N 0 0 242.407 3.548 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)NCCCC(C)(C)C ZINC000523520934 388845466 /nfs/dbraw/zinc/84/54/66/388845466.db2.gz KKIWDYKTGIDCOA-NEPJUHHUSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)NCCCC(C)(C)C ZINC000523520935 388845160 /nfs/dbraw/zinc/84/51/60/388845160.db2.gz KKIWDYKTGIDCOA-NWDGAFQWSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)NCCCC(C)(C)C ZINC000523520936 388845455 /nfs/dbraw/zinc/84/54/55/388845455.db2.gz KKIWDYKTGIDCOA-RYUDHWBXSA-N 0 0 242.407 3.547 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)NCCCC(C)(C)C ZINC000523520937 388845326 /nfs/dbraw/zinc/84/53/26/388845326.db2.gz KKIWDYKTGIDCOA-VXGBXAGGSA-N 0 0 242.407 3.547 20 0 BHADRN CC(C)(C)CCCNC(=O)NCCC(C)(C)C ZINC000523524574 259653677 /nfs/dbraw/zinc/65/36/77/259653677.db2.gz TTZIKACBGOHZPB-UHFFFAOYSA-N 0 0 242.407 3.548 20 0 BHADRN CCC(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000523528087 363359370 /nfs/dbraw/zinc/35/93/70/363359370.db2.gz HNJVMUVRDHHXEZ-UHFFFAOYSA-N 0 0 249.354 3.768 20 0 BHADRN CCC[C@H](C)CC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000523541047 363360461 /nfs/dbraw/zinc/36/04/61/363360461.db2.gz YVMQBYVXGVBSDM-AVGNSLFASA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000523541048 363360321 /nfs/dbraw/zinc/36/03/21/363360321.db2.gz YVMQBYVXGVBSDM-IGQOVBAYSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000523541049 363360754 /nfs/dbraw/zinc/36/07/54/363360754.db2.gz YVMQBYVXGVBSDM-MQYQWHSLSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000523541050 324208402 /nfs/dbraw/zinc/20/84/02/324208402.db2.gz YVMQBYVXGVBSDM-YNEHKIRRSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H]1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000523544489 324208181 /nfs/dbraw/zinc/20/81/81/324208181.db2.gz IIKMBEZYUXFRIU-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC000523544490 324208339 /nfs/dbraw/zinc/20/83/39/324208339.db2.gz IIKMBEZYUXFRIU-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC000523544491 324208558 /nfs/dbraw/zinc/20/85/58/324208558.db2.gz IIKMBEZYUXFRIU-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000523544492 324208241 /nfs/dbraw/zinc/20/82/41/324208241.db2.gz IIKMBEZYUXFRIU-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)(C)CCCNC(=O)CC1=CCCCC1 ZINC000523546564 324208330 /nfs/dbraw/zinc/20/83/30/324208330.db2.gz CKIOWICZWPFFCO-UHFFFAOYSA-N 0 0 237.387 3.819 20 0 BHADRN CC(C)(C)CCCNC(=O)C1(C)CCCC1 ZINC000523547116 324208688 /nfs/dbraw/zinc/20/86/88/324208688.db2.gz VWEQISFJSHHIMS-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN C[C@H]1CCCC[C@H]1NC(=O)C1CCCCCC1 ZINC000523548096 324208500 /nfs/dbraw/zinc/20/85/00/324208500.db2.gz QVYUFDMXSLCLFK-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCCC[C@@H]1NC(=O)C1CCCCCC1 ZINC000523548097 324208444 /nfs/dbraw/zinc/20/84/44/324208444.db2.gz QVYUFDMXSLCLFK-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCCCCC1 ZINC000523548098 324208608 /nfs/dbraw/zinc/20/86/08/324208608.db2.gz QVYUFDMXSLCLFK-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCCC[C@H]1NC(=O)C1CCCCCC1 ZINC000523548099 324208415 /nfs/dbraw/zinc/20/84/15/324208415.db2.gz QVYUFDMXSLCLFK-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1ccc(CNC(=O)C2CCCCCC2)cc1 ZINC000523550423 324208300 /nfs/dbraw/zinc/20/83/00/324208300.db2.gz JNXBPSDCESQIAX-UHFFFAOYSA-N 0 0 245.366 3.582 20 0 BHADRN O=C(NC1CCCCCC1)C1CCCCCC1 ZINC000523550697 324208599 /nfs/dbraw/zinc/20/85/99/324208599.db2.gz UDNDFUAXKZAXGU-UHFFFAOYSA-N 0 0 237.387 3.796 20 0 BHADRN CCCN(CCC)C(=O)NCCCC(C)(C)C ZINC000523571264 324208456 /nfs/dbraw/zinc/20/84/56/324208456.db2.gz OGSJBZPCUYCNLG-UHFFFAOYSA-N 0 0 242.407 3.644 20 0 BHADRN CCc1cccc(NC(=O)N2CCC[C@@H]2CC)c1 ZINC000523590984 324209107 /nfs/dbraw/zinc/20/91/07/324209107.db2.gz OARBCUQNTXLXMH-AWEZNQCLSA-N 0 0 246.354 3.655 20 0 BHADRN CCc1cccc(NC(=O)N2CCC[C@H]2CC)c1 ZINC000523590985 324209139 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259657312 /nfs/dbraw/zinc/65/73/12/259657312.db2.gz PUZHGLGHHSGYOH-VOAKCMCISA-N 0 0 239.403 3.610 20 0 BHADRN C[C@H](C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C)C(C)(C)C ZINC000523715588 259657629 /nfs/dbraw/zinc/65/76/29/259657629.db2.gz PUZHGLGHHSGYOH-XQHKEYJVSA-N 0 0 239.403 3.610 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H](C)C(C)(C)C ZINC000523715730 388856095 /nfs/dbraw/zinc/85/60/95/388856095.db2.gz VYVTYVKSASRUAR-JTQLQIEISA-N 0 0 237.318 3.755 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H](C)C(C)(C)C ZINC000523715731 388855816 /nfs/dbraw/zinc/85/58/16/388855816.db2.gz VYVTYVKSASRUAR-SNVBAGLBSA-N 0 0 237.318 3.755 20 0 BHADRN CCCCCC(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000523723405 388857815 /nfs/dbraw/zinc/85/78/15/388857815.db2.gz SGCPYWODZUUWRL-KBPBESRZSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCC(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000523723406 388857194 /nfs/dbraw/zinc/85/71/94/388857194.db2.gz SGCPYWODZUUWRL-KGLIPLIRSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCC(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000523723407 388858086 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Cc1ccc(NC(=O)NC2(C)CCCC2)cc1C ZINC000523945297 388863889 /nfs/dbraw/zinc/86/38/89/388863889.db2.gz HAQDAQOGSIILCV-UHFFFAOYSA-N 0 0 246.354 3.758 20 0 BHADRN CCc1cccc(NC(=O)NC2(C)CCCC2)c1 ZINC000523945534 388864006 /nfs/dbraw/zinc/86/40/06/388864006.db2.gz MQYQTBKFWYTZAJ-UHFFFAOYSA-N 0 0 246.354 3.703 20 0 BHADRN Cc1ccc(C)c(NC(=O)NC2(C)CCCC2)c1 ZINC000523947569 388864048 /nfs/dbraw/zinc/86/40/48/388864048.db2.gz LLKGSSCGLWEMQY-UHFFFAOYSA-N 0 0 246.354 3.758 20 0 BHADRN CCCC(CCC)SCCCCCO ZINC000523952903 388863953 /nfs/dbraw/zinc/86/39/53/388863953.db2.gz SJAVACUSEIQQSE-UHFFFAOYSA-N 0 0 218.406 3.851 20 0 BHADRN CCc1nc(Cc2ccccc2F)sc1C ZINC000523976933 398115920 /nfs/dbraw/zinc/11/59/20/398115920.db2.gz KKGHZAMSHBPRIF-UHFFFAOYSA-N 0 0 235.327 3.744 20 0 BHADRN CCN(Cc1ccc(C)cc1)C(=O)C(C)(C)CC ZINC000524014617 388345514 /nfs/dbraw/zinc/34/55/14/388345514.db2.gz PUTPPXUMVQXASO-UHFFFAOYSA-N 0 0 247.382 3.780 20 0 BHADRN CCC(C)(C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000524014660 388345305 /nfs/dbraw/zinc/34/53/05/388345305.db2.gz RETLCABYEZWQBF-GFCCVEGCSA-N 0 0 233.355 3.608 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000524014661 388345454 /nfs/dbraw/zinc/34/54/54/388345454.db2.gz RETLCABYEZWQBF-LBPRGKRZSA-N 0 0 233.355 3.608 20 0 BHADRN CCc1cccc(NC(=O)N(C)CC(C)(C)C)c1 ZINC000524025181 388346128 /nfs/dbraw/zinc/34/61/28/388346128.db2.gz TXNUNRPJTSOOMD-UHFFFAOYSA-N 0 0 248.370 3.759 20 0 BHADRN Fc1cccc(OCCCc2ccccc2)c1F ZINC000524034111 388346067 /nfs/dbraw/zinc/34/60/67/388346067.db2.gz IXMLCZSKFJDVBD-UHFFFAOYSA-N 0 0 248.272 3.976 20 0 BHADRN Cc1nc(SCCc2ccc(C)cc2)oc1C ZINC000524034176 259662180 /nfs/dbraw/zinc/66/21/80/259662180.db2.gz MUQJTIQDAIUITM-UHFFFAOYSA-N 0 0 247.363 3.935 20 0 BHADRN Cc1cccc(N(C)C(=O)C2(C)CCCC2)c1 ZINC000524038200 388346436 /nfs/dbraw/zinc/34/64/36/388346436.db2.gz WTPQREJRJDJSDQ-UHFFFAOYSA-N 0 0 231.339 3.538 20 0 BHADRN Cc1ccccc1CNC(=O)C[C@H](C)CC(C)C ZINC000524087569 388346842 /nfs/dbraw/zinc/34/68/42/388346842.db2.gz YRBLHLMYPVFCKM-CYBMUJFWSA-N 0 0 247.382 3.684 20 0 BHADRN Cc1ccccc1CNC(=O)C[C@@H](C)CC(C)C ZINC000524087570 388346806 /nfs/dbraw/zinc/34/68/06/388346806.db2.gz YRBLHLMYPVFCKM-ZDUSSCGKSA-N 0 0 247.382 3.684 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000524089700 259662634 /nfs/dbraw/zinc/66/26/34/259662634.db2.gz ZCQSGKHQFPZDEL-LLVKDONJSA-N 0 0 237.318 3.837 20 0 BHADRN CC(C)C[C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000524089701 259662806 /nfs/dbraw/zinc/66/28/06/259662806.db2.gz ZCQSGKHQFPZDEL-NSHDSACASA-N 0 0 237.318 3.837 20 0 BHADRN CCCCC(=O)N[C@@H]1CCC[C@H]1CCCC ZINC000524098831 388347236 /nfs/dbraw/zinc/34/72/36/388347236.db2.gz MLEZTTXKVFNVTB-CHWSQXEVSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC(=O)N[C@H]1CCC[C@H]1CCCC ZINC000524098835 388347121 /nfs/dbraw/zinc/34/71/21/388347121.db2.gz MLEZTTXKVFNVTB-OLZOCXBDSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000524098837 388346901 /nfs/dbraw/zinc/34/69/01/388346901.db2.gz MLEZTTXKVFNVTB-QWHCGFSZSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC(=O)N[C@H]1CCC[C@@H]1CCCC ZINC000524098838 259662737 /nfs/dbraw/zinc/66/27/37/259662737.db2.gz MLEZTTXKVFNVTB-STQMWFEESA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC(=O)N1CCCC[C@H]1[C@@H](C)CC ZINC000524102017 259662752 /nfs/dbraw/zinc/66/27/52/259662752.db2.gz GEXLVAXEXZFKLC-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N1CCCC[C@H]1[C@H](C)CC ZINC000524102097 388347123 /nfs/dbraw/zinc/34/71/23/388347123.db2.gz GEXLVAXEXZFKLC-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000524102098 259662811 /nfs/dbraw/zinc/66/28/11/259662811.db2.gz GEXLVAXEXZFKLC-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000524102099 259662735 /nfs/dbraw/zinc/66/27/35/259662735.db2.gz GEXLVAXEXZFKLC-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN CC[C@@H](C)[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC000524102134 388346839 /nfs/dbraw/zinc/34/68/39/388346839.db2.gz IUPZJIKRVVWIFF-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC000524102135 388347635 /nfs/dbraw/zinc/34/76/35/388347635.db2.gz IUPZJIKRVVWIFF-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC000524102136 388347108 /nfs/dbraw/zinc/34/71/08/388347108.db2.gz IUPZJIKRVVWIFF-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC000524102137 259662490 /nfs/dbraw/zinc/66/24/90/259662490.db2.gz IUPZJIKRVVWIFF-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)(C)CCC(=O)NCCC1=CCCCC1 ZINC000524104237 388347361 /nfs/dbraw/zinc/34/73/61/388347361.db2.gz ZRDDMFLEVGAOES-UHFFFAOYSA-N 0 0 237.387 3.819 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CCC(C)(C)C)[C@@H](C)C1 ZINC000524114071 259662484 /nfs/dbraw/zinc/66/24/84/259662484.db2.gz OIAAUDRFEGCCJW-AGIUHOORSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CCC(C)(C)C)[C@@H](C)C1 ZINC000524114072 388346796 /nfs/dbraw/zinc/34/67/96/388346796.db2.gz OIAAUDRFEGCCJW-FRRDWIJNSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CCC(C)(C)C)[C@H](C)C1 ZINC000524114073 388347581 /nfs/dbraw/zinc/34/75/81/388347581.db2.gz OIAAUDRFEGCCJW-JHJVBQTASA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CCC(C)(C)C)[C@H](C)C1 ZINC000524114075 388346999 /nfs/dbraw/zinc/34/69/99/388346999.db2.gz OIAAUDRFEGCCJW-UPJWGTAASA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H](C(=O)N(C)[C@@H](C)C(C)C)c1ccccc1 ZINC000524139488 259662497 /nfs/dbraw/zinc/66/24/97/259662497.db2.gz JRXWTUXGVFEGBU-DZGCQCFKSA-N 0 0 247.382 3.683 20 0 BHADRN CC[C@H](C(=O)N(C)[C@H](C)C(C)C)c1ccccc1 ZINC000524139489 388347803 /nfs/dbraw/zinc/34/78/03/388347803.db2.gz JRXWTUXGVFEGBU-HIFRSBDPSA-N 0 0 247.382 3.683 20 0 BHADRN CC[C@@H](C(=O)N(C)[C@H](C)C(C)C)c1ccccc1 ZINC000524139490 259663075 /nfs/dbraw/zinc/66/30/75/259663075.db2.gz JRXWTUXGVFEGBU-UKRRQHHQSA-N 0 0 247.382 3.683 20 0 BHADRN CC[C@H](C(=O)N(C)[C@@H](C)C(C)C)c1ccccc1 ZINC000524139491 388348579 /nfs/dbraw/zinc/34/85/79/388348579.db2.gz JRXWTUXGVFEGBU-ZFWWWQNUSA-N 0 0 247.382 3.683 20 0 BHADRN CN(CC(C)(C)C)C(=O)NCCCC(C)(C)C ZINC000524148303 388347807 /nfs/dbraw/zinc/34/78/07/388347807.db2.gz OQDXCMQDLITRMG-UHFFFAOYSA-N 0 0 242.407 3.500 20 0 BHADRN CC[C@H](C(=O)N(C)CC(C)(C)C)c1ccccc1 ZINC000524162985 259663248 /nfs/dbraw/zinc/66/32/48/259663248.db2.gz SQSQSRKZYZXWSP-AWEZNQCLSA-N 0 0 247.382 3.685 20 0 BHADRN CC[C@@H](C(=O)N(C)CC(C)(C)C)c1ccccc1 ZINC000524162986 388348727 /nfs/dbraw/zinc/34/87/27/388348727.db2.gz SQSQSRKZYZXWSP-CQSZACIVSA-N 0 0 247.382 3.685 20 0 BHADRN CN(CC(C)(C)C)c1ccc2ccccc2n1 ZINC000524165432 388348105 /nfs/dbraw/zinc/34/81/05/388348105.db2.gz GNSVPAFPKUHNMN-UHFFFAOYSA-N 0 0 228.339 3.717 20 0 BHADRN CC1CCC(CC(=O)N(C)CC(C)(C)C)CC1 ZINC000524187226 259663998 /nfs/dbraw/zinc/66/39/98/259663998.db2.gz QASDPCDXEZGRRV-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](C)C(C)(C)C)c1C ZINC000524187270 388349755 /nfs/dbraw/zinc/34/97/55/388349755.db2.gz RLQNLJISQPTFMI-GFCCVEGCSA-N 0 0 233.355 3.924 20 0 BHADRN Cc1cccc(NC(=O)[C@H](C)C(C)(C)C)c1C ZINC000524187271 388349371 /nfs/dbraw/zinc/34/93/71/388349371.db2.gz RLQNLJISQPTFMI-LBPRGKRZSA-N 0 0 233.355 3.924 20 0 BHADRN CCC(C)(CC)NC(=O)CC1CCC(C)CC1 ZINC000524187363 388349174 /nfs/dbraw/zinc/34/91/74/388349174.db2.gz VQGNFRWIYZQBOA-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(C)C(=O)Nc1ccc2ccccc2n1 ZINC000524202560 388350718 /nfs/dbraw/zinc/35/07/18/388350718.db2.gz CBFLHSLADHNNEY-UHFFFAOYSA-N 0 0 242.322 3.610 20 0 BHADRN CCC(C)(C)C(=O)NCCCC1CCCCC1 ZINC000524202742 388351100 /nfs/dbraw/zinc/35/11/00/388351100.db2.gz GNLKMJROHZPXAX-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC1CCC(CNC(=O)C(C)(C)CC)CC1 ZINC000524202749 259664783 /nfs/dbraw/zinc/66/47/83/259664783.db2.gz HBLFILSKLVFXTE-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N(C)CCCC ZINC000524209668 388350775 /nfs/dbraw/zinc/35/07/75/388350775.db2.gz JYUMICRZWYOQQO-CYBMUJFWSA-N 0 0 227.392 3.851 20 0 BHADRN CCCC[C@H](CC)CC(=O)N(C)CCCC ZINC000524209669 388350669 /nfs/dbraw/zinc/35/06/69/388350669.db2.gz JYUMICRZWYOQQO-ZDUSSCGKSA-N 0 0 227.392 3.851 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N(C)C1CCCC1 ZINC000524210500 388351127 /nfs/dbraw/zinc/35/11/27/388351127.db2.gz FSIRTJZRUQLOGT-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@H](CC)CC(=O)N(C)C1CCCC1 ZINC000524210501 259664780 /nfs/dbraw/zinc/66/47/80/259664780.db2.gz FSIRTJZRUQLOGT-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N(C)[C@H](C)CC ZINC000524213577 388351044 /nfs/dbraw/zinc/35/10/44/388351044.db2.gz WWWORFXQUAGWPK-CHWSQXEVSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@H](CC)CC(=O)N(C)[C@H](C)CC ZINC000524213578 388351080 /nfs/dbraw/zinc/35/10/80/388351080.db2.gz WWWORFXQUAGWPK-OLZOCXBDSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N(C)[C@@H](C)CC ZINC000524213579 388350576 /nfs/dbraw/zinc/35/05/76/388350576.db2.gz WWWORFXQUAGWPK-QWHCGFSZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@H](CC)CC(=O)N(C)[C@@H](C)CC ZINC000524213580 388350977 /nfs/dbraw/zinc/35/09/77/388350977.db2.gz WWWORFXQUAGWPK-STQMWFEESA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N(C(C)C)C1CC1 ZINC000524214626 388350612 /nfs/dbraw/zinc/35/06/12/388350612.db2.gz WMNWVHWLLPCKEF-CYBMUJFWSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC[C@H](CC)CC(=O)N(C(C)C)C1CC1 ZINC000524214627 388350803 /nfs/dbraw/zinc/35/08/03/388350803.db2.gz WMNWVHWLLPCKEF-ZDUSSCGKSA-N 0 0 239.403 3.992 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N(CC)C1CC1 ZINC000524214634 388351113 /nfs/dbraw/zinc/35/11/13/388351113.db2.gz WXDLTWGHWJEFCU-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@H](CC)CC(=O)N(CC)C1CC1 ZINC000524214635 388350638 /nfs/dbraw/zinc/35/06/38/388350638.db2.gz WXDLTWGHWJEFCU-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CC(C)CCC(=O)Nc1cccc2c1ccn2C ZINC000524230438 388351878 /nfs/dbraw/zinc/35/18/78/388351878.db2.gz STSPBXXQGFJDAO-UHFFFAOYSA-N 0 0 244.338 3.553 20 0 BHADRN Clc1cccc(SCc2ccno2)c1 ZINC000524238535 388352196 /nfs/dbraw/zinc/35/21/96/388352196.db2.gz OFFRQSJKLWZVDI-UHFFFAOYSA-N 0 0 225.700 3.620 20 0 BHADRN c1cc(CSc2cccc3cccnc32)on1 ZINC000524239248 259666398 /nfs/dbraw/zinc/66/63/98/259666398.db2.gz RKRICKBOWSFCCD-UHFFFAOYSA-N 0 0 242.303 3.515 20 0 BHADRN Cc1cccc(C)c1CN(C)c1ccccc1 ZINC000524251558 388353270 /nfs/dbraw/zinc/35/32/70/388353270.db2.gz HIHRVKWAMGRWKE-UHFFFAOYSA-N 0 0 225.335 3.940 20 0 BHADRN CCC(C)(C)C(=O)Nc1cccc2c1CCCC2 ZINC000524271434 259667195 /nfs/dbraw/zinc/66/71/95/259667195.db2.gz KLPRQIDJQLQAEY-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN CCCCN(CC1CCCC1)CC(F)(F)F ZINC000524289090 259667356 /nfs/dbraw/zinc/66/73/56/259667356.db2.gz NRIDZSDXGYAYTI-UHFFFAOYSA-N 0 0 237.309 3.841 20 0 BHADRN c1nc(SCC2CCCC2)n2ccccc12 ZINC000524289666 388354078 /nfs/dbraw/zinc/35/40/78/388354078.db2.gz MPRYBYDVMMEFHA-UHFFFAOYSA-N 0 0 232.352 3.617 20 0 BHADRN CC(C)CCC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000524292141 388354566 /nfs/dbraw/zinc/35/45/66/388354566.db2.gz QSLCNPGWEJUJBU-AWEZNQCLSA-N 0 0 247.382 3.685 20 0 BHADRN CC(C)CCC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000524292142 259667175 /nfs/dbraw/zinc/66/71/75/259667175.db2.gz QSLCNPGWEJUJBU-CQSZACIVSA-N 0 0 247.382 3.685 20 0 BHADRN C[C@H](CN(C)C(=O)CC(C)(C)C)c1ccccc1 ZINC000524292669 388354267 /nfs/dbraw/zinc/35/42/67/388354267.db2.gz GMZHUHAZHUBCLH-CYBMUJFWSA-N 0 0 247.382 3.685 20 0 BHADRN C[C@@H](CN(C)C(=O)CC(C)(C)C)c1ccccc1 ZINC000524292670 259667173 /nfs/dbraw/zinc/66/71/73/259667173.db2.gz GMZHUHAZHUBCLH-ZDUSSCGKSA-N 0 0 247.382 3.685 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@H]1CCCC[C@H]1C ZINC000524301146 388355523 /nfs/dbraw/zinc/35/55/23/388355523.db2.gz VZJYJNAKGLQWFJ-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000524301147 388355726 /nfs/dbraw/zinc/35/57/26/388355726.db2.gz VZJYJNAKGLQWFJ-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000524301148 519084771 /nfs/dbraw/zinc/08/47/71/519084771.db2.gz VZJYJNAKGLQWFJ-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000524301149 388355072 /nfs/dbraw/zinc/35/50/72/388355072.db2.gz VZJYJNAKGLQWFJ-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](C)N(C)c1cccc(C(F)(F)F)n1 ZINC000524303119 259668107 /nfs/dbraw/zinc/66/81/07/259668107.db2.gz IEUZVAPJSJYUFT-SECBINFHSA-N 0 0 246.276 3.725 20 0 BHADRN CCC[C@H](C)N(C)c1cccc(C(F)(F)F)n1 ZINC000524303120 388354955 /nfs/dbraw/zinc/35/49/55/388354955.db2.gz IEUZVAPJSJYUFT-VIFPVBQESA-N 0 0 246.276 3.725 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)CC ZINC000524330888 388355168 /nfs/dbraw/zinc/35/51/68/388355168.db2.gz JUEOBEWMCBQSIS-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)CC ZINC000524330889 388355132 /nfs/dbraw/zinc/35/51/32/388355132.db2.gz JUEOBEWMCBQSIS-UPJWGTAASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)CC ZINC000524330890 259667718 /nfs/dbraw/zinc/66/77/18/259667718.db2.gz JUEOBEWMCBQSIS-XQQFMLRXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)CC ZINC000524330891 388355631 /nfs/dbraw/zinc/35/56/31/388355631.db2.gz JUEOBEWMCBQSIS-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)N(C(C)C)C1CCCC1 ZINC000524343072 388355555 /nfs/dbraw/zinc/35/55/55/388355555.db2.gz MSXCOWHWTCNBCW-UHFFFAOYSA-N 0 0 225.376 3.746 20 0 BHADRN CC(C)N(C(=O)CC1CCCC1)C1CCCC1 ZINC000524343142 388355302 /nfs/dbraw/zinc/35/53/02/388355302.db2.gz TUIVWRNIQJFXCY-UHFFFAOYSA-N 0 0 237.387 3.746 20 0 BHADRN CCCC(C)(C)NC(=O)Cc1cc(C)ccc1C ZINC000524377796 388356603 /nfs/dbraw/zinc/35/66/03/388356603.db2.gz SCUZHBLSZHWJAZ-UHFFFAOYSA-N 0 0 247.382 3.541 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1cccc2c1ccn2C ZINC000524390619 388357745 /nfs/dbraw/zinc/35/77/45/388357745.db2.gz XHERCADIGDCBHC-LLVKDONJSA-N 0 0 244.338 3.553 20 0 BHADRN CCC[C@H](C)C(=O)Nc1cccc2c1ccn2C ZINC000524390620 388357227 /nfs/dbraw/zinc/35/72/27/388357227.db2.gz XHERCADIGDCBHC-NSHDSACASA-N 0 0 244.338 3.553 20 0 BHADRN CCCC[C@@H](CC)C(=O)N(C)[C@H](C)C(C)C 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ISVASHTWQAPZLZ-GFCCVEGCSA-N 0 0 243.306 3.720 20 0 BHADRN Cc1ccccc1NC(=O)C[C@H](C)c1ccco1 ZINC000527637159 262867922 /nfs/dbraw/zinc/86/79/22/262867922.db2.gz ISVASHTWQAPZLZ-LBPRGKRZSA-N 0 0 243.306 3.720 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCCC23CC3)c1 ZINC000527637589 387646784 /nfs/dbraw/zinc/64/67/84/387646784.db2.gz MNGSSUBVSBISTE-CYBMUJFWSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCCC23CC3)c1 ZINC000527637591 262868214 /nfs/dbraw/zinc/86/82/14/262868214.db2.gz MNGSSUBVSBISTE-ZDUSSCGKSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1ccccc1NC(=O)[C@H]1CCCC12CC2 ZINC000527637609 387647090 /nfs/dbraw/zinc/64/70/90/387647090.db2.gz MRDLNUGWFNEUBA-GFCCVEGCSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H]1CCCC12CC2 ZINC000527637611 387646394 /nfs/dbraw/zinc/64/63/94/387646394.db2.gz MRDLNUGWFNEUBA-LBPRGKRZSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1cccc(NC(=O)C[C@@H](C)c2ccco2)c1 ZINC000527637833 387646432 /nfs/dbraw/zinc/64/64/32/387646432.db2.gz PACDQNRUVVPDBY-GFCCVEGCSA-N 0 0 243.306 3.720 20 0 BHADRN Cc1cccc(NC(=O)C[C@H](C)c2ccco2)c1 ZINC000527637834 387647569 /nfs/dbraw/zinc/64/75/69/387647569.db2.gz PACDQNRUVVPDBY-LBPRGKRZSA-N 0 0 243.306 3.720 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCCC23CC3)c1C ZINC000527637847 262868103 /nfs/dbraw/zinc/86/81/03/262868103.db2.gz PIZWWAMSOGFHNW-CYBMUJFWSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCCC23CC3)c1C ZINC000527637848 262867957 /nfs/dbraw/zinc/86/79/57/262867957.db2.gz PIZWWAMSOGFHNW-ZDUSSCGKSA-N 0 0 243.350 3.822 20 0 BHADRN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCC12CC2 ZINC000527638377 387648213 /nfs/dbraw/zinc/64/82/13/387648213.db2.gz JEKVJHNKLPANBK-GFCCVEGCSA-N 0 0 249.741 3.859 20 0 BHADRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCC12CC2 ZINC000527638378 387648688 /nfs/dbraw/zinc/64/86/88/387648688.db2.gz JEKVJHNKLPANBK-LBPRGKRZSA-N 0 0 249.741 3.859 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)c1C ZINC000527638443 387648218 /nfs/dbraw/zinc/64/82/18/387648218.db2.gz VVYSUKWXJXVWFH-BYCMXARLSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c1C ZINC000527638444 387648459 /nfs/dbraw/zinc/64/84/59/387648459.db2.gz VVYSUKWXJXVWFH-KCPJHIHWSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)c1C ZINC000527638445 387648192 /nfs/dbraw/zinc/64/81/92/387648192.db2.gz VVYSUKWXJXVWFH-NILFDRSVSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)c1C ZINC000527638446 387647982 /nfs/dbraw/zinc/64/79/82/387647982.db2.gz VVYSUKWXJXVWFH-TUKIKUTGSA-N 0 0 243.350 3.534 20 0 BHADRN C[C@H](Nc1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527638942 387648944 /nfs/dbraw/zinc/64/89/44/387648944.db2.gz ABPOHNOZWXWMRU-BPNCWPANSA-N 0 0 201.313 3.533 20 0 BHADRN C[C@@H](Nc1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527638943 262868486 /nfs/dbraw/zinc/86/84/86/262868486.db2.gz ABPOHNOZWXWMRU-SWHYSGLUSA-N 0 0 201.313 3.533 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCCC23CC3)cc1C ZINC000527639108 387648713 /nfs/dbraw/zinc/64/87/13/387648713.db2.gz BPHXAYXNSICLMP-AWEZNQCLSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCCC23CC3)cc1C ZINC000527639109 387648119 /nfs/dbraw/zinc/64/81/19/387648119.db2.gz BPHXAYXNSICLMP-CQSZACIVSA-N 0 0 243.350 3.822 20 0 BHADRN O=C(Nc1ccccc1Cl)[C@@H]1CCCC12CC2 ZINC000527639114 387648327 /nfs/dbraw/zinc/64/83/27/387648327.db2.gz CBFZSSZYOOKSQW-JTQLQIEISA-N 0 0 249.741 3.859 20 0 BHADRN O=C(Nc1ccccc1Cl)[C@H]1CCCC12CC2 ZINC000527639115 387648011 /nfs/dbraw/zinc/64/80/11/387648011.db2.gz CBFZSSZYOOKSQW-SNVBAGLBSA-N 0 0 249.741 3.859 20 0 BHADRN COc1cccc(N[C@@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000527639222 387648683 /nfs/dbraw/zinc/64/86/83/387648683.db2.gz GTLNFXZWVAIGBF-LKTVYLICSA-N 0 0 231.339 3.542 20 0 BHADRN COc1cccc(N[C@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000527639223 387648093 /nfs/dbraw/zinc/64/80/93/387648093.db2.gz GTLNFXZWVAIGBF-ONERCXAPSA-N 0 0 231.339 3.542 20 0 BHADRN Cc1cc(CNc2ccc(C)c(C)c2)ccn1 ZINC000527639270 387648599 /nfs/dbraw/zinc/64/85/99/387648599.db2.gz HTEAQXPRKUHSHX-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN CCC(F)(F)C(C)(C)CNc1ccccn1 ZINC000527639721 387648655 /nfs/dbraw/zinc/64/86/55/387648655.db2.gz LIOYQYIHRUOGCH-UHFFFAOYSA-N 0 0 228.286 3.565 20 0 BHADRN Cc1ccc(NCc2ccnc(C)c2)c(C)c1 ZINC000527639878 262868412 /nfs/dbraw/zinc/86/84/12/262868412.db2.gz NEDUIGDWKVMPHC-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)c(C)c1 ZINC000527640038 387648353 /nfs/dbraw/zinc/64/83/53/387648353.db2.gz IVULIOHDEMYLLC-BYCMXARLSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c(C)c1 ZINC000527640039 387648370 /nfs/dbraw/zinc/64/83/70/387648370.db2.gz IVULIOHDEMYLLC-KCPJHIHWSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)c(C)c1 ZINC000527640040 387648087 /nfs/dbraw/zinc/64/80/87/387648087.db2.gz IVULIOHDEMYLLC-NILFDRSVSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)c(C)c1 ZINC000527640041 387648927 /nfs/dbraw/zinc/64/89/27/387648927.db2.gz IVULIOHDEMYLLC-TUKIKUTGSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCCC23CC3)c(C)c1 ZINC000527640365 387650545 /nfs/dbraw/zinc/65/05/45/387650545.db2.gz KZXGGKGATYQFHK-CYBMUJFWSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCCC23CC3)c(C)c1 ZINC000527640367 387649928 /nfs/dbraw/zinc/64/99/28/387649928.db2.gz KZXGGKGATYQFHK-ZDUSSCGKSA-N 0 0 243.350 3.822 20 0 BHADRN C[C@@H]1[C@@H](C(=O)Nc2ccccc2Cl)[C@@H]1C1CC1 ZINC000527640584 387649715 /nfs/dbraw/zinc/64/97/15/387649715.db2.gz NCMAQTGZLPVNQF-AQUOVQTQSA-N 0 0 249.741 3.571 20 0 BHADRN C[C@@H]1[C@H](C(=O)Nc2ccccc2Cl)[C@H]1C1CC1 ZINC000527640589 387650673 /nfs/dbraw/zinc/65/06/73/387650673.db2.gz NCMAQTGZLPVNQF-CKLFPEKLSA-N 0 0 249.741 3.571 20 0 BHADRN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1ccccc1Cl ZINC000527640591 262868989 /nfs/dbraw/zinc/86/89/89/262868989.db2.gz NCMAQTGZLPVNQF-HJIKLVIJSA-N 0 0 249.741 3.571 20 0 BHADRN C[C@@H]1[C@@H](C(=O)Nc2ccccc2Cl)[C@H]1C1CC1 ZINC000527640593 262868934 /nfs/dbraw/zinc/86/89/34/262868934.db2.gz NCMAQTGZLPVNQF-ZEGGKSINSA-N 0 0 249.741 3.571 20 0 BHADRN CCC(F)(F)C(C)(C)CNc1ccc(C)cn1 ZINC000527640701 387650708 /nfs/dbraw/zinc/65/07/08/387650708.db2.gz XOSPOYWBIFGQRK-UHFFFAOYSA-N 0 0 242.313 3.873 20 0 BHADRN COc1ccccc1N[C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527640733 387649514 /nfs/dbraw/zinc/64/95/14/387649514.db2.gz YUQKBQSCQXMIIR-DRZSPHRISA-N 0 0 231.339 3.542 20 0 BHADRN COc1ccccc1N[C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527640735 387649826 /nfs/dbraw/zinc/64/98/26/387649826.db2.gz YUQKBQSCQXMIIR-WXHSDQCUSA-N 0 0 231.339 3.542 20 0 BHADRN CCC(F)(F)C(C)(C)CNc1ncccc1C ZINC000527640805 387650009 /nfs/dbraw/zinc/65/00/09/387650009.db2.gz ZXHAIIZRYXFDNB-UHFFFAOYSA-N 0 0 242.313 3.873 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H](C)c2ccco2)cc1 ZINC000527641063 387649733 /nfs/dbraw/zinc/64/97/33/387649733.db2.gz QILFMKNRYMLWRC-GFCCVEGCSA-N 0 0 243.306 3.720 20 0 BHADRN Cc1ccc(NC(=O)C[C@H](C)c2ccco2)cc1 ZINC000527641064 387650809 /nfs/dbraw/zinc/65/08/09/387650809.db2.gz QILFMKNRYMLWRC-LBPRGKRZSA-N 0 0 243.306 3.720 20 0 BHADRN O=C(Nc1cccc(Cl)c1)[C@H]1CCCC12CC2 ZINC000527641229 387650375 /nfs/dbraw/zinc/65/03/75/387650375.db2.gz RMYIPWDAJVBWIN-GFCCVEGCSA-N 0 0 249.741 3.859 20 0 BHADRN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCC12CC2 ZINC000527641230 387650781 /nfs/dbraw/zinc/65/07/81/387650781.db2.gz RMYIPWDAJVBWIN-LBPRGKRZSA-N 0 0 249.741 3.859 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCCC23CC3)cc1 ZINC000527641742 387650760 /nfs/dbraw/zinc/65/07/60/387650760.db2.gz YGSMOOPSJOCUDS-CYBMUJFWSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCCC23CC3)cc1 ZINC000527641744 387649599 /nfs/dbraw/zinc/64/95/99/387649599.db2.gz YGSMOOPSJOCUDS-ZDUSSCGKSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1cocc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000527643221 387651347 /nfs/dbraw/zinc/65/13/47/387651347.db2.gz NZUMSYKYJSIZJL-UHFFFAOYSA-N 0 0 243.306 3.964 20 0 BHADRN COCc1cccc(N[C@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000527645122 387652430 /nfs/dbraw/zinc/65/24/30/387652430.db2.gz UWBGNGNKFMPIKI-RLCCDNCMSA-N 0 0 245.366 3.680 20 0 BHADRN COCc1cccc(N[C@@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000527645127 387652067 /nfs/dbraw/zinc/65/20/67/387652067.db2.gz UWBGNGNKFMPIKI-UVBJJODRSA-N 0 0 245.366 3.680 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H]2CCCC23CC3)c1 ZINC000527647058 387652269 /nfs/dbraw/zinc/65/22/69/387652269.db2.gz SXGHUECNSNRUSW-AWEZNQCLSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@H]2CCCC23CC3)c1 ZINC000527647059 387651809 /nfs/dbraw/zinc/65/18/09/387651809.db2.gz SXGHUECNSNRUSW-CQSZACIVSA-N 0 0 243.350 3.822 20 0 BHADRN C[C@H](CC(=O)NC1CCCCCC1)c1ccco1 ZINC000527647537 387654507 /nfs/dbraw/zinc/65/45/07/387654507.db2.gz KLZXIHDRVBEQGR-GFCCVEGCSA-N 0 0 249.354 3.612 20 0 BHADRN C[C@@H](CC(=O)NC1CCCCCC1)c1ccco1 ZINC000527647538 262869778 /nfs/dbraw/zinc/86/97/78/262869778.db2.gz KLZXIHDRVBEQGR-LBPRGKRZSA-N 0 0 249.354 3.612 20 0 BHADRN O=C(NC1CCCCCCC1)[C@@H]1CCCC12CC2 ZINC000527647912 387644898 /nfs/dbraw/zinc/64/48/98/387644898.db2.gz ASEXPICPXZCJAL-AWEZNQCLSA-N 0 0 249.398 3.796 20 0 BHADRN O=C(NC1CCCCCCC1)[C@H]1CCCC12CC2 ZINC000527647916 387647577 /nfs/dbraw/zinc/64/75/77/387647577.db2.gz ASEXPICPXZCJAL-CQSZACIVSA-N 0 0 249.398 3.796 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@H]1CCCC12CC2 ZINC000527649526 387659984 /nfs/dbraw/zinc/65/99/84/387659984.db2.gz QRELIBHVBXQIGA-GFCCVEGCSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@@H]1CCCC12CC2 ZINC000527649530 262872123 /nfs/dbraw/zinc/87/21/23/262872123.db2.gz QRELIBHVBXQIGA-LBPRGKRZSA-N 0 0 247.313 3.653 20 0 BHADRN CCc1ccc(NC(=O)[C@@H]2CCCC23CC3)cc1 ZINC000527649604 387660495 /nfs/dbraw/zinc/66/04/95/387660495.db2.gz RVNKQAVOCFVBGP-AWEZNQCLSA-N 0 0 243.350 3.768 20 0 BHADRN CCc1ccc(NC(=O)[C@H]2CCCC23CC3)cc1 ZINC000527649608 262871789 /nfs/dbraw/zinc/87/17/89/262871789.db2.gz RVNKQAVOCFVBGP-CQSZACIVSA-N 0 0 243.350 3.768 20 0 BHADRN CCC(CC)NC(=O)C1(C)CCC(F)(F)CC1 ZINC000527649953 387660065 /nfs/dbraw/zinc/66/00/65/387660065.db2.gz RPIQPAVXFAEZAD-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCCC23CC3)cc1F 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CCc1cccc(NC(=O)[C@@H]2CCCC23CC3)c1 ZINC000527652801 262872288 /nfs/dbraw/zinc/87/22/88/262872288.db2.gz PCADHOPFOLCRKV-AWEZNQCLSA-N 0 0 243.350 3.768 20 0 BHADRN CCc1cccc(NC(=O)[C@H]2CCCC23CC3)c1 ZINC000527652803 387662328 /nfs/dbraw/zinc/66/23/28/387662328.db2.gz PCADHOPFOLCRKV-CQSZACIVSA-N 0 0 243.350 3.768 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H]1CCCC12CC2 ZINC000527660657 387664646 /nfs/dbraw/zinc/66/46/46/387664646.db2.gz GLNIJLCJHWFCBR-GFCCVEGCSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCC12CC2 ZINC000527660659 262872899 /nfs/dbraw/zinc/87/28/99/262872899.db2.gz GLNIJLCJHWFCBR-LBPRGKRZSA-N 0 0 247.313 3.653 20 0 BHADRN CCC(F)(F)C(C)(C)CNc1cccnc1 ZINC000527671603 262870266 /nfs/dbraw/zinc/87/02/66/262870266.db2.gz VSSDFXSUVWHAMP-UHFFFAOYSA-N 0 0 228.286 3.565 20 0 BHADRN CCC(F)(F)C(C)(C)CNc1ccc(C)nc1 ZINC000527675395 387655978 /nfs/dbraw/zinc/65/59/78/387655978.db2.gz MKJKCSSELHKJMR-UHFFFAOYSA-N 0 0 242.313 3.873 20 0 BHADRN C[C@H](Nc1ccccc1N(C)C)[C@@H]1C[C@H]1C1CC1 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LMBSHRPXJHRHLN-RDBSUJKOSA-N 0 0 249.398 3.604 20 0 BHADRN CCC1CCC(N(C)C(=O)c2cocc2C)CC1 ZINC000527873880 387765253 /nfs/dbraw/zinc/76/52/53/387765253.db2.gz SBBRSTPDQGNHDT-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1ccccc1N[C@H](C)[C@@H]1CC12CC2 ZINC000527877019 262889159 /nfs/dbraw/zinc/88/91/59/262889159.db2.gz RRRUPFHIVUAFMC-NEPJUHHUSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccccc1N[C@@H](C)[C@H]1CC12CC2 ZINC000527877020 387767864 /nfs/dbraw/zinc/76/78/64/387767864.db2.gz RRRUPFHIVUAFMC-NWDGAFQWSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccccc1N[C@@H](C)[C@@H]1CC12CC2 ZINC000527877021 387767889 /nfs/dbraw/zinc/76/78/89/387767889.db2.gz RRRUPFHIVUAFMC-RYUDHWBXSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccccc1N[C@H](C)[C@H]1CC12CC2 ZINC000527877022 387768003 /nfs/dbraw/zinc/76/80/03/387768003.db2.gz RRRUPFHIVUAFMC-VXGBXAGGSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@H]2CC23CC3)cc1 ZINC000527877054 387767239 /nfs/dbraw/zinc/76/72/39/387767239.db2.gz SOFJUXRTZASVLH-AAEUAGOBSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccc(N[C@H](C)[C@H]2CC23CC3)cc1 ZINC000527877055 387767432 /nfs/dbraw/zinc/76/74/32/387767432.db2.gz SOFJUXRTZASVLH-DGCLKSJQSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@H]2CC23CC3)cc1 ZINC000527877056 387767081 /nfs/dbraw/zinc/76/70/81/387767081.db2.gz SOFJUXRTZASVLH-WCQYABFASA-N 0 0 201.313 3.596 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@H]2CC23CC3)cc1 ZINC000527877057 387767594 /nfs/dbraw/zinc/76/75/94/387767594.db2.gz SOFJUXRTZASVLH-YPMHNXCESA-N 0 0 201.313 3.596 20 0 BHADRN Cc1cccc(N[C@@H](C)[C@@H]2CC23CC3)c1 ZINC000527877313 262889890 /nfs/dbraw/zinc/88/98/90/262889890.db2.gz UOKPILCQLVWFCZ-AAEUAGOBSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1cccc(N[C@H](C)[C@H]2CC23CC3)c1 ZINC000527877315 387767935 /nfs/dbraw/zinc/76/79/35/387767935.db2.gz UOKPILCQLVWFCZ-DGCLKSJQSA-N 0 0 201.313 3.596 20 0 BHADRN Cc1cccc(N[C@@H](C)[C@H]2CC23CC3)c1 ZINC000527877317 387767042 /nfs/dbraw/zinc/76/70/42/387767042.db2.gz UOKPILCQLVWFCZ-WCQYABFASA-N 0 0 201.313 3.596 20 0 BHADRN Cc1cccc(N[C@H](C)[C@@H]2CC23CC3)c1 ZINC000527877318 387767325 /nfs/dbraw/zinc/76/73/25/387767325.db2.gz UOKPILCQLVWFCZ-YPMHNXCESA-N 0 0 201.313 3.596 20 0 BHADRN COc1ccc(C)cc1N[C@H](C)[C@@H]1CC12CC2 ZINC000527879410 387770007 /nfs/dbraw/zinc/77/00/07/387770007.db2.gz CPOUQSQAHMTHRH-NEPJUHHUSA-N 0 0 231.339 3.604 20 0 BHADRN COc1ccc(C)cc1N[C@@H](C)[C@H]1CC12CC2 ZINC000527879413 262889815 /nfs/dbraw/zinc/88/98/15/262889815.db2.gz CPOUQSQAHMTHRH-NWDGAFQWSA-N 0 0 231.339 3.604 20 0 BHADRN COc1ccc(C)cc1N[C@@H](C)[C@@H]1CC12CC2 ZINC000527879415 387770276 /nfs/dbraw/zinc/77/02/76/387770276.db2.gz CPOUQSQAHMTHRH-RYUDHWBXSA-N 0 0 231.339 3.604 20 0 BHADRN COc1ccc(C)cc1N[C@H](C)[C@H]1CC12CC2 ZINC000527879416 387769365 /nfs/dbraw/zinc/76/93/65/387769365.db2.gz CPOUQSQAHMTHRH-VXGBXAGGSA-N 0 0 231.339 3.604 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H](C)[C@@H]2CC23CC3)c1 ZINC000527879526 387770206 /nfs/dbraw/zinc/77/02/06/387770206.db2.gz ITXZWSBTBIHCLV-JMSVASOKSA-N 0 0 245.366 3.995 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H](C)[C@H]2CC23CC3)c1 ZINC000527879527 387769767 /nfs/dbraw/zinc/76/97/67/387769767.db2.gz ITXZWSBTBIHCLV-LALPHHSUSA-N 0 0 245.366 3.995 20 0 BHADRN CO[C@H](C)c1cccc(N[C@@H](C)[C@H]2CC23CC3)c1 ZINC000527879529 262890137 /nfs/dbraw/zinc/89/01/37/262890137.db2.gz ITXZWSBTBIHCLV-YWPYICTPSA-N 0 0 245.366 3.995 20 0 BHADRN CO[C@H](C)c1cccc(N[C@@H](C)[C@@H]2CC23CC3)c1 ZINC000527879531 262890239 /nfs/dbraw/zinc/89/02/39/262890239.db2.gz ITXZWSBTBIHCLV-ZOWXZIJZSA-N 0 0 245.366 3.995 20 0 BHADRN CCOc1cccc(N[C@H](C)[C@H]2CC23CC3)c1 ZINC000527879743 387770182 /nfs/dbraw/zinc/77/01/82/387770182.db2.gz HTBKHKNESUZKFQ-BXUZGUMPSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1cccc(N[C@@H](C)[C@@H]2CC23CC3)c1 ZINC000527879746 387769356 /nfs/dbraw/zinc/76/93/56/387769356.db2.gz HTBKHKNESUZKFQ-FZMZJTMJSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1cccc(N[C@H](C)[C@@H]2CC23CC3)c1 ZINC000527879749 387768939 /nfs/dbraw/zinc/76/89/39/387768939.db2.gz HTBKHKNESUZKFQ-RISCZKNCSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1cccc(N[C@@H](C)[C@H]2CC23CC3)c1 ZINC000527879752 387770047 /nfs/dbraw/zinc/77/00/47/387770047.db2.gz HTBKHKNESUZKFQ-SMDDNHRTSA-N 0 0 231.339 3.686 20 0 BHADRN CCN(C(=O)[C@@H]1CCCC12CC2)c1ccccc1 ZINC000527881146 262890160 /nfs/dbraw/zinc/89/01/60/262890160.db2.gz JIFUEOFLVSMHMO-AWEZNQCLSA-N 0 0 243.350 3.620 20 0 BHADRN CCN(C(=O)[C@H]1CCCC12CC2)c1ccccc1 ZINC000527881147 262890235 /nfs/dbraw/zinc/89/02/35/262890235.db2.gz JIFUEOFLVSMHMO-CQSZACIVSA-N 0 0 243.350 3.620 20 0 BHADRN C[C@@H](Nc1cccc2ccncc21)[C@H]1CC12CC2 ZINC000527881736 387771283 /nfs/dbraw/zinc/77/12/83/387771283.db2.gz IKPKFVALQPJKPN-BXUZGUMPSA-N 0 0 238.334 3.835 20 0 BHADRN C[C@H](Nc1cccc2ccncc21)[C@@H]1CC12CC2 ZINC000527881737 387771225 /nfs/dbraw/zinc/77/12/25/387771225.db2.gz IKPKFVALQPJKPN-FZMZJTMJSA-N 0 0 238.334 3.835 20 0 BHADRN C[C@@H](Nc1cccc2ccncc21)[C@@H]1CC12CC2 ZINC000527881738 262890149 /nfs/dbraw/zinc/89/01/49/262890149.db2.gz IKPKFVALQPJKPN-RISCZKNCSA-N 0 0 238.334 3.835 20 0 BHADRN C[C@H](Nc1cccc2ccncc21)[C@H]1CC12CC2 ZINC000527881739 387771584 /nfs/dbraw/zinc/77/15/84/387771584.db2.gz IKPKFVALQPJKPN-SMDDNHRTSA-N 0 0 238.334 3.835 20 0 BHADRN C[C@@H](Nc1ccc(F)c(F)c1)[C@H]1CC12CC2 ZINC000527883714 387770979 /nfs/dbraw/zinc/77/09/79/387770979.db2.gz SNYBXSYPANIZHE-PSASIEDQSA-N 0 0 223.266 3.565 20 0 BHADRN C[C@@H](Nc1ccc(F)c(F)c1)[C@@H]1CC12CC2 ZINC000527883717 387770973 /nfs/dbraw/zinc/77/09/73/387770973.db2.gz SNYBXSYPANIZHE-SCZZXKLOSA-N 0 0 223.266 3.565 20 0 BHADRN C[C@H](Nc1ccc(F)c(F)c1)[C@H]1CC12CC2 ZINC000527883722 387770899 /nfs/dbraw/zinc/77/08/99/387770899.db2.gz SNYBXSYPANIZHE-WCBMZHEXSA-N 0 0 223.266 3.565 20 0 BHADRN C[C@H](Nc1ccc(F)c(F)c1)[C@@H]1CC12CC2 ZINC000527883727 387771069 /nfs/dbraw/zinc/77/10/69/387771069.db2.gz SNYBXSYPANIZHE-WPRPVWTQSA-N 0 0 223.266 3.565 20 0 BHADRN CCN(C(=O)c1cocc1C)c1ccc(C)cc1 ZINC000527884234 387770904 /nfs/dbraw/zinc/77/09/04/387770904.db2.gz XTFJYZKNJBVISV-UHFFFAOYSA-N 0 0 243.306 3.563 20 0 BHADRN CCN(C(=O)c1cocc1C)c1cccc(C)c1 ZINC000527885521 387771794 /nfs/dbraw/zinc/77/17/94/387771794.db2.gz UCTILJJAOZXRED-UHFFFAOYSA-N 0 0 243.306 3.563 20 0 BHADRN Cc1cscc1N[C@H](C)[C@H]1CC12CC2 ZINC000527885734 387772818 /nfs/dbraw/zinc/77/28/18/387772818.db2.gz YDVIXEIJSPZVRW-NXEZZACHSA-N 0 0 207.342 3.657 20 0 BHADRN Cc1cscc1N[C@@H](C)[C@@H]1CC12CC2 ZINC000527885735 387772869 /nfs/dbraw/zinc/77/28/69/387772869.db2.gz YDVIXEIJSPZVRW-UWVGGRQHSA-N 0 0 207.342 3.657 20 0 BHADRN Cc1cscc1N[C@@H](C)[C@H]1CC12CC2 ZINC000527885736 387772179 /nfs/dbraw/zinc/77/21/79/387772179.db2.gz YDVIXEIJSPZVRW-VHSXEESVSA-N 0 0 207.342 3.657 20 0 BHADRN Cc1cscc1N[C@H](C)[C@@H]1CC12CC2 ZINC000527885737 387772677 /nfs/dbraw/zinc/77/26/77/387772677.db2.gz YDVIXEIJSPZVRW-ZJUUUORDSA-N 0 0 207.342 3.657 20 0 BHADRN CCOc1ccccc1N[C@H](C)[C@@H]1CC12CC2 ZINC000527886317 387772321 /nfs/dbraw/zinc/77/23/21/387772321.db2.gz LGFWYBIFFZTJIC-NEPJUHHUSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1ccccc1N[C@@H](C)[C@H]1CC12CC2 ZINC000527886318 387772459 /nfs/dbraw/zinc/77/24/59/387772459.db2.gz LGFWYBIFFZTJIC-NWDGAFQWSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1ccccc1N[C@@H](C)[C@@H]1CC12CC2 ZINC000527886319 387772662 /nfs/dbraw/zinc/77/26/62/387772662.db2.gz LGFWYBIFFZTJIC-RYUDHWBXSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1ccccc1N[C@H](C)[C@H]1CC12CC2 ZINC000527886320 387772248 /nfs/dbraw/zinc/77/22/48/387772248.db2.gz LGFWYBIFFZTJIC-VXGBXAGGSA-N 0 0 231.339 3.686 20 0 BHADRN CCCCn1ncc(N[C@@H](C)[C@@H]2CC23CC3)c1C ZINC000527886818 387772482 /nfs/dbraw/zinc/77/24/82/387772482.db2.gz YRARIVDTFUUAEY-AAEUAGOBSA-N 0 0 247.386 3.592 20 0 BHADRN CCCCn1ncc(N[C@H](C)[C@H]2CC23CC3)c1C ZINC000527886820 387772533 /nfs/dbraw/zinc/77/25/33/387772533.db2.gz YRARIVDTFUUAEY-DGCLKSJQSA-N 0 0 247.386 3.592 20 0 BHADRN CCCCn1ncc(N[C@@H](C)[C@H]2CC23CC3)c1C ZINC000527886822 387772668 /nfs/dbraw/zinc/77/26/68/387772668.db2.gz YRARIVDTFUUAEY-WCQYABFASA-N 0 0 247.386 3.592 20 0 BHADRN CCCCn1ncc(N[C@H](C)[C@@H]2CC23CC3)c1C ZINC000527886824 387773220 /nfs/dbraw/zinc/77/32/20/387773220.db2.gz YRARIVDTFUUAEY-YPMHNXCESA-N 0 0 247.386 3.592 20 0 BHADRN CCOCc1cccc(N[C@H](C)[C@@H]2CC23CC3)c1 ZINC000527887760 387772786 /nfs/dbraw/zinc/77/27/86/387772786.db2.gz OADJUPIFOAPFBS-DOMZBBRYSA-N 0 0 245.366 3.824 20 0 BHADRN CCOCc1cccc(N[C@H](C)[C@H]2CC23CC3)c1 ZINC000527887762 387772356 /nfs/dbraw/zinc/77/23/56/387772356.db2.gz OADJUPIFOAPFBS-IUODEOHRSA-N 0 0 245.366 3.824 20 0 BHADRN CCOCc1cccc(N[C@@H](C)[C@H]2CC23CC3)c1 ZINC000527887764 387773269 /nfs/dbraw/zinc/77/32/69/387773269.db2.gz OADJUPIFOAPFBS-SWLSCSKDSA-N 0 0 245.366 3.824 20 0 BHADRN CCOCc1cccc(N[C@@H](C)[C@@H]2CC23CC3)c1 ZINC000527887766 262890824 /nfs/dbraw/zinc/89/08/24/262890824.db2.gz OADJUPIFOAPFBS-WFASDCNBSA-N 0 0 245.366 3.824 20 0 BHADRN C[C@H](Nc1cccc2c1OCCC2)[C@@H]1CC12CC2 ZINC000527888550 262891014 /nfs/dbraw/zinc/89/10/14/262891014.db2.gz RLIAYFLVEQKSPS-AAEUAGOBSA-N 0 0 243.350 3.612 20 0 BHADRN C[C@@H](Nc1cccc2c1OCCC2)[C@H]1CC12CC2 ZINC000527888551 387772704 /nfs/dbraw/zinc/77/27/04/387772704.db2.gz RLIAYFLVEQKSPS-DGCLKSJQSA-N 0 0 243.350 3.612 20 0 BHADRN C[C@H](Nc1cccc2c1OCCC2)[C@H]1CC12CC2 ZINC000527888552 387772463 /nfs/dbraw/zinc/77/24/63/387772463.db2.gz RLIAYFLVEQKSPS-WCQYABFASA-N 0 0 243.350 3.612 20 0 BHADRN C[C@@H](Nc1cccc2c1OCCC2)[C@@H]1CC12CC2 ZINC000527888553 387772384 /nfs/dbraw/zinc/77/23/84/387772384.db2.gz RLIAYFLVEQKSPS-YPMHNXCESA-N 0 0 243.350 3.612 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H](C)[C@H]2CC23CC3)c1C ZINC000527891556 387774928 /nfs/dbraw/zinc/77/49/28/387774928.db2.gz GMAKDJWJJUNVFB-DMDPSCGWSA-N 0 0 247.386 3.763 20 0 BHADRN CC[C@H](C)n1ncc(N[C@@H](C)[C@H]2CC23CC3)c1C ZINC000527891558 387774164 /nfs/dbraw/zinc/77/41/64/387774164.db2.gz GMAKDJWJJUNVFB-GMXVVIOVSA-N 0 0 247.386 3.763 20 0 BHADRN CC[C@H](C)n1ncc(N[C@@H](C)[C@@H]2CC23CC3)c1C ZINC000527891560 387774762 /nfs/dbraw/zinc/77/47/62/387774762.db2.gz GMAKDJWJJUNVFB-GVXVVHGQSA-N 0 0 247.386 3.763 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H](C)[C@@H]2CC23CC3)c1C ZINC000527891562 262891868 /nfs/dbraw/zinc/89/18/68/262891868.db2.gz GMAKDJWJJUNVFB-LOWVWBTDSA-N 0 0 247.386 3.763 20 0 BHADRN C[C@@H](Nc1ccc2ccn(C)c2c1)[C@H]1CC12CC2 ZINC000527891902 387776585 /nfs/dbraw/zinc/77/65/85/387776585.db2.gz HMQDDIAYQHZMQC-BXUZGUMPSA-N 0 0 240.350 3.779 20 0 BHADRN C[C@H](Nc1ccc2ccn(C)c2c1)[C@@H]1CC12CC2 ZINC000527891904 387776618 /nfs/dbraw/zinc/77/66/18/387776618.db2.gz HMQDDIAYQHZMQC-FZMZJTMJSA-N 0 0 240.350 3.779 20 0 BHADRN C[C@@H](Nc1ccc2ccn(C)c2c1)[C@@H]1CC12CC2 ZINC000527891906 387776413 /nfs/dbraw/zinc/77/64/13/387776413.db2.gz HMQDDIAYQHZMQC-RISCZKNCSA-N 0 0 240.350 3.779 20 0 BHADRN C[C@H](Nc1ccc2ccn(C)c2c1)[C@H]1CC12CC2 ZINC000527891907 387776908 /nfs/dbraw/zinc/77/69/08/387776908.db2.gz HMQDDIAYQHZMQC-SMDDNHRTSA-N 0 0 240.350 3.779 20 0 BHADRN C[C@H](Nc1ccc2scnc2c1)[C@H]1CC12CC2 ZINC000527895204 387775765 /nfs/dbraw/zinc/77/57/65/387775765.db2.gz JJCZAYFGBNTXGA-GXSJLCMTSA-N 0 0 244.363 3.897 20 0 BHADRN C[C@@H](Nc1ccc2scnc2c1)[C@@H]1CC12CC2 ZINC000527895207 387776090 /nfs/dbraw/zinc/77/60/90/387776090.db2.gz JJCZAYFGBNTXGA-KOLCDFICSA-N 0 0 244.363 3.897 20 0 BHADRN C[C@@H](Nc1ccc2scnc2c1)[C@H]1CC12CC2 ZINC000527895210 387776607 /nfs/dbraw/zinc/77/66/07/387776607.db2.gz JJCZAYFGBNTXGA-MWLCHTKSSA-N 0 0 244.363 3.897 20 0 BHADRN C[C@H](Nc1ccc2scnc2c1)[C@@H]1CC12CC2 ZINC000527895212 387775792 /nfs/dbraw/zinc/77/57/92/387775792.db2.gz JJCZAYFGBNTXGA-ONGXEEELSA-N 0 0 244.363 3.897 20 0 BHADRN C[C@@H](Nc1ccccc1OCCF)[C@@H]1CC12CC2 ZINC000527903942 387759889 /nfs/dbraw/zinc/75/98/89/387759889.db2.gz MDPOKTBKRWSKME-NEPJUHHUSA-N 0 0 249.329 3.635 20 0 BHADRN C[C@H](Nc1ccccc1OCCF)[C@H]1CC12CC2 ZINC000527903945 387760360 /nfs/dbraw/zinc/76/03/60/387760360.db2.gz MDPOKTBKRWSKME-NWDGAFQWSA-N 0 0 249.329 3.635 20 0 BHADRN C[C@H](Nc1ccccc1OCCF)[C@@H]1CC12CC2 ZINC000527903948 387759389 /nfs/dbraw/zinc/75/93/89/387759389.db2.gz MDPOKTBKRWSKME-RYUDHWBXSA-N 0 0 249.329 3.635 20 0 BHADRN C[C@@H](Nc1ccccc1OCCF)[C@H]1CC12CC2 ZINC000527903949 387760763 /nfs/dbraw/zinc/76/07/63/387760763.db2.gz MDPOKTBKRWSKME-VXGBXAGGSA-N 0 0 249.329 3.635 20 0 BHADRN CCCc1ccccc1NC(=O)c1cocc1C ZINC000527904326 387759246 /nfs/dbraw/zinc/75/92/46/387759246.db2.gz LEKJFLUBRYUDJW-UHFFFAOYSA-N 0 0 243.306 3.793 20 0 BHADRN C[C@H](Nc1cc(C2CC2)ccn1)[C@@H]1CC12CC2 ZINC000527904629 387759757 /nfs/dbraw/zinc/75/97/57/387759757.db2.gz YCHLWOPWPGXSMZ-GWCFXTLKSA-N 0 0 228.339 3.560 20 0 BHADRN C[C@H](Nc1cc(C2CC2)ccn1)[C@H]1CC12CC2 ZINC000527904632 387760383 /nfs/dbraw/zinc/76/03/83/387760383.db2.gz YCHLWOPWPGXSMZ-GXFFZTMASA-N 0 0 228.339 3.560 20 0 BHADRN C[C@@H](Nc1cc(C2CC2)ccn1)[C@@H]1CC12CC2 ZINC000527904636 323714161 /nfs/dbraw/zinc/71/41/61/323714161.db2.gz YCHLWOPWPGXSMZ-MFKMUULPSA-N 0 0 228.339 3.560 20 0 BHADRN C[C@@H](Nc1cc(C2CC2)ccn1)[C@H]1CC12CC2 ZINC000527904640 387760016 /nfs/dbraw/zinc/76/00/16/387760016.db2.gz YCHLWOPWPGXSMZ-ZWNOBZJWSA-N 0 0 228.339 3.560 20 0 BHADRN c1ccc2c(c1)ccnc2N1CCC2(CCC2)C1 ZINC000527920061 387790495 /nfs/dbraw/zinc/79/04/95/387790495.db2.gz GPNRNQHXINFIOF-UHFFFAOYSA-N 0 0 238.334 3.615 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC000527925927 387791756 /nfs/dbraw/zinc/79/17/56/387791756.db2.gz BRNHYIBEMCFUQA-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC12CC2 ZINC000527925928 323731509 /nfs/dbraw/zinc/73/15/09/323731509.db2.gz BRNHYIBEMCFUQA-MCIONIFRSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC000527925929 387791782 /nfs/dbraw/zinc/79/17/82/387791782.db2.gz BRNHYIBEMCFUQA-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC000527925930 387791224 /nfs/dbraw/zinc/79/12/24/387791224.db2.gz BRNHYIBEMCFUQA-RDBSUJKOSA-N 0 0 249.398 3.652 20 0 BHADRN Cc1cocc1C(=O)NCCCC1CCCCC1 ZINC000527936897 387795811 /nfs/dbraw/zinc/79/58/11/387795811.db2.gz AUCZEJJBCDADSE-UHFFFAOYSA-N 0 0 249.354 3.678 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cccc3c2OCC3)o1 ZINC000527954732 323728226 /nfs/dbraw/zinc/72/82/26/323728226.db2.gz CIXHNVJXANLQOY-LLVKDONJSA-N 0 0 243.306 3.696 20 0 BHADRN Cc1ccc([C@H](C)Nc2cccc3c2OCC3)o1 ZINC000527954735 323727802 /nfs/dbraw/zinc/72/78/02/323727802.db2.gz CIXHNVJXANLQOY-NSHDSACASA-N 0 0 243.306 3.696 20 0 BHADRN C[C@H](Nc1cccc2c1OCC2)c1ccsc1 ZINC000527958374 262893667 /nfs/dbraw/zinc/89/36/67/262893667.db2.gz SNOOWTYLXYEISX-JTQLQIEISA-N 0 0 245.347 3.856 20 0 BHADRN C[C@@H](Nc1cccc2c1OCC2)c1ccsc1 ZINC000527958376 387784463 /nfs/dbraw/zinc/78/44/63/387784463.db2.gz SNOOWTYLXYEISX-SNVBAGLBSA-N 0 0 245.347 3.856 20 0 BHADRN c1ccc2c(c1)ccnc2N1CCCC2(CC2)C1 ZINC000527967406 387811365 /nfs/dbraw/zinc/81/13/65/387811365.db2.gz QULGIWRXKJVLGX-UHFFFAOYSA-N 0 0 238.334 3.615 20 0 BHADRN FC(F)C1(CNc2nccc3ccccc32)CC1 ZINC000527993029 387805771 /nfs/dbraw/zinc/80/57/71/387805771.db2.gz LACHLHYYDPTYAI-UHFFFAOYSA-N 0 0 248.276 3.692 20 0 BHADRN CC[C@@H](C)Nc1cccc(C2CCOCC2)c1 ZINC000527993178 387805930 /nfs/dbraw/zinc/80/59/30/387805930.db2.gz LFLUBISHWBVULT-GFCCVEGCSA-N 0 0 233.355 3.791 20 0 BHADRN CC[C@H](C)Nc1cccc(C2CCOCC2)c1 ZINC000527993181 387805392 /nfs/dbraw/zinc/80/53/92/387805392.db2.gz LFLUBISHWBVULT-LBPRGKRZSA-N 0 0 233.355 3.791 20 0 BHADRN CC1CC(Nc2cccc(C3CCOCC3)c2)C1 ZINC000527995026 387806436 /nfs/dbraw/zinc/80/64/36/387806436.db2.gz MJPZLAJWKMCRDC-UHFFFAOYSA-N 0 0 245.366 3.791 20 0 BHADRN CC1=C[C@@H](C)CN(c2nccc3ccccc32)C1 ZINC000527995579 387806494 /nfs/dbraw/zinc/80/64/94/387806494.db2.gz NWGOXFBKRBBXFE-GFCCVEGCSA-N 0 0 238.334 3.637 20 0 BHADRN CC1=C[C@H](C)CN(c2nccc3ccccc32)C1 ZINC000527995580 387805177 /nfs/dbraw/zinc/80/51/77/387805177.db2.gz NWGOXFBKRBBXFE-LBPRGKRZSA-N 0 0 238.334 3.637 20 0 BHADRN CC1=C(C)CN(c2nccc3ccccc32)CC1 ZINC000527997671 387806334 /nfs/dbraw/zinc/80/63/34/387806334.db2.gz VSRTTZSNLNTQNS-UHFFFAOYSA-N 0 0 238.334 3.781 20 0 BHADRN FC1(CCNc2nccc3ccccc32)CCC1 ZINC000528021488 387826558 /nfs/dbraw/zinc/82/65/58/387826558.db2.gz OKPJXSOVKUGBLG-UHFFFAOYSA-N 0 0 244.313 3.929 20 0 BHADRN CCN(C(=O)C[C@@H](C)c1ccco1)C1CCCC1 ZINC000528024710 387829037 /nfs/dbraw/zinc/82/90/37/387829037.db2.gz UNNVIHVVYSMRSV-GFCCVEGCSA-N 0 0 249.354 3.564 20 0 BHADRN CCN(C(=O)C[C@H](C)c1ccco1)C1CCCC1 ZINC000528024712 387828437 /nfs/dbraw/zinc/82/84/37/387828437.db2.gz UNNVIHVVYSMRSV-LBPRGKRZSA-N 0 0 249.354 3.564 20 0 BHADRN C[C@@H](N[C@@H](C)c1ncccc1F)c1ccccc1 ZINC000528034835 387817103 /nfs/dbraw/zinc/81/71/03/387817103.db2.gz AEXKAXFUJYBARA-NEPJUHHUSA-N 0 0 244.313 3.633 20 0 BHADRN C[C@H](N[C@@H](C)c1ncccc1F)c1ccccc1 ZINC000528034836 323742271 /nfs/dbraw/zinc/74/22/71/323742271.db2.gz AEXKAXFUJYBARA-RYUDHWBXSA-N 0 0 244.313 3.633 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H](C)c2ncccc2F)o1 ZINC000528036113 323744112 /nfs/dbraw/zinc/74/41/12/323744112.db2.gz NVCIQHHMNHRKPL-MNOVXSKESA-N 0 0 248.301 3.534 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H](C)c2ncccc2F)o1 ZINC000528036114 323743539 /nfs/dbraw/zinc/74/35/39/323743539.db2.gz NVCIQHHMNHRKPL-QWRGUYRKSA-N 0 0 248.301 3.534 20 0 BHADRN CCN(C(=O)c1cocc1C)c1ccccc1C ZINC000528040906 387837374 /nfs/dbraw/zinc/83/73/74/387837374.db2.gz OYRXJMZSQSSWHH-UHFFFAOYSA-N 0 0 243.306 3.563 20 0 BHADRN CC(C)(F)CCNc1nccc2ccccc21 ZINC000528053211 387837544 /nfs/dbraw/zinc/83/75/44/387837544.db2.gz JSLCDGFPWWWNKS-UHFFFAOYSA-N 0 0 232.302 3.785 20 0 BHADRN C[C@]1(CNc2nccc3ccccc32)CC1(F)F ZINC000528053821 387837960 /nfs/dbraw/zinc/83/79/60/387837960.db2.gz KVJHTLOLGXTTQJ-CYBMUJFWSA-N 0 0 248.276 3.692 20 0 BHADRN C[C@@]1(CNc2nccc3ccccc32)CC1(F)F ZINC000528053823 387838830 /nfs/dbraw/zinc/83/88/30/387838830.db2.gz KVJHTLOLGXTTQJ-ZDUSSCGKSA-N 0 0 248.276 3.692 20 0 BHADRN FC1(F)C[C@H]1CCNc1nccc2ccccc21 ZINC000528057829 323754211 /nfs/dbraw/zinc/75/42/11/323754211.db2.gz JHEXPBNNTHIATR-LLVKDONJSA-N 0 0 248.276 3.692 20 0 BHADRN FC1(F)C[C@@H]1CCNc1nccc2ccccc21 ZINC000528058016 387838628 /nfs/dbraw/zinc/83/86/28/387838628.db2.gz JHEXPBNNTHIATR-NSHDSACASA-N 0 0 248.276 3.692 20 0 BHADRN CCC[C@@H](OCC)c1nc(-c2ccccc2)no1 ZINC000528058707 323754294 /nfs/dbraw/zinc/75/42/94/323754294.db2.gz AFMNAGXHNOKYLG-GFCCVEGCSA-N 0 0 246.310 3.614 20 0 BHADRN CCC[C@H](OCC)c1nc(-c2ccccc2)no1 ZINC000528058708 323754229 /nfs/dbraw/zinc/75/42/29/323754229.db2.gz AFMNAGXHNOKYLG-LBPRGKRZSA-N 0 0 246.310 3.614 20 0 BHADRN c1csc(-c2noc([C@H]3CCCC34CC4)n2)c1 ZINC000528058772 323754354 /nfs/dbraw/zinc/75/43/54/323754354.db2.gz BVEBTXMMNGXGQK-SECBINFHSA-N 0 0 246.335 3.846 20 0 BHADRN c1csc(-c2noc([C@@H]3CCCC34CC4)n2)c1 ZINC000528058774 323754105 /nfs/dbraw/zinc/75/41/05/323754105.db2.gz BVEBTXMMNGXGQK-VIFPVBQESA-N 0 0 246.335 3.846 20 0 BHADRN c1ccc(-c2noc([C@H]3CCCC34CC4)n2)cc1 ZINC000528059655 323754223 /nfs/dbraw/zinc/75/42/23/323754223.db2.gz IIKANGQOOWUPGM-GFCCVEGCSA-N 0 0 240.306 3.784 20 0 BHADRN c1ccc(-c2noc([C@@H]3CCCC34CC4)n2)cc1 ZINC000528059661 323754399 /nfs/dbraw/zinc/75/43/99/323754399.db2.gz IIKANGQOOWUPGM-LBPRGKRZSA-N 0 0 240.306 3.784 20 0 BHADRN C[C@@H]1[C@@H](c2nc(-c3cccs3)no2)[C@@H]1C1CC1 ZINC000528060415 387838658 /nfs/dbraw/zinc/83/86/58/387838658.db2.gz ODXURGBSYXDSNN-BKDNQFJXSA-N 0 0 246.335 3.558 20 0 BHADRN C[C@H]1[C@@H](C2CC2)[C@H]1c1nc(-c2cccs2)no1 ZINC000528060416 387838665 /nfs/dbraw/zinc/83/86/65/387838665.db2.gz ODXURGBSYXDSNN-SWPVVBRQSA-N 0 0 246.335 3.558 20 0 BHADRN C[C@@H]1[C@@H](c2nc(-c3cccs3)no2)[C@H]1C1CC1 ZINC000528060417 323755068 /nfs/dbraw/zinc/75/50/68/323755068.db2.gz ODXURGBSYXDSNN-WHGOUJPWSA-N 0 0 246.335 3.558 20 0 BHADRN C[C@@H]1[C@H](c2nc(-c3cccs3)no2)[C@H]1C1CC1 ZINC000528060418 387838670 /nfs/dbraw/zinc/83/86/70/387838670.db2.gz ODXURGBSYXDSNN-XROYCOCOSA-N 0 0 246.335 3.558 20 0 BHADRN CC(C)Cc1noc([C@@H]2C[C@H]2c2ccsc2)n1 ZINC000528060589 323754853 /nfs/dbraw/zinc/75/48/53/323754853.db2.gz LQWOHNKBOQVVAG-WDEREUQCSA-N 0 0 248.351 3.601 20 0 BHADRN Cc1ccccc1C[C@@H](C)c1nc(C(C)C)no1 ZINC000528062379 387841071 /nfs/dbraw/zinc/84/10/71/387841071.db2.gz HEAWDDGQHLCLLP-GFCCVEGCSA-N 0 0 244.338 3.848 20 0 BHADRN Cc1ccccc1C[C@H](C)c1nc(C(C)C)no1 ZINC000528062381 387841434 /nfs/dbraw/zinc/84/14/34/387841434.db2.gz HEAWDDGQHLCLLP-LBPRGKRZSA-N 0 0 244.338 3.848 20 0 BHADRN CC(C)c1noc([C@@H]2C[C@H]2c2ccsc2)n1 ZINC000528062922 323755085 /nfs/dbraw/zinc/75/50/85/323755085.db2.gz DKXUGPTZGKUYIS-VHSXEESVSA-N 0 0 234.324 3.526 20 0 BHADRN CC(C)c1noc([C@H]2Cc3c2cccc3Cl)n1 ZINC000528065255 387841150 /nfs/dbraw/zinc/84/11/50/387841150.db2.gz VWIDYJDTLXYPKK-JTQLQIEISA-N 0 0 248.713 3.534 20 0 BHADRN CC(C)c1noc([C@@H]2Cc3c2cccc3Cl)n1 ZINC000528065257 323755814 /nfs/dbraw/zinc/75/58/14/323755814.db2.gz VWIDYJDTLXYPKK-SNVBAGLBSA-N 0 0 248.713 3.534 20 0 BHADRN CC(C)c1noc(C2(C)CCC(F)(F)CC2)n1 ZINC000528066351 323757052 /nfs/dbraw/zinc/75/70/52/323757052.db2.gz SZCZQNCAVZWSRX-UHFFFAOYSA-N 0 0 244.285 3.660 20 0 BHADRN Cc1cocc1-c1nc(C2CCCCC2)no1 ZINC000528077068 262904513 /nfs/dbraw/zinc/90/45/13/262904513.db2.gz FVWQOXULEPHLQR-UHFFFAOYSA-N 0 0 232.283 3.686 20 0 BHADRN C[C@@H]1[C@H](c2nc(C3CCCCC3)no2)[C@H]1C1CC1 ZINC000528081536 262904687 /nfs/dbraw/zinc/90/46/87/262904687.db2.gz UQYXPGXNEGXUOA-BIMULSAOSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1[C@@H](c2nc(C3CCCCC3)no2)[C@@H]1C1CC1 ZINC000528081538 387835182 /nfs/dbraw/zinc/83/51/82/387835182.db2.gz UQYXPGXNEGXUOA-TVYUQYBPSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@H]1[C@@H](C2CC2)[C@H]1c1nc(C2CCCCC2)no1 ZINC000528081539 262904532 /nfs/dbraw/zinc/90/45/32/262904532.db2.gz UQYXPGXNEGXUOA-XDTLVQLUSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1[C@@H](c2nc(C3CCCCC3)no2)[C@H]1C1CC1 ZINC000528081541 387836388 /nfs/dbraw/zinc/83/63/88/387836388.db2.gz UQYXPGXNEGXUOA-ZWKOPEQDSA-N 0 0 246.354 3.877 20 0 BHADRN c1scc2sc(-c3nc(C4CC4)no3)cc12 ZINC000528087317 323761791 /nfs/dbraw/zinc/76/17/91/323761791.db2.gz RHCIQWKVNVBSFG-UHFFFAOYSA-N 0 0 248.332 3.890 20 0 BHADRN Cc1ccccc1C[C@@H](C)c1nc(C2CC2)no1 ZINC000528088985 387844833 /nfs/dbraw/zinc/84/48/33/387844833.db2.gz XXQHGVZJYCIVPV-LLVKDONJSA-N 0 0 242.322 3.602 20 0 BHADRN Cc1ccccc1C[C@H](C)c1nc(C2CC2)no1 ZINC000528088990 323762771 /nfs/dbraw/zinc/76/27/71/323762771.db2.gz XXQHGVZJYCIVPV-NSHDSACASA-N 0 0 242.322 3.602 20 0 BHADRN CCC[C@@H](OCC)c1nc(C2CCCC2)no1 ZINC000528091988 323762629 /nfs/dbraw/zinc/76/26/29/323762629.db2.gz JYOSBWPXMBVNGU-LLVKDONJSA-N 0 0 238.331 3.605 20 0 BHADRN CCC[C@H](OCC)c1nc(C2CCCC2)no1 ZINC000528091990 323762576 /nfs/dbraw/zinc/76/25/76/323762576.db2.gz JYOSBWPXMBVNGU-NSHDSACASA-N 0 0 238.331 3.605 20 0 BHADRN CC(C)c1nocc1-c1nc(C2CCCC2)no1 ZINC000528092561 323762445 /nfs/dbraw/zinc/76/24/45/323762445.db2.gz NESQLDBXASOTIW-UHFFFAOYSA-N 0 0 247.298 3.506 20 0 BHADRN Cc1cocc1C(=O)NCC1CCCCCCC1 ZINC000528093073 387846447 /nfs/dbraw/zinc/84/64/47/387846447.db2.gz CJUOPSPGOUMWCX-UHFFFAOYSA-N 0 0 249.354 3.678 20 0 BHADRN C1CC12CCC[C@@H]2c1nc(C2CCCC2)no1 ZINC000528093461 387846894 /nfs/dbraw/zinc/84/68/94/387846894.db2.gz QJBQNFWQFWQQDU-LLVKDONJSA-N 0 0 232.327 3.775 20 0 BHADRN C1CC12CCC[C@H]2c1nc(C2CCCC2)no1 ZINC000528093464 323763563 /nfs/dbraw/zinc/76/35/63/323763563.db2.gz QJBQNFWQFWQQDU-NSHDSACASA-N 0 0 232.327 3.775 20 0 BHADRN C[C@@H](Cc1nc(C2CCCC2)no1)c1ccco1 ZINC000528094671 387846480 /nfs/dbraw/zinc/84/64/80/387846480.db2.gz VPSRANPMRQQNRO-JTQLQIEISA-N 0 0 246.310 3.666 20 0 BHADRN C[C@H](Cc1nc(C2CCCC2)no1)c1ccco1 ZINC000528094673 323763330 /nfs/dbraw/zinc/76/33/30/323763330.db2.gz VPSRANPMRQQNRO-SNVBAGLBSA-N 0 0 246.310 3.666 20 0 BHADRN CC(C)CCc1noc(C[C@@H](C)c2ccco2)n1 ZINC000528095461 387846253 /nfs/dbraw/zinc/84/62/53/387846253.db2.gz FVQBHSUIMILRBL-LLVKDONJSA-N 0 0 248.326 3.597 20 0 BHADRN CC(C)CCc1noc(C[C@H](C)c2ccco2)n1 ZINC000528095468 323763442 /nfs/dbraw/zinc/76/34/42/323763442.db2.gz FVQBHSUIMILRBL-NSHDSACASA-N 0 0 248.326 3.597 20 0 BHADRN CC(C)CCc1noc([C@H]2CCCC23CC3)n1 ZINC000528103605 323765202 /nfs/dbraw/zinc/76/52/02/323765202.db2.gz VGMKGCOBSWCPIN-LLVKDONJSA-N 0 0 234.343 3.706 20 0 BHADRN CC(C)CCc1noc([C@@H]2CCCC23CC3)n1 ZINC000528103607 387845680 /nfs/dbraw/zinc/84/56/80/387845680.db2.gz VGMKGCOBSWCPIN-NSHDSACASA-N 0 0 234.343 3.706 20 0 BHADRN CCC[C@@H](OCC)c1nc(CCC(C)C)no1 ZINC000528104870 387845777 /nfs/dbraw/zinc/84/57/77/387845777.db2.gz ZMMVUWYSJKHKQL-LLVKDONJSA-N 0 0 240.347 3.536 20 0 BHADRN CCC[C@H](OCC)c1nc(CCC(C)C)no1 ZINC000528104871 323765195 /nfs/dbraw/zinc/76/51/95/323765195.db2.gz ZMMVUWYSJKHKQL-NSHDSACASA-N 0 0 240.347 3.536 20 0 BHADRN Cc1cocc1C(=O)Nc1c(C)cc(C)cc1C ZINC000528109724 387847624 /nfs/dbraw/zinc/84/76/24/387847624.db2.gz GEQFTOIETRPRRR-UHFFFAOYSA-N 0 0 243.306 3.766 20 0 BHADRN C1=CCC(CNc2nccc3ccccc32)C1 ZINC000528112776 387848680 /nfs/dbraw/zinc/84/86/80/387848680.db2.gz FFBWDZHRGVJSPH-UHFFFAOYSA-N 0 0 224.307 3.613 20 0 BHADRN Cc1cocc1-c1nc(C2CCC(C)CC2)no1 ZINC000528113964 387847737 /nfs/dbraw/zinc/84/77/37/387847737.db2.gz KHMIRSUHTITDOB-UHFFFAOYSA-N 0 0 246.310 3.932 20 0 BHADRN CCc1cccc(C)c1NC(=O)c1cocc1C ZINC000528114318 323767266 /nfs/dbraw/zinc/76/72/66/323767266.db2.gz KVVHJCUXUNLJRL-UHFFFAOYSA-N 0 0 243.306 3.711 20 0 BHADRN Cc1cocc1-c1nc(CC2CCCCC2)no1 ZINC000528114362 387847599 /nfs/dbraw/zinc/84/75/99/387847599.db2.gz LZQMXZZCRSRJSU-UHFFFAOYSA-N 0 0 246.310 3.761 20 0 BHADRN CCC1CCC(CNC(=O)c2cocc2C)CC1 ZINC000528117492 387849755 /nfs/dbraw/zinc/84/97/55/387849755.db2.gz VHCDBFCHTVGCSJ-UHFFFAOYSA-N 0 0 249.354 3.534 20 0 BHADRN Cc1cocc1-c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000528117746 387842494 /nfs/dbraw/zinc/84/24/94/387842494.db2.gz WUWISQHTRDFSSL-GXSJLCMTSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cocc1-c1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000528117748 387842837 /nfs/dbraw/zinc/84/28/37/387842837.db2.gz WUWISQHTRDFSSL-KOLCDFICSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cocc1-c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000528117750 387842080 /nfs/dbraw/zinc/84/20/80/387842080.db2.gz WUWISQHTRDFSSL-MWLCHTKSSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cocc1-c1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000528117751 323760737 /nfs/dbraw/zinc/76/07/37/323760737.db2.gz WUWISQHTRDFSSL-ONGXEEELSA-N 0 0 246.310 3.932 20 0 BHADRN Cc1cocc1-c1nc([C@@H](C)C(C)(C)C)no1 ZINC000528126143 323770272 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CKGYZHGTNNRXEI-AWEZNQCLSA-N 0 0 249.398 3.746 20 0 BHADRN CCC(CC)N(C(=O)[C@H]1CCCC12CC2)C1CC1 ZINC000528351249 387906549 /nfs/dbraw/zinc/90/65/49/387906549.db2.gz CKGYZHGTNNRXEI-CQSZACIVSA-N 0 0 249.398 3.746 20 0 BHADRN C/C(Cl)=C/CN(C)Cc1ccc(F)cc1F ZINC000528352285 387907106 /nfs/dbraw/zinc/90/71/06/387907106.db2.gz SWDPBFNWGCUUOL-UITAMQMPSA-N 0 0 245.700 3.539 20 0 BHADRN C/C(Cl)=C\CN(C)Cc1ccc(F)cc1F ZINC000528352304 387905197 /nfs/dbraw/zinc/90/51/97/387905197.db2.gz SWDPBFNWGCUUOL-WEVVVXLNSA-N 0 0 245.700 3.539 20 0 BHADRN C/C(Cl)=C/CN(C)Cc1ccc(F)c(F)c1 ZINC000528354487 387908368 /nfs/dbraw/zinc/90/83/68/387908368.db2.gz YQDKPCSLELLMKR-UITAMQMPSA-N 0 0 245.700 3.539 20 0 BHADRN C/C(Cl)=C\CN(C)Cc1ccc(F)c(F)c1 ZINC000528354489 387907500 /nfs/dbraw/zinc/90/75/00/387907500.db2.gz YQDKPCSLELLMKR-WEVVVXLNSA-N 0 0 245.700 3.539 20 0 BHADRN C/C(Cl)=C\CN(Cc1ccc(C)o1)C1CC1 ZINC000528355676 387908481 /nfs/dbraw/zinc/90/84/81/387908481.db2.gz NGLLVKNNNHZMJB-JXMROGBWSA-N 0 0 239.746 3.695 20 0 BHADRN C/C(Cl)=C/CN(Cc1ccc(C)o1)C1CC1 ZINC000528355681 387909103 /nfs/dbraw/zinc/90/91/03/387909103.db2.gz NGLLVKNNNHZMJB-YFHOEESVSA-N 0 0 239.746 3.695 20 0 BHADRN CCC[N@H+](CC)Cc1nc2cc(C)ccc2s1 ZINC000528360158 387911312 /nfs/dbraw/zinc/91/13/12/387911312.db2.gz NGWHBSHUNQPZOB-UHFFFAOYSA-N 0 0 248.395 3.837 20 0 BHADRN Cc1ccc2sc(C[N@@H+](C)CC(C)C)nc2c1 ZINC000528360269 387911090 /nfs/dbraw/zinc/91/10/90/387911090.db2.gz NYNZGGFIJBKJML-UHFFFAOYSA-N 0 0 248.395 3.693 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@@H]2CCCC23CC3)c1 ZINC000528370116 388451365 /nfs/dbraw/zinc/45/13/65/388451365.db2.gz AFNYKESEWKPBOW-AWEZNQCLSA-N 0 0 243.350 3.538 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@H]2CCCC23CC3)c1 ZINC000528370121 262919788 /nfs/dbraw/zinc/91/97/88/262919788.db2.gz AFNYKESEWKPBOW-CQSZACIVSA-N 0 0 243.350 3.538 20 0 BHADRN CCN(C(=O)c1cocc1C)[C@@H]1CCCC[C@H]1C ZINC000528377038 388518586 /nfs/dbraw/zinc/51/85/86/388518586.db2.gz JUERSGSDGVYTPY-BXUZGUMPSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1cocc1C)[C@H]1CCCC[C@@H]1C ZINC000528377043 388518532 /nfs/dbraw/zinc/51/85/32/388518532.db2.gz JUERSGSDGVYTPY-FZMZJTMJSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1cocc1C)[C@H]1CCCC[C@H]1C ZINC000528377049 388518277 /nfs/dbraw/zinc/51/82/77/388518277.db2.gz JUERSGSDGVYTPY-RISCZKNCSA-N 0 0 249.354 3.629 20 0 BHADRN CCN(C(=O)c1cocc1C)[C@@H]1CCCC[C@@H]1C ZINC000528377055 388517888 /nfs/dbraw/zinc/51/78/88/388517888.db2.gz JUERSGSDGVYTPY-SMDDNHRTSA-N 0 0 249.354 3.629 20 0 BHADRN CCCC[C@H]1CCC[C@H]1NC(=O)c1cocc1C ZINC000528395917 324220337 /nfs/dbraw/zinc/22/03/37/324220337.db2.gz OIUVJFPCNCAGRG-GXTWGEPZSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cocc1C ZINC000528395918 324219860 /nfs/dbraw/zinc/21/98/60/324219860.db2.gz OIUVJFPCNCAGRG-JSGCOSHPSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cocc1C ZINC000528395919 324220648 /nfs/dbraw/zinc/22/06/48/324220648.db2.gz OIUVJFPCNCAGRG-OCCSQVGLSA-N 0 0 249.354 3.677 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)c1cocc1C ZINC000528395921 324220315 /nfs/dbraw/zinc/22/03/15/324220315.db2.gz OIUVJFPCNCAGRG-TZMCWYRMSA-N 0 0 249.354 3.677 20 0 BHADRN CC[C@@H](C)C[N@H+](CC)Cc1ncccc1Cl ZINC000528397581 387584966 /nfs/dbraw/zinc/58/49/66/387584966.db2.gz QWQSGVHZKZYGSM-LLVKDONJSA-N 0 0 240.778 3.603 20 0 BHADRN CC[C@H](C)C[N@H+](CC)Cc1ncccc1Cl ZINC000528397587 387584236 /nfs/dbraw/zinc/58/42/36/387584236.db2.gz QWQSGVHZKZYGSM-NSHDSACASA-N 0 0 240.778 3.603 20 0 BHADRN Cc1cnccc1CN(c1ccccc1)C(C)C ZINC000528405830 350495705 /nfs/dbraw/zinc/49/57/05/350495705.db2.gz CDRGFPHAVUISDY-UHFFFAOYSA-N 0 0 240.350 3.805 20 0 BHADRN CCN(Cc1ccncc1C)c1ccccc1F ZINC000528409344 384846054 /nfs/dbraw/zinc/84/60/54/384846054.db2.gz OGWPXPOHCGBABE-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN Cc1cc(NC(=O)[C@H]2CCCC23CC3)ccc1F ZINC000528409626 262945005 /nfs/dbraw/zinc/94/50/05/262945005.db2.gz BSOFIOFTYBVVED-GFCCVEGCSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1cc(NC(=O)[C@@H]2CCCC23CC3)ccc1F ZINC000528409633 262945019 /nfs/dbraw/zinc/94/50/19/262945019.db2.gz BSOFIOFTYBVVED-LBPRGKRZSA-N 0 0 247.313 3.653 20 0 BHADRN CCC[C@H]1CCCC[C@H]1NC(=O)c1cocc1C ZINC000528410379 388521371 /nfs/dbraw/zinc/52/13/71/388521371.db2.gz ZOHQPPWVRPWMRT-GXTWGEPZSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1NC(=O)c1cocc1C ZINC000528410383 388521469 /nfs/dbraw/zinc/52/14/69/388521469.db2.gz ZOHQPPWVRPWMRT-JSGCOSHPSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cocc1C ZINC000528410384 388520579 /nfs/dbraw/zinc/52/05/79/388520579.db2.gz ZOHQPPWVRPWMRT-OCCSQVGLSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)c1cocc1C ZINC000528410387 384850459 /nfs/dbraw/zinc/85/04/59/384850459.db2.gz ZOHQPPWVRPWMRT-TZMCWYRMSA-N 0 0 249.354 3.677 20 0 BHADRN CCN(Cc1ccncc1C)c1cccc(F)c1 ZINC000528410755 384854989 /nfs/dbraw/zinc/85/49/89/384854989.db2.gz OCRDFKVZLPMKAY-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCN(Cc1ccncc1C)c1ccc(F)cc1 ZINC000528411679 388520916 /nfs/dbraw/zinc/52/09/16/388520916.db2.gz VNUBBKCGLWCJNS-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CC[C@@](C)(NCC1CC(C)(C)C1)C(F)(F)F ZINC000528416426 388521236 /nfs/dbraw/zinc/52/12/36/388521236.db2.gz MHVAFUQHJFOVRB-LLVKDONJSA-N 0 0 237.309 3.743 20 0 BHADRN CC[C@](C)(NCC1CC(C)(C)C1)C(F)(F)F ZINC000528416428 388521212 /nfs/dbraw/zinc/52/12/12/388521212.db2.gz MHVAFUQHJFOVRB-NSHDSACASA-N 0 0 237.309 3.743 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CCCC12CC2)C1CCCC1 ZINC000528418554 384487560 /nfs/dbraw/zinc/48/75/60/384487560.db2.gz MAGFWOFLHZQSON-AWEZNQCLSA-N 0 0 249.398 3.746 20 0 BHADRN CC(C)N(C(=O)[C@H]1CCCC12CC2)C1CCCC1 ZINC000528418558 322995350 /nfs/dbraw/zinc/99/53/50/322995350.db2.gz MAGFWOFLHZQSON-CQSZACIVSA-N 0 0 249.398 3.746 20 0 BHADRN Cc1cocc1C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000528418608 388521864 /nfs/dbraw/zinc/52/18/64/388521864.db2.gz XKXYEKVXVFBNOO-GXTWGEPZSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1cocc1C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000528418610 388521856 /nfs/dbraw/zinc/52/18/56/388521856.db2.gz XKXYEKVXVFBNOO-JSGCOSHPSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1cocc1C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000528418611 388522232 /nfs/dbraw/zinc/52/22/32/388522232.db2.gz XKXYEKVXVFBNOO-OCCSQVGLSA-N 0 0 249.354 3.533 20 0 BHADRN CC(C)(C)[C@H]1CCCN1C(=O)[C@H]1CCCC12CC2 ZINC000528418968 323009477 /nfs/dbraw/zinc/00/94/77/323009477.db2.gz AJEQKYQZUSBFOO-CHWSQXEVSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(C)[C@@H]1CCCN1C(=O)[C@H]1CCCC12CC2 ZINC000528418975 323009608 /nfs/dbraw/zinc/00/96/08/323009608.db2.gz AJEQKYQZUSBFOO-OLZOCXBDSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC000528418978 323009621 /nfs/dbraw/zinc/00/96/21/323009621.db2.gz AJEQKYQZUSBFOO-QWHCGFSZSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC000528418981 323009458 /nfs/dbraw/zinc/00/94/58/323009458.db2.gz AJEQKYQZUSBFOO-STQMWFEESA-N 0 0 249.398 3.604 20 0 BHADRN Cc1cocc1C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000528419069 388521640 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ZINC000528597467 388550324 /nfs/dbraw/zinc/55/03/24/388550324.db2.gz BRPKLXVPILBZRC-KBPBESRZSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@@H]1CCCCN1C(=O)[C@H]1CCCC12CC2 ZINC000528597469 388550233 /nfs/dbraw/zinc/55/02/33/388550233.db2.gz BRPKLXVPILBZRC-KGLIPLIRSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)[C@@H]1CCCC12CC2 ZINC000528597470 388550058 /nfs/dbraw/zinc/55/00/58/388550058.db2.gz BRPKLXVPILBZRC-UONOGXRCSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)[C@H]1CCCC12CC2 ZINC000528597473 262961287 /nfs/dbraw/zinc/96/12/87/262961287.db2.gz BRPKLXVPILBZRC-ZIAGYGMSSA-N 0 0 249.398 3.604 20 0 BHADRN O=C(Nc1ccsc1)[C@@H]1C[C@H]1c1ccsc1 ZINC000528599996 262961832 /nfs/dbraw/zinc/96/18/32/262961832.db2.gz QKCJESYWFSQINV-WDEREUQCSA-N 0 0 249.360 3.552 20 0 BHADRN CC[C@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000528600703 388549996 /nfs/dbraw/zinc/54/99/96/388549996.db2.gz VMRGZBUXGHIVCJ-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000528600704 262961850 /nfs/dbraw/zinc/96/18/50/262961850.db2.gz VMRGZBUXGHIVCJ-KGLIPLIRSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@H]1CCCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000528600705 388551133 /nfs/dbraw/zinc/55/11/33/388551133.db2.gz VMRGZBUXGHIVCJ-UONOGXRCSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000528600706 388551463 /nfs/dbraw/zinc/55/14/63/388551463.db2.gz VMRGZBUXGHIVCJ-ZIAGYGMSSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cocc1C ZINC000528613539 388552432 /nfs/dbraw/zinc/55/24/32/388552432.db2.gz YAVZTVOXXCLAEA-BXUZGUMPSA-N 0 0 249.354 3.629 20 0 BHADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cocc1C ZINC000528613541 388552753 /nfs/dbraw/zinc/55/27/53/388552753.db2.gz YAVZTVOXXCLAEA-FZMZJTMJSA-N 0 0 249.354 3.629 20 0 BHADRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cocc1C ZINC000528613543 388552733 /nfs/dbraw/zinc/55/27/33/388552733.db2.gz YAVZTVOXXCLAEA-RISCZKNCSA-N 0 0 249.354 3.629 20 0 BHADRN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cocc1C ZINC000528613544 388551845 /nfs/dbraw/zinc/55/18/45/388551845.db2.gz YAVZTVOXXCLAEA-SMDDNHRTSA-N 0 0 249.354 3.629 20 0 BHADRN CCCN(Cc1ncc(C)o1)c1ccccc1F ZINC000528632677 388553926 /nfs/dbraw/zinc/55/39/26/388553926.db2.gz CEJDXOYECBNWLB-UHFFFAOYSA-N 0 0 248.301 3.539 20 0 BHADRN CCCN(Cc1cc(C)no1)c1ccccc1F ZINC000528633786 388553183 /nfs/dbraw/zinc/55/31/83/388553183.db2.gz ITGMMJYDLGCBTD-UHFFFAOYSA-N 0 0 248.301 3.539 20 0 BHADRN CCCN(Cc1ccncc1)c1ccccc1F ZINC000528634564 388553535 /nfs/dbraw/zinc/55/35/35/388553535.db2.gz KSRLSPUGPKUSNE-UHFFFAOYSA-N 0 0 244.313 3.637 20 0 BHADRN CCCN(Cc1coc(C)n1)c1ccccc1F ZINC000528634783 388553987 /nfs/dbraw/zinc/55/39/87/388553987.db2.gz NUWIVFNJTDDNKV-UHFFFAOYSA-N 0 0 248.301 3.539 20 0 BHADRN CCCN(Cc1cc(C)on1)c1ccccc1F ZINC000528635353 388553715 /nfs/dbraw/zinc/55/37/15/388553715.db2.gz QPWGNIQMCHPUBY-UHFFFAOYSA-N 0 0 248.301 3.539 20 0 BHADRN CCCN(Cc1ccccn1)c1ccccc1F ZINC000528635790 388553700 /nfs/dbraw/zinc/55/37/00/388553700.db2.gz PUXIFJJCKUJCFW-UHFFFAOYSA-N 0 0 244.313 3.637 20 0 BHADRN C[C@H]1CC(NC(=O)[C@@H]2CCCC23CC3)C[C@H](C)C1 ZINC000528636513 388553271 /nfs/dbraw/zinc/55/32/71/388553271.db2.gz DWYYEGVQHKDYTJ-BZPMIXESSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC23CC3)C[C@@H](C)C1 ZINC000528636515 388553754 /nfs/dbraw/zinc/55/37/54/388553754.db2.gz DWYYEGVQHKDYTJ-DGAVXFQQSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1CC(NC(=O)[C@H]2CCCC23CC3)C[C@H](C)C1 ZINC000528636516 388554007 /nfs/dbraw/zinc/55/40/07/388554007.db2.gz DWYYEGVQHKDYTJ-YRGRVCCFSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H]1C[C@H](NC(=O)[C@H]2CCCC23CC3)C[C@@H](C)C1 ZINC000528636517 388553039 /nfs/dbraw/zinc/55/30/39/388553039.db2.gz DWYYEGVQHKDYTJ-ZOBORPQBSA-N 0 0 249.398 3.508 20 0 BHADRN CCCN(Cc1conc1C)c1ccccc1F ZINC000528637395 388554456 /nfs/dbraw/zinc/55/44/56/388554456.db2.gz WLXIDQIZSBCZMN-UHFFFAOYSA-N 0 0 248.301 3.539 20 0 BHADRN CC[C@H]1CCCCCN1C(=O)[C@@H]1CCCC12CC2 ZINC000528638143 388554763 /nfs/dbraw/zinc/55/47/63/388554763.db2.gz XJQMFOFSRJTECA-KBPBESRZSA-N 0 0 249.398 3.748 20 0 BHADRN CC[C@@H]1CCCCCN1C(=O)[C@@H]1CCCC12CC2 ZINC000528638144 388554361 /nfs/dbraw/zinc/55/43/61/388554361.db2.gz XJQMFOFSRJTECA-KGLIPLIRSA-N 0 0 249.398 3.748 20 0 BHADRN CC[C@H]1CCCCCN1C(=O)[C@H]1CCCC12CC2 ZINC000528638145 388554906 /nfs/dbraw/zinc/55/49/06/388554906.db2.gz XJQMFOFSRJTECA-UONOGXRCSA-N 0 0 249.398 3.748 20 0 BHADRN CC[C@@H]1CCCCCN1C(=O)[C@H]1CCCC12CC2 ZINC000528638146 262963982 /nfs/dbraw/zinc/96/39/82/262963982.db2.gz XJQMFOFSRJTECA-ZIAGYGMSSA-N 0 0 249.398 3.748 20 0 BHADRN CC(C)N(C(=O)C[C@@H](C)c1ccco1)C1CCC1 ZINC000528639696 388554960 /nfs/dbraw/zinc/55/49/60/388554960.db2.gz JRWSRCBWBNRFEX-GFCCVEGCSA-N 0 0 249.354 3.563 20 0 BHADRN CC(C)N(C(=O)C[C@H](C)c1ccco1)C1CCC1 ZINC000528639697 388554993 /nfs/dbraw/zinc/55/49/93/388554993.db2.gz JRWSRCBWBNRFEX-LBPRGKRZSA-N 0 0 249.354 3.563 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC000528645663 262964076 /nfs/dbraw/zinc/96/40/76/262964076.db2.gz YALSOQJMPMVVFD-HZSPNIEDSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000528645664 388554463 /nfs/dbraw/zinc/55/44/63/388554463.db2.gz YALSOQJMPMVVFD-MCIONIFRSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC000528645665 262964311 /nfs/dbraw/zinc/96/43/11/262964311.db2.gz YALSOQJMPMVVFD-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000528645666 388554364 /nfs/dbraw/zinc/55/43/64/388554364.db2.gz YALSOQJMPMVVFD-RDBSUJKOSA-N 0 0 249.398 3.652 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@H]1CCCC12CC2 ZINC000528654221 388555363 /nfs/dbraw/zinc/55/53/63/388555363.db2.gz QDUWMHSUAQEHST-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@@H]1CCCC12CC2 ZINC000528654223 262964470 /nfs/dbraw/zinc/96/44/70/262964470.db2.gz QDUWMHSUAQEHST-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCC[C@H](C)N(C(=O)[C@H]2CCCC23CC3)C1 ZINC000528654587 388555810 /nfs/dbraw/zinc/55/58/10/388555810.db2.gz SEYZXKKQOMSCNU-HZSPNIEDSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000528654593 388555580 /nfs/dbraw/zinc/55/55/80/388555580.db2.gz SEYZXKKQOMSCNU-MCIONIFRSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@H]2CCCC23CC3)C1 ZINC000528654597 388555918 /nfs/dbraw/zinc/55/59/18/388555918.db2.gz SEYZXKKQOMSCNU-MGPQQGTHSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](C)N(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000528654607 388555350 /nfs/dbraw/zinc/55/53/50/388555350.db2.gz SEYZXKKQOMSCNU-RDBSUJKOSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H](NC(=O)[C@H]1CCCC12CC2)C1CCCCC1 ZINC000528656617 388555819 /nfs/dbraw/zinc/55/58/19/388555819.db2.gz ICEGBQHVIXACKY-GXTWGEPZSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CCCC12CC2)C1CCCCC1 ZINC000528656621 388555381 /nfs/dbraw/zinc/55/53/81/388555381.db2.gz ICEGBQHVIXACKY-JSGCOSHPSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H](NC(=O)[C@@H]1CCCC12CC2)C1CCCCC1 ZINC000528656623 262964576 /nfs/dbraw/zinc/96/45/76/262964576.db2.gz ICEGBQHVIXACKY-OCCSQVGLSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H](NC(=O)[C@H]1CCCC12CC2)C1CCCCC1 ZINC000528656627 388555591 /nfs/dbraw/zinc/55/55/91/388555591.db2.gz ICEGBQHVIXACKY-TZMCWYRMSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC(NC(=O)[C@H]2CCCC23CC3)CC1 ZINC000528657466 388555270 /nfs/dbraw/zinc/55/52/70/388555270.db2.gz WQIIXCJTSACGLV-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCC(NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC000528657468 388555736 /nfs/dbraw/zinc/55/57/36/388555736.db2.gz WQIIXCJTSACGLV-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000528658616 388556314 /nfs/dbraw/zinc/55/63/14/388556314.db2.gz QLHALVKVENMQHE-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN CC1(C)CCCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000528658620 388556735 /nfs/dbraw/zinc/55/67/35/388556735.db2.gz QLHALVKVENMQHE-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN FC(F)(F)[C@@H]1CCCN1CCC1CCCC1 ZINC000528667621 262964773 /nfs/dbraw/zinc/96/47/73/262964773.db2.gz BEWMYAJWMFFGIN-NSHDSACASA-N 0 0 235.293 3.593 20 0 BHADRN Cc1ccccc1CN1CCC[C@H]1C(F)(F)F ZINC000528668757 262965208 /nfs/dbraw/zinc/96/52/08/262965208.db2.gz LCMWMTPHRMQMBZ-LBPRGKRZSA-N 0 0 243.272 3.522 20 0 BHADRN FC(F)(F)[C@@H]1CCCN1CC1CCCCC1 ZINC000528669397 388557854 /nfs/dbraw/zinc/55/78/54/388557854.db2.gz MQHUSSSIRCRRTL-NSHDSACASA-N 0 0 235.293 3.593 20 0 BHADRN FC(F)(F)[C@H]1CCCN1CC1=CCCCC1 ZINC000528671235 352369068 /nfs/dbraw/zinc/36/90/68/352369068.db2.gz UBYAPSOOXHFWIA-LLVKDONJSA-N 0 0 233.277 3.514 20 0 BHADRN FC(F)(F)[C@@H]1CCCN1CC1=CCCCC1 ZINC000528671240 352369393 /nfs/dbraw/zinc/36/93/93/352369393.db2.gz UBYAPSOOXHFWIA-NSHDSACASA-N 0 0 233.277 3.514 20 0 BHADRN Cc1cccc(CN2CCC[C@H]2C(F)(F)F)c1 ZINC000528672308 388557027 /nfs/dbraw/zinc/55/70/27/388557027.db2.gz ZTHRTDFYGYEWIV-LBPRGKRZSA-N 0 0 243.272 3.522 20 0 BHADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cocc1C ZINC000528688345 262966191 /nfs/dbraw/zinc/96/61/91/262966191.db2.gz RDTGNKKTWSAJAU-BXUZGUMPSA-N 0 0 249.354 3.629 20 0 BHADRN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cocc1C ZINC000528688347 388558030 /nfs/dbraw/zinc/55/80/30/388558030.db2.gz RDTGNKKTWSAJAU-FZMZJTMJSA-N 0 0 249.354 3.629 20 0 BHADRN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cocc1C ZINC000528688348 262966210 /nfs/dbraw/zinc/96/62/10/262966210.db2.gz RDTGNKKTWSAJAU-RISCZKNCSA-N 0 0 249.354 3.629 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cocc1C ZINC000528688350 388558829 /nfs/dbraw/zinc/55/88/29/388558829.db2.gz RDTGNKKTWSAJAU-SMDDNHRTSA-N 0 0 249.354 3.629 20 0 BHADRN CC[C@]1(C)CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000528693068 262966211 /nfs/dbraw/zinc/96/62/11/262966211.db2.gz BOZRHICMHZJRKW-DZGCQCFKSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@]1(C)CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000528693074 388558697 /nfs/dbraw/zinc/55/86/97/388558697.db2.gz BOZRHICMHZJRKW-HIFRSBDPSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@]1(C)CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000528693078 388558138 /nfs/dbraw/zinc/55/81/38/388558138.db2.gz BOZRHICMHZJRKW-UKRRQHHQSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@]1(C)CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000528693084 388558458 /nfs/dbraw/zinc/55/84/58/388558458.db2.gz BOZRHICMHZJRKW-ZFWWWQNUSA-N 0 0 249.398 3.605 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000528698842 388559472 /nfs/dbraw/zinc/55/94/72/388559472.db2.gz BHGJJIORFQHNET-FPMFFAJLSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000528698847 388559576 /nfs/dbraw/zinc/55/95/76/388559576.db2.gz BHGJJIORFQHNET-IACUBPJLSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000528698850 519102679 /nfs/dbraw/zinc/10/26/79/519102679.db2.gz BHGJJIORFQHNET-KWCYVHTRSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000528698852 262966050 /nfs/dbraw/zinc/96/60/50/262966050.db2.gz BHGJJIORFQHNET-MRVWCRGKSA-N 0 0 243.350 3.534 20 0 BHADRN CCC[C@@]1(C)CCCN(C(=O)c2cocc2C)C1 ZINC000528700908 388559985 /nfs/dbraw/zinc/55/99/85/388559985.db2.gz DSIKYLDLNKKDRJ-HNNXBMFYSA-N 0 0 249.354 3.630 20 0 BHADRN CCC[C@]1(C)CCCN(C(=O)c2cocc2C)C1 ZINC000528700910 519087595 /nfs/dbraw/zinc/08/75/95/519087595.db2.gz DSIKYLDLNKKDRJ-OAHLLOKOSA-N 0 0 249.354 3.630 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@H]1CCCC12CC2 ZINC000528703047 388559669 /nfs/dbraw/zinc/55/96/69/388559669.db2.gz MAAMXQMVQXGWKS-CYBMUJFWSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC12CC2 ZINC000528703048 388559392 /nfs/dbraw/zinc/55/93/92/388559392.db2.gz MAAMXQMVQXGWKS-ZDUSSCGKSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1c(F)cccc1NC(=O)[C@H]1CCCC12CC2 ZINC000528726334 387047443 /nfs/dbraw/zinc/04/74/43/387047443.db2.gz GUJFJNPLUPIINE-LLVKDONJSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1c(F)cccc1NC(=O)[C@@H]1CCCC12CC2 ZINC000528726335 262774446 /nfs/dbraw/zinc/77/44/46/262774446.db2.gz GUJFJNPLUPIINE-NSHDSACASA-N 0 0 247.313 3.653 20 0 BHADRN Cc1cccc([C@H](NCC(F)F)C(C)C)c1 ZINC000528763625 388569394 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/nfs/dbraw/zinc/57/24/65/388572465.db2.gz MDVSXVMTRSIHHV-MFKMUULPSA-N 0 0 249.354 3.533 20 0 BHADRN Cc1cocc1C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000528783245 323774184 /nfs/dbraw/zinc/77/41/84/323774184.db2.gz MDVSXVMTRSIHHV-ZWNOBZJWSA-N 0 0 249.354 3.533 20 0 BHADRN CC[C@@H](NCC(F)F)c1cc(C)ccc1C ZINC000528798620 388574767 /nfs/dbraw/zinc/57/47/67/388574767.db2.gz GRLGFJAWPKMWJA-GFCCVEGCSA-N 0 0 227.298 3.609 20 0 BHADRN CC[C@H](NCC(F)F)c1cc(C)ccc1C ZINC000528798623 388574917 /nfs/dbraw/zinc/57/49/17/388574917.db2.gz GRLGFJAWPKMWJA-LBPRGKRZSA-N 0 0 227.298 3.609 20 0 BHADRN Cc1cocc1C(=O)N(C)C1CCC(C)(C)CC1 ZINC000528809527 262975605 /nfs/dbraw/zinc/97/56/05/262975605.db2.gz FNNQQAJMVRDVAO-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN CCC[C@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000528813431 388575463 /nfs/dbraw/zinc/57/54/63/388575463.db2.gz JBXQYCODDHUYNO-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000528813434 262975950 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Cc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)oc1C ZINC000532278280 323214419 /nfs/dbraw/zinc/21/44/19/323214419.db2.gz VBKHHSRTZRCKIS-LLVKDONJSA-N 0 0 249.354 3.546 20 0 BHADRN Cc1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)oc1C ZINC000532278281 323214489 /nfs/dbraw/zinc/21/44/89/323214489.db2.gz VBKHHSRTZRCKIS-NSHDSACASA-N 0 0 249.354 3.546 20 0 BHADRN Cc1cc(C)cc(CSCC(F)F)c1 ZINC000532286752 323213625 /nfs/dbraw/zinc/21/36/25/323213625.db2.gz RTAATTXYBYBKBT-UHFFFAOYSA-N 0 0 216.296 3.802 20 0 BHADRN CC[C@H](C)CSc1n[nH]c(-c2ccccc2)n1 ZINC000532287002 323213591 /nfs/dbraw/zinc/21/35/91/323213591.db2.gz KZZCINGPWKPBMR-JTQLQIEISA-N 0 0 247.367 3.610 20 0 BHADRN CC[C@@H](C)CSc1n[nH]c(-c2ccccc2)n1 ZINC000532287003 323213546 /nfs/dbraw/zinc/21/35/46/323213546.db2.gz KZZCINGPWKPBMR-SNVBAGLBSA-N 0 0 247.367 3.610 20 0 BHADRN C[C@@H](N(C)c1ncccc1Cl)C(C)(C)C ZINC000532288878 323213685 /nfs/dbraw/zinc/21/36/85/323213685.db2.gz KLXMJQQUHMEBLW-SECBINFHSA-N 0 0 226.751 3.606 20 0 BHADRN C[C@H](N(C)c1ncccc1Cl)C(C)(C)C 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245.366 3.569 20 0 BHADRN Cc1cccc(N(CC2CCOCC2)C(C)C)c1 ZINC000533365551 398188607 /nfs/dbraw/zinc/18/86/07/398188607.db2.gz HBYXJHSLACCHEN-UHFFFAOYSA-N 0 0 247.382 3.636 20 0 BHADRN Cc1cccc(N(CCOCC2CC2)C(C)C)c1 ZINC000533365982 398188643 /nfs/dbraw/zinc/18/86/43/398188643.db2.gz FOSUWMSIOURBPZ-UHFFFAOYSA-N 0 0 247.382 3.636 20 0 BHADRN CN(C/C=C/c1ccccc1)c1cccc(O)c1 ZINC000533379909 322817694 /nfs/dbraw/zinc/81/76/94/322817694.db2.gz FGJQBOMAYKJEMC-RMKNXTFCSA-N 0 0 239.318 3.542 20 0 BHADRN CN(C/C=C\c1ccccc1)c1cccc(O)c1 ZINC000533379911 322817689 /nfs/dbraw/zinc/81/76/89/322817689.db2.gz FGJQBOMAYKJEMC-TWGQIWQCSA-N 0 0 239.318 3.542 20 0 BHADRN Cc1cc(CN(C)c2cccc(O)c2)c(C)s1 ZINC000533380976 384246551 /nfs/dbraw/zinc/24/65/51/384246551.db2.gz NXABZMAJUKYHHZ-UHFFFAOYSA-N 0 0 247.363 3.707 20 0 BHADRN c1cc(CN(c2ccccc2)C2CCCC2)on1 ZINC000533383721 322817731 /nfs/dbraw/zinc/81/77/31/322817731.db2.gz GSUQUCZJXRQLLC-UHFFFAOYSA-N 0 0 242.322 3.624 20 0 BHADRN CCOc1ccccc1OCCc1ccccc1 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247.382 3.636 20 0 BHADRN Cc1ccccc1N(C[C@@H]1CCCOC1)C(C)C ZINC000533513859 384444389 /nfs/dbraw/zinc/44/43/89/384444389.db2.gz YUSKDIYWSXWDKA-HNNXBMFYSA-N 0 0 247.382 3.636 20 0 BHADRN Cc1ccccc1N(C[C@H]1CCCOC1)C(C)C ZINC000533513860 384445898 /nfs/dbraw/zinc/44/58/98/384445898.db2.gz YUSKDIYWSXWDKA-OAHLLOKOSA-N 0 0 247.382 3.636 20 0 BHADRN CN(Cc1ccccc1Cl)c1cccc(O)c1 ZINC000533516011 384450008 /nfs/dbraw/zinc/45/00/08/384450008.db2.gz BEEBRTIIWJUKAC-UHFFFAOYSA-N 0 0 247.725 3.682 20 0 BHADRN Cc1cccc(C)c1CN(C)c1cccc(O)c1 ZINC000533517744 384448610 /nfs/dbraw/zinc/44/86/10/384448610.db2.gz GWKZMEHHTVVJQS-UHFFFAOYSA-N 0 0 241.334 3.645 20 0 BHADRN CN(Cc1cccc(Cl)c1)c1cccc(O)c1 ZINC000533519042 384451050 /nfs/dbraw/zinc/45/10/50/384451050.db2.gz MUPVSVBATYDNLT-UHFFFAOYSA-N 0 0 247.725 3.682 20 0 BHADRN CCc1cccc2c1N(CCC(F)(F)F)CC2 ZINC000533523627 409660594 /nfs/dbraw/zinc/66/05/94/409660594.db2.gz AEIRSHJYXDNFHI-UHFFFAOYSA-N 0 0 243.272 3.564 20 0 BHADRN CC[C@@](C)(NCc1ccc(F)cc1)C(F)(F)F 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239.403 3.707 20 0 BHADRN CCCN(CCC)C(=O)c1c(C)cc(C)cc1C ZINC000534139077 323113855 /nfs/dbraw/zinc/11/38/55/323113855.db2.gz JVZKJJHOCOGYAP-UHFFFAOYSA-N 0 0 247.382 3.874 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CC=CCC1 ZINC000534139097 323113822 /nfs/dbraw/zinc/11/38/22/323113822.db2.gz KMLXZLLQABONPC-CHWSQXEVSA-N 0 0 237.387 3.531 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)NC[C@H]1CC=CCC1 ZINC000534139098 323113908 /nfs/dbraw/zinc/11/39/08/323113908.db2.gz KMLXZLLQABONPC-OLZOCXBDSA-N 0 0 237.387 3.531 20 0 BHADRN CCC(CC)[C@H](C)C(=O)NC[C@@H]1CC=CCC1 ZINC000534139099 323113897 /nfs/dbraw/zinc/11/38/97/323113897.db2.gz KMLXZLLQABONPC-QWHCGFSZSA-N 0 0 237.387 3.531 20 0 BHADRN CCC(CC)[C@H](C)C(=O)NC[C@H]1CC=CCC1 ZINC000534139100 323113898 /nfs/dbraw/zinc/11/38/98/323113898.db2.gz KMLXZLLQABONPC-STQMWFEESA-N 0 0 237.387 3.531 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)NC1(C)CCCCC1 ZINC000534139634 323114269 /nfs/dbraw/zinc/11/42/69/323114269.db2.gz YTQWMSOSAKNNAB-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN 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ZINC000534146116 323114012 /nfs/dbraw/zinc/11/40/12/323114012.db2.gz NDXPHHDWBZCRIZ-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N[C@H]1CCCC1(C)C ZINC000534150046 323114076 /nfs/dbraw/zinc/11/40/76/323114076.db2.gz IUYKKXOLBRLDPC-AAEUAGOBSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N[C@@H]1CCCC1(C)C ZINC000534150047 323114137 /nfs/dbraw/zinc/11/41/37/323114137.db2.gz IUYKKXOLBRLDPC-DGCLKSJQSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N[C@@H]1CCCC1(C)C ZINC000534150048 323114103 /nfs/dbraw/zinc/11/41/03/323114103.db2.gz IUYKKXOLBRLDPC-WCQYABFASA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N[C@H]1CCCC1(C)C ZINC000534150049 323114143 /nfs/dbraw/zinc/11/41/43/323114143.db2.gz IUYKKXOLBRLDPC-YPMHNXCESA-N 0 0 239.403 3.754 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N[C@H](C)[C@@H](C)CC ZINC000534154724 323114138 /nfs/dbraw/zinc/11/41/38/323114138.db2.gz SCQOZOFXNKOBFP-QJPTWQEYSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N[C@H](C)[C@@H](C)CC 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CC(C)OCCCOc1cc(Cl)ccc1F ZINC000535260716 323169253 /nfs/dbraw/zinc/16/92/53/323169253.db2.gz IZBIGMPESDBRJR-UHFFFAOYSA-N 0 0 246.709 3.673 20 0 BHADRN CC(C)(C)OCCOc1cc(Cl)ccc1F ZINC000535262300 323169289 /nfs/dbraw/zinc/16/92/89/323169289.db2.gz PARXPNJHYIBSRD-UHFFFAOYSA-N 0 0 246.709 3.673 20 0 BHADRN Fc1ccc(Cl)cc1OCCC(F)(F)F ZINC000535263117 323169331 /nfs/dbraw/zinc/16/93/31/323169331.db2.gz UUQWHIFWFIVBBJ-UHFFFAOYSA-N 0 0 242.599 3.810 20 0 BHADRN CCC(CC)CNC(=O)C(C)(C)C1CCCC1 ZINC000535300286 487604912 /nfs/dbraw/zinc/60/49/12/487604912.db2.gz ZCGQLJLYESTBOJ-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN O=C(CC1CCCCC1)NCC12CCC(CC1)C2 ZINC000535306675 323170345 /nfs/dbraw/zinc/17/03/45/323170345.db2.gz GIUBQPNSALSRLJ-UHFFFAOYSA-N 0 0 249.398 3.653 20 0 BHADRN CCC[C@](C)(CC)C(=O)NC[C@H]1CCC[C@@H]1C ZINC000535330166 323170796 /nfs/dbraw/zinc/17/07/96/323170796.db2.gz NHNXOFXDAVIDNK-GUTXKFCHSA-N 0 0 239.403 3.755 20 0 BHADRN CCC[C@](C)(CC)C(=O)NC[C@@H]1CCC[C@H]1C ZINC000535330181 323170868 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3.920 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N(CC(C)C)C(C)C ZINC000535587499 323186513 /nfs/dbraw/zinc/18/65/13/323186513.db2.gz PZTPSPZUYMHFCL-CYBMUJFWSA-N 0 0 241.419 3.952 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N(CC(C)C)C(C)C ZINC000535587500 323186519 /nfs/dbraw/zinc/18/65/19/323186519.db2.gz PZTPSPZUYMHFCL-ZDUSSCGKSA-N 0 0 241.419 3.952 20 0 BHADRN CCCN(CCC)C(=O)[C@H](C)C(CC)CC ZINC000535588314 323186431 /nfs/dbraw/zinc/18/64/31/323186431.db2.gz OSEATKBZEBIUCV-GFCCVEGCSA-N 0 0 227.392 3.707 20 0 BHADRN CCCN(CCC)C(=O)[C@@H](C)C(CC)CC ZINC000535588319 323186481 /nfs/dbraw/zinc/18/64/81/323186481.db2.gz OSEATKBZEBIUCV-LBPRGKRZSA-N 0 0 227.392 3.707 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000535590092 323186424 /nfs/dbraw/zinc/18/64/24/323186424.db2.gz IFMQFVSQZCXUMW-GFCCVEGCSA-N 0 0 245.366 3.648 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000535590093 323186412 /nfs/dbraw/zinc/18/64/12/323186412.db2.gz IFMQFVSQZCXUMW-LBPRGKRZSA-N 0 0 245.366 3.648 20 0 BHADRN 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ZINC000535596905 323186623 /nfs/dbraw/zinc/18/66/23/323186623.db2.gz CVBBCSYYNSDOJP-NEPJUHHUSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N[C@@H](C)CC(C)C ZINC000535596912 323186617 /nfs/dbraw/zinc/18/66/17/323186617.db2.gz CVBBCSYYNSDOJP-NWDGAFQWSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N[C@@H](C)CC(C)C ZINC000535596915 323186561 /nfs/dbraw/zinc/18/65/61/323186561.db2.gz CVBBCSYYNSDOJP-RYUDHWBXSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N[C@H](C)CC(C)C ZINC000535596919 323186578 /nfs/dbraw/zinc/18/65/78/323186578.db2.gz CVBBCSYYNSDOJP-VXGBXAGGSA-N 0 0 227.392 3.610 20 0 BHADRN CCc1cccnc1NC(=O)[C@H](C)C(CC)CC ZINC000535597554 323186590 /nfs/dbraw/zinc/18/65/90/323186590.db2.gz HKLOACLWJOTYOA-LLVKDONJSA-N 0 0 248.370 3.655 20 0 BHADRN CCc1cccnc1NC(=O)[C@@H](C)C(CC)CC ZINC000535597569 323186542 /nfs/dbraw/zinc/18/65/42/323186542.db2.gz HKLOACLWJOTYOA-NSHDSACASA-N 0 0 248.370 3.655 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)NC1(CC)CCC1 ZINC000535597843 323186572 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3.652 20 0 BHADRN CC(C)(C)CCC(=O)N[C@H]1CC12CCCCC2 ZINC000536532127 346541470 /nfs/dbraw/zinc/54/14/70/346541470.db2.gz BAPIGRQCNQTKOY-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](C(=O)N[C@H]1CC12CCCCC2)C(C)(C)C ZINC000536532206 346541525 /nfs/dbraw/zinc/54/15/25/346541525.db2.gz GJMFSPBLNLHCHS-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](C(=O)N[C@@H]1CC12CCCCC2)C(C)(C)C ZINC000536532207 346541610 /nfs/dbraw/zinc/54/16/10/346541610.db2.gz GJMFSPBLNLHCHS-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](C(=O)N[C@H]1CC12CCCCC2)C(C)(C)C ZINC000536532208 346541602 /nfs/dbraw/zinc/54/16/02/346541602.db2.gz GJMFSPBLNLHCHS-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](C(=O)N[C@@H]1CC12CCCCC2)C(C)(C)C ZINC000536532209 346541847 /nfs/dbraw/zinc/54/18/47/346541847.db2.gz GJMFSPBLNLHCHS-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN C1CC(c2nc(C3CCCCCC3)no2)C1 ZINC000536550720 323197276 /nfs/dbraw/zinc/19/72/76/323197276.db2.gz YIYQHZHUIXJUCQ-UHFFFAOYSA-N 0 0 220.316 3.775 20 0 BHADRN CCCc1ccc(C(=O)NC(C)(C)C2CC2)cc1 ZINC000536566004 323197708 /nfs/dbraw/zinc/19/77/08/323197708.db2.gz MXGOCMHLGZNUJH-UHFFFAOYSA-N 0 0 245.366 3.558 20 0 BHADRN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)o1 ZINC000536662858 323199826 /nfs/dbraw/zinc/19/98/26/323199826.db2.gz DPFZMWUOLMWJFR-NMKXLXIOSA-N 0 0 233.355 3.633 20 0 BHADRN C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)o1 ZINC000536662859 323199880 /nfs/dbraw/zinc/19/98/80/323199880.db2.gz DPFZMWUOLMWJFR-NRWUCQMLSA-N 0 0 233.355 3.633 20 0 BHADRN C[C@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)o1 ZINC000536662860 323199837 /nfs/dbraw/zinc/19/98/37/323199837.db2.gz DPFZMWUOLMWJFR-OWTLIXCDSA-N 0 0 233.355 3.633 20 0 BHADRN C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)o1 ZINC000536662861 323199735 /nfs/dbraw/zinc/19/97/35/323199735.db2.gz DPFZMWUOLMWJFR-UHXUPSOCSA-N 0 0 233.355 3.633 20 0 BHADRN CC1=CCN(Cc2ccc(Cl)s2)CC1 ZINC000536668954 323200336 /nfs/dbraw/zinc/20/03/36/323200336.db2.gz ULRJVGTXWZYHCP-UHFFFAOYSA-N 0 0 227.760 3.554 20 0 BHADRN CC1(C)CCN1Cc1cccc(Cl)c1Cl ZINC000536681040 323200896 /nfs/dbraw/zinc/20/08/96/323200896.db2.gz JXAOFUZBAYBAMT-UHFFFAOYSA-N 0 0 244.165 3.978 20 0 BHADRN C[C@@H]1C[C@@H](C)N(c2nccc3ccc(F)cc32)C1 ZINC000536707760 323201644 /nfs/dbraw/zinc/20/16/44/323201644.db2.gz PPFJWVHRRMGFRL-GHMZBOCLSA-N 0 0 244.313 3.609 20 0 BHADRN C[C@@H]1C[C@H](C)N(c2nccc3ccc(F)cc32)C1 ZINC000536707761 323201786 /nfs/dbraw/zinc/20/17/86/323201786.db2.gz PPFJWVHRRMGFRL-MNOVXSKESA-N 0 0 244.313 3.609 20 0 BHADRN C[C@H]1C[C@H](C)N(c2nccc3ccc(F)cc32)C1 ZINC000536707762 323201663 /nfs/dbraw/zinc/20/16/63/323201663.db2.gz PPFJWVHRRMGFRL-QWRGUYRKSA-N 0 0 244.313 3.609 20 0 BHADRN C[C@@H]1C[C@H](C)CN1c1nccc2ccc(F)cc21 ZINC000536707763 323201737 /nfs/dbraw/zinc/20/17/37/323201737.db2.gz PPFJWVHRRMGFRL-WDEREUQCSA-N 0 0 244.313 3.609 20 0 BHADRN CCc1ccc(NC(=O)N(CC)C(C)C)cc1C ZINC000536719606 323201906 /nfs/dbraw/zinc/20/19/06/323201906.db2.gz HVLDCMYCYSTYFN-UHFFFAOYSA-N 0 0 248.370 3.820 20 0 BHADRN CCc1ccc(NC(=O)NC(CC)CC)cc1C ZINC000536720319 323201816 /nfs/dbraw/zinc/20/18/16/323201816.db2.gz CHFHVJKMYKVWMN-UHFFFAOYSA-N 0 0 248.370 3.868 20 0 BHADRN CCc1ccc(NC(=O)NC2(C)CCC2)cc1C ZINC000536720393 323201810 /nfs/dbraw/zinc/20/18/10/323201810.db2.gz FIPQIFQKKMGEIB-UHFFFAOYSA-N 0 0 246.354 3.622 20 0 BHADRN c1ccc(-c2ccc(OCC3CC3)cn2)cc1 ZINC000536731146 323202397 /nfs/dbraw/zinc/20/23/97/323202397.db2.gz JAGSXGLTYIVPSS-UHFFFAOYSA-N 0 0 225.291 3.537 20 0 BHADRN CC[C@H](C)CNc1ccc(-c2csnn2)cc1 ZINC000536755574 323204511 /nfs/dbraw/zinc/20/45/11/323204511.db2.gz IRUZDSCYCLAWHF-JTQLQIEISA-N 0 0 247.367 3.663 20 0 BHADRN CC[C@@H](C)CNc1ccc(-c2csnn2)cc1 ZINC000536755586 323204557 /nfs/dbraw/zinc/20/45/57/323204557.db2.gz IRUZDSCYCLAWHF-SNVBAGLBSA-N 0 0 247.367 3.663 20 0 BHADRN CCN(Cc1ncccc1C)c1cccc(C)c1 ZINC000536757144 323204697 /nfs/dbraw/zinc/20/46/97/323204697.db2.gz RLFHQRRYMKUDRX-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN CC[C@@H](C)CNc1ccc2cnn(CC)c2c1 ZINC000536757850 323204594 /nfs/dbraw/zinc/20/45/94/323204594.db2.gz ZNJQYONTUPYQEW-LLVKDONJSA-N 0 0 231.343 3.514 20 0 BHADRN CC[C@H](C)CNc1ccc2cnn(CC)c2c1 ZINC000536757855 323204625 /nfs/dbraw/zinc/20/46/25/323204625.db2.gz ZNJQYONTUPYQEW-NSHDSACASA-N 0 0 231.343 3.514 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1nc2cc(F)ccc2o1 ZINC000536765846 323204859 /nfs/dbraw/zinc/20/48/59/323204859.db2.gz BLXQBCCACOXLCK-GXSJLCMTSA-N 0 0 248.301 3.734 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1nc2cc(F)ccc2o1 ZINC000536765864 323204746 /nfs/dbraw/zinc/20/47/46/323204746.db2.gz BLXQBCCACOXLCK-KOLCDFICSA-N 0 0 248.301 3.734 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1nc2cc(F)ccc2o1 ZINC000536765867 323204845 /nfs/dbraw/zinc/20/48/45/323204845.db2.gz BLXQBCCACOXLCK-MWLCHTKSSA-N 0 0 248.301 3.734 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1nc2cc(F)ccc2o1 ZINC000536765870 323204823 /nfs/dbraw/zinc/20/48/23/323204823.db2.gz BLXQBCCACOXLCK-ONGXEEELSA-N 0 0 248.301 3.734 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)CCCC(C)(C)C ZINC000536779198 323205854 /nfs/dbraw/zinc/20/58/54/323205854.db2.gz QCZPAZJGDWUQHK-CHWSQXEVSA-N 0 0 239.403 3.992 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)CCCC(C)(C)C ZINC000536779219 323205851 /nfs/dbraw/zinc/20/58/51/323205851.db2.gz QCZPAZJGDWUQHK-OLZOCXBDSA-N 0 0 239.403 3.992 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)CCCC(C)(C)C ZINC000536779222 323205911 /nfs/dbraw/zinc/20/59/11/323205911.db2.gz QCZPAZJGDWUQHK-QWHCGFSZSA-N 0 0 239.403 3.992 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)CCCC(C)(C)C ZINC000536779224 323205837 /nfs/dbraw/zinc/20/58/37/323205837.db2.gz QCZPAZJGDWUQHK-STQMWFEESA-N 0 0 239.403 3.992 20 0 BHADRN CCC[C@H](C)CC(=O)N1[C@@H](C)CC[C@@H]1CC ZINC000536780166 323205811 /nfs/dbraw/zinc/20/58/11/323205811.db2.gz VLCIEVHOCGDFPG-AVGNSLFASA-N 0 0 225.376 3.602 20 0 BHADRN CCC[C@H](C)CC(=O)N1[C@H](CC)CC[C@@H]1C ZINC000536780172 323205809 /nfs/dbraw/zinc/20/58/09/323205809.db2.gz VLCIEVHOCGDFPG-RWMBFGLXSA-N 0 0 225.376 3.602 20 0 BHADRN CCC[C@H](C)CC(=O)N1[C@H](C)CC[C@@H]1CC ZINC000536780175 323205767 /nfs/dbraw/zinc/20/57/67/323205767.db2.gz VLCIEVHOCGDFPG-XQQFMLRXSA-N 0 0 225.376 3.602 20 0 BHADRN CCC[C@H](C)CC(=O)N1[C@H](C)CC[C@H]1CC ZINC000536780176 323205721 /nfs/dbraw/zinc/20/57/21/323205721.db2.gz VLCIEVHOCGDFPG-YNEHKIRRSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)C1CCCCCC1 ZINC000536780968 323205744 /nfs/dbraw/zinc/20/57/44/323205744.db2.gz ZMQHATOZNNSMOF-GXTWGEPZSA-N 0 0 237.387 3.746 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)C1CCCCCC1 ZINC000536780989 323205795 /nfs/dbraw/zinc/20/57/95/323205795.db2.gz ZMQHATOZNNSMOF-JSGCOSHPSA-N 0 0 237.387 3.746 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)C1CCCCCC1 ZINC000536780990 323205819 /nfs/dbraw/zinc/20/58/19/323205819.db2.gz ZMQHATOZNNSMOF-OCCSQVGLSA-N 0 0 237.387 3.746 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)C1CCCCCC1 ZINC000536780991 323205735 /nfs/dbraw/zinc/20/57/35/323205735.db2.gz ZMQHATOZNNSMOF-TZMCWYRMSA-N 0 0 237.387 3.746 20 0 BHADRN CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000536855227 387582860 /nfs/dbraw/zinc/58/28/60/387582860.db2.gz ZWCCCIIKHSOMAU-GXTWGEPZSA-N 0 0 249.402 3.592 20 0 BHADRN CC(C)CCC[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000536855240 387582951 /nfs/dbraw/zinc/58/29/51/387582951.db2.gz ZWCCCIIKHSOMAU-JSGCOSHPSA-N 0 0 249.402 3.592 20 0 BHADRN CC(C)CCC[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000536855241 387582963 /nfs/dbraw/zinc/58/29/63/387582963.db2.gz ZWCCCIIKHSOMAU-OCCSQVGLSA-N 0 0 249.402 3.592 20 0 BHADRN CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000536855242 387583277 /nfs/dbraw/zinc/58/32/77/387583277.db2.gz ZWCCCIIKHSOMAU-TZMCWYRMSA-N 0 0 249.402 3.592 20 0 BHADRN Fc1ccc(C2CC2)cc1C(F)(F)F ZINC000536957002 360008360 /nfs/dbraw/zinc/00/83/60/360008360.db2.gz BSIDOSMFXRIOOK-UHFFFAOYSA-N 0 0 204.166 3.722 20 0 BHADRN C[C@@H](c1ccc(Cl)cc1)N1CCC=C(F)C1 ZINC000536994367 387135807 /nfs/dbraw/zinc/13/58/07/387135807.db2.gz TVLPEPYWNAWGCT-JTQLQIEISA-N 0 0 239.721 3.960 20 0 BHADRN C[C@H](c1ccc(Cl)cc1)N1CCC=C(F)C1 ZINC000536994368 387136682 /nfs/dbraw/zinc/13/66/82/387136682.db2.gz TVLPEPYWNAWGCT-SNVBAGLBSA-N 0 0 239.721 3.960 20 0 BHADRN CCCCC[S@](=O)CCC(C)(C)CC ZINC000536995986 323926541 /nfs/dbraw/zinc/92/65/41/323926541.db2.gz XQDIDJWERGUMPT-AWEZNQCLSA-N 0 0 218.406 3.752 20 0 BHADRN CCCCC[S@@](=O)CCC(C)(C)CC ZINC000536995987 323926002 /nfs/dbraw/zinc/92/60/02/323926002.db2.gz XQDIDJWERGUMPT-CQSZACIVSA-N 0 0 218.406 3.752 20 0 BHADRN CCCCC[S@](=O)Cc1c(C)cccc1C ZINC000536996146 323927477 /nfs/dbraw/zinc/92/74/77/323927477.db2.gz HOAJECLKEUXEGI-INIZCTEOSA-N 0 0 238.396 3.742 20 0 BHADRN CCCCC[S@@](=O)Cc1c(C)cccc1C ZINC000536996147 323927627 /nfs/dbraw/zinc/92/76/27/323927627.db2.gz HOAJECLKEUXEGI-MRXNPFEDSA-N 0 0 238.396 3.742 20 0 BHADRN FC1=CCCN(Cc2cccc3ccccc32)C1 ZINC000536997001 387136165 /nfs/dbraw/zinc/13/61/65/387136165.db2.gz UIEIMHYISUADNS-UHFFFAOYSA-N 0 0 241.309 3.899 20 0 BHADRN C[C@@H](c1cccc(Cl)c1)N1CCC=C(F)C1 ZINC000536997770 387135727 /nfs/dbraw/zinc/13/57/27/387135727.db2.gz OUBKMKQSFPONDL-JTQLQIEISA-N 0 0 239.721 3.960 20 0 BHADRN C[C@H](c1cccc(Cl)c1)N1CCC=C(F)C1 ZINC000536997771 387136783 /nfs/dbraw/zinc/13/67/83/387136783.db2.gz OUBKMKQSFPONDL-SNVBAGLBSA-N 0 0 239.721 3.960 20 0 BHADRN CCc1ccc(NCc2ccn(C)c2)cc1CC ZINC000537023068 323976394 /nfs/dbraw/zinc/97/63/94/323976394.db2.gz JPLBXGRDGQVWIE-UHFFFAOYSA-N 0 0 242.366 3.762 20 0 BHADRN CCCCCSc1cc(C)nc(C2CC2)n1 ZINC000537030536 323987191 /nfs/dbraw/zinc/98/71/91/323987191.db2.gz UPLNMORYADQDTC-UHFFFAOYSA-N 0 0 236.384 3.945 20 0 BHADRN CCCCCSc1cc(C(C)C)ncn1 ZINC000537035419 517557510 /nfs/dbraw/zinc/55/75/10/517557510.db2.gz FJRGEXOJIJNWFT-UHFFFAOYSA-N 0 0 224.373 3.882 20 0 BHADRN CCCCCSCc1cn2ccsc2n1 ZINC000537046253 323999392 /nfs/dbraw/zinc/99/93/92/323999392.db2.gz YOIVMWUMFOHRRR-UHFFFAOYSA-N 0 0 240.397 3.819 20 0 BHADRN CCCCCSCc1nc2ccccc2[nH]1 ZINC000537046721 387201849 /nfs/dbraw/zinc/20/18/49/387201849.db2.gz CDNKUYOSULFRKX-UHFFFAOYSA-N 0 0 234.368 3.986 20 0 BHADRN CCCCCSCc1cc(OC)cc(C)n1 ZINC000537048082 324001473 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JSTCLFRNWXETNK-UHFFFAOYSA-N 0 0 233.355 3.796 20 0 BHADRN Cc1c(NCc2ccccc2)cccc1N(C)C ZINC000537200038 324031100 /nfs/dbraw/zinc/03/11/00/324031100.db2.gz ZPBMKTNXODOJGX-UHFFFAOYSA-N 0 0 240.350 3.673 20 0 BHADRN CC(C)[C@@H]1CCN1C(=O)CCCC1CCCC1 ZINC000537251386 324062170 /nfs/dbraw/zinc/06/21/70/324062170.db2.gz VLZQGPYWRVHNKT-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)[C@H]1CCN1C(=O)CCCC1CCCC1 ZINC000537251387 324062141 /nfs/dbraw/zinc/06/21/41/324062141.db2.gz VLZQGPYWRVHNKT-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CCCN(C(=O)CC1CCCCCC1)C1CC1 ZINC000537260487 324063920 /nfs/dbraw/zinc/06/39/20/324063920.db2.gz VUWPLUNXWULBLA-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN Cc1ccccc1[C@H](NCC(F)(F)F)C1CC1 ZINC000537291239 324063047 /nfs/dbraw/zinc/06/30/47/324063047.db2.gz NFXVQIKTTNAYHJ-GFCCVEGCSA-N 0 0 243.272 3.598 20 0 BHADRN Cc1ccccc1[C@@H](NCC(F)(F)F)C1CC1 ZINC000537291248 324063068 /nfs/dbraw/zinc/06/30/68/324063068.db2.gz NFXVQIKTTNAYHJ-LBPRGKRZSA-N 0 0 243.272 3.598 20 0 BHADRN CCC(CC)NC(=O)c1cccc(C2CCC2)c1 ZINC000537300695 324064061 /nfs/dbraw/zinc/06/40/61/324064061.db2.gz YVYDJWCSUPNIII-UHFFFAOYSA-N 0 0 245.366 3.873 20 0 BHADRN CCCc1occc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000537300708 324063822 /nfs/dbraw/zinc/06/38/22/324063822.db2.gz ACMUDZLSCKVEDY-AAEUAGOBSA-N 0 0 249.354 3.541 20 0 BHADRN CCCc1occc1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000537300709 324064104 /nfs/dbraw/zinc/06/41/04/324064104.db2.gz ACMUDZLSCKVEDY-DGCLKSJQSA-N 0 0 249.354 3.541 20 0 BHADRN CCCc1occc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000537300710 324063787 /nfs/dbraw/zinc/06/37/87/324063787.db2.gz ACMUDZLSCKVEDY-WCQYABFASA-N 0 0 249.354 3.541 20 0 BHADRN CCCc1occc1C(=O)N[C@H]1CCCC[C@H]1C ZINC000537300711 324064076 /nfs/dbraw/zinc/06/40/76/324064076.db2.gz ACMUDZLSCKVEDY-YPMHNXCESA-N 0 0 249.354 3.541 20 0 BHADRN c1cc2c(c(NC3CCCCC3)c1)OCCC2 ZINC000537312626 324064534 /nfs/dbraw/zinc/06/45/34/324064534.db2.gz TYNWBFXOKBPSCS-UHFFFAOYSA-N 0 0 231.339 3.756 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC[C@H](C)C2)c1F ZINC000537313592 324064674 /nfs/dbraw/zinc/06/46/74/324064674.db2.gz GGRGSBCWXCMFLG-CMPLNLGQSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCC[C@H](C)C2)c1F ZINC000537313597 324064720 /nfs/dbraw/zinc/06/47/20/324064720.db2.gz GGRGSBCWXCMFLG-JQWIXIFHSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1F ZINC000537313599 324064760 /nfs/dbraw/zinc/06/47/60/324064760.db2.gz GGRGSBCWXCMFLG-PWSUYJOCSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1F ZINC000537313601 324064514 /nfs/dbraw/zinc/06/45/14/324064514.db2.gz GGRGSBCWXCMFLG-ZYHUDNBSSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CC23CCCC3)c1F ZINC000537314049 324064889 /nfs/dbraw/zinc/06/48/89/324064889.db2.gz IKTPYLJVDMJYTF-LLVKDONJSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC23CCCC3)c1F ZINC000537314067 324064866 /nfs/dbraw/zinc/06/48/66/324064866.db2.gz IKTPYLJVDMJYTF-NSHDSACASA-N 0 0 247.313 3.653 20 0 BHADRN 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/nfs/dbraw/zinc/06/97/10/324069710.db2.gz FGUHYDDTNFBJJF-GFCCVEGCSA-N 0 0 239.309 3.521 20 0 BHADRN CC[C@@H](CN1CCC(F)(F)C1)c1ccccc1 ZINC000537388413 324069257 /nfs/dbraw/zinc/06/92/57/324069257.db2.gz FGUHYDDTNFBJJF-LBPRGKRZSA-N 0 0 239.309 3.521 20 0 BHADRN CC(C)(C)CNc1cncc(-c2ccccc2)n1 ZINC000537395264 324070786 /nfs/dbraw/zinc/07/07/86/324070786.db2.gz VKMMWZABPGWMLS-UHFFFAOYSA-N 0 0 241.338 3.602 20 0 BHADRN CCOc1cccc(N[C@@H](C(C)C)C2CC2)c1 ZINC000537399378 324070604 /nfs/dbraw/zinc/07/06/04/324070604.db2.gz SDJGGDWHMNGPRA-HNNXBMFYSA-N 0 0 233.355 3.932 20 0 BHADRN CCOc1cccc(N[C@H](C(C)C)C2CC2)c1 ZINC000537399386 324070420 /nfs/dbraw/zinc/07/04/20/324070420.db2.gz SDJGGDWHMNGPRA-OAHLLOKOSA-N 0 0 233.355 3.932 20 0 BHADRN CCc1ccccc1N[C@@H](CC)C1CCOCC1 ZINC000537406447 324068884 /nfs/dbraw/zinc/06/88/84/324068884.db2.gz FYMUKWOSCBVSDE-HNNXBMFYSA-N 0 0 247.382 3.866 20 0 BHADRN CCc1ccccc1N[C@H](CC)C1CCOCC1 ZINC000537406450 324068780 /nfs/dbraw/zinc/06/87/80/324068780.db2.gz FYMUKWOSCBVSDE-OAHLLOKOSA-N 0 0 247.382 3.866 20 0 BHADRN Cc1cccc(N[C@H](C)C2CCOCC2)c1C ZINC000537408567 324068847 /nfs/dbraw/zinc/06/88/47/324068847.db2.gz HNAXQQLZSMHUIF-CYBMUJFWSA-N 0 0 233.355 3.530 20 0 BHADRN Cc1cccc(N[C@@H](C)C2CCOCC2)c1C ZINC000537408570 324068828 /nfs/dbraw/zinc/06/88/28/324068828.db2.gz HNAXQQLZSMHUIF-ZDUSSCGKSA-N 0 0 233.355 3.530 20 0 BHADRN CCc1cccc(N[C@@H](CC)C2CCOCC2)c1 ZINC000537409395 324068850 /nfs/dbraw/zinc/06/88/50/324068850.db2.gz LQQJKVROHUJJCK-INIZCTEOSA-N 0 0 247.382 3.866 20 0 BHADRN CCc1cccc(N[C@H](CC)C2CCOCC2)c1 ZINC000537409397 324068765 /nfs/dbraw/zinc/06/87/65/324068765.db2.gz LQQJKVROHUJJCK-MRXNPFEDSA-N 0 0 247.382 3.866 20 0 BHADRN CCCc1nc(CSCCCC(C)C)no1 ZINC000537413116 324068770 /nfs/dbraw/zinc/06/87/70/324068770.db2.gz FOLAZDAMACNTOT-UHFFFAOYSA-N 0 0 242.388 3.692 20 0 BHADRN CC(C)CCCSC[C@H]1CCCCO1 ZINC000537413323 324068527 /nfs/dbraw/zinc/06/85/27/324068527.db2.gz LBMHYDKENPNKDU-GFCCVEGCSA-N 0 0 216.390 3.725 20 0 BHADRN CC(C)CCCSC[C@@H]1CCCCO1 ZINC000537413324 324068931 /nfs/dbraw/zinc/06/89/31/324068931.db2.gz LBMHYDKENPNKDU-LBPRGKRZSA-N 0 0 216.390 3.725 20 0 BHADRN COc1ccnc(CSCCCC(C)C)c1 ZINC000537413470 324068675 /nfs/dbraw/zinc/06/86/75/324068675.db2.gz NTNLTVQAALOLML-UHFFFAOYSA-N 0 0 239.384 3.760 20 0 BHADRN CCc1cnc(CSCCCC(C)C)o1 ZINC000537414276 324068594 /nfs/dbraw/zinc/06/85/94/324068594.db2.gz IISOICVTPVOTRC-UHFFFAOYSA-N 0 0 227.373 3.906 20 0 BHADRN CC(C)CCCSCC1CCOCC1 ZINC000537414927 324068554 /nfs/dbraw/zinc/06/85/54/324068554.db2.gz YSKCFYIJXDSKKK-UHFFFAOYSA-N 0 0 216.390 3.582 20 0 BHADRN CC(C)CCCSCCCOC(C)C ZINC000537416365 324069280 /nfs/dbraw/zinc/06/92/80/324069280.db2.gz XGHKLFNSHHASED-UHFFFAOYSA-N 0 0 218.406 3.971 20 0 BHADRN Cc1cccnc1CSC[C@@H](C)C(F)(F)F ZINC000537422151 324070311 /nfs/dbraw/zinc/07/03/11/324070311.db2.gz UETNOCJYJRDEKG-SECBINFHSA-N 0 0 249.301 3.822 20 0 BHADRN Cc1cccnc1CSC[C@H](C)C(F)(F)F ZINC000537422154 324070722 /nfs/dbraw/zinc/07/07/22/324070722.db2.gz UETNOCJYJRDEKG-VIFPVBQESA-N 0 0 249.301 3.822 20 0 BHADRN CCC[C@H](CC)NC(=O)Cc1c(C)cccc1C ZINC000537431522 324071848 /nfs/dbraw/zinc/07/18/48/324071848.db2.gz CLDZWLGJORNYGZ-AWEZNQCLSA-N 0 0 247.382 3.541 20 0 BHADRN CCC[C@@H](CC)NC(=O)Cc1c(C)cccc1C ZINC000537431524 324071371 /nfs/dbraw/zinc/07/13/71/324071371.db2.gz CLDZWLGJORNYGZ-CQSZACIVSA-N 0 0 247.382 3.541 20 0 BHADRN COC[C@@H](CC(C)C)Nc1ccc(C)cc1F ZINC000537444106 324071548 /nfs/dbraw/zinc/07/15/48/324071548.db2.gz FFJJQZKISYTNSU-GFCCVEGCSA-N 0 0 239.334 3.607 20 0 BHADRN COC[C@H](CC(C)C)Nc1ccc(C)cc1F ZINC000537444116 324071491 /nfs/dbraw/zinc/07/14/91/324071491.db2.gz FFJJQZKISYTNSU-LBPRGKRZSA-N 0 0 239.334 3.607 20 0 BHADRN CC[C@H]1CCC[C@H]1Nc1cnn(CC(C)C)c1 ZINC000537445649 324071804 /nfs/dbraw/zinc/07/18/04/324071804.db2.gz RHGUTIMICJTZDM-GXTWGEPZSA-N 0 0 235.375 3.530 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1cnn(CC(C)C)c1 ZINC000537445652 324071484 /nfs/dbraw/zinc/07/14/84/324071484.db2.gz RHGUTIMICJTZDM-JSGCOSHPSA-N 0 0 235.375 3.530 20 0 BHADRN CC[C@@H]1CCC[C@@H]1Nc1cnn(CC(C)C)c1 ZINC000537445654 324071514 /nfs/dbraw/zinc/07/15/14/324071514.db2.gz RHGUTIMICJTZDM-OCCSQVGLSA-N 0 0 235.375 3.530 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1cnn(CC(C)C)c1 ZINC000537445655 324071381 /nfs/dbraw/zinc/07/13/81/324071381.db2.gz RHGUTIMICJTZDM-TZMCWYRMSA-N 0 0 235.375 3.530 20 0 BHADRN CCCC[C@H](COC)Nc1ccc(C)cc1F ZINC000537447301 324072779 /nfs/dbraw/zinc/07/27/79/324072779.db2.gz YVJRVRHPSKQQOZ-GFCCVEGCSA-N 0 0 239.334 3.751 20 0 BHADRN CCCC[C@@H](COC)Nc1ccc(C)cc1F ZINC000537447302 324072563 /nfs/dbraw/zinc/07/25/63/324072563.db2.gz YVJRVRHPSKQQOZ-LBPRGKRZSA-N 0 0 239.334 3.751 20 0 BHADRN CCOCc1ccc(NC(C2CC2)C2CC2)cc1 ZINC000537449535 324072569 /nfs/dbraw/zinc/07/25/69/324072569.db2.gz KNOPJLXFNKKXAH-UHFFFAOYSA-N 0 0 245.366 3.824 20 0 BHADRN CCC[C@H](C)[C@H](CC)Nc1ccc(CCO)cc1 ZINC000537450739 324072722 /nfs/dbraw/zinc/07/27/22/324072722.db2.gz YRMLJZPHIKMWTR-BBRMVZONSA-N 0 0 249.398 3.848 20 0 BHADRN CCC[C@@H](C)[C@H](CC)Nc1ccc(CCO)cc1 ZINC000537450742 324072529 /nfs/dbraw/zinc/07/25/29/324072529.db2.gz YRMLJZPHIKMWTR-CJNGLKHVSA-N 0 0 249.398 3.848 20 0 BHADRN CCC[C@@H](C)[C@@H](CC)Nc1ccc(CCO)cc1 ZINC000537450744 324072765 /nfs/dbraw/zinc/07/27/65/324072765.db2.gz YRMLJZPHIKMWTR-CZUORRHYSA-N 0 0 249.398 3.848 20 0 BHADRN CCC[C@H](C)[C@@H](CC)Nc1ccc(CCO)cc1 ZINC000537450746 324072565 /nfs/dbraw/zinc/07/25/65/324072565.db2.gz YRMLJZPHIKMWTR-XJKSGUPXSA-N 0 0 249.398 3.848 20 0 BHADRN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1ccco1 ZINC000537451005 324072588 /nfs/dbraw/zinc/07/25/88/324072588.db2.gz BACIILJAAQQEJQ-LLVKDONJSA-N 0 0 245.297 3.759 20 0 BHADRN C[C@H](NC1(c2ccc(F)cc2)CC1)c1ccco1 ZINC000537451010 324072595 /nfs/dbraw/zinc/07/25/95/324072595.db2.gz BACIILJAAQQEJQ-NSHDSACASA-N 0 0 245.297 3.759 20 0 BHADRN C[C@H](CC1CC1)Nc1cccc2c1OCCC2 ZINC000537451719 324072576 /nfs/dbraw/zinc/07/25/76/324072576.db2.gz HLLRAQQYUGJYIW-LLVKDONJSA-N 0 0 231.339 3.612 20 0 BHADRN C[C@@H](CC1CC1)Nc1cccc2c1OCCC2 ZINC000537451726 324072493 /nfs/dbraw/zinc/07/24/93/324072493.db2.gz HLLRAQQYUGJYIW-NSHDSACASA-N 0 0 231.339 3.612 20 0 BHADRN Cc1ccc(C)c(S[C@H](C)C(=O)C2CC2)c1 ZINC000537467464 324074399 /nfs/dbraw/zinc/07/43/99/324074399.db2.gz OJRVYTRPDFDJOW-LLVKDONJSA-N 0 0 234.364 3.763 20 0 BHADRN Cc1ccc(C)c(S[C@@H](C)C(=O)C2CC2)c1 ZINC000537467480 324074328 /nfs/dbraw/zinc/07/43/28/324074328.db2.gz OJRVYTRPDFDJOW-NSHDSACASA-N 0 0 234.364 3.763 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cnn(CC(C)C)c1C ZINC000537475874 324074179 /nfs/dbraw/zinc/07/41/79/324074179.db2.gz PIOCEKKQOJLOSV-NEPJUHHUSA-N 0 0 237.391 3.694 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cnn(CC(C)C)c1C ZINC000537475898 324074525 /nfs/dbraw/zinc/07/45/25/324074525.db2.gz PIOCEKKQOJLOSV-NWDGAFQWSA-N 0 0 237.391 3.694 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cnn(CC(C)C)c1C ZINC000537475900 324074551 /nfs/dbraw/zinc/07/45/51/324074551.db2.gz PIOCEKKQOJLOSV-RYUDHWBXSA-N 0 0 237.391 3.694 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cnn(CC(C)C)c1C ZINC000537475902 324075384 /nfs/dbraw/zinc/07/53/84/324075384.db2.gz PIOCEKKQOJLOSV-VXGBXAGGSA-N 0 0 237.391 3.694 20 0 BHADRN CCCCn1ncc(N[C@H](C)C2(C)CC2)c1C ZINC000537477933 324075197 /nfs/dbraw/zinc/07/51/97/324075197.db2.gz VDWAKJNCQKWRSW-GFCCVEGCSA-N 0 0 235.375 3.592 20 0 BHADRN CCCCn1ncc(N[C@@H](C)C2(C)CC2)c1C ZINC000537477935 324075284 /nfs/dbraw/zinc/07/52/84/324075284.db2.gz VDWAKJNCQKWRSW-LBPRGKRZSA-N 0 0 235.375 3.592 20 0 BHADRN Cc1c(N[C@H](C)C2CCCC2)cnn1CC(C)C ZINC000537479334 324075586 /nfs/dbraw/zinc/07/55/86/324075586.db2.gz IBTIWKKWLPOWHI-GFCCVEGCSA-N 0 0 249.402 3.838 20 0 BHADRN Cc1c(N[C@@H](C)C2CCCC2)cnn1CC(C)C ZINC000537479335 324075440 /nfs/dbraw/zinc/07/54/40/324075440.db2.gz IBTIWKKWLPOWHI-LBPRGKRZSA-N 0 0 249.402 3.838 20 0 BHADRN CC(C)CC(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000537480323 324073611 /nfs/dbraw/zinc/07/36/11/324073611.db2.gz XZMADGOUIUKAQM-UHFFFAOYSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H](C)n1ncc(N[C@H](C)C2CC2)c1C1CC1 ZINC000537481121 324073398 /nfs/dbraw/zinc/07/33/98/324073398.db2.gz HHKMDSSKCZCQNK-GHMZBOCLSA-N 0 0 247.386 3.942 20 0 BHADRN CC[C@@H](C)n1ncc(N[C@@H](C)C2CC2)c1C1CC1 ZINC000537481137 324073535 /nfs/dbraw/zinc/07/35/35/324073535.db2.gz HHKMDSSKCZCQNK-MNOVXSKESA-N 0 0 247.386 3.942 20 0 BHADRN CC[C@H](C)n1ncc(N[C@@H](C)C2CC2)c1C1CC1 ZINC000537481140 324073555 /nfs/dbraw/zinc/07/35/55/324073555.db2.gz HHKMDSSKCZCQNK-QWRGUYRKSA-N 0 0 247.386 3.942 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H](C)C2CC2)c1C1CC1 ZINC000537481143 324073531 /nfs/dbraw/zinc/07/35/31/324073531.db2.gz HHKMDSSKCZCQNK-WDEREUQCSA-N 0 0 247.386 3.942 20 0 BHADRN CCCCn1ncc(NC(C2CC2)C2CC2)c1C ZINC000537483250 324073209 /nfs/dbraw/zinc/07/32/09/324073209.db2.gz UPMKBLFDMORTMJ-UHFFFAOYSA-N 0 0 247.386 3.592 20 0 BHADRN CCc1ccc(N[C@H](C)C2CCOCC2)cc1C ZINC000537485344 324073485 /nfs/dbraw/zinc/07/34/85/324073485.db2.gz AGTZZOROICQMKU-CYBMUJFWSA-N 0 0 247.382 3.784 20 0 BHADRN CCc1ccc(N[C@@H](C)C2CCOCC2)cc1C ZINC000537485350 324073567 /nfs/dbraw/zinc/07/35/67/324073567.db2.gz AGTZZOROICQMKU-ZDUSSCGKSA-N 0 0 247.382 3.784 20 0 BHADRN CC(C)C[C@@H](C)Cn1sc2ccccc2c1=O ZINC000537505946 324077396 /nfs/dbraw/zinc/07/73/96/324077396.db2.gz XPDGCJSKPSFZRA-LLVKDONJSA-N 0 0 249.379 3.745 20 0 BHADRN CC(C)C[C@H](C)Cn1sc2ccccc2c1=O ZINC000537505947 324077584 /nfs/dbraw/zinc/07/75/84/324077584.db2.gz XPDGCJSKPSFZRA-NSHDSACASA-N 0 0 249.379 3.745 20 0 BHADRN CC(C)C[C@@H](C)CSC1CCOCC1 ZINC000537506117 324077330 /nfs/dbraw/zinc/07/73/30/324077330.db2.gz GWHKLVGOZXEAPM-LLVKDONJSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)C[C@H](C)CSC1CCOCC1 ZINC000537506119 324077695 /nfs/dbraw/zinc/07/76/95/324077695.db2.gz GWHKLVGOZXEAPM-NSHDSACASA-N 0 0 216.390 3.581 20 0 BHADRN C[C@H]1OCC[C@H]1SCCCC(C)(C)C ZINC000537506800 324077262 /nfs/dbraw/zinc/07/72/62/324077262.db2.gz GLEQRWXGAWJCNF-GHMZBOCLSA-N 0 0 216.390 3.723 20 0 BHADRN C[C@H]1OCC[C@@H]1SCCCC(C)(C)C ZINC000537506801 324077417 /nfs/dbraw/zinc/07/74/17/324077417.db2.gz GLEQRWXGAWJCNF-MNOVXSKESA-N 0 0 216.390 3.723 20 0 BHADRN C[C@@H]1OCC[C@@H]1SCCCC(C)(C)C ZINC000537506802 324077492 /nfs/dbraw/zinc/07/74/92/324077492.db2.gz GLEQRWXGAWJCNF-QWRGUYRKSA-N 0 0 216.390 3.723 20 0 BHADRN C[C@@H]1OCC[C@H]1SCCCC(C)(C)C ZINC000537506803 324077392 /nfs/dbraw/zinc/07/73/92/324077392.db2.gz GLEQRWXGAWJCNF-WDEREUQCSA-N 0 0 216.390 3.723 20 0 BHADRN CCC1(C)CCC(Nc2c(C)nn(C)c2C)CC1 ZINC000537511760 324075201 /nfs/dbraw/zinc/07/52/01/324075201.db2.gz VKNHCRTWYVRLAS-UHFFFAOYSA-N 0 0 249.402 3.808 20 0 BHADRN Cc1nn(C)c(C)c1N[C@H](C)CCCC(C)C ZINC000537514657 324075330 /nfs/dbraw/zinc/07/53/30/324075330.db2.gz VHCAHKOPAJSRIY-LLVKDONJSA-N 0 0 237.391 3.664 20 0 BHADRN Cc1nn(C)c(C)c1N[C@@H](C)CCCC(C)C ZINC000537514658 324075381 /nfs/dbraw/zinc/07/53/81/324075381.db2.gz VHCAHKOPAJSRIY-NSHDSACASA-N 0 0 237.391 3.664 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)C2CCOCC2)c1 ZINC000537516495 324076645 /nfs/dbraw/zinc/07/66/45/324076645.db2.gz 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BHADRN CC(C)[C@H](C)Nc1ccc(N2CCCCC2)cn1 ZINC000538527225 388701203 /nfs/dbraw/zinc/70/12/03/388701203.db2.gz XPYCKXYRIQVDFJ-ZDUSSCGKSA-N 0 0 247.386 3.528 20 0 BHADRN CCC(CC)SCc1cnc2ccccn12 ZINC000538531497 388701457 /nfs/dbraw/zinc/70/14/57/388701457.db2.gz OBBXVNGWZCAUGN-UHFFFAOYSA-N 0 0 234.368 3.756 20 0 BHADRN Cc1nccn1Cc1c(C)c(C)c(C)c(C)c1C ZINC000538531865 388701829 /nfs/dbraw/zinc/70/18/29/388701829.db2.gz USSSCEDXVQZNIY-UHFFFAOYSA-N 0 0 242.366 3.782 20 0 BHADRN COc1ccnc2c(N[C@H](C)C(C)C)cccc12 ZINC000538544646 388701861 /nfs/dbraw/zinc/70/18/61/388701861.db2.gz DXXDBMBIFLBOOR-LLVKDONJSA-N 0 0 244.338 3.700 20 0 BHADRN COc1ccnc2c(N[C@@H](C)C(C)C)cccc12 ZINC000538544648 324715062 /nfs/dbraw/zinc/71/50/62/324715062.db2.gz DXXDBMBIFLBOOR-NSHDSACASA-N 0 0 244.338 3.700 20 0 BHADRN CC(C)Cn1cc(N[C@H](C)C2CCCC2)cn1 ZINC000538545890 384896640 /nfs/dbraw/zinc/89/66/40/384896640.db2.gz AZPPIWQYEIIEEL-GFCCVEGCSA-N 0 0 235.375 3.530 20 0 BHADRN CC(C)Cn1cc(N[C@@H](C)C2CCCC2)cn1 ZINC000538545895 384895665 /nfs/dbraw/zinc/89/56/65/384895665.db2.gz AZPPIWQYEIIEEL-LBPRGKRZSA-N 0 0 235.375 3.530 20 0 BHADRN C[C@@H](Nc1cccc2c1OCCC2)C(C)(C)C ZINC000538552004 388701713 /nfs/dbraw/zinc/70/17/13/388701713.db2.gz MVNMPBLDORQMIH-LLVKDONJSA-N 0 0 233.355 3.858 20 0 BHADRN C[C@H](Nc1cccc2c1OCCC2)C(C)(C)C ZINC000538552005 324715491 /nfs/dbraw/zinc/71/54/91/324715491.db2.gz MVNMPBLDORQMIH-NSHDSACASA-N 0 0 233.355 3.858 20 0 BHADRN CCOCc1ccc(N[C@H](C)C2(C)CC2)cc1 ZINC000538553091 388701440 /nfs/dbraw/zinc/70/14/40/388701440.db2.gz AMRDDHZHINNENR-GFCCVEGCSA-N 0 0 233.355 3.824 20 0 BHADRN CCOCc1ccc(N[C@@H](C)C2(C)CC2)cc1 ZINC000538553092 324716010 /nfs/dbraw/zinc/71/60/10/324716010.db2.gz AMRDDHZHINNENR-LBPRGKRZSA-N 0 0 233.355 3.824 20 0 BHADRN CC[C@@H](Nc1cccc2c1OCCC2)C1CC1 ZINC000538554201 388702017 /nfs/dbraw/zinc/70/20/17/388702017.db2.gz RRPXYNJTAJVKQU-CYBMUJFWSA-N 0 0 231.339 3.612 20 0 BHADRN CC[C@H](Nc1cccc2c1OCCC2)C1CC1 ZINC000538554202 388701481 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243.354 3.627 20 0 BHADRN CCCN(CC)Cc1ncc(Cl)cc1Cl ZINC000538615695 388702597 /nfs/dbraw/zinc/70/25/97/388702597.db2.gz VVBJJTIOCYCFKJ-UHFFFAOYSA-N 0 0 247.169 3.620 20 0 BHADRN CCCC[C@H](COC)Nc1cc(F)ccc1C ZINC000538619036 388702774 /nfs/dbraw/zinc/70/27/74/388702774.db2.gz LYULXTQLJPOOPD-CYBMUJFWSA-N 0 0 239.334 3.751 20 0 BHADRN CCCC[C@@H](COC)Nc1cc(F)ccc1C ZINC000538619042 324718043 /nfs/dbraw/zinc/71/80/43/324718043.db2.gz LYULXTQLJPOOPD-ZDUSSCGKSA-N 0 0 239.334 3.751 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cc(F)cc(F)c1OC ZINC000538634782 388703659 /nfs/dbraw/zinc/70/36/59/388703659.db2.gz VRQFJRWSUKSQGY-BDAKNGLRSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cc(F)cc(F)c1OC ZINC000538634784 388703667 /nfs/dbraw/zinc/70/36/67/388703667.db2.gz VRQFJRWSUKSQGY-DTWKUNHWSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cc(F)cc(F)c1OC ZINC000538634786 324719750 /nfs/dbraw/zinc/71/97/50/324719750.db2.gz VRQFJRWSUKSQGY-IUCAKERBSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cc(F)cc(F)c1OC ZINC000538634787 388704123 /nfs/dbraw/zinc/70/41/23/388704123.db2.gz VRQFJRWSUKSQGY-RKDXNWHRSA-N 0 0 243.297 3.820 20 0 BHADRN CCOc1ccc(OC)cc1N[C@H](C)C(C)C ZINC000538635711 324719658 /nfs/dbraw/zinc/71/96/58/324719658.db2.gz DTSZRTNBVTXAOF-LLVKDONJSA-N 0 0 237.343 3.550 20 0 BHADRN CCOc1ccc(OC)cc1N[C@@H](C)C(C)C ZINC000538635712 324720127 /nfs/dbraw/zinc/72/01/27/324720127.db2.gz DTSZRTNBVTXAOF-NSHDSACASA-N 0 0 237.343 3.550 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)ncn2C)C1CCCC1 ZINC000538638814 324720044 /nfs/dbraw/zinc/72/00/44/324720044.db2.gz AKXYPXKECFCXGZ-LLVKDONJSA-N 0 0 243.354 3.564 20 0 BHADRN C[C@H](Nc1ccc2c(c1)ncn2C)C1CCCC1 ZINC000538638815 324720634 /nfs/dbraw/zinc/72/06/34/324720634.db2.gz AKXYPXKECFCXGZ-NSHDSACASA-N 0 0 243.354 3.564 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1ccc2c(c1)ncn2C ZINC000538641451 388703706 /nfs/dbraw/zinc/70/37/06/388703706.db2.gz XFGIAJSEZANJFG-AAEUAGOBSA-N 0 0 243.354 3.564 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1ccc2c(c1)ncn2C 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20 0 BHADRN C[C@H]1CCC[C@@H](CN(CC(F)F)C2CC2)C1 ZINC000538954314 388742526 /nfs/dbraw/zinc/74/25/26/388742526.db2.gz VDHWMVQPWHXNHF-WDEREUQCSA-N 0 0 231.330 3.542 20 0 BHADRN CCN1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000538957115 388741932 /nfs/dbraw/zinc/74/19/32/388741932.db2.gz NCVIWORZWRRPAL-MRVPVSSYSA-N 0 0 244.165 3.932 20 0 BHADRN CCN1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000538957116 388742038 /nfs/dbraw/zinc/74/20/38/388742038.db2.gz NCVIWORZWRRPAL-QMMMGPOBSA-N 0 0 244.165 3.932 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CC12CCCCC2 ZINC000538989215 324816691 /nfs/dbraw/zinc/81/66/91/324816691.db2.gz ORBNEVWFCADABW-BFHYXJOUSA-N 0 0 249.398 3.746 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CC12CCCCC2 ZINC000538989218 324816189 /nfs/dbraw/zinc/81/61/89/324816189.db2.gz ORBNEVWFCADABW-MCIONIFRSA-N 0 0 249.398 3.746 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CC12CCCCC2 ZINC000538989222 324816315 /nfs/dbraw/zinc/81/63/15/324816315.db2.gz ORBNEVWFCADABW-MGPQQGTHSA-N 0 0 249.398 3.746 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CC12CCCCC2 ZINC000538989225 388741731 /nfs/dbraw/zinc/74/17/31/388741731.db2.gz ORBNEVWFCADABW-MJBXVCDLSA-N 0 0 249.398 3.746 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000538989497 324816402 /nfs/dbraw/zinc/81/64/02/324816402.db2.gz IJVZZBPFDBZTKY-IGQOVBAYSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCC[C@H](C)C1 ZINC000538989499 388743483 /nfs/dbraw/zinc/74/34/83/388743483.db2.gz IJVZZBPFDBZTKY-XDQVBPFNSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000538989501 388743188 /nfs/dbraw/zinc/74/31/88/388743188.db2.gz IJVZZBPFDBZTKY-XJFOESAGSA-N 0 0 237.387 3.602 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000538989502 388743643 /nfs/dbraw/zinc/74/36/43/388743643.db2.gz IJVZZBPFDBZTKY-ZOBORPQBSA-N 0 0 237.387 3.602 20 0 BHADRN CCC[C@H](C(=O)N1[C@@H](C)CC[C@@H]1CC)C(C)C ZINC000538992328 388743753 /nfs/dbraw/zinc/74/37/53/388743753.db2.gz 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Cc1cc(C(=O)Nc2c(C)cccc2F)oc1C ZINC000539531348 388763370 /nfs/dbraw/zinc/76/33/70/388763370.db2.gz XXBUAWQWHLXWHK-UHFFFAOYSA-N 0 0 247.269 3.596 20 0 BHADRN CCC1(CNC(=O)[C@@H]2CC[C@@H](C)C2)CCCC1 ZINC000539531873 388763546 /nfs/dbraw/zinc/76/35/46/388763546.db2.gz GCKZFELSJRWCQD-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(CNC(=O)[C@H]2CC[C@@H](C)C2)CCCC1 ZINC000539531874 324843639 /nfs/dbraw/zinc/84/36/39/324843639.db2.gz GCKZFELSJRWCQD-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(CNC(=O)[C@@H]2CC[C@H](C)C2)CCCC1 ZINC000539531875 324843708 /nfs/dbraw/zinc/84/37/08/324843708.db2.gz GCKZFELSJRWCQD-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(CNC(=O)[C@H]2CC[C@H](C)C2)CCCC1 ZINC000539531876 388763907 /nfs/dbraw/zinc/76/39/07/388763907.db2.gz GCKZFELSJRWCQD-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CC1(CNC(=O)C2=CCCC2)CCCCCC1 ZINC000539540924 388765048 /nfs/dbraw/zinc/76/50/48/388765048.db2.gz YAFAHPBDDKABBA-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@H]1CC12CCCC2 ZINC000539542187 324844405 /nfs/dbraw/zinc/84/44/05/324844405.db2.gz OCVGPPMOBYSOQS-LLVKDONJSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@@H]1CC12CCCC2 ZINC000539542200 388764829 /nfs/dbraw/zinc/76/48/29/388764829.db2.gz OCVGPPMOBYSOQS-NSHDSACASA-N 0 0 247.313 3.653 20 0 BHADRN CC1(CNC(=O)CCC2CC2)CCCCCC1 ZINC000539542864 388764229 /nfs/dbraw/zinc/76/42/29/388764229.db2.gz ICXXLVKBZPJRGB-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCN(C(=O)[C@H]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC000539544681 388764906 /nfs/dbraw/zinc/76/49/06/388764906.db2.gz KEVYPRUTZRTUAD-NEPJUHHUSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@H](C)C1)c1cccc(F)c1 ZINC000539544682 324844427 /nfs/dbraw/zinc/84/44/27/324844427.db2.gz KEVYPRUTZRTUAD-NWDGAFQWSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@H]1CC[C@H](C)C1)c1cccc(F)c1 ZINC000539544684 388764256 /nfs/dbraw/zinc/76/42/56/388764256.db2.gz KEVYPRUTZRTUAD-RYUDHWBXSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC000539544686 388765246 /nfs/dbraw/zinc/76/52/46/388765246.db2.gz KEVYPRUTZRTUAD-VXGBXAGGSA-N 0 0 249.329 3.615 20 0 BHADRN CCC(C)(C)C(=O)NCC1(C)CCCCCC1 ZINC000539545762 388764272 /nfs/dbraw/zinc/76/42/72/388764272.db2.gz PYLYZKSMEMZIHL-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC[C@@H](C)CNc1cnn(CC(C)C)c1C ZINC000539546275 388765150 /nfs/dbraw/zinc/76/51/50/388765150.db2.gz NTQQBOGPDMVWOV-GFCCVEGCSA-N 0 0 237.391 3.696 20 0 BHADRN CCC[C@H](C)CNc1cnn(CC(C)C)c1C ZINC000539546277 388765056 /nfs/dbraw/zinc/76/50/56/388765056.db2.gz NTQQBOGPDMVWOV-LBPRGKRZSA-N 0 0 237.391 3.696 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)NC(C)(C)CC(C)(C)C)C1 ZINC000539548283 388765175 /nfs/dbraw/zinc/76/51/75/388765175.db2.gz SSMJSINIVPQVLP-NEPJUHHUSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H]1CC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C1 ZINC000539548285 388765300 /nfs/dbraw/zinc/76/53/00/388765300.db2.gz SSMJSINIVPQVLP-NWDGAFQWSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H]1CC[C@H](C(=O)NC(C)(C)CC(C)(C)C)C1 ZINC000539548286 388764514 /nfs/dbraw/zinc/76/45/14/388764514.db2.gz SSMJSINIVPQVLP-RYUDHWBXSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C1 ZINC000539548289 324844038 /nfs/dbraw/zinc/84/40/38/324844038.db2.gz SSMJSINIVPQVLP-VXGBXAGGSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)N(C(=O)[C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000539548341 388765392 /nfs/dbraw/zinc/76/53/92/388765392.db2.gz ZPTSMQYASOFBQG-KBPBESRZSA-N 0 0 245.366 3.864 20 0 BHADRN CC(C)N(C(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000539548343 388764267 /nfs/dbraw/zinc/76/42/67/388764267.db2.gz ZPTSMQYASOFBQG-KGLIPLIRSA-N 0 0 245.366 3.864 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC000539548344 388764277 /nfs/dbraw/zinc/76/42/77/388764277.db2.gz ZPTSMQYASOFBQG-UONOGXRCSA-N 0 0 245.366 3.864 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000539548345 324844511 /nfs/dbraw/zinc/84/45/11/324844511.db2.gz ZPTSMQYASOFBQG-ZIAGYGMSSA-N 0 0 245.366 3.864 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@H](C)C1 ZINC000539548825 324844154 /nfs/dbraw/zinc/84/41/54/324844154.db2.gz FNDVWCQNJSAELB-CRWXNKLISA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000539548826 388765153 /nfs/dbraw/zinc/76/51/53/388765153.db2.gz FNDVWCQNJSAELB-DGAVXFQQSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000539548827 324843965 /nfs/dbraw/zinc/84/39/65/324843965.db2.gz FNDVWCQNJSAELB-MQYQWHSLSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000539548828 388764823 /nfs/dbraw/zinc/76/48/23/388764823.db2.gz FNDVWCQNJSAELB-SYQHCUMBSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)OCCSc1ccc(F)cc1F ZINC000539548969 388764454 /nfs/dbraw/zinc/76/44/54/388764454.db2.gz YNEKJFSQIHYZPR-UHFFFAOYSA-N 0 0 246.322 3.872 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CC[C@H](C)C2)c1C ZINC000539549815 324845188 /nfs/dbraw/zinc/84/51/88/324845188.db2.gz IEAHHHLAVMOLAV-GWCFXTLKSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC[C@H](C)C2)c1C ZINC000539549818 388764682 /nfs/dbraw/zinc/76/46/82/388764682.db2.gz IEAHHHLAVMOLAV-GXFFZTMASA-N 0 0 231.339 3.678 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CC[C@@H](C)C2)c1C ZINC000539549819 324845197 /nfs/dbraw/zinc/84/51/97/324845197.db2.gz IEAHHHLAVMOLAV-MFKMUULPSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C)C2)c1C ZINC000539549821 388765286 /nfs/dbraw/zinc/76/52/86/388765286.db2.gz IEAHHHLAVMOLAV-ZWNOBZJWSA-N 0 0 231.339 3.678 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000539549998 388765263 /nfs/dbraw/zinc/76/52/63/388765263.db2.gz ZPTCYUBBXLWZEN-HZSPNIEDSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@H]1CC[C@H](C)C1 ZINC000539549999 388764771 /nfs/dbraw/zinc/76/47/71/388764771.db2.gz ZPTCYUBBXLWZEN-IHRRRGAJSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@@H]1CC[C@H](C)C1 ZINC000539550000 324844913 /nfs/dbraw/zinc/84/49/13/324844913.db2.gz ZPTCYUBBXLWZEN-MELADBBJSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@H]1CC[C@@H](C)C1 ZINC000539550001 324844866 /nfs/dbraw/zinc/84/48/66/324844866.db2.gz ZPTCYUBBXLWZEN-RDBSUJKOSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000539551546 388764252 /nfs/dbraw/zinc/76/42/52/388764252.db2.gz UEOVQBGZYIEMHS-NXEZZACHSA-N 0 0 237.730 3.715 20 0 BHADRN C[C@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000539551547 388765078 /nfs/dbraw/zinc/76/50/78/388765078.db2.gz UEOVQBGZYIEMHS-UWVGGRQHSA-N 0 0 237.730 3.715 20 0 BHADRN C[C@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000539551548 388765005 /nfs/dbraw/zinc/76/50/05/388765005.db2.gz UEOVQBGZYIEMHS-VHSXEESVSA-N 0 0 237.730 3.715 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000539551549 388764887 /nfs/dbraw/zinc/76/48/87/388764887.db2.gz UEOVQBGZYIEMHS-ZJUUUORDSA-N 0 0 237.730 3.715 20 0 BHADRN CCN(C(=O)[C@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000539552721 388764556 /nfs/dbraw/zinc/76/45/56/388764556.db2.gz RUXVMALDWUDTPV-NEPJUHHUSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000539552724 324844836 /nfs/dbraw/zinc/84/48/36/324844836.db2.gz RUXVMALDWUDTPV-NWDGAFQWSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@H]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000539552727 388764494 /nfs/dbraw/zinc/76/44/94/388764494.db2.gz RUXVMALDWUDTPV-RYUDHWBXSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000539552728 324844873 /nfs/dbraw/zinc/84/48/73/324844873.db2.gz RUXVMALDWUDTPV-VXGBXAGGSA-N 0 0 249.329 3.615 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@H]1CC[C@H](C)C1 ZINC000539556857 324845190 /nfs/dbraw/zinc/84/51/90/324845190.db2.gz ABWSGJQQIHHCKP-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000539556858 324844899 /nfs/dbraw/zinc/84/48/99/324844899.db2.gz ABWSGJQQIHHCKP-MCIONIFRSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000539556860 388765221 /nfs/dbraw/zinc/76/52/21/388765221.db2.gz ABWSGJQQIHHCKP-MJBXVCDLSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CCC)NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000539556861 324845238 /nfs/dbraw/zinc/84/52/38/324845238.db2.gz ABWSGJQQIHHCKP-RDBSUJKOSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000539560949 388765023 /nfs/dbraw/zinc/76/50/23/388765023.db2.gz WPMPLVAZXRJMGT-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000539560950 324845089 /nfs/dbraw/zinc/84/50/89/324845089.db2.gz WPMPLVAZXRJMGT-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@H]1CC[C@H](C)C1 ZINC000539560951 324844907 /nfs/dbraw/zinc/84/49/07/324844907.db2.gz WPMPLVAZXRJMGT-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(CC)(CC)NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000539560952 324845005 /nfs/dbraw/zinc/84/50/05/324845005.db2.gz WPMPLVAZXRJMGT-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000539564145 324845279 /nfs/dbraw/zinc/84/52/79/324845279.db2.gz VDDMYOVNWDUIGD-BEAPCOKYSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000539564146 388764698 /nfs/dbraw/zinc/76/46/98/388764698.db2.gz VDDMYOVNWDUIGD-FAAHXZRKSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000539564147 388766256 /nfs/dbraw/zinc/76/62/56/388766256.db2.gz VDDMYOVNWDUIGD-UNQGMJICSA-N 0 0 249.398 3.508 20 0 BHADRN CCN(C(=O)[C@H]1CC[C@H](C)C1)c1cccc(C)c1 ZINC000539565768 324845001 /nfs/dbraw/zinc/84/50/01/324845001.db2.gz JRJDCSVDPXCCHR-KBPBESRZSA-N 0 0 245.366 3.784 20 0 BHADRN CCN(C(=O)[C@H]1CC[C@@H](C)C1)c1cccc(C)c1 ZINC000539565770 324844934 /nfs/dbraw/zinc/84/49/34/324844934.db2.gz JRJDCSVDPXCCHR-KGLIPLIRSA-N 0 0 245.366 3.784 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@H](C)C1)c1cccc(C)c1 ZINC000539565772 324844929 /nfs/dbraw/zinc/84/49/29/324844929.db2.gz JRJDCSVDPXCCHR-UONOGXRCSA-N 0 0 245.366 3.784 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@@H](C)C1)c1cccc(C)c1 ZINC000539565774 388766591 /nfs/dbraw/zinc/76/65/91/388766591.db2.gz JRJDCSVDPXCCHR-ZIAGYGMSSA-N 0 0 245.366 3.784 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)N(C)C2CCCCCC2)C1 ZINC000539566382 324845092 /nfs/dbraw/zinc/84/50/92/324845092.db2.gz UJYSYEGJJSBREV-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N(C)C2CCCCCC2)C1 ZINC000539566383 324844917 /nfs/dbraw/zinc/84/49/17/324844917.db2.gz UJYSYEGJJSBREV-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CC[C@@H](C(=O)N(C)C2CCCCCC2)C1 ZINC000539566386 388766628 /nfs/dbraw/zinc/76/66/28/388766628.db2.gz UJYSYEGJJSBREV-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CC[C@H](C(=O)N(C)C2CCCCCC2)C1 ZINC000539566387 388765139 /nfs/dbraw/zinc/76/51/39/388765139.db2.gz UJYSYEGJJSBREV-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H](C)n1nc(N[C@H]2CCC[C@@H](C)C2)cc1C ZINC000539587850 324846673 /nfs/dbraw/zinc/84/66/73/324846673.db2.gz AQGOWWOJLYYIBV-DYEKYZERSA-N 0 0 249.402 3.575 20 0 BHADRN CC[C@H](C)n1nc(N[C@@H]2CCC[C@@H](C)C2)cc1C ZINC000539587856 322942688 /nfs/dbraw/zinc/94/26/88/322942688.db2.gz AQGOWWOJLYYIBV-MBNYWOFBSA-N 0 0 249.402 3.575 20 0 BHADRN CC[C@H](C)n1nc(N[C@H]2CCC[C@H](C)C2)cc1C ZINC000539587857 385170617 /nfs/dbraw/zinc/17/06/17/385170617.db2.gz AQGOWWOJLYYIBV-OBJOEFQTSA-N 0 0 249.402 3.575 20 0 BHADRN CC[C@H](C)n1nc(N[C@@H]2CCC[C@H](C)C2)cc1C ZINC000539587858 385170360 /nfs/dbraw/zinc/17/03/60/385170360.db2.gz AQGOWWOJLYYIBV-SGMGOOAPSA-N 0 0 249.402 3.575 20 0 BHADRN CCC(C)(C)CC[S@@](=O)CCCC(C)C ZINC000539595208 388766293 /nfs/dbraw/zinc/76/62/93/388766293.db2.gz SIOKNZFVCMBQID-HNNXBMFYSA-N 0 0 232.433 3.998 20 0 BHADRN CCC(C)(C)CC[S@](=O)CCCC(C)C ZINC000539595210 388765726 /nfs/dbraw/zinc/76/57/26/388765726.db2.gz SIOKNZFVCMBQID-OAHLLOKOSA-N 0 0 232.433 3.998 20 0 BHADRN Cc1cc(C)c(CNc2ncccc2C)c(C)c1 ZINC000539601133 388765831 /nfs/dbraw/zinc/76/58/31/388765831.db2.gz GQYWSGHARJPLRK-UHFFFAOYSA-N 0 0 240.350 3.927 20 0 BHADRN CCCC[C@@H](COC)Nc1cccc(C)c1C ZINC000539607179 322945642 /nfs/dbraw/zinc/94/56/42/322945642.db2.gz AHBCGKKVDUJMGN-AWEZNQCLSA-N 0 0 235.371 3.921 20 0 BHADRN CCCC[C@H](COC)Nc1cccc(C)c1C ZINC000539607180 322945639 /nfs/dbraw/zinc/94/56/39/322945639.db2.gz AHBCGKKVDUJMGN-CQSZACIVSA-N 0 0 235.371 3.921 20 0 BHADRN COC[C@@H](CC(C)C)Nc1ccc(C)c(F)c1 ZINC000539609136 324847413 /nfs/dbraw/zinc/84/74/13/324847413.db2.gz CIPOTBHUQQVGAS-CYBMUJFWSA-N 0 0 239.334 3.607 20 0 BHADRN COC[C@H](CC(C)C)Nc1ccc(C)c(F)c1 ZINC000539609137 388767781 /nfs/dbraw/zinc/76/77/81/388767781.db2.gz CIPOTBHUQQVGAS-ZDUSSCGKSA-N 0 0 239.334 3.607 20 0 BHADRN CC[C@H](Nc1cccc(C)c1C)C1CCOCC1 ZINC000539610617 388768927 /nfs/dbraw/zinc/76/89/27/388768927.db2.gz HYYVGJIHBGXWQN-HNNXBMFYSA-N 0 0 247.382 3.921 20 0 BHADRN CC[C@@H](Nc1cccc(C)c1C)C1CCOCC1 ZINC000539610618 324847552 /nfs/dbraw/zinc/84/75/52/324847552.db2.gz HYYVGJIHBGXWQN-OAHLLOKOSA-N 0 0 247.382 3.921 20 0 BHADRN CSCCCN(C)c1ccc(F)c(Cl)c1 ZINC000539612099 388768161 /nfs/dbraw/zinc/76/81/61/388768161.db2.gz AIPLQKLCZGARJI-UHFFFAOYSA-N 0 0 247.766 3.668 20 0 BHADRN CCCc1noc(CSCCCC(C)C)n1 ZINC000539614935 388768288 /nfs/dbraw/zinc/76/82/88/388768288.db2.gz CUEQUEVVJMGMDV-UHFFFAOYSA-N 0 0 242.388 3.692 20 0 BHADRN CC(C)CCCSCCOC(C)(C)C ZINC000539616935 388768214 /nfs/dbraw/zinc/76/82/14/388768214.db2.gz YNCHKMGLUVTBCG-UHFFFAOYSA-N 0 0 218.406 3.971 20 0 BHADRN c1nc2ccccn2c1CSC1CCCCC1 ZINC000539628623 388768132 /nfs/dbraw/zinc/76/81/32/388768132.db2.gz APGRIWSTNFOIER-UHFFFAOYSA-N 0 0 246.379 3.900 20 0 BHADRN FC(F)(F)c1cccc(O[C@@H]2C=CCCC2)n1 ZINC000539630130 388768699 /nfs/dbraw/zinc/76/86/99/388768699.db2.gz NZMNBRLWVQGVMJ-SECBINFHSA-N 0 0 243.228 3.588 20 0 BHADRN FC(F)(F)c1cccc(O[C@H]2C=CCCC2)n1 ZINC000539630137 388767614 /nfs/dbraw/zinc/76/76/14/388767614.db2.gz NZMNBRLWVQGVMJ-VIFPVBQESA-N 0 0 243.228 3.588 20 0 BHADRN CCCC(CCC)SCCC(=O)OCC ZINC000539631421 388768010 /nfs/dbraw/zinc/76/80/10/388768010.db2.gz JZPBBBKDPVBSKO-UHFFFAOYSA-N 0 0 232.389 3.642 20 0 BHADRN C[C@H]1CCC[C@@H](CCNc2cccc(CO)c2)C1 ZINC000539638031 388768112 /nfs/dbraw/zinc/76/81/12/388768112.db2.gz NBBYRDBEGWADQX-KBPBESRZSA-N 0 0 247.382 3.807 20 0 BHADRN C[C@@H]1CCC[C@@H](CCNc2cccc(CO)c2)C1 ZINC000539638032 324849524 /nfs/dbraw/zinc/84/95/24/324849524.db2.gz NBBYRDBEGWADQX-KGLIPLIRSA-N 0 0 247.382 3.807 20 0 BHADRN C[C@H]1CCC[C@H](CCNc2cccc(CO)c2)C1 ZINC000539638033 388767643 /nfs/dbraw/zinc/76/76/43/388767643.db2.gz NBBYRDBEGWADQX-UONOGXRCSA-N 0 0 247.382 3.807 20 0 BHADRN C[C@@H]1CCC[C@H](CCNc2cccc(CO)c2)C1 ZINC000539638034 388768907 /nfs/dbraw/zinc/76/89/07/388768907.db2.gz NBBYRDBEGWADQX-ZIAGYGMSSA-N 0 0 247.382 3.807 20 0 BHADRN CC[C@@H]1C[C@H](C)CC[C@@H]1Nc1cnn(CC)c1 ZINC000539647835 388768526 /nfs/dbraw/zinc/76/85/26/388768526.db2.gz KLJLRGIGIOEJPN-BZPMIXESSA-N 0 0 235.375 3.530 20 0 BHADRN CC[C@@H]1C[C@@H](C)CC[C@H]1Nc1cnn(CC)c1 ZINC000539647837 324849224 /nfs/dbraw/zinc/84/92/24/324849224.db2.gz KLJLRGIGIOEJPN-OUCADQQQSA-N 0 0 235.375 3.530 20 0 BHADRN CC[C@@H]1C[C@@H](C)CC[C@@H]1Nc1cnn(CC)c1 ZINC000539647839 324849220 /nfs/dbraw/zinc/84/92/20/324849220.db2.gz KLJLRGIGIOEJPN-SCRDCRAPSA-N 0 0 235.375 3.530 20 0 BHADRN CC[C@@H]1C[C@H](C)CC[C@H]1Nc1cnn(CC)c1 ZINC000539647840 388768694 /nfs/dbraw/zinc/76/86/94/388768694.db2.gz KLJLRGIGIOEJPN-YRGRVCCFSA-N 0 0 235.375 3.530 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000539648977 388767894 /nfs/dbraw/zinc/76/78/94/388767894.db2.gz HXBHKTDMMSDDAO-AAEUAGOBSA-N 0 0 235.375 3.629 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1cnn(C(C)(C)C)c1 ZINC000539648978 388768462 /nfs/dbraw/zinc/76/84/62/388768462.db2.gz HXBHKTDMMSDDAO-DGCLKSJQSA-N 0 0 235.375 3.629 20 0 BHADRN CC[C@H]1CCC[C@H]1Nc1cnn(C(C)(C)C)c1 ZINC000539648979 324850230 /nfs/dbraw/zinc/85/02/30/324850230.db2.gz HXBHKTDMMSDDAO-WCQYABFASA-N 0 0 235.375 3.629 20 0 BHADRN CC[C@@H]1CCC[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000539648980 388768337 /nfs/dbraw/zinc/76/83/37/388768337.db2.gz HXBHKTDMMSDDAO-YPMHNXCESA-N 0 0 235.375 3.629 20 0 BHADRN CCCC[C@H](COC)Nc1cc(C)ccc1F ZINC000539649694 388767797 /nfs/dbraw/zinc/76/77/97/388767797.db2.gz XTVZVTSWVHJKCA-GFCCVEGCSA-N 0 0 239.334 3.751 20 0 BHADRN CCCC[C@@H](COC)Nc1cc(C)ccc1F ZINC000539649695 324850012 /nfs/dbraw/zinc/85/00/12/324850012.db2.gz XTVZVTSWVHJKCA-LBPRGKRZSA-N 0 0 239.334 3.751 20 0 BHADRN CCOCc1ccc(N[C@H](C)c2ccoc2)cc1 ZINC000539652863 388770272 /nfs/dbraw/zinc/77/02/72/388770272.db2.gz FZBIPWIUEVMMPM-GFCCVEGCSA-N 0 0 245.322 3.989 20 0 BHADRN CCOCc1ccc(N[C@@H](C)c2ccoc2)cc1 ZINC000539652864 388769403 /nfs/dbraw/zinc/76/94/03/388769403.db2.gz FZBIPWIUEVMMPM-LBPRGKRZSA-N 0 0 245.322 3.989 20 0 BHADRN CCOCc1ccc(N[C@@H](CC)C2CC2)cc1 ZINC000539656577 388769361 /nfs/dbraw/zinc/76/93/61/388769361.db2.gz CFGVQDDSXHUWEM-HNNXBMFYSA-N 0 0 233.355 3.824 20 0 BHADRN CCOCc1ccc(N[C@H](CC)C2CC2)cc1 ZINC000539656578 388770547 /nfs/dbraw/zinc/77/05/47/388770547.db2.gz CFGVQDDSXHUWEM-OAHLLOKOSA-N 0 0 233.355 3.824 20 0 BHADRN C[C@@H](Nc1cccc2c1OCCC2)c1ccco1 ZINC000539656867 388769985 /nfs/dbraw/zinc/76/99/85/388769985.db2.gz NYSKDQFCTHRRPP-LLVKDONJSA-N 0 0 243.306 3.778 20 0 BHADRN C[C@H](Nc1cccc2c1OCCC2)c1ccco1 ZINC000539656868 388769924 /nfs/dbraw/zinc/76/99/24/388769924.db2.gz NYSKDQFCTHRRPP-NSHDSACASA-N 0 0 243.306 3.778 20 0 BHADRN CC[C@@H](C)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000539679101 324851653 /nfs/dbraw/zinc/85/16/53/324851653.db2.gz QJVWNUZTHWERIK-LLVKDONJSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000539679103 324851692 /nfs/dbraw/zinc/85/16/92/324851692.db2.gz QJVWNUZTHWERIK-NSHDSACASA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H](C)Nc1cnn([C@H](C)CC)c1C1CC1 ZINC000539679104 324851614 /nfs/dbraw/zinc/85/16/14/324851614.db2.gz QNRYIOLGNYWIED-GHMZBOCLSA-N 0 0 235.375 3.942 20 0 BHADRN CC[C@@H](C)Nc1cnn([C@@H](C)CC)c1C1CC1 ZINC000539679106 388770605 /nfs/dbraw/zinc/77/06/05/388770605.db2.gz QNRYIOLGNYWIED-MNOVXSKESA-N 0 0 235.375 3.942 20 0 BHADRN CC[C@H](C)Nc1cnn([C@@H](C)CC)c1C1CC1 ZINC000539679108 324851577 /nfs/dbraw/zinc/85/15/77/324851577.db2.gz QNRYIOLGNYWIED-QWRGUYRKSA-N 0 0 235.375 3.942 20 0 BHADRN CC[C@@H](C)n1ncc(N[C@@H](C)CC)c1C1CC1 ZINC000539679110 388770327 /nfs/dbraw/zinc/77/03/27/388770327.db2.gz QNRYIOLGNYWIED-WDEREUQCSA-N 0 0 235.375 3.942 20 0 BHADRN CCCC[C@H](COC)Nc1cccc(C)c1F ZINC000539679240 388769769 /nfs/dbraw/zinc/76/97/69/388769769.db2.gz HWCYLNZHNBEFOX-GFCCVEGCSA-N 0 0 239.334 3.751 20 0 BHADRN CCCC[C@@H](COC)Nc1cccc(C)c1F ZINC000539679241 388770354 /nfs/dbraw/zinc/77/03/54/388770354.db2.gz HWCYLNZHNBEFOX-LBPRGKRZSA-N 0 0 239.334 3.751 20 0 BHADRN CCCCn1ncc(N[C@H](C)c2ccoc2)c1C ZINC000539680137 388770391 /nfs/dbraw/zinc/77/03/91/388770391.db2.gz MYTTXPHWYIXJBD-LLVKDONJSA-N 0 0 247.342 3.758 20 0 BHADRN CCCCn1ncc(N[C@@H](C)c2ccoc2)c1C ZINC000539680138 324851940 /nfs/dbraw/zinc/85/19/40/324851940.db2.gz MYTTXPHWYIXJBD-NSHDSACASA-N 0 0 247.342 3.758 20 0 BHADRN Cc1c(N[C@@H](C)[C@@H](C)C2CCCCC2)cnn1C ZINC000539680481 324851736 /nfs/dbraw/zinc/85/17/36/324851736.db2.gz SADOQLPXMOMWFW-NEPJUHHUSA-N 0 0 249.402 3.745 20 0 BHADRN Cc1c(N[C@H](C)[C@H](C)C2CCCCC2)cnn1C ZINC000539680482 324851649 /nfs/dbraw/zinc/85/16/49/324851649.db2.gz SADOQLPXMOMWFW-NWDGAFQWSA-N 0 0 249.402 3.745 20 0 BHADRN Cc1c(N[C@@H](C)[C@H](C)C2CCCCC2)cnn1C ZINC000539680483 388770143 /nfs/dbraw/zinc/77/01/43/388770143.db2.gz SADOQLPXMOMWFW-RYUDHWBXSA-N 0 0 249.402 3.745 20 0 BHADRN Cc1c(N[C@H](C)[C@@H](C)C2CCCCC2)cnn1C ZINC000539680484 388770276 /nfs/dbraw/zinc/77/02/76/388770276.db2.gz SADOQLPXMOMWFW-VXGBXAGGSA-N 0 0 249.402 3.745 20 0 BHADRN CCc1ccc(N[C@@H](CC)COC)cc1CC ZINC000539680867 324851711 /nfs/dbraw/zinc/85/17/11/324851711.db2.gz QOFOGRRAXAHWRS-AWEZNQCLSA-N 0 0 235.371 3.648 20 0 BHADRN CCc1ccc(N[C@H](CC)COC)cc1CC ZINC000539680869 388770450 /nfs/dbraw/zinc/77/04/50/388770450.db2.gz QOFOGRRAXAHWRS-CQSZACIVSA-N 0 0 235.371 3.648 20 0 BHADRN CCC[C@@H](C)[C@H](CC)Nc1cn(C)nc1CC ZINC000539681256 388770523 /nfs/dbraw/zinc/77/05/23/388770523.db2.gz DCMLYWUOOGFPJC-NEPJUHHUSA-N 0 0 237.391 3.609 20 0 BHADRN CCC[C@H](C)[C@@H](CC)Nc1cn(C)nc1CC ZINC000539681257 388770010 /nfs/dbraw/zinc/77/00/10/388770010.db2.gz DCMLYWUOOGFPJC-NWDGAFQWSA-N 0 0 237.391 3.609 20 0 BHADRN CCC[C@H](C)[C@H](CC)Nc1cn(C)nc1CC ZINC000539681258 388770090 /nfs/dbraw/zinc/77/00/90/388770090.db2.gz DCMLYWUOOGFPJC-RYUDHWBXSA-N 0 0 237.391 3.609 20 0 BHADRN CCC[C@@H](C)[C@@H](CC)Nc1cn(C)nc1CC ZINC000539681259 324851730 /nfs/dbraw/zinc/85/17/30/324851730.db2.gz DCMLYWUOOGFPJC-VXGBXAGGSA-N 0 0 237.391 3.609 20 0 BHADRN CC[C@H]1CCC[C@@H]1Nc1cnn(CC(C)C)c1C ZINC000539681413 388769823 /nfs/dbraw/zinc/76/98/23/388769823.db2.gz KCSYEGJLEYYHRZ-KBPBESRZSA-N 0 0 249.402 3.838 20 0 BHADRN CC[C@@H]1CCC[C@@H]1Nc1cnn(CC(C)C)c1C ZINC000539681414 324852393 /nfs/dbraw/zinc/85/23/93/324852393.db2.gz KCSYEGJLEYYHRZ-KGLIPLIRSA-N 0 0 249.402 3.838 20 0 BHADRN CC[C@H]1CCC[C@H]1Nc1cnn(CC(C)C)c1C ZINC000539681415 388770463 /nfs/dbraw/zinc/77/04/63/388770463.db2.gz KCSYEGJLEYYHRZ-UONOGXRCSA-N 0 0 249.402 3.838 20 0 BHADRN CC[C@@H]1CCC[C@H]1Nc1cnn(CC(C)C)c1C ZINC000539681416 388770032 /nfs/dbraw/zinc/77/00/32/388770032.db2.gz KCSYEGJLEYYHRZ-ZIAGYGMSSA-N 0 0 249.402 3.838 20 0 BHADRN CCc1nn(C)cc1N[C@H](C)CCC=C(C)C ZINC000539681915 388770003 /nfs/dbraw/zinc/77/00/03/388770003.db2.gz VPSFVHZHNFDAFR-GFCCVEGCSA-N 0 0 235.375 3.529 20 0 BHADRN CCc1nn(C)cc1N[C@@H](C)CCC=C(C)C ZINC000539681917 324852363 /nfs/dbraw/zinc/85/23/63/324852363.db2.gz VPSFVHZHNFDAFR-LBPRGKRZSA-N 0 0 235.375 3.529 20 0 BHADRN CC1(C)CC(NC(=O)C2=CCCC2)CC(C)(C)C1 ZINC000539681950 324852723 /nfs/dbraw/zinc/85/27/23/324852723.db2.gz HJHPWZOHJGSSKW-UHFFFAOYSA-N 0 0 249.398 3.818 20 0 BHADRN Cc1c(N[C@H](C)CC(C)C)cnn1CC(C)C ZINC000539682844 388771879 /nfs/dbraw/zinc/77/18/79/388771879.db2.gz ZPAVDFWCACQMQR-GFCCVEGCSA-N 0 0 237.391 3.694 20 0 BHADRN Cc1c(N[C@@H](C)CC(C)C)cnn1CC(C)C ZINC000539682845 388771896 /nfs/dbraw/zinc/77/18/96/388771896.db2.gz ZPAVDFWCACQMQR-LBPRGKRZSA-N 0 0 237.391 3.694 20 0 BHADRN Cc1cc2cccnc2c(N[C@H](C)C2CC2)c1 ZINC000539691476 388771838 /nfs/dbraw/zinc/77/18/38/388771838.db2.gz LSWRYYVBPSDEHT-LLVKDONJSA-N 0 0 226.323 3.754 20 0 BHADRN Cc1cc2cccnc2c(N[C@@H](C)C2CC2)c1 ZINC000539691477 324852642 /nfs/dbraw/zinc/85/26/42/324852642.db2.gz LSWRYYVBPSDEHT-NSHDSACASA-N 0 0 226.323 3.754 20 0 BHADRN Cc1cnc(SCCCC(C)(C)C)nc1 ZINC000539705396 324854364 /nfs/dbraw/zinc/85/43/64/324854364.db2.gz GTDHQCBYWWZLSO-UHFFFAOYSA-N 0 0 224.373 3.703 20 0 BHADRN CC(C)C[C@@H](C)CSc1nccn2ccnc12 ZINC000539708192 388771656 /nfs/dbraw/zinc/77/16/56/388771656.db2.gz BZHYJURWJFMOSF-LLVKDONJSA-N 0 0 249.383 3.504 20 0 BHADRN CC(C)C[C@H](C)CSc1nccn2ccnc12 ZINC000539708193 324854570 /nfs/dbraw/zinc/85/45/70/324854570.db2.gz BZHYJURWJFMOSF-NSHDSACASA-N 0 0 249.383 3.504 20 0 BHADRN CC(C)C[C@@H](C)CSC[C@@H]1CCCO1 ZINC000539708345 388771159 /nfs/dbraw/zinc/77/11/59/388771159.db2.gz SGJKREJJQPJQQZ-NEPJUHHUSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)C[C@H](C)CSC[C@H]1CCCO1 ZINC000539708346 388772469 /nfs/dbraw/zinc/77/24/69/388772469.db2.gz SGJKREJJQPJQQZ-NWDGAFQWSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)C[C@H](C)CSC[C@@H]1CCCO1 ZINC000539708347 324854575 /nfs/dbraw/zinc/85/45/75/324854575.db2.gz SGJKREJJQPJQQZ-RYUDHWBXSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)C[C@@H](C)CSC[C@H]1CCCO1 ZINC000539708348 388772272 /nfs/dbraw/zinc/77/22/72/388772272.db2.gz SGJKREJJQPJQQZ-VXGBXAGGSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)C[C@@H](C)CS[C@H]1CCCOC1 ZINC000539708356 324854224 /nfs/dbraw/zinc/85/42/24/324854224.db2.gz UAWATSLNWATAFX-NEPJUHHUSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)C[C@H](C)CS[C@@H]1CCCOC1 ZINC000539708357 324854589 /nfs/dbraw/zinc/85/45/89/324854589.db2.gz UAWATSLNWATAFX-NWDGAFQWSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)C[C@H](C)CS[C@H]1CCCOC1 ZINC000539708358 324854231 /nfs/dbraw/zinc/85/42/31/324854231.db2.gz UAWATSLNWATAFX-RYUDHWBXSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)C[C@@H](C)CS[C@@H]1CCCOC1 ZINC000539708359 324854357 /nfs/dbraw/zinc/85/43/57/324854357.db2.gz UAWATSLNWATAFX-VXGBXAGGSA-N 0 0 216.390 3.581 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1c(C)nn(C)c1C ZINC000539714120 388772568 /nfs/dbraw/zinc/77/25/68/388772568.db2.gz KYFFRLSRFBSXQP-LLVKDONJSA-N 0 0 235.375 3.584 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1c(C)nn(C)c1C ZINC000539714121 324854285 /nfs/dbraw/zinc/85/42/85/324854285.db2.gz KYFFRLSRFBSXQP-NSHDSACASA-N 0 0 235.375 3.584 20 0 BHADRN CC[C@H](Nc1cc(C)ccc1C)C1CCOCC1 ZINC000539719676 324854188 /nfs/dbraw/zinc/85/41/88/324854188.db2.gz WNVMQBJNVXCRLO-HNNXBMFYSA-N 0 0 247.382 3.921 20 0 BHADRN CC[C@@H](Nc1cc(C)ccc1C)C1CCOCC1 ZINC000539719677 388771844 /nfs/dbraw/zinc/77/18/44/388771844.db2.gz WNVMQBJNVXCRLO-OAHLLOKOSA-N 0 0 247.382 3.921 20 0 BHADRN CC(C)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000539726709 324854916 /nfs/dbraw/zinc/85/49/16/324854916.db2.gz GQWIVDMTQYMZLF-UHFFFAOYSA-N 0 0 245.370 3.691 20 0 BHADRN COc1c(F)cc(F)cc1N[C@@H]1CCC[C@@H]1C ZINC000539736003 388772835 /nfs/dbraw/zinc/77/28/35/388772835.db2.gz XJVMJXUSQJOSMI-GZMMTYOYSA-N 0 0 241.281 3.574 20 0 BHADRN COc1c(F)cc(F)cc1N[C@H]1CCC[C@H]1C ZINC000539736004 324855248 /nfs/dbraw/zinc/85/52/48/324855248.db2.gz XJVMJXUSQJOSMI-KCJUWKMLSA-N 0 0 241.281 3.574 20 0 BHADRN COc1c(F)cc(F)cc1N[C@H]1CCC[C@@H]1C ZINC000539736005 324854977 /nfs/dbraw/zinc/85/49/77/324854977.db2.gz XJVMJXUSQJOSMI-KWQFWETISA-N 0 0 241.281 3.574 20 0 BHADRN COc1c(F)cc(F)cc1N[C@@H]1CCC[C@H]1C ZINC000539736006 388773881 /nfs/dbraw/zinc/77/38/81/388773881.db2.gz XJVMJXUSQJOSMI-LDYMZIIASA-N 0 0 241.281 3.574 20 0 BHADRN CC[C@H](Nc1cccc([C@@H](C)OC)c1)C1CC1 ZINC000539736222 324855290 /nfs/dbraw/zinc/85/52/90/324855290.db2.gz PJLRRUGMAJVWEW-ABAIWWIYSA-N 0 0 233.355 3.995 20 0 BHADRN CC[C@@H](Nc1cccc([C@@H](C)OC)c1)C1CC1 ZINC000539736223 388773739 /nfs/dbraw/zinc/77/37/39/388773739.db2.gz PJLRRUGMAJVWEW-IAQYHMDHSA-N 0 0 233.355 3.995 20 0 BHADRN CC[C@H](Nc1cccc([C@H](C)OC)c1)C1CC1 ZINC000539736224 388773287 /nfs/dbraw/zinc/77/32/87/388773287.db2.gz PJLRRUGMAJVWEW-NHYWBVRUSA-N 0 0 233.355 3.995 20 0 BHADRN CC[C@@H](Nc1cccc([C@H](C)OC)c1)C1CC1 ZINC000539736225 324855296 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20 0 BHADRN CCc1ccc(NC(=O)N(C)[C@@H](C)CC)cc1C ZINC000539871523 324871579 /nfs/dbraw/zinc/87/15/79/324871579.db2.gz DGYDQUOJFZPEAM-LBPRGKRZSA-N 0 0 248.370 3.820 20 0 BHADRN CCCN(CC)C(=O)Nc1ccc(CC)c(C)c1 ZINC000539872061 388785653 /nfs/dbraw/zinc/78/56/53/388785653.db2.gz SZCXQKMQFBFJKG-UHFFFAOYSA-N 0 0 248.370 3.821 20 0 BHADRN CCc1ccc(NC(=O)N(C)C2CCC2)cc1C ZINC000539874970 324872972 /nfs/dbraw/zinc/87/29/72/324872972.db2.gz WEVZIAVNKMQMBU-UHFFFAOYSA-N 0 0 246.354 3.574 20 0 BHADRN CC(C)COc1cccc(Oc2cccnc2)c1 ZINC000539881042 388786853 /nfs/dbraw/zinc/78/68/53/388786853.db2.gz LQRCXOPYPARULN-UHFFFAOYSA-N 0 0 243.306 3.909 20 0 BHADRN CCc1ccc(NC(=O)CC2CCC2)cc1C ZINC000539894832 324874231 /nfs/dbraw/zinc/87/42/31/324874231.db2.gz OUECBFGOOGIMCA-UHFFFAOYSA-N 0 0 231.339 3.686 20 0 BHADRN CCc1ccc(NC(=O)c2occc2C)cc1C ZINC000539897118 324874374 /nfs/dbraw/zinc/87/43/74/324874374.db2.gz ZEKAHTRGEBQQCW-UHFFFAOYSA-N 0 0 243.306 3.711 20 0 BHADRN CCc1ccc(NC(=O)C2CCCC2)cc1C ZINC000539898040 324874754 /nfs/dbraw/zinc/87/47/54/324874754.db2.gz IZNRKRVOGPXDNH-UHFFFAOYSA-N 0 0 231.339 3.686 20 0 BHADRN CCc1ccc(NC(=O)C2(CC)CC2)cc1C ZINC000539898410 324874448 /nfs/dbraw/zinc/87/44/48/324874448.db2.gz QIRNKAXOCLOLFZ-UHFFFAOYSA-N 0 0 231.339 3.686 20 0 BHADRN Cc1ccc(CN(CC(F)F)C(C)C)cc1C ZINC000539899097 388787273 /nfs/dbraw/zinc/78/72/73/388787273.db2.gz OTDLDMQMTAYXBT-UHFFFAOYSA-N 0 0 241.325 3.779 20 0 BHADRN CCc1ccc(NC(=O)C2(C)CCC2)cc1C ZINC000539899172 388787549 /nfs/dbraw/zinc/78/75/49/388787549.db2.gz AMBBKCICYZXKAP-UHFFFAOYSA-N 0 0 231.339 3.686 20 0 BHADRN CCc1ccc(NC(=O)[C@H]2CC=CCC2)cc1C ZINC000539899639 388786937 /nfs/dbraw/zinc/78/69/37/388786937.db2.gz IFXYFIYJAGOTNB-AWEZNQCLSA-N 0 0 243.350 3.852 20 0 BHADRN CCc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1C ZINC000539899641 324874330 /nfs/dbraw/zinc/87/43/30/324874330.db2.gz IFXYFIYJAGOTNB-CQSZACIVSA-N 0 0 243.350 3.852 20 0 BHADRN COc1c(F)cc(F)cc1N[C@@H]1CC[C@@H](C)C1 ZINC000539921298 324876407 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/nfs/dbraw/zinc/87/87/62/324878762.db2.gz WBGDKWSVKOZJIJ-TZMCWYRMSA-N 0 0 242.428 3.973 20 0 BHADRN CN(Cc1c(F)cccc1F)c1ccccc1 ZINC000539962613 388791470 /nfs/dbraw/zinc/79/14/70/388791470.db2.gz UGBHVIRVNUZTQL-UHFFFAOYSA-N 0 0 233.261 3.601 20 0 BHADRN CN(Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000539962892 324879650 /nfs/dbraw/zinc/87/96/50/324879650.db2.gz GHLHAJDNPGKMNR-UHFFFAOYSA-N 0 0 233.261 3.601 20 0 BHADRN CN(Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000539963185 324879868 /nfs/dbraw/zinc/87/98/68/324879868.db2.gz LYYFQWYKTVXKGF-UHFFFAOYSA-N 0 0 236.318 3.804 20 0 BHADRN Cc1ccc2ncnc(NC3(C)CCCC3)c2c1 ZINC000539969080 388791054 /nfs/dbraw/zinc/79/10/54/388791054.db2.gz LLMAMYPXGZWATK-UHFFFAOYSA-N 0 0 241.338 3.683 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ncc(C)o2)cc1F ZINC000539973706 324880431 /nfs/dbraw/zinc/88/04/31/324880431.db2.gz JKWUEPRMOPIUMJ-JTQLQIEISA-N 0 0 248.301 3.858 20 0 BHADRN CCc1ccc(N[C@H](C)c2ncc(C)o2)cc1F ZINC000539973707 324880639 /nfs/dbraw/zinc/88/06/39/324880639.db2.gz 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RCMQFDVRWSKPSL-MCIONIFRSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC23CCCCC3)C1 ZINC000539993369 324880482 /nfs/dbraw/zinc/88/04/82/324880482.db2.gz RCMQFDVRWSKPSL-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N[C@H]2CC23CCCCC3)C1 ZINC000539993370 388791494 /nfs/dbraw/zinc/79/14/94/388791494.db2.gz RCMQFDVRWSKPSL-RDBSUJKOSA-N 0 0 249.398 3.652 20 0 BHADRN CCCC1(C(=O)N[C@@H]2CC23CCCCC3)CCC1 ZINC000539994854 388790870 /nfs/dbraw/zinc/79/08/70/388790870.db2.gz YDLCTRAPTCEQIS-CYBMUJFWSA-N 0 0 249.398 3.796 20 0 BHADRN CCCC1(C(=O)N[C@H]2CC23CCCCC3)CCC1 ZINC000539994856 388790939 /nfs/dbraw/zinc/79/09/39/388790939.db2.gz YDLCTRAPTCEQIS-ZDUSSCGKSA-N 0 0 249.398 3.796 20 0 BHADRN CCC1(C(=O)N[C@@H]2CC23CCCCC3)CCCC1 ZINC000539994869 388791327 /nfs/dbraw/zinc/79/13/27/388791327.db2.gz YESDEBGQHWBKEQ-CYBMUJFWSA-N 0 0 249.398 3.796 20 0 BHADRN CCC1(C(=O)N[C@H]2CC23CCCCC3)CCCC1 ZINC000539994871 388791180 /nfs/dbraw/zinc/79/11/80/388791180.db2.gz 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HNKMEVDWUSHFFU-NEPJUHHUSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)CCC(C)(C)C ZINC000540088742 388795165 /nfs/dbraw/zinc/79/51/65/388795165.db2.gz HNKMEVDWUSHFFU-NWDGAFQWSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)CCC(C)(C)C ZINC000540088744 324885801 /nfs/dbraw/zinc/88/58/01/324885801.db2.gz HNKMEVDWUSHFFU-RYUDHWBXSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)CCC(C)(C)C ZINC000540088836 324885710 /nfs/dbraw/zinc/88/57/10/324885710.db2.gz HNKMEVDWUSHFFU-VXGBXAGGSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@@H](C)CC(C)C ZINC000540090330 324885630 /nfs/dbraw/zinc/88/56/30/324885630.db2.gz YMVNSFRVUNKQFM-BFHYXJOUSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)C[C@H](C)CC(C)C ZINC000540090331 388795121 /nfs/dbraw/zinc/79/51/21/388795121.db2.gz YMVNSFRVUNKQFM-HZSPNIEDSA-N 0 0 239.403 3.848 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)C[C@@H](C)CC(C)C ZINC000540090332 388794348 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CC[C@H](C)C(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000540451090 388806500 /nfs/dbraw/zinc/80/65/00/388806500.db2.gz GIEOHILPDJLIPM-LBPRGKRZSA-N 0 0 241.419 3.953 20 0 BHADRN CCc1ccc(NC(=O)[C@H](C)C2CC2)cc1CC ZINC000540451603 324900350 /nfs/dbraw/zinc/90/03/50/324900350.db2.gz SMFKRIFJWBGANE-LLVKDONJSA-N 0 0 245.366 3.796 20 0 BHADRN CCc1ccc(NC(=O)[C@@H](C)C2CC2)cc1CC ZINC000540451604 388805742 /nfs/dbraw/zinc/80/57/42/388805742.db2.gz SMFKRIFJWBGANE-NSHDSACASA-N 0 0 245.366 3.796 20 0 BHADRN CCOC(=O)[C@H](SC1CCCCC1)C(C)C ZINC000540498477 324901934 /nfs/dbraw/zinc/90/19/34/324901934.db2.gz BXLLDUOJOQUOTJ-GFCCVEGCSA-N 0 0 244.400 3.640 20 0 BHADRN CCOC(=O)[C@@H](SC1CCCCC1)C(C)C ZINC000540498482 388808093 /nfs/dbraw/zinc/80/80/93/388808093.db2.gz BXLLDUOJOQUOTJ-LBPRGKRZSA-N 0 0 244.400 3.640 20 0 BHADRN CC(C)[C@H]1CCN1Cc1c(F)cccc1Cl ZINC000540500457 388808040 /nfs/dbraw/zinc/80/80/40/388808040.db2.gz XUFYFKDUCRLWKH-CYBMUJFWSA-N 0 0 241.737 3.709 20 0 BHADRN CC(C)[C@@H]1CCN1Cc1c(F)cccc1Cl 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249.398 3.602 20 0 BHADRN Cc1ccc(C(=O)NCC2(C)CCCCCC2)o1 ZINC000540638169 324910130 /nfs/dbraw/zinc/91/01/30/324910130.db2.gz IFVUHBNCMGBRNU-UHFFFAOYSA-N 0 0 249.354 3.678 20 0 BHADRN Cc1cccc(F)c1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000540640282 388813141 /nfs/dbraw/zinc/81/31/41/388813141.db2.gz ZTOFHHYNUUCWGC-CMPLNLGQSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(F)c1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000540640283 324910496 /nfs/dbraw/zinc/91/04/96/324910496.db2.gz ZTOFHHYNUUCWGC-JQWIXIFHSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(F)c1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000540640284 324910906 /nfs/dbraw/zinc/91/09/06/324910906.db2.gz ZTOFHHYNUUCWGC-PWSUYJOCSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(F)c1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000540640285 388812757 /nfs/dbraw/zinc/81/27/57/388812757.db2.gz ZTOFHHYNUUCWGC-ZYHUDNBSSA-N 0 0 249.329 3.899 20 0 BHADRN CC[C@@H](C)C(=O)NCC1(C)CCCCCC1 ZINC000540641038 388812836 /nfs/dbraw/zinc/81/28/36/388812836.db2.gz QGJQXADMUXLXPK-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@H](C)C(=O)NCC1(C)CCCCCC1 ZINC000540641039 324910401 /nfs/dbraw/zinc/91/04/01/324910401.db2.gz QGJQXADMUXLXPK-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CC(C)CC(=O)NCC1(C)CCCCCC1 ZINC000540642212 388813131 /nfs/dbraw/zinc/81/31/31/388813131.db2.gz UMVJKQXYUFNMIQ-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CC1(CNC(=O)[C@H]2C[C@H]2C2CC2)CCCCCC1 ZINC000540642968 324910763 /nfs/dbraw/zinc/91/07/63/324910763.db2.gz GEWBDGULJAPBMQ-KBPBESRZSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)[C@@H]2C[C@H]2C2CC2)CCCCCC1 ZINC000540642971 388813033 /nfs/dbraw/zinc/81/30/33/388813033.db2.gz GEWBDGULJAPBMQ-UONOGXRCSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)[C@@H]2C[C@@H]2C2CC2)CCCCCC1 ZINC000540642973 324910461 /nfs/dbraw/zinc/91/04/61/324910461.db2.gz GEWBDGULJAPBMQ-ZIAGYGMSSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)C2CCCC2)CCCCCC1 ZINC000540643297 324910813 /nfs/dbraw/zinc/91/08/13/324910813.db2.gz MFNXPFXBURYGRV-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCCCC(=O)NCC1(C)CCCCCC1 ZINC000540643765 324910370 /nfs/dbraw/zinc/91/03/70/324910370.db2.gz RFRBZITYMPYXNG-UHFFFAOYSA-N 0 0 225.376 3.653 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@@H]2CC[C@@H](C)C2)c1C ZINC000540643940 388813637 /nfs/dbraw/zinc/81/36/37/388813637.db2.gz CEDADLTVDJHFDA-BXUZGUMPSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@H]2CC[C@H](C)C2)c1C ZINC000540643945 324910395 /nfs/dbraw/zinc/91/03/95/324910395.db2.gz CEDADLTVDJHFDA-FZMZJTMJSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@H]2CC[C@@H](C)C2)c1C ZINC000540643947 388813877 /nfs/dbraw/zinc/81/38/77/388813877.db2.gz CEDADLTVDJHFDA-RISCZKNCSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@@H]2CC[C@H](C)C2)c1C ZINC000540643949 388813469 /nfs/dbraw/zinc/81/34/69/388813469.db2.gz CEDADLTVDJHFDA-SMDDNHRTSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000540644543 388813903 /nfs/dbraw/zinc/81/39/03/388813903.db2.gz NAFAJLSHDAFQIP-BXUZGUMPSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000540644544 324910722 /nfs/dbraw/zinc/91/07/22/324910722.db2.gz NAFAJLSHDAFQIP-FZMZJTMJSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000540644545 324910937 /nfs/dbraw/zinc/91/09/37/324910937.db2.gz NAFAJLSHDAFQIP-RISCZKNCSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000540644546 388813391 /nfs/dbraw/zinc/81/33/91/388813391.db2.gz NAFAJLSHDAFQIP-SMDDNHRTSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000540644721 324910778 /nfs/dbraw/zinc/91/07/78/324910778.db2.gz QWSCQVUNVWPICY-BXUZGUMPSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000540644722 324910521 /nfs/dbraw/zinc/91/05/21/324910521.db2.gz QWSCQVUNVWPICY-FZMZJTMJSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000540644723 388813492 /nfs/dbraw/zinc/81/34/92/388813492.db2.gz QWSCQVUNVWPICY-RISCZKNCSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000540644724 388813484 /nfs/dbraw/zinc/81/34/84/388813484.db2.gz QWSCQVUNVWPICY-SMDDNHRTSA-N 0 0 245.366 3.702 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000540645304 324910640 /nfs/dbraw/zinc/91/06/40/324910640.db2.gz MAUKYSFFTNIJIM-GXTWGEPZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@H]1CC[C@H](C)C1 ZINC000540645305 324910869 /nfs/dbraw/zinc/91/08/69/324910869.db2.gz MAUKYSFFTNIJIM-JSGCOSHPSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000540645306 324910874 /nfs/dbraw/zinc/91/08/74/324910874.db2.gz MAUKYSFFTNIJIM-OCCSQVGLSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)CN(CC)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000540645307 324910724 /nfs/dbraw/zinc/91/07/24/324910724.db2.gz MAUKYSFFTNIJIM-TZMCWYRMSA-N 0 0 239.403 3.707 20 0 BHADRN Cc1c(NC2CCCCC2)cnn1CC(C)C ZINC000540645862 324908920 /nfs/dbraw/zinc/90/89/20/324908920.db2.gz MZKOKRJGWJISHI-UHFFFAOYSA-N 0 0 235.375 3.592 20 0 BHADRN Cc1ccc(OCCSc2ccccc2)nc1 ZINC000540647376 324910606 /nfs/dbraw/zinc/91/06/06/324910606.db2.gz CZWUARCIYRRDEV-UHFFFAOYSA-N 0 0 245.347 3.561 20 0 BHADRN CCCCN(CCCC)C(=O)[C@H]1CC[C@H](C)C1 ZINC000540648085 324910941 /nfs/dbraw/zinc/91/09/41/324910941.db2.gz RVEKIIZWLFVIBP-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CCCC)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000540648086 388813380 /nfs/dbraw/zinc/81/33/80/388813380.db2.gz RVEKIIZWLFVIBP-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CCCC)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000540648087 388812167 /nfs/dbraw/zinc/81/21/67/388812167.db2.gz RVEKIIZWLFVIBP-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCN(CCCC)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000540648088 324908683 /nfs/dbraw/zinc/90/86/83/324908683.db2.gz RVEKIIZWLFVIBP-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC[C@@H](C)C1)C1CCCC1 ZINC000540648132 388813644 /nfs/dbraw/zinc/81/36/44/388813644.db2.gz IZBYHRUPTLVFLC-CHWSQXEVSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)[C@H]1CC[C@@H](C)C1)C1CCCC1 ZINC000540648133 324910504 /nfs/dbraw/zinc/91/05/04/324910504.db2.gz IZBYHRUPTLVFLC-OLZOCXBDSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC[C@H](C)C1)C1CCCC1 ZINC000540648134 388812592 /nfs/dbraw/zinc/81/25/92/388812592.db2.gz IZBYHRUPTLVFLC-QWHCGFSZSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)N(C(=O)[C@H]1CC[C@H](C)C1)C1CCCC1 ZINC000540648135 388813909 /nfs/dbraw/zinc/81/39/09/388813909.db2.gz IZBYHRUPTLVFLC-STQMWFEESA-N 0 0 237.387 3.602 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)c(C)c1 ZINC000540648541 324910773 /nfs/dbraw/zinc/91/07/73/324910773.db2.gz FTWVLHJSVNLYOU-AAEUAGOBSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)C2)c(C)c1 ZINC000540648542 324910441 /nfs/dbraw/zinc/91/04/41/324910441.db2.gz FTWVLHJSVNLYOU-DGCLKSJQSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)C2)c(C)c1 ZINC000540648543 388813056 /nfs/dbraw/zinc/81/30/56/388813056.db2.gz FTWVLHJSVNLYOU-WCQYABFASA-N 0 0 231.339 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CC[C@@H](C)C2)c(C)c1 ZINC000540648544 388812582 /nfs/dbraw/zinc/81/25/82/388812582.db2.gz FTWVLHJSVNLYOU-YPMHNXCESA-N 0 0 231.339 3.678 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000540649611 388812847 /nfs/dbraw/zinc/81/28/47/388812847.db2.gz VDJITXDFZKUTHR-GWCFXTLKSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000540649612 388813362 /nfs/dbraw/zinc/81/33/62/388813362.db2.gz VDJITXDFZKUTHR-GXFFZTMASA-N 0 0 231.339 3.678 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000540649613 324910831 /nfs/dbraw/zinc/91/08/31/324910831.db2.gz VDJITXDFZKUTHR-MFKMUULPSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000540649614 324910169 /nfs/dbraw/zinc/91/01/69/324910169.db2.gz VDJITXDFZKUTHR-ZWNOBZJWSA-N 0 0 231.339 3.678 20 0 BHADRN CCc1ccccc1NC(=O)[C@H]1CC[C@H](C)C1 ZINC000540649735 324910932 /nfs/dbraw/zinc/91/09/32/324910932.db2.gz BRMRYEOTFGBLIF-AAEUAGOBSA-N 0 0 231.339 3.624 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000540649736 324910625 /nfs/dbraw/zinc/91/06/25/324910625.db2.gz BRMRYEOTFGBLIF-DGCLKSJQSA-N 0 0 231.339 3.624 20 0 BHADRN CCc1ccccc1NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000540649737 324910434 /nfs/dbraw/zinc/91/04/34/324910434.db2.gz BRMRYEOTFGBLIF-WCQYABFASA-N 0 0 231.339 3.624 20 0 BHADRN CCc1ccccc1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000540649738 324910632 /nfs/dbraw/zinc/91/06/32/324910632.db2.gz BRMRYEOTFGBLIF-YPMHNXCESA-N 0 0 231.339 3.624 20 0 BHADRN CCCCCN(C(=O)[C@H]1CC[C@H](C)C1)C(C)C ZINC000540649822 388813249 /nfs/dbraw/zinc/81/32/49/388813249.db2.gz BYLSUSMENQYPSN-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCN(C(=O)[C@H]1CC[C@@H](C)C1)C(C)C ZINC000540649823 324910390 /nfs/dbraw/zinc/91/03/90/324910390.db2.gz BYLSUSMENQYPSN-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCN(C(=O)[C@@H]1CC[C@H](C)C1)C(C)C ZINC000540649824 324910531 /nfs/dbraw/zinc/91/05/31/324910531.db2.gz BYLSUSMENQYPSN-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCN(C(=O)[C@@H]1CC[C@@H](C)C1)C(C)C ZINC000540649825 324910890 /nfs/dbraw/zinc/91/08/90/324910890.db2.gz BYLSUSMENQYPSN-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC000540655942 324911204 /nfs/dbraw/zinc/91/12/04/324911204.db2.gz KGSFVRKJXPKRTN-ARILJUKYSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000540655943 324911386 /nfs/dbraw/zinc/91/13/86/324911386.db2.gz KGSFVRKJXPKRTN-CAEXGNQWSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)C1 ZINC000540655944 324911680 /nfs/dbraw/zinc/91/16/80/324911680.db2.gz KGSFVRKJXPKRTN-NIFZNCRKSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000540655945 388812643 /nfs/dbraw/zinc/81/26/43/388812643.db2.gz KGSFVRKJXPKRTN-QKGCVVFFSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCCC2(C)C)C1 ZINC000540656223 388812842 /nfs/dbraw/zinc/81/28/42/388812842.db2.gz KLSXLNPUBIBHJS-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCCC2(C)C)C1 ZINC000540656224 388812766 /nfs/dbraw/zinc/81/27/66/388812766.db2.gz KLSXLNPUBIBHJS-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCCC2(C)C)C1 ZINC000540656225 388812853 /nfs/dbraw/zinc/81/28/53/388812853.db2.gz KLSXLNPUBIBHJS-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCCC2(C)C)C1 ZINC000540656227 324909964 /nfs/dbraw/zinc/90/99/64/324909964.db2.gz KLSXLNPUBIBHJS-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC(C)(C)CNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000540656336 388813763 /nfs/dbraw/zinc/81/37/63/388813763.db2.gz DERRSTAALFPHLC-CHWSQXEVSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)CC(C)(C)CNC(=O)[C@H]1CC[C@@H](C)C1 ZINC000540656337 388813865 /nfs/dbraw/zinc/81/38/65/388813865.db2.gz DERRSTAALFPHLC-OLZOCXBDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)CC(C)(C)CNC(=O)[C@@H]1CC[C@H](C)C1 ZINC000540656338 324911430 /nfs/dbraw/zinc/91/14/30/324911430.db2.gz DERRSTAALFPHLC-QWHCGFSZSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)CC(C)(C)CNC(=O)[C@H]1CC[C@H](C)C1 ZINC000540656339 324911619 /nfs/dbraw/zinc/91/16/19/324911619.db2.gz DERRSTAALFPHLC-STQMWFEESA-N 0 0 239.403 3.611 20 0 BHADRN CCN(C(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1F ZINC000540663656 388813269 /nfs/dbraw/zinc/81/32/69/388813269.db2.gz LWLORHCJPAYJGO-NEPJUHHUSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@H](C)C1)c1ccccc1F ZINC000540663657 388813041 /nfs/dbraw/zinc/81/30/41/388813041.db2.gz LWLORHCJPAYJGO-NWDGAFQWSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@H]1CC[C@H](C)C1)c1ccccc1F ZINC000540663659 324912268 /nfs/dbraw/zinc/91/22/68/324912268.db2.gz LWLORHCJPAYJGO-RYUDHWBXSA-N 0 0 249.329 3.615 20 0 BHADRN CCN(C(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1F ZINC000540663661 323086690 /nfs/dbraw/zinc/08/66/90/323086690.db2.gz LWLORHCJPAYJGO-VXGBXAGGSA-N 0 0 249.329 3.615 20 0 BHADRN C[C@H](c1cccc(Cl)c1)N1CCC(F)(F)C1 ZINC000540671933 388812773 /nfs/dbraw/zinc/81/27/73/388812773.db2.gz DGEPFLONIFPQCG-SECBINFHSA-N 0 0 245.700 3.742 20 0 BHADRN C[C@@H](c1cccc(Cl)c1)N1CCC(F)(F)C1 ZINC000540671938 324912496 /nfs/dbraw/zinc/91/24/96/324912496.db2.gz DGEPFLONIFPQCG-VIFPVBQESA-N 0 0 245.700 3.742 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C2CCCC2)C1 ZINC000540678796 324912922 /nfs/dbraw/zinc/91/29/22/324912922.db2.gz OODYATBYPUIAKZ-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2CCCC2)C1 ZINC000540678798 324913441 /nfs/dbraw/zinc/91/34/41/324913441.db2.gz OODYATBYPUIAKZ-SNPRPXQTSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C2CCCC2)C1 ZINC000540678799 388812598 /nfs/dbraw/zinc/81/25/98/388812598.db2.gz OODYATBYPUIAKZ-VHDGCEQUSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C2CCCC2)C1 ZINC000540678801 324912588 /nfs/dbraw/zinc/91/25/88/324912588.db2.gz OODYATBYPUIAKZ-YUELXQCFSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(CC)Nc1cncc(-c2ccccc2)n1 ZINC000540705494 388814816 /nfs/dbraw/zinc/81/48/16/388814816.db2.gz KLLCNYFAOJLLTH-UHFFFAOYSA-N 0 0 241.338 3.744 20 0 BHADRN CC[C@H](Nc1cccc(C)c1)C1CCOCC1 ZINC000540708636 324914006 /nfs/dbraw/zinc/91/40/06/324914006.db2.gz QZGUOZJRVZXLGP-HNNXBMFYSA-N 0 0 233.355 3.612 20 0 BHADRN CC[C@@H](Nc1cccc(C)c1)C1CCOCC1 ZINC000540708638 388814620 /nfs/dbraw/zinc/81/46/20/388814620.db2.gz QZGUOZJRVZXLGP-OAHLLOKOSA-N 0 0 233.355 3.612 20 0 BHADRN CCc1ccc(N[C@@H](CC)C2CCOCC2)cc1 ZINC000540710442 324914316 /nfs/dbraw/zinc/91/43/16/324914316.db2.gz VBXOZDOIXMAMPW-INIZCTEOSA-N 0 0 247.382 3.866 20 0 BHADRN CCc1ccc(N[C@H](CC)C2CCOCC2)cc1 ZINC000540710443 388814647 /nfs/dbraw/zinc/81/46/47/388814647.db2.gz VBXOZDOIXMAMPW-MRXNPFEDSA-N 0 0 247.382 3.866 20 0 BHADRN CC(C)CCCSc1ncc(Cl)cn1 ZINC000540710798 324914281 /nfs/dbraw/zinc/91/42/81/324914281.db2.gz PRMVJDNRWZNJLT-UHFFFAOYSA-N 0 0 230.764 3.658 20 0 BHADRN CC(C)CCCSCc1nnc(C2CC2)o1 ZINC000540715843 324914299 /nfs/dbraw/zinc/91/42/99/324914299.db2.gz SEGXKJIOVSNNRD-UHFFFAOYSA-N 0 0 240.372 3.616 20 0 BHADRN CC(C)CCCSC[C@@H]1CCCOC1 ZINC000540716407 388815586 /nfs/dbraw/zinc/81/55/86/388815586.db2.gz OGQUWKQSFGAAIY-GFCCVEGCSA-N 0 0 216.390 3.582 20 0 BHADRN CC(C)CCCSC[C@H]1CCCOC1 ZINC000540716408 324914351 /nfs/dbraw/zinc/91/43/51/324914351.db2.gz OGQUWKQSFGAAIY-LBPRGKRZSA-N 0 0 216.390 3.582 20 0 BHADRN Cc1cccc(C)c1Cc1nc(C(C)(C)C)no1 ZINC000540726348 388815251 /nfs/dbraw/zinc/81/52/51/388815251.db2.gz PWRXYFGZVCDWER-UHFFFAOYSA-N 0 0 244.338 3.575 20 0 BHADRN CC[C@@H](C)CSCc1cnc2ccccn12 ZINC000540728144 388815515 /nfs/dbraw/zinc/81/55/15/388815515.db2.gz HBPWJAYKRYJQLE-LLVKDONJSA-N 0 0 234.368 3.614 20 0 BHADRN CC[C@H](C)CSCc1cnc2ccccn12 ZINC000540728146 388814777 /nfs/dbraw/zinc/81/47/77/388814777.db2.gz HBPWJAYKRYJQLE-NSHDSACASA-N 0 0 234.368 3.614 20 0 BHADRN CC(C)[C@@H](C)SCc1cnc2ccccn12 ZINC000540729405 388815748 /nfs/dbraw/zinc/81/57/48/388815748.db2.gz LKQVLBFTMVLVNF-LLVKDONJSA-N 0 0 234.368 3.612 20 0 BHADRN CC(C)[C@H](C)SCc1cnc2ccccn12 ZINC000540729406 388815081 /nfs/dbraw/zinc/81/50/81/388815081.db2.gz LKQVLBFTMVLVNF-NSHDSACASA-N 0 0 234.368 3.612 20 0 BHADRN CC[C@@H](C)COc1cccc(C(F)(F)F)n1 ZINC000540731671 324914797 /nfs/dbraw/zinc/91/47/97/324914797.db2.gz JNCWVJSICUUSBI-MRVPVSSYSA-N 0 0 233.233 3.525 20 0 BHADRN CC[C@H](C)COc1cccc(C(F)(F)F)n1 ZINC000540731676 324915013 /nfs/dbraw/zinc/91/50/13/324915013.db2.gz JNCWVJSICUUSBI-QMMMGPOBSA-N 0 0 233.233 3.525 20 0 BHADRN COC[C@@H](CC(C)C)Nc1cc(C)ccc1F ZINC000540744629 324915929 /nfs/dbraw/zinc/91/59/29/324915929.db2.gz PMUSGYFYCNANOL-GFCCVEGCSA-N 0 0 239.334 3.607 20 0 BHADRN COC[C@H](CC(C)C)Nc1cc(C)ccc1F ZINC000540744630 388816503 /nfs/dbraw/zinc/81/65/03/388816503.db2.gz PMUSGYFYCNANOL-LBPRGKRZSA-N 0 0 239.334 3.607 20 0 BHADRN CC[C@H](Nc1cnn(CC)c1)C1CCCCC1 ZINC000540744879 388816340 /nfs/dbraw/zinc/81/63/40/388816340.db2.gz WVMMCRHDERGVKT-AWEZNQCLSA-N 0 0 235.375 3.674 20 0 BHADRN CC[C@@H](Nc1cnn(CC)c1)C1CCCCC1 ZINC000540744880 388816319 /nfs/dbraw/zinc/81/63/19/388816319.db2.gz WVMMCRHDERGVKT-CQSZACIVSA-N 0 0 235.375 3.674 20 0 BHADRN CCCC[C@H](COC)Nc1ccc(F)c(F)c1 ZINC000540746124 398127871 /nfs/dbraw/zinc/12/78/71/398127871.db2.gz MOUBXFMFLHVHKC-LLVKDONJSA-N 0 0 243.297 3.582 20 0 BHADRN CCCC[C@@H](COC)Nc1ccc(F)c(F)c1 ZINC000540746125 398127906 /nfs/dbraw/zinc/12/79/06/398127906.db2.gz MOUBXFMFLHVHKC-NSHDSACASA-N 0 0 243.297 3.582 20 0 BHADRN CC(C)[C@@H](C)Nc1cc(F)ccc1OC(F)F ZINC000540749743 324915922 /nfs/dbraw/zinc/91/59/22/324915922.db2.gz NRFSRHSZPVSZGR-MRVPVSSYSA-N 0 0 247.260 3.884 20 0 BHADRN CC(C)[C@H](C)Nc1cc(F)ccc1OC(F)F ZINC000540749746 388817015 /nfs/dbraw/zinc/81/70/15/388817015.db2.gz NRFSRHSZPVSZGR-QMMMGPOBSA-N 0 0 247.260 3.884 20 0 BHADRN CCOCc1cccc(N[C@@H](CC)C2CC2)c1 ZINC000540750083 388816437 /nfs/dbraw/zinc/81/64/37/388816437.db2.gz XHUQPRNWIALZAU-HNNXBMFYSA-N 0 0 233.355 3.824 20 0 BHADRN CCOCc1cccc(N[C@H](CC)C2CC2)c1 ZINC000540750084 324915886 /nfs/dbraw/zinc/91/58/86/324915886.db2.gz XHUQPRNWIALZAU-OAHLLOKOSA-N 0 0 233.355 3.824 20 0 BHADRN CC(C)[C@H](C)Nc1ccccc1OCC(F)F ZINC000540751397 388816916 /nfs/dbraw/zinc/81/69/16/388816916.db2.gz DVGNWBCSOLLRSC-JTQLQIEISA-N 0 0 243.297 3.787 20 0 BHADRN CC(C)[C@@H](C)Nc1ccccc1OCC(F)F ZINC000540751460 388817141 /nfs/dbraw/zinc/81/71/41/388817141.db2.gz DVGNWBCSOLLRSC-SNVBAGLBSA-N 0 0 243.297 3.787 20 0 BHADRN c1cc2c(c(NC(C3CC3)C3CC3)c1)OCCC2 ZINC000540753350 324916559 /nfs/dbraw/zinc/91/65/59/324916559.db2.gz ONFWXZYVNREGBS-UHFFFAOYSA-N 0 0 243.350 3.612 20 0 BHADRN Cc1c(N[C@@H]2CCCC[C@H]2C(C)(C)C)cnn1C ZINC000540777576 324918189 /nfs/dbraw/zinc/91/81/89/324918189.db2.gz VBILCKOCCRZSFC-CHWSQXEVSA-N 0 0 249.402 3.745 20 0 BHADRN Cc1c(N[C@H]2CCCC[C@H]2C(C)(C)C)cnn1C ZINC000540777577 324918332 /nfs/dbraw/zinc/91/83/32/324918332.db2.gz VBILCKOCCRZSFC-OLZOCXBDSA-N 0 0 249.402 3.745 20 0 BHADRN Cc1c(N[C@@H]2CCCC[C@@H]2C(C)(C)C)cnn1C ZINC000540777578 388818728 /nfs/dbraw/zinc/81/87/28/388818728.db2.gz VBILCKOCCRZSFC-QWHCGFSZSA-N 0 0 249.402 3.745 20 0 BHADRN Cc1c(N[C@H]2CCCC[C@@H]2C(C)(C)C)cnn1C ZINC000540777579 324918360 /nfs/dbraw/zinc/91/83/60/324918360.db2.gz VBILCKOCCRZSFC-STQMWFEESA-N 0 0 249.402 3.745 20 0 BHADRN CCCC[C@@H](C)Nc1cnn(CC(C)C)c1C ZINC000540777651 388818669 /nfs/dbraw/zinc/81/86/69/388818669.db2.gz IXLXDQDPPXESIN-GFCCVEGCSA-N 0 0 237.391 3.838 20 0 BHADRN CCCC[C@H](C)Nc1cnn(CC(C)C)c1C ZINC000540777656 388818074 /nfs/dbraw/zinc/81/80/74/388818074.db2.gz IXLXDQDPPXESIN-LBPRGKRZSA-N 0 0 237.391 3.838 20 0 BHADRN CCCCn1ncc(N[C@@H](C)[C@H](C)CC)c1C ZINC000540778491 324918266 /nfs/dbraw/zinc/91/82/66/324918266.db2.gz CHGLYAIWNAEZIE-NEPJUHHUSA-N 0 0 237.391 3.838 20 0 BHADRN CCCCn1ncc(N[C@H](C)[C@@H](C)CC)c1C ZINC000540778493 388818308 /nfs/dbraw/zinc/81/83/08/388818308.db2.gz CHGLYAIWNAEZIE-NWDGAFQWSA-N 0 0 237.391 3.838 20 0 BHADRN CCCCn1ncc(N[C@@H](C)[C@@H](C)CC)c1C ZINC000540778495 324918363 /nfs/dbraw/zinc/91/83/63/324918363.db2.gz CHGLYAIWNAEZIE-RYUDHWBXSA-N 0 0 237.391 3.838 20 0 BHADRN CCCCn1ncc(N[C@H](C)[C@H](C)CC)c1C ZINC000540778496 324918117 /nfs/dbraw/zinc/91/81/17/324918117.db2.gz CHGLYAIWNAEZIE-VXGBXAGGSA-N 0 0 237.391 3.838 20 0 BHADRN CCc1ccc(N[C@H](C)[C@H](C)OC)cc1CC ZINC000540778716 324918205 /nfs/dbraw/zinc/91/82/05/324918205.db2.gz GSAUMKBPRDSZIW-NEPJUHHUSA-N 0 0 235.371 3.647 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@@H](C)OC)cc1CC ZINC000540778717 324918175 /nfs/dbraw/zinc/91/81/75/324918175.db2.gz GSAUMKBPRDSZIW-NWDGAFQWSA-N 0 0 235.371 3.647 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@H](C)OC)cc1CC ZINC000540778718 324918263 /nfs/dbraw/zinc/91/82/63/324918263.db2.gz GSAUMKBPRDSZIW-RYUDHWBXSA-N 0 0 235.371 3.647 20 0 BHADRN CCc1ccc(N[C@H](C)[C@@H](C)OC)cc1CC ZINC000540778720 324915898 /nfs/dbraw/zinc/91/58/98/324915898.db2.gz GSAUMKBPRDSZIW-VXGBXAGGSA-N 0 0 235.371 3.647 20 0 BHADRN CCCCn1ncc(N[C@H](C)C(C)(C)C)c1C ZINC000540779627 388818711 /nfs/dbraw/zinc/81/87/11/388818711.db2.gz PURXHPXXSJBKFR-GFCCVEGCSA-N 0 0 237.391 3.838 20 0 BHADRN CCCCn1ncc(N[C@@H](C)C(C)(C)C)c1C ZINC000540779628 324918249 /nfs/dbraw/zinc/91/82/49/324918249.db2.gz PURXHPXXSJBKFR-LBPRGKRZSA-N 0 0 237.391 3.838 20 0 BHADRN CCCCn1ncc(N[C@H](C)C2CCCC2)c1C ZINC000540780227 324918458 /nfs/dbraw/zinc/91/84/58/324918458.db2.gz ZFICNSBUNRBJLY-GFCCVEGCSA-N 0 0 249.402 3.982 20 0 BHADRN CCCCn1ncc(N[C@@H](C)C2CCCC2)c1C ZINC000540780232 324918384 /nfs/dbraw/zinc/91/83/84/324918384.db2.gz ZFICNSBUNRBJLY-LBPRGKRZSA-N 0 0 249.402 3.982 20 0 BHADRN CCC[C@@H](CC)Nc1cnn(CC(C)C)c1C ZINC000540780424 324918412 /nfs/dbraw/zinc/91/84/12/324918412.db2.gz BDVVAWLPAGSXTA-CYBMUJFWSA-N 0 0 237.391 3.838 20 0 BHADRN CCC[C@H](CC)Nc1cnn(CC(C)C)c1C ZINC000540780425 324918327 /nfs/dbraw/zinc/91/83/27/324918327.db2.gz BDVVAWLPAGSXTA-ZDUSSCGKSA-N 0 0 237.391 3.838 20 0 BHADRN CCCCn1ncc(N[C@H](CC)C(C)C)c1C ZINC000540780985 388818611 /nfs/dbraw/zinc/81/86/11/388818611.db2.gz APMIYPJXFWXATQ-CYBMUJFWSA-N 0 0 237.391 3.838 20 0 BHADRN CCCCn1ncc(N[C@@H](CC)C(C)C)c1C ZINC000540780986 388818081 /nfs/dbraw/zinc/81/80/81/388818081.db2.gz APMIYPJXFWXATQ-ZDUSSCGKSA-N 0 0 237.391 3.838 20 0 BHADRN CCCCn1ncc(N[C@@H](C(C)C)C2CC2)c1C ZINC000540781967 324919151 /nfs/dbraw/zinc/91/91/51/324919151.db2.gz NHPWYRDMDNMIQU-HNNXBMFYSA-N 0 0 249.402 3.838 20 0 BHADRN CCCCn1ncc(N[C@H](C(C)C)C2CC2)c1C ZINC000540781969 388818218 /nfs/dbraw/zinc/81/82/18/388818218.db2.gz NHPWYRDMDNMIQU-OAHLLOKOSA-N 0 0 249.402 3.838 20 0 BHADRN Cc1c(N[C@H](C)c2ccoc2)cnn1CC(C)C ZINC000540783027 388817956 /nfs/dbraw/zinc/81/79/56/388817956.db2.gz XYHJUTZDGVGTDX-LLVKDONJSA-N 0 0 247.342 3.614 20 0 BHADRN Cc1c(N[C@@H](C)c2ccoc2)cnn1CC(C)C ZINC000540783038 388818574 /nfs/dbraw/zinc/81/85/74/388818574.db2.gz XYHJUTZDGVGTDX-NSHDSACASA-N 0 0 247.342 3.614 20 0 BHADRN CCCC[C@H](COC)Nc1ccc(F)c(C)c1 ZINC000540789287 324918890 /nfs/dbraw/zinc/91/88/90/324918890.db2.gz UNWKCATVTHUBFB-CYBMUJFWSA-N 0 0 239.334 3.751 20 0 BHADRN CCCC[C@@H](COC)Nc1ccc(F)c(C)c1 ZINC000540789288 324918999 /nfs/dbraw/zinc/91/89/99/324918999.db2.gz UNWKCATVTHUBFB-ZDUSSCGKSA-N 0 0 239.334 3.751 20 0 BHADRN Cc1cnc(SC[C@@H](C)CC(C)C)nc1 ZINC000540804894 388818167 /nfs/dbraw/zinc/81/81/67/388818167.db2.gz BFRONNIUPZGRLD-JTQLQIEISA-N 0 0 224.373 3.559 20 0 BHADRN Cc1cnc(SC[C@H](C)CC(C)C)nc1 ZINC000540804895 324919731 /nfs/dbraw/zinc/91/97/31/324919731.db2.gz BFRONNIUPZGRLD-SNVBAGLBSA-N 0 0 224.373 3.559 20 0 BHADRN CC(C)C[C@H](C)CS[C@@H]1CCO[C@@H]1C ZINC000540806828 388818284 /nfs/dbraw/zinc/81/82/84/388818284.db2.gz JXKBGHFMSYPLBJ-QJPTWQEYSA-N 0 0 216.390 3.579 20 0 BHADRN CC(C)C[C@H](C)CS[C@@H]1CCO[C@H]1C ZINC000540806829 324919873 /nfs/dbraw/zinc/91/98/73/324919873.db2.gz JXKBGHFMSYPLBJ-SDDRHHMPSA-N 0 0 216.390 3.579 20 0 BHADRN CC(C)C[C@H](C)CS[C@H]1CCO[C@H]1C ZINC000540806830 324920080 /nfs/dbraw/zinc/92/00/80/324920080.db2.gz JXKBGHFMSYPLBJ-SRVKXCTJSA-N 0 0 216.390 3.579 20 0 BHADRN CC(C)C[C@H](C)CS[C@H]1CCO[C@@H]1C ZINC000540806831 324919975 /nfs/dbraw/zinc/91/99/75/324919975.db2.gz JXKBGHFMSYPLBJ-TUAOUCFPSA-N 0 0 216.390 3.579 20 0 BHADRN CCCc1nnc(SC[C@@H](C)CC(C)C)o1 ZINC000540807664 324919904 /nfs/dbraw/zinc/91/99/04/324919904.db2.gz HGGNNJAYCJTVFS-JTQLQIEISA-N 0 0 242.388 3.796 20 0 BHADRN CCCc1nnc(SC[C@H](C)CC(C)C)o1 ZINC000540807665 324919862 /nfs/dbraw/zinc/91/98/62/324919862.db2.gz HGGNNJAYCJTVFS-SNVBAGLBSA-N 0 0 242.388 3.796 20 0 BHADRN CC(C)(C)CCCn1sc2ccccc2c1=O ZINC000540808049 324920009 /nfs/dbraw/zinc/92/00/09/324920009.db2.gz VXIBXDYYYQYYEE-UHFFFAOYSA-N 0 0 249.379 3.889 20 0 BHADRN CC[C@H](Nc1c(C)nn(C)c1C)C1CCCCC1 ZINC000540812965 388818294 /nfs/dbraw/zinc/81/82/94/388818294.db2.gz CATOFYJYYPVGJZ-AWEZNQCLSA-N 0 0 249.402 3.808 20 0 BHADRN CC[C@@H](Nc1c(C)nn(C)c1C)C1CCCCC1 ZINC000540812966 324920127 /nfs/dbraw/zinc/92/01/27/324920127.db2.gz CATOFYJYYPVGJZ-CQSZACIVSA-N 0 0 249.402 3.808 20 0 BHADRN Cc1nn(C)c(C)c1N[C@H](C)CCC1CCCC1 ZINC000540813605 388818452 /nfs/dbraw/zinc/81/84/52/388818452.db2.gz PHDFKVFHESIKIQ-LLVKDONJSA-N 0 0 249.402 3.808 20 0 BHADRN Cc1nn(C)c(C)c1N[C@@H](C)CCC1CCCC1 ZINC000540813606 324921018 /nfs/dbraw/zinc/92/10/18/324921018.db2.gz PHDFKVFHESIKIQ-NSHDSACASA-N 0 0 249.402 3.808 20 0 BHADRN CC[C@H](Nc1ccc(C)cc1C)C1CCOCC1 ZINC000540822463 388820179 /nfs/dbraw/zinc/82/01/79/388820179.db2.gz JKQUEKNZMXWZRW-HNNXBMFYSA-N 0 0 247.382 3.921 20 0 BHADRN CC[C@@H](Nc1ccc(C)cc1C)C1CCOCC1 ZINC000540822465 324921062 /nfs/dbraw/zinc/92/10/62/324921062.db2.gz JKQUEKNZMXWZRW-OAHLLOKOSA-N 0 0 247.382 3.921 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(F)cc1OC(F)F ZINC000540828339 324920638 /nfs/dbraw/zinc/92/06/38/324920638.db2.gz GHFZRHHZKFDUFM-MRVPVSSYSA-N 0 0 247.260 3.884 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(F)cc1OC(F)F ZINC000540828340 388819716 /nfs/dbraw/zinc/81/97/16/388819716.db2.gz GHFZRHHZKFDUFM-QMMMGPOBSA-N 0 0 247.260 3.884 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc2cnn(CC)c2c1 ZINC000540833192 388819858 /nfs/dbraw/zinc/81/98/58/388819858.db2.gz JJWXULPLMZCEHS-NEPJUHHUSA-N 0 0 245.370 3.903 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc2cnn(CC)c2c1 ZINC000540833196 324921408 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CWFPZQRQNGAYOW-UHFFFAOYSA-N 0 0 240.368 3.606 20 0 BHADRN CCCOc1ccc(-c2ccccc2)nc1 ZINC000540857433 388820821 /nfs/dbraw/zinc/82/08/21/388820821.db2.gz JAWOYRJEDPCHEE-UHFFFAOYSA-N 0 0 213.280 3.537 20 0 BHADRN CCCc1ccc(CSc2nccn2C)cc1 ZINC000540859386 388820946 /nfs/dbraw/zinc/82/09/46/388820946.db2.gz JMOZGSOLNSCXRK-UHFFFAOYSA-N 0 0 246.379 3.665 20 0 BHADRN CCCc1ccc(Cn2nc(C)cc2C)cc1 ZINC000540874231 324922994 /nfs/dbraw/zinc/92/29/94/324922994.db2.gz ZEXWLQDZECKBIO-UHFFFAOYSA-N 0 0 228.339 3.501 20 0 BHADRN CCc1cc(NC(=O)CC(C)(C)C)ccc1C ZINC000540890942 388822964 /nfs/dbraw/zinc/82/29/64/388822964.db2.gz NVPKYVVHDKLLOF-UHFFFAOYSA-N 0 0 233.355 3.932 20 0 BHADRN CCCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1C ZINC000540895637 388824380 /nfs/dbraw/zinc/82/43/80/388824380.db2.gz ZJVRFVNUCVPMHS-BLLLJJGKSA-N 0 0 245.366 3.616 20 0 BHADRN CCCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000540895638 388824238 /nfs/dbraw/zinc/82/42/38/388824238.db2.gz ZJVRFVNUCVPMHS-LRDDRELGSA-N 0 0 245.366 3.616 20 0 BHADRN CCCCC(=O)N[C@H]1c2ccccc2CC[C@H]1C ZINC000540895639 323089205 /nfs/dbraw/zinc/08/92/05/323089205.db2.gz ZJVRFVNUCVPMHS-MLGOLLRUSA-N 0 0 245.366 3.616 20 0 BHADRN CCCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000540895640 323089136 /nfs/dbraw/zinc/08/91/36/323089136.db2.gz ZJVRFVNUCVPMHS-WBMJQRKESA-N 0 0 245.366 3.616 20 0 BHADRN C[C@@H](NC/C=C/c1ccccc1)c1cscn1 ZINC000540918202 388826187 /nfs/dbraw/zinc/82/61/87/388826187.db2.gz NAPVVQGHWBXEDO-FZKGZDJFSA-N 0 0 244.363 3.507 20 0 BHADRN C[C@H](NC/C=C\c1ccccc1)c1cscn1 ZINC000540918203 324930852 /nfs/dbraw/zinc/93/08/52/324930852.db2.gz NAPVVQGHWBXEDO-JECSTDCCSA-N 0 0 244.363 3.507 20 0 BHADRN C[C@@H](NC/C=C\c1ccccc1)c1cscn1 ZINC000540918204 388826829 /nfs/dbraw/zinc/82/68/29/388826829.db2.gz NAPVVQGHWBXEDO-VVEJJEBESA-N 0 0 244.363 3.507 20 0 BHADRN C[C@H](NC/C=C/c1ccccc1)c1cscn1 ZINC000540918205 324930560 /nfs/dbraw/zinc/93/05/60/324930560.db2.gz NAPVVQGHWBXEDO-ZCRIDZFUSA-N 0 0 244.363 3.507 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000540942956 388828214 /nfs/dbraw/zinc/82/82/14/388828214.db2.gz FFBSNQVGASDXTG-QJPTWQEYSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000540942958 388828744 /nfs/dbraw/zinc/82/87/44/388828744.db2.gz FFBSNQVGASDXTG-SDDRHHMPSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000540942959 324933569 /nfs/dbraw/zinc/93/35/69/324933569.db2.gz FFBSNQVGASDXTG-SRVKXCTJSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000540942960 388828603 /nfs/dbraw/zinc/82/86/03/388828603.db2.gz FFBSNQVGASDXTG-TUAOUCFPSA-N 0 0 227.392 3.562 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NCCCC(C)(C)C ZINC000540951850 388829183 /nfs/dbraw/zinc/82/91/83/388829183.db2.gz OJCKQXASKJLURQ-NEPJUHHUSA-N 0 0 227.392 3.611 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NCCCC(C)(C)C ZINC000540951851 324935092 /nfs/dbraw/zinc/93/50/92/324935092.db2.gz OJCKQXASKJLURQ-NWDGAFQWSA-N 0 0 227.392 3.611 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NCCCC(C)(C)C ZINC000540951852 388830061 /nfs/dbraw/zinc/83/00/61/388830061.db2.gz OJCKQXASKJLURQ-RYUDHWBXSA-N 0 0 227.392 3.611 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)NCCCC(C)(C)C ZINC000540951853 324935168 /nfs/dbraw/zinc/93/51/68/324935168.db2.gz OJCKQXASKJLURQ-VXGBXAGGSA-N 0 0 227.392 3.611 20 0 BHADRN CC1(C(=O)NCCCC2CC2)CCCCCC1 ZINC000540970011 388831419 /nfs/dbraw/zinc/83/14/19/388831419.db2.gz YJXXAPZUTMGKBM-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CC1(c2ccccc2)CC(Nc2ccccn2)C1 ZINC000540973913 388834160 /nfs/dbraw/zinc/83/41/60/388834160.db2.gz UTKHHBXPULXJMG-UHFFFAOYSA-N 0 0 238.334 3.614 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000540996583 324940365 /nfs/dbraw/zinc/94/03/65/324940365.db2.gz MHUVWAOLDXWBDW-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)[C@H]1CCC(C)(C)C1 ZINC000540996584 388834840 /nfs/dbraw/zinc/83/48/40/388834840.db2.gz MHUVWAOLDXWBDW-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000540996585 324940224 /nfs/dbraw/zinc/94/02/24/324940224.db2.gz MHUVWAOLDXWBDW-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)[C@H]1CCC(C)(C)C1 ZINC000540996586 324940359 /nfs/dbraw/zinc/94/03/59/324940359.db2.gz MHUVWAOLDXWBDW-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN CCCC1(CNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000540997637 388835423 /nfs/dbraw/zinc/83/54/23/388835423.db2.gz FFHWUUOHKZPPNU-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC1(CNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000540997638 324940782 /nfs/dbraw/zinc/94/07/82/324940782.db2.gz FFHWUUOHKZPPNU-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H](C)CNc1cc(C2CCCC2)nn1C ZINC000541006340 388834685 /nfs/dbraw/zinc/83/46/85/388834685.db2.gz LSLPLZUOQOVZBZ-LLVKDONJSA-N 0 0 235.375 3.536 20 0 BHADRN CC[C@H](C)CNc1cc(C2CCCC2)nn1C ZINC000541006341 324941064 /nfs/dbraw/zinc/94/10/64/324941064.db2.gz LSLPLZUOQOVZBZ-NSHDSACASA-N 0 0 235.375 3.536 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000541012515 388835311 /nfs/dbraw/zinc/83/53/11/388835311.db2.gz LFITVIIIIMDRHM-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000541012516 388835667 /nfs/dbraw/zinc/83/56/67/388835667.db2.gz LFITVIIIIMDRHM-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC(C)(C)C2)c1F ZINC000541012639 324941397 /nfs/dbraw/zinc/94/13/97/324941397.db2.gz QTSLXWUAMBWHNX-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCC(C)(C)C2)c1F ZINC000541012640 324941406 /nfs/dbraw/zinc/94/14/06/324941406.db2.gz QTSLXWUAMBWHNX-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN CCc1cc(Oc2cc(C)ccc2C)nc(C)n1 ZINC000541046609 388838119 /nfs/dbraw/zinc/83/81/19/388838119.db2.gz AXKCHCLJOLBVDP-UHFFFAOYSA-N 0 0 242.322 3.757 20 0 BHADRN CCc1cc(SC2CCCCC2)nc(C)n1 ZINC000541047827 388838024 /nfs/dbraw/zinc/83/80/24/388838024.db2.gz MWWKJAQTEVRYIJ-UHFFFAOYSA-N 0 0 236.384 3.772 20 0 BHADRN Cc1cccc(C)c1COc1cccnc1C ZINC000541063652 388838469 /nfs/dbraw/zinc/83/84/69/388838469.db2.gz TXFKGPPNHQVFOV-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN CO[C@@H](C)CN(c1cc(C)ccc1C)C(C)C ZINC000541070566 324945558 /nfs/dbraw/zinc/94/55/58/324945558.db2.gz JYESWVJESSJGMK-AWEZNQCLSA-N 0 0 235.371 3.553 20 0 BHADRN CO[C@H](C)CN(c1cc(C)ccc1C)C(C)C ZINC000541070573 324945368 /nfs/dbraw/zinc/94/53/68/324945368.db2.gz JYESWVJESSJGMK-CQSZACIVSA-N 0 0 235.371 3.553 20 0 BHADRN CCOC(=O)[C@@H](CC(C)C)SC1CCCC1 ZINC000541077197 324945951 /nfs/dbraw/zinc/94/59/51/324945951.db2.gz KLVFJACCZXSPDP-GFCCVEGCSA-N 0 0 244.400 3.640 20 0 BHADRN CCOC(=O)[C@H](CC(C)C)SC1CCCC1 ZINC000541077204 388839657 /nfs/dbraw/zinc/83/96/57/388839657.db2.gz KLVFJACCZXSPDP-LBPRGKRZSA-N 0 0 244.400 3.640 20 0 BHADRN CCc1ccc(CCSC[C@@H](C)OC)cc1 ZINC000541077348 388839749 /nfs/dbraw/zinc/83/97/49/388839749.db2.gz NMCQUULIDSNKHZ-GFCCVEGCSA-N 0 0 238.396 3.560 20 0 BHADRN CCc1ccc(CCSC[C@H](C)OC)cc1 ZINC000541077360 388839396 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218.321 3.760 20 0 BHADRN COc1cccc(OCCCc2ccsc2)c1 ZINC000541160417 324948726 /nfs/dbraw/zinc/94/87/26/324948726.db2.gz WJBFBQSEVOOJKR-UHFFFAOYSA-N 0 0 248.347 3.768 20 0 BHADRN COc1ccc(OCCCc2ccsc2)cc1 ZINC000541161547 388843345 /nfs/dbraw/zinc/84/33/45/388843345.db2.gz POAASWQBJFCVMW-UHFFFAOYSA-N 0 0 248.347 3.768 20 0 BHADRN CN(CCCc1ccsc1)c1ccccc1 ZINC000541161852 324948737 /nfs/dbraw/zinc/94/87/37/324948737.db2.gz DBANNNRUELGQCU-UHFFFAOYSA-N 0 0 231.364 3.817 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)NCCC1CCCC1 ZINC000541173594 388843122 /nfs/dbraw/zinc/84/31/22/388843122.db2.gz IWJLKLSLVSEOIL-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)NCCC1CCCC1 ZINC000541173596 388842092 /nfs/dbraw/zinc/84/20/92/388842092.db2.gz IWJLKLSLVSEOIL-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CCCc1occc1-c1nc(C(C)(C)C)no1 ZINC000541208479 388844776 /nfs/dbraw/zinc/84/47/76/388844776.db2.gz QYMOYAGVJFEMFT-UHFFFAOYSA-N 0 0 234.299 3.580 20 0 BHADRN CC(C)C(C)(C)S(=O)(=O)CCCC(C)(C)C 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C[C@@H]1CCC[C@H](C(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000541339864 324956320 /nfs/dbraw/zinc/95/63/20/324956320.db2.gz URVFXBMGRZMCEW-ILXRZTDVSA-N 0 0 249.398 3.627 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000541339865 518179317 /nfs/dbraw/zinc/17/93/17/518179317.db2.gz URVFXBMGRZMCEW-KFWWJZLASA-N 0 0 249.398 3.627 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000541339942 324956346 /nfs/dbraw/zinc/95/63/46/324956346.db2.gz URVFXBMGRZMCEW-QLFBSQMISA-N 0 0 249.398 3.627 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000541339943 388849607 /nfs/dbraw/zinc/84/96/07/388849607.db2.gz URVFXBMGRZMCEW-RBSFLKMASA-N 0 0 249.398 3.627 20 0 BHADRN Cc1nc(N2CC[C@@H](C(C)(C)C)C2)sc1C ZINC000541347349 388849345 /nfs/dbraw/zinc/84/93/45/388849345.db2.gz WRVPXWGUJBGSFS-LLVKDONJSA-N 0 0 238.400 3.632 20 0 BHADRN Cc1nc(N2CC[C@H](C(C)(C)C)C2)sc1C ZINC000541347358 324956329 /nfs/dbraw/zinc/95/63/29/324956329.db2.gz WRVPXWGUJBGSFS-NSHDSACASA-N 0 0 238.400 3.632 20 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C[C@@H](C(=O)N1C[C@H](C)CC(C)(C)C1)C(C)(C)C ZINC000541513957 324962512 /nfs/dbraw/zinc/96/25/12/324962512.db2.gz PTYRMNZNKXSLPK-NEPJUHHUSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@H](C(=O)N1C[C@@H](C)CC(C)(C)C1)C(C)(C)C ZINC000541513958 324962659 /nfs/dbraw/zinc/96/26/59/324962659.db2.gz PTYRMNZNKXSLPK-NWDGAFQWSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@@H](C(=O)N1C[C@@H](C)CC(C)(C)C1)C(C)(C)C ZINC000541513959 324962506 /nfs/dbraw/zinc/96/25/06/324962506.db2.gz PTYRMNZNKXSLPK-RYUDHWBXSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@H](C(=O)N1C[C@H](C)CC(C)(C)C1)C(C)(C)C ZINC000541513960 324962513 /nfs/dbraw/zinc/96/25/13/324962513.db2.gz PTYRMNZNKXSLPK-VXGBXAGGSA-N 0 0 239.403 3.563 20 0 BHADRN CCCNc1ccccc1NC(=O)[C@H](C)CCC ZINC000541547203 324964200 /nfs/dbraw/zinc/96/42/00/324964200.db2.gz CRPWGXCCBLGFAU-GFCCVEGCSA-N 0 0 248.370 3.883 20 0 BHADRN CCCNc1ccccc1NC(=O)[C@@H](C)CCC ZINC000541547204 324963902 /nfs/dbraw/zinc/96/39/02/324963902.db2.gz CRPWGXCCBLGFAU-LBPRGKRZSA-N 0 0 248.370 3.883 20 0 BHADRN CCCNc1ccccc1NC(=O)CC(C)(C)C ZINC000541550735 388856401 /nfs/dbraw/zinc/85/64/01/388856401.db2.gz HTZPYVFTSBAARN-UHFFFAOYSA-N 0 0 248.370 3.883 20 0 BHADRN CCCNc1ccccc1NC(=O)C(CC)CC ZINC000541552710 388856983 /nfs/dbraw/zinc/85/69/83/388856983.db2.gz QCLNXFRVKFCPNW-UHFFFAOYSA-N 0 0 248.370 3.883 20 0 BHADRN FC1CN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000541554899 388857088 /nfs/dbraw/zinc/85/70/88/388857088.db2.gz ZGMWWKIEJSURDU-UHFFFAOYSA-N 0 0 241.309 3.507 20 0 BHADRN CCn1nc(C)c(NC[C@H]2CCCC[C@H]2C)c1C ZINC000541556367 324964198 /nfs/dbraw/zinc/96/41/98/324964198.db2.gz ZTDWKQAHDQCYGP-BXUZGUMPSA-N 0 0 249.402 3.758 20 0 BHADRN CCn1nc(C)c(NC[C@@H]2CCCC[C@@H]2C)c1C ZINC000541556368 388856522 /nfs/dbraw/zinc/85/65/22/388856522.db2.gz ZTDWKQAHDQCYGP-FZMZJTMJSA-N 0 0 249.402 3.758 20 0 BHADRN CCn1nc(C)c(NC[C@@H]2CCCC[C@H]2C)c1C ZINC000541556369 388856089 /nfs/dbraw/zinc/85/60/89/388856089.db2.gz ZTDWKQAHDQCYGP-RISCZKNCSA-N 0 0 249.402 3.758 20 0 BHADRN CCn1nc(C)c(NC[C@H]2CCCC[C@@H]2C)c1C ZINC000541556370 324964247 /nfs/dbraw/zinc/96/42/47/324964247.db2.gz ZTDWKQAHDQCYGP-SMDDNHRTSA-N 0 0 249.402 3.758 20 0 BHADRN Cc1nn(C)c(C)c1N[C@H](C)C1CCCCCC1 ZINC000541569392 388857631 /nfs/dbraw/zinc/85/76/31/388857631.db2.gz ALGRPNCMHQIHIU-LLVKDONJSA-N 0 0 249.402 3.808 20 0 BHADRN Cc1nn(C)c(C)c1N[C@@H](C)C1CCCCCC1 ZINC000541569394 388858880 /nfs/dbraw/zinc/85/88/80/388858880.db2.gz ALGRPNCMHQIHIU-NSHDSACASA-N 0 0 249.402 3.808 20 0 BHADRN CC(C)c1cnc(N2C[C@H](C)C[C@H]2C)s1 ZINC000541576913 324965967 /nfs/dbraw/zinc/96/59/67/324965967.db2.gz VZPIWNAVVOKUBP-NXEZZACHSA-N 0 0 224.373 3.501 20 0 BHADRN CC(C)c1cnc(N2C[C@@H](C)C[C@@H]2C)s1 ZINC000541576914 324966345 /nfs/dbraw/zinc/96/63/45/324966345.db2.gz VZPIWNAVVOKUBP-UWVGGRQHSA-N 0 0 224.373 3.501 20 0 BHADRN CC(C)c1cnc(N2C[C@@H](C)C[C@H]2C)s1 ZINC000541576915 324966282 /nfs/dbraw/zinc/96/62/82/324966282.db2.gz VZPIWNAVVOKUBP-VHSXEESVSA-N 0 0 224.373 3.501 20 0 BHADRN CC(C)c1cnc(N2C[C@H](C)C[C@@H]2C)s1 ZINC000541576916 324966335 /nfs/dbraw/zinc/96/63/35/324966335.db2.gz VZPIWNAVVOKUBP-ZJUUUORDSA-N 0 0 224.373 3.501 20 0 BHADRN CC(C)c1cnc(N(C)CCC2CC2)s1 ZINC000541578950 324966180 /nfs/dbraw/zinc/96/61/80/324966180.db2.gz YBWXUJZTLAVJHF-UHFFFAOYSA-N 0 0 224.373 3.503 20 0 BHADRN CC(C)c1cnc(N2CCCC[C@@H]2C)s1 ZINC000541579236 324966394 /nfs/dbraw/zinc/96/63/94/324966394.db2.gz URYAKSWNLCECDO-JTQLQIEISA-N 0 0 224.373 3.645 20 0 BHADRN CC(C)c1cnc(N2CCCC[C@H]2C)s1 ZINC000541579237 324966398 /nfs/dbraw/zinc/96/63/98/324966398.db2.gz URYAKSWNLCECDO-SNVBAGLBSA-N 0 0 224.373 3.645 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000541584042 388857795 /nfs/dbraw/zinc/85/77/95/388857795.db2.gz YSKJDUANBALNIG-AGIUHOORSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000541584043 324966114 /nfs/dbraw/zinc/96/61/14/324966114.db2.gz YSKJDUANBALNIG-JHJVBQTASA-N 0 0 239.403 3.563 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000541584044 324966040 /nfs/dbraw/zinc/96/60/40/324966040.db2.gz YSKJDUANBALNIG-RWMBFGLXSA-N 0 0 239.403 3.563 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000541584046 388858329 /nfs/dbraw/zinc/85/83/29/388858329.db2.gz YSKJDUANBALNIG-UPJWGTAASA-N 0 0 239.403 3.563 20 0 BHADRN Cc1cccnc1NC(=O)[C@H](C)CCC(C)(C)C ZINC000541584980 324967040 /nfs/dbraw/zinc/96/70/40/324967040.db2.gz HWQRZWNMBRAADP-GFCCVEGCSA-N 0 0 248.370 3.791 20 0 BHADRN Cc1cccnc1NC(=O)[C@@H](C)CCC(C)(C)C ZINC000541584981 324966691 /nfs/dbraw/zinc/96/66/91/324966691.db2.gz HWQRZWNMBRAADP-LBPRGKRZSA-N 0 0 248.370 3.791 20 0 BHADRN Cc1cccnc1NC[C@@H](C)Cc1ccccc1 ZINC000541588344 324966894 /nfs/dbraw/zinc/96/68/94/324966894.db2.gz DWGGAIGYSCDNOC-ZDUSSCGKSA-N 0 0 240.350 3.681 20 0 BHADRN Cc1cccc(N(C)CC[C@@H]2CCCCO2)c1C ZINC000541589996 324966634 /nfs/dbraw/zinc/96/66/34/324966634.db2.gz XKBMIQMENGRGRP-HNNXBMFYSA-N 0 0 247.382 3.699 20 0 BHADRN Cc1cccc(N(C)CC[C@H]2CCCCO2)c1C ZINC000541589999 388858373 /nfs/dbraw/zinc/85/83/73/388858373.db2.gz XKBMIQMENGRGRP-OAHLLOKOSA-N 0 0 247.382 3.699 20 0 BHADRN CC(C)CN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC000541604908 324968893 /nfs/dbraw/zinc/96/88/93/324968893.db2.gz WDAOIXBFVUUJTO-GFCCVEGCSA-N 0 0 227.392 3.563 20 0 BHADRN CC(C)CN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000541604909 324968975 /nfs/dbraw/zinc/96/89/75/324968975.db2.gz WDAOIXBFVUUJTO-LBPRGKRZSA-N 0 0 227.392 3.563 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1CC=CCC1 ZINC000541621345 388861935 /nfs/dbraw/zinc/86/19/35/388861935.db2.gz BMRUQBIHBDKLND-CHWSQXEVSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@H]1CC=CCC1 ZINC000541621346 324969773 /nfs/dbraw/zinc/96/97/73/324969773.db2.gz BMRUQBIHBDKLND-OLZOCXBDSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1CC=CCC1 ZINC000541621347 324969818 /nfs/dbraw/zinc/96/98/18/324969818.db2.gz BMRUQBIHBDKLND-QWHCGFSZSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N[C@H]1CC=CCC1 ZINC000541621348 388861750 /nfs/dbraw/zinc/86/17/50/388861750.db2.gz BMRUQBIHBDKLND-STQMWFEESA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@H](C)N(C)C(=O)[C@H](C)CCC(C)(C)C ZINC000541622062 324969519 /nfs/dbraw/zinc/96/95/19/324969519.db2.gz LEGSKEQIWOAVHF-NEPJUHHUSA-N 0 0 227.392 3.706 20 0 BHADRN CC[C@@H](C)N(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000541622064 324969481 /nfs/dbraw/zinc/96/94/81/324969481.db2.gz LEGSKEQIWOAVHF-NWDGAFQWSA-N 0 0 227.392 3.706 20 0 BHADRN CC[C@H](C)N(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000541622067 388861414 /nfs/dbraw/zinc/86/14/14/388861414.db2.gz LEGSKEQIWOAVHF-RYUDHWBXSA-N 0 0 227.392 3.706 20 0 BHADRN CC[C@@H](C)N(C)C(=O)[C@H](C)CCC(C)(C)C ZINC000541622069 388861599 /nfs/dbraw/zinc/86/15/99/388861599.db2.gz LEGSKEQIWOAVHF-VXGBXAGGSA-N 0 0 227.392 3.706 20 0 BHADRN CCC1(CNC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC000541622740 324969814 /nfs/dbraw/zinc/96/98/14/324969814.db2.gz UMIPVQLXZJTHLL-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN CCC1(CNC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC000541622741 388861852 /nfs/dbraw/zinc/86/18/52/388861852.db2.gz UMIPVQLXZJTHLL-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000541622835 388862043 /nfs/dbraw/zinc/86/20/43/388862043.db2.gz YMAZAYUDWKYCRB-JHJVBQTASA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000541622836 388861531 /nfs/dbraw/zinc/86/15/31/388861531.db2.gz YMAZAYUDWKYCRB-UPJWGTAASA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000541622837 324969657 /nfs/dbraw/zinc/96/96/57/324969657.db2.gz YMAZAYUDWKYCRB-XQQFMLRXSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CC[C@H](C)[C@H]1C ZINC000541622838 324969575 /nfs/dbraw/zinc/96/95/75/324969575.db2.gz YMAZAYUDWKYCRB-YNEHKIRRSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NCC1(C)CCC1 ZINC000541622969 324969897 /nfs/dbraw/zinc/96/98/97/324969897.db2.gz XNCFYLNYHNJHOY-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NCC1(C)CCC1 ZINC000541622970 324968325 /nfs/dbraw/zinc/96/83/25/324968325.db2.gz XNCFYLNYHNJHOY-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CCN(CC1CC1)C(=O)[C@H](C)CCC(C)(C)C ZINC000541624890 388861473 /nfs/dbraw/zinc/86/14/73/388861473.db2.gz VWPNADHACVOVKC-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN CCN(CC1CC1)C(=O)[C@@H](C)CCC(C)(C)C ZINC000541624891 388861920 /nfs/dbraw/zinc/86/19/20/388861920.db2.gz VWPNADHACVOVKC-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(=O)Nc1ccccc1COC(C)(C)CC ZINC000541627847 388861222 /nfs/dbraw/zinc/86/12/22/388861222.db2.gz CZPQVEMLUGNGPF-UHFFFAOYSA-N 0 0 249.354 3.740 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C)C1 ZINC000541631949 388861777 /nfs/dbraw/zinc/86/17/77/388861777.db2.gz RABGZCHDJVOSCX-BFHYXJOUSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C)C1 ZINC000541631950 324969766 /nfs/dbraw/zinc/96/97/66/324969766.db2.gz RABGZCHDJVOSCX-HZSPNIEDSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](C)C1 ZINC000541631951 388861424 /nfs/dbraw/zinc/86/14/24/388861424.db2.gz RABGZCHDJVOSCX-MELADBBJSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000541631952 388861065 /nfs/dbraw/zinc/86/10/65/388861065.db2.gz RABGZCHDJVOSCX-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)cc1 ZINC000541633893 388861172 /nfs/dbraw/zinc/86/11/72/388861172.db2.gz ZGXJBILLHBGRPF-GZBFAFLISA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000541633894 388861855 /nfs/dbraw/zinc/86/18/55/388861855.db2.gz ZGXJBILLHBGRPF-KCQAQPDRSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000541633895 324969573 /nfs/dbraw/zinc/96/95/73/324969573.db2.gz ZGXJBILLHBGRPF-UMVBOHGHSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000541633896 388861946 /nfs/dbraw/zinc/86/19/46/388861946.db2.gz ZGXJBILLHBGRPF-VNHYZAJKSA-N 0 0 245.366 3.550 20 0 BHADRN CCC(CC)CC(=O)NC[C@@H](C)c1ccccc1 ZINC000541634544 324969510 /nfs/dbraw/zinc/96/95/10/324969510.db2.gz ZFWNDYPGQFZNAJ-CYBMUJFWSA-N 0 0 247.382 3.733 20 0 BHADRN CCC(CC)CC(=O)NC[C@H](C)c1ccccc1 ZINC000541634545 388861698 /nfs/dbraw/zinc/86/16/98/388861698.db2.gz ZFWNDYPGQFZNAJ-ZDUSSCGKSA-N 0 0 247.382 3.733 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000541637800 388861052 /nfs/dbraw/zinc/86/10/52/388861052.db2.gz BYTJZOZFYSVHDD-GZBFAFLISA-N 0 0 245.366 3.550 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000541637801 388860999 /nfs/dbraw/zinc/86/09/99/388860999.db2.gz BYTJZOZFYSVHDD-KCQAQPDRSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000541637802 388860978 /nfs/dbraw/zinc/86/09/78/388860978.db2.gz BYTJZOZFYSVHDD-UMVBOHGHSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000541637803 388860974 /nfs/dbraw/zinc/86/09/74/388860974.db2.gz BYTJZOZFYSVHDD-VNHYZAJKSA-N 0 0 245.366 3.550 20 0 BHADRN CCN(CC(F)F)C(=O)[C@@H](C)CCC(C)(C)C ZINC000541649137 324971315 /nfs/dbraw/zinc/97/13/15/324971315.db2.gz YFYRCGMUTDOZCL-JTQLQIEISA-N 0 0 249.345 3.562 20 0 BHADRN CCN(CC(F)F)C(=O)[C@H](C)CCC(C)(C)C ZINC000541649138 388863088 /nfs/dbraw/zinc/86/30/88/388863088.db2.gz YFYRCGMUTDOZCL-SNVBAGLBSA-N 0 0 249.345 3.562 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000541657947 388863648 /nfs/dbraw/zinc/86/36/48/388863648.db2.gz BWKBJQZNZYQUPQ-FRRDWIJNSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000541657948 324971622 /nfs/dbraw/zinc/97/16/22/324971622.db2.gz BWKBJQZNZYQUPQ-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000541657949 324971631 /nfs/dbraw/zinc/97/16/31/324971631.db2.gz BWKBJQZNZYQUPQ-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000541657950 324971856 /nfs/dbraw/zinc/97/18/56/324971856.db2.gz BWKBJQZNZYQUPQ-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H](C(=O)N[C@H]1CC[C@@H](C)[C@H](C)C1)C(C)(C)C ZINC000541659156 324971617 /nfs/dbraw/zinc/97/16/17/324971617.db2.gz YESUHFDJRAUWEN-LPWJVIDDSA-N 0 0 239.403 3.610 20 0 BHADRN C[C@@H](C(=O)N[C@H]1CC[C@@H](C)[C@H](C)C1)C(C)(C)C ZINC000541659157 388863247 /nfs/dbraw/zinc/86/32/47/388863247.db2.gz YESUHFDJRAUWEN-NDBYEHHHSA-N 0 0 239.403 3.610 20 0 BHADRN C[C@@H](C(=O)N[C@H]1CC[C@@H](C)[C@@H](C)C1)C(C)(C)C ZINC000541659158 324971626 /nfs/dbraw/zinc/97/16/26/324971626.db2.gz YESUHFDJRAUWEN-VOAKCMCISA-N 0 0 239.403 3.610 20 0 BHADRN C[C@H](C(=O)N[C@H]1CC[C@@H](C)[C@@H](C)C1)C(C)(C)C ZINC000541659178 324971636 /nfs/dbraw/zinc/97/16/36/324971636.db2.gz YESUHFDJRAUWEN-XQHKEYJVSA-N 0 0 239.403 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000541660503 388862935 /nfs/dbraw/zinc/86/29/35/388862935.db2.gz NDLQBZCEOYRMEC-HTVCTNPSSA-N 0 0 239.403 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000541660504 324971613 /nfs/dbraw/zinc/97/16/13/324971613.db2.gz NDLQBZCEOYRMEC-MQLXINIDSA-N 0 0 239.403 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000541660505 388862859 /nfs/dbraw/zinc/86/28/59/388862859.db2.gz NDLQBZCEOYRMEC-PDWCTOEPSA-N 0 0 239.403 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000541660506 388863456 /nfs/dbraw/zinc/86/34/56/388863456.db2.gz NDLQBZCEOYRMEC-ZUWCUPBKSA-N 0 0 239.403 3.610 20 0 BHADRN C[C@@H]1CCCN(Cc2ccno2)c2ccccc21 ZINC000541698326 388864106 /nfs/dbraw/zinc/86/41/06/388864106.db2.gz VAAKZSOKUHKAKL-GFCCVEGCSA-N 0 0 242.322 3.579 20 0 BHADRN C[C@H]1CCCN(Cc2ccno2)c2ccccc21 ZINC000541698327 388864164 /nfs/dbraw/zinc/86/41/64/388864164.db2.gz VAAKZSOKUHKAKL-LBPRGKRZSA-N 0 0 242.322 3.579 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CCC(C)CC1 ZINC000541703344 388864324 /nfs/dbraw/zinc/86/43/24/388864324.db2.gz XLNFENQTXHWKJJ-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1CCC(C)CC1 ZINC000541703346 388864553 /nfs/dbraw/zinc/86/45/53/388864553.db2.gz XLNFENQTXHWKJJ-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1C=CCCC1 ZINC000541724330 324974742 /nfs/dbraw/zinc/97/47/42/324974742.db2.gz ZGYUBWLHXMMAPM-CHWSQXEVSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@H]1C=CCCC1 ZINC000541724331 388865870 /nfs/dbraw/zinc/86/58/70/388865870.db2.gz ZGYUBWLHXMMAPM-OLZOCXBDSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1C=CCCC1 ZINC000541724332 388865255 /nfs/dbraw/zinc/86/52/55/388865255.db2.gz ZGYUBWLHXMMAPM-QWHCGFSZSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N[C@H]1C=CCCC1 ZINC000541724333 324973509 /nfs/dbraw/zinc/97/35/09/324973509.db2.gz ZGYUBWLHXMMAPM-STQMWFEESA-N 0 0 237.387 3.674 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CCC(C)(C)C1 ZINC000541731105 388866345 /nfs/dbraw/zinc/86/63/45/388866345.db2.gz OTTOZSWJFXMICY-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1CCC(C)(C)C1 ZINC000541731106 388865962 /nfs/dbraw/zinc/86/59/62/388865962.db2.gz OTTOZSWJFXMICY-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NC[C@@H]1CC1(C)C ZINC000541731677 388866461 /nfs/dbraw/zinc/86/64/61/388866461.db2.gz NMOPPXNHMJAIIJ-NEPJUHHUSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NC[C@H]1CC1(C)C ZINC000541731678 324975886 /nfs/dbraw/zinc/97/58/86/324975886.db2.gz NMOPPXNHMJAIIJ-NWDGAFQWSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NC[C@@H]1CC1(C)C ZINC000541731679 324975555 /nfs/dbraw/zinc/97/55/55/324975555.db2.gz NMOPPXNHMJAIIJ-RYUDHWBXSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NC[C@H]1CC1(C)C ZINC000541731680 324975827 /nfs/dbraw/zinc/97/58/27/324975827.db2.gz NMOPPXNHMJAIIJ-VXGBXAGGSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@@H]1CCC[C@H](C[N@H+](C)Cc2ccccn2)C1 ZINC000541763838 388867387 /nfs/dbraw/zinc/86/73/87/388867387.db2.gz XPCIBOOHZXKZRG-CABCVRRESA-N 0 0 246.398 3.730 20 0 BHADRN CC[C@H]1CCC[C@H](C[N@H+](C)Cc2ccccn2)C1 ZINC000541763839 388867701 /nfs/dbraw/zinc/86/77/01/388867701.db2.gz XPCIBOOHZXKZRG-GJZGRUSLSA-N 0 0 246.398 3.730 20 0 BHADRN CC[C@@H]1CCC[C@@H](C[N@H+](C)Cc2ccccn2)C1 ZINC000541763840 388866785 /nfs/dbraw/zinc/86/67/85/388866785.db2.gz XPCIBOOHZXKZRG-HUUCEWRRSA-N 0 0 246.398 3.730 20 0 BHADRN CC[C@H]1CCC[C@@H](C[N@H+](C)Cc2ccccn2)C1 ZINC000541763841 388867709 /nfs/dbraw/zinc/86/77/09/388867709.db2.gz XPCIBOOHZXKZRG-LSDHHAIUSA-N 0 0 246.398 3.730 20 0 BHADRN Cc1ccc([C@@H](C)N[C@H](C)c2ccon2)cc1C ZINC000541771191 324979108 /nfs/dbraw/zinc/97/91/08/324979108.db2.gz FCPBLZDIMQXNHZ-CHWSQXEVSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1ccc([C@@H](C)N[C@@H](C)c2ccon2)cc1C ZINC000541771196 388867575 /nfs/dbraw/zinc/86/75/75/388867575.db2.gz FCPBLZDIMQXNHZ-OLZOCXBDSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1ccc([C@H](C)N[C@H](C)c2ccon2)cc1C ZINC000541771198 323146535 /nfs/dbraw/zinc/14/65/35/323146535.db2.gz FCPBLZDIMQXNHZ-QWHCGFSZSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1ccc([C@H](C)N[C@@H](C)c2ccon2)cc1C ZINC000541771201 323146498 /nfs/dbraw/zinc/14/64/98/323146498.db2.gz FCPBLZDIMQXNHZ-STQMWFEESA-N 0 0 244.338 3.703 20 0 BHADRN CC[C@@H](Nc1cccc(C)c1C)c1ccn(C)n1 ZINC000541771761 388867275 /nfs/dbraw/zinc/86/72/75/388867275.db2.gz NFUXROOZFRJJBE-CYBMUJFWSA-N 0 0 243.354 3.600 20 0 BHADRN CC[C@H](Nc1cccc(C)c1C)c1ccn(C)n1 ZINC000541771762 388866835 /nfs/dbraw/zinc/86/68/35/388866835.db2.gz NFUXROOZFRJJBE-ZDUSSCGKSA-N 0 0 243.354 3.600 20 0 BHADRN CC[C@@H](Nc1cccc(Cl)c1)c1ccn(C)n1 ZINC000541777961 388867942 /nfs/dbraw/zinc/86/79/42/388867942.db2.gz BKQXHGNKUPSMDT-GFCCVEGCSA-N 0 0 249.745 3.637 20 0 BHADRN CC[C@H](Nc1cccc(Cl)c1)c1ccn(C)n1 ZINC000541777962 324979677 /nfs/dbraw/zinc/97/96/77/324979677.db2.gz BKQXHGNKUPSMDT-LBPRGKRZSA-N 0 0 249.745 3.637 20 0 BHADRN CCC(CC)Sc1ccccc1OC ZINC000541781609 388868824 /nfs/dbraw/zinc/86/88/24/388868824.db2.gz KSTAFILPTBRXBL-UHFFFAOYSA-N 0 0 210.342 3.976 20 0 BHADRN c1ccc(SCC[C@H]2CCCCO2)cc1 ZINC000541784487 388868651 /nfs/dbraw/zinc/86/86/51/388868651.db2.gz OPHNWYQDYQRAIG-GFCCVEGCSA-N 0 0 222.353 3.738 20 0 BHADRN c1ccc(SCC[C@@H]2CCCCO2)cc1 ZINC000541784488 388868630 /nfs/dbraw/zinc/86/86/30/388868630.db2.gz OPHNWYQDYQRAIG-LBPRGKRZSA-N 0 0 222.353 3.738 20 0 BHADRN Fc1ccc(SCC[C@H]2CCCCO2)cc1 ZINC000541784710 388868426 /nfs/dbraw/zinc/86/84/26/388868426.db2.gz GQIZWKSULGWDPO-GFCCVEGCSA-N 0 0 240.343 3.877 20 0 BHADRN Fc1ccc(SCC[C@@H]2CCCCO2)cc1 ZINC000541784711 324979809 /nfs/dbraw/zinc/97/98/09/324979809.db2.gz GQIZWKSULGWDPO-LBPRGKRZSA-N 0 0 240.343 3.877 20 0 BHADRN Fc1ccccc1SCC[C@H]1CCCCO1 ZINC000541785402 388868296 /nfs/dbraw/zinc/86/82/96/388868296.db2.gz ORTXRJSYJSXLAJ-LLVKDONJSA-N 0 0 240.343 3.877 20 0 BHADRN Fc1ccccc1SCC[C@@H]1CCCCO1 ZINC000541785403 324979661 /nfs/dbraw/zinc/97/96/61/324979661.db2.gz ORTXRJSYJSXLAJ-NSHDSACASA-N 0 0 240.343 3.877 20 0 BHADRN CCc1cnc(NCc2c(C)cccc2C)s1 ZINC000541821380 388868544 /nfs/dbraw/zinc/86/85/44/388868544.db2.gz YLJRURDSPASZSA-UHFFFAOYSA-N 0 0 246.379 3.934 20 0 BHADRN CC(C)N(CC1CC1)C(=O)[C@H](C)CC(C)(C)C ZINC000541853215 324983770 /nfs/dbraw/zinc/98/37/70/324983770.db2.gz ZBWJUMLVUPATSC-GFCCVEGCSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)N(CC1CC1)C(=O)[C@@H](C)CC(C)(C)C ZINC000541853216 324983727 /nfs/dbraw/zinc/98/37/27/324983727.db2.gz ZBWJUMLVUPATSC-LBPRGKRZSA-N 0 0 239.403 3.706 20 0 BHADRN CCCOc1ccc(CN2CCC=C(F)C2)cc1 ZINC000541890385 388873139 /nfs/dbraw/zinc/87/31/39/388873139.db2.gz YQNYZMVUEOSWCT-UHFFFAOYSA-N 0 0 249.329 3.535 20 0 BHADRN CC1(C)CC[C@@H](C(=O)N[C@@H]2CC23CCCCC3)C1 ZINC000541939500 324999200 /nfs/dbraw/zinc/99/92/00/324999200.db2.gz NPSLSXDOSMTXMO-CHWSQXEVSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CC[C@@H](C(=O)N[C@H]2CC23CCCCC3)C1 ZINC000541939502 388878348 /nfs/dbraw/zinc/87/83/48/388878348.db2.gz NPSLSXDOSMTXMO-OLZOCXBDSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CC[C@H](C(=O)N[C@@H]2CC23CCCCC3)C1 ZINC000541939504 324999261 /nfs/dbraw/zinc/99/92/61/324999261.db2.gz NPSLSXDOSMTXMO-QWHCGFSZSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CC[C@H](C(=O)N[C@H]2CC23CCCCC3)C1 ZINC000541939506 388878462 /nfs/dbraw/zinc/87/84/62/388878462.db2.gz NPSLSXDOSMTXMO-STQMWFEESA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)(C)CCCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000541965213 325001536 /nfs/dbraw/zinc/00/15/36/325001536.db2.gz UZVHGOYOXGSGQA-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)(C)CCCNC(=O)[C@H]1CCC(C)(C)C1 ZINC000541965214 325001515 /nfs/dbraw/zinc/00/15/15/325001515.db2.gz UZVHGOYOXGSGQA-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CCc1cccc(Oc2cc(CC)nc(C)n2)c1 ZINC000541977012 325002008 /nfs/dbraw/zinc/00/20/08/325002008.db2.gz SBLARQJYCAKYJQ-UHFFFAOYSA-N 0 0 242.322 3.702 20 0 BHADRN CCc1cc(Oc2cccc(Cl)c2)nc(C)n1 ZINC000541977593 364056478 /nfs/dbraw/zinc/05/64/78/364056478.db2.gz LXADPUYKKFWROW-UHFFFAOYSA-N 0 0 248.713 3.793 20 0 BHADRN CO[C@H](C)CN(c1ccc(Cl)cc1)C(C)C ZINC000541999998 325003438 /nfs/dbraw/zinc/00/34/38/325003438.db2.gz HLIALRMFPYRGIT-LLVKDONJSA-N 0 0 241.762 3.590 20 0 BHADRN CO[C@@H](C)CN(c1ccc(Cl)cc1)C(C)C ZINC000541999999 325003216 /nfs/dbraw/zinc/00/32/16/325003216.db2.gz HLIALRMFPYRGIT-NSHDSACASA-N 0 0 241.762 3.590 20 0 BHADRN CO[C@H](C)CSCc1cc(C)cc(C)c1 ZINC000542002143 325003292 /nfs/dbraw/zinc/00/32/92/325003292.db2.gz KSNLKGMNDGCRTP-GFCCVEGCSA-N 0 0 224.369 3.572 20 0 BHADRN CO[C@@H](C)CSCc1cc(C)cc(C)c1 ZINC000542002144 325003255 /nfs/dbraw/zinc/00/32/55/325003255.db2.gz KSNLKGMNDGCRTP-LBPRGKRZSA-N 0 0 224.369 3.572 20 0 BHADRN CO[C@H](C)CSCCCSCC(C)C ZINC000542003853 325003211 /nfs/dbraw/zinc/00/32/11/325003211.db2.gz OZQLJOCLJYWDBL-LLVKDONJSA-N 0 0 236.446 3.534 20 0 BHADRN CO[C@@H](C)CSCCCSCC(C)C ZINC000542003854 325003444 /nfs/dbraw/zinc/00/34/44/325003444.db2.gz OZQLJOCLJYWDBL-NSHDSACASA-N 0 0 236.446 3.534 20 0 BHADRN CO[C@H](C)CSCc1c(C)cc(C)cc1C ZINC000542003897 325003129 /nfs/dbraw/zinc/00/31/29/325003129.db2.gz RFOQFPNIYKMDAR-CYBMUJFWSA-N 0 0 238.396 3.880 20 0 BHADRN CO[C@@H](C)CSCc1c(C)cc(C)cc1C ZINC000542003898 325003338 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238.396 3.696 20 0 BHADRN C[C@@H](Nc1cccc2c1OCO2)c1ccccc1 ZINC000542012927 325003805 /nfs/dbraw/zinc/00/38/05/325003805.db2.gz YFJYQBGNUMGBDV-LLVKDONJSA-N 0 0 241.290 3.588 20 0 BHADRN C[C@H](Nc1cccc2c1OCO2)c1ccccc1 ZINC000542012929 325004097 /nfs/dbraw/zinc/00/40/97/325004097.db2.gz YFJYQBGNUMGBDV-NSHDSACASA-N 0 0 241.290 3.588 20 0 BHADRN CCOCCOc1ccc(C(C)C)c(C)c1 ZINC000542049973 325006876 /nfs/dbraw/zinc/00/68/76/325006876.db2.gz FVTVYNNPNIOIMY-UHFFFAOYSA-N 0 0 222.328 3.534 20 0 BHADRN Cc1cc(OCCOC(C)C)cc(C)c1Cl ZINC000542050314 325006491 /nfs/dbraw/zinc/00/64/91/325006491.db2.gz JAAGFGSMCASIHK-UHFFFAOYSA-N 0 0 242.746 3.761 20 0 BHADRN CC1=C(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)CCC1 ZINC000542061222 325006861 /nfs/dbraw/zinc/00/68/61/325006861.db2.gz UVSSGGLBXYSHLR-GUTXKFCHSA-N 0 0 247.382 3.524 20 0 BHADRN CC1=C(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)CCC1 ZINC000542061226 325007073 /nfs/dbraw/zinc/00/70/73/325007073.db2.gz UVSSGGLBXYSHLR-GZBFAFLISA-N 0 0 247.382 3.524 20 0 BHADRN CC1=C(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)CCC1 ZINC000542061228 325006820 /nfs/dbraw/zinc/00/68/20/325006820.db2.gz UVSSGGLBXYSHLR-KCQAQPDRSA-N 0 0 247.382 3.524 20 0 BHADRN CC1=C(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)CCC1 ZINC000542061230 325006707 /nfs/dbraw/zinc/00/67/07/325006707.db2.gz UVSSGGLBXYSHLR-YDHLFZDLSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@H](Nc1cccc2c1OCO2)c1cccs1 ZINC000542065061 325007050 /nfs/dbraw/zinc/00/70/50/325007050.db2.gz GRCBAUQSQXCKDL-SECBINFHSA-N 0 0 247.319 3.650 20 0 BHADRN C[C@H](Nc1cccc2c1OCO2)c1cccs1 ZINC000542065066 325006692 /nfs/dbraw/zinc/00/66/92/325006692.db2.gz GRCBAUQSQXCKDL-VIFPVBQESA-N 0 0 247.319 3.650 20 0 BHADRN Fc1ccc(OCCCc2ccsc2)cc1 ZINC000542088588 325007801 /nfs/dbraw/zinc/00/78/01/325007801.db2.gz OGQDKMFZDTUMIT-UHFFFAOYSA-N 0 0 236.311 3.899 20 0 BHADRN CCCN(CCCc1ccsc1)CC(F)F ZINC000542099035 325008430 /nfs/dbraw/zinc/00/84/30/325008430.db2.gz VFEHDGHZEWIKIR-UHFFFAOYSA-N 0 0 247.354 3.658 20 0 BHADRN COc1ccccc1NCCCc1ccsc1 ZINC000542099853 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RGOFIFRSZCCAEK-AAEUAGOBSA-N 0 0 222.353 3.655 20 0 BHADRN CO[C@@H]1CCC[C@H]1Sc1ccccc1C ZINC000542339442 325021539 /nfs/dbraw/zinc/02/15/39/325021539.db2.gz RGOFIFRSZCCAEK-DGCLKSJQSA-N 0 0 222.353 3.655 20 0 BHADRN CO[C@H]1CCC[C@H]1Sc1ccccc1C ZINC000542339443 325021958 /nfs/dbraw/zinc/02/19/58/325021958.db2.gz RGOFIFRSZCCAEK-WCQYABFASA-N 0 0 222.353 3.655 20 0 BHADRN CO[C@@H]1CCC[C@@H]1Sc1ccccc1C ZINC000542339444 325021914 /nfs/dbraw/zinc/02/19/14/325021914.db2.gz RGOFIFRSZCCAEK-YPMHNXCESA-N 0 0 222.353 3.655 20 0 BHADRN Fc1ccccc1SCCCc1ccncc1 ZINC000542339661 325021608 /nfs/dbraw/zinc/02/16/08/325021608.db2.gz FOERAQJSIVYCMX-UHFFFAOYSA-N 0 0 247.338 3.946 20 0 BHADRN CC(C)(C)CCCNC(=O)C12CCC(CC1)C2 ZINC000542359772 325022343 /nfs/dbraw/zinc/02/23/43/325022343.db2.gz GLCMTIMBKBACHH-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)Nc1ccccn1 ZINC000542401509 325024628 /nfs/dbraw/zinc/02/46/28/325024628.db2.gz DAGQIWGNOVMHDU-GFCCVEGCSA-N 0 0 249.358 3.562 20 0 BHADRN CCCC[C@H](CCC)NC(=O)Nc1ccccn1 ZINC000542401510 325024900 /nfs/dbraw/zinc/02/49/00/325024900.db2.gz DAGQIWGNOVMHDU-LBPRGKRZSA-N 0 0 249.358 3.562 20 0 BHADRN CCC[C@@H](C)CC(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000542439137 325026960 /nfs/dbraw/zinc/02/69/60/325026960.db2.gz LMHDMXADWPYRPN-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H](C)CC(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000542439138 325026689 /nfs/dbraw/zinc/02/66/89/325026689.db2.gz LMHDMXADWPYRPN-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](C)CC(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000542439140 325026801 /nfs/dbraw/zinc/02/68/01/325026801.db2.gz LMHDMXADWPYRPN-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](C)CC(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000542439142 325026645 /nfs/dbraw/zinc/02/66/45/325026645.db2.gz LMHDMXADWPYRPN-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)CC(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000542440168 325027092 /nfs/dbraw/zinc/02/70/92/325027092.db2.gz KPWRUTOIOYODIB-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)CC(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000542440169 325027019 /nfs/dbraw/zinc/02/70/19/325027019.db2.gz KPWRUTOIOYODIB-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H]1CN(C(=O)CC2=CCCCC2)CC(C)(C)C1 ZINC000542441920 325026718 /nfs/dbraw/zinc/02/67/18/325026718.db2.gz LXSGIXJEKZWELB-CYBMUJFWSA-N 0 0 249.398 3.772 20 0 BHADRN C[C@@H]1CN(C(=O)CC2=CCCCC2)CC(C)(C)C1 ZINC000542441921 325027025 /nfs/dbraw/zinc/02/70/25/325027025.db2.gz LXSGIXJEKZWELB-ZDUSSCGKSA-N 0 0 249.398 3.772 20 0 BHADRN c1nc(N2CCCCC2)sc1-c1ccccc1 ZINC000542466181 325028818 /nfs/dbraw/zinc/02/88/18/325028818.db2.gz IBEGBHZCPIALAH-UHFFFAOYSA-N 0 0 244.363 3.800 20 0 BHADRN FC1CN(Cc2cccc(-c3ccccc3)c2)C1 ZINC000542482951 325030636 /nfs/dbraw/zinc/03/06/36/325030636.db2.gz OMFZAXYCKZWLMN-UHFFFAOYSA-N 0 0 241.309 3.507 20 0 BHADRN FC1CN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000542484728 325030150 /nfs/dbraw/zinc/03/01/50/325030150.db2.gz RKKVRSASLRDJOB-UHFFFAOYSA-N 0 0 247.338 3.569 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@H]2CCCO2)cc1CC ZINC000542499422 323266692 /nfs/dbraw/zinc/26/66/92/323266692.db2.gz PVNLNURIKYPTTL-BLLLJJGKSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@@H]2CCCO2)cc1CC ZINC000542499428 323266496 /nfs/dbraw/zinc/26/64/96/323266496.db2.gz PVNLNURIKYPTTL-LRDDRELGSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1ccc(N[C@H](C)[C@H]2CCCO2)cc1CC ZINC000542499715 323266507 /nfs/dbraw/zinc/26/65/07/323266507.db2.gz PVNLNURIKYPTTL-MLGOLLRUSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1ccc(N[C@H](C)[C@@H]2CCCO2)cc1CC ZINC000542499720 323267004 /nfs/dbraw/zinc/26/70/04/323267004.db2.gz PVNLNURIKYPTTL-WBMJQRKESA-N 0 0 247.382 3.791 20 0 BHADRN Cc1c(N[C@@H]2CCC(C)(C)C2)cnn1CC(C)C ZINC000542500237 325031176 /nfs/dbraw/zinc/03/11/76/325031176.db2.gz YLORWGVRNQEUHJ-CYBMUJFWSA-N 0 0 249.402 3.838 20 0 BHADRN Cc1c(N[C@H]2CCC(C)(C)C2)cnn1CC(C)C ZINC000542500245 325031309 /nfs/dbraw/zinc/03/13/09/325031309.db2.gz YLORWGVRNQEUHJ-ZDUSSCGKSA-N 0 0 249.402 3.838 20 0 BHADRN CCc1ccc(CC)c(N[C@@H](C)[C@H]2CCCO2)c1 ZINC000542500341 325031395 /nfs/dbraw/zinc/03/13/95/325031395.db2.gz UGGCXOVGJCTYDB-BLLLJJGKSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1ccc(CC)c(N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000542500342 325030926 /nfs/dbraw/zinc/03/09/26/325030926.db2.gz UGGCXOVGJCTYDB-LRDDRELGSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1ccc(CC)c(N[C@H](C)[C@H]2CCCO2)c1 ZINC000542500343 325030942 /nfs/dbraw/zinc/03/09/42/325030942.db2.gz UGGCXOVGJCTYDB-MLGOLLRUSA-N 0 0 247.382 3.791 20 0 BHADRN CCc1ccc(CC)c(N[C@H](C)[C@@H]2CCCO2)c1 ZINC000542500344 325030987 /nfs/dbraw/zinc/03/09/87/325030987.db2.gz UGGCXOVGJCTYDB-WBMJQRKESA-N 0 0 247.382 3.791 20 0 BHADRN CC(C)c1cnc(N2CCC(C)(C)C2)s1 ZINC000542505985 325032130 /nfs/dbraw/zinc/03/21/30/325032130.db2.gz IPSQLJCCPJOTFC-UHFFFAOYSA-N 0 0 224.373 3.503 20 0 BHADRN CC(C)c1cnc(N2CC[C@@H](C)[C@H](C)C2)s1 ZINC000542506985 325031980 /nfs/dbraw/zinc/03/19/80/325031980.db2.gz YGFKWWRBXKKVQN-GHMZBOCLSA-N 0 0 238.400 3.749 20 0 BHADRN CC(C)c1cnc(N2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000542506988 325031949 /nfs/dbraw/zinc/03/19/49/325031949.db2.gz YGFKWWRBXKKVQN-MNOVXSKESA-N 0 0 238.400 3.749 20 0 BHADRN CC(C)c1cnc(N2CC[C@H](C)[C@@H](C)C2)s1 ZINC000542506990 325031675 /nfs/dbraw/zinc/03/16/75/325031675.db2.gz YGFKWWRBXKKVQN-QWRGUYRKSA-N 0 0 238.400 3.749 20 0 BHADRN CC(C)c1cnc(N2CC[C@H](C)[C@H](C)C2)s1 ZINC000542506991 325031793 /nfs/dbraw/zinc/03/17/93/325031793.db2.gz YGFKWWRBXKKVQN-WDEREUQCSA-N 0 0 238.400 3.749 20 0 BHADRN CC(C)CCNC(=O)[C@H](C)CCC(C)(C)C ZINC000542511224 325032564 /nfs/dbraw/zinc/03/25/64/325032564.db2.gz ORMLZYAPXGKZRV-GFCCVEGCSA-N 0 0 227.392 3.611 20 0 BHADRN CC(C)CCNC(=O)[C@@H](C)CCC(C)(C)C ZINC000542511227 325032712 /nfs/dbraw/zinc/03/27/12/325032712.db2.gz ORMLZYAPXGKZRV-LBPRGKRZSA-N 0 0 227.392 3.611 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NC1CCCC1 ZINC000542512860 325032728 /nfs/dbraw/zinc/03/27/28/325032728.db2.gz LRCLCZILDZOZMD-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NC1CCCC1 ZINC000542512861 325032679 /nfs/dbraw/zinc/03/26/79/325032679.db2.gz LRCLCZILDZOZMD-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCC(CC)NC(=O)[C@H](C)CCC(C)(C)C ZINC000542513054 325032292 /nfs/dbraw/zinc/03/22/92/325032292.db2.gz DTKMVMUGFONTBS-LLVKDONJSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(CC)NC(=O)[C@@H](C)CCC(C)(C)C ZINC000542513055 325032660 /nfs/dbraw/zinc/03/26/60/325032660.db2.gz DTKMVMUGFONTBS-NSHDSACASA-N 0 0 227.392 3.754 20 0 BHADRN Cc1ccnc(NC(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000542513626 325032730 /nfs/dbraw/zinc/03/27/30/325032730.db2.gz JESUIDREXAYENL-GFCCVEGCSA-N 0 0 248.370 3.791 20 0 BHADRN Cc1ccnc(NC(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000542513627 325032336 /nfs/dbraw/zinc/03/23/36/325032336.db2.gz JESUIDREXAYENL-LBPRGKRZSA-N 0 0 248.370 3.791 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CCCC[C@H]1C ZINC000542513741 325032664 /nfs/dbraw/zinc/03/26/64/325032664.db2.gz QFFXNAZUZAKZRK-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CCCC[C@@H]1C ZINC000542513742 325032547 /nfs/dbraw/zinc/03/25/47/325032547.db2.gz QFFXNAZUZAKZRK-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1CCCC[C@H]1C ZINC000542513743 325032740 /nfs/dbraw/zinc/03/27/40/325032740.db2.gz QFFXNAZUZAKZRK-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1CCCC[C@@H]1C ZINC000542513744 325032705 /nfs/dbraw/zinc/03/27/05/325032705.db2.gz QFFXNAZUZAKZRK-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N(C)[C@@H](C)C1CC1 ZINC000542514614 325032251 /nfs/dbraw/zinc/03/22/51/325032251.db2.gz KTMAREAMLGGDFY-NEPJUHHUSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](C1CC1)N(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000542514615 325032501 /nfs/dbraw/zinc/03/25/01/325032501.db2.gz KTMAREAMLGGDFY-NWDGAFQWSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N(C)[C@@H](C)C1CC1 ZINC000542514616 325032707 /nfs/dbraw/zinc/03/27/07/325032707.db2.gz KTMAREAMLGGDFY-RYUDHWBXSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N(C)[C@H](C)C1CC1 ZINC000542514617 325032086 /nfs/dbraw/zinc/03/20/86/325032086.db2.gz KTMAREAMLGGDFY-VXGBXAGGSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1C2CCC1CC2 ZINC000542514660 325032540 /nfs/dbraw/zinc/03/25/40/325032540.db2.gz LVGVUEFSHZZKIB-HIFPTAJRSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1C2CCC1CC2 ZINC000542514661 325032757 /nfs/dbraw/zinc/03/27/57/325032757.db2.gz LVGVUEFSHZZKIB-PNESKVBLSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)[C@@H](C)N(C)C(=O)[C@H](C)CCC(C)(C)C ZINC000542515797 325032719 /nfs/dbraw/zinc/03/27/19/325032719.db2.gz KRXXICOQJMPMFB-CHWSQXEVSA-N 0 0 241.419 3.952 20 0 BHADRN CC(C)[C@H](C)N(C)C(=O)[C@H](C)CCC(C)(C)C ZINC000542515798 325032738 /nfs/dbraw/zinc/03/27/38/325032738.db2.gz KRXXICOQJMPMFB-OLZOCXBDSA-N 0 0 241.419 3.952 20 0 BHADRN CC(C)[C@@H](C)N(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000542515799 325032777 /nfs/dbraw/zinc/03/27/77/325032777.db2.gz KRXXICOQJMPMFB-QWHCGFSZSA-N 0 0 241.419 3.952 20 0 BHADRN CC(C)[C@H](C)N(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000542515800 325032379 /nfs/dbraw/zinc/03/23/79/325032379.db2.gz KRXXICOQJMPMFB-STQMWFEESA-N 0 0 241.419 3.952 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CCCCCC1 ZINC000542516165 325031809 /nfs/dbraw/zinc/03/18/09/325031809.db2.gz YQWDLVOGFODDMK-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1CCCCCC1 ZINC000542516166 325031628 /nfs/dbraw/zinc/03/16/28/325031628.db2.gz YQWDLVOGFODDMK-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)c1cnc(N2CCC[C@@H]2C(C)C)s1 ZINC000542521912 325033539 /nfs/dbraw/zinc/03/35/39/325033539.db2.gz LFYQGQJVWYSCQY-LLVKDONJSA-N 0 0 238.400 3.891 20 0 BHADRN CC(C)c1cnc(N2CCC[C@H]2C(C)C)s1 ZINC000542521914 325033459 /nfs/dbraw/zinc/03/34/59/325033459.db2.gz LFYQGQJVWYSCQY-NSHDSACASA-N 0 0 238.400 3.891 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000542527775 325034151 /nfs/dbraw/zinc/03/41/51/325034151.db2.gz VGPPIFLHQINIKI-AGIUHOORSA-N 0 0 239.403 3.848 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1[C@H](C)CC[C@H]1C ZINC000542527777 325034014 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325079499 /nfs/dbraw/zinc/07/94/99/325079499.db2.gz OYEONDSYJARKPR-ZYHUDNBSSA-N 0 0 242.771 4.000 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000543366350 325084485 /nfs/dbraw/zinc/08/44/85/325084485.db2.gz LXGWBLYFEFLROQ-AGIUHOORSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000543366354 325084420 /nfs/dbraw/zinc/08/44/20/325084420.db2.gz LXGWBLYFEFLROQ-AVGNSLFASA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000543366355 325084757 /nfs/dbraw/zinc/08/47/57/325084757.db2.gz LXGWBLYFEFLROQ-FRRDWIJNSA-N 0 0 239.403 3.563 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000543366356 325084726 /nfs/dbraw/zinc/08/47/26/325084726.db2.gz LXGWBLYFEFLROQ-RWMBFGLXSA-N 0 0 239.403 3.563 20 0 BHADRN CCCNc1ccccc1NC(=O)CCC(C)C ZINC000543409765 325086665 /nfs/dbraw/zinc/08/66/65/325086665.db2.gz YTTWLYHIEYVZEI-UHFFFAOYSA-N 0 0 248.370 3.883 20 0 BHADRN C[C@@H]1CCN(c2ncc(-c3ccccc3)s2)C1 ZINC000543413553 325087181 /nfs/dbraw/zinc/08/71/81/325087181.db2.gz STKSEFUUYUKLLZ-LLVKDONJSA-N 0 0 244.363 3.656 20 0 BHADRN C[C@H]1CCN(c2ncc(-c3ccccc3)s2)C1 ZINC000543413554 325087643 /nfs/dbraw/zinc/08/76/43/325087643.db2.gz STKSEFUUYUKLLZ-NSHDSACASA-N 0 0 244.363 3.656 20 0 BHADRN Cc1ccnn1-c1ccccc1N[C@H](C)C(C)C ZINC000543417595 325087465 /nfs/dbraw/zinc/08/74/65/325087465.db2.gz RQEPFXMGXUJDCV-CYBMUJFWSA-N 0 0 243.354 3.637 20 0 BHADRN Cc1ccnn1-c1ccccc1N[C@@H](C)C(C)C ZINC000543417596 325087448 /nfs/dbraw/zinc/08/74/48/325087448.db2.gz RQEPFXMGXUJDCV-ZDUSSCGKSA-N 0 0 243.354 3.637 20 0 BHADRN C[C@H](Nc1csc2ccccc12)[C@@H]1CCCO1 ZINC000543429330 325087890 /nfs/dbraw/zinc/08/78/90/325087890.db2.gz QLBHSSULVFIYIR-GWCFXTLKSA-N 0 0 247.363 3.881 20 0 BHADRN C[C@H](Nc1csc2ccccc12)[C@H]1CCCO1 ZINC000543429331 325088121 /nfs/dbraw/zinc/08/81/21/325088121.db2.gz QLBHSSULVFIYIR-GXFFZTMASA-N 0 0 247.363 3.881 20 0 BHADRN C[C@@H](Nc1csc2ccccc12)[C@@H]1CCCO1 ZINC000543429332 325088129 /nfs/dbraw/zinc/08/81/29/325088129.db2.gz QLBHSSULVFIYIR-MFKMUULPSA-N 0 0 247.363 3.881 20 0 BHADRN C[C@@H](Nc1csc2ccccc12)[C@H]1CCCO1 ZINC000543429333 325087832 /nfs/dbraw/zinc/08/78/32/325087832.db2.gz QLBHSSULVFIYIR-ZWNOBZJWSA-N 0 0 247.363 3.881 20 0 BHADRN CCn1cc(N[C@H](C)C2CCCCCC2)cn1 ZINC000543429420 325088361 /nfs/dbraw/zinc/08/83/61/325088361.db2.gz SIHGVHWMVGTVEA-GFCCVEGCSA-N 0 0 235.375 3.674 20 0 BHADRN CCn1cc(N[C@@H](C)C2CCCCCC2)cn1 ZINC000543429423 325088078 /nfs/dbraw/zinc/08/80/78/325088078.db2.gz SIHGVHWMVGTVEA-LBPRGKRZSA-N 0 0 235.375 3.674 20 0 BHADRN CC[C@H]1CCN(c2ncc(C(C)C)s2)C1 ZINC000543435339 325088115 /nfs/dbraw/zinc/08/81/15/325088115.db2.gz BEXSAVBDCDGBKN-JTQLQIEISA-N 0 0 224.373 3.503 20 0 BHADRN CC[C@@H]1CCN(c2ncc(C(C)C)s2)C1 ZINC000543435340 325088125 /nfs/dbraw/zinc/08/81/25/325088125.db2.gz BEXSAVBDCDGBKN-SNVBAGLBSA-N 0 0 224.373 3.503 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NCc1ccccc1 ZINC000543443186 325088665 /nfs/dbraw/zinc/08/86/65/325088665.db2.gz TVKKKJNZGWZSNQ-CYBMUJFWSA-N 0 0 247.382 3.765 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NCc1ccccc1 ZINC000543443187 325089002 /nfs/dbraw/zinc/08/90/02/325089002.db2.gz TVKKKJNZGWZSNQ-ZDUSSCGKSA-N 0 0 247.382 3.765 20 0 BHADRN CC(C)c1cnc(N2CCC(C)(C)CC2)s1 ZINC000543451338 325089730 /nfs/dbraw/zinc/08/97/30/325089730.db2.gz ZWCKFDCPSXYMDF-UHFFFAOYSA-N 0 0 238.400 3.893 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NC1(C2CC2)CC1 ZINC000543456825 325090396 /nfs/dbraw/zinc/09/03/96/325090396.db2.gz CNXBRAOZDZUCDU-LLVKDONJSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NC1(C2CC2)CC1 ZINC000543456826 325090232 /nfs/dbraw/zinc/09/02/32/325090232.db2.gz CNXBRAOZDZUCDU-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN CCN(CC(C)C)C(=O)[C@H](C)CCC(C)(C)C ZINC000543465063 325090896 /nfs/dbraw/zinc/09/08/96/325090896.db2.gz WAUZGJHKZABWFP-CYBMUJFWSA-N 0 0 241.419 3.953 20 0 BHADRN CCN(CC(C)C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000543465065 325091117 /nfs/dbraw/zinc/09/11/17/325091117.db2.gz WAUZGJHKZABWFP-ZDUSSCGKSA-N 0 0 241.419 3.953 20 0 BHADRN CC(C)N(C(=O)[C@H](C)CCC(C)(C)C)C1CC1 ZINC000543469730 325090893 /nfs/dbraw/zinc/09/08/93/325090893.db2.gz BDCFPMBZVPKOKI-GFCCVEGCSA-N 0 0 239.403 3.848 20 0 BHADRN CC(C)N(C(=O)[C@@H](C)CCC(C)(C)C)C1CC1 ZINC000543469732 325090874 /nfs/dbraw/zinc/09/08/74/325090874.db2.gz BDCFPMBZVPKOKI-LBPRGKRZSA-N 0 0 239.403 3.848 20 0 BHADRN CCN(C(=O)[C@H](C)CCC(C)(C)C)C(C)C ZINC000543471549 325090855 /nfs/dbraw/zinc/09/08/55/325090855.db2.gz YJVVJCICAUWAGX-GFCCVEGCSA-N 0 0 227.392 3.706 20 0 BHADRN CCN(C(=O)[C@@H](C)CCC(C)(C)C)C(C)C ZINC000543471550 325091124 /nfs/dbraw/zinc/09/11/24/325091124.db2.gz YJVVJCICAUWAGX-LBPRGKRZSA-N 0 0 227.392 3.706 20 0 BHADRN CCCN(CC)C(=O)[C@H](C)CCC(C)(C)C ZINC000543475511 325091070 /nfs/dbraw/zinc/09/10/70/325091070.db2.gz XKULBACYDGHTHQ-GFCCVEGCSA-N 0 0 227.392 3.707 20 0 BHADRN CCCN(CC)C(=O)[C@@H](C)CCC(C)(C)C ZINC000543475512 325090962 /nfs/dbraw/zinc/09/09/62/325090962.db2.gz XKULBACYDGHTHQ-LBPRGKRZSA-N 0 0 227.392 3.707 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NC1(C)CCCC1 ZINC000543481264 325090926 /nfs/dbraw/zinc/09/09/26/325090926.db2.gz JAAWGYCGDOZUSY-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NC1(C)CCCC1 ZINC000543481266 325090846 /nfs/dbraw/zinc/09/08/46/325090846.db2.gz JAAWGYCGDOZUSY-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC000543481704 325091111 /nfs/dbraw/zinc/09/11/11/325091111.db2.gz ULTGPXSIMOQMSF-CHWSQXEVSA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000543481705 325090884 /nfs/dbraw/zinc/09/08/84/325090884.db2.gz ULTGPXSIMOQMSF-OLZOCXBDSA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@H](C)CN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC000543481706 325090832 /nfs/dbraw/zinc/09/08/32/325090832.db2.gz ULTGPXSIMOQMSF-QWHCGFSZSA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@H](C)CN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000543481708 325090826 /nfs/dbraw/zinc/09/08/26/325090826.db2.gz ULTGPXSIMOQMSF-STQMWFEESA-N 0 0 241.419 3.953 20 0 BHADRN CCC[C@@H]1CCCCN1c1nc2ccccc2o1 ZINC000543483262 325091101 /nfs/dbraw/zinc/09/11/01/325091101.db2.gz JJXOUORPDHQGKD-GFCCVEGCSA-N 0 0 244.338 3.987 20 0 BHADRN CCC[C@H]1CCCCN1c1nc2ccccc2o1 ZINC000543483263 325090983 /nfs/dbraw/zinc/09/09/83/325090983.db2.gz JJXOUORPDHQGKD-LBPRGKRZSA-N 0 0 244.338 3.987 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CCC(C)(C)C)C[C@@H]1C ZINC000543491653 325091563 /nfs/dbraw/zinc/09/15/63/325091563.db2.gz AHTHLJMPKZYLDA-AGIUHOORSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CCC(C)(C)C)C[C@@H]1C ZINC000543491661 325091469 /nfs/dbraw/zinc/09/14/69/325091469.db2.gz AHTHLJMPKZYLDA-FRRDWIJNSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CCC(C)(C)C)C[C@H]1C ZINC000543491663 325091443 /nfs/dbraw/zinc/09/14/43/325091443.db2.gz AHTHLJMPKZYLDA-JHJVBQTASA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CCC(C)(C)C)C[C@H]1C ZINC000543491666 325091734 /nfs/dbraw/zinc/09/17/34/325091734.db2.gz AHTHLJMPKZYLDA-UPJWGTAASA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CNC(=O)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000543496319 325091642 /nfs/dbraw/zinc/09/16/42/325091642.db2.gz QYJSNDWHVNKIFL-CHWSQXEVSA-N 0 0 247.382 3.589 20 0 BHADRN C[C@@H](C(=O)NC[C@@H](C)c1ccccc1)C(C)(C)C ZINC000543496323 325091503 /nfs/dbraw/zinc/09/15/03/325091503.db2.gz QYJSNDWHVNKIFL-OLZOCXBDSA-N 0 0 247.382 3.589 20 0 BHADRN C[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000543496325 325091396 /nfs/dbraw/zinc/09/13/96/325091396.db2.gz QYJSNDWHVNKIFL-QWHCGFSZSA-N 0 0 247.382 3.589 20 0 BHADRN C[C@@H](CNC(=O)[C@H](C)C(C)(C)C)c1ccccc1 ZINC000543496328 325091529 /nfs/dbraw/zinc/09/15/29/325091529.db2.gz QYJSNDWHVNKIFL-STQMWFEESA-N 0 0 247.382 3.589 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000543497018 325091580 /nfs/dbraw/zinc/09/15/80/325091580.db2.gz ORWSLSWNHHIFLR-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000543497021 325091732 /nfs/dbraw/zinc/09/17/32/325091732.db2.gz ORWSLSWNHHIFLR-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000543497024 325091638 /nfs/dbraw/zinc/09/16/38/325091638.db2.gz ORWSLSWNHHIFLR-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000543497027 325091487 /nfs/dbraw/zinc/09/14/87/325091487.db2.gz ORWSLSWNHHIFLR-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000543516421 325092334 /nfs/dbraw/zinc/09/23/34/325092334.db2.gz DRVPMASZHKESQT-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000543516423 325092250 /nfs/dbraw/zinc/09/22/50/325092250.db2.gz DRVPMASZHKESQT-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000543516427 325092229 /nfs/dbraw/zinc/09/22/29/325092229.db2.gz DRVPMASZHKESQT-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000543516428 325092095 /nfs/dbraw/zinc/09/20/95/325092095.db2.gz DRVPMASZHKESQT-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C1=C(C)CCC1 ZINC000543516636 325092273 /nfs/dbraw/zinc/09/22/73/325092273.db2.gz JSRCECIBFMCJKN-CYBMUJFWSA-N 0 0 235.371 3.668 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C1=C(C)CCC1 ZINC000543516637 325092123 /nfs/dbraw/zinc/09/21/23/325092123.db2.gz JSRCECIBFMCJKN-ZDUSSCGKSA-N 0 0 235.371 3.668 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)c1cc(C)c(C)o1 ZINC000543517431 325092167 /nfs/dbraw/zinc/09/21/67/325092167.db2.gz CKPLCFGAGFZOLT-CYBMUJFWSA-N 0 0 249.354 3.691 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)c1cc(C)c(C)o1 ZINC000543517439 325092391 /nfs/dbraw/zinc/09/23/91/325092391.db2.gz CKPLCFGAGFZOLT-ZDUSSCGKSA-N 0 0 249.354 3.691 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)Nc1ccccc1O ZINC000543550328 325092988 /nfs/dbraw/zinc/09/29/88/325092988.db2.gz AUNDFWOEWFAMGH-LLVKDONJSA-N 0 0 249.354 3.793 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)Nc1ccccc1O ZINC000543550329 325092730 /nfs/dbraw/zinc/09/27/30/325092730.db2.gz AUNDFWOEWFAMGH-NSHDSACASA-N 0 0 249.354 3.793 20 0 BHADRN 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CCc1ccccc1N[C@@H](CC)c1ccn(C)n1 ZINC000543624787 325098826 /nfs/dbraw/zinc/09/88/26/325098826.db2.gz AJFAABHCPFSWOY-ZDUSSCGKSA-N 0 0 243.354 3.546 20 0 BHADRN Cc1ccc(C)c([C@@H](C)N[C@H](C)c2ccon2)c1 ZINC000543627231 325098561 /nfs/dbraw/zinc/09/85/61/325098561.db2.gz VFNSYRVBFYQMNW-CHWSQXEVSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2ccon2)c1 ZINC000543627232 325098919 /nfs/dbraw/zinc/09/89/19/325098919.db2.gz VFNSYRVBFYQMNW-OLZOCXBDSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1ccc(C)c([C@H](C)N[C@H](C)c2ccon2)c1 ZINC000543627234 325098662 /nfs/dbraw/zinc/09/86/62/325098662.db2.gz VFNSYRVBFYQMNW-QWHCGFSZSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1ccc(C)c([C@H](C)N[C@@H](C)c2ccon2)c1 ZINC000543627235 325098455 /nfs/dbraw/zinc/09/84/55/325098455.db2.gz VFNSYRVBFYQMNW-STQMWFEESA-N 0 0 244.338 3.703 20 0 BHADRN C[C@H]1CCC[C@@H]1Nc1cccc2c1OCCC2 ZINC000543634838 325099281 /nfs/dbraw/zinc/09/92/81/325099281.db2.gz KRUCOSGREQXBMQ-AAEUAGOBSA-N 0 0 231.339 3.612 20 0 BHADRN 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0 248.370 3.791 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NC1CCCCC1 ZINC000544401492 325140684 /nfs/dbraw/zinc/14/06/84/325140684.db2.gz PTAHVQOVYPPAEJ-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NC1CCCCC1 ZINC000544401493 325141384 /nfs/dbraw/zinc/14/13/84/325141384.db2.gz PTAHVQOVYPPAEJ-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC000544401611 325141122 /nfs/dbraw/zinc/14/11/22/325141122.db2.gz LKXKJGDRIUWDFF-GFCCVEGCSA-N 0 0 227.392 3.707 20 0 BHADRN CCCCN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC000544401612 325141226 /nfs/dbraw/zinc/14/12/26/325141226.db2.gz LKXKJGDRIUWDFF-LBPRGKRZSA-N 0 0 227.392 3.707 20 0 BHADRN Cc1ccc(C)c(N(CCC(C)(C)O)C(C)C)c1 ZINC000544405120 325141111 /nfs/dbraw/zinc/14/11/11/325141111.db2.gz QHFOAGHLIHNRDN-UHFFFAOYSA-N 0 0 249.398 3.679 20 0 BHADRN Cc1cccc(CNc2ncc(C(C)C)s2)c1 ZINC000544410311 325141468 /nfs/dbraw/zinc/14/14/68/325141468.db2.gz FXQQKRWOMHJOLI-UHFFFAOYSA-N 0 0 246.379 3.609 20 0 BHADRN CCCN(C(=O)[C@H](C)CCC(C)(C)C)C1CC1 ZINC000544414479 325141910 /nfs/dbraw/zinc/14/19/10/325141910.db2.gz WVQLBCDWILOWIZ-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C1CC1 ZINC000544414480 325142222 /nfs/dbraw/zinc/14/22/22/325142222.db2.gz WVQLBCDWILOWIZ-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NC(C)(C)C1CC1 ZINC000544415239 325142335 /nfs/dbraw/zinc/14/23/35/325142335.db2.gz KWJJBYCFAAREII-LLVKDONJSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NC(C)(C)C1CC1 ZINC000544415240 325142459 /nfs/dbraw/zinc/14/24/59/325142459.db2.gz KWJJBYCFAAREII-NSHDSACASA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C[C@@H](C)NC(=O)[C@H](C)CCC(C)(C)C ZINC000544418423 325143206 /nfs/dbraw/zinc/14/32/06/325143206.db2.gz UXCHAKFQENIFQT-CHWSQXEVSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)C[C@H](C)NC(=O)[C@H](C)CCC(C)(C)C ZINC000544418424 325142878 /nfs/dbraw/zinc/14/28/78/325142878.db2.gz UXCHAKFQENIFQT-OLZOCXBDSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)C[C@@H](C)NC(=O)[C@@H](C)CCC(C)(C)C ZINC000544418425 325142993 /nfs/dbraw/zinc/14/29/93/325142993.db2.gz UXCHAKFQENIFQT-QWHCGFSZSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)C[C@H](C)NC(=O)[C@@H](C)CCC(C)(C)C ZINC000544418426 325142685 /nfs/dbraw/zinc/14/26/85/325142685.db2.gz UXCHAKFQENIFQT-STQMWFEESA-N 0 0 241.419 4.000 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N(C)C1CCCC1 ZINC000544429289 325142655 /nfs/dbraw/zinc/14/26/55/325142655.db2.gz BPBFOZBWWBJPOQ-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N(C)C1CCCC1 ZINC000544429291 325143223 /nfs/dbraw/zinc/14/32/23/325143223.db2.gz BPBFOZBWWBJPOQ-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NCC(C)(C)C ZINC000544432582 325142708 /nfs/dbraw/zinc/14/27/08/325142708.db2.gz IVMBKHYBDZPKHC-LLVKDONJSA-N 0 0 227.392 3.611 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NCC(C)(C)C ZINC000544432583 325142713 /nfs/dbraw/zinc/14/27/13/325142713.db2.gz IVMBKHYBDZPKHC-NSHDSACASA-N 0 0 227.392 3.611 20 0 BHADRN CC[C@@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC000544442819 325143853 /nfs/dbraw/zinc/14/38/53/325143853.db2.gz HKEGOLYIUBXNPQ-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC000544442820 325143514 /nfs/dbraw/zinc/14/35/14/325143514.db2.gz HKEGOLYIUBXNPQ-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC000544442821 325143825 /nfs/dbraw/zinc/14/38/25/325143825.db2.gz HKEGOLYIUBXNPQ-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC000544442823 325143331 /nfs/dbraw/zinc/14/33/31/325143331.db2.gz HKEGOLYIUBXNPQ-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NCCCC1CC1 ZINC000544443532 325143766 /nfs/dbraw/zinc/14/37/66/325143766.db2.gz NGJTVMPJMQYDRN-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NCCCC1CC1 ZINC000544443533 325143844 /nfs/dbraw/zinc/14/38/44/325143844.db2.gz NGJTVMPJMQYDRN-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CCC1(NC(=O)[C@H](C)CCC(C)(C)C)CCC1 ZINC000544446541 325143578 /nfs/dbraw/zinc/14/35/78/325143578.db2.gz KYRVSNLBOZYDOF-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCC1(NC(=O)[C@@H](C)CCC(C)(C)C)CCC1 ZINC000544446542 325143874 /nfs/dbraw/zinc/14/38/74/325143874.db2.gz KYRVSNLBOZYDOF-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000544454779 325144511 /nfs/dbraw/zinc/14/45/11/325144511.db2.gz IHIAZPWETUVSEZ-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000544454780 325144547 /nfs/dbraw/zinc/14/45/47/325144547.db2.gz IHIAZPWETUVSEZ-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000544454781 325144555 /nfs/dbraw/zinc/14/45/55/325144555.db2.gz IHIAZPWETUVSEZ-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000544454782 325144568 /nfs/dbraw/zinc/14/45/68/325144568.db2.gz IHIAZPWETUVSEZ-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)[C@@H]1CC12CCCC2 ZINC000544460610 325144387 /nfs/dbraw/zinc/14/43/87/325144387.db2.gz RGEVBQRSEDECMW-KBPBESRZSA-N 0 0 249.398 3.748 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCCC2 ZINC000544460611 325144214 /nfs/dbraw/zinc/14/42/14/325144214.db2.gz RGEVBQRSEDECMW-KGLIPLIRSA-N 0 0 249.398 3.748 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)[C@H]1CC12CCCC2 ZINC000544460612 325144429 /nfs/dbraw/zinc/14/44/29/325144429.db2.gz RGEVBQRSEDECMW-UONOGXRCSA-N 0 0 249.398 3.748 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)[C@H]1CC12CCCC2 ZINC000544460613 325144477 /nfs/dbraw/zinc/14/44/77/325144477.db2.gz RGEVBQRSEDECMW-ZIAGYGMSSA-N 0 0 249.398 3.748 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)CC(CC)CC ZINC000544460742 325144420 /nfs/dbraw/zinc/14/44/20/325144420.db2.gz WSKVZGGYTWIEMB-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)CC(CC)CC ZINC000544460743 325144513 /nfs/dbraw/zinc/14/45/13/325144513.db2.gz WSKVZGGYTWIEMB-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN CCC1(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCC1 ZINC000544462281 325144508 /nfs/dbraw/zinc/14/45/08/325144508.db2.gz YYPYKORDSVCDRU-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)CCC1 ZINC000544462282 325144497 /nfs/dbraw/zinc/14/44/97/325144497.db2.gz YYPYKORDSVCDRU-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)CCC1 ZINC000544462283 325144602 /nfs/dbraw/zinc/14/46/02/325144602.db2.gz YYPYKORDSVCDRU-RWMBFGLXSA-N 0 0 237.387 3.508 20 0 BHADRN CCC1(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)CCC1 ZINC000544462285 325143505 /nfs/dbraw/zinc/14/35/05/325143505.db2.gz YYPYKORDSVCDRU-YNEHKIRRSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N(CC)CC(F)F ZINC000544474093 325144172 /nfs/dbraw/zinc/14/41/72/325144172.db2.gz ZQRILDCKCHLPNN-LLVKDONJSA-N 0 0 249.345 3.707 20 0 BHADRN CCCC[C@H](CC)CC(=O)N(CC)CC(F)F ZINC000544474105 325144474 /nfs/dbraw/zinc/14/44/74/325144474.db2.gz ZQRILDCKCHLPNN-NSHDSACASA-N 0 0 249.345 3.707 20 0 BHADRN CCC(CC)c1noc(-c2cccc(C)c2)n1 ZINC000544532429 325145720 /nfs/dbraw/zinc/14/57/20/325145720.db2.gz HOHCUNASTXCGME-UHFFFAOYSA-N 0 0 230.311 3.949 20 0 BHADRN CCCCCOCc1nc(C(CC)CC)no1 ZINC000544533121 325145792 /nfs/dbraw/zinc/14/57/92/325145792.db2.gz YSTCAMTVXWCEJY-UHFFFAOYSA-N 0 0 240.347 3.680 20 0 BHADRN CCCC1(c2nc(C(CC)CC)no2)CC1 ZINC000544533165 325145979 /nfs/dbraw/zinc/14/59/79/325145979.db2.gz ZVFHGKWAILVRBE-UHFFFAOYSA-N 0 0 222.332 3.805 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CCC=C(F)C1 ZINC000544534928 325146987 /nfs/dbraw/zinc/14/69/87/325146987.db2.gz ICKXHDMQYGVETL-LLVKDONJSA-N 0 0 241.350 3.535 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1CCC=C(F)C1 ZINC000544534933 325146965 /nfs/dbraw/zinc/14/69/65/325146965.db2.gz ICKXHDMQYGVETL-NSHDSACASA-N 0 0 241.350 3.535 20 0 BHADRN C/C=C/C=C\c1nc(CC2CCCCC2)no1 ZINC000544537906 325146936 /nfs/dbraw/zinc/14/69/36/325146936.db2.gz UOJJZLOULGGONX-GQICYRDHSA-N 0 0 232.327 3.782 20 0 BHADRN C/C=C/C=C/c1nc(CC2CCCCC2)no1 ZINC000544537907 325147018 /nfs/dbraw/zinc/14/70/18/325147018.db2.gz UOJJZLOULGGONX-XPQLPGEHSA-N 0 0 232.327 3.782 20 0 BHADRN CC(C)[C@H]1CCN1C(=O)[C@H](C)CCC(C)(C)C ZINC000544540160 325147373 /nfs/dbraw/zinc/14/73/73/325147373.db2.gz PQGQDWILFKRGNH-CHWSQXEVSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)[C@@H]1CCN1C(=O)[C@H](C)CCC(C)(C)C ZINC000544540161 325147459 /nfs/dbraw/zinc/14/74/59/325147459.db2.gz PQGQDWILFKRGNH-OLZOCXBDSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)[C@H]1CCN1C(=O)[C@@H](C)CCC(C)(C)C ZINC000544540162 325147774 /nfs/dbraw/zinc/14/77/74/325147774.db2.gz PQGQDWILFKRGNH-QWHCGFSZSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)[C@@H]1CCN1C(=O)[C@@H](C)CCC(C)(C)C ZINC000544540163 325147771 /nfs/dbraw/zinc/14/77/71/325147771.db2.gz PQGQDWILFKRGNH-STQMWFEESA-N 0 0 239.403 3.706 20 0 BHADRN CCC(CC)c1noc(/C=C(\C)C2CC2)n1 ZINC000544540528 325147335 /nfs/dbraw/zinc/14/73/35/325147335.db2.gz RSKCTUQVJUEFRO-CMDGGOBGSA-N 0 0 220.316 3.787 20 0 BHADRN CCC(CC)c1noc(/C=C(/C)C2CC2)n1 ZINC000544540552 325147565 /nfs/dbraw/zinc/14/75/65/325147565.db2.gz RSKCTUQVJUEFRO-HJWRWDBZSA-N 0 0 220.316 3.787 20 0 BHADRN CCCCc1nc([C@H](C)c2ccc(C)cc2)no1 ZINC000544541628 325147750 /nfs/dbraw/zinc/14/77/50/325147750.db2.gz XOGKQCCVUQWNPS-GFCCVEGCSA-N 0 0 244.338 3.872 20 0 BHADRN CCCCc1nc([C@@H](C)c2ccc(C)cc2)no1 ZINC000544541655 325147480 /nfs/dbraw/zinc/14/74/80/325147480.db2.gz XOGKQCCVUQWNPS-LBPRGKRZSA-N 0 0 244.338 3.872 20 0 BHADRN CCC(CC)c1noc(CC2CCCC2)n1 ZINC000544545274 325147779 /nfs/dbraw/zinc/14/77/79/325147779.db2.gz QXJSVXMVYSMCLI-UHFFFAOYSA-N 0 0 222.332 3.706 20 0 BHADRN CCC(CC)c1noc(Cc2cccc(F)c2)n1 ZINC000544545867 325147519 /nfs/dbraw/zinc/14/75/19/325147519.db2.gz WVFOAGFWQFCQFT-UHFFFAOYSA-N 0 0 248.301 3.703 20 0 BHADRN CC[C@@H](C)c1nc(-c2ccc(F)cc2C)no1 ZINC000544545888 325147299 /nfs/dbraw/zinc/14/72/99/325147299.db2.gz YCDIPOLPWNKOTM-MRVPVSSYSA-N 0 0 234.274 3.698 20 0 BHADRN CC[C@H](C)c1nc(-c2ccc(F)cc2C)no1 ZINC000544545889 325147619 /nfs/dbraw/zinc/14/76/19/325147619.db2.gz YCDIPOLPWNKOTM-QMMMGPOBSA-N 0 0 234.274 3.698 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)NC1(C)CCC1 ZINC000544549304 325147326 /nfs/dbraw/zinc/14/73/26/325147326.db2.gz SDNAZCRTVUYKAL-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)NC1(C)CCC1 ZINC000544549305 325147476 /nfs/dbraw/zinc/14/74/76/325147476.db2.gz SDNAZCRTVUYKAL-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CCC12CCC2 ZINC000544562524 325148097 /nfs/dbraw/zinc/14/80/97/325148097.db2.gz SVHIZXHDBKHZQR-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1CCC12CCC2 ZINC000544562526 325148131 /nfs/dbraw/zinc/14/81/31/325148131.db2.gz SVHIZXHDBKHZQR-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N1CCCC1(C)C ZINC000544564944 325148998 /nfs/dbraw/zinc/14/89/98/325148998.db2.gz LSIVNTXTLQUABT-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N1CCCC1(C)C ZINC000544564945 325149369 /nfs/dbraw/zinc/14/93/69/325149369.db2.gz LSIVNTXTLQUABT-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CCCN1C(=O)[C@H](C)CCC(C)(C)C ZINC000544566447 325149168 /nfs/dbraw/zinc/14/91/68/325149168.db2.gz WZDBTDJBORTKOP-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCN1C(=O)[C@H](C)CCC(C)(C)C ZINC000544566448 325148937 /nfs/dbraw/zinc/14/89/37/325148937.db2.gz WZDBTDJBORTKOP-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@@H]1CCCN1C(=O)[C@@H](C)CCC(C)(C)C ZINC000544566550 325149174 /nfs/dbraw/zinc/14/91/74/325149174.db2.gz WZDBTDJBORTKOP-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCN1C(=O)[C@@H](C)CCC(C)(C)C ZINC000544566551 325149228 /nfs/dbraw/zinc/14/92/28/325149228.db2.gz WZDBTDJBORTKOP-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCC(CC)c1noc(CC(C)(C)C)n1 ZINC000544571316 325149002 /nfs/dbraw/zinc/14/90/02/325149002.db2.gz CYNUSJRSUWLFJO-UHFFFAOYSA-N 0 0 210.321 3.562 20 0 BHADRN CCC(CC)c1noc(-c2ccccc2C)n1 ZINC000544571586 325149289 /nfs/dbraw/zinc/14/92/89/325149289.db2.gz OAFOXYFAINZNBM-UHFFFAOYSA-N 0 0 230.311 3.949 20 0 BHADRN Cc1ccc([C@@H](NCc2ccco2)C2CCC2)o1 ZINC000544584308 325150381 /nfs/dbraw/zinc/15/03/81/325150381.db2.gz UHQRYIGPDYSQPG-HNNXBMFYSA-N 0 0 245.322 3.812 20 0 BHADRN Cc1ccc([C@H](NCc2ccco2)C2CCC2)o1 ZINC000544584309 325149935 /nfs/dbraw/zinc/14/99/35/325149935.db2.gz UHQRYIGPDYSQPG-OAHLLOKOSA-N 0 0 245.322 3.812 20 0 BHADRN Cc1cc(C)cc(-c2noc(C3(C)CCC3)n2)c1 ZINC000544589652 325151006 /nfs/dbraw/zinc/15/10/06/325151006.db2.gz ZJNNYUKJSQDCLV-UHFFFAOYSA-N 0 0 242.322 3.795 20 0 BHADRN CCN(Cc1cc(C)c(C)cc1C)CC(F)F ZINC000544595925 325150899 /nfs/dbraw/zinc/15/08/99/325150899.db2.gz JRXLNPBZGMQIOG-UHFFFAOYSA-N 0 0 241.325 3.699 20 0 BHADRN Cc1cc(C)cc(-c2noc(C3=CCCC3)n2)c1 ZINC000544599094 325150653 /nfs/dbraw/zinc/15/06/53/325150653.db2.gz NTDWVVUEJIDOBW-UHFFFAOYSA-N 0 0 240.306 3.921 20 0 BHADRN CC[C@@H](Nc1ccc(C)cc1C)c1ccn(C)n1 ZINC000544602000 325151858 /nfs/dbraw/zinc/15/18/58/325151858.db2.gz GQTUZCYLJDPDQO-CYBMUJFWSA-N 0 0 243.354 3.600 20 0 BHADRN CC[C@H](Nc1ccc(C)cc1C)c1ccn(C)n1 ZINC000544602008 325151920 /nfs/dbraw/zinc/15/19/20/325151920.db2.gz GQTUZCYLJDPDQO-ZDUSSCGKSA-N 0 0 243.354 3.600 20 0 BHADRN CCc1ccc([C@@H](C)N[C@@H](C)c2ccon2)cc1 ZINC000544602470 325150675 /nfs/dbraw/zinc/15/06/75/325150675.db2.gz LUCJCESBCWYJIW-NEPJUHHUSA-N 0 0 244.338 3.649 20 0 BHADRN CCc1ccc([C@H](C)N[C@H](C)c2ccon2)cc1 ZINC000544602471 325150775 /nfs/dbraw/zinc/15/07/75/325150775.db2.gz LUCJCESBCWYJIW-NWDGAFQWSA-N 0 0 244.338 3.649 20 0 BHADRN CCc1ccc([C@H](C)N[C@@H](C)c2ccon2)cc1 ZINC000544602472 325151199 /nfs/dbraw/zinc/15/11/99/325151199.db2.gz LUCJCESBCWYJIW-RYUDHWBXSA-N 0 0 244.338 3.649 20 0 BHADRN CCc1ccc([C@@H](C)N[C@H](C)c2ccon2)cc1 ZINC000544602473 325150608 /nfs/dbraw/zinc/15/06/08/325150608.db2.gz LUCJCESBCWYJIW-VXGBXAGGSA-N 0 0 244.338 3.649 20 0 BHADRN CC[C@@H](Nc1ccc(Cl)cc1)c1ccn(C)n1 ZINC000544603130 325151564 /nfs/dbraw/zinc/15/15/64/325151564.db2.gz PJDUVBCHZBYNMR-GFCCVEGCSA-N 0 0 249.745 3.637 20 0 BHADRN CC[C@H](Nc1ccc(Cl)cc1)c1ccn(C)n1 ZINC000544603141 325151568 /nfs/dbraw/zinc/15/15/68/325151568.db2.gz PJDUVBCHZBYNMR-LBPRGKRZSA-N 0 0 249.745 3.637 20 0 BHADRN CCc1ccc(N[C@@H](CC)c2ccn(C)n2)cc1 ZINC000544605100 325152028 /nfs/dbraw/zinc/15/20/28/325152028.db2.gz YNMNHMKDQODXOG-AWEZNQCLSA-N 0 0 243.354 3.546 20 0 BHADRN CCc1ccc(N[C@H](CC)c2ccn(C)n2)cc1 ZINC000544605101 325151424 /nfs/dbraw/zinc/15/14/24/325151424.db2.gz YNMNHMKDQODXOG-CQSZACIVSA-N 0 0 243.354 3.546 20 0 BHADRN Cc1cccc([C@@H](C)N[C@H](C)c2ccon2)c1C ZINC000544607204 325151736 /nfs/dbraw/zinc/15/17/36/325151736.db2.gz QZBZUUNVPTZHKZ-CHWSQXEVSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1cccc([C@@H](C)N[C@@H](C)c2ccon2)c1C ZINC000544607205 325151635 /nfs/dbraw/zinc/15/16/35/325151635.db2.gz QZBZUUNVPTZHKZ-OLZOCXBDSA-N 0 0 244.338 3.703 20 0 BHADRN Cc1cccc([C@H](C)N[C@@H](C)c2ccon2)c1C ZINC000544607207 323955867 /nfs/dbraw/zinc/95/58/67/323955867.db2.gz QZBZUUNVPTZHKZ-STQMWFEESA-N 0 0 244.338 3.703 20 0 BHADRN C[C@@H](CCC(C)(C)C)c1nc(CC2CC2)no1 ZINC000544616807 325152510 /nfs/dbraw/zinc/15/25/10/325152510.db2.gz FXVUMNYVYSSVRF-JTQLQIEISA-N 0 0 236.359 3.952 20 0 BHADRN C[C@H](CCC(C)(C)C)c1nc(CC2CC2)no1 ZINC000544616808 325152744 /nfs/dbraw/zinc/15/27/44/325152744.db2.gz FXVUMNYVYSSVRF-SNVBAGLBSA-N 0 0 236.359 3.952 20 0 BHADRN c1cc(SCCOCC2CC2)cc2c1CCC2 ZINC000544618377 325152416 /nfs/dbraw/zinc/15/24/16/325152416.db2.gz NPTVDZNEMZOASQ-UHFFFAOYSA-N 0 0 248.391 3.694 20 0 BHADRN CCC(CC)SCC[C@H]1CCCCO1 ZINC000544619414 325152262 /nfs/dbraw/zinc/15/22/62/325152262.db2.gz JIHCXOGWAAPEGR-LLVKDONJSA-N 0 0 216.390 3.867 20 0 BHADRN CCC(CC)SCC[C@@H]1CCCCO1 ZINC000544619419 325152384 /nfs/dbraw/zinc/15/23/84/325152384.db2.gz JIHCXOGWAAPEGR-NSHDSACASA-N 0 0 216.390 3.867 20 0 BHADRN CC(C)c1ccc(CN[C@H](C)c2ccon2)cc1 ZINC000544621233 325152575 /nfs/dbraw/zinc/15/25/75/325152575.db2.gz PUDUDJGGNSKKEF-GFCCVEGCSA-N 0 0 244.338 3.649 20 0 BHADRN CC(C)c1ccc(CN[C@@H](C)c2ccon2)cc1 ZINC000544621234 325152643 /nfs/dbraw/zinc/15/26/43/325152643.db2.gz PUDUDJGGNSKKEF-LBPRGKRZSA-N 0 0 244.338 3.649 20 0 BHADRN Clc1ccccc1OCC[C@H]1CCCCO1 ZINC000544622091 325152583 /nfs/dbraw/zinc/15/25/83/325152583.db2.gz RJBBEFQHVATBPW-LLVKDONJSA-N 0 0 240.730 3.678 20 0 BHADRN Clc1ccccc1OCC[C@@H]1CCCCO1 ZINC000544622092 325152410 /nfs/dbraw/zinc/15/24/10/325152410.db2.gz RJBBEFQHVATBPW-NSHDSACASA-N 0 0 240.730 3.678 20 0 BHADRN Clc1ccc(OCC[C@H]2CCCCO2)cc1 ZINC000544622259 325152537 /nfs/dbraw/zinc/15/25/37/325152537.db2.gz VRENPQZHJBWWNX-GFCCVEGCSA-N 0 0 240.730 3.678 20 0 BHADRN Clc1ccc(OCC[C@@H]2CCCCO2)cc1 ZINC000544622260 325152737 /nfs/dbraw/zinc/15/27/37/325152737.db2.gz VRENPQZHJBWWNX-LBPRGKRZSA-N 0 0 240.730 3.678 20 0 BHADRN CCC(CC)Sc1n[nH]c(-c2ccccc2)n1 ZINC000544622979 325152692 /nfs/dbraw/zinc/15/26/92/325152692.db2.gz DPQSLNWKHLFZMG-UHFFFAOYSA-N 0 0 247.367 3.752 20 0 BHADRN Clc1ccccc1SCCOCC1CC1 ZINC000544625676 325152763 /nfs/dbraw/zinc/15/27/63/325152763.db2.gz GWWVUNIEXSLNEK-UHFFFAOYSA-N 0 0 242.771 3.859 20 0 BHADRN Clc1cccc(OCC[C@H]2CCCCO2)c1 ZINC000544627016 325152358 /nfs/dbraw/zinc/15/23/58/325152358.db2.gz UXYAEJDKQMYWMX-GFCCVEGCSA-N 0 0 240.730 3.678 20 0 BHADRN Clc1cccc(OCC[C@@H]2CCCCO2)c1 ZINC000544627018 325152473 /nfs/dbraw/zinc/15/24/73/325152473.db2.gz UXYAEJDKQMYWMX-LBPRGKRZSA-N 0 0 240.730 3.678 20 0 BHADRN CC1CCC(CSCc2ccon2)CC1 ZINC000544641948 325153580 /nfs/dbraw/zinc/15/35/80/325153580.db2.gz AINYJMDAVGDWKU-UHFFFAOYSA-N 0 0 225.357 3.734 20 0 BHADRN CC1CCC(CSC[C@@H]2CCCOC2)CC1 ZINC000544642436 325153241 /nfs/dbraw/zinc/15/32/41/325153241.db2.gz IPYBXJPUWURMHP-JXQTWKCFSA-N 0 0 242.428 3.973 20 0 BHADRN CC1CCC(CSC[C@H]2CCCOC2)CC1 ZINC000544642442 325153388 /nfs/dbraw/zinc/15/33/88/325153388.db2.gz IPYBXJPUWURMHP-RUXDESIVSA-N 0 0 242.428 3.973 20 0 BHADRN CCOCCSCC1CCC(C)CC1 ZINC000544646756 325153632 /nfs/dbraw/zinc/15/36/32/325153632.db2.gz PRTIWGONOYCIED-UHFFFAOYSA-N 0 0 216.390 3.582 20 0 BHADRN c1cnc(SCC2CCCCCC2)cn1 ZINC000544676769 325154327 /nfs/dbraw/zinc/15/43/27/325154327.db2.gz KAQYYQSGXKCJBP-UHFFFAOYSA-N 0 0 222.357 3.539 20 0 BHADRN c1cnc(SCC2CCCCCC2)nc1 ZINC000544676833 325154196 /nfs/dbraw/zinc/15/41/96/325154196.db2.gz HFPUEYWHLVYLKE-UHFFFAOYSA-N 0 0 222.357 3.539 20 0 BHADRN COC(=O)C[C@@H](C)SCC1CCCCCC1 ZINC000544677428 325154018 /nfs/dbraw/zinc/15/40/18/325154018.db2.gz IXCVWHNYMXNAFR-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN COC(=O)C[C@H](C)SCC1CCCCCC1 ZINC000544677429 325154707 /nfs/dbraw/zinc/15/47/07/325154707.db2.gz IXCVWHNYMXNAFR-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN C[C@@H]1OCC[C@@H]1SCC1CCCCCC1 ZINC000544677639 325154402 /nfs/dbraw/zinc/15/44/02/325154402.db2.gz OOUIYYNKQRYRKH-AAEUAGOBSA-N 0 0 228.401 3.867 20 0 BHADRN C[C@H]1OCC[C@H]1SCC1CCCCCC1 ZINC000544677641 325154238 /nfs/dbraw/zinc/15/42/38/325154238.db2.gz OOUIYYNKQRYRKH-DGCLKSJQSA-N 0 0 228.401 3.867 20 0 BHADRN C[C@@H]1OCC[C@H]1SCC1CCCCCC1 ZINC000544677642 325154409 /nfs/dbraw/zinc/15/44/09/325154409.db2.gz OOUIYYNKQRYRKH-WCQYABFASA-N 0 0 228.401 3.867 20 0 BHADRN C[C@H]1OCC[C@@H]1SCC1CCCCCC1 ZINC000544677645 325153938 /nfs/dbraw/zinc/15/39/38/325153938.db2.gz OOUIYYNKQRYRKH-YPMHNXCESA-N 0 0 228.401 3.867 20 0 BHADRN CC(C)c1nccn1CC1CCCCCC1 ZINC000544678074 325154712 /nfs/dbraw/zinc/15/47/12/325154712.db2.gz YADBVLWOYVTRRP-UHFFFAOYSA-N 0 0 220.360 3.977 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CC2=CCCCC2)C[C@@H]1C ZINC000544692448 325154888 /nfs/dbraw/zinc/15/48/88/325154888.db2.gz STIPYKDTNDEEFO-IPYPFGDCSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)CC2=CCCCC2)C[C@H]1C ZINC000544692449 325154872 /nfs/dbraw/zinc/15/48/72/325154872.db2.gz STIPYKDTNDEEFO-NFAWXSAZSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CC2=CCCCC2)C[C@H]1C ZINC000544692450 325155115 /nfs/dbraw/zinc/15/51/15/325155115.db2.gz STIPYKDTNDEEFO-UMVBOHGHSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)CC2=CCCCC2)C[C@@H]1C ZINC000544692451 325154841 /nfs/dbraw/zinc/15/48/41/325154841.db2.gz STIPYKDTNDEEFO-VNHYZAJKSA-N 0 0 249.398 3.818 20 0 BHADRN CSc1ccc(OC2CCCC2)cc1 ZINC000544694293 490180527 /nfs/dbraw/zinc/18/05/27/490180527.db2.gz IBGFQFGMKSVRQG-UHFFFAOYSA-N 0 0 208.326 3.730 20 0 BHADRN COc1ccc2c(c1)nccc2OC1CCCC1 ZINC000544695054 325154815 /nfs/dbraw/zinc/15/48/15/325154815.db2.gz YVTDIQFRIFXLGB-UHFFFAOYSA-N 0 0 243.306 3.565 20 0 BHADRN Cn1nccc1CSCC1CCCCCC1 ZINC000544697591 325155753 /nfs/dbraw/zinc/15/57/53/325155753.db2.gz KWXXLHKKRLQGRV-UHFFFAOYSA-N 0 0 238.400 3.624 20 0 BHADRN C[C@@H]1CCN(c2nc3ccccc3o2)CC1(C)C ZINC000544701724 325155637 /nfs/dbraw/zinc/15/56/37/325155637.db2.gz OHKSOTAYQPBSPF-LLVKDONJSA-N 0 0 244.338 3.700 20 0 BHADRN C[C@H]1CCN(c2nc3ccccc3o2)CC1(C)C ZINC000544701733 325155826 /nfs/dbraw/zinc/15/58/26/325155826.db2.gz OHKSOTAYQPBSPF-NSHDSACASA-N 0 0 244.338 3.700 20 0 BHADRN C[C@H]1CCN(c2ccc(Cl)cn2)CC1(C)C ZINC000544705165 325155776 /nfs/dbraw/zinc/15/57/76/325155776.db2.gz ZGXCXACJFUFSLP-JTQLQIEISA-N 0 0 238.762 3.607 20 0 BHADRN C[C@@H]1CCN(c2ccc(Cl)cn2)CC1(C)C ZINC000544705166 325155875 /nfs/dbraw/zinc/15/58/75/325155875.db2.gz ZGXCXACJFUFSLP-SNVBAGLBSA-N 0 0 238.762 3.607 20 0 BHADRN C/C=C/C=C\c1nc(-c2cc(C)cc(C)c2)no1 ZINC000544711191 325155718 /nfs/dbraw/zinc/15/57/18/325155718.db2.gz HGJXIJGSNHRTSA-DEQVHDEQSA-N 0 0 240.306 3.943 20 0 BHADRN C/C=C/C=C/c1nc(-c2cc(C)cc(C)c2)no1 ZINC000544711192 325155464 /nfs/dbraw/zinc/15/54/64/325155464.db2.gz HGJXIJGSNHRTSA-YTXTXJHMSA-N 0 0 240.306 3.943 20 0 BHADRN C/C=C/C=C/c1nc([C@@H]2CCCC[C@H]2C)no1 ZINC000544719448 325156586 /nfs/dbraw/zinc/15/65/86/325156586.db2.gz SDUUAAQKKDDCBN-NUAYXZIPSA-N 0 0 232.327 3.953 20 0 BHADRN C/C=C/C=C\c1nc([C@@H]2CCCC[C@H]2C)no1 ZINC000544719449 325156714 /nfs/dbraw/zinc/15/67/14/325156714.db2.gz SDUUAAQKKDDCBN-NVFSPGPWSA-N 0 0 232.327 3.953 20 0 BHADRN C/C=C/C=C/c1nc([C@@H]2CCCC[C@@H]2C)no1 ZINC000544719450 325156354 /nfs/dbraw/zinc/15/63/54/325156354.db2.gz SDUUAAQKKDDCBN-RHWBTERLSA-N 0 0 232.327 3.953 20 0 BHADRN C/C=C/C=C\c1nc([C@@H]2CCCC[C@@H]2C)no1 ZINC000544719451 325156511 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C=Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 ZINC000545177757 325183023 /nfs/dbraw/zinc/18/30/23/325183023.db2.gz GKYMQVIDGANVSH-DOMZBBRYSA-N 0 0 243.350 3.638 20 0 BHADRN C=Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000545177758 325183387 /nfs/dbraw/zinc/18/33/87/325183387.db2.gz GKYMQVIDGANVSH-IUODEOHRSA-N 0 0 243.350 3.638 20 0 BHADRN C=Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1 ZINC000545177759 325183336 /nfs/dbraw/zinc/18/33/36/325183336.db2.gz GKYMQVIDGANVSH-SWLSCSKDSA-N 0 0 243.350 3.638 20 0 BHADRN C=Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cc1 ZINC000545177760 325183314 /nfs/dbraw/zinc/18/33/14/325183314.db2.gz GKYMQVIDGANVSH-WFASDCNBSA-N 0 0 243.350 3.638 20 0 BHADRN CC[C@@H]1CCCN(c2nccc(C)c2Cl)C1 ZINC000545178261 325183059 /nfs/dbraw/zinc/18/30/59/325183059.db2.gz YDVSFJLCVKGOEP-LLVKDONJSA-N 0 0 238.762 3.670 20 0 BHADRN CC[C@H]1CCCN(c2nccc(C)c2Cl)C1 ZINC000545178262 325183014 /nfs/dbraw/zinc/18/30/14/325183014.db2.gz YDVSFJLCVKGOEP-NSHDSACASA-N 0 0 238.762 3.670 20 0 BHADRN 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HLJJVKHOJDQGGS-UHFFFAOYSA-N 0 0 230.311 3.733 20 0 BHADRN CCc1noc(-c2cc3cc(C)c(C)cc3o2)n1 ZINC000545521576 325227054 /nfs/dbraw/zinc/22/70/54/325227054.db2.gz RIWFCAUJBHXZBY-UHFFFAOYSA-N 0 0 242.278 3.662 20 0 BHADRN Cc1ccccc1Cc1noc(C2CCCC2)n1 ZINC000545522735 325226984 /nfs/dbraw/zinc/22/69/84/325226984.db2.gz RUQRJYJBIVDDSE-UHFFFAOYSA-N 0 0 242.322 3.626 20 0 BHADRN C/C=C/C=C\c1nc(-c2cccc(C)c2)no1 ZINC000545522809 325226837 /nfs/dbraw/zinc/22/68/37/325226837.db2.gz XSRWYSNLEOHTIS-BEHOXYOFSA-N 0 0 226.279 3.634 20 0 BHADRN C/C=C/C=C/c1nc(-c2cccc(C)c2)no1 ZINC000545522810 325227225 /nfs/dbraw/zinc/22/72/25/325227225.db2.gz XSRWYSNLEOHTIS-PRKJJMSOSA-N 0 0 226.279 3.634 20 0 BHADRN Cc1cccc(-c2noc(C[C@@H]3C=CCC3)n2)c1 ZINC000545523515 325226940 /nfs/dbraw/zinc/22/69/40/325226940.db2.gz LGPCDQHASPCDOP-GFCCVEGCSA-N 0 0 240.306 3.554 20 0 BHADRN Cc1cccc(-c2noc(C[C@H]3C=CCC3)n2)c1 ZINC000545523518 325227089 /nfs/dbraw/zinc/22/70/89/325227089.db2.gz LGPCDQHASPCDOP-LBPRGKRZSA-N 0 0 240.306 3.554 20 0 BHADRN CC/C=C(/C)c1nc(Cc2ccccc2C)no1 ZINC000545523530 325227128 /nfs/dbraw/zinc/22/71/28/325227128.db2.gz LPRGSAAERHCRAL-GHXNOFRVSA-N 0 0 242.322 3.782 20 0 BHADRN CC/C=C(\C)c1nc(Cc2ccccc2C)no1 ZINC000545523531 325227160 /nfs/dbraw/zinc/22/71/60/325227160.db2.gz LPRGSAAERHCRAL-KPKJPENVSA-N 0 0 242.322 3.782 20 0 BHADRN Cc1cccc(-c2noc([C@H]3CCC[C@@H]3C)n2)c1 ZINC000545523845 325226884 /nfs/dbraw/zinc/22/68/84/325226884.db2.gz YLMIJIURFIWUQY-AAEUAGOBSA-N 0 0 242.322 3.949 20 0 BHADRN Cc1cccc(-c2noc([C@@H]3CCC[C@H]3C)n2)c1 ZINC000545523850 325227008 /nfs/dbraw/zinc/22/70/08/325227008.db2.gz YLMIJIURFIWUQY-DGCLKSJQSA-N 0 0 242.322 3.949 20 0 BHADRN Cc1cccc(-c2noc([C@@H]3CCC[C@@H]3C)n2)c1 ZINC000545523851 325226777 /nfs/dbraw/zinc/22/67/77/325226777.db2.gz YLMIJIURFIWUQY-WCQYABFASA-N 0 0 242.322 3.949 20 0 BHADRN Cc1cccc(-c2noc([C@H]3CCC[C@H]3C)n2)c1 ZINC000545523853 325227149 /nfs/dbraw/zinc/22/71/49/325227149.db2.gz YLMIJIURFIWUQY-YPMHNXCESA-N 0 0 242.322 3.949 20 0 BHADRN Cc1cccc(-c2noc([C@@H](C)C3CC3)n2)c1 ZINC000545524053 325227133 /nfs/dbraw/zinc/22/71/33/325227133.db2.gz PAXYIZPHNCEUSR-JTQLQIEISA-N 0 0 228.295 3.559 20 0 BHADRN Cc1cccc(-c2noc([C@H](C)C3CC3)n2)c1 ZINC000545524054 325227243 /nfs/dbraw/zinc/22/72/43/325227243.db2.gz PAXYIZPHNCEUSR-SNVBAGLBSA-N 0 0 228.295 3.559 20 0 BHADRN CCC[C@@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000545524253 325227028 /nfs/dbraw/zinc/22/70/28/325227028.db2.gz USXPTKPWDHUINO-LLVKDONJSA-N 0 0 230.311 3.949 20 0 BHADRN CCC[C@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000545524254 325227061 /nfs/dbraw/zinc/22/70/61/325227061.db2.gz USXPTKPWDHUINO-NSHDSACASA-N 0 0 230.311 3.949 20 0 BHADRN CC(C)=C(F)c1nc(-c2cccc(C)c2)no1 ZINC000545524801 325226947 /nfs/dbraw/zinc/22/69/47/325226947.db2.gz SVPZZARAHCDJCO-UHFFFAOYSA-N 0 0 232.258 3.765 20 0 BHADRN CCc1noc(C[C@@H](CC)c2ccc(C)cc2)n1 ZINC000545526391 325226804 /nfs/dbraw/zinc/22/68/04/325226804.db2.gz VBPPURARLQZROB-GFCCVEGCSA-N 0 0 244.338 3.677 20 0 BHADRN CCc1noc(C[C@H](CC)c2ccc(C)cc2)n1 ZINC000545526393 325227020 /nfs/dbraw/zinc/22/70/20/325227020.db2.gz VBPPURARLQZROB-LBPRGKRZSA-N 0 0 244.338 3.677 20 0 BHADRN CCCC1(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000545526590 325226797 /nfs/dbraw/zinc/22/67/97/325226797.db2.gz BDXHHDNRFLFUOO-UHFFFAOYSA-N 0 0 246.285 3.707 20 0 BHADRN CC/C=C(\C)c1nc(-c2cccc(F)c2)no1 ZINC000545527393 325227668 /nfs/dbraw/zinc/22/76/68/325227668.db2.gz ZSUWCAAUWNTCDW-WEVVVXLNSA-N 0 0 232.258 3.689 20 0 BHADRN Fc1cccc(-c2noc(C3CCCCC3)n2)c1 ZINC000545527880 325227637 /nfs/dbraw/zinc/22/76/37/325227637.db2.gz PPPOCLLPRPPNSF-UHFFFAOYSA-N 0 0 246.285 3.923 20 0 BHADRN CC[C@]1(C)C[C@@H]1c1nc(-c2cccc(F)c2)no1 ZINC000545528197 325227618 /nfs/dbraw/zinc/22/76/18/325227618.db2.gz RWBQPDQYLAVCFV-BXUZGUMPSA-N 0 0 246.285 3.779 20 0 BHADRN CC[C@@]1(C)C[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC000545528199 325227648 /nfs/dbraw/zinc/22/76/48/325227648.db2.gz RWBQPDQYLAVCFV-FZMZJTMJSA-N 0 0 246.285 3.779 20 0 BHADRN CC[C@@]1(C)C[C@@H]1c1nc(-c2cccc(F)c2)no1 ZINC000545528200 325227624 /nfs/dbraw/zinc/22/76/24/325227624.db2.gz RWBQPDQYLAVCFV-RISCZKNCSA-N 0 0 246.285 3.779 20 0 BHADRN CC[C@]1(C)C[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC000545528202 325227839 /nfs/dbraw/zinc/22/78/39/325227839.db2.gz RWBQPDQYLAVCFV-SMDDNHRTSA-N 0 0 246.285 3.779 20 0 BHADRN Fc1ccc(-c2noc(/C=C/C3CCC3)n2)cc1 ZINC000545528328 325227477 /nfs/dbraw/zinc/22/74/77/325227477.db2.gz QEJRJZGHEGZJNV-RUDMXATFSA-N 0 0 244.269 3.689 20 0 BHADRN Fc1ccc(-c2noc(/C=C\C3CCC3)n2)cc1 ZINC000545528352 325227651 /nfs/dbraw/zinc/22/76/51/325227651.db2.gz QEJRJZGHEGZJNV-WTKPLQERSA-N 0 0 244.269 3.689 20 0 BHADRN CC(C)(C)CCc1nc(-c2cccc(F)c2)no1 ZINC000545530004 325227609 /nfs/dbraw/zinc/22/76/09/325227609.db2.gz NLASTPUXBHLSLQ-UHFFFAOYSA-N 0 0 248.301 3.854 20 0 BHADRN C/C(=C\c1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000545530380 325227567 /nfs/dbraw/zinc/22/75/67/325227567.db2.gz XCAQPNIBIZGRBG-CMDGGOBGSA-N 0 0 244.269 3.689 20 0 BHADRN C/C(=C/c1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000545530381 325227598 /nfs/dbraw/zinc/22/75/98/325227598.db2.gz XCAQPNIBIZGRBG-HJWRWDBZSA-N 0 0 244.269 3.689 20 0 BHADRN CCC1(c2nc(-c3ccc(F)cc3)no2)CCC1 ZINC000545531178 325227527 /nfs/dbraw/zinc/22/75/27/325227527.db2.gz LKFLRLQXFVHSHX-UHFFFAOYSA-N 0 0 246.285 3.707 20 0 BHADRN CC/C=C(\C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000545532477 325227535 /nfs/dbraw/zinc/22/75/35/325227535.db2.gz JPHQRPXLPYFQHO-WEVVVXLNSA-N 0 0 246.285 3.997 20 0 BHADRN C[C@@H]1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC000545533689 325227770 /nfs/dbraw/zinc/22/77/70/325227770.db2.gz IUWZEUDVYSXZKR-BXKDBHETSA-N 0 0 246.285 3.779 20 0 BHADRN C[C@H]1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 ZINC000545533690 325227514 /nfs/dbraw/zinc/22/75/14/325227514.db2.gz IUWZEUDVYSXZKR-CABZTGNLSA-N 0 0 246.285 3.779 20 0 BHADRN C[C@H]1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC000545533691 325227640 /nfs/dbraw/zinc/22/76/40/325227640.db2.gz IUWZEUDVYSXZKR-JOYOIKCWSA-N 0 0 246.285 3.779 20 0 BHADRN C[C@@H]1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 ZINC000545533693 325227672 /nfs/dbraw/zinc/22/76/72/325227672.db2.gz IUWZEUDVYSXZKR-SKDRFNHKSA-N 0 0 246.285 3.779 20 0 BHADRN CCC(C)(C)c1nc(-c2cccc(F)c2)no1 ZINC000545541175 325227790 /nfs/dbraw/zinc/22/77/90/325227790.db2.gz JNGCEVRWTDDQPX-UHFFFAOYSA-N 0 0 234.274 3.563 20 0 BHADRN C[C@H]1CC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000545542353 325227548 /nfs/dbraw/zinc/22/75/48/325227548.db2.gz HLDAWECETGLFBP-GXSJLCMTSA-N 0 0 246.285 3.779 20 0 BHADRN C[C@@H]1CC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000545542354 325227660 /nfs/dbraw/zinc/22/76/60/325227660.db2.gz HLDAWECETGLFBP-KOLCDFICSA-N 0 0 246.285 3.779 20 0 BHADRN C[C@@H]1CC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000545542355 325227719 /nfs/dbraw/zinc/22/77/19/325227719.db2.gz HLDAWECETGLFBP-MWLCHTKSSA-N 0 0 246.285 3.779 20 0 BHADRN C[C@H]1CC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000545542356 325227505 /nfs/dbraw/zinc/22/75/05/325227505.db2.gz HLDAWECETGLFBP-ONGXEEELSA-N 0 0 246.285 3.779 20 0 BHADRN CCCCCc1nc(-c2ccc(F)cc2)no1 ZINC000545542875 325227471 /nfs/dbraw/zinc/22/74/71/325227471.db2.gz TUGYVMOIGAZIRO-UHFFFAOYSA-N 0 0 234.274 3.608 20 0 BHADRN CC1(c2nc(-c3cccc(F)c3)no2)CCCC1 ZINC000545543339 325227755 /nfs/dbraw/zinc/22/77/55/325227755.db2.gz ZSVQOXGOVDLGDG-UHFFFAOYSA-N 0 0 246.285 3.707 20 0 BHADRN CCCC1(c2nc(-c3cccc(F)c3)no2)CC1 ZINC000545543425 325227737 /nfs/dbraw/zinc/22/77/37/325227737.db2.gz SGNNDBQQXSKDEX-UHFFFAOYSA-N 0 0 246.285 3.707 20 0 BHADRN CC/C=C(\C)c1nc(Cc2cccc(F)c2)no1 ZINC000545543528 325227725 /nfs/dbraw/zinc/22/77/25/325227725.db2.gz XAOYICQDTHZYLK-BJMVGYQFSA-N 0 0 246.285 3.613 20 0 BHADRN CC/C=C(/C)c1nc(Cc2cccc(F)c2)no1 ZINC000545543529 325227733 /nfs/dbraw/zinc/22/77/33/325227733.db2.gz XAOYICQDTHZYLK-YHYXMXQVSA-N 0 0 246.285 3.613 20 0 BHADRN CC(C)c1nc(-c2cccc(Cl)c2)no1 ZINC000545543601 325227524 /nfs/dbraw/zinc/22/75/24/325227524.db2.gz WGIPGECKQJNBGF-UHFFFAOYSA-N 0 0 222.675 3.513 20 0 BHADRN CC(C)Cc1noc(/C=C/c2ccc(F)cc2)n1 ZINC000545545357 325228338 /nfs/dbraw/zinc/22/83/38/325228338.db2.gz DOTQUNXKQKTOJG-VMPITWQZSA-N 0 0 246.285 3.578 20 0 BHADRN CC(C)Cc1noc(/C=C\c2ccc(F)cc2)n1 ZINC000545545358 325228134 /nfs/dbraw/zinc/22/81/34/325228134.db2.gz DOTQUNXKQKTOJG-YVMONPNESA-N 0 0 246.285 3.578 20 0 BHADRN CC(C)Cc1noc(-c2ccc(Cl)s2)n1 ZINC000545545527 325228471 /nfs/dbraw/zinc/22/84/71/325228471.db2.gz JUSIRWFELOEUQP-UHFFFAOYSA-N 0 0 242.731 3.650 20 0 BHADRN CCC(=Cc1nc(Cc2ccccc2)no1)CC ZINC000545545809 325228252 /nfs/dbraw/zinc/22/82/52/325228252.db2.gz MBDBEKIUPIRABW-UHFFFAOYSA-N 0 0 242.322 3.864 20 0 BHADRN C[C@@H]1CC[C@H](Cc2nc(-c3ccccc3)no2)C1 ZINC000545548899 325228113 /nfs/dbraw/zinc/22/81/13/325228113.db2.gz RTWDNQGKXUZIFU-NEPJUHHUSA-N 0 0 242.322 3.715 20 0 BHADRN C[C@H]1CC[C@@H](Cc2nc(-c3ccccc3)no2)C1 ZINC000545548900 325228342 /nfs/dbraw/zinc/22/83/42/325228342.db2.gz RTWDNQGKXUZIFU-NWDGAFQWSA-N 0 0 242.322 3.715 20 0 BHADRN C[C@H]1CC[C@H](Cc2nc(-c3ccccc3)no2)C1 ZINC000545548901 325228326 /nfs/dbraw/zinc/22/83/26/325228326.db2.gz RTWDNQGKXUZIFU-RYUDHWBXSA-N 0 0 242.322 3.715 20 0 BHADRN C[C@@H]1CC[C@@H](Cc2nc(-c3ccccc3)no2)C1 ZINC000545548902 325228302 /nfs/dbraw/zinc/22/83/02/325228302.db2.gz RTWDNQGKXUZIFU-VXGBXAGGSA-N 0 0 242.322 3.715 20 0 BHADRN CC(C)c1noc(-c2csc3c2CCCC3)n1 ZINC000545549323 325228414 /nfs/dbraw/zinc/22/84/14/325228414.db2.gz CICXIFHOGHFWCY-UHFFFAOYSA-N 0 0 248.351 3.800 20 0 BHADRN COc1ccccc1CN(C)c1cccc(C)c1 ZINC000545550226 325228430 /nfs/dbraw/zinc/22/84/30/325228430.db2.gz VYQKXRVALSAUGO-UHFFFAOYSA-N 0 0 241.334 3.640 20 0 BHADRN CC[C@@H]1C[C@H](CN(C)c2cccc(C)c2)CCO1 ZINC000545550277 325228490 /nfs/dbraw/zinc/22/84/90/325228490.db2.gz XXPHPUAYTGSESS-GDBMZVCRSA-N 0 0 247.382 3.636 20 0 BHADRN CC[C@@H]1C[C@@H](CN(C)c2cccc(C)c2)CCO1 ZINC000545550279 325228334 /nfs/dbraw/zinc/22/83/34/325228334.db2.gz XXPHPUAYTGSESS-GOEBONIOSA-N 0 0 247.382 3.636 20 0 BHADRN CC[C@H]1C[C@@H](CN(C)c2cccc(C)c2)CCO1 ZINC000545550280 325228270 /nfs/dbraw/zinc/22/82/70/325228270.db2.gz XXPHPUAYTGSESS-HOCLYGCPSA-N 0 0 247.382 3.636 20 0 BHADRN CC[C@H]1C[C@H](CN(C)c2cccc(C)c2)CCO1 ZINC000545550282 325228445 /nfs/dbraw/zinc/22/84/45/325228445.db2.gz XXPHPUAYTGSESS-ZBFHGGJFSA-N 0 0 247.382 3.636 20 0 BHADRN CC(C)c1noc(CC2CCC(C)CC2)n1 ZINC000545553015 325228440 /nfs/dbraw/zinc/22/84/40/325228440.db2.gz DFMPIQSILBORQV-UHFFFAOYSA-N 0 0 222.332 3.562 20 0 BHADRN Cc1ccccc1-c1noc([C@@H]2C[C@@H]2C2CC2)n1 ZINC000545553166 325228219 /nfs/dbraw/zinc/22/82/19/325228219.db2.gz UIPYBNZEBCVYHU-CHWSQXEVSA-N 0 0 240.306 3.559 20 0 BHADRN Cc1ccccc1-c1noc([C@H]2C[C@@H]2C2CC2)n1 ZINC000545553167 325228074 /nfs/dbraw/zinc/22/80/74/325228074.db2.gz UIPYBNZEBCVYHU-OLZOCXBDSA-N 0 0 240.306 3.559 20 0 BHADRN Cc1ccccc1-c1noc([C@@H]2C[C@H]2C2CC2)n1 ZINC000545553168 325228308 /nfs/dbraw/zinc/22/83/08/325228308.db2.gz UIPYBNZEBCVYHU-QWHCGFSZSA-N 0 0 240.306 3.559 20 0 BHADRN Cc1ccccc1-c1noc([C@H]2C[C@H]2C2CC2)n1 ZINC000545553169 325228432 /nfs/dbraw/zinc/22/84/32/325228432.db2.gz UIPYBNZEBCVYHU-STQMWFEESA-N 0 0 240.306 3.559 20 0 BHADRN 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3.514 20 0 BHADRN Cc1ccc(Cc2nc(CCC(C)C)no2)cc1 ZINC000545695094 325233154 /nfs/dbraw/zinc/23/31/54/325233154.db2.gz DQJSUOXXUTXANF-UHFFFAOYSA-N 0 0 244.338 3.557 20 0 BHADRN Cc1cc(C)cc(-c2noc(CC(C)C)n2)c1 ZINC000545695182 325232900 /nfs/dbraw/zinc/23/29/00/325232900.db2.gz MKRPQMAWJBVRJH-UHFFFAOYSA-N 0 0 230.311 3.552 20 0 BHADRN Cc1cc(C)cc(-c2noc(C3CC=CC3)n2)c1 ZINC000545695935 325233079 /nfs/dbraw/zinc/23/30/79/325233079.db2.gz RKKXVWWVTFDSIB-UHFFFAOYSA-N 0 0 240.306 3.787 20 0 BHADRN Cc1cc(C)cc(-c2noc(C(C)(C)C)n2)c1 ZINC000545697638 325233213 /nfs/dbraw/zinc/23/32/13/325233213.db2.gz ZZHLLHDQFJTBEC-UHFFFAOYSA-N 0 0 230.311 3.651 20 0 BHADRN Cc1cc(-c2nc(CCC(C)C)no2)oc1C ZINC000545700842 325232833 /nfs/dbraw/zinc/23/28/33/325232833.db2.gz GZSLKSWXMWYSPZ-UHFFFAOYSA-N 0 0 234.299 3.535 20 0 BHADRN Cc1ccc(F)cc1-c1noc(CCC2CC2)n1 ZINC000545702550 325233182 /nfs/dbraw/zinc/23/31/82/325233182.db2.gz VQLYTSPTJSXZSJ-UHFFFAOYSA-N 0 0 246.285 3.527 20 0 BHADRN CC(C)CCc1noc(/C=C/c2ccsc2)n1 ZINC000545703394 325233177 /nfs/dbraw/zinc/23/31/77/325233177.db2.gz OMFGOJPVSAQCCI-GQCTYLIASA-N 0 0 248.351 3.890 20 0 BHADRN CC(C)CCc1noc(/C=C\c2ccsc2)n1 ZINC000545703395 325232798 /nfs/dbraw/zinc/23/27/98/325232798.db2.gz OMFGOJPVSAQCCI-XQRVVYSFSA-N 0 0 248.351 3.890 20 0 BHADRN Cc1ccc(-c2nc(CCC(C)C)no2)c(F)c1 ZINC000545703526 325232992 /nfs/dbraw/zinc/23/29/92/325232992.db2.gz NUTMSPVJAKTPBO-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN Cc1ccc(F)cc1-c1noc(C2CC(C)C2)n1 ZINC000545704731 325232862 /nfs/dbraw/zinc/23/28/62/325232862.db2.gz HXKQYTPBRYJYNG-UHFFFAOYSA-N 0 0 246.285 3.698 20 0 BHADRN Cc1cc(-c2nc(CCC(C)C)no2)ccc1F ZINC000545704979 325233164 /nfs/dbraw/zinc/23/31/64/325233164.db2.gz KJSGQOPMNMKBDU-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN CCC[C@H](C)c1nc(CCC(C)C)no1 ZINC000545706051 325233107 /nfs/dbraw/zinc/23/31/07/325233107.db2.gz NBPZCMOEZMCSTA-JTQLQIEISA-N 0 0 210.321 3.562 20 0 BHADRN CCC[C@@H](C)c1nc(CCC(C)C)no1 ZINC000545706055 325232983 /nfs/dbraw/zinc/23/29/83/325232983.db2.gz NBPZCMOEZMCSTA-SNVBAGLBSA-N 0 0 210.321 3.562 20 0 BHADRN Cc1ccc(F)cc1-c1noc([C@H](C)C2CC2)n1 ZINC000545707053 325233563 /nfs/dbraw/zinc/23/35/63/325233563.db2.gz LIBOMRWRFLKGCO-SECBINFHSA-N 0 0 246.285 3.698 20 0 BHADRN Cc1ccc(F)cc1-c1noc([C@@H](C)C2CC2)n1 ZINC000545707054 325233653 /nfs/dbraw/zinc/23/36/53/325233653.db2.gz LIBOMRWRFLKGCO-VIFPVBQESA-N 0 0 246.285 3.698 20 0 BHADRN CC[C@@H](C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000545712217 325233356 /nfs/dbraw/zinc/23/33/56/325233356.db2.gz GLNJTRWLHREWQN-BDAKNGLRSA-N 0 0 210.321 3.733 20 0 BHADRN CC[C@H](C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000545712218 325233486 /nfs/dbraw/zinc/23/34/86/325233486.db2.gz GLNJTRWLHREWQN-DTWKUNHWSA-N 0 0 210.321 3.733 20 0 BHADRN CC[C@H](C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000545712219 325233399 /nfs/dbraw/zinc/23/33/99/325233399.db2.gz GLNJTRWLHREWQN-IUCAKERBSA-N 0 0 210.321 3.733 20 0 BHADRN CC[C@@H](C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000545712220 325233686 /nfs/dbraw/zinc/23/36/86/325233686.db2.gz GLNJTRWLHREWQN-RKDXNWHRSA-N 0 0 210.321 3.733 20 0 BHADRN CCCCc1nc([C@@H](C)C(C)(C)C)no1 ZINC000545716055 325233426 /nfs/dbraw/zinc/23/34/26/325233426.db2.gz OIUHMERGRSMGAV-SECBINFHSA-N 0 0 210.321 3.562 20 0 BHADRN CCCCc1nc([C@H](C)C(C)(C)C)no1 ZINC000545716056 325233537 /nfs/dbraw/zinc/23/35/37/325233537.db2.gz OIUHMERGRSMGAV-VIFPVBQESA-N 0 0 210.321 3.562 20 0 BHADRN C[C@H](c1noc(C[C@@H]2C=CCC2)n1)C(C)(C)C ZINC000545717176 325233512 /nfs/dbraw/zinc/23/35/12/325233512.db2.gz FSURAYVLEZZFQF-GHMZBOCLSA-N 0 0 234.343 3.728 20 0 BHADRN C[C@H](c1noc(C[C@H]2C=CCC2)n1)C(C)(C)C ZINC000545717177 325233670 /nfs/dbraw/zinc/23/36/70/325233670.db2.gz FSURAYVLEZZFQF-MNOVXSKESA-N 0 0 234.343 3.728 20 0 BHADRN C[C@@H](c1noc(C[C@H]2C=CCC2)n1)C(C)(C)C ZINC000545717178 325233522 /nfs/dbraw/zinc/23/35/22/325233522.db2.gz FSURAYVLEZZFQF-QWRGUYRKSA-N 0 0 234.343 3.728 20 0 BHADRN C[C@@H](c1noc(C[C@@H]2C=CCC2)n1)C(C)(C)C ZINC000545717179 325233449 /nfs/dbraw/zinc/23/34/49/325233449.db2.gz FSURAYVLEZZFQF-WDEREUQCSA-N 0 0 234.343 3.728 20 0 BHADRN CCC1(c2nc([C@@H](C)C(C)(C)C)no2)CC1 ZINC000545717282 325233690 /nfs/dbraw/zinc/23/36/90/325233690.db2.gz HWJVDFYWCRKBOO-SECBINFHSA-N 0 0 222.332 3.661 20 0 BHADRN CCC1(c2nc([C@H](C)C(C)(C)C)no2)CC1 ZINC000545717283 325233769 /nfs/dbraw/zinc/23/37/69/325233769.db2.gz HWJVDFYWCRKBOO-VIFPVBQESA-N 0 0 222.332 3.661 20 0 BHADRN C[C@H](c1noc(C2CCCC2)n1)C(C)(C)C ZINC000545717423 325233657 /nfs/dbraw/zinc/23/36/57/325233657.db2.gz JGEBTKOZFVGVJB-SECBINFHSA-N 0 0 222.332 3.877 20 0 BHADRN C[C@@H](c1noc(C2CCCC2)n1)C(C)(C)C ZINC000545717424 325233526 /nfs/dbraw/zinc/23/35/26/325233526.db2.gz JGEBTKOZFVGVJB-VIFPVBQESA-N 0 0 222.332 3.877 20 0 BHADRN CCCCOCc1nc([C@H](C)C(C)(C)C)no1 ZINC000545717744 325233779 /nfs/dbraw/zinc/23/37/79/325233779.db2.gz JVRGWCSRZGXOPW-JTQLQIEISA-N 0 0 240.347 3.536 20 0 BHADRN CCCCOCc1nc([C@@H](C)C(C)(C)C)no1 ZINC000545717749 325233764 /nfs/dbraw/zinc/23/37/64/325233764.db2.gz JVRGWCSRZGXOPW-SNVBAGLBSA-N 0 0 240.347 3.536 20 0 BHADRN C[C@H](c1noc(C(C)(C)C)n1)C(C)(C)C ZINC000545718044 325233783 /nfs/dbraw/zinc/23/37/83/325233783.db2.gz IYBARWVUQKENOQ-MRVPVSSYSA-N 0 0 210.321 3.517 20 0 BHADRN C[C@@H](c1noc(C(C)(C)C)n1)C(C)(C)C ZINC000545718045 325233587 /nfs/dbraw/zinc/23/35/87/325233587.db2.gz IYBARWVUQKENOQ-QMMMGPOBSA-N 0 0 210.321 3.517 20 0 BHADRN CCSCc1noc(-c2ccc(CC)cc2)n1 ZINC000545721689 325234233 /nfs/dbraw/zinc/23/42/33/325234233.db2.gz RTGREJNZSJMMAN-UHFFFAOYSA-N 0 0 248.351 3.552 20 0 BHADRN CC[C@@H](C)c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000545721838 325234296 /nfs/dbraw/zinc/23/42/96/325234296.db2.gz YZVPLAQDLLTARL-SECBINFHSA-N 0 0 246.310 3.567 20 0 BHADRN CC[C@H](C)c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000545721839 325234114 /nfs/dbraw/zinc/23/41/14/325234114.db2.gz YZVPLAQDLLTARL-VIFPVBQESA-N 0 0 246.310 3.567 20 0 BHADRN Cc1ccc(Cc2nc([C@H](C)C(C)(C)C)no2)o1 ZINC000545722233 325234365 /nfs/dbraw/zinc/23/43/65/325234365.db2.gz CCHYRHYFBZGDLM-JTQLQIEISA-N 0 0 248.326 3.711 20 0 BHADRN Cc1ccc(Cc2nc([C@@H](C)C(C)(C)C)no2)o1 ZINC000545722234 325234103 /nfs/dbraw/zinc/23/41/03/325234103.db2.gz CCHYRHYFBZGDLM-SNVBAGLBSA-N 0 0 248.326 3.711 20 0 BHADRN C[C@H](Oc1ccccc1)c1noc(C(C)(C)C)n1 ZINC000545723827 325234238 /nfs/dbraw/zinc/23/42/38/325234238.db2.gz HQGMCSOUIYBFGX-JTQLQIEISA-N 0 0 246.310 3.507 20 0 BHADRN C[C@@H](Oc1ccccc1)c1noc(C(C)(C)C)n1 ZINC000545723828 325233987 /nfs/dbraw/zinc/23/39/87/325233987.db2.gz HQGMCSOUIYBFGX-SNVBAGLBSA-N 0 0 246.310 3.507 20 0 BHADRN CC(C)CCc1nc([C@H](C)C(C)(C)C)no1 ZINC000545727324 325234332 /nfs/dbraw/zinc/23/43/32/325234332.db2.gz MZUIGVCDMDDVET-JTQLQIEISA-N 0 0 224.348 3.808 20 0 BHADRN CC(C)CCc1nc([C@@H](C)C(C)(C)C)no1 ZINC000545727326 325234164 /nfs/dbraw/zinc/23/41/64/325234164.db2.gz MZUIGVCDMDDVET-SNVBAGLBSA-N 0 0 224.348 3.808 20 0 BHADRN CCC(C)(C)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000545729045 325234335 /nfs/dbraw/zinc/23/43/35/325234335.db2.gz DZYJBUXOFLPPLQ-SECBINFHSA-N 0 0 224.348 3.907 20 0 BHADRN CCC(C)(C)c1nc([C@H](C)C(C)(C)C)no1 ZINC000545729046 325234278 /nfs/dbraw/zinc/23/42/78/325234278.db2.gz DZYJBUXOFLPPLQ-VIFPVBQESA-N 0 0 224.348 3.907 20 0 BHADRN C[C@@H](c1noc(-c2ccccc2)n1)C(C)(C)C ZINC000545735101 325234805 /nfs/dbraw/zinc/23/48/05/325234805.db2.gz MHVHGZVBUUMMKA-JTQLQIEISA-N 0 0 230.311 3.886 20 0 BHADRN C[C@H](c1noc(-c2ccccc2)n1)C(C)(C)C ZINC000545735102 325234742 /nfs/dbraw/zinc/23/47/42/325234742.db2.gz MHVHGZVBUUMMKA-SNVBAGLBSA-N 0 0 230.311 3.886 20 0 BHADRN C[C@@H](Cc1noc(C(C)(C)F)n1)c1ccccc1 ZINC000545763521 325235427 /nfs/dbraw/zinc/23/54/27/325235427.db2.gz URMUEFNACDOCCT-JTQLQIEISA-N 0 0 248.301 3.620 20 0 BHADRN C[C@H](Cc1noc(C(C)(C)F)n1)c1ccccc1 ZINC000545763524 325235424 /nfs/dbraw/zinc/23/54/24/325235424.db2.gz URMUEFNACDOCCT-SNVBAGLBSA-N 0 0 248.301 3.620 20 0 BHADRN C[C@H](Cc1noc(C(C)(C)C)n1)c1ccccc1 ZINC000545763637 325235418 /nfs/dbraw/zinc/23/54/18/325235418.db2.gz PTBMDRCQCZJPHC-LLVKDONJSA-N 0 0 244.338 3.713 20 0 BHADRN C[C@@H](Cc1noc(C(C)(C)C)n1)c1ccccc1 ZINC000545763638 325235366 /nfs/dbraw/zinc/23/53/66/325235366.db2.gz PTBMDRCQCZJPHC-NSHDSACASA-N 0 0 244.338 3.713 20 0 BHADRN CC(C)c1nc(C[C@@H](C)c2ccccc2)no1 ZINC000545764705 325235656 /nfs/dbraw/zinc/23/56/56/325235656.db2.gz SRNYELCUTJETHV-LLVKDONJSA-N 0 0 230.311 3.539 20 0 BHADRN CC(C)c1nc(C[C@H](C)c2ccccc2)no1 ZINC000545764729 325235351 /nfs/dbraw/zinc/23/53/51/325235351.db2.gz SRNYELCUTJETHV-NSHDSACASA-N 0 0 230.311 3.539 20 0 BHADRN CSc1ccc(-c2nc([C@@H]3C[C@@H]3C)no2)cc1 ZINC000545767217 325235587 /nfs/dbraw/zinc/23/55/87/325235587.db2.gz GJPFHSLRGIVCGI-GZMMTYOYSA-N 0 0 246.335 3.582 20 0 BHADRN CSc1ccc(-c2nc([C@H]3C[C@H]3C)no2)cc1 ZINC000545767223 325235387 /nfs/dbraw/zinc/23/53/87/325235387.db2.gz GJPFHSLRGIVCGI-KCJUWKMLSA-N 0 0 246.335 3.582 20 0 BHADRN CSc1ccc(-c2nc([C@H]3C[C@@H]3C)no2)cc1 ZINC000545767226 325235514 /nfs/dbraw/zinc/23/55/14/325235514.db2.gz GJPFHSLRGIVCGI-KWQFWETISA-N 0 0 246.335 3.582 20 0 BHADRN CSc1ccc(-c2nc([C@@H]3C[C@H]3C)no2)cc1 ZINC000545767228 325235530 /nfs/dbraw/zinc/23/55/30/325235530.db2.gz GJPFHSLRGIVCGI-LDYMZIIASA-N 0 0 246.335 3.582 20 0 BHADRN C[C@H](CC1CCCC1)c1nc([C@@H]2C[C@H]2C)no1 ZINC000545767951 325236112 /nfs/dbraw/zinc/23/61/12/325236112.db2.gz KNTVQYDISUXBOX-CKYFFXLPSA-N 0 0 234.343 3.877 20 0 BHADRN C[C@H](CC1CCCC1)c1nc([C@H]2C[C@H]2C)no1 ZINC000545767960 325236215 /nfs/dbraw/zinc/23/62/15/325236215.db2.gz KNTVQYDISUXBOX-FOGDFJRCSA-N 0 0 234.343 3.877 20 0 BHADRN C[C@H](CC1CCCC1)c1nc([C@@H]2C[C@@H]2C)no1 ZINC000545767977 325236081 /nfs/dbraw/zinc/23/60/81/325236081.db2.gz KNTVQYDISUXBOX-HOSYDEDBSA-N 0 0 234.343 3.877 20 0 BHADRN C[C@H](CC1CCCC1)c1nc([C@H]2C[C@@H]2C)no1 ZINC000545767978 325236004 /nfs/dbraw/zinc/23/60/04/325236004.db2.gz KNTVQYDISUXBOX-UMNHJUIQSA-N 0 0 234.343 3.877 20 0 BHADRN Cc1cccc(/C=C/c2nc([C@@H]3C[C@H]3C)no2)c1 ZINC000545768581 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ZINC000545769241 325236316 /nfs/dbraw/zinc/23/63/16/325236316.db2.gz KXSKIKKZPCSSKL-PWSUYJOCSA-N 0 0 242.322 3.519 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(C(C)(C)c2ccccc2)n1 ZINC000545769243 325235969 /nfs/dbraw/zinc/23/59/69/325235969.db2.gz KXSKIKKZPCSSKL-ZYHUDNBSSA-N 0 0 242.322 3.519 20 0 BHADRN C/C(=C\c1nc([C@@H]2C[C@@H]2C)no1)c1ccccc1 ZINC000545770018 325236259 /nfs/dbraw/zinc/23/62/59/325236259.db2.gz NMLIOENHJFTLQS-IMYBMRPDSA-N 0 0 240.306 3.754 20 0 BHADRN C/C(=C/c1nc([C@@H]2C[C@H]2C)no1)c1ccccc1 ZINC000545770019 325236091 /nfs/dbraw/zinc/23/60/91/325236091.db2.gz NMLIOENHJFTLQS-JNEOLCFQSA-N 0 0 240.306 3.754 20 0 BHADRN C/C(=C/c1nc([C@@H]2C[C@@H]2C)no1)c1ccccc1 ZINC000545770020 325236135 /nfs/dbraw/zinc/23/61/35/325236135.db2.gz NMLIOENHJFTLQS-LWGPBUPDSA-N 0 0 240.306 3.754 20 0 BHADRN C/C(=C\c1nc([C@@H]2C[C@H]2C)no1)c1ccccc1 ZINC000545770022 325236244 /nfs/dbraw/zinc/23/62/44/325236244.db2.gz NMLIOENHJFTLQS-SEDDIGHHSA-N 0 0 240.306 3.754 20 0 BHADRN 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ZINC000545825129 325239410 /nfs/dbraw/zinc/23/94/10/325239410.db2.gz RUPAPKIXNLMPNS-MNOVXSKESA-N 0 0 236.359 3.808 20 0 BHADRN CC[C@@H](Cc1nc([C@@H](C)C2CC2)no1)C(C)C ZINC000545825130 325239180 /nfs/dbraw/zinc/23/91/80/325239180.db2.gz RUPAPKIXNLMPNS-QWRGUYRKSA-N 0 0 236.359 3.808 20 0 BHADRN CC[C@H](Cc1nc([C@@H](C)C2CC2)no1)C(C)C ZINC000545825131 325239407 /nfs/dbraw/zinc/23/94/07/325239407.db2.gz RUPAPKIXNLMPNS-WDEREUQCSA-N 0 0 236.359 3.808 20 0 BHADRN Cc1ccc(-c2nc(CCC3CC3)no2)c(F)c1 ZINC000545825842 325239164 /nfs/dbraw/zinc/23/91/64/325239164.db2.gz BPYKUTQOJSTQKF-UHFFFAOYSA-N 0 0 246.285 3.527 20 0 BHADRN C(CC1CC1)c1noc(CCC2CCCC2)n1 ZINC000545826560 325239462 /nfs/dbraw/zinc/23/94/62/325239462.db2.gz PYHGVYZINKYKCU-UHFFFAOYSA-N 0 0 234.343 3.535 20 0 BHADRN Fc1cccc(SCCCc2ccncc2)c1 ZINC000545835458 325240386 /nfs/dbraw/zinc/24/03/86/325240386.db2.gz BTXNAMZMKSUWBK-UHFFFAOYSA-N 0 0 247.338 3.946 20 0 BHADRN CCCCC(=O)NCC1(CC)CCCCC1 ZINC000545839233 325240165 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0 0 236.340 3.948 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NCCCC(C)(C)C ZINC000545908956 325245564 /nfs/dbraw/zinc/24/55/64/325245564.db2.gz HFLBSSWPNIASIY-GFCCVEGCSA-N 0 0 227.392 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NCCCC(C)(C)C ZINC000545908965 325245726 /nfs/dbraw/zinc/24/57/26/325245726.db2.gz HFLBSSWPNIASIY-LBPRGKRZSA-N 0 0 227.392 3.611 20 0 BHADRN Cc1cc(COc2ccc(C3CCC3)cc2)on1 ZINC000545926632 388466100 /nfs/dbraw/zinc/46/61/00/388466100.db2.gz PEGFAXSOVBBOPK-UHFFFAOYSA-N 0 0 243.306 3.830 20 0 BHADRN CCc1nn(C)cc1N[C@H](C)CCCC(C)C ZINC000545979128 325252817 /nfs/dbraw/zinc/25/28/17/325252817.db2.gz MJEUXLLXODQSSX-GFCCVEGCSA-N 0 0 237.391 3.609 20 0 BHADRN CCc1nn(C)cc1N[C@@H](C)CCCC(C)C ZINC000545979130 325252915 /nfs/dbraw/zinc/25/29/15/325252915.db2.gz MJEUXLLXODQSSX-LBPRGKRZSA-N 0 0 237.391 3.609 20 0 BHADRN CCc1nn(C)cc1N[C@H](C)CCC1CCCC1 ZINC000545979229 325252728 /nfs/dbraw/zinc/25/27/28/325252728.db2.gz YZRIJVJYLSNQSH-GFCCVEGCSA-N 0 0 249.402 3.753 20 0 BHADRN CCc1nn(C)cc1N[C@@H](C)CCC1CCCC1 ZINC000545979230 325252865 /nfs/dbraw/zinc/25/28/65/325252865.db2.gz YZRIJVJYLSNQSH-LBPRGKRZSA-N 0 0 249.402 3.753 20 0 BHADRN CCc1ccc(N[C@H](C)CCOC)cc1CC ZINC000546009631 325257262 /nfs/dbraw/zinc/25/72/62/325257262.db2.gz VEHPYJRDSVXWMG-GFCCVEGCSA-N 0 0 235.371 3.648 20 0 BHADRN CCc1ccc(N[C@@H](C)CCOC)cc1CC ZINC000546009632 325256885 /nfs/dbraw/zinc/25/68/85/325256885.db2.gz VEHPYJRDSVXWMG-LBPRGKRZSA-N 0 0 235.371 3.648 20 0 BHADRN C=Cc1ccc(C(=O)N[C@H](C)CCC2CC2)cc1 ZINC000546014675 325257984 /nfs/dbraw/zinc/25/79/84/325257984.db2.gz QWUAENSCOZHYQR-GFCCVEGCSA-N 0 0 243.350 3.638 20 0 BHADRN C=Cc1ccc(C(=O)N[C@@H](C)CCC2CC2)cc1 ZINC000546014676 325257970 /nfs/dbraw/zinc/25/79/70/325257970.db2.gz QWUAENSCOZHYQR-LBPRGKRZSA-N 0 0 243.350 3.638 20 0 BHADRN CC(C)SCc1ccc2ncccc2c1 ZINC000546019965 325259280 /nfs/dbraw/zinc/25/92/80/325259280.db2.gz SIABXWGEXWRRMK-UHFFFAOYSA-N 0 0 217.337 3.876 20 0 BHADRN c1cnc2ccc(CSCC3CC3)cc2c1 ZINC000546020227 325259166 /nfs/dbraw/zinc/25/91/66/325259166.db2.gz WUIXXECFAZXPKV-UHFFFAOYSA-N 0 0 229.348 3.878 20 0 BHADRN FCCCSCc1ccc2ncccc2c1 ZINC000546020233 325259170 /nfs/dbraw/zinc/25/91/70/325259170.db2.gz XJRHWWXJKNKFJD-UHFFFAOYSA-N 0 0 235.327 3.828 20 0 BHADRN COC[C@@H](C)SCc1ccc2ncccc2c1 ZINC000546020532 325259193 /nfs/dbraw/zinc/25/91/93/325259193.db2.gz CXKBQGUFEPHIBD-LLVKDONJSA-N 0 0 247.363 3.503 20 0 BHADRN COC[C@H](C)SCc1ccc2ncccc2c1 ZINC000546020533 325259082 /nfs/dbraw/zinc/25/90/82/325259082.db2.gz CXKBQGUFEPHIBD-NSHDSACASA-N 0 0 247.363 3.503 20 0 BHADRN CC(C)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000546024407 325259857 /nfs/dbraw/zinc/25/98/57/325259857.db2.gz IVURHXVMIYEJCD-UHFFFAOYSA-N 0 0 247.319 3.662 20 0 BHADRN c1cnc2cccc(OC3CCCC3)c2c1 ZINC000546045272 325262530 /nfs/dbraw/zinc/26/25/30/325262530.db2.gz QELOTIGHASUWSB-UHFFFAOYSA-N 0 0 213.280 3.556 20 0 BHADRN c1cnn(CCSCC2CCCCCC2)c1 ZINC000546049286 325262525 /nfs/dbraw/zinc/26/25/25/325262525.db2.gz YQUGUGWDPCLUEI-UHFFFAOYSA-N 0 0 238.400 3.587 20 0 BHADRN C(S[C@@H]1CCCOC1)C1CCCCCC1 ZINC000546095226 325265153 /nfs/dbraw/zinc/26/51/53/325265153.db2.gz ZCHURPAXHSONSE-CYBMUJFWSA-N 0 0 228.401 3.869 20 0 BHADRN C(S[C@H]1CCCOC1)C1CCCCCC1 ZINC000546095227 325264441 /nfs/dbraw/zinc/26/44/41/325264441.db2.gz ZCHURPAXHSONSE-ZDUSSCGKSA-N 0 0 228.401 3.869 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000546133325 325268340 /nfs/dbraw/zinc/26/83/40/325268340.db2.gz APDITTOOJYHQFO-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000546133330 325268408 /nfs/dbraw/zinc/26/84/08/325268408.db2.gz APDITTOOJYHQFO-OLZOCXBDSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](C)CC(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000546133331 325268473 /nfs/dbraw/zinc/26/84/73/325268473.db2.gz APDITTOOJYHQFO-QWHCGFSZSA-N 0 0 239.403 3.707 20 0 BHADRN CCC[C@H](C)CC(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000546133333 325268496 /nfs/dbraw/zinc/26/84/96/325268496.db2.gz APDITTOOJYHQFO-STQMWFEESA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H]1CCN(C(=O)CCC(C)(C)C)CC1(C)C ZINC000546133425 325268457 /nfs/dbraw/zinc/26/84/57/325268457.db2.gz CAYHRWRSVAARHI-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@H]1CCN(C(=O)CCC(C)(C)C)CC1(C)C ZINC000546133427 325268390 /nfs/dbraw/zinc/26/83/90/325268390.db2.gz CAYHRWRSVAARHI-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN CC(=O)[C@@H](C)SCC1CCC(C)CC1 ZINC000546152384 325268864 /nfs/dbraw/zinc/26/88/64/325268864.db2.gz VZABFMYYUTWZKZ-CKBZRRDASA-N 0 0 214.374 3.523 20 0 BHADRN CC(=O)[C@H](C)SCC1CCC(C)CC1 ZINC000546152385 325269323 /nfs/dbraw/zinc/26/93/23/325269323.db2.gz VZABFMYYUTWZKZ-ZYXZCXLHSA-N 0 0 214.374 3.523 20 0 BHADRN Cc1cccc(C)c1[C@H](C)NC(=O)C1CC(C)C1 ZINC000546159649 325269167 /nfs/dbraw/zinc/26/91/67/325269167.db2.gz BCBYCCHBQRDHRK-AWAWDMARSA-N 0 0 245.366 3.527 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)NC(=O)C1CC(C)C1 ZINC000546159650 487631724 /nfs/dbraw/zinc/63/17/24/487631724.db2.gz BCBYCCHBQRDHRK-IWXRYERYSA-N 0 0 245.366 3.527 20 0 BHADRN Cc1cccc(C)c1[C@H](C)NC(=O)[C@@H](C)C(C)C ZINC000546159683 325269100 /nfs/dbraw/zinc/26/91/00/325269100.db2.gz DMQZRDZQAGMCOW-KBPBESRZSA-N 0 0 247.382 3.773 20 0 BHADRN Cc1cccc(C)c1[C@H](C)NC(=O)[C@H](C)C(C)C ZINC000546159684 325269123 /nfs/dbraw/zinc/26/91/23/325269123.db2.gz DMQZRDZQAGMCOW-KGLIPLIRSA-N 0 0 247.382 3.773 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)NC(=O)[C@@H](C)C(C)C ZINC000546159685 325269286 /nfs/dbraw/zinc/26/92/86/325269286.db2.gz DMQZRDZQAGMCOW-UONOGXRCSA-N 0 0 247.382 3.773 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)NC(=O)[C@H](C)C(C)C ZINC000546159686 325268853 /nfs/dbraw/zinc/26/88/53/325268853.db2.gz DMQZRDZQAGMCOW-ZIAGYGMSSA-N 0 0 247.382 3.773 20 0 BHADRN CCN(CCC1CC1)C(=O)CC1CCCCC1 ZINC000546159982 325268975 /nfs/dbraw/zinc/26/89/75/325268975.db2.gz RSOASYOKCKSTBP-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@@H](CC(=O)N(CC)CCC1CC1)C(C)C ZINC000546160945 325268969 /nfs/dbraw/zinc/26/89/69/325268969.db2.gz JXLQRYNQCOJQRK-AWEZNQCLSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](CC(=O)N(CC)CCC1CC1)C(C)C ZINC000546160946 325268846 /nfs/dbraw/zinc/26/88/46/325268846.db2.gz JXLQRYNQCOJQRK-CQSZACIVSA-N 0 0 239.403 3.707 20 0 BHADRN CCN(CCC1CC1)C(=O)CCCC(C)(C)C ZINC000546161768 325269091 /nfs/dbraw/zinc/26/90/91/325269091.db2.gz WRABJXBVSKRMCA-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)(C)c1cccc(OCC2CCOCC2)c1 ZINC000546179912 325270048 /nfs/dbraw/zinc/27/00/48/325270048.db2.gz VFKJRUWILUGFRU-UHFFFAOYSA-N 0 0 248.366 3.790 20 0 BHADRN CCCC[C@@H](CC)Cn1nc(CC)nc1CC ZINC000546180317 325269998 /nfs/dbraw/zinc/26/99/98/325269998.db2.gz ZNLZDLDGHHQHDP-GFCCVEGCSA-N 0 0 237.391 3.619 20 0 BHADRN CCCC[C@H](CC)Cn1nc(CC)nc1CC ZINC000546180318 325269574 /nfs/dbraw/zinc/26/95/74/325269574.db2.gz ZNLZDLDGHHQHDP-LBPRGKRZSA-N 0 0 237.391 3.619 20 0 BHADRN Cc1cc(OCC2CCOCC2)ccc1C(C)C ZINC000546181283 325270690 /nfs/dbraw/zinc/27/06/90/325270690.db2.gz QBBHZUYLZUKJRV-UHFFFAOYSA-N 0 0 248.366 3.924 20 0 BHADRN CC1=CCN(C(=O)c2ccc(C(C)C)s2)CC1 ZINC000546195478 325270509 /nfs/dbraw/zinc/27/05/09/325270509.db2.gz ICHHPJRAHLJXDS-UHFFFAOYSA-N 0 0 249.379 3.664 20 0 BHADRN CCN(CCC1CC1)C(=O)C(C)(C)CC(C)C ZINC000546207344 325271187 /nfs/dbraw/zinc/27/11/87/325271187.db2.gz GUDHWQMIKDJFQN-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CCN(CCC1CC1)C(=O)Nc1ccccc1C ZINC000546209579 325271380 /nfs/dbraw/zinc/27/13/80/325271380.db2.gz JFMALLIWIQNJRN-UHFFFAOYSA-N 0 0 246.354 3.649 20 0 BHADRN CCCCc1ccc(Cc2nc(CC)no2)cc1 ZINC000546226835 325271834 /nfs/dbraw/zinc/27/18/34/325271834.db2.gz SEUGIRQGYANGKR-UHFFFAOYSA-N 0 0 244.338 3.565 20 0 BHADRN CC[C@@H](SC)c1nc(-c2cccc(C)c2)no1 ZINC000546226908 325271866 /nfs/dbraw/zinc/27/18/66/325271866.db2.gz XFWPBXYANHEGIS-LLVKDONJSA-N 0 0 248.351 3.859 20 0 BHADRN CC[C@H](SC)c1nc(-c2cccc(C)c2)no1 ZINC000546226909 325272081 /nfs/dbraw/zinc/27/20/81/325272081.db2.gz XFWPBXYANHEGIS-NSHDSACASA-N 0 0 248.351 3.859 20 0 BHADRN CCc1noc(-c2ccc(Cl)cc2Cl)n1 ZINC000546226988 325271724 /nfs/dbraw/zinc/27/17/24/325271724.db2.gz ZCYMKOSMVVUCJT-UHFFFAOYSA-N 0 0 243.093 3.606 20 0 BHADRN CC[C@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000546227083 325271718 /nfs/dbraw/zinc/27/17/18/325271718.db2.gz DIHPRBGFVIZNOE-JTQLQIEISA-N 0 0 216.284 3.559 20 0 BHADRN CC[C@@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000546227084 325271844 /nfs/dbraw/zinc/27/18/44/325271844.db2.gz DIHPRBGFVIZNOE-SNVBAGLBSA-N 0 0 216.284 3.559 20 0 BHADRN CCc1noc(CCCC2CCCCC2)n1 ZINC000546227193 325272094 /nfs/dbraw/zinc/27/20/94/325272094.db2.gz IAJLELVMRWJWQH-UHFFFAOYSA-N 0 0 222.332 3.535 20 0 BHADRN C/C=C/C=C/c1nc(Cc2ccccc2C)no1 ZINC000546229225 325272367 /nfs/dbraw/zinc/27/23/67/325272367.db2.gz NGQCKPUJJPLKLP-COBAKMAKSA-N 0 0 240.306 3.558 20 0 BHADRN C/C=C/C=C\c1nc(Cc2ccccc2C)no1 ZINC000546229226 325272677 /nfs/dbraw/zinc/27/26/77/325272677.db2.gz NGQCKPUJJPLKLP-STMOGGTPSA-N 0 0 240.306 3.558 20 0 BHADRN CCc1noc(C[C@@H](C)c2ccc(CC)cc2)n1 ZINC000546229452 325272085 /nfs/dbraw/zinc/27/20/85/325272085.db2.gz WQZMLZXJTCTYTA-LLVKDONJSA-N 0 0 244.338 3.541 20 0 BHADRN CCc1noc(C[C@H](C)c2ccc(CC)cc2)n1 ZINC000546229453 325271800 /nfs/dbraw/zinc/27/18/00/325271800.db2.gz WQZMLZXJTCTYTA-NSHDSACASA-N 0 0 244.338 3.541 20 0 BHADRN CCc1noc([C@@H](C)CCc2ccccc2F)n1 ZINC000546229508 325272768 /nfs/dbraw/zinc/27/27/68/325272768.db2.gz ZZEIKGRQDGDZND-JTQLQIEISA-N 0 0 248.301 3.507 20 0 BHADRN CCc1noc([C@H](C)CCc2ccccc2F)n1 ZINC000546229509 325272648 /nfs/dbraw/zinc/27/26/48/325272648.db2.gz ZZEIKGRQDGDZND-SNVBAGLBSA-N 0 0 248.301 3.507 20 0 BHADRN Cc1ccc(-c2nc(-c3cccc(C)c3)no2)o1 ZINC000546229598 325272780 /nfs/dbraw/zinc/27/27/80/325272780.db2.gz NVOHZISJKFXNBT-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN CC/C=C(\C)c1nc(-c2cccc(C)c2)no1 ZINC000546230252 325272421 /nfs/dbraw/zinc/27/24/21/325272421.db2.gz CYOAMNJVDKMQQU-IZZDOVSWSA-N 0 0 228.295 3.858 20 0 BHADRN CC/C=C(/C)c1nc(-c2cccc(C)c2)no1 ZINC000546230253 325272471 /nfs/dbraw/zinc/27/24/71/325272471.db2.gz CYOAMNJVDKMQQU-WDZFZDKYSA-N 0 0 228.295 3.858 20 0 BHADRN CCCC1(c2nc(-c3cccc(C)c3)no2)CC1 ZINC000546230424 325272690 /nfs/dbraw/zinc/27/26/90/325272690.db2.gz HXWABJGZPJACQZ-UHFFFAOYSA-N 0 0 242.322 3.877 20 0 BHADRN CCc1noc([C@@H](C)CCc2cccc(F)c2)n1 ZINC000546230688 325272591 /nfs/dbraw/zinc/27/25/91/325272591.db2.gz PXPKJWVDDRYYDF-JTQLQIEISA-N 0 0 248.301 3.507 20 0 BHADRN CCc1noc([C@H](C)CCc2cccc(F)c2)n1 ZINC000546230689 325272576 /nfs/dbraw/zinc/27/25/76/325272576.db2.gz PXPKJWVDDRYYDF-SNVBAGLBSA-N 0 0 248.301 3.507 20 0 BHADRN Cc1ccccc1Cc1noc(CCC(C)C)n1 ZINC000546230779 325272475 /nfs/dbraw/zinc/27/24/75/325272475.db2.gz UWWKPGVJWIGJCM-UHFFFAOYSA-N 0 0 244.338 3.557 20 0 BHADRN CC(C)=C(F)c1nc(Cc2ccccc2C)no1 ZINC000546230856 325272655 /nfs/dbraw/zinc/27/26/55/325272655.db2.gz FPUWHSPNVBAFJJ-UHFFFAOYSA-N 0 0 246.285 3.689 20 0 BHADRN Cc1cccc(-c2noc(-c3ccsc3)n2)c1 ZINC000546231084 325272362 /nfs/dbraw/zinc/27/23/62/325272362.db2.gz KPSFFDPMRNLWNE-UHFFFAOYSA-N 0 0 242.303 3.774 20 0 BHADRN CCCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000546231192 325272374 /nfs/dbraw/zinc/27/23/74/325272374.db2.gz BPUHZAXLGCAWOW-UHFFFAOYSA-N 0 0 230.311 3.813 20 0 BHADRN Cc1cccc(-c2noc([C@@H]3CC=CCC3)n2)c1 ZINC000546231585 325272666 /nfs/dbraw/zinc/27/26/66/325272666.db2.gz XIGWLISTFDWVKB-GFCCVEGCSA-N 0 0 240.306 3.869 20 0 BHADRN Cc1cccc(-c2noc([C@H]3CC=CCC3)n2)c1 ZINC000546231586 325272610 /nfs/dbraw/zinc/27/26/10/325272610.db2.gz XIGWLISTFDWVKB-LBPRGKRZSA-N 0 0 240.306 3.869 20 0 BHADRN CCc1noc([C@H](C)CCCc2ccccc2)n1 ZINC000546232547 325273180 /nfs/dbraw/zinc/27/31/80/325273180.db2.gz DEIDZXBGNBKBQX-GFCCVEGCSA-N 0 0 244.338 3.758 20 0 BHADRN CCc1noc([C@@H](C)CCCc2ccccc2)n1 ZINC000546232549 325273539 /nfs/dbraw/zinc/27/35/39/325273539.db2.gz DEIDZXBGNBKBQX-LBPRGKRZSA-N 0 0 244.338 3.758 20 0 BHADRN Cc1cccc(-c2noc(/C=C/C3CCC3)n2)c1 ZINC000546232615 325273048 /nfs/dbraw/zinc/27/30/48/325273048.db2.gz APWUUVHIEYMYQA-CMDGGOBGSA-N 0 0 240.306 3.858 20 0 BHADRN Cc1cccc(-c2noc(/C=C\C3CCC3)n2)c1 ZINC000546232616 325273603 /nfs/dbraw/zinc/27/36/03/325273603.db2.gz APWUUVHIEYMYQA-HJWRWDBZSA-N 0 0 240.306 3.858 20 0 BHADRN Cc1cccc(-c2noc(CCC3CCC3)n2)c1 ZINC000546233282 325273295 /nfs/dbraw/zinc/27/32/95/325273295.db2.gz DCSNXRJLAUXYSY-UHFFFAOYSA-N 0 0 242.322 3.778 20 0 BHADRN Cc1cccc(-c2noc(C3(C)CCCC3)n2)c1 ZINC000546233514 325273635 /nfs/dbraw/zinc/27/36/35/325273635.db2.gz RCRDYQDZSHXREI-UHFFFAOYSA-N 0 0 242.322 3.877 20 0 BHADRN Fc1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000546233734 325273065 /nfs/dbraw/zinc/27/30/65/325273065.db2.gz GDXBQNIWOCDNMV-UHFFFAOYSA-N 0 0 232.258 3.533 20 0 BHADRN CC(C)(C)CCc1nc(-c2ccc(F)cc2)no1 ZINC000546234554 325273638 /nfs/dbraw/zinc/27/36/38/325273638.db2.gz OIEXAQIPITWGJV-UHFFFAOYSA-N 0 0 248.301 3.854 20 0 BHADRN CC1(c2nc(-c3ccc(F)cc3)no2)CCCC1 ZINC000546236057 325273219 /nfs/dbraw/zinc/27/32/19/325273219.db2.gz VATJHPQBIFTHPN-UHFFFAOYSA-N 0 0 246.285 3.707 20 0 BHADRN Fc1ccc(-c2noc(CCC3CCC3)n2)cc1 ZINC000546236317 325273654 /nfs/dbraw/zinc/27/36/54/325273654.db2.gz QSHBKBSDXWYNNM-UHFFFAOYSA-N 0 0 246.285 3.608 20 0 BHADRN CCC(C)(C)c1nc(-c2ccc(F)cc2)no1 ZINC000546239707 325273315 /nfs/dbraw/zinc/27/33/15/325273315.db2.gz BKBNRNMXYONDJS-UHFFFAOYSA-N 0 0 234.274 3.563 20 0 BHADRN Fc1cccc(-c2noc(CC3CCCC3)n2)c1 ZINC000546248528 325274690 /nfs/dbraw/zinc/27/46/90/325274690.db2.gz FTWDTEVDQFYCGY-UHFFFAOYSA-N 0 0 246.285 3.608 20 0 BHADRN CC/C=C(\C)c1nc(-c2ccc(F)cc2)no1 ZINC000546248968 325274302 /nfs/dbraw/zinc/27/43/02/325274302.db2.gz BATYDDJVUDREJS-RUDMXATFSA-N 0 0 232.258 3.689 20 0 BHADRN CC/C=C(/C)c1nc(-c2ccc(F)cc2)no1 ZINC000546248969 325274585 /nfs/dbraw/zinc/27/45/85/325274585.db2.gz BATYDDJVUDREJS-WTKPLQERSA-N 0 0 232.258 3.689 20 0 BHADRN CCc1ccc(-c2noc(C3(CC)CC3)n2)cc1 ZINC000546248992 325274521 /nfs/dbraw/zinc/27/45/21/325274521.db2.gz CYQFVYZHWZKHAA-UHFFFAOYSA-N 0 0 242.322 3.741 20 0 BHADRN Cc1cc(C)cc(-c2nc(CC(C)C)no2)c1 ZINC000546251657 325274619 /nfs/dbraw/zinc/27/46/19/325274619.db2.gz HTMLVDAEHWFMQV-UHFFFAOYSA-N 0 0 230.311 3.552 20 0 BHADRN CC(C)Cc1noc(-c2cccc(Cl)c2)n1 ZINC000546251936 325274675 /nfs/dbraw/zinc/27/46/75/325274675.db2.gz DSAOLDAZEKLPFX-UHFFFAOYSA-N 0 0 236.702 3.589 20 0 BHADRN Cc1ccc(/C=C/c2nc(CC(C)C)no2)cc1 ZINC000546252286 325274334 /nfs/dbraw/zinc/27/43/34/325274334.db2.gz RWSQKYADALSLJU-CMDGGOBGSA-N 0 0 242.322 3.747 20 0 BHADRN Cc1ccc(/C=C\c2nc(CC(C)C)no2)cc1 ZINC000546252287 325274502 /nfs/dbraw/zinc/27/45/02/325274502.db2.gz RWSQKYADALSLJU-HJWRWDBZSA-N 0 0 242.322 3.747 20 0 BHADRN Cc1ccc(C)c(-c2nc(CC(C)C)no2)c1 ZINC000546252717 325274476 /nfs/dbraw/zinc/27/44/76/325274476.db2.gz ZFTMQYDKCAFMAD-UHFFFAOYSA-N 0 0 230.311 3.552 20 0 BHADRN CCc1ccsc1-c1nc(CC(C)C)no1 ZINC000546253291 325274727 /nfs/dbraw/zinc/27/47/27/325274727.db2.gz AMBUUHFBCCKCNR-UHFFFAOYSA-N 0 0 236.340 3.559 20 0 BHADRN CCCCCc1nc(Cc2cccc(F)c2)no1 ZINC000546253409 325274681 /nfs/dbraw/zinc/27/46/81/325274681.db2.gz QXKVYNMDPIQFNW-UHFFFAOYSA-N 0 0 248.301 3.532 20 0 BHADRN C/C(=C\c1nc(CC(C)C)no1)c1ccccc1 ZINC000546254369 325274597 /nfs/dbraw/zinc/27/45/97/325274597.db2.gz YBUZPKLSNFQZEA-ZRDIBKRKSA-N 0 0 242.322 3.829 20 0 BHADRN CCC(CC)c1nc(Cc2cccc(F)c2)no1 ZINC000546254995 325274724 /nfs/dbraw/zinc/27/47/24/325274724.db2.gz PJECYTODCLIOEF-UHFFFAOYSA-N 0 0 248.301 3.703 20 0 BHADRN Cc1ccc(-c2nc(CC(C)C)no2)cc1C ZINC000546255214 325274687 /nfs/dbraw/zinc/27/46/87/325274687.db2.gz XESSPBSVLFZMMM-UHFFFAOYSA-N 0 0 230.311 3.552 20 0 BHADRN CCC1(CN(C)c2cccc(C)c2)CCOCC1 ZINC000546256114 325274426 /nfs/dbraw/zinc/27/44/26/325274426.db2.gz ZEEBBXUYINQWNN-UHFFFAOYSA-N 0 0 247.382 3.638 20 0 BHADRN CC(C)c1cccc(N(C)Cc2cc[nH]c2)c1 ZINC000546256667 325274540 /nfs/dbraw/zinc/27/45/40/325274540.db2.gz UXYQXUGDHXZGFN-UHFFFAOYSA-N 0 0 228.339 3.775 20 0 BHADRN CC[C@@]1(C)C[C@@H]1c1nc(-c2ccccc2C)no1 ZINC000546257741 325274652 /nfs/dbraw/zinc/27/46/52/325274652.db2.gz HLAFEYSHZCNWTG-DOMZBBRYSA-N 0 0 242.322 3.949 20 0 BHADRN CC[C@]1(C)C[C@@H]1c1nc(-c2ccccc2C)no1 ZINC000546257744 325274364 /nfs/dbraw/zinc/27/43/64/325274364.db2.gz HLAFEYSHZCNWTG-IUODEOHRSA-N 0 0 242.322 3.949 20 0 BHADRN CC[C@]1(C)C[C@H]1c1nc(-c2ccccc2C)no1 ZINC000546257746 325274368 /nfs/dbraw/zinc/27/43/68/325274368.db2.gz HLAFEYSHZCNWTG-SWLSCSKDSA-N 0 0 242.322 3.949 20 0 BHADRN CC[C@@]1(C)C[C@H]1c1nc(-c2ccccc2C)no1 ZINC000546257748 325274320 /nfs/dbraw/zinc/27/43/20/325274320.db2.gz HLAFEYSHZCNWTG-WFASDCNBSA-N 0 0 242.322 3.949 20 0 BHADRN CC/C=C(/C)c1nc(Cc2ccccc2F)no1 ZINC000546259007 325275364 /nfs/dbraw/zinc/27/53/64/325275364.db2.gz LJZBZFLKULKWIQ-POHAHGRESA-N 0 0 246.285 3.613 20 0 BHADRN CC/C=C(\C)c1nc(Cc2ccccc2F)no1 ZINC000546259008 325275354 /nfs/dbraw/zinc/27/53/54/325275354.db2.gz LJZBZFLKULKWIQ-UXBLZVDNSA-N 0 0 246.285 3.613 20 0 BHADRN CCC1(c2nc(-c3ccccc3C)no2)CCC1 ZINC000546259728 325275321 /nfs/dbraw/zinc/27/53/21/325275321.db2.gz HBAURQISXGLCGL-UHFFFAOYSA-N 0 0 242.322 3.877 20 0 BHADRN Cc1ccccc1-c1noc([C@H]2CCC[C@@H]2C)n1 ZINC000546259758 325275201 /nfs/dbraw/zinc/27/52/01/325275201.db2.gz JNLCCKXXFOZWIP-AAEUAGOBSA-N 0 0 242.322 3.949 20 0 BHADRN Cc1ccccc1-c1noc([C@@H]2CCC[C@H]2C)n1 ZINC000546259759 325275345 /nfs/dbraw/zinc/27/53/45/325275345.db2.gz JNLCCKXXFOZWIP-DGCLKSJQSA-N 0 0 242.322 3.949 20 0 BHADRN Cc1ccccc1-c1noc([C@@H]2CCC[C@@H]2C)n1 ZINC000546259760 325275112 /nfs/dbraw/zinc/27/51/12/325275112.db2.gz JNLCCKXXFOZWIP-WCQYABFASA-N 0 0 242.322 3.949 20 0 BHADRN Cc1ccccc1-c1noc([C@H]2CCC[C@H]2C)n1 ZINC000546259761 325275229 /nfs/dbraw/zinc/27/52/29/325275229.db2.gz JNLCCKXXFOZWIP-YPMHNXCESA-N 0 0 242.322 3.949 20 0 BHADRN Cc1ccccc1-c1noc(/C=C\C2CCC2)n1 ZINC000546260000 325275295 /nfs/dbraw/zinc/27/52/95/325275295.db2.gz VJHVYDLCGYABHB-KTKRTIGZSA-N 0 0 240.306 3.858 20 0 BHADRN Cc1ccccc1-c1noc(/C=C/C2CCC2)n1 ZINC000546260001 325275059 /nfs/dbraw/zinc/27/50/59/325275059.db2.gz VJHVYDLCGYABHB-MDZDMXLPSA-N 0 0 240.306 3.858 20 0 BHADRN CCC(C)(C)c1nc(-c2ccccc2C)no1 ZINC000546260557 325275007 /nfs/dbraw/zinc/27/50/07/325275007.db2.gz QEFZCTBTVUKSNH-UHFFFAOYSA-N 0 0 230.311 3.733 20 0 BHADRN Cc1ccccc1-c1noc(CCC2CCC2)n1 ZINC000546261141 325275379 /nfs/dbraw/zinc/27/53/79/325275379.db2.gz CKENJPCMXDONNK-UHFFFAOYSA-N 0 0 242.322 3.778 20 0 BHADRN Cc1ccccc1-c1noc(C2(C)CCCC2)n1 ZINC000546261181 325275070 /nfs/dbraw/zinc/27/50/70/325275070.db2.gz GRAWEVSWPSHKTJ-UHFFFAOYSA-N 0 0 242.322 3.877 20 0 BHADRN CC(C)c1noc(C2CCCCCC2)n1 ZINC000546261579 325271913 /nfs/dbraw/zinc/27/19/13/325271913.db2.gz ALHPYMSDSVPGSD-UHFFFAOYSA-N 0 0 208.305 3.631 20 0 BHADRN CC(C)c1noc(-c2ccc(C(C)C)cc2)n1 ZINC000546261693 325275335 /nfs/dbraw/zinc/27/53/35/325275335.db2.gz GJEDJZFRCJBUCX-UHFFFAOYSA-N 0 0 230.311 3.983 20 0 BHADRN CC(C)c1noc(-c2cc3c(s2)CCCC3)n1 ZINC000546262200 325275285 /nfs/dbraw/zinc/27/52/85/325275285.db2.gz TXMZTDTZJCUPJI-UHFFFAOYSA-N 0 0 248.351 3.800 20 0 BHADRN CC(C)c1noc(CCCC2CCCC2)n1 ZINC000546262575 325274964 /nfs/dbraw/zinc/27/49/64/325274964.db2.gz PERDYCHEPLAHRY-UHFFFAOYSA-N 0 0 222.332 3.706 20 0 BHADRN Cc1ccc2[nH]c(-c3nc(C(C)C)no3)cc2c1 ZINC000546266609 325275863 /nfs/dbraw/zinc/27/58/63/325275863.db2.gz GPUHLFCYDJXTKA-UHFFFAOYSA-N 0 0 241.294 3.650 20 0 BHADRN CC(C)c1noc(C[C@H]2CCCC[C@H]2C)n1 ZINC000546268047 325275776 /nfs/dbraw/zinc/27/57/76/325275776.db2.gz LCWQRNJZAKBXLQ-GHMZBOCLSA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)c1noc(C[C@@H]2CCCC[C@H]2C)n1 ZINC000546268048 325275826 /nfs/dbraw/zinc/27/58/26/325275826.db2.gz LCWQRNJZAKBXLQ-MNOVXSKESA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)c1noc(C[C@@H]2CCCC[C@@H]2C)n1 ZINC000546268049 325275991 /nfs/dbraw/zinc/27/59/91/325275991.db2.gz LCWQRNJZAKBXLQ-QWRGUYRKSA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)c1noc(C[C@H]2CCCC[C@@H]2C)n1 ZINC000546268050 325275796 /nfs/dbraw/zinc/27/57/96/325275796.db2.gz LCWQRNJZAKBXLQ-WDEREUQCSA-N 0 0 222.332 3.562 20 0 BHADRN CCSc1cccc(-c2nc(C(C)C)no2)c1 ZINC000546268131 325275823 /nfs/dbraw/zinc/27/58/23/325275823.db2.gz XHHCCPRDBGTRIH-UHFFFAOYSA-N 0 0 248.351 3.972 20 0 BHADRN CC(C)c1noc([C@H]2CCCC(C)(C)C2)n1 ZINC000546268288 325275979 /nfs/dbraw/zinc/27/59/79/325275979.db2.gz SUMSAMOJPGERDL-JTQLQIEISA-N 0 0 222.332 3.877 20 0 BHADRN CC(C)c1noc([C@@H]2CCCC(C)(C)C2)n1 ZINC000546268289 325275671 /nfs/dbraw/zinc/27/56/71/325275671.db2.gz SUMSAMOJPGERDL-SNVBAGLBSA-N 0 0 222.332 3.877 20 0 BHADRN C/C(=C\c1nc(C(C)C)no1)c1ccccc1 ZINC000546268325 325275802 /nfs/dbraw/zinc/27/58/02/325275802.db2.gz VNBAHBBROYTJNN-PKNBQFBNSA-N 0 0 228.295 3.754 20 0 BHADRN CC(C)Oc1ccc(-c2noc(C(C)C)n2)cc1 ZINC000546283360 325276271 /nfs/dbraw/zinc/27/62/71/325276271.db2.gz YZEUOXCZZOASNB-UHFFFAOYSA-N 0 0 246.310 3.647 20 0 BHADRN CC[C@@H](C)c1noc(-c2ccc(C3CC3)cn2)n1 ZINC000546285698 325276492 /nfs/dbraw/zinc/27/64/92/325276492.db2.gz QPFZPZCMROVFGQ-SECBINFHSA-N 0 0 243.310 3.523 20 0 BHADRN CC[C@H](C)c1noc(-c2ccc(C3CC3)cn2)n1 ZINC000546285701 325276446 /nfs/dbraw/zinc/27/64/46/325276446.db2.gz QPFZPZCMROVFGQ-VIFPVBQESA-N 0 0 243.310 3.523 20 0 BHADRN 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CCCC1(c2nc(-c3ccccc3F)no2)CC1 ZINC000546299424 325276811 /nfs/dbraw/zinc/27/68/11/325276811.db2.gz PQHXLXUSUVMWCX-UHFFFAOYSA-N 0 0 246.285 3.707 20 0 BHADRN Fc1ccccc1-c1noc(CC2CCCC2)n1 ZINC000546299458 325277173 /nfs/dbraw/zinc/27/71/73/325277173.db2.gz RCFALDSSXZTQSI-UHFFFAOYSA-N 0 0 246.285 3.608 20 0 BHADRN CC1=C(c2nc(-c3ccccc3F)no2)CCC1 ZINC000546303661 325277201 /nfs/dbraw/zinc/27/72/01/325277201.db2.gz SHBABQVGDZBHDQ-UHFFFAOYSA-N 0 0 244.269 3.833 20 0 BHADRN CC(C)=Cc1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000546313075 325277780 /nfs/dbraw/zinc/27/77/80/325277780.db2.gz VUKWWIJERPHKJV-UHFFFAOYSA-N 0 0 239.278 3.641 20 0 BHADRN CCC(=Cc1nc(-c2cncc(C)c2)no1)CC ZINC000546314053 325277642 /nfs/dbraw/zinc/27/76/42/325277642.db2.gz HLWSLQHXBCMOFY-UHFFFAOYSA-N 0 0 243.310 3.643 20 0 BHADRN CC/C=C(/C)c1nc(Cc2cccc(C)c2)no1 ZINC000546314182 325277773 /nfs/dbraw/zinc/27/77/73/325277773.db2.gz VEIUNNJRRATKHB-SDQBBNPISA-N 0 0 242.322 3.782 20 0 BHADRN CC/C=C(\C)c1nc(Cc2cccc(C)c2)no1 ZINC000546314183 325277490 /nfs/dbraw/zinc/27/74/90/325277490.db2.gz VEIUNNJRRATKHB-WUXMJOGZSA-N 0 0 242.322 3.782 20 0 BHADRN C[C@@H](Cc1nc(C2CC2)no1)C1CCCCC1 ZINC000546315408 325277729 /nfs/dbraw/zinc/27/77/29/325277729.db2.gz DJYXMIIAIOJYCY-JTQLQIEISA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H](Cc1nc(C2CC2)no1)C1CCCCC1 ZINC000546315409 325277684 /nfs/dbraw/zinc/27/76/84/325277684.db2.gz DJYXMIIAIOJYCY-SNVBAGLBSA-N 0 0 234.343 3.706 20 0 BHADRN CCCCc1nc(Cc2cc(C)ccc2C)no1 ZINC000546316428 325277591 /nfs/dbraw/zinc/27/75/91/325277591.db2.gz RQYMPKVLIKOPNN-UHFFFAOYSA-N 0 0 244.338 3.620 20 0 BHADRN Cc1cc(C)cc(/C=C\c2nc(C3CC3)no2)c1 ZINC000546318752 325277584 /nfs/dbraw/zinc/27/75/84/325277584.db2.gz ZOIJNJFMNNHRGV-UTCJRWHESA-N 0 0 240.306 3.734 20 0 BHADRN CCc1ccccc1-c1noc(C2(CC)CC2)n1 ZINC000546319265 325277509 /nfs/dbraw/zinc/27/75/09/325277509.db2.gz QOSSCTPDANLDPD-UHFFFAOYSA-N 0 0 242.322 3.741 20 0 BHADRN CCc1ccccc1-c1noc(C(C)(C)C)n1 ZINC000546319876 325277650 /nfs/dbraw/zinc/27/76/50/325277650.db2.gz 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Cc1cc(C)cc(-c2noc(C3CC(C)C3)n2)c1 ZINC000546404374 325279492 /nfs/dbraw/zinc/27/94/92/325279492.db2.gz XZUAYCZQLZFDJU-UHFFFAOYSA-N 0 0 242.322 3.867 20 0 BHADRN CC(C)CCc1noc(CCC(C)(C)C)n1 ZINC000546405278 325279733 /nfs/dbraw/zinc/27/97/33/325279733.db2.gz PABWUCUIKHNXJG-UHFFFAOYSA-N 0 0 224.348 3.637 20 0 BHADRN CCC(CC)c1nc(CCC(C)C)no1 ZINC000546407590 325279722 /nfs/dbraw/zinc/27/97/22/325279722.db2.gz IQSRGHHGKOYGQD-UHFFFAOYSA-N 0 0 210.321 3.562 20 0 BHADRN C/C=C/C=C\c1nc(-c2cc(F)ccc2C)no1 ZINC000546408945 325279842 /nfs/dbraw/zinc/27/98/42/325279842.db2.gz DMZVVEHEVHPSDK-ICWBMWKASA-N 0 0 244.269 3.773 20 0 BHADRN C/C=C/C=C/c1nc(-c2cc(F)ccc2C)no1 ZINC000546408946 325279537 /nfs/dbraw/zinc/27/95/37/325279537.db2.gz DMZVVEHEVHPSDK-VNKDHWASSA-N 0 0 244.269 3.773 20 0 BHADRN CC(C)CCc1noc([C@H](C)C(C)(C)C)n1 ZINC000546409509 325280543 /nfs/dbraw/zinc/28/05/43/325280543.db2.gz ORBRIIZIQSYYGE-JTQLQIEISA-N 0 0 224.348 3.808 20 0 BHADRN CC(C)CCc1noc([C@@H](C)C(C)(C)C)n1 ZINC000546409510 325280272 /nfs/dbraw/zinc/28/02/72/325280272.db2.gz ORBRIIZIQSYYGE-SNVBAGLBSA-N 0 0 224.348 3.808 20 0 BHADRN CC(C)CCc1noc([C@@H](C)c2ccccc2)n1 ZINC000546410446 325280480 /nfs/dbraw/zinc/28/04/80/325280480.db2.gz CPBDUKRZWZQQPP-LBPRGKRZSA-N 0 0 244.338 3.810 20 0 BHADRN Cc1cc(F)ccc1-c1nc(CCC(C)C)no1 ZINC000546411260 325280259 /nfs/dbraw/zinc/28/02/59/325280259.db2.gz SHDBHJAJESUSTJ-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN Cc1ccccc1Cc1nc(CCC(C)C)no1 ZINC000546412649 325280294 /nfs/dbraw/zinc/28/02/94/325280294.db2.gz ZQONBBNLVGXYJA-UHFFFAOYSA-N 0 0 244.338 3.557 20 0 BHADRN Cc1ccc(F)cc1-c1noc(CCC(C)C)n1 ZINC000546413010 325280528 /nfs/dbraw/zinc/28/05/28/325280528.db2.gz LJMGAVQHISPAQQ-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN CC[C@@H](C)c1nc(-c2cc(F)ccc2C)no1 ZINC000546413209 325280490 /nfs/dbraw/zinc/28/04/90/325280490.db2.gz SUUURGBJILXLEG-MRVPVSSYSA-N 0 0 234.274 3.698 20 0 BHADRN CC[C@H](C)c1nc(-c2cc(F)ccc2C)no1 ZINC000546413410 325280465 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/nfs/dbraw/zinc/28/05/32/325280532.db2.gz JCQCBZICAYQDGJ-DVVUODLYSA-N 0 0 234.343 3.733 20 0 BHADRN C[C@H](c1noc([C@@H]2C[C@@H]2C2CC2)n1)C(C)(C)C ZINC000546424616 325280518 /nfs/dbraw/zinc/28/05/18/325280518.db2.gz JCQCBZICAYQDGJ-FBIMIBRVSA-N 0 0 234.343 3.733 20 0 BHADRN C[C@H](c1noc([C@H]2C[C@@H]2C2CC2)n1)C(C)(C)C ZINC000546424617 325280560 /nfs/dbraw/zinc/28/05/60/325280560.db2.gz JCQCBZICAYQDGJ-IEBDPFPHSA-N 0 0 234.343 3.733 20 0 BHADRN C[C@H](c1noc([C@H]2C[C@H]2C2CC2)n1)C(C)(C)C ZINC000546424619 325279718 /nfs/dbraw/zinc/27/97/18/325279718.db2.gz JCQCBZICAYQDGJ-MIMYLULJSA-N 0 0 234.343 3.733 20 0 BHADRN CCSCc1noc(C[C@H](CC)C(C)C)n1 ZINC000546429467 325280548 /nfs/dbraw/zinc/28/05/48/325280548.db2.gz UXTKXAKFGDHQEJ-JTQLQIEISA-N 0 0 242.388 3.547 20 0 BHADRN CCSCc1noc(C[C@@H](CC)C(C)C)n1 ZINC000546429468 325280325 /nfs/dbraw/zinc/28/03/25/325280325.db2.gz UXTKXAKFGDHQEJ-SNVBAGLBSA-N 0 0 242.388 3.547 20 0 BHADRN C[C@H](c1noc(-c2ccsc2)n1)C(C)(C)C ZINC000546429851 325279548 /nfs/dbraw/zinc/27/95/48/325279548.db2.gz PMSPJVGNWCELME-MRVPVSSYSA-N 0 0 236.340 3.948 20 0 BHADRN C[C@@H](c1noc(-c2ccsc2)n1)C(C)(C)C ZINC000546429852 325279727 /nfs/dbraw/zinc/27/97/27/325279727.db2.gz PMSPJVGNWCELME-QMMMGPOBSA-N 0 0 236.340 3.948 20 0 BHADRN C[C@@H](c1noc(CC2CCCC2)n1)C(C)(C)C ZINC000546444321 325280908 /nfs/dbraw/zinc/28/09/08/325280908.db2.gz XPTSCGWZPJRWJY-JTQLQIEISA-N 0 0 236.359 3.952 20 0 BHADRN C[C@H](c1noc(CC2CCCC2)n1)C(C)(C)C ZINC000546444322 325280938 /nfs/dbraw/zinc/28/09/38/325280938.db2.gz XPTSCGWZPJRWJY-SNVBAGLBSA-N 0 0 236.359 3.952 20 0 BHADRN CCC[C@H](C)c1nc(-c2cc(C)cc(C)n2)no1 ZINC000546457844 325281832 /nfs/dbraw/zinc/28/18/32/325281832.db2.gz WMSVCPMAQCUAIX-JTQLQIEISA-N 0 0 245.326 3.652 20 0 BHADRN CCC[C@@H](C)c1nc(-c2cc(C)cc(C)n2)no1 ZINC000546457845 325281488 /nfs/dbraw/zinc/28/14/88/325281488.db2.gz WMSVCPMAQCUAIX-SNVBAGLBSA-N 0 0 245.326 3.652 20 0 BHADRN CCCCc1nc(C[C@@H](C)c2ccccc2)no1 ZINC000546464461 325282294 /nfs/dbraw/zinc/28/22/94/325282294.db2.gz QQMBXMJVEYTBSJ-GFCCVEGCSA-N 0 0 244.338 3.758 20 0 BHADRN CCCCc1nc(C[C@H](C)c2ccccc2)no1 ZINC000546464462 325282238 /nfs/dbraw/zinc/28/22/38/325282238.db2.gz QQMBXMJVEYTBSJ-LBPRGKRZSA-N 0 0 244.338 3.758 20 0 BHADRN CC[C@@H](C)c1nc(C[C@H](C)c2ccccc2)no1 ZINC000546467555 325282330 /nfs/dbraw/zinc/28/23/30/325282330.db2.gz GZECZEGJDREODG-NEPJUHHUSA-N 0 0 244.338 3.929 20 0 BHADRN CC[C@H](C)c1nc(C[C@@H](C)c2ccccc2)no1 ZINC000546467556 325282147 /nfs/dbraw/zinc/28/21/47/325282147.db2.gz GZECZEGJDREODG-NWDGAFQWSA-N 0 0 244.338 3.929 20 0 BHADRN CC[C@H](C)c1nc(C[C@H](C)c2ccccc2)no1 ZINC000546467557 325282174 /nfs/dbraw/zinc/28/21/74/325282174.db2.gz GZECZEGJDREODG-RYUDHWBXSA-N 0 0 244.338 3.929 20 0 BHADRN CC[C@@H](C)c1nc(C[C@@H](C)c2ccccc2)no1 ZINC000546467558 325282196 /nfs/dbraw/zinc/28/21/96/325282196.db2.gz GZECZEGJDREODG-VXGBXAGGSA-N 0 0 244.338 3.929 20 0 BHADRN CCS[C@H](c1nc([C@@H]2C[C@@H]2C)no1)C(C)C ZINC000546474605 325282211 /nfs/dbraw/zinc/28/22/11/325282211.db2.gz BOMFYYATSQUNKH-AEJSXWLSSA-N 0 0 240.372 3.643 20 0 BHADRN CCS[C@H](c1nc([C@@H]2C[C@H]2C)no1)C(C)C ZINC000546474606 325282260 /nfs/dbraw/zinc/28/22/60/325282260.db2.gz BOMFYYATSQUNKH-BBBLOLIVSA-N 0 0 240.372 3.643 20 0 BHADRN CCS[C@H](c1nc([C@H]2C[C@@H]2C)no1)C(C)C ZINC000546474607 325282248 /nfs/dbraw/zinc/28/22/48/325282248.db2.gz BOMFYYATSQUNKH-GUBZILKMSA-N 0 0 240.372 3.643 20 0 BHADRN CCS[C@H](c1nc([C@H]2C[C@H]2C)no1)C(C)C ZINC000546474608 325282314 /nfs/dbraw/zinc/28/23/14/325282314.db2.gz BOMFYYATSQUNKH-UTLUCORTSA-N 0 0 240.372 3.643 20 0 BHADRN CCc1cc(-c2nc([C@@H]3C[C@H]3C)no2)oc1CC ZINC000546475132 325282635 /nfs/dbraw/zinc/28/26/35/325282635.db2.gz RKUKZWFFGJIZAC-PSASIEDQSA-N 0 0 246.310 3.578 20 0 BHADRN CCc1cc(-c2nc([C@H]3C[C@H]3C)no2)oc1CC ZINC000546475133 325282310 /nfs/dbraw/zinc/28/23/10/325282310.db2.gz RKUKZWFFGJIZAC-SCZZXKLOSA-N 0 0 246.310 3.578 20 0 BHADRN CCc1cc(-c2nc([C@@H]3C[C@@H]3C)no2)oc1CC ZINC000546475134 325282472 /nfs/dbraw/zinc/28/24/72/325282472.db2.gz RKUKZWFFGJIZAC-WCBMZHEXSA-N 0 0 246.310 3.578 20 0 BHADRN CCc1cc(-c2nc([C@H]3C[C@@H]3C)no2)oc1CC ZINC000546475135 325282044 /nfs/dbraw/zinc/28/20/44/325282044.db2.gz RKUKZWFFGJIZAC-WPRPVWTQSA-N 0 0 246.310 3.578 20 0 BHADRN C[C@H]1C[C@H]1c1noc(C2CCC(C)(C)CC2)n1 ZINC000546475217 325282586 /nfs/dbraw/zinc/28/25/86/325282586.db2.gz FBYOFMQOSYYGRP-GXSJLCMTSA-N 0 0 234.343 3.877 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(C2CCC(C)(C)CC2)n1 ZINC000546475218 325282960 /nfs/dbraw/zinc/28/29/60/325282960.db2.gz FBYOFMQOSYYGRP-KOLCDFICSA-N 0 0 234.343 3.877 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(C2CCC(C)(C)CC2)n1 ZINC000546475219 325282994 /nfs/dbraw/zinc/28/29/94/325282994.db2.gz FBYOFMQOSYYGRP-MWLCHTKSSA-N 0 0 234.343 3.877 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(C2CCC(C)(C)CC2)n1 ZINC000546475220 325282745 /nfs/dbraw/zinc/28/27/45/325282745.db2.gz FBYOFMQOSYYGRP-ONGXEEELSA-N 0 0 234.343 3.877 20 0 BHADRN Cc1ccc(Cl)cc1-c1nc([C@@H]2C[C@H]2C)no1 ZINC000546475284 325282668 /nfs/dbraw/zinc/28/26/68/325282668.db2.gz TXYXICUMBZZZCA-PSASIEDQSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1ccc(Cl)cc1-c1nc([C@H]2C[C@H]2C)no1 ZINC000546475285 325282590 /nfs/dbraw/zinc/28/25/90/325282590.db2.gz TXYXICUMBZZZCA-SCZZXKLOSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1ccc(Cl)cc1-c1nc([C@@H]2C[C@@H]2C)no1 ZINC000546475287 325282947 /nfs/dbraw/zinc/28/29/47/325282947.db2.gz TXYXICUMBZZZCA-WCBMZHEXSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1ccc(Cl)cc1-c1nc([C@H]2C[C@@H]2C)no1 ZINC000546475289 325282612 /nfs/dbraw/zinc/28/26/12/325282612.db2.gz TXYXICUMBZZZCA-WPRPVWTQSA-N 0 0 248.713 3.822 20 0 BHADRN C[C@H]1C[C@H]1c1noc(CCC2CCCCC2)n1 ZINC000546475509 325282687 /nfs/dbraw/zinc/28/26/87/325282687.db2.gz JODJKMKHUBUVQH-CMPLNLGQSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(CCC2CCCCC2)n1 ZINC000546475511 325282627 /nfs/dbraw/zinc/28/26/27/325282627.db2.gz JODJKMKHUBUVQH-JQWIXIFHSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(CCC2CCCCC2)n1 ZINC000546475512 325282833 /nfs/dbraw/zinc/28/28/33/325282833.db2.gz JODJKMKHUBUVQH-PWSUYJOCSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(CCC2CCCCC2)n1 ZINC000546475513 325282987 /nfs/dbraw/zinc/28/29/87/325282987.db2.gz JODJKMKHUBUVQH-ZYHUDNBSSA-N 0 0 234.343 3.706 20 0 BHADRN Cc1ccc(/C=C\c2nc([C@@H]3C[C@H]3C)no2)cc1 ZINC000546476177 325282942 /nfs/dbraw/zinc/28/29/42/325282942.db2.gz VXAYZRYSIMKBHP-FZJVHEGESA-N 0 0 240.306 3.672 20 0 BHADRN Cc1ccc(/C=C/c2nc([C@@H]3C[C@@H]3C)no2)cc1 ZINC000546476178 325282816 /nfs/dbraw/zinc/28/28/16/325282816.db2.gz VXAYZRYSIMKBHP-GPTOWFIXSA-N 0 0 240.306 3.672 20 0 BHADRN Cc1ccc(/C=C/c2nc([C@@H]3C[C@H]3C)no2)cc1 ZINC000546476179 325282975 /nfs/dbraw/zinc/28/29/75/325282975.db2.gz VXAYZRYSIMKBHP-KPYDUXRZSA-N 0 0 240.306 3.672 20 0 BHADRN Cc1ccc(/C=C\c2nc([C@@H]3C[C@@H]3C)no2)cc1 ZINC000546476180 325282631 /nfs/dbraw/zinc/28/26/31/325282631.db2.gz VXAYZRYSIMKBHP-ZFVKQSTNSA-N 0 0 240.306 3.672 20 0 BHADRN CC(C)c1ccc(-c2nc([C@H]3C[C@@H]3C)no2)cc1 ZINC000546476752 325282653 /nfs/dbraw/zinc/28/26/53/325282653.db2.gz AZVOQVGYIBCBNL-GWCFXTLKSA-N 0 0 242.322 3.983 20 0 BHADRN CC(C)c1ccc(-c2nc([C@@H]3C[C@@H]3C)no2)cc1 ZINC000546476754 325282698 /nfs/dbraw/zinc/28/26/98/325282698.db2.gz AZVOQVGYIBCBNL-GXFFZTMASA-N 0 0 242.322 3.983 20 0 BHADRN CC(C)c1ccc(-c2nc([C@H]3C[C@H]3C)no2)cc1 ZINC000546476755 325282909 /nfs/dbraw/zinc/28/29/09/325282909.db2.gz AZVOQVGYIBCBNL-MFKMUULPSA-N 0 0 242.322 3.983 20 0 BHADRN CC(C)c1ccc(-c2nc([C@@H]3C[C@H]3C)no2)cc1 ZINC000546476757 325282847 /nfs/dbraw/zinc/28/28/47/325282847.db2.gz AZVOQVGYIBCBNL-ZWNOBZJWSA-N 0 0 242.322 3.983 20 0 BHADRN Cc1cc(Cl)ccc1-c1nc([C@@H]2C[C@@H]2C)no1 ZINC000546477098 325283359 /nfs/dbraw/zinc/28/33/59/325283359.db2.gz ACVRQXAWXUDMEG-GZMMTYOYSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1cc(Cl)ccc1-c1nc([C@H]2C[C@H]2C)no1 ZINC000546477099 325283318 /nfs/dbraw/zinc/28/33/18/325283318.db2.gz ACVRQXAWXUDMEG-KCJUWKMLSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1cc(Cl)ccc1-c1nc([C@H]2C[C@@H]2C)no1 ZINC000546477100 325283475 /nfs/dbraw/zinc/28/34/75/325283475.db2.gz ACVRQXAWXUDMEG-KWQFWETISA-N 0 0 248.713 3.822 20 0 BHADRN Cc1cc(Cl)ccc1-c1nc([C@@H]2C[C@H]2C)no1 ZINC000546477101 325283479 /nfs/dbraw/zinc/28/34/79/325283479.db2.gz ACVRQXAWXUDMEG-LDYMZIIASA-N 0 0 248.713 3.822 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(-c2ccccc2Cl)n1 ZINC000546478848 325283153 /nfs/dbraw/zinc/28/31/53/325283153.db2.gz MELFXXLBEULZJK-APPZFPTMSA-N 0 0 234.686 3.513 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(-c2ccccc2Cl)n1 ZINC000546478850 325283157 /nfs/dbraw/zinc/28/31/57/325283157.db2.gz MELFXXLBEULZJK-CBAPKCEASA-N 0 0 234.686 3.513 20 0 BHADRN C[C@H]1C[C@H]1c1noc(-c2ccccc2Cl)n1 ZINC000546478852 325283285 /nfs/dbraw/zinc/28/32/85/325283285.db2.gz MELFXXLBEULZJK-IONNQARKSA-N 0 0 234.686 3.513 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(-c2ccccc2Cl)n1 ZINC000546478853 325283374 /nfs/dbraw/zinc/28/33/74/325283374.db2.gz MELFXXLBEULZJK-VXNVDRBHSA-N 0 0 234.686 3.513 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(-c2ccc(Cl)cc2)n1 ZINC000546480320 325283874 /nfs/dbraw/zinc/28/38/74/325283874.db2.gz YTOISPDRNIXOJL-GMSGAONNSA-N 0 0 234.686 3.513 20 0 BHADRN C[C@H]1C[C@H]1c1noc(-c2ccc(Cl)cc2)n1 ZINC000546480322 325283961 /nfs/dbraw/zinc/28/39/61/325283961.db2.gz YTOISPDRNIXOJL-OIBJUYFYSA-N 0 0 234.686 3.513 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(-c2ccc(Cl)cc2)n1 ZINC000546480324 325283815 /nfs/dbraw/zinc/28/38/15/325283815.db2.gz YTOISPDRNIXOJL-XCBNKYQSSA-N 0 0 234.686 3.513 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(-c2ccc(Cl)cc2)n1 ZINC000546480325 325283884 /nfs/dbraw/zinc/28/38/84/325283884.db2.gz YTOISPDRNIXOJL-XVKPBYJWSA-N 0 0 234.686 3.513 20 0 BHADRN Cc1ccc(-c2nc([C@@H]3C[C@H]3C)no2)cc1Cl ZINC000546480667 325283794 /nfs/dbraw/zinc/28/37/94/325283794.db2.gz YDZSOCDPBLOTPN-PSASIEDQSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1ccc(-c2nc([C@H]3C[C@H]3C)no2)cc1Cl ZINC000546480669 325283973 /nfs/dbraw/zinc/28/39/73/325283973.db2.gz YDZSOCDPBLOTPN-SCZZXKLOSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1ccc(-c2nc([C@@H]3C[C@@H]3C)no2)cc1Cl ZINC000546480671 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/nfs/dbraw/zinc/32/64/55/325326455.db2.gz SVJJZUFBBIPNRA-LUAWRHEFSA-N 0 0 242.322 3.829 20 0 BHADRN CC(C)CCc1noc(/C=C/c2ccccc2)n1 ZINC000547120705 325326668 /nfs/dbraw/zinc/32/66/68/325326668.db2.gz SVJJZUFBBIPNRA-PKNBQFBNSA-N 0 0 242.322 3.829 20 0 BHADRN Cc1ccccc1-c1nc(CCC(C)C)no1 ZINC000547120735 325326525 /nfs/dbraw/zinc/32/65/25/325326525.db2.gz VLLXURPHVGGRLG-UHFFFAOYSA-N 0 0 230.311 3.634 20 0 BHADRN Cc1ccc(F)cc1-c1noc(CC(C)(C)C)n1 ZINC000547121132 325326540 /nfs/dbraw/zinc/32/65/40/325326540.db2.gz YPWWYIYUJGJACL-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN CC(C)=C(F)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000547123490 325326707 /nfs/dbraw/zinc/32/67/07/325326707.db2.gz NULRCEFIKHRVJR-MRVPVSSYSA-N 0 0 226.295 3.940 20 0 BHADRN CC(C)=C(F)c1nc([C@H](C)C(C)(C)C)no1 ZINC000547123491 325326625 /nfs/dbraw/zinc/32/66/25/325326625.db2.gz NULRCEFIKHRVJR-QMMMGPOBSA-N 0 0 226.295 3.940 20 0 BHADRN CC(C)=Cc1nc([C@@H](C)C(C)(C)C)no1 ZINC000547127738 325326533 /nfs/dbraw/zinc/32/65/33/325326533.db2.gz MQZMTNJRIHFPRR-SECBINFHSA-N 0 0 208.305 3.642 20 0 BHADRN CC(C)=Cc1nc([C@H](C)C(C)(C)C)no1 ZINC000547127739 325326610 /nfs/dbraw/zinc/32/66/10/325326610.db2.gz MQZMTNJRIHFPRR-VIFPVBQESA-N 0 0 208.305 3.642 20 0 BHADRN C[C@@H](c1nc([C@H](C)C(C)(C)C)no1)C1CC1 ZINC000547130937 325327323 /nfs/dbraw/zinc/32/73/23/325327323.db2.gz JBXIZMZGPNULNX-BDAKNGLRSA-N 0 0 222.332 3.733 20 0 BHADRN C[C@H](c1nc([C@@H](C)C(C)(C)C)no1)C1CC1 ZINC000547130938 325327325 /nfs/dbraw/zinc/32/73/25/325327325.db2.gz JBXIZMZGPNULNX-DTWKUNHWSA-N 0 0 222.332 3.733 20 0 BHADRN C[C@@H](c1noc([C@@H](C)C2CC2)n1)C(C)(C)C ZINC000547130939 325327173 /nfs/dbraw/zinc/32/71/73/325327173.db2.gz JBXIZMZGPNULNX-IUCAKERBSA-N 0 0 222.332 3.733 20 0 BHADRN C[C@@H](c1nc([C@@H](C)C(C)(C)C)no1)C1CC1 ZINC000547130940 325327081 /nfs/dbraw/zinc/32/70/81/325327081.db2.gz JBXIZMZGPNULNX-RKDXNWHRSA-N 0 0 222.332 3.733 20 0 BHADRN C[C@H](c1noc(CC(C)(C)C)n1)C(C)(C)C ZINC000547131566 325327294 /nfs/dbraw/zinc/32/72/94/325327294.db2.gz TVXGIMAMQRAYMP-SECBINFHSA-N 0 0 224.348 3.808 20 0 BHADRN C[C@@H](c1noc(CC(C)(C)C)n1)C(C)(C)C ZINC000547131567 325327068 /nfs/dbraw/zinc/32/70/68/325327068.db2.gz TVXGIMAMQRAYMP-VIFPVBQESA-N 0 0 224.348 3.808 20 0 BHADRN CC(C)=Cc1nc([C@@H](C)Oc2ccccc2)no1 ZINC000547142033 325327282 /nfs/dbraw/zinc/32/72/82/325327282.db2.gz OFPCZQCHMOHKKN-LLVKDONJSA-N 0 0 244.294 3.633 20 0 BHADRN CC(C)=Cc1nc([C@H](C)Oc2ccccc2)no1 ZINC000547142034 325327030 /nfs/dbraw/zinc/32/70/30/325327030.db2.gz OFPCZQCHMOHKKN-NSHDSACASA-N 0 0 244.294 3.633 20 0 BHADRN CCCCc1nc([C@@H](C)Oc2ccccc2)no1 ZINC000547143249 325327125 /nfs/dbraw/zinc/32/71/25/325327125.db2.gz NRNPWVJLTOIRMX-LLVKDONJSA-N 0 0 246.310 3.552 20 0 BHADRN CCCCc1nc([C@H](C)Oc2ccccc2)no1 ZINC000547143250 325327085 /nfs/dbraw/zinc/32/70/85/325327085.db2.gz NRNPWVJLTOIRMX-NSHDSACASA-N 0 0 246.310 3.552 20 0 BHADRN CC(C)SCc1nc([C@@H](C)C(C)(C)C)no1 ZINC000547147780 325327874 /nfs/dbraw/zinc/32/78/74/325327874.db2.gz MUCLGHHXXURDPR-SECBINFHSA-N 0 0 242.388 3.861 20 0 BHADRN CC(C)SCc1nc([C@H](C)C(C)(C)C)no1 ZINC000547147782 325327507 /nfs/dbraw/zinc/32/75/07/325327507.db2.gz MUCLGHHXXURDPR-VIFPVBQESA-N 0 0 242.388 3.861 20 0 BHADRN CCCSCc1nc([C@@H](C)C(C)(C)C)no1 ZINC000547149317 325328509 /nfs/dbraw/zinc/32/85/09/325328509.db2.gz NJRRDQBAYGXMDS-SECBINFHSA-N 0 0 242.388 3.862 20 0 BHADRN CCCSCc1nc([C@H](C)C(C)(C)C)no1 ZINC000547149318 325328322 /nfs/dbraw/zinc/32/83/22/325328322.db2.gz NJRRDQBAYGXMDS-VIFPVBQESA-N 0 0 242.388 3.862 20 0 BHADRN Cc1ccc(/C=C/c2nc(CC(C)(C)C)no2)o1 ZINC000547162890 325329524 /nfs/dbraw/zinc/32/95/24/325329524.db2.gz ZTZYOLZJUQQRJU-BQYQJAHWSA-N 0 0 246.310 3.730 20 0 BHADRN Cc1ccc(/C=C\c2nc(CC(C)(C)C)no2)o1 ZINC000547162891 325329439 /nfs/dbraw/zinc/32/94/39/325329439.db2.gz ZTZYOLZJUQQRJU-FPLPWBNLSA-N 0 0 246.310 3.730 20 0 BHADRN C[C@H]1C[C@H]1c1noc(C(C)(C)C2CCCC2)n1 ZINC000547180621 325329610 /nfs/dbraw/zinc/32/96/10/325329610.db2.gz YKQDEHPWAMEREL-GXSJLCMTSA-N 0 0 234.343 3.661 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(C(C)(C)C2CCCC2)n1 ZINC000547180622 325329496 /nfs/dbraw/zinc/32/94/96/325329496.db2.gz YKQDEHPWAMEREL-KOLCDFICSA-N 0 0 234.343 3.661 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(C(C)(C)C2CCCC2)n1 ZINC000547180623 325329675 /nfs/dbraw/zinc/32/96/75/325329675.db2.gz YKQDEHPWAMEREL-MWLCHTKSSA-N 0 0 234.343 3.661 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(C(C)(C)C2CCCC2)n1 ZINC000547180624 325330156 /nfs/dbraw/zinc/33/01/56/325330156.db2.gz YKQDEHPWAMEREL-ONGXEEELSA-N 0 0 234.343 3.661 20 0 BHADRN Cc1cccc([C@H](C)c2nc([C@@H]3C[C@@H]3C)no2)c1 ZINC000547180915 325330179 /nfs/dbraw/zinc/33/01/79/325330179.db2.gz IBLAGCNERKJKSP-GMXVVIOVSA-N 0 0 242.322 3.653 20 0 BHADRN Cc1cccc([C@H](C)c2nc([C@H]3C[C@@H]3C)no2)c1 ZINC000547180916 325330076 /nfs/dbraw/zinc/33/00/76/325330076.db2.gz IBLAGCNERKJKSP-GVXVVHGQSA-N 0 0 242.322 3.653 20 0 BHADRN Cc1cccc([C@H](C)c2nc([C@H]3C[C@H]3C)no2)c1 ZINC000547180917 325330072 /nfs/dbraw/zinc/33/00/72/325330072.db2.gz IBLAGCNERKJKSP-MDZLAQPJSA-N 0 0 242.322 3.653 20 0 BHADRN Cc1cccc([C@H](C)c2nc([C@@H]3C[C@H]3C)no2)c1 ZINC000547180918 325329977 /nfs/dbraw/zinc/32/99/77/325329977.db2.gz IBLAGCNERKJKSP-NTZNESFSSA-N 0 0 242.322 3.653 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(CC2(C)CCCCC2)n1 ZINC000547181165 325330121 /nfs/dbraw/zinc/33/01/21/325330121.db2.gz OQXVIYILMWKBNL-GHMZBOCLSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(CC2(C)CCCCC2)n1 ZINC000547181166 325330223 /nfs/dbraw/zinc/33/02/23/325330223.db2.gz OQXVIYILMWKBNL-MNOVXSKESA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(CC2(C)CCCCC2)n1 ZINC000547181167 325330088 /nfs/dbraw/zinc/33/00/88/325330088.db2.gz OQXVIYILMWKBNL-QWRGUYRKSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1C[C@H]1c1noc(CC2(C)CCCCC2)n1 ZINC000547181168 325329632 /nfs/dbraw/zinc/32/96/32/325329632.db2.gz OQXVIYILMWKBNL-WDEREUQCSA-N 0 0 234.343 3.706 20 0 BHADRN Cc1cc(Cl)cc(-c2nc([C@@H]3C[C@@H]3C)no2)c1 ZINC000547182264 325329949 /nfs/dbraw/zinc/32/99/49/325329949.db2.gz QCEMCJKBCSZVBG-GZMMTYOYSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1cc(Cl)cc(-c2nc([C@H]3C[C@H]3C)no2)c1 ZINC000547182265 325330213 /nfs/dbraw/zinc/33/02/13/325330213.db2.gz QCEMCJKBCSZVBG-KCJUWKMLSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1cc(Cl)cc(-c2nc([C@H]3C[C@@H]3C)no2)c1 ZINC000547182266 325330043 /nfs/dbraw/zinc/33/00/43/325330043.db2.gz QCEMCJKBCSZVBG-KWQFWETISA-N 0 0 248.713 3.822 20 0 BHADRN Cc1cc(Cl)cc(-c2nc([C@@H]3C[C@H]3C)no2)c1 ZINC000547182267 325330022 /nfs/dbraw/zinc/33/00/22/325330022.db2.gz QCEMCJKBCSZVBG-LDYMZIIASA-N 0 0 248.713 3.822 20 0 BHADRN CCCC(CCC)c1nc([C@@H]2C[C@@H]2C)no1 ZINC000547182487 325330173 /nfs/dbraw/zinc/33/01/73/325330173.db2.gz XECXTNLFCNRTPC-GXSJLCMTSA-N 0 0 222.332 3.877 20 0 BHADRN CCCC(CCC)c1nc([C@H]2C[C@H]2C)no1 ZINC000547182488 325330183 /nfs/dbraw/zinc/33/01/83/325330183.db2.gz XECXTNLFCNRTPC-KOLCDFICSA-N 0 0 222.332 3.877 20 0 BHADRN CCCC(CCC)c1nc([C@@H]2C[C@H]2C)no1 ZINC000547182489 325330239 /nfs/dbraw/zinc/33/02/39/325330239.db2.gz XECXTNLFCNRTPC-MWLCHTKSSA-N 0 0 222.332 3.877 20 0 BHADRN CCCC(CCC)c1nc([C@H]2C[C@@H]2C)no1 ZINC000547182490 325330170 /nfs/dbraw/zinc/33/01/70/325330170.db2.gz XECXTNLFCNRTPC-ONGXEEELSA-N 0 0 222.332 3.877 20 0 BHADRN Cc1cc(-c2nc([C@@H]3C[C@H]3C)no2)ccc1Cl ZINC000547182722 325330029 /nfs/dbraw/zinc/33/00/29/325330029.db2.gz FMCUZAMLGZOWDY-GMSGAONNSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1cc(-c2nc([C@@H]3C[C@@H]3C)no2)ccc1Cl ZINC000547182723 325329963 /nfs/dbraw/zinc/32/99/63/325329963.db2.gz FMCUZAMLGZOWDY-OIBJUYFYSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1cc(-c2nc([C@H]3C[C@H]3C)no2)ccc1Cl ZINC000547182724 325329484 /nfs/dbraw/zinc/32/94/84/325329484.db2.gz FMCUZAMLGZOWDY-XCBNKYQSSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1cc(-c2nc([C@H]3C[C@@H]3C)no2)ccc1Cl ZINC000547182725 325329502 /nfs/dbraw/zinc/32/95/02/325329502.db2.gz FMCUZAMLGZOWDY-XVKPBYJWSA-N 0 0 248.713 3.822 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(CCCC(C)(C)C)n1 ZINC000547182807 325329934 /nfs/dbraw/zinc/32/99/34/325329934.db2.gz HPOBJQCOLMAPIB-NXEZZACHSA-N 0 0 222.332 3.562 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(CCCC(C)(C)C)n1 ZINC000547182808 325329961 /nfs/dbraw/zinc/32/99/61/325329961.db2.gz HPOBJQCOLMAPIB-UWVGGRQHSA-N 0 0 222.332 3.562 20 0 BHADRN C[C@H]1C[C@H]1c1noc(CCCC(C)(C)C)n1 ZINC000547182809 325330243 /nfs/dbraw/zinc/33/02/43/325330243.db2.gz HPOBJQCOLMAPIB-VHSXEESVSA-N 0 0 222.332 3.562 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(CCCC(C)(C)C)n1 ZINC000547182810 325330040 /nfs/dbraw/zinc/33/00/40/325330040.db2.gz HPOBJQCOLMAPIB-ZJUUUORDSA-N 0 0 222.332 3.562 20 0 BHADRN C[C@H]1C[C@H]1c1noc(CCCC2CCCC2)n1 ZINC000547186622 325331122 /nfs/dbraw/zinc/33/11/22/325331122.db2.gz QTUMVJMYQXDDDZ-CMPLNLGQSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(CCCC2CCCC2)n1 ZINC000547186624 325331109 /nfs/dbraw/zinc/33/11/09/325331109.db2.gz QTUMVJMYQXDDDZ-JQWIXIFHSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(CCCC2CCCC2)n1 ZINC000547186625 325329790 /nfs/dbraw/zinc/32/97/90/325329790.db2.gz QTUMVJMYQXDDDZ-PWSUYJOCSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(CCCC2CCCC2)n1 ZINC000547186627 325329711 /nfs/dbraw/zinc/32/97/11/325329711.db2.gz QTUMVJMYQXDDDZ-ZYHUDNBSSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1C[C@H]1c1noc(CC2CCCCCC2)n1 ZINC000547186939 325331139 /nfs/dbraw/zinc/33/11/39/325331139.db2.gz FNPVPYNRXFRHAD-CMPLNLGQSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(CC2CCCCCC2)n1 ZINC000547186940 325331087 /nfs/dbraw/zinc/33/10/87/325331087.db2.gz FNPVPYNRXFRHAD-JQWIXIFHSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(CC2CCCCCC2)n1 ZINC000547186941 325331005 /nfs/dbraw/zinc/33/10/05/325331005.db2.gz FNPVPYNRXFRHAD-PWSUYJOCSA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(CC2CCCCCC2)n1 ZINC000547186942 325329696 /nfs/dbraw/zinc/32/96/96/325329696.db2.gz FNPVPYNRXFRHAD-ZYHUDNBSSA-N 0 0 234.343 3.706 20 0 BHADRN CCCCS[C@H](C)c1nc([C@H]2C[C@@H]2C)no1 ZINC000547187463 325331024 /nfs/dbraw/zinc/33/10/24/325331024.db2.gz ZYDVNWTUFRKMLZ-AEJSXWLSSA-N 0 0 240.372 3.787 20 0 BHADRN CCCCS[C@H](C)c1nc([C@H]2C[C@H]2C)no1 ZINC000547187465 325331112 /nfs/dbraw/zinc/33/11/12/325331112.db2.gz ZYDVNWTUFRKMLZ-BBBLOLIVSA-N 0 0 240.372 3.787 20 0 BHADRN CCCCS[C@H](C)c1nc([C@@H]2C[C@@H]2C)no1 ZINC000547187466 325330950 /nfs/dbraw/zinc/33/09/50/325330950.db2.gz ZYDVNWTUFRKMLZ-IVZWLZJFSA-N 0 0 240.372 3.787 20 0 BHADRN CCCCS[C@H](C)c1nc([C@@H]2C[C@H]2C)no1 ZINC000547187468 325330969 /nfs/dbraw/zinc/33/09/69/325330969.db2.gz ZYDVNWTUFRKMLZ-OPRDCNLKSA-N 0 0 240.372 3.787 20 0 BHADRN CCc1cc(-c2nc([C@@H]3C[C@H]3C)no2)sc1C ZINC000547187602 325330990 /nfs/dbraw/zinc/33/09/90/325330990.db2.gz PJENGCLBKRTXDI-GMSGAONNSA-N 0 0 248.351 3.792 20 0 BHADRN CCc1cc(-c2nc([C@@H]3C[C@@H]3C)no2)sc1C ZINC000547187603 325330939 /nfs/dbraw/zinc/33/09/39/325330939.db2.gz PJENGCLBKRTXDI-OIBJUYFYSA-N 0 0 248.351 3.792 20 0 BHADRN CCc1cc(-c2nc([C@H]3C[C@H]3C)no2)sc1C ZINC000547187604 325330875 /nfs/dbraw/zinc/33/08/75/325330875.db2.gz PJENGCLBKRTXDI-XCBNKYQSSA-N 0 0 248.351 3.792 20 0 BHADRN CCc1cc(-c2nc([C@H]3C[C@@H]3C)no2)sc1C ZINC000547187605 325330916 /nfs/dbraw/zinc/33/09/16/325330916.db2.gz PJENGCLBKRTXDI-XVKPBYJWSA-N 0 0 248.351 3.792 20 0 BHADRN C[C@H]1C[C@H]1c1noc(C[C@H]2CCC[C@@H](C)C2)n1 ZINC000547188569 325331337 /nfs/dbraw/zinc/33/13/37/325331337.db2.gz UIKUMZSIBQKSJG-NOOOWODRSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(C[C@H]2CCC[C@@H](C)C2)n1 ZINC000547188570 325331471 /nfs/dbraw/zinc/33/14/71/325331471.db2.gz UIKUMZSIBQKSJG-RHYQMDGZSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(C[C@H]2CCC[C@@H](C)C2)n1 ZINC000547188571 325331521 /nfs/dbraw/zinc/33/15/21/325331521.db2.gz UIKUMZSIBQKSJG-WISYIIOYSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(C[C@H]2CCC[C@@H](C)C2)n1 ZINC000547188572 325331456 /nfs/dbraw/zinc/33/14/56/325331456.db2.gz UIKUMZSIBQKSJG-WYUUTHIRSA-N 0 0 234.343 3.562 20 0 BHADRN CCCC(=Cc1nc(-c2ccon2)no1)CCC ZINC000547193154 325331454 /nfs/dbraw/zinc/33/14/54/325331454.db2.gz QDTFORUVRHKXBC-UHFFFAOYSA-N 0 0 247.298 3.708 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/nfs/dbraw/zinc/42/23/71/325422371.db2.gz WPTDBMFJDIURQY-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN Cc1ccc(NC(=O)C2(C)CCCCC2)cc1 ZINC000548035194 388505361 /nfs/dbraw/zinc/50/53/61/388505361.db2.gz YMQGGODWXJLDNS-UHFFFAOYSA-N 0 0 231.339 3.904 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)C2(C)CCCCC2)CC1 ZINC000548037181 387912033 /nfs/dbraw/zinc/91/20/33/387912033.db2.gz AKMUHLILTAESJW-JOCQHMNTSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1cccc(NC(=O)NCC2CC(C)(C)C2)c1 ZINC000548040976 325422346 /nfs/dbraw/zinc/42/23/46/325422346.db2.gz BYXQXUXDMKLRFI-UHFFFAOYSA-N 0 0 246.354 3.553 20 0 BHADRN Cc1ccccc1NC(=O)NCC1CC(C)(C)C1 ZINC000548041081 388505021 /nfs/dbraw/zinc/50/50/21/388505021.db2.gz LTRQOXXWCWJSPG-UHFFFAOYSA-N 0 0 246.354 3.553 20 0 BHADRN CC(C)(C)CCCNC(=O)C1(C)CCCCC1 ZINC000548043276 388504865 /nfs/dbraw/zinc/50/48/65/388504865.db2.gz FCECZFMMMRJMQV-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)NCC1CC(C)(C)C1 ZINC000548056817 388507281 /nfs/dbraw/zinc/50/72/81/388507281.db2.gz ZIRZTHBKQOKUIS-GFCCVEGCSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)CC(=O)NCC1CC(C)(C)C1 ZINC000548056823 388507725 /nfs/dbraw/zinc/50/77/25/388507725.db2.gz ZIRZTHBKQOKUIS-LBPRGKRZSA-N 0 0 239.403 3.611 20 0 BHADRN CCCC1(C(=O)NCC2CC(C)(C)C2)CCC1 ZINC000548057566 388507328 /nfs/dbraw/zinc/50/73/28/388507328.db2.gz ISPVBPBURLZTOU-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(C)CC(CNC(=O)C2(C)CCCCC2)C1 ZINC000548059619 325425634 /nfs/dbraw/zinc/42/56/34/325425634.db2.gz ISRLJBDUTDLYJR-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(C)CC(CNC(=O)CC2CCCCC2)C1 ZINC000548059778 325425589 /nfs/dbraw/zinc/42/55/89/325425589.db2.gz BUXRMXYYYQGTPI-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCC(CC)C(=O)N(C(CC)CC)C1CC1 ZINC000548061119 325425532 /nfs/dbraw/zinc/42/55/32/325425532.db2.gz JLPDXAGKCOEQPC-UHFFFAOYSA-N 0 0 225.376 3.602 20 0 BHADRN CCC(CC)C(=O)Nc1cccc2ccncc21 ZINC000548061888 325425489 /nfs/dbraw/zinc/42/54/89/325425489.db2.gz LGOQLEKCUJOYHV-UHFFFAOYSA-N 0 0 242.322 3.610 20 0 BHADRN CCCC[C@@H](CC)C(=O)NC(C)(C)C1CC1 ZINC000548063918 388507217 /nfs/dbraw/zinc/50/72/17/388507217.db2.gz IAMVHSZQIMQYIP-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CC)C(=O)NC(C)(C)C1CC1 ZINC000548063919 388507769 /nfs/dbraw/zinc/50/77/69/388507769.db2.gz IAMVHSZQIMQYIP-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCc1ccc(NC(=O)N2[C@@H](C)C[C@@H]2C)cc1C ZINC000548089112 388509208 /nfs/dbraw/zinc/50/92/08/388509208.db2.gz CVFUJSDYLMLUBW-RYUDHWBXSA-N 0 0 246.354 3.572 20 0 BHADRN CCc1ccc(NC(=O)N2[C@H](C)C[C@@H]2C)cc1C ZINC000548089113 388509716 /nfs/dbraw/zinc/50/97/16/388509716.db2.gz CVFUJSDYLMLUBW-TXEJJXNPSA-N 0 0 246.354 3.572 20 0 BHADRN CCc1ccc(NC(=O)N2[C@H](C)C[C@H]2C)cc1C ZINC000548089114 388509672 /nfs/dbraw/zinc/50/96/72/388509672.db2.gz CVFUJSDYLMLUBW-VXGBXAGGSA-N 0 0 246.354 3.572 20 0 BHADRN CC(C)(C)c1ccc(Nc2cccnn2)cc1 ZINC000548089977 388509303 /nfs/dbraw/zinc/50/93/03/388509303.db2.gz FKVSSVDATFLETL-UHFFFAOYSA-N 0 0 227.311 3.518 20 0 BHADRN C[C@@H](c1ncc(C(C)(C)C)o1)N1[C@H](C)C[C@@H]1C ZINC000548096139 388510852 /nfs/dbraw/zinc/51/08/52/388510852.db2.gz JWMGTTWEUTWZRG-AXFHLTTASA-N 0 0 236.359 3.516 20 0 BHADRN C[C@H](c1ncc(C(C)(C)C)o1)N1[C@H](C)C[C@H]1C ZINC000548096140 325428012 /nfs/dbraw/zinc/42/80/12/325428012.db2.gz JWMGTTWEUTWZRG-GMTAPVOTSA-N 0 0 236.359 3.516 20 0 BHADRN C[C@@H](c1ncc(C(C)(C)C)o1)N1[C@H](C)C[C@H]1C ZINC000548096141 388509867 /nfs/dbraw/zinc/50/98/67/388509867.db2.gz JWMGTTWEUTWZRG-MXWKQRLJSA-N 0 0 236.359 3.516 20 0 BHADRN C[C@H](c1ncc(C(C)(C)C)o1)N1[C@H](C)C[C@@H]1C ZINC000548096142 388509326 /nfs/dbraw/zinc/50/93/26/388509326.db2.gz JWMGTTWEUTWZRG-OUAUKWLOSA-N 0 0 236.359 3.516 20 0 BHADRN C[C@@H](c1c(F)cccc1F)N1[C@H](C)C[C@@H]1C ZINC000548096267 388511316 /nfs/dbraw/zinc/51/13/16/388511316.db2.gz LSGBXOWJEDSWEE-AEJSXWLSSA-N 0 0 225.282 3.509 20 0 BHADRN C[C@@H](c1c(F)cccc1F)N1[C@H](C)C[C@H]1C ZINC000548096273 325428573 /nfs/dbraw/zinc/42/85/73/325428573.db2.gz LSGBXOWJEDSWEE-BBBLOLIVSA-N 0 0 225.282 3.509 20 0 BHADRN C[C@H](c1c(F)cccc1F)N1[C@H](C)C[C@@H]1C ZINC000548096274 388510698 /nfs/dbraw/zinc/51/06/98/388510698.db2.gz LSGBXOWJEDSWEE-KXUCPTDWSA-N 0 0 225.282 3.509 20 0 BHADRN C[C@H](c1c(F)cccc1F)N1[C@H](C)C[C@H]1C ZINC000548096275 388511153 /nfs/dbraw/zinc/51/11/53/388511153.db2.gz LSGBXOWJEDSWEE-OPRDCNLKSA-N 0 0 225.282 3.509 20 0 BHADRN C[C@@H]1C[C@H](C)N1Cc1ccc(Cl)c(Cl)c1 ZINC000548097935 388512151 /nfs/dbraw/zinc/51/21/51/388512151.db2.gz RWJVILWJUNFMPT-DTORHVGOSA-N 0 0 244.165 3.976 20 0 BHADRN C[C@H]1C[C@H](C)N1Cc1ccc(Cl)c(Cl)c1 ZINC000548097936 325429981 /nfs/dbraw/zinc/42/99/81/325429981.db2.gz RWJVILWJUNFMPT-IUCAKERBSA-N 0 0 244.165 3.976 20 0 BHADRN C[C@@H]1C[C@@H](C)N1Cc1ccc(Cl)c(Cl)c1 ZINC000548097937 325430059 /nfs/dbraw/zinc/43/00/59/325430059.db2.gz RWJVILWJUNFMPT-RKDXNWHRSA-N 0 0 244.165 3.976 20 0 BHADRN CC(C)=CCN(C)c1ccc2cc[nH]c2c1 ZINC000548099668 325430556 /nfs/dbraw/zinc/43/05/56/325430556.db2.gz BJPHZVXGZTZHCK-UHFFFAOYSA-N 0 0 214.312 3.570 20 0 BHADRN C[C@H]1CCCC[C@H]1CC(=O)N1CCCC2(CC2)C1 ZINC000548112108 325431800 /nfs/dbraw/zinc/43/18/00/325431800.db2.gz ILARGDOHNOPYKA-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)N1CCCC2(CC2)C1 ZINC000548112110 388512979 /nfs/dbraw/zinc/51/29/79/388512979.db2.gz ILARGDOHNOPYKA-KGLIPLIRSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H]1CCCC[C@@H]1CC(=O)N1CCCC2(CC2)C1 ZINC000548112112 325431871 /nfs/dbraw/zinc/43/18/71/325431871.db2.gz ILARGDOHNOPYKA-UONOGXRCSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCC2(CC2)C1 ZINC000548112114 325431873 /nfs/dbraw/zinc/43/18/73/325431873.db2.gz ILARGDOHNOPYKA-ZIAGYGMSSA-N 0 0 249.398 3.605 20 0 BHADRN Fc1ccccc1CNc1cccc2cc[nH]c21 ZINC000548139312 388516602 /nfs/dbraw/zinc/51/66/02/388516602.db2.gz GMDXNBIURLFBGE-UHFFFAOYSA-N 0 0 240.281 3.919 20 0 BHADRN Cc1ncc(CNc2cccc3cc[nH]c32)s1 ZINC000548139538 388517139 /nfs/dbraw/zinc/51/71/39/388517139.db2.gz NHWXPFLCWCNLAG-UHFFFAOYSA-N 0 0 243.335 3.545 20 0 BHADRN c1cc2cccc(NCCc3ccccc3)c2[nH]1 ZINC000548139731 325434558 /nfs/dbraw/zinc/43/45/58/325434558.db2.gz CCEKCKFBBJLOEQ-UHFFFAOYSA-N 0 0 236.318 3.823 20 0 BHADRN C/C(=C\c1cnc(C(C)C)s1)c1cnccn1 ZINC000548139781 325434715 /nfs/dbraw/zinc/43/47/15/325434715.db2.gz XGXILMCCILUJQB-UXBLZVDNSA-N 0 0 245.351 3.617 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3C[C@@H]3C(C)C)n2)cc1 ZINC000548139909 325434649 /nfs/dbraw/zinc/43/46/49/325434649.db2.gz OVVTZBWHYXQRHG-CHWSQXEVSA-N 0 0 242.322 3.805 20 0 BHADRN Cc1ccc(-c2noc([C@H]3C[C@@H]3C(C)C)n2)cc1 ZINC000548139910 325434710 /nfs/dbraw/zinc/43/47/10/325434710.db2.gz OVVTZBWHYXQRHG-OLZOCXBDSA-N 0 0 242.322 3.805 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3C[C@H]3C(C)C)n2)cc1 ZINC000548139911 325434515 /nfs/dbraw/zinc/43/45/15/325434515.db2.gz OVVTZBWHYXQRHG-QWHCGFSZSA-N 0 0 242.322 3.805 20 0 BHADRN Cc1ccc(-c2noc([C@H]3C[C@H]3C(C)C)n2)cc1 ZINC000548139912 325434575 /nfs/dbraw/zinc/43/45/75/325434575.db2.gz OVVTZBWHYXQRHG-STQMWFEESA-N 0 0 242.322 3.805 20 0 BHADRN Cc1csc(CNc2cccc3cc[nH]c32)n1 ZINC000548140032 325434499 /nfs/dbraw/zinc/43/44/99/325434499.db2.gz ZQVGIRYOYWHHDA-UHFFFAOYSA-N 0 0 243.335 3.545 20 0 BHADRN C[C@H](CC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000548140554 325434704 /nfs/dbraw/zinc/43/47/04/325434704.db2.gz KVSPUWXLCCJLNP-SECBINFHSA-N 0 0 224.348 3.907 20 0 BHADRN C[C@@H](CC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000548140555 388517372 /nfs/dbraw/zinc/51/73/72/388517372.db2.gz KVSPUWXLCCJLNP-VIFPVBQESA-N 0 0 224.348 3.907 20 0 BHADRN COc1ccccc1OCc1ccc(F)cc1C ZINC000548142651 325435137 /nfs/dbraw/zinc/43/51/37/325435137.db2.gz XXXCQUBDDHEIAD-UHFFFAOYSA-N 0 0 246.281 3.722 20 0 BHADRN CCC[C@H](C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548144119 325435062 /nfs/dbraw/zinc/43/50/62/325435062.db2.gz AMKQYHYXUBDWSY-JTQLQIEISA-N 0 0 230.311 3.543 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548144120 325435235 /nfs/dbraw/zinc/43/52/35/325435235.db2.gz AMKQYHYXUBDWSY-SNVBAGLBSA-N 0 0 230.311 3.543 20 0 BHADRN Cc1cc(F)ccc1CS[C@@H]1CCCOC1 ZINC000548146779 325435537 /nfs/dbraw/zinc/43/55/37/325435537.db2.gz UOOLTWQQRVRATN-CYBMUJFWSA-N 0 0 240.343 3.546 20 0 BHADRN Cc1cc(F)ccc1CS[C@H]1CCCOC1 ZINC000548146780 388516596 /nfs/dbraw/zinc/51/65/96/388516596.db2.gz UOOLTWQQRVRATN-ZDUSSCGKSA-N 0 0 240.343 3.546 20 0 BHADRN Cc1ccoc1CNc1cccc2cc[nH]c21 ZINC000548147383 388516608 /nfs/dbraw/zinc/51/66/08/388516608.db2.gz ZFMVXGIQLJMHBW-UHFFFAOYSA-N 0 0 226.279 3.681 20 0 BHADRN CC1=C(C(=O)Nc2cccc3cc[nH]c32)CCC1 ZINC000548147769 325436061 /nfs/dbraw/zinc/43/60/61/325436061.db2.gz FCEULYKSRHANSJ-UHFFFAOYSA-N 0 0 240.306 3.607 20 0 BHADRN c1cc(CSCCCCc2ccccc2)on1 ZINC000548148697 325436054 /nfs/dbraw/zinc/43/60/54/325436054.db2.gz ICVXYACKHSLOJP-UHFFFAOYSA-N 0 0 247.363 3.931 20 0 BHADRN FCCSCCCCc1ccccc1 ZINC000548148740 388518317 /nfs/dbraw/zinc/51/83/17/388518317.db2.gz DPDPTOKSLNLYSH-UHFFFAOYSA-N 0 0 212.333 3.712 20 0 BHADRN c1ccc2oc(SCCC3CC3)nc2c1 ZINC000548148791 388518072 /nfs/dbraw/zinc/51/80/72/388518072.db2.gz XVFAGKOTXQFFDY-UHFFFAOYSA-N 0 0 219.309 3.720 20 0 BHADRN Cc1nc2ccccc2nc1SCCC1CC1 ZINC000548148810 325435891 /nfs/dbraw/zinc/43/58/91/325435891.db2.gz FGSRCZBRUJQSNG-UHFFFAOYSA-N 0 0 244.363 3.830 20 0 BHADRN CC(C)c1ccccc1NC(=O)N1CCC1(C)C ZINC000548151257 388518234 /nfs/dbraw/zinc/51/82/34/388518234.db2.gz PUXRZGQGGXRFDB-UHFFFAOYSA-N 0 0 246.354 3.826 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1Cc1ncc(Cl)s1 ZINC000548160935 388518761 /nfs/dbraw/zinc/51/87/61/388518761.db2.gz GCKNPEFQMNJBGG-BDAKNGLRSA-N 0 0 244.791 3.559 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1Cc1ncc(Cl)s1 ZINC000548160936 388518748 /nfs/dbraw/zinc/51/87/48/388518748.db2.gz GCKNPEFQMNJBGG-DTWKUNHWSA-N 0 0 244.791 3.559 20 0 BHADRN CC[C@H]1CC[C@H](C)N1Cc1ncc(Cl)s1 ZINC000548160937 388518826 /nfs/dbraw/zinc/51/88/26/388518826.db2.gz GCKNPEFQMNJBGG-IUCAKERBSA-N 0 0 244.791 3.559 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1Cc1ncc(Cl)s1 ZINC000548160938 388518792 /nfs/dbraw/zinc/51/87/92/388518792.db2.gz GCKNPEFQMNJBGG-RKDXNWHRSA-N 0 0 244.791 3.559 20 0 BHADRN O=C(NCCC1CCCC1)C1=CCCCCC1 ZINC000548161641 490186081 /nfs/dbraw/zinc/18/60/81/490186081.db2.gz UOCIABHRHUZAGV-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN CN(C[C@H]1CC=CCC1)C(=O)C1=CCCCCC1 ZINC000548165019 387273404 /nfs/dbraw/zinc/27/34/04/387273404.db2.gz YCLLFGYZERTZBJ-AWEZNQCLSA-N 0 0 247.382 3.692 20 0 BHADRN CN(C[C@@H]1CC=CCC1)C(=O)C1=CCCCCC1 ZINC000548165021 323567604 /nfs/dbraw/zinc/56/76/04/323567604.db2.gz YCLLFGYZERTZBJ-CQSZACIVSA-N 0 0 247.382 3.692 20 0 BHADRN C[C@@H]1CC[C@@H](C)N(C(=O)C2=CCCCCC2)C1 ZINC000548168180 325438158 /nfs/dbraw/zinc/43/81/58/325438158.db2.gz QASGGKWYCANPCY-CHWSQXEVSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CC[C@H](C)N(C(=O)C2=CCCCCC2)C1 ZINC000548168181 398137239 /nfs/dbraw/zinc/13/72/39/398137239.db2.gz QASGGKWYCANPCY-OLZOCXBDSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CC[C@H](C)CN1C(=O)C1=CCCCCC1 ZINC000548168182 398137242 /nfs/dbraw/zinc/13/72/42/398137242.db2.gz QASGGKWYCANPCY-QWHCGFSZSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@H]1CC[C@H](C)N(C(=O)C2=CCCCCC2)C1 ZINC000548168183 325438000 /nfs/dbraw/zinc/43/80/00/325438000.db2.gz QASGGKWYCANPCY-STQMWFEESA-N 0 0 235.371 3.524 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)C2=CCCCCC2)CC1 ZINC000548168661 387294763 /nfs/dbraw/zinc/29/47/63/387294763.db2.gz JRVSMJVYHKRHBY-MQMHXKEQSA-N 0 0 235.371 3.572 20 0 BHADRN O=C(C1=CCCCCC1)N1CCC[C@H]1C1CCC1 ZINC000548169922 388519912 /nfs/dbraw/zinc/51/99/12/388519912.db2.gz ZABMWRUJWINCNI-HNNXBMFYSA-N 0 0 247.382 3.668 20 0 BHADRN O=C(C1=CCCCCC1)N1CCC[C@@H]1C1CCC1 ZINC000548169923 325438502 /nfs/dbraw/zinc/43/85/02/325438502.db2.gz ZABMWRUJWINCNI-OAHLLOKOSA-N 0 0 247.382 3.668 20 0 BHADRN CCC1CCN(C(=O)C2=CCCCCC2)CC1 ZINC000548172714 388519646 /nfs/dbraw/zinc/51/96/46/388519646.db2.gz UUVNNXZOKRLVSH-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CC(C)N(CC1CC1)C(=O)C1=CCCCCC1 ZINC000548174719 388520118 /nfs/dbraw/zinc/52/01/18/388520118.db2.gz TXJBVSXXUHIVSN-UHFFFAOYSA-N 0 0 235.371 3.524 20 0 BHADRN CCc1ccccc1N[C@H](COC)CC(C)C ZINC000548194909 388521013 /nfs/dbraw/zinc/52/10/13/388521013.db2.gz XLODFJVKQGPXSO-AWEZNQCLSA-N 0 0 235.371 3.722 20 0 BHADRN CCc1ccccc1N[C@@H](COC)CC(C)C ZINC000548194910 388521140 /nfs/dbraw/zinc/52/11/40/388521140.db2.gz XLODFJVKQGPXSO-CQSZACIVSA-N 0 0 235.371 3.722 20 0 BHADRN CCc1cccc(N[C@H](COC)CC(C)C)c1 ZINC000548196189 325440505 /nfs/dbraw/zinc/44/05/05/325440505.db2.gz HRHBDIJJNBLLIF-HNNXBMFYSA-N 0 0 235.371 3.722 20 0 BHADRN CCc1cccc(N[C@@H](COC)CC(C)C)c1 ZINC000548196190 325440767 /nfs/dbraw/zinc/44/07/67/325440767.db2.gz HRHBDIJJNBLLIF-OAHLLOKOSA-N 0 0 235.371 3.722 20 0 BHADRN CC(C)(C)CN(Cc1ccon1)c1ccccc1 ZINC000548275829 388524826 /nfs/dbraw/zinc/52/48/26/388524826.db2.gz XBIFOLHXFLWRJJ-UHFFFAOYSA-N 0 0 244.338 3.727 20 0 BHADRN C[C@@H](N(C)C(=O)C[C@@H]1C=CCCC1)C(C)(C)C ZINC000548280771 325444077 /nfs/dbraw/zinc/44/40/77/325444077.db2.gz HCTQXSLKDYUKCV-CHWSQXEVSA-N 0 0 237.387 3.626 20 0 BHADRN C[C@@H](N(C)C(=O)C[C@H]1C=CCCC1)C(C)(C)C ZINC000548280772 388524337 /nfs/dbraw/zinc/52/43/37/388524337.db2.gz HCTQXSLKDYUKCV-OLZOCXBDSA-N 0 0 237.387 3.626 20 0 BHADRN C[C@H](N(C)C(=O)C[C@@H]1C=CCCC1)C(C)(C)C ZINC000548280773 325444118 /nfs/dbraw/zinc/44/41/18/325444118.db2.gz HCTQXSLKDYUKCV-QWHCGFSZSA-N 0 0 237.387 3.626 20 0 BHADRN C[C@H](N(C)C(=O)C[C@H]1C=CCCC1)C(C)(C)C ZINC000548280774 388524243 /nfs/dbraw/zinc/52/42/43/388524243.db2.gz HCTQXSLKDYUKCV-STQMWFEESA-N 0 0 237.387 3.626 20 0 BHADRN Cc1ccc(C)c(N(C)Cc2ncccc2C)c1 ZINC000548293918 388526123 /nfs/dbraw/zinc/52/61/23/388526123.db2.gz PSJVWLVIWUDHKF-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN c1csc(-c2noc(C[C@H]3C=CCCC3)n2)c1 ZINC000548299092 325445375 /nfs/dbraw/zinc/44/53/75/325445375.db2.gz RPVCMOACEJOULT-JTQLQIEISA-N 0 0 246.335 3.697 20 0 BHADRN c1csc(-c2noc(C[C@@H]3C=CCCC3)n2)c1 ZINC000548299093 388527231 /nfs/dbraw/zinc/52/72/31/388527231.db2.gz RPVCMOACEJOULT-SNVBAGLBSA-N 0 0 246.335 3.697 20 0 BHADRN CC[C@@H]1CCC[C@@H]1Nc1cnn([C@H](C)C2CC2)c1 ZINC000548307310 325446457 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/nfs/dbraw/zinc/49/84/14/325498414.db2.gz KQWHFIHITOWBAL-NXEZZACHSA-N 0 0 242.413 3.847 20 0 BHADRN C[C@H]1CCC[C@@H](CCSc2nncs2)C1 ZINC000549220967 325498503 /nfs/dbraw/zinc/49/85/03/325498503.db2.gz KQWHFIHITOWBAL-UWVGGRQHSA-N 0 0 242.413 3.847 20 0 BHADRN C[C@H]1CCC[C@H](CCSc2nncs2)C1 ZINC000549220968 325498666 /nfs/dbraw/zinc/49/86/66/325498666.db2.gz KQWHFIHITOWBAL-VHSXEESVSA-N 0 0 242.413 3.847 20 0 BHADRN C[C@@H]1CCC[C@@H](CCSc2nncs2)C1 ZINC000549220969 325498407 /nfs/dbraw/zinc/49/84/07/325498407.db2.gz KQWHFIHITOWBAL-ZJUUUORDSA-N 0 0 242.413 3.847 20 0 BHADRN CCCC(CCC)SCCc1ccnn1C ZINC000549221197 388574213 /nfs/dbraw/zinc/57/42/13/388574213.db2.gz RRQPAOOFBDPNMU-UHFFFAOYSA-N 0 0 240.416 3.665 20 0 BHADRN c1ccc(C2CC(CNc3ccccn3)C2)cc1 ZINC000549255969 388575534 /nfs/dbraw/zinc/57/55/34/388575534.db2.gz CGEURQLXZGEXFM-UHFFFAOYSA-N 0 0 238.334 3.687 20 0 BHADRN C[C@]1(C(=O)Nc2ccc(Cl)cc2)C[C@H]2C[C@H]2C1 ZINC000549258741 325499391 /nfs/dbraw/zinc/49/93/91/325499391.db2.gz PHUWRTVZMXITDN-MSRIBSCDSA-N 0 0 249.741 3.715 20 0 BHADRN Cc1ccc(NC(=O)c2sccc2F)cc1C ZINC000549260014 388575725 /nfs/dbraw/zinc/57/57/25/388575725.db2.gz VGHNNBPTULGMRO-UHFFFAOYSA-N 0 0 249.310 3.756 20 0 BHADRN C[C@]1(C(=O)Nc2ccccc2Cl)C[C@H]2C[C@H]2C1 ZINC000549260247 388575856 /nfs/dbraw/zinc/57/58/56/388575856.db2.gz FSXFHYBLBLRRGW-MSRIBSCDSA-N 0 0 249.741 3.715 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC000549261083 388576073 /nfs/dbraw/zinc/57/60/73/388576073.db2.gz GOCJQIBICQQAGD-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC000549261084 388575721 /nfs/dbraw/zinc/57/57/21/388575721.db2.gz GOCJQIBICQQAGD-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN C(CC1CCOCC1)SC1CCCCC1 ZINC000549299308 325499688 /nfs/dbraw/zinc/49/96/88/325499688.db2.gz GPZGLCJADZMHBO-UHFFFAOYSA-N 0 0 228.401 3.869 20 0 BHADRN C[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[C@H](C)O1 ZINC000549299354 388576912 /nfs/dbraw/zinc/57/69/12/388576912.db2.gz IONJJORFWJMTNS-DDFAGTSDSA-N 0 0 240.343 3.874 20 0 BHADRN C[C@@H]1C[C@H](Sc2ccc(F)cc2)C[C@H](C)O1 ZINC000549299358 325499704 /nfs/dbraw/zinc/49/97/04/325499704.db2.gz IONJJORFWJMTNS-IWIIMEHWSA-N 0 0 240.343 3.874 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@H](C)C(C)(F)F)c1 ZINC000549299748 388576308 /nfs/dbraw/zinc/57/63/08/388576308.db2.gz JWKLSJXBXJHJJH-JTQLQIEISA-N 0 0 241.281 3.533 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H](C)C(C)(F)F)c1 ZINC000549299761 325499692 /nfs/dbraw/zinc/49/96/92/325499692.db2.gz JWKLSJXBXJHJJH-SNVBAGLBSA-N 0 0 241.281 3.533 20 0 BHADRN COC1(CCSc2ccc(F)cc2)CCC1 ZINC000549300613 325499735 /nfs/dbraw/zinc/49/97/35/325499735.db2.gz UZJGGVCRUCRNDV-UHFFFAOYSA-N 0 0 240.343 3.877 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000549300882 388576867 /nfs/dbraw/zinc/57/68/67/388576867.db2.gz YVWQNAVHHZQVBQ-QHBPRCKVSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cc2ccccc2nc1N[C@H]1CCC[C@H]1F ZINC000549302778 388576692 /nfs/dbraw/zinc/57/66/92/388576692.db2.gz SMISAVIFYNMRSP-OCCSQVGLSA-N 0 0 244.313 3.846 20 0 BHADRN C[C@H](CSc1nncs1)C1CCCCC1 ZINC000549305404 322820213 /nfs/dbraw/zinc/82/02/13/322820213.db2.gz ABBZPHUGJZLPJC-SECBINFHSA-N 0 0 242.413 3.847 20 0 BHADRN C[C@@H](CSc1nncs1)C1CCCCC1 ZINC000549305409 384335183 /nfs/dbraw/zinc/33/51/83/384335183.db2.gz ABBZPHUGJZLPJC-VIFPVBQESA-N 0 0 242.413 3.847 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000549336025 388576917 /nfs/dbraw/zinc/57/69/17/388576917.db2.gz ZQZPXZCSWCZZFN-QHBPRCKVSA-N 0 0 247.313 3.509 20 0 BHADRN CO[C@@H]1CCC[C@H]1SCC1CCCCC1 ZINC000549348155 325500409 /nfs/dbraw/zinc/50/04/09/325500409.db2.gz AITVLAAQKSBGMU-CHWSQXEVSA-N 0 0 228.401 3.867 20 0 BHADRN CO[C@@H]1CCC[C@@H]1SCC1CCCCC1 ZINC000549348156 388577604 /nfs/dbraw/zinc/57/76/04/388577604.db2.gz AITVLAAQKSBGMU-OLZOCXBDSA-N 0 0 228.401 3.867 20 0 BHADRN CO[C@H]1CCC[C@H]1SCC1CCCCC1 ZINC000549348157 388577772 /nfs/dbraw/zinc/57/77/72/388577772.db2.gz AITVLAAQKSBGMU-QWHCGFSZSA-N 0 0 228.401 3.867 20 0 BHADRN CO[C@H]1CCC[C@@H]1SCC1CCCCC1 ZINC000549348158 325500485 /nfs/dbraw/zinc/50/04/85/325500485.db2.gz AITVLAAQKSBGMU-STQMWFEESA-N 0 0 228.401 3.867 20 0 BHADRN Cc1cccc(SCCC2CCOCC2)c1 ZINC000549350355 325500411 /nfs/dbraw/zinc/50/04/11/325500411.db2.gz UNCDZAKXELMWOI-UHFFFAOYSA-N 0 0 236.380 3.904 20 0 BHADRN CCc1ccc(CS[C@H](C)C(C)C)nc1 ZINC000549372075 388577539 /nfs/dbraw/zinc/57/75/39/388577539.db2.gz JLWRXWYUDZBDPE-LLVKDONJSA-N 0 0 223.385 3.922 20 0 BHADRN CCc1ccc(CS[C@@H](C)C(C)C)nc1 ZINC000549372076 325501079 /nfs/dbraw/zinc/50/10/79/325501079.db2.gz JLWRXWYUDZBDPE-NSHDSACASA-N 0 0 223.385 3.922 20 0 BHADRN C[C@H](CSc1cccnn1)C1CCCCC1 ZINC000549374135 388577992 /nfs/dbraw/zinc/57/79/92/388577992.db2.gz IRSNYRLIHYEFIT-LLVKDONJSA-N 0 0 236.384 3.785 20 0 BHADRN C[C@@H](CSc1cccnn1)C1CCCCC1 ZINC000549374136 388577825 /nfs/dbraw/zinc/57/78/25/388577825.db2.gz IRSNYRLIHYEFIT-NSHDSACASA-N 0 0 236.384 3.785 20 0 BHADRN CC[C@@H](C)CSCCC1CCOCC1 ZINC000549374897 388577879 /nfs/dbraw/zinc/57/78/79/388577879.db2.gz VDWRWIALUHXIBM-LLVKDONJSA-N 0 0 216.390 3.582 20 0 BHADRN CC[C@H](C)CSCCC1CCOCC1 ZINC000549374902 388577553 /nfs/dbraw/zinc/57/75/53/388577553.db2.gz VDWRWIALUHXIBM-NSHDSACASA-N 0 0 216.390 3.582 20 0 BHADRN CO[C@@H]1CCC[C@@H]1SCCCC(C)C ZINC000549375116 388578154 /nfs/dbraw/zinc/57/81/54/388578154.db2.gz DULJLPSBRRQKAW-NEPJUHHUSA-N 0 0 216.390 3.723 20 0 BHADRN CO[C@H]1CCC[C@H]1SCCCC(C)C ZINC000549375117 388577749 /nfs/dbraw/zinc/57/77/49/388577749.db2.gz DULJLPSBRRQKAW-NWDGAFQWSA-N 0 0 216.390 3.723 20 0 BHADRN CO[C@H]1CCC[C@@H]1SCCCC(C)C ZINC000549375118 325501531 /nfs/dbraw/zinc/50/15/31/325501531.db2.gz DULJLPSBRRQKAW-RYUDHWBXSA-N 0 0 216.390 3.723 20 0 BHADRN CO[C@@H]1CCC[C@H]1SCCCC(C)C ZINC000549375119 388578018 /nfs/dbraw/zinc/57/80/18/388578018.db2.gz DULJLPSBRRQKAW-VXGBXAGGSA-N 0 0 216.390 3.723 20 0 BHADRN CCCCCSCCC1(OC)CCC1 ZINC000549375872 388577559 /nfs/dbraw/zinc/57/75/59/388577559.db2.gz LYDXYRMRJHZSDA-UHFFFAOYSA-N 0 0 216.390 3.869 20 0 BHADRN CC(C)=CCS[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000549387080 384335136 /nfs/dbraw/zinc/33/51/36/384335136.db2.gz ABHGOBVWPCSAKQ-GDNZZTSVSA-N 0 0 214.374 3.642 20 0 BHADRN CC(C)=CCS[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000549387081 322820293 /nfs/dbraw/zinc/82/02/93/322820293.db2.gz ABHGOBVWPCSAKQ-ZSBIGDGJSA-N 0 0 214.374 3.642 20 0 BHADRN CCc1cccc(CSc2nc(C)c(C)[nH]2)c1 ZINC000549406202 388578765 /nfs/dbraw/zinc/57/87/65/388578765.db2.gz IKMSTWBKGGBVKE-UHFFFAOYSA-N 0 0 246.379 3.881 20 0 BHADRN CCc1ccc(CSc2nc(C)c(C)[nH]2)cc1 ZINC000549407830 388578956 /nfs/dbraw/zinc/57/89/56/388578956.db2.gz BOEVZMQFBVOEFP-UHFFFAOYSA-N 0 0 246.379 3.881 20 0 BHADRN Cc1nc(SCCCc2ccccc2)[nH]c1C ZINC000549409787 325502336 /nfs/dbraw/zinc/50/23/36/325502336.db2.gz ZWWVUMOZWQPSDI-UHFFFAOYSA-N 0 0 246.379 3.751 20 0 BHADRN CCc1oncc1NCC[C@@H](C)c1ccccc1 ZINC000549424283 325502814 /nfs/dbraw/zinc/50/28/14/325502814.db2.gz DPFYCYCIRKPKAK-GFCCVEGCSA-N 0 0 244.338 3.843 20 0 BHADRN CCc1oncc1NCC[C@H](C)c1ccccc1 ZINC000549424287 388580359 /nfs/dbraw/zinc/58/03/59/388580359.db2.gz DPFYCYCIRKPKAK-LBPRGKRZSA-N 0 0 244.338 3.843 20 0 BHADRN Cc1cccc(CSc2ccncc2C)c1 ZINC000549425690 325502767 /nfs/dbraw/zinc/50/27/67/325502767.db2.gz KISJXBALTHYCBD-UHFFFAOYSA-N 0 0 229.348 3.991 20 0 BHADRN c1ccc2c(c1)CCC[C@H]2SC[C@@H]1CCCO1 ZINC000549459279 388581547 /nfs/dbraw/zinc/58/15/47/388581547.db2.gz GQDJRWJFXKPWSU-DZGCQCFKSA-N 0 0 248.391 3.976 20 0 BHADRN c1ccc2c(c1)CCC[C@@H]2SC[C@H]1CCCO1 ZINC000549459280 325503636 /nfs/dbraw/zinc/50/36/36/325503636.db2.gz GQDJRWJFXKPWSU-HIFRSBDPSA-N 0 0 248.391 3.976 20 0 BHADRN c1ccc2c(c1)CCC[C@H]2SC[C@H]1CCCO1 ZINC000549459281 325503609 /nfs/dbraw/zinc/50/36/09/325503609.db2.gz GQDJRWJFXKPWSU-UKRRQHHQSA-N 0 0 248.391 3.976 20 0 BHADRN c1ccc2c(c1)CCC[C@@H]2SC[C@@H]1CCCO1 ZINC000549459282 388581687 /nfs/dbraw/zinc/58/16/87/388581687.db2.gz GQDJRWJFXKPWSU-ZFWWWQNUSA-N 0 0 248.391 3.976 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1nccc(C(C)(C)C)n1 ZINC000549514092 388582020 /nfs/dbraw/zinc/58/20/20/388582020.db2.gz RNPLRFXQYWREPH-NEPJUHHUSA-N 0 0 247.386 3.541 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1nccc(C(C)(C)C)n1 ZINC000549514093 388582222 /nfs/dbraw/zinc/58/22/22/388582222.db2.gz RNPLRFXQYWREPH-NWDGAFQWSA-N 0 0 247.386 3.541 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1nccc(C(C)(C)C)n1 ZINC000549514094 388581962 /nfs/dbraw/zinc/58/19/62/388581962.db2.gz RNPLRFXQYWREPH-RYUDHWBXSA-N 0 0 247.386 3.541 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1nccc(C(C)(C)C)n1 ZINC000549514095 325505734 /nfs/dbraw/zinc/50/57/34/325505734.db2.gz RNPLRFXQYWREPH-VXGBXAGGSA-N 0 0 247.386 3.541 20 0 BHADRN CCc1ccc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)nc1 ZINC000549545506 388584742 /nfs/dbraw/zinc/58/47/42/388584742.db2.gz XIWWLNQGAGLOGC-CYBMUJFWSA-N 0 0 246.398 3.512 20 0 BHADRN CCc1ccc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)nc1 ZINC000549545507 388584015 /nfs/dbraw/zinc/58/40/15/388584015.db2.gz XIWWLNQGAGLOGC-ZDUSSCGKSA-N 0 0 246.398 3.512 20 0 BHADRN c1ccc2oc(N3CC4(C3)CCCCC4)nc2c1 ZINC000549581673 325509016 /nfs/dbraw/zinc/50/90/16/325509016.db2.gz UQTFIYVHWALWSS-UHFFFAOYSA-N 0 0 242.322 3.598 20 0 BHADRN C[C@@H](N(C)C(=O)CC(C)(C)C1CC1)C(C)(C)C ZINC000549601004 388585329 /nfs/dbraw/zinc/58/53/29/388585329.db2.gz BNHIXVQKHHJUCT-LLVKDONJSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](N(C)C(=O)CC(C)(C)C1CC1)C(C)(C)C ZINC000549601005 325509781 /nfs/dbraw/zinc/50/97/81/325509781.db2.gz BNHIXVQKHHJUCT-NSHDSACASA-N 0 0 239.403 3.706 20 0 BHADRN C[C@]1(C(=O)NCCCC2CCCC2)C[C@H]2C[C@H]2C1 ZINC000549605377 325509989 /nfs/dbraw/zinc/50/99/89/325509989.db2.gz TWNFZZCPHIIXIV-FOLVSLTJSA-N 0 0 249.398 3.509 20 0 BHADRN Cc1ccc(SC[C@H]2CCC(F)(F)C2)nc1 ZINC000549623002 388585268 /nfs/dbraw/zinc/58/52/68/388585268.db2.gz HRFDWPKTKVHFJS-JTQLQIEISA-N 0 0 243.322 3.918 20 0 BHADRN Cc1ccc(SC[C@@H]2CCC(F)(F)C2)nc1 ZINC000549623003 325510328 /nfs/dbraw/zinc/51/03/28/325510328.db2.gz HRFDWPKTKVHFJS-SNVBAGLBSA-N 0 0 243.322 3.918 20 0 BHADRN c1cnn(CSc2ccc3ccccc3c2)c1 ZINC000549624453 325510373 /nfs/dbraw/zinc/51/03/73/325510373.db2.gz CHWITKDXIOZPRN-UHFFFAOYSA-N 0 0 240.331 3.786 20 0 BHADRN Cc1cc(SCC2CC2)n(-c2ccccc2)n1 ZINC000549626650 325510500 /nfs/dbraw/zinc/51/05/00/325510500.db2.gz NTBZOXGVXLHMNA-UHFFFAOYSA-N 0 0 244.363 3.683 20 0 BHADRN Cc1cnc(S[C@@H]2C=CCCCCC2)nc1 ZINC000549629187 325510422 /nfs/dbraw/zinc/51/04/22/325510422.db2.gz VPKRVRBPEIYJKC-GFCCVEGCSA-N 0 0 234.368 3.766 20 0 BHADRN Cc1cnc(S[C@H]2C=CCCCCC2)nc1 ZINC000549629188 325510335 /nfs/dbraw/zinc/51/03/35/325510335.db2.gz VPKRVRBPEIYJKC-LBPRGKRZSA-N 0 0 234.368 3.766 20 0 BHADRN CC1=CCCN(Cc2cccc(F)c2Cl)C1 ZINC000549674665 388587127 /nfs/dbraw/zinc/58/71/27/388587127.db2.gz QKRPDTSIMNDWEI-UHFFFAOYSA-N 0 0 239.721 3.631 20 0 BHADRN COc1ccc(F)c(CNc2ccccc2C)c1 ZINC000549709758 388588435 /nfs/dbraw/zinc/58/84/35/388588435.db2.gz QURFJDVKECXTKB-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(F)c(CNc2cccc(C)c2)c1 ZINC000549711522 325512940 /nfs/dbraw/zinc/51/29/40/325512940.db2.gz NSVAIEIIAHPDQR-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN CCc1nocc1CNc1cccc(C(C)C)c1 ZINC000549711647 388588478 /nfs/dbraw/zinc/58/84/78/388588478.db2.gz RBQMDCXGYBWNBA-UHFFFAOYSA-N 0 0 244.338 3.973 20 0 BHADRN C[C@H](C1CC1)N(C(=O)CC(C)(C)C1CC1)C1CC1 ZINC000549722562 325513376 /nfs/dbraw/zinc/51/33/76/325513376.db2.gz IZNUEUYHPMHKFD-LLVKDONJSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H](C1CC1)N(C(=O)CC(C)(C)C1CC1)C1CC1 ZINC000549722564 325513263 /nfs/dbraw/zinc/51/32/63/325513263.db2.gz IZNUEUYHPMHKFD-NSHDSACASA-N 0 0 249.398 3.602 20 0 BHADRN CCCCN(CCCC)C(=O)[C@@H](C)C(C)(F)F ZINC000549745696 325514214 /nfs/dbraw/zinc/51/42/14/325514214.db2.gz GYVJWNSKWKAAAO-LLVKDONJSA-N 0 0 249.345 3.707 20 0 BHADRN CCCCN(CCCC)C(=O)[C@H](C)C(C)(F)F ZINC000549745697 325514232 /nfs/dbraw/zinc/51/42/32/325514232.db2.gz GYVJWNSKWKAAAO-NSHDSACASA-N 0 0 249.345 3.707 20 0 BHADRN CCCC(CCC)SCc1nccc(C)n1 ZINC000549777011 325515467 /nfs/dbraw/zinc/51/54/67/325515467.db2.gz AJIAIXSLMLRXPD-UHFFFAOYSA-N 0 0 238.400 3.987 20 0 BHADRN CCc1nocc1CNc1ccc(CC)c(C)c1 ZINC000549780853 388591665 /nfs/dbraw/zinc/59/16/65/388591665.db2.gz UYLSKDISLBWJFG-UHFFFAOYSA-N 0 0 244.338 3.720 20 0 BHADRN CCc1nocc1CNc1ccc(C)c(CC)c1 ZINC000549804418 388591415 /nfs/dbraw/zinc/59/14/15/388591415.db2.gz GRFNBLRUROQTRX-UHFFFAOYSA-N 0 0 244.338 3.720 20 0 BHADRN CC(C)=CCSc1ncnc2sccc21 ZINC000549805617 388591363 /nfs/dbraw/zinc/59/13/63/388591363.db2.gz CNAGDNJTTPNXGB-UHFFFAOYSA-N 0 0 236.365 3.750 20 0 BHADRN CCc1oncc1NCc1ccc(C(C)C)cc1 ZINC000549822397 325516881 /nfs/dbraw/zinc/51/68/81/325516881.db2.gz QVRNPLANGTZBRQ-UHFFFAOYSA-N 0 0 244.338 3.973 20 0 BHADRN CCc1oncc1NCc1c(C)cc(C)cc1C ZINC000549822801 388592854 /nfs/dbraw/zinc/59/28/54/388592854.db2.gz UENWHJDYPXZUGP-UHFFFAOYSA-N 0 0 244.338 3.774 20 0 BHADRN CCN(c1nc2ccccc2o1)C1CCCC1 ZINC000549865802 388594139 /nfs/dbraw/zinc/59/41/39/388594139.db2.gz DOMCKAURRTWEJK-UHFFFAOYSA-N 0 0 230.311 3.597 20 0 BHADRN CCCC(C)(C)NC(=O)[C@H]1CC2CCC1CC2 ZINC000549901396 325518435 /nfs/dbraw/zinc/51/84/35/325518435.db2.gz AUJQIWCQKFDTMA-BPCQOVAHSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC(C)(C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC000549901397 325518687 /nfs/dbraw/zinc/51/86/87/325518687.db2.gz AUJQIWCQKFDTMA-WXRRBKDZSA-N 0 0 237.387 3.508 20 0 BHADRN CC1=CCN(Cc2cccc(F)c2Cl)CC1 ZINC000549921804 388594577 /nfs/dbraw/zinc/59/45/77/388594577.db2.gz MLVZTWVGCDASGF-UHFFFAOYSA-N 0 0 239.721 3.631 20 0 BHADRN C[C@@H](c1cccc(Cl)c1F)N1C[C@@H](C)[C@H]1C ZINC000549931450 388595897 /nfs/dbraw/zinc/59/58/97/388595897.db2.gz PXZOATUPSRRODD-BBBLOLIVSA-N 0 0 241.737 3.880 20 0 BHADRN C[C@H](c1cccc(Cl)c1F)N1C[C@@H](C)[C@@H]1C ZINC000549931472 388595458 /nfs/dbraw/zinc/59/54/58/388595458.db2.gz PXZOATUPSRRODD-KXUCPTDWSA-N 0 0 241.737 3.880 20 0 BHADRN C[C@H](c1cccc(Cl)c1F)N1C[C@@H](C)[C@H]1C ZINC000549931474 388595573 /nfs/dbraw/zinc/59/55/73/388595573.db2.gz PXZOATUPSRRODD-OPRDCNLKSA-N 0 0 241.737 3.880 20 0 BHADRN C[C@@H](c1cccc(Cl)c1F)N1C[C@@H](C)[C@@H]1C ZINC000549931477 388595790 /nfs/dbraw/zinc/59/57/90/388595790.db2.gz PXZOATUPSRRODD-UTLUCORTSA-N 0 0 241.737 3.880 20 0 BHADRN Cc1cccc2c1N(Cc1cccc(F)c1)CC2 ZINC000549933824 325520122 /nfs/dbraw/zinc/52/01/22/325520122.db2.gz DLWOASNFUGUTOY-UHFFFAOYSA-N 0 0 241.309 3.697 20 0 BHADRN CCCCSC[C@@H](OC)c1ccccc1 ZINC000549943594 325520314 /nfs/dbraw/zinc/52/03/14/325520314.db2.gz IJKGXAYABYFXIA-CYBMUJFWSA-N 0 0 224.369 3.907 20 0 BHADRN CCCCSC[C@H](OC)c1ccccc1 ZINC000549943595 325520457 /nfs/dbraw/zinc/52/04/57/325520457.db2.gz IJKGXAYABYFXIA-ZDUSSCGKSA-N 0 0 224.369 3.907 20 0 BHADRN CC[C@@H](F)CSC[C@@H](OC)c1ccccc1 ZINC000549943675 325520551 /nfs/dbraw/zinc/52/05/51/325520551.db2.gz CHCMPKPWYDSCKF-CHWSQXEVSA-N 0 0 242.359 3.855 20 0 BHADRN CC[C@@H](F)CSC[C@H](OC)c1ccccc1 ZINC000549943676 388595611 /nfs/dbraw/zinc/59/56/11/388595611.db2.gz CHCMPKPWYDSCKF-OLZOCXBDSA-N 0 0 242.359 3.855 20 0 BHADRN CC[C@H](F)CSC[C@@H](OC)c1ccccc1 ZINC000549943677 325520506 /nfs/dbraw/zinc/52/05/06/325520506.db2.gz CHCMPKPWYDSCKF-QWHCGFSZSA-N 0 0 242.359 3.855 20 0 BHADRN CC[C@H](F)CSC[C@H](OC)c1ccccc1 ZINC000549943678 325520542 /nfs/dbraw/zinc/52/05/42/325520542.db2.gz CHCMPKPWYDSCKF-STQMWFEESA-N 0 0 242.359 3.855 20 0 BHADRN CCCCCN(C)Cc1c(F)cccc1F ZINC000549947547 388595228 /nfs/dbraw/zinc/59/52/28/388595228.db2.gz USXDGTUVLBOELG-UHFFFAOYSA-N 0 0 227.298 3.587 20 0 BHADRN COc1cc(CSc2cccc(C)c2)ccn1 ZINC000549958003 325520364 /nfs/dbraw/zinc/52/03/64/325520364.db2.gz KRWHYWHDGFFRKY-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN CC(C)c1ccc(SCc2ccn(C)n2)cc1 ZINC000550006607 388597100 /nfs/dbraw/zinc/59/71/00/388597100.db2.gz HSWNIVJKFIFYNZ-UHFFFAOYSA-N 0 0 246.379 3.836 20 0 BHADRN COc1ccccc1SCC1(C)CCC1 ZINC000550013817 388596732 /nfs/dbraw/zinc/59/67/32/388596732.db2.gz ISUITYVGGQWPKW-UHFFFAOYSA-N 0 0 222.353 3.978 20 0 BHADRN C[C@@H](c1cccc(Cl)c1)N1CCC[C@H]1CF ZINC000550028179 388596189 /nfs/dbraw/zinc/59/61/89/388596189.db2.gz DEUVETVUJGYLGJ-GWCFXTLKSA-N 0 0 241.737 3.835 20 0 BHADRN C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H]1CF ZINC000550028180 388596959 /nfs/dbraw/zinc/59/69/59/388596959.db2.gz DEUVETVUJGYLGJ-GXFFZTMASA-N 0 0 241.737 3.835 20 0 BHADRN C[C@H](c1cccc(Cl)c1)N1CCC[C@H]1CF ZINC000550028181 388596824 /nfs/dbraw/zinc/59/68/24/388596824.db2.gz DEUVETVUJGYLGJ-MFKMUULPSA-N 0 0 241.737 3.835 20 0 BHADRN C[C@H](c1cccc(Cl)c1)N1CCC[C@@H]1CF ZINC000550028182 388597016 /nfs/dbraw/zinc/59/70/16/388597016.db2.gz DEUVETVUJGYLGJ-ZWNOBZJWSA-N 0 0 241.737 3.835 20 0 BHADRN C[C@@H]1CN(Cc2ccc(F)cc2)c2ccccc21 ZINC000550032446 325522005 /nfs/dbraw/zinc/52/20/05/325522005.db2.gz STHZEEVWJCHNKF-GFCCVEGCSA-N 0 0 241.309 3.949 20 0 BHADRN Cc1cccc(COc2ccc(Cl)c(C)c2)n1 ZINC000550113189 388600040 /nfs/dbraw/zinc/60/00/40/388600040.db2.gz QXWSVESQQMEYGM-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN CC(C)OC(=O)c1cc(F)c2ccccc2c1 ZINC000550153671 388600418 /nfs/dbraw/zinc/60/04/18/388600418.db2.gz DFJJQJNWKGPZEG-UHFFFAOYSA-N 0 0 232.254 3.544 20 0 BHADRN CC(C)Oc1cccc(OCCC(F)(F)F)c1 ZINC000550153818 388600791 /nfs/dbraw/zinc/60/07/91/388600791.db2.gz ZMPLESLPEGSLMZ-UHFFFAOYSA-N 0 0 248.244 3.805 20 0 BHADRN Cc1ccc(C(C)C)c(OCC2CCOCC2)c1 ZINC000550169567 325525390 /nfs/dbraw/zinc/52/53/90/325525390.db2.gz CDXGJQODNPZMPV-UHFFFAOYSA-N 0 0 248.366 3.924 20 0 BHADRN C/C=C/c1ccc(NCc2conc2CC)cc1 ZINC000550216656 388602639 /nfs/dbraw/zinc/60/26/39/388602639.db2.gz DRGAGLJGEOAAKU-HWKANZROSA-N 0 0 242.322 3.882 20 0 BHADRN C/C=C\c1ccc(NCc2conc2CC)cc1 ZINC000550216664 325525718 /nfs/dbraw/zinc/52/57/18/325525718.db2.gz DRGAGLJGEOAAKU-HYXAFXHYSA-N 0 0 242.322 3.882 20 0 BHADRN CC[C@@H](C)Oc1cccc(NCC2(F)CC2)c1 ZINC000550240234 388602328 /nfs/dbraw/zinc/60/23/28/388602328.db2.gz QXANYMLRYWLGEC-LLVKDONJSA-N 0 0 237.318 3.778 20 0 BHADRN CC[C@H](C)Oc1cccc(NCC2(F)CC2)c1 ZINC000550240235 325526712 /nfs/dbraw/zinc/52/67/12/325526712.db2.gz QXANYMLRYWLGEC-NSHDSACASA-N 0 0 237.318 3.778 20 0 BHADRN CC(F)(F)CNCc1ccc(C2CCC2)cc1 ZINC000550259209 388603570 /nfs/dbraw/zinc/60/35/70/388603570.db2.gz PMAAEGNOSGARHL-UHFFFAOYSA-N 0 0 239.309 3.699 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000550263445 325527701 /nfs/dbraw/zinc/52/77/01/325527701.db2.gz MXNHDXMDPYEAGE-APIJFGDWSA-N 0 0 249.398 3.508 20 0 BHADRN CCC[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000550263446 325527456 /nfs/dbraw/zinc/52/74/56/325527456.db2.gz MXNHDXMDPYEAGE-LJISPDSOSA-N 0 0 249.398 3.508 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000550263447 388603481 /nfs/dbraw/zinc/60/34/81/388603481.db2.gz MXNHDXMDPYEAGE-XGUBFFRZSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)c1ccoc1C(=O)N1CC[C@@H](C(C)C)C1 ZINC000550272672 325527451 /nfs/dbraw/zinc/52/74/51/325527451.db2.gz PCYUCTVNEMJYBX-GFCCVEGCSA-N 0 0 249.354 3.521 20 0 BHADRN CC(C)c1ccoc1C(=O)N1CC[C@H](C(C)C)C1 ZINC000550272687 388604396 /nfs/dbraw/zinc/60/43/96/388604396.db2.gz PCYUCTVNEMJYBX-LBPRGKRZSA-N 0 0 249.354 3.521 20 0 BHADRN c1cc([C@H]2CCOC2)ccc1NCC1CCCC1 ZINC000550292004 325527953 /nfs/dbraw/zinc/52/79/53/325527953.db2.gz NSCHACKQMYBLMH-HNNXBMFYSA-N 0 0 245.366 3.793 20 0 BHADRN c1cc([C@@H]2CCOC2)ccc1NCC1CCCC1 ZINC000550292005 325528081 /nfs/dbraw/zinc/52/80/81/325528081.db2.gz NSCHACKQMYBLMH-OAHLLOKOSA-N 0 0 245.366 3.793 20 0 BHADRN CC[C@@H](NC(=O)CC1CC(C)(C)C1)C(C)(C)C ZINC000550353782 388606873 /nfs/dbraw/zinc/60/68/73/388606873.db2.gz XBFZEGCWXMLAMZ-GFCCVEGCSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](NC(=O)CC1CC(C)(C)C1)C(C)(C)C ZINC000550353783 388606736 /nfs/dbraw/zinc/60/67/36/388606736.db2.gz XBFZEGCWXMLAMZ-LBPRGKRZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CCCNC(=O)C(C)(C)C(C)(C)C ZINC000550359636 388606794 /nfs/dbraw/zinc/60/67/94/388606794.db2.gz XWIZKLCHKBKAKS-UHFFFAOYSA-N 0 0 227.392 3.611 20 0 BHADRN COCCCCN(C)c1cc(Cl)ccc1C ZINC000550387218 325530156 /nfs/dbraw/zinc/53/01/56/325530156.db2.gz MCWZXNFYOLABRU-UHFFFAOYSA-N 0 0 241.762 3.511 20 0 BHADRN C[C@H](c1ccccc1Cl)N1CCC[C@@H]1CF ZINC000550393012 388607179 /nfs/dbraw/zinc/60/71/79/388607179.db2.gz QPCFGRFXFDZKIK-GHMZBOCLSA-N 0 0 241.737 3.835 20 0 BHADRN C[C@H](c1ccccc1Cl)N1CCC[C@H]1CF ZINC000550393039 388607465 /nfs/dbraw/zinc/60/74/65/388607465.db2.gz QPCFGRFXFDZKIK-MNOVXSKESA-N 0 0 241.737 3.835 20 0 BHADRN C[C@@H](c1ccccc1Cl)N1CCC[C@H]1CF ZINC000550393041 388607400 /nfs/dbraw/zinc/60/74/00/388607400.db2.gz QPCFGRFXFDZKIK-QWRGUYRKSA-N 0 0 241.737 3.835 20 0 BHADRN C[C@@H](c1ccccc1Cl)N1CCC[C@@H]1CF ZINC000550393043 388607546 /nfs/dbraw/zinc/60/75/46/388607546.db2.gz QPCFGRFXFDZKIK-WDEREUQCSA-N 0 0 241.737 3.835 20 0 BHADRN CCC(=O)N[C@@H](CC)C12CC3CC(CC(C3)C1)C2 ZINC000550408142 388608043 /nfs/dbraw/zinc/60/80/43/388608043.db2.gz LGOHCYNYRVDYJN-IXUJDMMCSA-N 0 0 249.398 3.508 20 0 BHADRN CCC(=O)N[C@H](CC)C12CC3CC(CC(C3)C1)C2 ZINC000550408143 325530778 /nfs/dbraw/zinc/53/07/78/325530778.db2.gz LGOHCYNYRVDYJN-MHCOZEDOSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](NC(=O)CC(C)(C)C1CC1)c1ccccc1 ZINC000550412308 325530661 /nfs/dbraw/zinc/53/06/61/325530661.db2.gz KAHXGXIFVWNFPX-LBPRGKRZSA-N 0 0 245.366 3.690 20 0 BHADRN C[C@H](NC(=O)C(C)(C)C(C)(C)C)c1ccccc1 ZINC000550412630 325531304 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/nfs/dbraw/zinc/54/65/09/325546509.db2.gz JDFBWSLGVPKKSK-DTWKUNHWSA-N 0 0 222.332 3.517 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(C(C)(C)C(C)(C)C)n1 ZINC000551016029 325546510 /nfs/dbraw/zinc/54/65/10/325546510.db2.gz JDFBWSLGVPKKSK-IUCAKERBSA-N 0 0 222.332 3.517 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(C(C)(C)C(C)(C)C)n1 ZINC000551016030 388620440 /nfs/dbraw/zinc/62/04/40/388620440.db2.gz JDFBWSLGVPKKSK-RKDXNWHRSA-N 0 0 222.332 3.517 20 0 BHADRN C[C@H](c1noc([C@]2(C)C[C@H]3C[C@H]3C2)n1)C(C)(C)C ZINC000551016565 388620322 /nfs/dbraw/zinc/62/03/22/388620322.db2.gz PAALCGSFPVAEGR-YYHMBLRTSA-N 0 0 248.370 3.907 20 0 BHADRN C[C@@H](c1noc([C@]2(C)C[C@H]3C[C@H]3C2)n1)C(C)(C)C ZINC000551016566 325546494 /nfs/dbraw/zinc/54/64/94/325546494.db2.gz PAALCGSFPVAEGR-ZVXAKGHKSA-N 0 0 248.370 3.907 20 0 BHADRN CC(C)(C)c1noc(C(F)=C2CCCC2)n1 ZINC000551031592 325546427 /nfs/dbraw/zinc/54/64/27/325546427.db2.gz DRHQEOVWAYQKDU-UHFFFAOYSA-N 0 0 224.279 3.622 20 0 BHADRN C[C@H](CC(C)(C)C)c1nc(-c2ccco2)no1 ZINC000551035893 388619821 /nfs/dbraw/zinc/61/98/21/388619821.db2.gz LVMZHSMMLGFSHO-SECBINFHSA-N 0 0 234.299 3.869 20 0 BHADRN C[C@@H](CC(C)(C)C)c1nc(-c2ccco2)no1 ZINC000551035898 325546786 /nfs/dbraw/zinc/54/67/86/325546786.db2.gz LVMZHSMMLGFSHO-VIFPVBQESA-N 0 0 234.299 3.869 20 0 BHADRN Cc1ccc(C)c(SCCOCC(F)F)c1 ZINC000551041382 388619963 /nfs/dbraw/zinc/61/99/63/388619963.db2.gz PWDNGKIRTOKQHP-UHFFFAOYSA-N 0 0 246.322 3.677 20 0 BHADRN CC(C)(C)CCSc1nnc(C(C)(C)C)[nH]1 ZINC000551048224 388619926 /nfs/dbraw/zinc/61/99/26/388619926.db2.gz ZQSIPCTYAPSEQE-UHFFFAOYSA-N 0 0 241.404 3.631 20 0 BHADRN Cc1ccc(-c2nc(-c3ccco3)no2)c(C)c1 ZINC000551049615 388620550 /nfs/dbraw/zinc/62/05/50/388620550.db2.gz HWPZRRHGHLVWMF-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN CC1(c2nc(-c3ccco3)no2)CCCCCC1 ZINC000551049993 388620802 /nfs/dbraw/zinc/62/08/02/388620802.db2.gz NELHFNJOTFKYPJ-UHFFFAOYSA-N 0 0 246.310 3.942 20 0 BHADRN CC(C)n1ccnc1SCCC(C)(C)C ZINC000551059180 325548021 /nfs/dbraw/zinc/54/80/21/325548021.db2.gz 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Cc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c1 ZINC000551095428 325548204 /nfs/dbraw/zinc/54/82/04/325548204.db2.gz ISRLTWLIALPHDC-TZMCWYRMSA-N 0 0 229.323 3.536 20 0 BHADRN CCOCCSC(C)(C)c1ccccc1 ZINC000551097170 325548412 /nfs/dbraw/zinc/54/84/12/325548412.db2.gz BVNFBIBPRVOEPT-UHFFFAOYSA-N 0 0 224.369 3.691 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C)cc1F ZINC000551097535 388622028 /nfs/dbraw/zinc/62/20/28/388622028.db2.gz LBALXMZRWVVWLT-ZWNOBZJWSA-N 0 0 247.313 3.675 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2CC=CC[C@H]2C)c1 ZINC000551097877 388621289 /nfs/dbraw/zinc/62/12/89/388621289.db2.gz UPDNEOGTCJTVFB-TZMCWYRMSA-N 0 0 243.350 3.844 20 0 BHADRN CC[C@@H](C)c1nc(-c2ccc(F)cc2F)no1 ZINC000551103118 388621373 /nfs/dbraw/zinc/62/13/73/388621373.db2.gz ZVIMBFXPFDAPHG-SSDOTTSWSA-N 0 0 238.237 3.528 20 0 BHADRN CC[C@H](C)c1nc(-c2ccc(F)cc2F)no1 ZINC000551103119 388621458 /nfs/dbraw/zinc/62/14/58/388621458.db2.gz ZVIMBFXPFDAPHG-ZETCQYMHSA-N 0 0 238.237 3.528 20 0 BHADRN CC(C)(CC(=O)N1CCC[C@@H]2CCC[C@H]21)C1CC1 ZINC000551119188 388621173 /nfs/dbraw/zinc/62/11/73/388621173.db2.gz UKPGWFNKERPTSG-GXTWGEPZSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(CC(=O)N1CCC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000551119189 325548662 /nfs/dbraw/zinc/54/86/62/325548662.db2.gz UKPGWFNKERPTSG-JSGCOSHPSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(CC(=O)N1CCC[C@H]2CCC[C@@H]21)C1CC1 ZINC000551119190 388621471 /nfs/dbraw/zinc/62/14/71/388621471.db2.gz UKPGWFNKERPTSG-OCCSQVGLSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(CC(=O)N1CCC[C@H]2CCC[C@H]21)C1CC1 ZINC000551119191 325548655 /nfs/dbraw/zinc/54/86/55/325548655.db2.gz UKPGWFNKERPTSG-TZMCWYRMSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](C)C1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000551148177 325549039 /nfs/dbraw/zinc/54/90/39/325549039.db2.gz HTRJBSIOEKIVHM-AAVRWANBSA-N 0 0 249.398 3.530 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000551148178 325549133 /nfs/dbraw/zinc/54/91/33/325549133.db2.gz HTRJBSIOEKIVHM-QMIVOQANSA-N 0 0 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3.643 20 0 BHADRN Cc1c(N[C@@H]2CCCCC23CCCC3)cnn1C ZINC000551150499 325549066 /nfs/dbraw/zinc/54/90/66/325549066.db2.gz XHGXUARNCCDKMC-CQSZACIVSA-N 0 0 247.386 3.643 20 0 BHADRN CCC(CC)c1nc(CC2CCCC2)no1 ZINC000551154901 325549136 /nfs/dbraw/zinc/54/91/36/325549136.db2.gz BHVLPRKYPVILBT-UHFFFAOYSA-N 0 0 222.332 3.706 20 0 BHADRN Cc1ccccc1-c1nc(CC2CCCC2)no1 ZINC000551155769 388622623 /nfs/dbraw/zinc/62/26/23/388622623.db2.gz KXLSJBZVIKKXGC-UHFFFAOYSA-N 0 0 242.322 3.778 20 0 BHADRN C[C@@H](c1nc(CC2CCCC2)no1)C(C)(C)C ZINC000551155782 388622906 /nfs/dbraw/zinc/62/29/06/388622906.db2.gz LKUXBTZYTWCWLI-JTQLQIEISA-N 0 0 236.359 3.952 20 0 BHADRN C[C@H](c1nc(CC2CCCC2)no1)C(C)(C)C ZINC000551155783 388622824 /nfs/dbraw/zinc/62/28/24/388622824.db2.gz LKUXBTZYTWCWLI-SNVBAGLBSA-N 0 0 236.359 3.952 20 0 BHADRN C1=C[C@@H](Cc2nc(CC3CCCC3)no2)CCC1 ZINC000551156534 388622591 /nfs/dbraw/zinc/62/25/91/388622591.db2.gz VKVQGGPALJYRRO-CYBMUJFWSA-N 0 0 246.354 3.701 20 0 BHADRN 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388623792 /nfs/dbraw/zinc/62/37/92/388623792.db2.gz CYNCHFIYMLTNRE-WSNITJDQSA-N 0 0 231.339 3.699 20 0 BHADRN C/C=C\c1ccc(N[C@@H]2CCOC2(C)C)cc1 ZINC000551200094 325550128 /nfs/dbraw/zinc/55/01/28/325550128.db2.gz CYNCHFIYMLTNRE-ZRUQZJFASA-N 0 0 231.339 3.699 20 0 BHADRN C=Cc1ccc(C(=O)N(CC(C)C)C(C)C)cc1 ZINC000551207716 388623697 /nfs/dbraw/zinc/62/36/97/388623697.db2.gz RKOKRJQSDVSVRK-UHFFFAOYSA-N 0 0 245.366 3.836 20 0 BHADRN C=Cc1ccc(C(=O)N(CCCC)C2CC2)cc1 ZINC000551208145 388623676 /nfs/dbraw/zinc/62/36/76/388623676.db2.gz REAUFSNFIOGXCM-UHFFFAOYSA-N 0 0 243.350 3.734 20 0 BHADRN C=Cc1ccc(C(=O)N(CC2CC2)C(C)C)cc1 ZINC000551211120 325550443 /nfs/dbraw/zinc/55/04/43/325550443.db2.gz RRTDMCRQEVDYMN-UHFFFAOYSA-N 0 0 243.350 3.590 20 0 BHADRN CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CC=CC[C@H]1C ZINC000551212783 388623619 /nfs/dbraw/zinc/62/36/19/388623619.db2.gz SYRFWBSYRZJJPG-KFWWJZLASA-N 0 0 249.398 3.626 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)[C@@H]1CC=CC[C@H]1C ZINC000551212784 325550569 /nfs/dbraw/zinc/55/05/69/325550569.db2.gz SYRFWBSYRZJJPG-RBSFLKMASA-N 0 0 249.398 3.626 20 0 BHADRN CC[C@H]1CCCN(C(=O)[C@@H]2CC=CC[C@H]2C)CC1 ZINC000551215851 325550490 /nfs/dbraw/zinc/55/04/90/325550490.db2.gz ZKYQRHYTAXUZAB-QLFBSQMISA-N 0 0 249.398 3.627 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@@H]2CC=CC[C@H]2C)CC1 ZINC000551215852 325550486 /nfs/dbraw/zinc/55/04/86/325550486.db2.gz ZKYQRHYTAXUZAB-RBSFLKMASA-N 0 0 249.398 3.627 20 0 BHADRN CC[C@@H](Nc1cc(OC)c(C)c(OC)c1)C1CC1 ZINC000551228265 388623576 /nfs/dbraw/zinc/62/35/76/388623576.db2.gz DORRIVDCJNHQND-CYBMUJFWSA-N 0 0 249.354 3.613 20 0 BHADRN CC[C@H](Nc1cc(OC)c(C)c(OC)c1)C1CC1 ZINC000551228271 325550827 /nfs/dbraw/zinc/55/08/27/325550827.db2.gz DORRIVDCJNHQND-ZDUSSCGKSA-N 0 0 249.354 3.613 20 0 BHADRN CCC[C@H](C)Nc1cc(OC)c(C)c(OC)c1 ZINC000551228864 388623409 /nfs/dbraw/zinc/62/34/09/388623409.db2.gz MPITUZPYIHLZND-JTQLQIEISA-N 0 0 237.343 3.613 20 0 BHADRN CCC[C@@H](C)Nc1cc(OC)c(C)c(OC)c1 ZINC000551228865 325550785 /nfs/dbraw/zinc/55/07/85/325550785.db2.gz MPITUZPYIHLZND-SNVBAGLBSA-N 0 0 237.343 3.613 20 0 BHADRN C=Cc1ccc(C(=O)N[C@H]2CCCC2(C)C)cc1 ZINC000551237072 325550978 /nfs/dbraw/zinc/55/09/78/325550978.db2.gz KOXJFQZJGFTIKB-AWEZNQCLSA-N 0 0 243.350 3.638 20 0 BHADRN C=Cc1ccc(C(=O)N[C@@H]2CCCC2(C)C)cc1 ZINC000551237073 388624063 /nfs/dbraw/zinc/62/40/63/388624063.db2.gz KOXJFQZJGFTIKB-CQSZACIVSA-N 0 0 243.350 3.638 20 0 BHADRN CC(F)(F)CN[C@H]1CC(C)(C)Cc2occc21 ZINC000551238700 388624053 /nfs/dbraw/zinc/62/40/53/388624053.db2.gz BMMSPYCVHAFDPP-JTQLQIEISA-N 0 0 243.297 3.538 20 0 BHADRN CC(F)(F)CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000551238701 325551017 /nfs/dbraw/zinc/55/10/17/325551017.db2.gz BMMSPYCVHAFDPP-SNVBAGLBSA-N 0 0 243.297 3.538 20 0 BHADRN CC(C)(C)C(C)(C)C(=O)Nc1ccsc1 ZINC000551248125 388624872 /nfs/dbraw/zinc/62/48/72/388624872.db2.gz XZHMWJGUSCPRMP-UHFFFAOYSA-N 0 0 225.357 3.759 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@H]2NCC(C)(F)F ZINC000551255059 325551625 /nfs/dbraw/zinc/55/16/25/325551625.db2.gz MCWCUUIRLOPHNA-CMPLNLGQSA-N 0 0 239.309 3.788 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@@H]2NCC(C)(F)F ZINC000551255060 325551888 /nfs/dbraw/zinc/55/18/88/325551888.db2.gz MCWCUUIRLOPHNA-JQWIXIFHSA-N 0 0 239.309 3.788 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2NCC(C)(F)F ZINC000551255061 388624739 /nfs/dbraw/zinc/62/47/39/388624739.db2.gz MCWCUUIRLOPHNA-PWSUYJOCSA-N 0 0 239.309 3.788 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@H]2NCC(C)(F)F ZINC000551255062 325551736 /nfs/dbraw/zinc/55/17/36/325551736.db2.gz MCWCUUIRLOPHNA-ZYHUDNBSSA-N 0 0 239.309 3.788 20 0 BHADRN C[C@H](NCC(C)(F)F)c1cccc(C2CC2)c1 ZINC000551262367 388624351 /nfs/dbraw/zinc/62/43/51/388624351.db2.gz ALMQOXYBFPTMHT-JTQLQIEISA-N 0 0 239.309 3.870 20 0 BHADRN C[C@@H](NCC(C)(F)F)c1cccc(C2CC2)c1 ZINC000551262368 388624313 /nfs/dbraw/zinc/62/43/13/388624313.db2.gz ALMQOXYBFPTMHT-SNVBAGLBSA-N 0 0 239.309 3.870 20 0 BHADRN CC(F)(F)CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000551262763 325551595 /nfs/dbraw/zinc/55/15/95/325551595.db2.gz GVWDQIKVDWPWEU-GFCCVEGCSA-N 0 0 239.309 3.654 20 0 BHADRN CC(F)(F)CN[C@H]1CC(C)(C)c2ccccc21 ZINC000551262764 388624531 /nfs/dbraw/zinc/62/45/31/388624531.db2.gz GVWDQIKVDWPWEU-LBPRGKRZSA-N 0 0 239.309 3.654 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc([C@H]2CCOC2)cc1 ZINC000551272706 325552038 /nfs/dbraw/zinc/55/20/38/325552038.db2.gz NXHDTJACMZPBOC-INWMFGNUSA-N 0 0 245.366 3.791 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc([C@H]2CCOC2)cc1 ZINC000551272707 388625100 /nfs/dbraw/zinc/62/51/00/388625100.db2.gz NXHDTJACMZPBOC-IVMMDQJWSA-N 0 0 245.366 3.791 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc([C@@H]2CCOC2)cc1 ZINC000551272708 388624886 /nfs/dbraw/zinc/62/48/86/388624886.db2.gz NXHDTJACMZPBOC-XNRPHZJLSA-N 0 0 245.366 3.791 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc([C@@H]2CCOC2)cc1 ZINC000551272709 325552066 /nfs/dbraw/zinc/55/20/66/325552066.db2.gz NXHDTJACMZPBOC-XPKDYRNWSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H]1CCC[C@H](C)N1C(=O)CC(C)(C)C1CC1 ZINC000551273570 388624356 /nfs/dbraw/zinc/62/43/56/388624356.db2.gz PYZJZPHXKMPDMI-TXEJJXNPSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CC[C@H](Nc2ccc([C@H]3CCOC3)cc2)C1 ZINC000551274208 388624694 /nfs/dbraw/zinc/62/46/94/388624694.db2.gz MCWBBPUPPBIYTP-INWMFGNUSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2ccc([C@H]3CCOC3)cc2)C1 ZINC000551274209 325552441 /nfs/dbraw/zinc/55/24/41/325552441.db2.gz MCWBBPUPPBIYTP-IVMMDQJWSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2ccc([C@@H]3CCOC3)cc2)C1 ZINC000551274210 388624379 /nfs/dbraw/zinc/62/43/79/388624379.db2.gz MCWBBPUPPBIYTP-XNRPHZJLSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H]1CC[C@H](Nc2ccc([C@@H]3CCOC3)cc2)C1 ZINC000551274211 388624974 /nfs/dbraw/zinc/62/49/74/388624974.db2.gz MCWBBPUPPBIYTP-XPKDYRNWSA-N 0 0 245.366 3.791 20 0 BHADRN CC(C)C(C)(C)NC(=O)c1ccc(Cl)cc1 ZINC000551274915 388625899 /nfs/dbraw/zinc/62/58/99/388625899.db2.gz FKOVXTUWECIFFJ-UHFFFAOYSA-N 0 0 239.746 3.504 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cccc2ocnc21 ZINC000551287000 388625644 /nfs/dbraw/zinc/62/56/44/388625644.db2.gz GAWGKRNVPGJOSQ-JTQLQIEISA-N 0 0 246.310 3.593 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cccc2ocnc21 ZINC000551287003 325553142 /nfs/dbraw/zinc/55/31/42/325553142.db2.gz GAWGKRNVPGJOSQ-SNVBAGLBSA-N 0 0 246.310 3.593 20 0 BHADRN CC(C)CCSCc1nc2ccccc2[nH]1 ZINC000551289772 325553190 /nfs/dbraw/zinc/55/31/90/325553190.db2.gz ZINQLUAXRZFNKL-UHFFFAOYSA-N 0 0 234.368 3.842 20 0 BHADRN COc1ccc(F)cc1N[C@@H]1CC=C(C)CC1 ZINC000551295847 388625709 /nfs/dbraw/zinc/62/57/09/388625709.db2.gz CUCVOQNFVDHVMR-GFCCVEGCSA-N 0 0 235.302 3.745 20 0 BHADRN COc1ccc(F)cc1N[C@H]1CC=C(C)CC1 ZINC000551295852 388625845 /nfs/dbraw/zinc/62/58/45/388625845.db2.gz CUCVOQNFVDHVMR-LBPRGKRZSA-N 0 0 235.302 3.745 20 0 BHADRN CCC[C@H]1CCCN(C(=O)[C@@H]2CC=CC[C@H]2C)C1 ZINC000551298865 325553334 /nfs/dbraw/zinc/55/33/34/325553334.db2.gz LXVDTICARWGNOP-QLFBSQMISA-N 0 0 249.398 3.627 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@@H]2CC=CC[C@H]2C)C1 ZINC000551298866 325553279 /nfs/dbraw/zinc/55/32/79/325553279.db2.gz LXVDTICARWGNOP-RBSFLKMASA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)C(C)(C)NC(=O)C[C@@H](C)c1ccccc1 ZINC000551302074 388625791 /nfs/dbraw/zinc/62/57/91/388625791.db2.gz BRFISMNTMCLRLU-CYBMUJFWSA-N 0 0 247.382 3.731 20 0 BHADRN CC(C)C(C)(C)NC(=O)C[C@H](C)c1ccccc1 ZINC000551302075 388625968 /nfs/dbraw/zinc/62/59/68/388625968.db2.gz BRFISMNTMCLRLU-ZDUSSCGKSA-N 0 0 247.382 3.731 20 0 BHADRN CC(C)C(C)(C)NC(=O)CCCc1ccccc1 ZINC000551305930 325553507 /nfs/dbraw/zinc/55/35/07/325553507.db2.gz WYRUYTLWDRAVTO-UHFFFAOYSA-N 0 0 247.382 3.560 20 0 BHADRN CC(C)c1ccoc1C(=O)NCC1CC(C)(C)C1 ZINC000551306656 388625601 /nfs/dbraw/zinc/62/56/01/388625601.db2.gz HYZPZXGRCVBNDH-UHFFFAOYSA-N 0 0 249.354 3.569 20 0 BHADRN C[C@@H](N[C@H]1CCC[C@H]1F)c1cc(F)ccc1F ZINC000551307692 325553469 /nfs/dbraw/zinc/55/34/69/325553469.db2.gz VFZIJLKCRPOYLI-WQHBLYJGSA-N 0 0 243.272 3.506 20 0 BHADRN CCc1cccc(N[C@H](C)c2ccncc2F)c1 ZINC000551315110 325554213 /nfs/dbraw/zinc/55/42/13/325554213.db2.gz OBOFWRKNZIFRLU-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN CCc1cccc(N[C@@H](C)c2ccncc2F)c1 ZINC000551315111 388626485 /nfs/dbraw/zinc/62/64/85/388626485.db2.gz OBOFWRKNZIFRLU-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccc(OCCC(F)(F)F)c(OC)c1 ZINC000551319235 388626240 /nfs/dbraw/zinc/62/62/40/388626240.db2.gz MZILHOABYNDNMD-UHFFFAOYSA-N 0 0 248.244 3.589 20 0 BHADRN CC(C)(Cc1nc(-c2ccccc2)no1)C1CC1 ZINC000551319438 388626953 /nfs/dbraw/zinc/62/69/53/388626953.db2.gz NXECPSIVYDEWLM-UHFFFAOYSA-N 0 0 242.322 3.715 20 0 BHADRN CC(C)c1noc(-c2cc(F)ccc2Cl)n1 ZINC000551321548 325554491 /nfs/dbraw/zinc/55/44/91/325554491.db2.gz CWWSNLVNENYURE-UHFFFAOYSA-N 0 0 240.665 3.653 20 0 BHADRN CCCCOCCN(C)c1cccc(C)c1C ZINC000551321556 388626298 /nfs/dbraw/zinc/62/62/98/388626298.db2.gz DFGUZVUKRINMJJ-UHFFFAOYSA-N 0 0 235.371 3.556 20 0 BHADRN Cc1cc(/C=C\c2nc(C(C)C)no2)ccc1F ZINC000551322421 388625606 /nfs/dbraw/zinc/62/56/06/388625606.db2.gz PMVKADUQJDNXGV-ALCCZGGFSA-N 0 0 246.285 3.811 20 0 BHADRN Cc1cc(/C=C/c2nc(C(C)C)no2)ccc1F ZINC000551322422 325553781 /nfs/dbraw/zinc/55/37/81/325553781.db2.gz PMVKADUQJDNXGV-FNORWQNLSA-N 0 0 246.285 3.811 20 0 BHADRN CC1=CC[C@H](Nc2cccc(CCCO)c2)CC1 ZINC000551329827 325554507 /nfs/dbraw/zinc/55/45/07/325554507.db2.gz UWWRVHALVWQCDL-HNNXBMFYSA-N 0 0 245.366 3.522 20 0 BHADRN CC1=CC[C@@H](Nc2cccc(CCCO)c2)CC1 ZINC000551329828 325554187 /nfs/dbraw/zinc/55/41/87/325554187.db2.gz UWWRVHALVWQCDL-OAHLLOKOSA-N 0 0 245.366 3.522 20 0 BHADRN CC(=O)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000551337204 388626996 /nfs/dbraw/zinc/62/69/96/388626996.db2.gz YUCUQDQJGQOQQZ-UHFFFAOYSA-N 0 0 245.709 3.965 20 0 BHADRN COC(C)(C)CCSc1ccccc1F ZINC000551339867 325554957 /nfs/dbraw/zinc/55/49/57/325554957.db2.gz MJUKMDWBSSCPPL-UHFFFAOYSA-N 0 0 228.332 3.733 20 0 BHADRN CCc1cnc(COc2ccccc2C(C)C)o1 ZINC000551361430 325555348 /nfs/dbraw/zinc/55/53/48/325555348.db2.gz BWPRFQPQUPBIDR-UHFFFAOYSA-N 0 0 245.322 3.939 20 0 BHADRN COCCc1cccc(OCCC(C)(C)C)c1 ZINC000551361768 388628334 /nfs/dbraw/zinc/62/83/34/388628334.db2.gz JNTYCCBLDSAXEI-UHFFFAOYSA-N 0 0 236.355 3.691 20 0 BHADRN COc1cc(NCCCCCF)c(C)cc1C ZINC000551362319 325555273 /nfs/dbraw/zinc/55/52/73/325555273.db2.gz SLNNRNMIFJCIPU-UHFFFAOYSA-N 0 0 239.334 3.864 20 0 BHADRN Cc1ccc(C(C)C)c(OC[C@H]2CCCOC2)c1 ZINC000551363005 325555258 /nfs/dbraw/zinc/55/52/58/325555258.db2.gz NLXBDMPARZSTKR-AWEZNQCLSA-N 0 0 248.366 3.924 20 0 BHADRN Cc1ccc(C(C)C)c(OC[C@@H]2CCCOC2)c1 ZINC000551363008 325555426 /nfs/dbraw/zinc/55/54/26/325555426.db2.gz NLXBDMPARZSTKR-CQSZACIVSA-N 0 0 248.366 3.924 20 0 BHADRN Cc1nc2c(cccc2OCC2CCCC2)o1 ZINC000551363468 388628136 /nfs/dbraw/zinc/62/81/36/388628136.db2.gz YJMDJCGIUDQDMV-UHFFFAOYSA-N 0 0 231.295 3.705 20 0 BHADRN CCOCCOc1cc(C)ccc1C(C)C ZINC000551364093 388628107 /nfs/dbraw/zinc/62/81/07/388628107.db2.gz CAYIBNNLDUBUHU-UHFFFAOYSA-N 0 0 222.328 3.534 20 0 BHADRN CCCCCOc1cccc2oc(C)nc21 ZINC000551364096 325555232 /nfs/dbraw/zinc/55/52/32/325555232.db2.gz CFXUNOWXGJZMLZ-UHFFFAOYSA-N 0 0 219.284 3.705 20 0 BHADRN Cc1nc(SCCCCCF)oc1C ZINC000551364669 388628330 /nfs/dbraw/zinc/62/83/30/388628330.db2.gz SJFBTFIXGTTZER-UHFFFAOYSA-N 0 0 217.309 3.523 20 0 BHADRN Cc1nc2c(cccc2OCCCC(C)C)o1 ZINC000551364990 388627424 /nfs/dbraw/zinc/62/74/24/388627424.db2.gz XRAIHJCJSJOPIZ-UHFFFAOYSA-N 0 0 233.311 3.951 20 0 BHADRN FCCCCCOc1ccc(F)cc1Cl ZINC000551365405 325555924 /nfs/dbraw/zinc/55/59/24/325555924.db2.gz MKQARPMIMWMZQR-UHFFFAOYSA-N 0 0 234.673 3.998 20 0 BHADRN FCCCCCN1CCCc2ccccc21 ZINC000551378970 388628355 /nfs/dbraw/zinc/62/83/55/388628355.db2.gz JCJTWAQUZWAMTD-UHFFFAOYSA-N 0 0 221.319 3.579 20 0 BHADRN C[C@H](c1nc([C@@H](C)C(C)(C)C)no1)C(C)(F)F ZINC000551381803 388627826 /nfs/dbraw/zinc/62/78/26/388627826.db2.gz ZTYGZXTXZVYRMX-HTQZYQBOSA-N 0 0 246.301 3.978 20 0 BHADRN C[C@@H](c1noc([C@@H](C)C(C)(F)F)n1)C(C)(C)C ZINC000551381804 388628011 /nfs/dbraw/zinc/62/80/11/388628011.db2.gz 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20 0 BHADRN Cc1cccnc1SCC1CCCC1 ZINC000553498545 325694248 /nfs/dbraw/zinc/69/42/48/325694248.db2.gz PNYJDFJHSDLGFC-UHFFFAOYSA-N 0 0 207.342 3.672 20 0 BHADRN Cc1cccnc1SCCOCCC(C)C ZINC000553498885 325694400 /nfs/dbraw/zinc/69/44/00/325694400.db2.gz XUKIEXZSNLAWAT-UHFFFAOYSA-N 0 0 239.384 3.545 20 0 BHADRN CC1=CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000553510776 325694626 /nfs/dbraw/zinc/69/46/26/325694626.db2.gz JRTQEYNERQPGMD-UHFFFAOYSA-N 0 0 243.137 3.545 20 0 BHADRN CC(C)(C)CCCCC(=O)N1CCCCCO1 ZINC000553520903 325695064 /nfs/dbraw/zinc/69/50/64/325695064.db2.gz RUWWTSHLQNOPHR-UHFFFAOYSA-N 0 0 241.375 3.537 20 0 BHADRN C[C@@H]1CN([C@@H]2C=CCCC2)c2ccccc21 ZINC000553544047 325695481 /nfs/dbraw/zinc/69/54/81/325695481.db2.gz HOQFUEFQTFHTLZ-CHWSQXEVSA-N 0 0 213.324 3.719 20 0 BHADRN C[C@@H]1CN([C@H]2C=CCCC2)c2ccccc21 ZINC000553544048 325695536 /nfs/dbraw/zinc/69/55/36/325695536.db2.gz HOQFUEFQTFHTLZ-OLZOCXBDSA-N 0 0 213.324 3.719 20 0 BHADRN C[C@H]1CN([C@@H]2C=CCCC2)c2ccccc21 ZINC000553544050 388781519 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243.366 3.600 20 0 BHADRN CC(C)(C)CCCCC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000553687496 325697834 /nfs/dbraw/zinc/69/78/34/325697834.db2.gz BQUINHPXKKQYHG-VXGBXAGGSA-N 0 0 243.366 3.600 20 0 BHADRN CCOC(=O)CC(C)(C)CCSCC(C)C ZINC000553717484 325698057 /nfs/dbraw/zinc/69/80/57/325698057.db2.gz FBSPKLNRJHVYMD-UHFFFAOYSA-N 0 0 246.416 3.745 20 0 BHADRN Cc1ccc(SCCOC2CCC2)c(C)c1 ZINC000553717988 325698386 /nfs/dbraw/zinc/69/83/86/325698386.db2.gz MAHJAUIFIYSFFS-UHFFFAOYSA-N 0 0 236.380 3.965 20 0 BHADRN Cc1ccc(Cl)c(OCCOC2CCC2)c1 ZINC000553718108 325698432 /nfs/dbraw/zinc/69/84/32/325698432.db2.gz RYDDGLWPCJKGMZ-UHFFFAOYSA-N 0 0 240.730 3.596 20 0 BHADRN CCCC(C)(C)CC(=O)N[C@@H]1CCC1(C)C ZINC000553720389 325698238 /nfs/dbraw/zinc/69/82/38/325698238.db2.gz BBDOTHVDNKHPDK-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(C)(C)CC(=O)N[C@H]1CCC1(C)C ZINC000553720390 388788142 /nfs/dbraw/zinc/78/81/42/388788142.db2.gz BBDOTHVDNKHPDK-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CN(C(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000553722234 388788272 /nfs/dbraw/zinc/78/82/72/388788272.db2.gz JZDPYQRQVOYHLP-AWEZNQCLSA-N 0 0 247.382 3.968 20 0 BHADRN CC(C)CN(C(=O)[C@H](C)C(C)C)c1ccccc1 ZINC000553722235 325698234 /nfs/dbraw/zinc/69/82/34/325698234.db2.gz JZDPYQRQVOYHLP-CQSZACIVSA-N 0 0 247.382 3.968 20 0 BHADRN CC1(C)CC[C@H]1NC(=O)CC1CCCCCC1 ZINC000553725334 388788175 /nfs/dbraw/zinc/78/81/75/388788175.db2.gz RXUJJJJFYUQSMD-CYBMUJFWSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CC[C@@H]1NC(=O)CC1CCCCCC1 ZINC000553725335 325698641 /nfs/dbraw/zinc/69/86/41/325698641.db2.gz RXUJJJJFYUQSMD-ZDUSSCGKSA-N 0 0 237.387 3.652 20 0 BHADRN CCCc1ccc(C(=O)N[C@H]2CCC2(C)C)cc1 ZINC000553726079 388788170 /nfs/dbraw/zinc/78/81/70/388788170.db2.gz OVTLKIMSDPALGM-AWEZNQCLSA-N 0 0 245.366 3.558 20 0 BHADRN CCCc1ccc(C(=O)N[C@@H]2CCC2(C)C)cc1 ZINC000553726082 388788357 /nfs/dbraw/zinc/78/83/57/388788357.db2.gz OVTLKIMSDPALGM-CQSZACIVSA-N 0 0 245.366 3.558 20 0 BHADRN CC1(C)CC[C@H]1NC(=O)CC1(C)CCCCC1 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LALWOXWKSZFRFZ-AWEZNQCLSA-N 0 0 247.386 3.528 20 0 BHADRN CC[C@@H](Nc1ccc(N2CCCC2)cn1)C(C)C ZINC000553804250 388791560 /nfs/dbraw/zinc/79/15/60/388791560.db2.gz LALWOXWKSZFRFZ-CQSZACIVSA-N 0 0 247.386 3.528 20 0 BHADRN c1ccc2[nH]c(CSCC3CCCC3)nc2c1 ZINC000553827177 388791365 /nfs/dbraw/zinc/79/13/65/388791365.db2.gz VJAHWFPCGKCQDM-UHFFFAOYSA-N 0 0 246.379 3.986 20 0 BHADRN CC(C)c1cc(Oc2cccc(F)c2)ncn1 ZINC000553831337 388790493 /nfs/dbraw/zinc/79/04/93/388790493.db2.gz KQDABVSXJVZEDV-UHFFFAOYSA-N 0 0 232.258 3.531 20 0 BHADRN CC(C)c1cc(SCc2ccccc2)ncn1 ZINC000553833381 325700009 /nfs/dbraw/zinc/70/00/09/325700009.db2.gz WUMWFNAEOGJTOY-UHFFFAOYSA-N 0 0 244.363 3.892 20 0 BHADRN Cc1cccnc1SCc1ccccc1F ZINC000553835526 388790964 /nfs/dbraw/zinc/79/09/64/388790964.db2.gz VSILTORGDMDHGM-UHFFFAOYSA-N 0 0 233.311 3.821 20 0 BHADRN CC/C=C\CCSc1ncccc1C ZINC000553836413 388791167 /nfs/dbraw/zinc/79/11/67/388791167.db2.gz IAXPZMBGECDCQH-PLNGDYQASA-N 0 0 207.342 3.838 20 0 BHADRN CC/C=C/CCSc1ncccc1C ZINC000553836414 388790641 /nfs/dbraw/zinc/79/06/41/388790641.db2.gz IAXPZMBGECDCQH-SNAWJCMRSA-N 0 0 207.342 3.838 20 0 BHADRN Cc1cccnc1SCc1cccc(F)c1 ZINC000553848571 325700294 /nfs/dbraw/zinc/70/02/94/325700294.db2.gz FQOQAHHNIWTOOZ-UHFFFAOYSA-N 0 0 233.311 3.821 20 0 BHADRN O=C(C1CCCCCC1)N(C1CCC1)C1CCC1 ZINC000553858431 325700362 /nfs/dbraw/zinc/70/03/62/325700362.db2.gz ZTXLDHPYHIZXSP-UHFFFAOYSA-N 0 0 249.398 3.890 20 0 BHADRN CCCC[C@@H](C)C(=O)N(C1CCC1)C1CCC1 ZINC000553858883 325700365 /nfs/dbraw/zinc/70/03/65/325700365.db2.gz OKHCXNGXGAZNAO-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN CCCC[C@H](C)C(=O)N(C1CCC1)C1CCC1 ZINC000553858884 325700416 /nfs/dbraw/zinc/70/04/16/325700416.db2.gz OKHCXNGXGAZNAO-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN CCN(CCC(C)C)c1ccccc1OC ZINC000553861163 388793628 /nfs/dbraw/zinc/79/36/28/388793628.db2.gz VUFJJDYLAAKENF-UHFFFAOYSA-N 0 0 221.344 3.568 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1ccc2[nH]nnc2c1 ZINC000553904282 388795129 /nfs/dbraw/zinc/79/51/29/388795129.db2.gz NNMHIZIIHATZQD-LLVKDONJSA-N 0 0 244.342 3.505 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1ccc2[nH]nnc2c1 ZINC000553904283 388792996 /nfs/dbraw/zinc/79/29/96/388792996.db2.gz NNMHIZIIHATZQD-NSHDSACASA-N 0 0 244.342 3.505 20 0 BHADRN COc1cccnc1N[C@H](C)CCC=C(C)C ZINC000553913317 325701339 /nfs/dbraw/zinc/70/13/39/325701339.db2.gz MZXPDIALTCDTSQ-GFCCVEGCSA-N 0 0 234.343 3.637 20 0 BHADRN COc1cccnc1N[C@@H](C)CCC=C(C)C ZINC000553913321 325701341 /nfs/dbraw/zinc/70/13/41/325701341.db2.gz MZXPDIALTCDTSQ-LBPRGKRZSA-N 0 0 234.343 3.637 20 0 BHADRN CC[C@H](C)n1nc(NC2CCC(C)CC2)cc1C ZINC000553936370 388795118 /nfs/dbraw/zinc/79/51/18/388795118.db2.gz YCJVUDWIWAKBFY-LXVYMNJGSA-N 0 0 249.402 3.575 20 0 BHADRN CC[C@@H](C)n1nc(NC2CCC(C)CC2)cc1C ZINC000553936373 325701226 /nfs/dbraw/zinc/70/12/26/325701226.db2.gz YCJVUDWIWAKBFY-MBHSVXNSSA-N 0 0 249.402 3.575 20 0 BHADRN CC[C@@H]1CCN1C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000553974063 325701763 /nfs/dbraw/zinc/70/17/63/325701763.db2.gz PNKQFVBSIXCKBK-APIJFGDWSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CCN1C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000553974064 388794436 /nfs/dbraw/zinc/79/44/36/388794436.db2.gz PNKQFVBSIXCKBK-GBJTYRQASA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CCN1C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000553974065 388795339 /nfs/dbraw/zinc/79/53/39/388795339.db2.gz PNKQFVBSIXCKBK-KBUPBQIOSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CCN1C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000553974066 388794779 /nfs/dbraw/zinc/79/47/79/388794779.db2.gz PNKQFVBSIXCKBK-LJISPDSOSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@H]1CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000553974657 388796511 /nfs/dbraw/zinc/79/65/11/388796511.db2.gz JOLMKAGPHPBRKK-AWEZNQCLSA-N 0 0 245.366 3.609 20 0 BHADRN CC[C@@H]1CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000553974660 325701783 /nfs/dbraw/zinc/70/17/83/325701783.db2.gz JOLMKAGPHPBRKK-CQSZACIVSA-N 0 0 245.366 3.609 20 0 BHADRN CC(C)n1cc(NC/C=C/c2ccccc2)cn1 ZINC000553999777 325702387 /nfs/dbraw/zinc/70/23/87/325702387.db2.gz INNMKPYBXFWCQF-RMKNXTFCSA-N 0 0 241.338 3.589 20 0 BHADRN CC(C)n1cc(NC/C=C\c2ccccc2)cn1 ZINC000553999778 388796631 /nfs/dbraw/zinc/79/66/31/388796631.db2.gz INNMKPYBXFWCQF-TWGQIWQCSA-N 0 0 241.338 3.589 20 0 BHADRN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)C1)C1CCCCC1 ZINC000554003899 325702687 /nfs/dbraw/zinc/70/26/87/325702687.db2.gz FQUUEGDZBZQQLJ-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)[C@H]1CC[C@@H](C)C1)C1CCCCC1 ZINC000554003900 388796230 /nfs/dbraw/zinc/79/62/30/388796230.db2.gz FQUUEGDZBZQQLJ-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)C1)C1CCCCC1 ZINC000554003901 325702325 /nfs/dbraw/zinc/70/23/25/325702325.db2.gz FQUUEGDZBZQQLJ-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)C1)C1CCCCC1 ZINC000554003902 325702820 /nfs/dbraw/zinc/70/28/20/325702820.db2.gz FQUUEGDZBZQQLJ-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1ccc(F)c(-c2nc(CCC(C)C)no2)c1 ZINC000554006220 388796009 /nfs/dbraw/zinc/79/60/09/388796009.db2.gz GVEZFSCGUSCUDH-UHFFFAOYSA-N 0 0 248.301 3.773 20 0 BHADRN Cc1ccsc1-c1nc(CCC(C)C)no1 ZINC000554006641 388796350 /nfs/dbraw/zinc/79/63/50/388796350.db2.gz PTKHLSAVCDQEQP-UHFFFAOYSA-N 0 0 236.340 3.695 20 0 BHADRN c1cc(-c2noc(CCC3CCCC3)n2)cs1 ZINC000554007032 388796834 /nfs/dbraw/zinc/79/68/34/388796834.db2.gz SSNAQEFFGIKNNQ-UHFFFAOYSA-N 0 0 248.351 3.921 20 0 BHADRN Cc1cccc(-c2nc(CCC(C)C)no2)c1 ZINC000554008215 388796735 /nfs/dbraw/zinc/79/67/35/388796735.db2.gz GENKESKNXZSOFS-UHFFFAOYSA-N 0 0 230.311 3.634 20 0 BHADRN C/C=C\c1ccc(NC(=O)CC(C)(F)F)cc1 ZINC000554015648 325702922 /nfs/dbraw/zinc/70/29/22/325702922.db2.gz ZXUXLCSUAARVDE-ARJAWSKDSA-N 0 0 239.265 3.704 20 0 BHADRN C/C=C/c1ccc(NC(=O)CC(C)(F)F)cc1 ZINC000554015653 325702589 /nfs/dbraw/zinc/70/25/89/325702589.db2.gz ZXUXLCSUAARVDE-ONEGZZNKSA-N 0 0 239.265 3.704 20 0 BHADRN CCCC(CCC)S[C@H](CC)C(=O)OC ZINC000554028906 388796853 /nfs/dbraw/zinc/79/68/53/388796853.db2.gz JYLJZAFFHRLLPQ-LLVKDONJSA-N 0 0 232.389 3.640 20 0 BHADRN CCCC(CCC)S[C@@H](CC)C(=O)OC ZINC000554028917 388796715 /nfs/dbraw/zinc/79/67/15/388796715.db2.gz JYLJZAFFHRLLPQ-NSHDSACASA-N 0 0 232.389 3.640 20 0 BHADRN CCc1ccc(NC(=O)N[C@@H]2CCC2(C)C)cc1 ZINC000554060663 325704083 /nfs/dbraw/zinc/70/40/83/325704083.db2.gz DPYMOATYCMIDAA-CYBMUJFWSA-N 0 0 246.354 3.559 20 0 BHADRN CCc1ccc(NC(=O)N[C@H]2CCC2(C)C)cc1 ZINC000554060668 325704163 /nfs/dbraw/zinc/70/41/63/325704163.db2.gz DPYMOATYCMIDAA-ZDUSSCGKSA-N 0 0 246.354 3.559 20 0 BHADRN CC(C)c1ccc(C(=O)N[C@H]2CCC2(C)C)cc1 ZINC000554066751 325704205 /nfs/dbraw/zinc/70/42/05/325704205.db2.gz XDHUBVCUEJNEDR-AWEZNQCLSA-N 0 0 245.366 3.728 20 0 BHADRN CC(C)c1ccc(C(=O)N[C@@H]2CCC2(C)C)cc1 ZINC000554066753 388798398 /nfs/dbraw/zinc/79/83/98/388798398.db2.gz XDHUBVCUEJNEDR-CQSZACIVSA-N 0 0 245.366 3.728 20 0 BHADRN CC1(C)CC[C@@H]1NC(=O)[C@H]1CCCCC1(C)C ZINC000554070150 388798067 /nfs/dbraw/zinc/79/80/67/388798067.db2.gz ZNKICHWMOUODLN-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN CC1(C)CC[C@H]1NC(=O)[C@@H]1CCCCC1(C)C ZINC000554070151 388797494 /nfs/dbraw/zinc/79/74/94/388797494.db2.gz ZNKICHWMOUODLN-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN CC1(C)CC[C@@H]1NC(=O)[C@@H]1CCCCC1(C)C ZINC000554070152 388797535 /nfs/dbraw/zinc/79/75/35/388797535.db2.gz ZNKICHWMOUODLN-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN CC1(C)CC[C@H]1NC(=O)[C@H]1CCCCC1(C)C ZINC000554070153 325704197 /nfs/dbraw/zinc/70/41/97/325704197.db2.gz ZNKICHWMOUODLN-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc(-c2cnco2)cc1 ZINC000554081766 325705338 /nfs/dbraw/zinc/70/53/38/325705338.db2.gz IBBPBSOITJXEAL-BXUZGUMPSA-N 0 0 242.322 3.942 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccc(-c2cnco2)cc1 ZINC000554081769 388799472 /nfs/dbraw/zinc/79/94/72/388799472.db2.gz IBBPBSOITJXEAL-FZMZJTMJSA-N 0 0 242.322 3.942 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc(-c2cnco2)cc1 ZINC000554081771 325705212 /nfs/dbraw/zinc/70/52/12/325705212.db2.gz IBBPBSOITJXEAL-RISCZKNCSA-N 0 0 242.322 3.942 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccc(-c2cnco2)cc1 ZINC000554081773 325705130 /nfs/dbraw/zinc/70/51/30/325705130.db2.gz IBBPBSOITJXEAL-SMDDNHRTSA-N 0 0 242.322 3.942 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cccc([C@@H](C)OC)c1 ZINC000554083313 388799767 /nfs/dbraw/zinc/79/97/67/388799767.db2.gz QESCLMCBKWOICJ-JMSVASOKSA-N 0 0 233.355 3.995 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cccc([C@@H](C)OC)c1 ZINC000554083314 388799245 /nfs/dbraw/zinc/79/92/45/388799245.db2.gz QESCLMCBKWOICJ-LALPHHSUSA-N 0 0 233.355 3.995 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cccc([C@H](C)OC)c1 ZINC000554083315 388799419 /nfs/dbraw/zinc/79/94/19/388799419.db2.gz QESCLMCBKWOICJ-YWPYICTPSA-N 0 0 233.355 3.995 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cccc([C@H](C)OC)c1 ZINC000554083316 388799622 /nfs/dbraw/zinc/79/96/22/388799622.db2.gz QESCLMCBKWOICJ-ZOWXZIJZSA-N 0 0 233.355 3.995 20 0 BHADRN FCCOc1cccc(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000554083439 388799904 /nfs/dbraw/zinc/79/99/04/388799904.db2.gz QZLLLFOJZXNINR-CABCVRRESA-N 0 0 249.329 3.635 20 0 BHADRN FCCOc1cccc(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000554083440 388799625 /nfs/dbraw/zinc/79/96/25/388799625.db2.gz QZLLLFOJZXNINR-GJZGRUSLSA-N 0 0 249.329 3.635 20 0 BHADRN FCCOc1cccc(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000554083441 325705472 /nfs/dbraw/zinc/70/54/72/325705472.db2.gz QZLLLFOJZXNINR-HUUCEWRRSA-N 0 0 249.329 3.635 20 0 BHADRN FCCOc1cccc(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000554083442 388798877 /nfs/dbraw/zinc/79/88/77/388798877.db2.gz QZLLLFOJZXNINR-LSDHHAIUSA-N 0 0 249.329 3.635 20 0 BHADRN CC(C)(C)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000554084595 325705342 /nfs/dbraw/zinc/70/53/42/325705342.db2.gz POFWMLXUXBTLDP-UHFFFAOYSA-N 0 0 242.322 3.912 20 0 BHADRN CCCCn1ncc(N[C@@H]2CC[C@H]2CC)c1C ZINC000554085426 325705302 /nfs/dbraw/zinc/70/53/02/325705302.db2.gz BVLCJGVGMRDNCG-CHWSQXEVSA-N 0 0 235.375 3.592 20 0 BHADRN CCCCn1ncc(N[C@H]2CC[C@H]2CC)c1C ZINC000554085427 388800010 /nfs/dbraw/zinc/80/00/10/388800010.db2.gz BVLCJGVGMRDNCG-OLZOCXBDSA-N 0 0 235.375 3.592 20 0 BHADRN CCCCn1ncc(N[C@@H]2CC[C@@H]2CC)c1C ZINC000554085428 388799833 /nfs/dbraw/zinc/79/98/33/388799833.db2.gz BVLCJGVGMRDNCG-QWHCGFSZSA-N 0 0 235.375 3.592 20 0 BHADRN CCCCn1ncc(N[C@H]2CC[C@@H]2CC)c1C ZINC000554085429 388799616 /nfs/dbraw/zinc/79/96/16/388799616.db2.gz BVLCJGVGMRDNCG-STQMWFEESA-N 0 0 235.375 3.592 20 0 BHADRN C/C=C/c1ccc(N[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000554085963 325705077 /nfs/dbraw/zinc/70/50/77/325705077.db2.gz IUCDIYCMXOZDKU-NTKLBGAHSA-N 0 0 231.339 3.699 20 0 BHADRN C/C=C/c1ccc(N[C@@H]2CCO[C@H](C)C2)cc1 ZINC000554085964 325705334 /nfs/dbraw/zinc/70/53/34/325705334.db2.gz IUCDIYCMXOZDKU-RRSPZVPKSA-N 0 0 231.339 3.699 20 0 BHADRN C/C=C\c1ccc(N[C@@H]2CCO[C@H](C)C2)cc1 ZINC000554085965 325705292 /nfs/dbraw/zinc/70/52/92/325705292.db2.gz IUCDIYCMXOZDKU-YUOQAEMBSA-N 0 0 231.339 3.699 20 0 BHADRN C/C=C\c1ccc(N[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000554085966 325705446 /nfs/dbraw/zinc/70/54/46/325705446.db2.gz IUCDIYCMXOZDKU-ZZMRCQPYSA-N 0 0 231.339 3.699 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1cccc2ccn(C)c21 ZINC000554088469 388800187 /nfs/dbraw/zinc/80/01/87/388800187.db2.gz LFZZKFWGKBNLLW-AAEUAGOBSA-N 0 0 228.339 3.779 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cccc2ccn(C)c21 ZINC000554088471 325705851 /nfs/dbraw/zinc/70/58/51/325705851.db2.gz LFZZKFWGKBNLLW-DGCLKSJQSA-N 0 0 228.339 3.779 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1cccc2ccn(C)c21 ZINC000554088473 388800228 /nfs/dbraw/zinc/80/02/28/388800228.db2.gz LFZZKFWGKBNLLW-WCQYABFASA-N 0 0 228.339 3.779 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cccc2ccn(C)c21 ZINC000554088474 388799323 /nfs/dbraw/zinc/79/93/23/388799323.db2.gz LFZZKFWGKBNLLW-YPMHNXCESA-N 0 0 228.339 3.779 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccccc1OC(F)F ZINC000554089322 325705776 /nfs/dbraw/zinc/70/57/76/325705776.db2.gz DNPQRCTXBIDFDO-NXEZZACHSA-N 0 0 241.281 3.889 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccccc1OC(F)F ZINC000554089323 388799502 /nfs/dbraw/zinc/79/95/02/388799502.db2.gz DNPQRCTXBIDFDO-UWVGGRQHSA-N 0 0 241.281 3.889 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccccc1OC(F)F ZINC000554089324 388799066 /nfs/dbraw/zinc/79/90/66/388799066.db2.gz DNPQRCTXBIDFDO-VHSXEESVSA-N 0 0 241.281 3.889 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccccc1OC(F)F ZINC000554089325 325705943 /nfs/dbraw/zinc/70/59/43/325705943.db2.gz DNPQRCTXBIDFDO-ZJUUUORDSA-N 0 0 241.281 3.889 20 0 BHADRN CCCCCC(=O)NCC(C)(C)C(C)(C)C ZINC000554097451 325707263 /nfs/dbraw/zinc/70/72/63/325707263.db2.gz KKWAJSBUDQIDGG-UHFFFAOYSA-N 0 0 227.392 3.755 20 0 BHADRN CC[C@H](Nc1ccc2cnn(CC)c2c1)C(C)C ZINC000554098542 325707134 /nfs/dbraw/zinc/70/71/34/325707134.db2.gz KKJFOJGKPLLVQS-AWEZNQCLSA-N 0 0 245.370 3.903 20 0 BHADRN CC[C@@H](Nc1ccc2cnn(CC)c2c1)C(C)C ZINC000554098543 325706862 /nfs/dbraw/zinc/70/68/62/325706862.db2.gz KKJFOJGKPLLVQS-CQSZACIVSA-N 0 0 245.370 3.903 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NCC(C)(C)C(C)(C)C ZINC000554098700 325706894 /nfs/dbraw/zinc/70/68/94/325706894.db2.gz QGLSJKSMEQTYHG-NEPJUHHUSA-N 0 0 241.419 3.857 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NCC(C)(C)C(C)(C)C ZINC000554098710 388801401 /nfs/dbraw/zinc/80/14/01/388801401.db2.gz QGLSJKSMEQTYHG-NWDGAFQWSA-N 0 0 241.419 3.857 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NCC(C)(C)C(C)(C)C ZINC000554098711 325707242 /nfs/dbraw/zinc/70/72/42/325707242.db2.gz QGLSJKSMEQTYHG-RYUDHWBXSA-N 0 0 241.419 3.857 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)NCC(C)(C)C(C)(C)C ZINC000554098712 325707165 /nfs/dbraw/zinc/70/71/65/325707165.db2.gz QGLSJKSMEQTYHG-VXGBXAGGSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)C(C)(C)C(=O)NCC(C)(C)C(C)(C)C ZINC000554100776 325707128 /nfs/dbraw/zinc/70/71/28/325707128.db2.gz JAJSQLGSLCKXIF-UHFFFAOYSA-N 0 0 241.419 3.857 20 0 BHADRN Cc1ccccc1C(=O)NCC(C)(C)C(C)(C)C ZINC000554101811 325706966 /nfs/dbraw/zinc/70/69/66/325706966.db2.gz XPNFMRVZGJMEIZ-UHFFFAOYSA-N 0 0 247.382 3.797 20 0 BHADRN CC(C)(C)C(C)(C)CNC(=O)CC1CCCC1 ZINC000554102310 388801341 /nfs/dbraw/zinc/80/13/41/388801341.db2.gz LLRPWETZGTVKSB-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)(C)C(C)(C)CNC(=O)C1=CCCCC1 ZINC000554102314 325707104 /nfs/dbraw/zinc/70/71/04/325707104.db2.gz LPKWHPROUKPURN-UHFFFAOYSA-N 0 0 237.387 3.675 20 0 BHADRN C[C@H](C(=O)NCC(C)(C)C(C)(C)C)C(C)(C)C ZINC000554102332 325707027 /nfs/dbraw/zinc/70/70/27/325707027.db2.gz MAQVXFGINIQSDV-LLVKDONJSA-N 0 0 241.419 3.857 20 0 BHADRN C[C@@H](C(=O)NCC(C)(C)C(C)(C)C)C(C)(C)C ZINC000554102333 388800668 /nfs/dbraw/zinc/80/06/68/388800668.db2.gz MAQVXFGINIQSDV-NSHDSACASA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)c1cccc(NC(=O)N[C@@H]2CC[C@H]2C)c1 ZINC000554108230 388801654 /nfs/dbraw/zinc/80/16/54/388801654.db2.gz BUKBSNSWNDDFRT-BXUZGUMPSA-N 0 0 246.354 3.730 20 0 BHADRN CC(C)c1cccc(NC(=O)N[C@H]2CC[C@@H]2C)c1 ZINC000554108235 388801434 /nfs/dbraw/zinc/80/14/34/388801434.db2.gz BUKBSNSWNDDFRT-FZMZJTMJSA-N 0 0 246.354 3.730 20 0 BHADRN CC(C)c1cccc(NC(=O)N[C@H]2CC[C@H]2C)c1 ZINC000554108236 325707208 /nfs/dbraw/zinc/70/72/08/325707208.db2.gz BUKBSNSWNDDFRT-RISCZKNCSA-N 0 0 246.354 3.730 20 0 BHADRN CC(C)c1cccc(NC(=O)N[C@@H]2CC[C@@H]2C)c1 ZINC000554108238 388801592 /nfs/dbraw/zinc/80/15/92/388801592.db2.gz BUKBSNSWNDDFRT-SMDDNHRTSA-N 0 0 246.354 3.730 20 0 BHADRN CC(C)Cn1cc(N[C@H]2CC[C@@H]2C(C)(C)C)cn1 ZINC000554109387 325707205 /nfs/dbraw/zinc/70/72/05/325707205.db2.gz SYTHOTWVIQUYRZ-KBPBESRZSA-N 0 0 249.402 3.776 20 0 BHADRN CC(C)Cn1cc(N[C@H]2CC[C@H]2C(C)(C)C)cn1 ZINC000554109388 388801464 /nfs/dbraw/zinc/80/14/64/388801464.db2.gz SYTHOTWVIQUYRZ-KGLIPLIRSA-N 0 0 249.402 3.776 20 0 BHADRN CC(C)Cn1cc(N[C@@H]2CC[C@@H]2C(C)(C)C)cn1 ZINC000554109389 388800825 /nfs/dbraw/zinc/80/08/25/388800825.db2.gz SYTHOTWVIQUYRZ-UONOGXRCSA-N 0 0 249.402 3.776 20 0 BHADRN CC(C)Cn1cc(N[C@@H]2CC[C@H]2C(C)(C)C)cn1 ZINC000554109390 325707034 /nfs/dbraw/zinc/70/70/34/325707034.db2.gz SYTHOTWVIQUYRZ-ZIAGYGMSSA-N 0 0 249.402 3.776 20 0 BHADRN CCOc1cccc(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000554110778 325707639 /nfs/dbraw/zinc/70/76/39/325707639.db2.gz SWEGBHKWXZUBOB-CABCVRRESA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1cccc(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000554110779 388801240 /nfs/dbraw/zinc/80/12/40/388801240.db2.gz SWEGBHKWXZUBOB-GJZGRUSLSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1cccc(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000554110780 388801284 /nfs/dbraw/zinc/80/12/84/388801284.db2.gz SWEGBHKWXZUBOB-HUUCEWRRSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1cccc(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000554110781 325707684 /nfs/dbraw/zinc/70/76/84/325707684.db2.gz SWEGBHKWXZUBOB-LSDHHAIUSA-N 0 0 231.339 3.686 20 0 BHADRN CC(C)Oc1ccc(F)cc1N[C@@H](C)C1CC1 ZINC000554114791 388801877 /nfs/dbraw/zinc/80/18/77/388801877.db2.gz VZRLMAABOOYYNG-JTQLQIEISA-N 0 0 237.318 3.823 20 0 BHADRN CC(C)Oc1ccc(F)cc1N[C@H](C)C1CC1 ZINC000554114792 325707535 /nfs/dbraw/zinc/70/75/35/325707535.db2.gz VZRLMAABOOYYNG-SNVBAGLBSA-N 0 0 237.318 3.823 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2CCC2(C)C)CCC1 ZINC000554116686 388801804 /nfs/dbraw/zinc/80/18/04/388801804.db2.gz NGTXWKOJJATIAS-GFCCVEGCSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@H]2CCC2(C)C)CCC1 ZINC000554116687 388800822 /nfs/dbraw/zinc/80/08/22/388800822.db2.gz NGTXWKOJJATIAS-LBPRGKRZSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)CC(=O)N(C1CCC1)C1CCC1 ZINC000554203617 388803218 /nfs/dbraw/zinc/80/32/18/388803218.db2.gz JMLWCHOCJLFLGI-UHFFFAOYSA-N 0 0 237.387 3.746 20 0 BHADRN CCC[C@H](C)[C@H](CC)Nc1c(C)nn(C)c1C ZINC000554349146 388809838 /nfs/dbraw/zinc/80/98/38/388809838.db2.gz KCXKPMPFOXFROW-GWCFXTLKSA-N 0 0 237.391 3.664 20 0 BHADRN CCC[C@H](C)[C@@H](CC)Nc1c(C)nn(C)c1C ZINC000554349147 325715624 /nfs/dbraw/zinc/71/56/24/325715624.db2.gz KCXKPMPFOXFROW-GXFFZTMASA-N 0 0 237.391 3.664 20 0 BHADRN CCC[C@@H](C)[C@H](CC)Nc1c(C)nn(C)c1C ZINC000554349148 325715569 /nfs/dbraw/zinc/71/55/69/325715569.db2.gz KCXKPMPFOXFROW-MFKMUULPSA-N 0 0 237.391 3.664 20 0 BHADRN CCC[C@@H](C)[C@@H](CC)Nc1c(C)nn(C)c1C ZINC000554349149 388810727 /nfs/dbraw/zinc/81/07/27/388810727.db2.gz KCXKPMPFOXFROW-ZWNOBZJWSA-N 0 0 237.391 3.664 20 0 BHADRN Cc1cc(C)cc(NC(=O)N[C@@H]2CCC2(C)C)c1 ZINC000554352091 388810826 /nfs/dbraw/zinc/81/08/26/388810826.db2.gz INJIAOALQIUWAY-CYBMUJFWSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1cc(C)cc(NC(=O)N[C@H]2CCC2(C)C)c1 ZINC000554352092 388810454 /nfs/dbraw/zinc/81/04/54/388810454.db2.gz INJIAOALQIUWAY-ZDUSSCGKSA-N 0 0 246.354 3.614 20 0 BHADRN CCC(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000554367552 388811691 /nfs/dbraw/zinc/81/16/91/388811691.db2.gz STYOEPVZDVTVEZ-UHFFFAOYSA-N 0 0 245.366 3.761 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cncc2ccccc21 ZINC000554369616 388811680 /nfs/dbraw/zinc/81/16/80/388811680.db2.gz MVAJSBHRNKKZDL-BXUZGUMPSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1cncc2ccccc21 ZINC000554369617 325716278 /nfs/dbraw/zinc/71/62/78/325716278.db2.gz MVAJSBHRNKKZDL-FZMZJTMJSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cncc2ccccc21 ZINC000554369618 388812262 /nfs/dbraw/zinc/81/22/62/388812262.db2.gz MVAJSBHRNKKZDL-RISCZKNCSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1cncc2ccccc21 ZINC000554369619 325716179 /nfs/dbraw/zinc/71/61/79/325716179.db2.gz MVAJSBHRNKKZDL-SMDDNHRTSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccccc1N1CCCC1 ZINC000554370164 325716228 /nfs/dbraw/zinc/71/62/28/325716228.db2.gz KUBSNAPJABJMJS-KBPBESRZSA-N 0 0 244.382 3.887 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccccc1N1CCCC1 ZINC000554370165 388811895 /nfs/dbraw/zinc/81/18/95/388811895.db2.gz KUBSNAPJABJMJS-KGLIPLIRSA-N 0 0 244.382 3.887 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccccc1N1CCCC1 ZINC000554370166 325716231 /nfs/dbraw/zinc/71/62/31/325716231.db2.gz KUBSNAPJABJMJS-UONOGXRCSA-N 0 0 244.382 3.887 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccccc1N1CCCC1 ZINC000554370167 325716187 /nfs/dbraw/zinc/71/61/87/325716187.db2.gz KUBSNAPJABJMJS-ZIAGYGMSSA-N 0 0 244.382 3.887 20 0 BHADRN C/C=C\c1ccc(N[C@H](COC)C(C)C)cc1 ZINC000554370360 388812399 /nfs/dbraw/zinc/81/23/99/388812399.db2.gz NFMZBPCABQPZGX-IYKSTZQJSA-N 0 0 233.355 3.803 20 0 BHADRN C/C=C/c1ccc(N[C@H](COC)C(C)C)cc1 ZINC000554370361 388811616 /nfs/dbraw/zinc/81/16/16/388811616.db2.gz NFMZBPCABQPZGX-LLYBFZRZSA-N 0 0 233.355 3.803 20 0 BHADRN C/C=C/c1ccc(N[C@@H](COC)C(C)C)cc1 ZINC000554370362 388812472 /nfs/dbraw/zinc/81/24/72/388812472.db2.gz NFMZBPCABQPZGX-NFAHFFEMSA-N 0 0 233.355 3.803 20 0 BHADRN C/C=C\c1ccc(N[C@@H](COC)C(C)C)cc1 ZINC000554370363 388811667 /nfs/dbraw/zinc/81/16/67/388811667.db2.gz NFMZBPCABQPZGX-YVACAVLKSA-N 0 0 233.355 3.803 20 0 BHADRN CCCCn1ncc(N[C@H]2CC[C@H]2C2CC2)c1C ZINC000554371285 388811859 /nfs/dbraw/zinc/81/18/59/388811859.db2.gz KMAIALHZIRBZKE-KBPBESRZSA-N 0 0 247.386 3.592 20 0 BHADRN CCCCn1ncc(N[C@H]2CC[C@@H]2C2CC2)c1C ZINC000554371286 325716506 /nfs/dbraw/zinc/71/65/06/325716506.db2.gz KMAIALHZIRBZKE-KGLIPLIRSA-N 0 0 247.386 3.592 20 0 BHADRN CCCCn1ncc(N[C@@H]2CC[C@H]2C2CC2)c1C ZINC000554371287 325716497 /nfs/dbraw/zinc/71/64/97/325716497.db2.gz KMAIALHZIRBZKE-UONOGXRCSA-N 0 0 247.386 3.592 20 0 BHADRN CCCCn1ncc(N[C@@H]2CC[C@@H]2C2CC2)c1C ZINC000554371288 325716536 /nfs/dbraw/zinc/71/65/36/325716536.db2.gz KMAIALHZIRBZKE-ZIAGYGMSSA-N 0 0 247.386 3.592 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)[C@H]2CCOC2)cc1 ZINC000554371627 388811849 /nfs/dbraw/zinc/81/18/49/388811849.db2.gz UAHCGLIJWBRAAY-VFFUXOFRSA-N 0 0 231.339 3.557 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)[C@@H]2CCOC2)cc1 ZINC000554371628 325716492 /nfs/dbraw/zinc/71/64/92/325716492.db2.gz UAHCGLIJWBRAAY-VPOWOMEUSA-N 0 0 231.339 3.557 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)[C@H]2CCOC2)cc1 ZINC000554371629 325716565 /nfs/dbraw/zinc/71/65/65/325716565.db2.gz UAHCGLIJWBRAAY-WQZXPNJLSA-N 0 0 231.339 3.557 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)[C@@H]2CCOC2)cc1 ZINC000554371630 325716528 /nfs/dbraw/zinc/71/65/28/325716528.db2.gz UAHCGLIJWBRAAY-YTRGCGJWSA-N 0 0 231.339 3.557 20 0 BHADRN C/C=C/c1ccc(N[C@@H]2CCOC[C@@H]2C)cc1 ZINC000554371655 325716502 /nfs/dbraw/zinc/71/65/02/325716502.db2.gz UIQWJIDSXPYTLA-NTKLBGAHSA-N 0 0 231.339 3.557 20 0 BHADRN C/C=C/c1ccc(N[C@@H]2CCOC[C@H]2C)cc1 ZINC000554371656 388811741 /nfs/dbraw/zinc/81/17/41/388811741.db2.gz UIQWJIDSXPYTLA-RRSPZVPKSA-N 0 0 231.339 3.557 20 0 BHADRN C/C=C\c1ccc(N[C@@H]2CCOC[C@H]2C)cc1 ZINC000554371657 388812465 /nfs/dbraw/zinc/81/24/65/388812465.db2.gz UIQWJIDSXPYTLA-YUOQAEMBSA-N 0 0 231.339 3.557 20 0 BHADRN C/C=C\c1ccc(N[C@@H]2CCOC[C@@H]2C)cc1 ZINC000554371658 325716608 /nfs/dbraw/zinc/71/66/08/325716608.db2.gz UIQWJIDSXPYTLA-ZZMRCQPYSA-N 0 0 231.339 3.557 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccc2oc(C)nc2c1 ZINC000554371983 384653952 /nfs/dbraw/zinc/65/39/52/384653952.db2.gz CFXIXZOTPVKCPR-CMPLNLGQSA-N 0 0 230.311 3.737 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccc2oc(C)nc2c1 ZINC000554371984 384652974 /nfs/dbraw/zinc/65/29/74/384652974.db2.gz CFXIXZOTPVKCPR-JQWIXIFHSA-N 0 0 230.311 3.737 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc2oc(C)nc2c1 ZINC000554371985 384653797 /nfs/dbraw/zinc/65/37/97/384653797.db2.gz CFXIXZOTPVKCPR-PWSUYJOCSA-N 0 0 230.311 3.737 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc2oc(C)nc2c1 ZINC000554371986 384653887 /nfs/dbraw/zinc/65/38/87/384653887.db2.gz CFXIXZOTPVKCPR-ZYHUDNBSSA-N 0 0 230.311 3.737 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)[C@H]2CCCO2)cc1 ZINC000554372664 388812333 /nfs/dbraw/zinc/81/23/33/388812333.db2.gz RCCVMHJAKYAOLF-BYSCNOHMSA-N 0 0 231.339 3.699 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000554372665 388811933 /nfs/dbraw/zinc/81/19/33/388811933.db2.gz RCCVMHJAKYAOLF-FWQWQBSGSA-N 0 0 231.339 3.699 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)[C@H]2CCCO2)cc1 ZINC000554372666 388811852 /nfs/dbraw/zinc/81/18/52/388811852.db2.gz RCCVMHJAKYAOLF-KUXCDZRCSA-N 0 0 231.339 3.699 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000554372667 325716495 /nfs/dbraw/zinc/71/64/95/325716495.db2.gz RCCVMHJAKYAOLF-MOEUOMFESA-N 0 0 231.339 3.699 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc2ncccc2c1 ZINC000554373892 388811879 /nfs/dbraw/zinc/81/18/79/388811879.db2.gz NDQMRQSOANEBBE-ABAIWWIYSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc2ncccc2c1 ZINC000554373893 325716568 /nfs/dbraw/zinc/71/65/68/325716568.db2.gz NDQMRQSOANEBBE-IAQYHMDHSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccc2ncccc2c1 ZINC000554373894 325716606 /nfs/dbraw/zinc/71/66/06/325716606.db2.gz NDQMRQSOANEBBE-NHYWBVRUSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccc2ncccc2c1 ZINC000554373895 388812212 /nfs/dbraw/zinc/81/22/12/388812212.db2.gz NDQMRQSOANEBBE-XHDPSFHLSA-N 0 0 226.323 3.835 20 0 BHADRN C/C=C\c1ccc(N[C@@H]2CCCOCC2)cc1 ZINC000554374584 388811956 /nfs/dbraw/zinc/81/19/56/388811956.db2.gz ZVCFWNRZGVOJGM-CTGSTSKSSA-N 0 0 231.339 3.701 20 0 BHADRN C/C=C/c1ccc(N[C@@H]2CCCOCC2)cc1 ZINC000554374585 388811942 /nfs/dbraw/zinc/81/19/42/388811942.db2.gz ZVCFWNRZGVOJGM-KWEXDPCDSA-N 0 0 231.339 3.701 20 0 BHADRN C/C=C/c1ccc(N[C@H]2CCCOCC2)cc1 ZINC000554374586 388811829 /nfs/dbraw/zinc/81/18/29/388811829.db2.gz ZVCFWNRZGVOJGM-PMUGQKEBSA-N 0 0 231.339 3.701 20 0 BHADRN C/C=C\c1ccc(N[C@H]2CCCOCC2)cc1 ZINC000554374587 388812059 /nfs/dbraw/zinc/81/20/59/388812059.db2.gz ZVCFWNRZGVOJGM-XBPVQUQDSA-N 0 0 231.339 3.701 20 0 BHADRN Cc1nc2ccc(N[C@@H]3CC[C@@H]3C3CC3)cc2o1 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C[C@H]1C[C@@H]1c1noc(-c2csc(Cl)c2)n1 ZINC000554811673 388831663 /nfs/dbraw/zinc/83/16/63/388831663.db2.gz QLOGGQDZGHWKOE-FSPLSTOPSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(-c2csc(Cl)c2)n1 ZINC000554811674 325737071 /nfs/dbraw/zinc/73/70/71/325737071.db2.gz QLOGGQDZGHWKOE-IYSWYEEDSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(-c2csc(Cl)c2)n1 ZINC000554811676 388831027 /nfs/dbraw/zinc/83/10/27/388831027.db2.gz QLOGGQDZGHWKOE-VDTYLAMSSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@H]1C[C@H]1c1noc(-c2sccc2Cl)n1 ZINC000554813865 325736699 /nfs/dbraw/zinc/73/66/99/325736699.db2.gz DWLIFRFCMKJSQA-NTSWFWBYSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(-c2sccc2Cl)n1 ZINC000554813866 325736940 /nfs/dbraw/zinc/73/69/40/325736940.db2.gz DWLIFRFCMKJSQA-PHDIDXHHSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(-c2sccc2Cl)n1 ZINC000554813867 325736906 /nfs/dbraw/zinc/73/69/06/325736906.db2.gz DWLIFRFCMKJSQA-RITPCOANSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(-c2sccc2Cl)n1 ZINC000554813868 325736771 /nfs/dbraw/zinc/73/67/71/325736771.db2.gz DWLIFRFCMKJSQA-WDSKDSINSA-N 0 0 240.715 3.575 20 0 BHADRN Cc1c(Cl)cccc1-c1nc([C@@H]2C[C@H]2C)no1 ZINC000554814267 388830995 /nfs/dbraw/zinc/83/09/95/388830995.db2.gz UGJNTSJMJPDRJN-GMSGAONNSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1c(Cl)cccc1-c1nc([C@@H]2C[C@@H]2C)no1 ZINC000554814268 388830880 /nfs/dbraw/zinc/83/08/80/388830880.db2.gz UGJNTSJMJPDRJN-OIBJUYFYSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1c(Cl)cccc1-c1nc([C@H]2C[C@H]2C)no1 ZINC000554814269 388830654 /nfs/dbraw/zinc/83/06/54/388830654.db2.gz UGJNTSJMJPDRJN-XCBNKYQSSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1c(Cl)cccc1-c1nc([C@H]2C[C@@H]2C)no1 ZINC000554814270 388831350 /nfs/dbraw/zinc/83/13/50/388831350.db2.gz UGJNTSJMJPDRJN-XVKPBYJWSA-N 0 0 248.713 3.822 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3C[C@@]3(C)C(C)C)n2)o1 ZINC000554819611 388832491 /nfs/dbraw/zinc/83/24/91/388832491.db2.gz CXCRZGSRAUPEAU-HZMBPMFUSA-N 0 0 246.310 3.788 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3C[C@]3(C)C(C)C)n2)o1 ZINC000554819614 325737663 /nfs/dbraw/zinc/73/76/63/325737663.db2.gz CXCRZGSRAUPEAU-IINYFYTJSA-N 0 0 246.310 3.788 20 0 BHADRN Cc1ccc(-c2noc([C@H]3C[C@]3(C)C(C)C)n2)o1 ZINC000554819617 388833327 /nfs/dbraw/zinc/83/33/27/388833327.db2.gz CXCRZGSRAUPEAU-QMTHXVAHSA-N 0 0 246.310 3.788 20 0 BHADRN Cc1ccc(-c2noc([C@H]3C[C@@]3(C)C(C)C)n2)o1 ZINC000554819619 325737568 /nfs/dbraw/zinc/73/75/68/325737568.db2.gz CXCRZGSRAUPEAU-YGRLFVJLSA-N 0 0 246.310 3.788 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3CCCC3(C)C)n2)o1 ZINC000554822482 325737915 /nfs/dbraw/zinc/73/79/15/325737915.db2.gz FYPRKNIJOPQPRM-JTQLQIEISA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccc(-c2noc([C@H]3CCCC3(C)C)n2)o1 ZINC000554822483 388832417 /nfs/dbraw/zinc/83/24/17/388832417.db2.gz FYPRKNIJOPQPRM-SNVBAGLBSA-N 0 0 246.310 3.932 20 0 BHADRN CCc1occc1-c1nc(CCC(C)(C)C)no1 ZINC000554838072 325737564 /nfs/dbraw/zinc/73/75/64/325737564.db2.gz XNPZPENYYGVBRN-UHFFFAOYSA-N 0 0 248.326 3.871 20 0 BHADRN CCC(C)(C)c1nc(CC2(C)CCCC2)no1 ZINC000554843158 388833903 /nfs/dbraw/zinc/83/39/03/388833903.db2.gz UTNLPLIUTOFNCF-UHFFFAOYSA-N 0 0 236.359 3.880 20 0 BHADRN CC1(Cc2noc(C[C@@H]3C=CCC3)n2)CCCC1 ZINC000554844925 325737652 /nfs/dbraw/zinc/73/76/52/325737652.db2.gz JVJVUMPYXOIDBH-GFCCVEGCSA-N 0 0 246.354 3.701 20 0 BHADRN CC1(Cc2noc(C[C@H]3C=CCC3)n2)CCCC1 ZINC000554844926 388833617 /nfs/dbraw/zinc/83/36/17/388833617.db2.gz JVJVUMPYXOIDBH-LBPRGKRZSA-N 0 0 246.354 3.701 20 0 BHADRN C[C@H](c1nc(CC2(C)CCCC2)no1)C1CC1 ZINC000554847641 388832103 /nfs/dbraw/zinc/83/21/03/388832103.db2.gz RIFPROBYHPYOAJ-JTQLQIEISA-N 0 0 234.343 3.706 20 0 BHADRN C[C@@H](c1nc(CC2(C)CCCC2)no1)C1CC1 ZINC000554847642 388833940 /nfs/dbraw/zinc/83/39/40/388833940.db2.gz RIFPROBYHPYOAJ-SNVBAGLBSA-N 0 0 234.343 3.706 20 0 BHADRN Cc1ccncc1CCCNc1ccccc1C ZINC000554858849 325738054 /nfs/dbraw/zinc/73/80/54/325738054.db2.gz ZXNWEBKOBOQMIL-UHFFFAOYSA-N 0 0 240.350 3.743 20 0 BHADRN C[C@H](CO)CSCC[C@H]1CCC[C@@H](C)C1 ZINC000554896581 388835852 /nfs/dbraw/zinc/83/58/52/388835852.db2.gz UCYSIAXDFBLNMB-JHJVBQTASA-N 0 0 230.417 3.564 20 0 BHADRN C[C@H](CO)CSCC[C@@H]1CCC[C@@H](C)C1 ZINC000554896596 388836803 /nfs/dbraw/zinc/83/68/03/388836803.db2.gz UCYSIAXDFBLNMB-UPJWGTAASA-N 0 0 230.417 3.564 20 0 BHADRN C[C@H](CO)CSCC[C@@H]1CCC[C@H](C)C1 ZINC000554896598 388836545 /nfs/dbraw/zinc/83/65/45/388836545.db2.gz UCYSIAXDFBLNMB-XQQFMLRXSA-N 0 0 230.417 3.564 20 0 BHADRN C[C@H](CO)CSCC[C@H]1CCC[C@H](C)C1 ZINC000554896600 388836038 /nfs/dbraw/zinc/83/60/38/388836038.db2.gz UCYSIAXDFBLNMB-YNEHKIRRSA-N 0 0 230.417 3.564 20 0 BHADRN CC1=C(C)CN(C(=O)CC2(C)CCCC2)CC1 ZINC000554897061 388836051 /nfs/dbraw/zinc/83/60/51/388836051.db2.gz STDHCMBEPPBDJC-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN c1coc(C[NH2+]CC2CC(c3ccccc3)C2)c1 ZINC000554922916 388836326 /nfs/dbraw/zinc/83/63/26/388836326.db2.gz XTIDGOPPVMXPIW-UHFFFAOYSA-N 0 0 241.334 3.563 20 0 BHADRN CC(C)c1ccc(NC(=O)c2cc(F)c[nH]2)cc1 ZINC000554933202 388836430 /nfs/dbraw/zinc/83/64/30/388836430.db2.gz FHBUGZQGXSYLLW-UHFFFAOYSA-N 0 0 246.285 3.530 20 0 BHADRN C[C@H](C(=O)Nc1ccc(Cl)cc1)C(C)(F)F ZINC000554933847 325740805 /nfs/dbraw/zinc/74/08/05/325740805.db2.gz HDHYZQCVEXQCGZ-SSDOTTSWSA-N 0 0 247.672 3.570 20 0 BHADRN C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)(F)F ZINC000554933853 325740603 /nfs/dbraw/zinc/74/06/03/325740603.db2.gz HDHYZQCVEXQCGZ-ZETCQYMHSA-N 0 0 247.672 3.570 20 0 BHADRN c1ccc(CSCC[C@@H]2CCCCO2)cc1 ZINC000554935392 325740771 /nfs/dbraw/zinc/74/07/71/325740771.db2.gz CKSYEHWJRZXAAU-AWEZNQCLSA-N 0 0 236.380 3.879 20 0 BHADRN c1ccc(CSCC[C@H]2CCCCO2)cc1 ZINC000554935395 325740701 /nfs/dbraw/zinc/74/07/01/325740701.db2.gz CKSYEHWJRZXAAU-CQSZACIVSA-N 0 0 236.380 3.879 20 0 BHADRN Fc1cccc(-c2cc(OCC3CC3)ccn2)c1 ZINC000554953096 325741288 /nfs/dbraw/zinc/74/12/88/325741288.db2.gz VOMSSKXCTNZQFI-UHFFFAOYSA-N 0 0 243.281 3.677 20 0 BHADRN CC(C)=CCOc1cccc(N2CCCC2)c1 ZINC000554954699 388835761 /nfs/dbraw/zinc/83/57/61/388835761.db2.gz XMBPJGRDNDAAED-UHFFFAOYSA-N 0 0 231.339 3.632 20 0 BHADRN Fc1ccccc1SCCC1CCOCC1 ZINC000554969250 325741341 /nfs/dbraw/zinc/74/13/41/325741341.db2.gz IOAPALPUPTUVQQ-UHFFFAOYSA-N 0 0 240.343 3.735 20 0 BHADRN C[C@@H]1C[C@@H](SCc2ccccc2)C[C@H](C)O1 ZINC000554969370 325741080 /nfs/dbraw/zinc/74/10/80/325741080.db2.gz LHZIDTLMSQPXDC-DABQJJPHSA-N 0 0 236.380 3.876 20 0 BHADRN C[C@@H]1C[C@H](SCc2ccccc2)C[C@H](C)O1 ZINC000554969371 325741075 /nfs/dbraw/zinc/74/10/75/325741075.db2.gz LHZIDTLMSQPXDC-IMRBUKKESA-N 0 0 236.380 3.876 20 0 BHADRN CCc1ccc(CSC2CCCC2)nc1 ZINC000554969780 388836684 /nfs/dbraw/zinc/83/66/84/388836684.db2.gz YLULDNNKCMCLMN-UHFFFAOYSA-N 0 0 221.369 3.820 20 0 BHADRN CCc1ccc(NC(=O)c2sccc2F)cc1 ZINC000554970026 388836797 /nfs/dbraw/zinc/83/67/97/388836797.db2.gz KRKWDENXJWXZHL-UHFFFAOYSA-N 0 0 249.310 3.702 20 0 BHADRN COCc1ccc(COc2ccc(F)cc2)cc1 ZINC000554970073 388836816 /nfs/dbraw/zinc/83/68/16/388836816.db2.gz OAVWPGXUACPAAE-UHFFFAOYSA-N 0 0 246.281 3.551 20 0 BHADRN CC(C)(CC(=O)NC1CCCCCC1)C1CC1 ZINC000554970084 325741593 /nfs/dbraw/zinc/74/15/93/325741593.db2.gz OSXGNRQRUUTJOY-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CCc1ccc(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)cc1 ZINC000554970235 325741712 /nfs/dbraw/zinc/74/17/12/325741712.db2.gz ZPGPKQKUCBJNRS-YWVIFJGQSA-N 0 0 243.350 3.624 20 0 BHADRN C[C@H]1CCCC[C@@H]1NC(=O)CC(C)(C)C1CC1 ZINC000554970853 388836657 /nfs/dbraw/zinc/83/66/57/388836657.db2.gz ILDSUPPPALWYHC-AAEUAGOBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC000554970854 325741709 /nfs/dbraw/zinc/74/17/09/325741709.db2.gz ILDSUPPPALWYHC-DGCLKSJQSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCCC[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC000554970856 388836762 /nfs/dbraw/zinc/83/67/62/388836762.db2.gz ILDSUPPPALWYHC-WCQYABFASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)C1CC1 ZINC000554970858 388836194 /nfs/dbraw/zinc/83/61/94/388836194.db2.gz ILDSUPPPALWYHC-YPMHNXCESA-N 0 0 237.387 3.508 20 0 BHADRN COc1ccccc1N(CC[C@@H](C)F)C(C)C ZINC000554971312 388836725 /nfs/dbraw/zinc/83/67/25/388836725.db2.gz ZPXPDKTVRKOPOV-GFCCVEGCSA-N 0 0 239.334 3.658 20 0 BHADRN COc1ccccc1N(CC[C@H](C)F)C(C)C ZINC000554971313 388836130 /nfs/dbraw/zinc/83/61/30/388836130.db2.gz ZPXPDKTVRKOPOV-LBPRGKRZSA-N 0 0 239.334 3.658 20 0 BHADRN CC(C)[C@@H]1CC[C@@H]1Nc1cc(C2CC2)ccn1 ZINC000554994685 388837279 /nfs/dbraw/zinc/83/72/79/388837279.db2.gz SJRKARBCUUXTFQ-KBPBESRZSA-N 0 0 230.355 3.806 20 0 BHADRN CC(C)[C@H]1CC[C@@H]1Nc1cc(C2CC2)ccn1 ZINC000554994687 325741702 /nfs/dbraw/zinc/74/17/02/325741702.db2.gz SJRKARBCUUXTFQ-KGLIPLIRSA-N 0 0 230.355 3.806 20 0 BHADRN CC(C)[C@@H]1CC[C@H]1Nc1cc(C2CC2)ccn1 ZINC000554994688 388837308 /nfs/dbraw/zinc/83/73/08/388837308.db2.gz SJRKARBCUUXTFQ-UONOGXRCSA-N 0 0 230.355 3.806 20 0 BHADRN CC(C)[C@H]1CC[C@H]1Nc1cc(C2CC2)ccn1 ZINC000554994689 388837342 /nfs/dbraw/zinc/83/73/42/388837342.db2.gz SJRKARBCUUXTFQ-ZIAGYGMSSA-N 0 0 230.355 3.806 20 0 BHADRN CCCC(CCC)SCCc1cnn(C)c1 ZINC000555003063 325741653 /nfs/dbraw/zinc/74/16/53/325741653.db2.gz MZOCSJMOPCNIAQ-UHFFFAOYSA-N 0 0 240.416 3.665 20 0 BHADRN CCC(CC)S[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000555003855 325742549 /nfs/dbraw/zinc/74/25/49/325742549.db2.gz KHPOXIYZVNHPKL-IAZYJMLFSA-N 0 0 216.390 3.864 20 0 BHADRN CCC(CC)S[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000555003856 325742635 /nfs/dbraw/zinc/74/26/35/325742635.db2.gz KHPOXIYZVNHPKL-PEGIJTEDSA-N 0 0 216.390 3.864 20 0 BHADRN C[C@@H]1CC[C@H](Oc2ccc(F)c(F)c2)C1 ZINC000555007127 325742722 /nfs/dbraw/zinc/74/27/22/325742722.db2.gz RQRVJOMTXMLHHF-BDAKNGLRSA-N 0 0 212.239 3.532 20 0 BHADRN C[C@H]1CC[C@@H](Oc2ccc(F)c(F)c2)C1 ZINC000555007128 325742332 /nfs/dbraw/zinc/74/23/32/325742332.db2.gz RQRVJOMTXMLHHF-DTWKUNHWSA-N 0 0 212.239 3.532 20 0 BHADRN C[C@H]1CC[C@H](Oc2ccc(F)c(F)c2)C1 ZINC000555007129 325742263 /nfs/dbraw/zinc/74/22/63/325742263.db2.gz RQRVJOMTXMLHHF-IUCAKERBSA-N 0 0 212.239 3.532 20 0 BHADRN C[C@@H]1CC[C@@H](Oc2ccc(F)c(F)c2)C1 ZINC000555007130 397987430 /nfs/dbraw/zinc/98/74/30/397987430.db2.gz RQRVJOMTXMLHHF-RKDXNWHRSA-N 0 0 212.239 3.532 20 0 BHADRN Cc1nc(S[C@@H]2CC[C@@H](C)C2)oc1C ZINC000555009583 325742531 /nfs/dbraw/zinc/74/25/31/325742531.db2.gz VHAGBWZKCPZRLM-GMSGAONNSA-N 0 0 211.330 3.572 20 0 BHADRN Cc1nc(S[C@@H]2CC[C@H](C)C2)oc1C ZINC000555009584 325742257 /nfs/dbraw/zinc/74/22/57/325742257.db2.gz VHAGBWZKCPZRLM-OIBJUYFYSA-N 0 0 211.330 3.572 20 0 BHADRN Cc1nc(S[C@H]2CC[C@@H](C)C2)oc1C ZINC000555009585 325742317 /nfs/dbraw/zinc/74/23/17/325742317.db2.gz VHAGBWZKCPZRLM-XCBNKYQSSA-N 0 0 211.330 3.572 20 0 BHADRN Cc1nc(S[C@H]2CC[C@H](C)C2)oc1C ZINC000555009586 325742310 /nfs/dbraw/zinc/74/23/10/325742310.db2.gz VHAGBWZKCPZRLM-XVKPBYJWSA-N 0 0 211.330 3.572 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1C[C@@H]1C ZINC000555014008 397988303 /nfs/dbraw/zinc/98/83/03/397988303.db2.gz JNEADEFLEIMWJO-CRWXNKLISA-N 0 0 237.387 3.508 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1C[C@@H]1C ZINC000555014009 397988309 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C[N@H+](CCC1CC1)Cc1cccc(F)c1Cl ZINC000555415167 388848769 /nfs/dbraw/zinc/84/87/69/388848769.db2.gz HMINSSMJFNDFAW-UHFFFAOYSA-N 0 0 241.737 3.711 20 0 BHADRN CCCCCN(C(=O)[C@@H](C)C(C)(F)F)C(C)C ZINC000555417373 388848066 /nfs/dbraw/zinc/84/80/66/388848066.db2.gz MHBBRZUIDDONBL-LLVKDONJSA-N 0 0 249.345 3.705 20 0 BHADRN CCCCCN(C(=O)[C@H](C)C(C)(F)F)C(C)C ZINC000555417374 325756918 /nfs/dbraw/zinc/75/69/18/325756918.db2.gz MHBBRZUIDDONBL-NSHDSACASA-N 0 0 249.345 3.705 20 0 BHADRN CC1=C(C)C[N@H+](Cc2cnc(C3CC3)s2)CC1 ZINC000555419892 388848236 /nfs/dbraw/zinc/84/82/36/388848236.db2.gz AMFIYOYTGUNLLX-UHFFFAOYSA-N 0 0 248.395 3.563 20 0 BHADRN C[C@@H]1OCC[C@@H]1SCCCC1CCCC1 ZINC000555422320 388850680 /nfs/dbraw/zinc/85/06/80/388850680.db2.gz ULLPJZZRJANRDY-AAEUAGOBSA-N 0 0 228.401 3.867 20 0 BHADRN C[C@H]1OCC[C@H]1SCCCC1CCCC1 ZINC000555422321 388850706 /nfs/dbraw/zinc/85/07/06/388850706.db2.gz ULLPJZZRJANRDY-DGCLKSJQSA-N 0 0 228.401 3.867 20 0 BHADRN C[C@@H]1OCC[C@H]1SCCCC1CCCC1 ZINC000555422322 325756758 /nfs/dbraw/zinc/75/67/58/325756758.db2.gz ULLPJZZRJANRDY-WCQYABFASA-N 0 0 228.401 3.867 20 0 BHADRN C[C@H]1OCC[C@@H]1SCCCC1CCCC1 ZINC000555422323 388850593 /nfs/dbraw/zinc/85/05/93/388850593.db2.gz ULLPJZZRJANRDY-YPMHNXCESA-N 0 0 228.401 3.867 20 0 BHADRN CO[C@@H](CSCCC1CC1)c1ccccc1 ZINC000555428339 388850360 /nfs/dbraw/zinc/85/03/60/388850360.db2.gz VEQIBBITNINTEW-AWEZNQCLSA-N 0 0 236.380 3.907 20 0 BHADRN CO[C@H](CSCCC1CC1)c1ccccc1 ZINC000555428340 388849799 /nfs/dbraw/zinc/84/97/99/388849799.db2.gz VEQIBBITNINTEW-CQSZACIVSA-N 0 0 236.380 3.907 20 0 BHADRN Cc1nnc(S[C@H]2C=CCCCCC2)s1 ZINC000555465546 325758913 /nfs/dbraw/zinc/75/89/13/325758913.db2.gz IFOLVGOOKAECOW-JTQLQIEISA-N 0 0 240.397 3.828 20 0 BHADRN Cc1nnc(S[C@@H]2C=CCCCCC2)s1 ZINC000555465551 388850809 /nfs/dbraw/zinc/85/08/09/388850809.db2.gz IFOLVGOOKAECOW-SNVBAGLBSA-N 0 0 240.397 3.828 20 0 BHADRN CC(C)c1ccc(SCn2cccn2)cc1 ZINC000555467187 388851401 /nfs/dbraw/zinc/85/14/01/388851401.db2.gz ZRGBCVXYKGAQMW-UHFFFAOYSA-N 0 0 232.352 3.756 20 0 BHADRN Cc1cc(SC(C)C)n(-c2ccccc2)n1 ZINC000555469503 325758932 /nfs/dbraw/zinc/75/89/32/325758932.db2.gz OKMIHIPRTQFAJJ-UHFFFAOYSA-N 0 0 232.352 3.681 20 0 BHADRN COc1ccc(F)c(CNc2ccc(C)cc2)c1 ZINC000555523865 388851556 /nfs/dbraw/zinc/85/15/56/388851556.db2.gz IEGZJTDPGXCSAQ-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN CCc1nocc1CNc1ccc(C(C)C)cc1 ZINC000555524308 388851802 /nfs/dbraw/zinc/85/18/02/388851802.db2.gz PATSCSDUHQWRQE-UHFFFAOYSA-N 0 0 244.338 3.973 20 0 BHADRN Cc1cc(Cl)cc(CNc2ncccc2C)c1 ZINC000555524911 388852398 /nfs/dbraw/zinc/85/23/98/388852398.db2.gz SUWYEVNIOTWTBL-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN CCCCC(=O)Nc1ccccc1N(C)C(C)C ZINC000555528181 388853157 /nfs/dbraw/zinc/85/31/57/388853157.db2.gz AREBDGUJIVXRAX-UHFFFAOYSA-N 0 0 248.370 3.660 20 0 BHADRN CCc1cccc(NCc2conc2C)c1CC ZINC000555583290 325763354 /nfs/dbraw/zinc/76/33/54/325763354.db2.gz FNQSAIWTJIERTP-UHFFFAOYSA-N 0 0 244.338 3.720 20 0 BHADRN C=Cc1ccc(C(=O)NC(C)(C)CCC)cc1 ZINC000555588948 388855456 /nfs/dbraw/zinc/85/54/56/388855456.db2.gz FJVABWBMKLMMAG-UHFFFAOYSA-N 0 0 231.339 3.638 20 0 BHADRN CC1(CNc2ccc(F)cc2OC(F)F)CC1 ZINC000555596416 388854817 /nfs/dbraw/zinc/85/48/17/388854817.db2.gz ORZRKWJLLYMXRQ-UHFFFAOYSA-N 0 0 245.244 3.639 20 0 BHADRN CCCC(C)(C)NC(=O)CC1CC(C)(C)C1 ZINC000555626077 325765750 /nfs/dbraw/zinc/76/57/50/325765750.db2.gz PNTMLSNCTCLQPX-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)CNc1ccc([C@@H]2CCOC2)cc1 ZINC000555627692 325766075 /nfs/dbraw/zinc/76/60/75/325766075.db2.gz MZJOSJZNJYIBRU-GXTWGEPZSA-N 0 0 233.355 3.649 20 0 BHADRN CC[C@H](C)CNc1ccc([C@H]2CCOC2)cc1 ZINC000555627693 325765989 /nfs/dbraw/zinc/76/59/89/325765989.db2.gz MZJOSJZNJYIBRU-JSGCOSHPSA-N 0 0 233.355 3.649 20 0 BHADRN CC[C@@H](C)CNc1ccc([C@H]2CCOC2)cc1 ZINC000555627694 325765740 /nfs/dbraw/zinc/76/57/40/325765740.db2.gz MZJOSJZNJYIBRU-OCCSQVGLSA-N 0 0 233.355 3.649 20 0 BHADRN CC[C@@H](C)CNc1ccc([C@@H]2CCOC2)cc1 ZINC000555627757 388856828 /nfs/dbraw/zinc/85/68/28/388856828.db2.gz MZJOSJZNJYIBRU-TZMCWYRMSA-N 0 0 233.355 3.649 20 0 BHADRN C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)[C@@H]1C ZINC000555642590 388858122 /nfs/dbraw/zinc/85/81/22/388858122.db2.gz ZWGIBCSCOCGLCH-HFAKWTLXSA-N 0 0 233.330 3.543 20 0 BHADRN C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)[C@H]1C ZINC000555642591 388858710 /nfs/dbraw/zinc/85/87/10/388858710.db2.gz ZWGIBCSCOCGLCH-JRPNMDOOSA-N 0 0 233.330 3.543 20 0 BHADRN C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)[C@@H]1C ZINC000555642592 388859080 /nfs/dbraw/zinc/85/90/80/388859080.db2.gz ZWGIBCSCOCGLCH-UEKVPHQBSA-N 0 0 233.330 3.543 20 0 BHADRN C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)[C@H]1C ZINC000555642593 388858414 /nfs/dbraw/zinc/85/84/14/388858414.db2.gz ZWGIBCSCOCGLCH-ZETOZRRWSA-N 0 0 233.330 3.543 20 0 BHADRN Cc1ccc(Cl)cc1N(C)CCOC(C)C ZINC000555680083 325768987 /nfs/dbraw/zinc/76/89/87/325768987.db2.gz DLQNRMVAMOELHD-UHFFFAOYSA-N 0 0 241.762 3.510 20 0 BHADRN Fc1cc(F)c(SC2CCC2)c(F)c1 ZINC000555705127 388859516 /nfs/dbraw/zinc/85/95/16/388859516.db2.gz CAOJLONCRVMCLL-UHFFFAOYSA-N 0 0 218.243 3.749 20 0 BHADRN Clc1cc(C2CC2)ccc1Oc1cccnn1 ZINC000555750541 388860308 /nfs/dbraw/zinc/86/03/08/388860308.db2.gz HIZPBLLLYYADED-UHFFFAOYSA-N 0 0 246.697 3.800 20 0 BHADRN CN(CC(C)(C)C)C(=O)C(C)(C)C(C)(C)C ZINC000555751137 388860515 /nfs/dbraw/zinc/86/05/15/388860515.db2.gz OWHLETVGXUFUFT-UHFFFAOYSA-N 0 0 227.392 3.563 20 0 BHADRN CCCCN(CC(F)(F)F)C1CCCCC1 ZINC000555773143 388861964 /nfs/dbraw/zinc/86/19/64/388861964.db2.gz GIBNIIZZUZDMMG-UHFFFAOYSA-N 0 0 237.309 3.984 20 0 BHADRN CCC(CC)N(C(=O)c1c(C)coc1C)C1CC1 ZINC000555869075 325771983 /nfs/dbraw/zinc/77/19/83/325771983.db2.gz IDOCHMRKJAAUNX-UHFFFAOYSA-N 0 0 249.354 3.690 20 0 BHADRN Cc1nc(CSc2ccc(C)cc2C)co1 ZINC000555871480 388862933 /nfs/dbraw/zinc/86/29/33/388862933.db2.gz ZOIMPLHTDHFLKS-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN Fc1ccc(N[C@@H](c2ccccc2)C2CC2)nc1 ZINC000555895760 325773253 /nfs/dbraw/zinc/77/32/53/325773253.db2.gz ASDSINZSWOGFPN-HNNXBMFYSA-N 0 0 242.297 3.784 20 0 BHADRN Fc1ccc(N[C@H](c2ccccc2)C2CC2)nc1 ZINC000555895768 325772998 /nfs/dbraw/zinc/77/29/98/325772998.db2.gz ASDSINZSWOGFPN-OAHLLOKOSA-N 0 0 242.297 3.784 20 0 BHADRN CC[C@@H](NC(=O)CC(C)(C)C1CC1)C(C)(C)C ZINC000555905752 325772953 /nfs/dbraw/zinc/77/29/53/325772953.db2.gz NFESOGYYHNMXDC-GFCCVEGCSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](NC(=O)CC(C)(C)C1CC1)C(C)(C)C ZINC000555905753 325773302 /nfs/dbraw/zinc/77/33/02/325773302.db2.gz NFESOGYYHNMXDC-LBPRGKRZSA-N 0 0 239.403 3.754 20 0 BHADRN CN(CC1CCC1)c1ncc(Cl)cc1Cl ZINC000555925571 388863841 /nfs/dbraw/zinc/86/38/41/388863841.db2.gz SYOYNMBWCASPIA-UHFFFAOYSA-N 0 0 245.153 3.625 20 0 BHADRN CC[C@@H](F)CN[C@H](c1ccccc1)C(F)(F)F ZINC000555927308 325773512 /nfs/dbraw/zinc/77/35/12/325773512.db2.gz HKBQLTOXFFSHCO-GHMZBOCLSA-N 0 0 249.251 3.628 20 0 BHADRN CC[C@@H](F)CN[C@@H](c1ccccc1)C(F)(F)F ZINC000555927319 388864172 /nfs/dbraw/zinc/86/41/72/388864172.db2.gz HKBQLTOXFFSHCO-MNOVXSKESA-N 0 0 249.251 3.628 20 0 BHADRN CC[C@H](F)CN[C@@H](c1ccccc1)C(F)(F)F ZINC000555927320 388864175 /nfs/dbraw/zinc/86/41/75/388864175.db2.gz HKBQLTOXFFSHCO-QWRGUYRKSA-N 0 0 249.251 3.628 20 0 BHADRN CC[C@H](F)CN[C@H](c1ccccc1)C(F)(F)F ZINC000555927321 388864184 /nfs/dbraw/zinc/86/41/84/388864184.db2.gz HKBQLTOXFFSHCO-WDEREUQCSA-N 0 0 249.251 3.628 20 0 BHADRN CCCCOc1cccc2c1C(=O)CC(C)(C)O2 ZINC000555954610 388863390 /nfs/dbraw/zinc/86/33/90/388863390.db2.gz KMXIDJXBPHHPOG-UHFFFAOYSA-N 0 0 248.322 3.609 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)CC2CC(C)(C)C2)CC1 ZINC000555958410 325774215 /nfs/dbraw/zinc/77/42/15/325774215.db2.gz IGNBSUPFWHFZFU-AULYBMBSSA-N 0 0 237.387 3.508 20 0 BHADRN CCN(CC1CCC1)c1cccc(C)c1 ZINC000555964580 388863152 /nfs/dbraw/zinc/86/31/52/388863152.db2.gz LRHQANQOPZLJQM-UHFFFAOYSA-N 0 0 203.329 3.621 20 0 BHADRN CCCCCC(=O)Nc1ccc(C)c(OCC)c1 ZINC000555980642 388863328 /nfs/dbraw/zinc/86/33/28/388863328.db2.gz LQHIJMWBJKFJNN-UHFFFAOYSA-N 0 0 249.354 3.913 20 0 BHADRN Cc1ccc(-c2noc(C[C@@H]3CC[C@H](C)C3)n2)o1 ZINC000556002187 384980221 /nfs/dbraw/zinc/98/02/21/384980221.db2.gz AAMZRHOXICEXDO-GXSJLCMTSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1ccc(-c2noc(C[C@H]3CC[C@@H](C)C3)n2)o1 ZINC000556002194 322977397 /nfs/dbraw/zinc/97/73/97/322977397.db2.gz AAMZRHOXICEXDO-KOLCDFICSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1ccc(-c2noc(C[C@@H]3CC[C@@H](C)C3)n2)o1 ZINC000556002195 322977344 /nfs/dbraw/zinc/97/73/44/322977344.db2.gz AAMZRHOXICEXDO-MWLCHTKSSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1ccc(-c2noc(C[C@H]3CC[C@H](C)C3)n2)o1 ZINC000556002196 384979691 /nfs/dbraw/zinc/97/96/91/384979691.db2.gz AAMZRHOXICEXDO-ONGXEEELSA-N 0 0 246.310 3.617 20 0 BHADRN Cc1ccc(-c2noc(-c3cscc3C)n2)o1 ZINC000556002680 388865060 /nfs/dbraw/zinc/86/50/60/388865060.db2.gz HEZYLGIKMLMQIJ-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN CCCc1nc(C(C)(C)C2=CCCCC2)no1 ZINC000556016499 325775574 /nfs/dbraw/zinc/77/55/74/325775574.db2.gz UDLOUPLAVFCERH-UHFFFAOYSA-N 0 0 234.343 3.800 20 0 BHADRN c1coc(SCc2ccc3ncccc3c2)n1 ZINC000556021384 325775534 /nfs/dbraw/zinc/77/55/34/325775534.db2.gz UILHMJJEMNACMT-UHFFFAOYSA-N 0 0 242.303 3.515 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)C(C)(C)C(C)(C)C ZINC000556026743 325775668 /nfs/dbraw/zinc/77/56/68/325775668.db2.gz LZQNDTWQGLGOSL-LLVKDONJSA-N 0 0 227.392 3.563 20 0 BHADRN CC[C@H](C)CN(C)C(=O)C(C)(C)C(C)(C)C ZINC000556026744 388865595 /nfs/dbraw/zinc/86/55/95/388865595.db2.gz LZQNDTWQGLGOSL-NSHDSACASA-N 0 0 227.392 3.563 20 0 BHADRN CN(C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000556103851 325778617 /nfs/dbraw/zinc/77/86/17/325778617.db2.gz WYFCZCWJIPPEHL-LLVKDONJSA-N 0 0 225.282 3.558 20 0 BHADRN CN(C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000556103854 388866043 /nfs/dbraw/zinc/86/60/43/388866043.db2.gz WYFCZCWJIPPEHL-NSHDSACASA-N 0 0 225.282 3.558 20 0 BHADRN CC(C)(C)C(C)(C)C(=O)N1CCCC(C)(C)C1 ZINC000556103984 388866607 /nfs/dbraw/zinc/86/66/07/388866607.db2.gz YBFXTVWMEBLKEE-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CN(C[C@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000556122653 388866996 /nfs/dbraw/zinc/86/69/96/388866996.db2.gz IDTZJRBPTTUSEM-JTQLQIEISA-N 0 0 243.272 3.697 20 0 BHADRN CN(C[C@@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000556122654 388867056 /nfs/dbraw/zinc/86/70/56/388867056.db2.gz IDTZJRBPTTUSEM-SNVBAGLBSA-N 0 0 243.272 3.697 20 0 BHADRN CCC(C)(CC)NC(=O)[C@H]1CC2CCC1CC2 ZINC000556132101 325780317 /nfs/dbraw/zinc/78/03/17/325780317.db2.gz ZZHVJZFPJYFJFH-BPCQOVAHSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(C)(CC)NC(=O)[C@@H]1CC2CCC1CC2 ZINC000556132104 325780434 /nfs/dbraw/zinc/78/04/34/325780434.db2.gz ZZHVJZFPJYFJFH-WXRRBKDZSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000556139015 388868429 /nfs/dbraw/zinc/86/84/29/388868429.db2.gz DOXNLNMZOIEZQM-IWIIMEHWSA-N 0 0 239.746 3.708 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@]2(C)CCCO2)cc1C ZINC000556155240 325781698 /nfs/dbraw/zinc/78/16/98/325781698.db2.gz KWLPNMGXOGDOCA-BBRMVZONSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1ccc(N[C@H](C)[C@]2(C)CCCO2)cc1C ZINC000556155241 325781701 /nfs/dbraw/zinc/78/17/01/325781701.db2.gz KWLPNMGXOGDOCA-CJNGLKHVSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1ccc(N[C@H](C)[C@@]2(C)CCCO2)cc1C ZINC000556155242 325781415 /nfs/dbraw/zinc/78/14/15/325781415.db2.gz KWLPNMGXOGDOCA-CZUORRHYSA-N 0 0 247.382 3.927 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@@]2(C)CCCO2)cc1C ZINC000556155243 388869216 /nfs/dbraw/zinc/86/92/16/388869216.db2.gz KWLPNMGXOGDOCA-XJKSGUPXSA-N 0 0 247.382 3.927 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)[C@@]2(C)CCCO2)c1 ZINC000556160286 325781666 /nfs/dbraw/zinc/78/16/66/325781666.db2.gz VNGNKXQOSWIRIF-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)[C@]2(C)CCCO2)c1 ZINC000556160287 325781516 /nfs/dbraw/zinc/78/15/16/325781516.db2.gz VNGNKXQOSWIRIF-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)[C@]2(C)CCCO2)c1 ZINC000556160288 325781663 /nfs/dbraw/zinc/78/16/63/325781663.db2.gz VNGNKXQOSWIRIF-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)[C@@]2(C)CCCO2)c1 ZINC000556160289 325781705 /nfs/dbraw/zinc/78/17/05/325781705.db2.gz VNGNKXQOSWIRIF-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN CC1(C)OCC[C@@H]1Nc1ccc(F)c(C2CC2)c1 ZINC000556178566 325783134 /nfs/dbraw/zinc/78/31/34/325783134.db2.gz DZQINHNMIMAROH-AWEZNQCLSA-N 0 0 249.329 3.683 20 0 BHADRN CC1(C)OCC[C@H]1Nc1ccc(F)c(C2CC2)c1 ZINC000556178567 325783066 /nfs/dbraw/zinc/78/30/66/325783066.db2.gz DZQINHNMIMAROH-CQSZACIVSA-N 0 0 249.329 3.683 20 0 BHADRN COc1cc(NC2CCCCC2)cc(OC)c1C ZINC000556210981 325785052 /nfs/dbraw/zinc/78/50/52/325785052.db2.gz XSGOUSNBUOOARB-UHFFFAOYSA-N 0 0 249.354 3.757 20 0 BHADRN COc1cc(N[C@H](C)C2CCC2)cc(OC)c1C ZINC000556214963 325784946 /nfs/dbraw/zinc/78/49/46/325784946.db2.gz XAZTWOWUATWTDN-LLVKDONJSA-N 0 0 249.354 3.613 20 0 BHADRN COc1cc(N[C@@H](C)C2CCC2)cc(OC)c1C ZINC000556214968 388870436 /nfs/dbraw/zinc/87/04/36/388870436.db2.gz XAZTWOWUATWTDN-NSHDSACASA-N 0 0 249.354 3.613 20 0 BHADRN Cc1ccc([C@H](NCC(C)(F)F)C2CCC2)o1 ZINC000556222416 325785426 /nfs/dbraw/zinc/78/54/26/325785426.db2.gz UFVKRGGIYLROGL-GFCCVEGCSA-N 0 0 243.297 3.674 20 0 BHADRN Cc1ccc([C@@H](NCC(C)(F)F)C2CCC2)o1 ZINC000556222422 325785263 /nfs/dbraw/zinc/78/52/63/325785263.db2.gz UFVKRGGIYLROGL-LBPRGKRZSA-N 0 0 243.297 3.674 20 0 BHADRN Cc1ccc(CC[C@@H](C)NCC(C)(F)F)cc1 ZINC000556229182 325785937 /nfs/dbraw/zinc/78/59/37/325785937.db2.gz GJQJMGVKRVMFDY-GFCCVEGCSA-N 0 0 241.325 3.561 20 0 BHADRN Cc1ccc(CC[C@H](C)NCC(C)(F)F)cc1 ZINC000556229189 388871802 /nfs/dbraw/zinc/87/18/02/388871802.db2.gz GJQJMGVKRVMFDY-LBPRGKRZSA-N 0 0 241.325 3.561 20 0 BHADRN C[C@H](F)CCN[C@H](c1ccccc1)C(F)(F)F ZINC000556233209 388871564 /nfs/dbraw/zinc/87/15/64/388871564.db2.gz LBANYNIXEAPBJZ-GXSJLCMTSA-N 0 0 249.251 3.628 20 0 BHADRN C[C@@H](F)CCN[C@@H](c1ccccc1)C(F)(F)F ZINC000556233219 388871772 /nfs/dbraw/zinc/87/17/72/388871772.db2.gz LBANYNIXEAPBJZ-KOLCDFICSA-N 0 0 249.251 3.628 20 0 BHADRN C[C@@H](F)CCN[C@H](c1ccccc1)C(F)(F)F ZINC000556233221 388871645 /nfs/dbraw/zinc/87/16/45/388871645.db2.gz LBANYNIXEAPBJZ-MWLCHTKSSA-N 0 0 249.251 3.628 20 0 BHADRN C[C@H](F)CCN[C@@H](c1ccccc1)C(F)(F)F ZINC000556233222 388871871 /nfs/dbraw/zinc/87/18/71/388871871.db2.gz LBANYNIXEAPBJZ-ONGXEEELSA-N 0 0 249.251 3.628 20 0 BHADRN c1cc([C@H]2CCOC2)ccc1NC1CCCCC1 ZINC000556237700 388872177 /nfs/dbraw/zinc/87/21/77/388872177.db2.gz FEEXULHFRINALK-AWEZNQCLSA-N 0 0 245.366 3.935 20 0 BHADRN c1cc([C@@H]2CCOC2)ccc1NC1CCCCC1 ZINC000556237701 388872048 /nfs/dbraw/zinc/87/20/48/388872048.db2.gz FEEXULHFRINALK-CQSZACIVSA-N 0 0 245.366 3.935 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc([C@H]3CCOC3)cc2)[C@H]1C ZINC000556237716 325786607 /nfs/dbraw/zinc/78/66/07/325786607.db2.gz FMGNOUPTTVKARA-DSPQJCBJSA-N 0 0 245.366 3.647 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc([C@@H]3CCOC3)cc2)[C@H]1C ZINC000556237912 388872097 /nfs/dbraw/zinc/87/20/97/388872097.db2.gz FMGNOUPTTVKARA-FIRUKDTASA-N 0 0 245.366 3.647 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc([C@H]3CCOC3)cc2)[C@@H]1C ZINC000556237914 325786610 /nfs/dbraw/zinc/78/66/10/325786610.db2.gz FMGNOUPTTVKARA-HLSYRSCKSA-N 0 0 245.366 3.647 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc([C@@H]3CCOC3)cc2)[C@@H]1C ZINC000556237916 325786403 /nfs/dbraw/zinc/78/64/03/325786403.db2.gz FMGNOUPTTVKARA-NCZKRNLISA-N 0 0 245.366 3.647 20 0 BHADRN C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)C1(C)CC1 ZINC000556238968 388871860 /nfs/dbraw/zinc/87/18/60/388871860.db2.gz OQCLYXPZKPIRDP-GXTWGEPZSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@H](Nc1ccc([C@H]2CCOC2)cc1)C1(C)CC1 ZINC000556238969 388871705 /nfs/dbraw/zinc/87/17/05/388871705.db2.gz OQCLYXPZKPIRDP-JSGCOSHPSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)C1(C)CC1 ZINC000556238970 388871684 /nfs/dbraw/zinc/87/16/84/388871684.db2.gz OQCLYXPZKPIRDP-OCCSQVGLSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)C1(C)CC1 ZINC000556238971 388872451 /nfs/dbraw/zinc/87/24/51/388872451.db2.gz OQCLYXPZKPIRDP-TZMCWYRMSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H](N[C@H]1CCC[C@H]1F)c1cccc(F)c1F ZINC000556256827 388873599 /nfs/dbraw/zinc/87/35/99/388873599.db2.gz QLVDTFVWMHRJJK-UISBYWKRSA-N 0 0 243.272 3.506 20 0 BHADRN Clc1ccc(CSC2CCC2)nc1 ZINC000556268761 384987832 /nfs/dbraw/zinc/98/78/32/384987832.db2.gz AQPBWVRTKNDUAF-UHFFFAOYSA-N 0 0 213.733 3.521 20 0 BHADRN FC(c1nc(-c2ccccc2)no1)=C1CCCC1 ZINC000556269297 325788557 /nfs/dbraw/zinc/78/85/57/325788557.db2.gz LZMPLXBDNNTCDW-UHFFFAOYSA-N 0 0 244.269 3.991 20 0 BHADRN CC(C)CCOCCN1C[C@H](C)c2ccccc21 ZINC000556276612 388873231 /nfs/dbraw/zinc/87/32/31/388873231.db2.gz NJJIVEZAIIMCHX-AWEZNQCLSA-N 0 0 247.382 3.673 20 0 BHADRN CC(C)CCOCCN1C[C@@H](C)c2ccccc21 ZINC000556276614 325789614 /nfs/dbraw/zinc/78/96/14/325789614.db2.gz NJJIVEZAIIMCHX-CQSZACIVSA-N 0 0 247.382 3.673 20 0 BHADRN CCOc1ccc(OCCCCCF)cc1 ZINC000556282171 325789623 /nfs/dbraw/zinc/78/96/23/325789623.db2.gz VMOUEXJRXMDUPG-UHFFFAOYSA-N 0 0 226.291 3.604 20 0 BHADRN CCCCNc1nc(C)c(-c2ccccc2)s1 ZINC000556283689 388874050 /nfs/dbraw/zinc/87/40/50/388874050.db2.gz ZUYMGDNUNZDVIB-UHFFFAOYSA-N 0 0 246.379 3.752 20 0 BHADRN Clc1ccc2ncc(OCC3CC3)cc2c1 ZINC000556287171 325789914 /nfs/dbraw/zinc/78/99/14/325789914.db2.gz JDESTIMGPAWDPT-UHFFFAOYSA-N 0 0 233.698 3.677 20 0 BHADRN CCC(=O)c1cccc(NCCCCCF)c1 ZINC000556287506 388874363 /nfs/dbraw/zinc/87/43/63/388874363.db2.gz NDJDXCZINFDDSY-UHFFFAOYSA-N 0 0 237.318 3.831 20 0 BHADRN CCc1c(NCC2CC2)cnn1C(CC)CC ZINC000556289075 388874922 /nfs/dbraw/zinc/87/49/22/388874922.db2.gz YHUPISMIMDUTFG-UHFFFAOYSA-N 0 0 235.375 3.629 20 0 BHADRN Cc1ccc(C(C)C)c(OCCOCC2CC2)c1 ZINC000556289510 325789926 /nfs/dbraw/zinc/78/99/26/325789926.db2.gz OUDNJOXUDOYIKQ-UHFFFAOYSA-N 0 0 248.366 3.924 20 0 BHADRN FCCCCCSCCOc1ccccc1 ZINC000556289585 388874802 /nfs/dbraw/zinc/87/48/02/388874802.db2.gz UQRCLMOFFLLFMI-UHFFFAOYSA-N 0 0 242.359 3.938 20 0 BHADRN N#CN(CCCCCF)c1cccc(Cl)c1 ZINC000556289941 325790568 /nfs/dbraw/zinc/79/05/68/325790568.db2.gz BBZBDJCSWWKXAM-UHFFFAOYSA-N 0 0 240.709 3.767 20 0 BHADRN CC(C)(C)CCN(C#N)c1cccc(F)c1 ZINC000556290396 388874055 /nfs/dbraw/zinc/87/40/55/388874055.db2.gz NTGCSQJTDBHKCR-UHFFFAOYSA-N 0 0 220.291 3.549 20 0 BHADRN CCCOc1ccccc1OCCCCCF ZINC000556290983 325790853 /nfs/dbraw/zinc/79/08/53/325790853.db2.gz YNWFQEQKWRKNFH-UHFFFAOYSA-N 0 0 240.318 3.994 20 0 BHADRN FCCCCCSc1ccc(Cl)cn1 ZINC000556293421 388874685 /nfs/dbraw/zinc/87/46/85/388874685.db2.gz UCXFTKJOXSFQBQ-UHFFFAOYSA-N 0 0 233.739 3.967 20 0 BHADRN CCc1cnc(CSCCCCCF)o1 ZINC000556294228 325791774 /nfs/dbraw/zinc/79/17/74/325791774.db2.gz CYQMVAHFVUEMDY-UHFFFAOYSA-N 0 0 231.336 3.610 20 0 BHADRN C[C@@H](c1noc([C@H]2C[C@@H]2C2CC2)n1)C(C)(C)C ZINC000556298948 325791464 /nfs/dbraw/zinc/79/14/64/325791464.db2.gz JCQCBZICAYQDGJ-GDPRMGEGSA-N 0 0 234.343 3.733 20 0 BHADRN C[C@@H](c1noc(CC(C)(C)C2CC2)n1)C1CC1 ZINC000556307547 383885670 /nfs/dbraw/zinc/88/56/70/383885670.db2.gz DWYDEHYCMGLIJM-SECBINFHSA-N 0 0 234.343 3.562 20 0 BHADRN C[C@H](c1noc(CC(C)(C)C2CC2)n1)C1CC1 ZINC000556307548 322810075 /nfs/dbraw/zinc/81/00/75/322810075.db2.gz DWYDEHYCMGLIJM-VIFPVBQESA-N 0 0 234.343 3.562 20 0 BHADRN CCc1ccc(-c2nc(-c3ccco3)no2)cc1 ZINC000556313910 322900919 /nfs/dbraw/zinc/90/09/19/322900919.db2.gz FRKZSTHIFOYDKG-UHFFFAOYSA-N 0 0 240.262 3.559 20 0 BHADRN FCCOc1cc(C(F)(F)F)ccc1Cl ZINC000556315451 487675837 /nfs/dbraw/zinc/67/58/37/487675837.db2.gz ROEOOFRBWSNTQI-UHFFFAOYSA-N 0 0 242.599 3.707 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Cc1nc(-c2ccco2)no1 ZINC000556315470 398020852 /nfs/dbraw/zinc/02/08/52/398020852.db2.gz RRJZVXIPJIOOGY-GHMZBOCLSA-N 0 0 246.310 3.698 20 0 BHADRN C[C@@H]1CCCC[C@H]1Cc1nc(-c2ccco2)no1 ZINC000556315485 398020696 /nfs/dbraw/zinc/02/06/96/398020696.db2.gz RRJZVXIPJIOOGY-MNOVXSKESA-N 0 0 246.310 3.698 20 0 BHADRN C[C@H]1CCCC[C@H]1Cc1nc(-c2ccco2)no1 ZINC000556315486 322901218 /nfs/dbraw/zinc/90/12/18/322901218.db2.gz RRJZVXIPJIOOGY-QWRGUYRKSA-N 0 0 246.310 3.698 20 0 BHADRN C[C@H]1CCCC[C@@H]1Cc1nc(-c2ccco2)no1 ZINC000556315487 383881852 /nfs/dbraw/zinc/88/18/52/383881852.db2.gz RRJZVXIPJIOOGY-WDEREUQCSA-N 0 0 246.310 3.698 20 0 BHADRN COC(C)(C)CCSc1ccc(F)cc1F ZINC000556318718 383929301 /nfs/dbraw/zinc/92/93/01/383929301.db2.gz QKTYMYJVWHZNGW-UHFFFAOYSA-N 0 0 246.322 3.872 20 0 BHADRN CCCC(C)(C)Cc1nc(-c2ccco2)no1 ZINC000556319342 322902403 /nfs/dbraw/zinc/90/24/03/322902403.db2.gz IFWIIALPXRYUHV-UHFFFAOYSA-N 0 0 234.299 3.698 20 0 BHADRN CC1(Cc2nc(-c3ccco3)no2)CCCCC1 ZINC000556319595 322902333 /nfs/dbraw/zinc/90/23/33/322902333.db2.gz OPDBVHDOESXSED-UHFFFAOYSA-N 0 0 246.310 3.843 20 0 BHADRN CC(C)c1ccc(CSCCCCO)cc1 ZINC000556324471 383954285 /nfs/dbraw/zinc/95/42/85/383954285.db2.gz DJPRDKUIEPFHAQ-UHFFFAOYSA-N 0 0 238.396 3.816 20 0 BHADRN C[C@@H](NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)C1CCCCC1 ZINC000556326382 383972534 /nfs/dbraw/zinc/97/25/34/383972534.db2.gz UHYCJQYWVHDISJ-OEYIWLLWSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)C1CCCCC1 ZINC000556326384 322902587 /nfs/dbraw/zinc/90/25/87/322902587.db2.gz UHYCJQYWVHDISJ-ZIEJDFEHSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](c1nc(CCC(C)(C)C)no1)C(C)(F)F ZINC000556330675 518183963 /nfs/dbraw/zinc/18/39/63/518183963.db2.gz PAKZHUHGRSPBLB-MRVPVSSYSA-N 0 0 246.301 3.807 20 0 BHADRN C[C@@H](c1nc(CCC(C)(C)C)no1)C(C)(F)F ZINC000556330680 322903139 /nfs/dbraw/zinc/90/31/39/322903139.db2.gz PAKZHUHGRSPBLB-QMMMGPOBSA-N 0 0 246.301 3.807 20 0 BHADRN CC(C)=CCSc1ncc(C(C)C)n1C ZINC000556338514 384031815 /nfs/dbraw/zinc/03/18/15/384031815.db2.gz XLWRRWJAGFGXNI-UHFFFAOYSA-N 0 0 224.373 3.602 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c1C ZINC000556339472 322903529 /nfs/dbraw/zinc/90/35/29/322903529.db2.gz JVCUJKJIEJPKPC-TZMCWYRMSA-N 0 0 243.350 3.844 20 0 BHADRN CCC[C@@H](CC)SCCOCC(F)F ZINC000556339988 322903828 /nfs/dbraw/zinc/90/38/28/322903828.db2.gz PSZSFTQZAGKJJI-SECBINFHSA-N 0 0 226.332 3.580 20 0 BHADRN CCC[C@H](CC)SCCOCC(F)F ZINC000556339999 384037837 /nfs/dbraw/zinc/03/78/37/384037837.db2.gz PSZSFTQZAGKJJI-VIFPVBQESA-N 0 0 226.332 3.580 20 0 BHADRN CCc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c1 ZINC000556342143 322903790 /nfs/dbraw/zinc/90/37/90/322903790.db2.gz IUYKTYKUJYYNJB-IUODEOHRSA-N 0 0 243.350 3.790 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@H]2CC=CC[C@H]2C)c1 ZINC000556342666 322903838 /nfs/dbraw/zinc/90/38/38/322903838.db2.gz POAMLMAUNCSEHI-VXGBXAGGSA-N 0 0 247.313 3.675 20 0 BHADRN CC(C)(C)CCOc1ccnc(C(F)(F)F)c1 ZINC000556343533 384037914 /nfs/dbraw/zinc/03/79/14/384037914.db2.gz IPOZPFCYTIDMEW-UHFFFAOYSA-N 0 0 247.260 3.915 20 0 BHADRN C/C=C/C=C\c1nc(-c2ccc(F)cc2F)no1 ZINC000556344406 384043325 /nfs/dbraw/zinc/04/33/25/384043325.db2.gz ILETUNHVYSBHFK-IAROGAJJSA-N 0 0 248.232 3.604 20 0 BHADRN C/C=C/C=C/c1nc(-c2ccc(F)cc2F)no1 ZINC000556344408 384044271 /nfs/dbraw/zinc/04/42/71/384044271.db2.gz ILETUNHVYSBHFK-MQQKCMAXSA-N 0 0 248.232 3.604 20 0 BHADRN CC(C)c1nc(-c2ccc(Cl)cc2F)no1 ZINC000556346092 384032497 /nfs/dbraw/zinc/03/24/97/384032497.db2.gz QDAAQHCCAADNCH-UHFFFAOYSA-N 0 0 240.665 3.653 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@@H]2CC=CC[C@H]2C)c1 ZINC000556358585 384051297 /nfs/dbraw/zinc/05/12/97/384051297.db2.gz HIYLWHRCLIJZMW-UKRRQHHQSA-N 0 0 243.350 3.560 20 0 BHADRN CC(C)c1ccoc1C(=O)NC(C)(C)C(C)C ZINC000556358604 384050441 /nfs/dbraw/zinc/05/04/41/384050441.db2.gz IHTNLDGMTQGSRC-UHFFFAOYSA-N 0 0 237.343 3.567 20 0 BHADRN CCCCCc1nc(CC2CCCC2)no1 ZINC000556368097 384073826 /nfs/dbraw/zinc/07/38/26/384073826.db2.gz FKOJUODACYRZSR-UHFFFAOYSA-N 0 0 222.332 3.535 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)CC1CC(C)(C)C1 ZINC000556370047 384080515 /nfs/dbraw/zinc/08/05/15/384080515.db2.gz XLYFRSCFBNDNMB-NEPJUHHUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)CC1CC(C)(C)C1 ZINC000556370048 384080157 /nfs/dbraw/zinc/08/01/57/384080157.db2.gz XLYFRSCFBNDNMB-NWDGAFQWSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)CC1CC(C)(C)C1 ZINC000556370049 384081189 /nfs/dbraw/zinc/08/11/89/384081189.db2.gz XLYFRSCFBNDNMB-RYUDHWBXSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)CC1CC(C)(C)C1 ZINC000556370051 322904595 /nfs/dbraw/zinc/90/45/95/322904595.db2.gz XLYFRSCFBNDNMB-VXGBXAGGSA-N 0 0 239.403 3.754 20 0 BHADRN C(=C1CCCC1)c1nc(CC2CCCC2)no1 ZINC000556370063 322904672 /nfs/dbraw/zinc/90/46/72/322904672.db2.gz XNIPAHLDGUICRJ-UHFFFAOYSA-N 0 0 232.327 3.760 20 0 BHADRN Cc1ccsc1-c1nc(CC2CCCC2)no1 ZINC000556370139 322904601 /nfs/dbraw/zinc/90/46/01/322904601.db2.gz YQWWWHMJJXWGIW-UHFFFAOYSA-N 0 0 248.351 3.839 20 0 BHADRN CC(C)(C)/C=C/c1nc(CC2CCCC2)no1 ZINC000556370426 384081997 /nfs/dbraw/zinc/08/19/97/384081997.db2.gz BERFONOAJHKHRB-CMDGGOBGSA-N 0 0 234.343 3.862 20 0 BHADRN CC(C)(C)/C=C\c1nc(CC2CCCC2)no1 ZINC000556370435 322904555 /nfs/dbraw/zinc/90/45/55/322904555.db2.gz BERFONOAJHKHRB-HJWRWDBZSA-N 0 0 234.343 3.862 20 0 BHADRN CC1(C)CC(c2nc(CC3CCCC3)no2)C1 ZINC000556371036 322904951 /nfs/dbraw/zinc/90/49/51/322904951.db2.gz GVUOPISWURVWBH-UHFFFAOYSA-N 0 0 234.343 3.706 20 0 BHADRN CCC1(c2nc(CC3CCCC3)no2)CCC1 ZINC000556372094 322905401 /nfs/dbraw/zinc/90/54/01/322905401.db2.gz RIQXZVRNBLXQRS-UHFFFAOYSA-N 0 0 234.343 3.634 20 0 BHADRN C=Cc1ccc(C(=O)NCCC2CCCC2)cc1 ZINC000556376929 343395938 /nfs/dbraw/zinc/39/59/38/343395938.db2.gz KTSVIQDICUPRLN-UHFFFAOYSA-N 0 0 243.350 3.640 20 0 BHADRN CCC(CC)N(C(=O)[C@@H]1CC=CC[C@H]1C)C1CC1 ZINC000556377749 343399779 /nfs/dbraw/zinc/39/97/79/343399779.db2.gz ZHWPOSVUMPBGEA-IUODEOHRSA-N 0 0 249.398 3.768 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)N(C)C1CCCCCC1 ZINC000556378117 343399762 /nfs/dbraw/zinc/39/97/62/343399762.db2.gz YDOACZPSTVDDKC-UKRRQHHQSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC=CC[C@H]1C)C1CCCC1 ZINC000556378235 343399646 /nfs/dbraw/zinc/39/96/46/343399646.db2.gz KJZMWGCVLQLYFH-UKRRQHHQSA-N 0 0 249.398 3.768 20 0 BHADRN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC=CC[C@H]2C)C1 ZINC000556392577 343511076 /nfs/dbraw/zinc/51/10/76/343511076.db2.gz KBOQSELHATYDMK-APIJFGDWSA-N 0 0 249.398 3.531 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000556392588 343510672 /nfs/dbraw/zinc/51/06/72/343510672.db2.gz KBOQSELHATYDMK-GBJTYRQASA-N 0 0 249.398 3.531 20 0 BHADRN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC=CC[C@H]2C)C1 ZINC000556392589 343510921 /nfs/dbraw/zinc/51/09/21/343510921.db2.gz KBOQSELHATYDMK-KBUPBQIOSA-N 0 0 249.398 3.531 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000556392590 343510984 /nfs/dbraw/zinc/51/09/84/343510984.db2.gz KBOQSELHATYDMK-LJISPDSOSA-N 0 0 249.398 3.531 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000556398090 322910557 /nfs/dbraw/zinc/91/05/57/322910557.db2.gz GFHRKNPYVUAVLT-BARDWOONSA-N 0 0 249.398 3.674 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000556398101 384354809 /nfs/dbraw/zinc/35/48/09/384354809.db2.gz GFHRKNPYVUAVLT-KBUPBQIOSA-N 0 0 249.398 3.674 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000556398105 322910648 /nfs/dbraw/zinc/91/06/48/322910648.db2.gz GFHRKNPYVUAVLT-LXTVHRRPSA-N 0 0 249.398 3.674 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000556398109 384355427 /nfs/dbraw/zinc/35/54/27/384355427.db2.gz GFHRKNPYVUAVLT-TUVASFSCSA-N 0 0 249.398 3.674 20 0 BHADRN C=Cc1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)cc1 ZINC000556400291 322910613 /nfs/dbraw/zinc/91/06/13/322910613.db2.gz RHZDIIZEKXNRMJ-NNUKFRKNSA-N 0 0 243.350 3.638 20 0 BHADRN CCOc1cc(NCc2occc2C)ccc1C ZINC000556403606 384355617 /nfs/dbraw/zinc/35/56/17/384355617.db2.gz HYZMOWVFHCSCJL-UHFFFAOYSA-N 0 0 245.322 3.907 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000556412116 322911683 /nfs/dbraw/zinc/91/16/83/322911683.db2.gz MOWHYSNDACTKLW-AAVRWANBSA-N 0 0 237.387 3.530 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000556412117 384369246 /nfs/dbraw/zinc/36/92/46/384369246.db2.gz MOWHYSNDACTKLW-REWJHTLYSA-N 0 0 237.387 3.530 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000556412118 384368985 /nfs/dbraw/zinc/36/89/85/384368985.db2.gz MOWHYSNDACTKLW-RFQIPJPRSA-N 0 0 237.387 3.530 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000556412119 322911669 /nfs/dbraw/zinc/91/16/69/322911669.db2.gz MOWHYSNDACTKLW-YIYPIFLZSA-N 0 0 237.387 3.530 20 0 BHADRN C=Cc1ccc(C(=O)N(CC)C[C@H](C)CC)cc1 ZINC000556426638 409876460 /nfs/dbraw/zinc/87/64/60/409876460.db2.gz LNPCRRWLYJCODE-CYBMUJFWSA-N 0 0 245.366 3.838 20 0 BHADRN C=Cc1ccc(C(=O)N(CC)C[C@@H](C)CC)cc1 ZINC000556426639 409875597 /nfs/dbraw/zinc/87/55/97/409875597.db2.gz LNPCRRWLYJCODE-ZDUSSCGKSA-N 0 0 245.366 3.838 20 0 BHADRN Cc1cc(C(=O)NC(C)(C)C(C)C)sc1C ZINC000556432563 384383470 /nfs/dbraw/zinc/38/34/70/384383470.db2.gz SPMVXMFWABFLAA-UHFFFAOYSA-N 0 0 239.384 3.529 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)N(C)[C@H]1CCC(C)(C)C1 ZINC000556439699 384385220 /nfs/dbraw/zinc/38/52/20/384385220.db2.gz FSZYSNKLUMVSJL-HZSPNIEDSA-N 0 0 249.398 3.626 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC000556439700 384385352 /nfs/dbraw/zinc/38/53/52/384385352.db2.gz FSZYSNKLUMVSJL-MGPQQGTHSA-N 0 0 249.398 3.626 20 0 BHADRN Cc1cc(F)cc(NC(=O)[C@@H]2CC=CC[C@H]2C)c1 ZINC000556448711 322912797 /nfs/dbraw/zinc/91/27/97/322912797.db2.gz CLFDJWMERHWTKN-BXUZGUMPSA-N 0 0 247.313 3.675 20 0 BHADRN C[C@@H]1CC[C@@H](NCC(C)(F)F)c2sccc21 ZINC000556455525 384394160 /nfs/dbraw/zinc/39/41/60/384394160.db2.gz RCGQJHZVNYCQJX-PSASIEDQSA-N 0 0 245.338 3.931 20 0 BHADRN C[C@@H]1CC[C@H](NCC(C)(F)F)c2sccc21 ZINC000556455526 322913227 /nfs/dbraw/zinc/91/32/27/322913227.db2.gz RCGQJHZVNYCQJX-SCZZXKLOSA-N 0 0 245.338 3.931 20 0 BHADRN C[C@H]1CC[C@@H](NCC(C)(F)F)c2sccc21 ZINC000556455527 384394419 /nfs/dbraw/zinc/39/44/19/384394419.db2.gz RCGQJHZVNYCQJX-WCBMZHEXSA-N 0 0 245.338 3.931 20 0 BHADRN C[C@H]1CC[C@H](NCC(C)(F)F)c2sccc21 ZINC000556455528 322913402 /nfs/dbraw/zinc/91/34/02/322913402.db2.gz RCGQJHZVNYCQJX-WPRPVWTQSA-N 0 0 245.338 3.931 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N(CC)C1CCCC1 ZINC000556459515 343531331 /nfs/dbraw/zinc/53/13/31/343531331.db2.gz UGCNKZRZJCUJFG-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N(CC)C1CCCC1 ZINC000556459518 343531419 /nfs/dbraw/zinc/53/14/19/343531419.db2.gz UGCNKZRZJCUJFG-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCOc1ccc(OCC(C)C)cc1 ZINC000556495310 384411773 /nfs/dbraw/zinc/41/17/73/384411773.db2.gz LZQMZALLQVJJKD-UHFFFAOYSA-N 0 0 208.301 3.510 20 0 BHADRN Cc1cc(OC[C@@H]2CCCO2)ccc1C(C)C ZINC000556511303 322914589 /nfs/dbraw/zinc/91/45/89/322914589.db2.gz UOXMEDGEWKYLPZ-AWEZNQCLSA-N 0 0 234.339 3.676 20 0 BHADRN Cc1cc(OC[C@H]2CCCO2)ccc1C(C)C ZINC000556511307 322914631 /nfs/dbraw/zinc/91/46/31/322914631.db2.gz UOXMEDGEWKYLPZ-CQSZACIVSA-N 0 0 234.339 3.676 20 0 BHADRN CCOc1cc(NC(=O)C[C@H](C)CC)ccc1C ZINC000556568932 384429236 /nfs/dbraw/zinc/42/92/36/384429236.db2.gz ARWSDWLHKPOADI-LLVKDONJSA-N 0 0 249.354 3.768 20 0 BHADRN CCOc1cc(NC(=O)C[C@@H](C)CC)ccc1C ZINC000556568935 384429845 /nfs/dbraw/zinc/42/98/45/384429845.db2.gz ARWSDWLHKPOADI-NSHDSACASA-N 0 0 249.354 3.768 20 0 BHADRN CCOc1ccc(OC)cc1NC1CC(CC)C1 ZINC000556580941 322916329 /nfs/dbraw/zinc/91/63/29/322916329.db2.gz JNRDBSAYVCGLGG-UHFFFAOYSA-N 0 0 249.354 3.694 20 0 BHADRN CC(C)[C@@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC000556582695 322916311 /nfs/dbraw/zinc/91/63/11/322916311.db2.gz UFYZUVVWLUWYCD-GFCCVEGCSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)[C@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC000556582696 322916333 /nfs/dbraw/zinc/91/63/33/322916333.db2.gz UFYZUVVWLUWYCD-LBPRGKRZSA-N 0 0 239.403 3.563 20 0 BHADRN CCC1CC(Nc2cc(F)cc(F)c2OC)C1 ZINC000556583498 517547473 /nfs/dbraw/zinc/54/74/73/517547473.db2.gz JUSVIYYTSDINOY-UHFFFAOYSA-N 0 0 241.281 3.574 20 0 BHADRN CCOCc1ccc(N[C@H]2CCC2(C)C)cc1 ZINC000556584232 322916156 /nfs/dbraw/zinc/91/61/56/322916156.db2.gz RTIUXOIXINETPL-AWEZNQCLSA-N 0 0 233.355 3.824 20 0 BHADRN CCOCc1ccc(N[C@@H]2CCC2(C)C)cc1 ZINC000556584233 322916246 /nfs/dbraw/zinc/91/62/46/322916246.db2.gz RTIUXOIXINETPL-CQSZACIVSA-N 0 0 233.355 3.824 20 0 BHADRN CCC1CC(Nc2cccc(-c3cnco3)c2)C1 ZINC000556585274 384431496 /nfs/dbraw/zinc/43/14/96/384431496.db2.gz CYALNOLVVZYXLM-UHFFFAOYSA-N 0 0 242.322 3.942 20 0 BHADRN CCC1CC(Nc2cccc3ncccc32)C1 ZINC000556585460 322916476 /nfs/dbraw/zinc/91/64/76/322916476.db2.gz GKWKWAALJIARHN-UHFFFAOYSA-N 0 0 226.323 3.835 20 0 BHADRN Cc1ccc(C)c(SCc2ncccc2O)c1 ZINC000556684246 322919166 /nfs/dbraw/zinc/91/91/66/322919166.db2.gz XWZIRVMYWMXPHE-UHFFFAOYSA-N 0 0 245.347 3.696 20 0 BHADRN CCC(CC)N(C(=O)[C@H](C)C1CCC1)C1CC1 ZINC000556707065 322919757 /nfs/dbraw/zinc/91/97/57/322919757.db2.gz WGAISPZGFWLPEQ-LLVKDONJSA-N 0 0 237.387 3.602 20 0 BHADRN CCC(CC)N(C(=O)[C@@H](C)C1CCC1)C1CC1 ZINC000556707066 322919747 /nfs/dbraw/zinc/91/97/47/322919747.db2.gz WGAISPZGFWLPEQ-NSHDSACASA-N 0 0 237.387 3.602 20 0 BHADRN C[C@H](C(=O)Nc1cccc2cc[nH]c21)C1CCC1 ZINC000556714912 322920267 /nfs/dbraw/zinc/92/02/67/322920267.db2.gz ZCBQWQYEKLDERH-JTQLQIEISA-N 0 0 242.322 3.543 20 0 BHADRN C[C@@H](C(=O)Nc1cccc2cc[nH]c21)C1CCC1 ZINC000556714913 384461657 /nfs/dbraw/zinc/46/16/57/384461657.db2.gz ZCBQWQYEKLDERH-SNVBAGLBSA-N 0 0 242.322 3.543 20 0 BHADRN Cc1ccncc1N(C)C(=O)CCCCC(C)C ZINC000556715318 322919917 /nfs/dbraw/zinc/91/99/17/322919917.db2.gz MJRJVURRYPERTJ-UHFFFAOYSA-N 0 0 248.370 3.569 20 0 BHADRN CN(C(=O)C1(C)CCCCC1)C1CC(C)(C)C1 ZINC000556735296 322921009 /nfs/dbraw/zinc/92/10/09/322921009.db2.gz SLYIHZNVAPBYAD-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[N@H+](Cc1cnccn1)[C@@H](C)CCC ZINC000556773415 384477953 /nfs/dbraw/zinc/47/79/53/384477953.db2.gz JIUAQPMYVKQYRL-AWEZNQCLSA-N 0 0 249.402 3.657 20 0 BHADRN CCCCC[N@H+](Cc1cnccn1)[C@H](C)CCC ZINC000556773416 384476617 /nfs/dbraw/zinc/47/66/17/384476617.db2.gz JIUAQPMYVKQYRL-CQSZACIVSA-N 0 0 249.402 3.657 20 0 BHADRN CC(C)C(C)(C)NC(=O)CCCC(C)(C)C ZINC000556779910 398046010 /nfs/dbraw/zinc/04/60/10/398046010.db2.gz FJGYRTOHSAMCEM-UHFFFAOYSA-N 0 0 227.392 3.754 20 0 BHADRN CC(C)CCc1ccc(NCC2(C)COC2)cc1 ZINC000556837697 322928558 /nfs/dbraw/zinc/92/85/58/322928558.db2.gz LECGKIFRLSWFNE-UHFFFAOYSA-N 0 0 247.382 3.724 20 0 BHADRN CCCN(Cc1ccc(CC)s1)CC(F)F ZINC000556839399 384516747 /nfs/dbraw/zinc/51/67/47/384516747.db2.gz BUMPBZMMGBGCHC-UHFFFAOYSA-N 0 0 247.354 3.788 20 0 BHADRN Cc1cc(Cl)cc(C[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000556853732 384531376 /nfs/dbraw/zinc/53/13/76/384531376.db2.gz JPZTWJDHOSBOTB-PHIMTYICSA-N 0 0 223.747 3.631 20 0 BHADRN CC1(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000556876484 384587052 /nfs/dbraw/zinc/58/70/52/384587052.db2.gz DRDOIPRIWFAMLP-BFHYXJOUSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000556876488 322930101 /nfs/dbraw/zinc/93/01/01/322930101.db2.gz DRDOIPRIWFAMLP-HZSPNIEDSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000556876491 384586149 /nfs/dbraw/zinc/58/61/49/384586149.db2.gz DRDOIPRIWFAMLP-MELADBBJSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000556876494 384586983 /nfs/dbraw/zinc/58/69/83/384586983.db2.gz DRDOIPRIWFAMLP-MGPQQGTHSA-N 0 0 249.398 3.509 20 0 BHADRN CC(C)CN(CCOC(C)C)c1ccccc1 ZINC000556883296 384599471 /nfs/dbraw/zinc/59/94/71/384599471.db2.gz BLIWLIWBWNTIDE-UHFFFAOYSA-N 0 0 235.371 3.574 20 0 BHADRN Cc1nocc1-c1nc2ccccc2n1C(C)C ZINC000556888486 384603838 /nfs/dbraw/zinc/60/38/38/384603838.db2.gz RXMDQEIQUXHUGA-UHFFFAOYSA-N 0 0 241.294 3.581 20 0 BHADRN COc1ccc(F)c(N[C@H]2CC[C@H]2C(C)C)c1 ZINC000556891430 384613845 /nfs/dbraw/zinc/61/38/45/384613845.db2.gz YTRGRSJKKXNRRF-AAEUAGOBSA-N 0 0 237.318 3.681 20 0 BHADRN COc1ccc(F)c(N[C@@H]2CC[C@@H]2C(C)C)c1 ZINC000556891431 384616014 /nfs/dbraw/zinc/61/60/14/384616014.db2.gz YTRGRSJKKXNRRF-DGCLKSJQSA-N 0 0 237.318 3.681 20 0 BHADRN COc1ccc(F)c(N[C@@H]2CC[C@H]2C(C)C)c1 ZINC000556891433 384615964 /nfs/dbraw/zinc/61/59/64/384615964.db2.gz YTRGRSJKKXNRRF-WCQYABFASA-N 0 0 237.318 3.681 20 0 BHADRN COc1ccc(F)c(N[C@H]2CC[C@@H]2C(C)C)c1 ZINC000556891435 384614183 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CC1CC(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)C1 ZINC000556894719 384619378 /nfs/dbraw/zinc/61/93/78/384619378.db2.gz DAQDABLRYZIVNO-FWJBWGTRSA-N 0 0 249.398 3.508 20 0 BHADRN CC1CC(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)C1 ZINC000556894720 322930425 /nfs/dbraw/zinc/93/04/25/322930425.db2.gz DAQDABLRYZIVNO-NNVWEFMASA-N 0 0 249.398 3.508 20 0 BHADRN CC1CC(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 ZINC000556894721 322930389 /nfs/dbraw/zinc/93/03/89/322930389.db2.gz DAQDABLRYZIVNO-VIGLNQMMSA-N 0 0 249.398 3.508 20 0 BHADRN COc1ccc(F)cc1N[C@H]1CC[C@@H]1C(C)C ZINC000556895547 384620572 /nfs/dbraw/zinc/62/05/72/384620572.db2.gz PDYOONZSNFXIMW-NEPJUHHUSA-N 0 0 237.318 3.681 20 0 BHADRN COc1ccc(F)cc1N[C@@H]1CC[C@H]1C(C)C ZINC000556895548 322930613 /nfs/dbraw/zinc/93/06/13/322930613.db2.gz PDYOONZSNFXIMW-NWDGAFQWSA-N 0 0 237.318 3.681 20 0 BHADRN COc1ccc(F)cc1N[C@H]1CC[C@H]1C(C)C ZINC000556895550 384622575 /nfs/dbraw/zinc/62/25/75/384622575.db2.gz PDYOONZSNFXIMW-RYUDHWBXSA-N 0 0 237.318 3.681 20 0 BHADRN 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322936619 /nfs/dbraw/zinc/93/66/19/322936619.db2.gz YAKLNBXTGAUSNJ-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CC[C@H](C)NC(=O)CCCCC(C)(C)C ZINC000557350716 384918462 /nfs/dbraw/zinc/91/84/62/384918462.db2.gz YAKLNBXTGAUSNJ-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CC(C)(C)CCCCC(=O)N1CCCCCC1 ZINC000557351039 384918084 /nfs/dbraw/zinc/91/80/84/384918084.db2.gz TVKDTQBIVRXCLS-UHFFFAOYSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCCC(=O)N1CC2(CCC2)[C@@H]1C(C)C ZINC000557369050 384917209 /nfs/dbraw/zinc/91/72/09/384917209.db2.gz OBSAOMWUMLMNGO-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC(=O)N1CC2(CCC2)[C@H]1C(C)C ZINC000557369052 322936765 /nfs/dbraw/zinc/93/67/65/322936765.db2.gz OBSAOMWUMLMNGO-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)(C)CCCCC(=O)NCC1CCCC1 ZINC000557405784 384927390 /nfs/dbraw/zinc/92/73/90/384927390.db2.gz LWIKDLPPXRTAMC-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CN(C(=O)CCCCC(C)(C)C)C1CCC1 ZINC000557418483 398068898 /nfs/dbraw/zinc/06/88/98/398068898.db2.gz CCUKHILSJLIZHQ-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1cccc(NC(=O)CCCCC(C)(C)C)n1 ZINC000557427313 384940491 /nfs/dbraw/zinc/94/04/91/384940491.db2.gz JIRDTHHGKOKNEQ-UHFFFAOYSA-N 0 0 248.370 3.935 20 0 BHADRN C/C=C\c1ccc(NC(=O)CC(C)C)cc1 ZINC000557437760 322937225 /nfs/dbraw/zinc/93/72/25/322937225.db2.gz XYFXQLRFYBPHHI-PLNGDYQASA-N 0 0 217.312 3.704 20 0 BHADRN CCN(C(=O)CCCCC(C)(C)C)C(C)C ZINC000557442568 322937469 /nfs/dbraw/zinc/93/74/69/322937469.db2.gz HCLXHXGXPMYFCW-UHFFFAOYSA-N 0 0 227.392 3.850 20 0 BHADRN CC(C)(C)C(C)(C)C(=O)NCC1CCCCC1 ZINC000557444751 322937372 /nfs/dbraw/zinc/93/73/72/322937372.db2.gz WELUFDVBWIQIMT-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CCC(=O)NC1(C(F)F)CCCCC1 ZINC000557453930 322937567 /nfs/dbraw/zinc/93/75/67/322937567.db2.gz LKONIDHXSSBEIN-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)(C)CC(=O)NC1(C(F)F)CCCCC1 ZINC000557454451 322937706 /nfs/dbraw/zinc/93/77/06/322937706.db2.gz SWERQKAMDNSABC-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CCC(CC)C(=O)NC1(C(F)F)CCCCC1 ZINC000557455147 384954573 /nfs/dbraw/zinc/95/45/73/384954573.db2.gz PYEQFZOUAQDFOI-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CCC(C)(C)c1ccc(Oc2cccnn2)cc1 ZINC000557467064 322937810 /nfs/dbraw/zinc/93/78/10/322937810.db2.gz GRRATELXIVWJHJ-UHFFFAOYSA-N 0 0 242.322 3.957 20 0 BHADRN CCc1nc(C)cc(Oc2ccc(C)c(C)c2)n1 ZINC000557467358 322937900 /nfs/dbraw/zinc/93/79/00/322937900.db2.gz KZINOWBXRORUFX-UHFFFAOYSA-N 0 0 242.322 3.757 20 0 BHADRN O=C(CCCC1CCCC1)N1CC(C2CCC2)C1 ZINC000557468066 322937809 /nfs/dbraw/zinc/93/78/09/322937809.db2.gz CRAZFLMKTPCRBE-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(CCC1CCCCC1)N1CC(C2CCC2)C1 ZINC000557469063 384962823 /nfs/dbraw/zinc/96/28/23/384962823.db2.gz HINZLFJLVZRNAZ-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C(=O)N2CC(C3CCC3)C2)CCCCC1 ZINC000557470121 322937853 /nfs/dbraw/zinc/93/78/53/322937853.db2.gz SCXISVFHOLICOE-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN CCCCc1ccc(Nc2cccnn2)cc1 ZINC000557470335 322937849 /nfs/dbraw/zinc/93/78/49/322937849.db2.gz AUSYVRRKGBYLLC-UHFFFAOYSA-N 0 0 227.311 3.563 20 0 BHADRN CC(C)(CCNC(=O)C1=CCCCCC1)C1CC1 ZINC000557486873 322938282 /nfs/dbraw/zinc/93/82/82/322938282.db2.gz NONWTQIDKLTTDR-UHFFFAOYSA-N 0 0 249.398 3.819 20 0 BHADRN CC(C)=CCOc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000557489897 322938099 /nfs/dbraw/zinc/93/80/99/322938099.db2.gz XSBDCZWTHSRNOF-JTQLQIEISA-N 0 0 248.297 3.861 20 0 BHADRN CC(C)=CCOc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000557489899 384970880 /nfs/dbraw/zinc/97/08/80/384970880.db2.gz XSBDCZWTHSRNOF-SNVBAGLBSA-N 0 0 248.297 3.861 20 0 BHADRN CC(C)[C@@H](C)N(C)c1ccnc(C(F)(F)F)c1 ZINC000557494129 384976340 /nfs/dbraw/zinc/97/63/40/384976340.db2.gz DNLVFLBMBFBRDI-SECBINFHSA-N 0 0 246.276 3.581 20 0 BHADRN CC(C)[C@H](C)N(C)c1ccnc(C(F)(F)F)c1 ZINC000557494132 322938258 /nfs/dbraw/zinc/93/82/58/322938258.db2.gz DNLVFLBMBFBRDI-VIFPVBQESA-N 0 0 246.276 3.581 20 0 BHADRN CC[C@@H]1CCCN1C(=O)CCCCC(C)(C)C ZINC000557503314 384983870 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WLUUXBJLJYHZLI-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CN(c1cccnn1)C1CCC(C(C)(C)C)CC1 ZINC000557515058 322938644 /nfs/dbraw/zinc/93/86/44/322938644.db2.gz QKMMBBKEQZYUMG-UHFFFAOYSA-N 0 0 247.386 3.518 20 0 BHADRN CC(C)(C)C(C)(C)C(=O)NCCC1CCCC1 ZINC000557518195 322938598 /nfs/dbraw/zinc/93/85/98/322938598.db2.gz WCFPBUDWINAZDX-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)C[C@H]1C[C@H]1C ZINC000557532031 385008413 /nfs/dbraw/zinc/00/84/13/385008413.db2.gz VBINOYLRUJJLCY-NXEZZACHSA-N 0 0 237.730 3.633 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C[C@@H]1C ZINC000557532032 518188977 /nfs/dbraw/zinc/18/89/77/518188977.db2.gz VBINOYLRUJJLCY-UWVGGRQHSA-N 0 0 237.730 3.633 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)C[C@H]1C[C@@H]1C ZINC000557532033 385006967 /nfs/dbraw/zinc/00/69/67/385006967.db2.gz VBINOYLRUJJLCY-VHSXEESVSA-N 0 0 237.730 3.633 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C[C@H]1C ZINC000557532034 322938970 /nfs/dbraw/zinc/93/89/70/322938970.db2.gz VBINOYLRUJJLCY-ZJUUUORDSA-N 0 0 237.730 3.633 20 0 BHADRN CC(C)(C)CCCCC(=O)N1CCC1(C)C ZINC000557556728 322939239 /nfs/dbraw/zinc/93/92/39/322939239.db2.gz BZJMZCSPCRWZLW-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC(CCC)Sc1cccnn1 ZINC000557556871 322939247 /nfs/dbraw/zinc/93/92/47/322939247.db2.gz RZBKJSVJAASZLE-UHFFFAOYSA-N 0 0 210.346 3.538 20 0 BHADRN CC1CC(NC(=O)CCCCC(C)(C)C)C1 ZINC000557561494 322939382 /nfs/dbraw/zinc/93/93/82/322939382.db2.gz YKBXLEZVTCVFPF-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H]1CCN(C(=O)CCCCC(C)(C)C)[C@@H]1C ZINC000557562757 322939311 /nfs/dbraw/zinc/93/93/11/322939311.db2.gz DOQZKIVJEDVWSP-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H]1CCN(C(=O)CCCCC(C)(C)C)[C@H]1C ZINC000557562758 322939364 /nfs/dbraw/zinc/93/93/64/322939364.db2.gz DOQZKIVJEDVWSP-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H]1[C@@H](C)CCN1C(=O)CCCCC(C)(C)C ZINC000557562759 385018022 /nfs/dbraw/zinc/01/80/22/385018022.db2.gz DOQZKIVJEDVWSP-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H]1CCN(C(=O)CCCCC(C)(C)C)[C@H]1C ZINC000557562760 322939318 /nfs/dbraw/zinc/93/93/18/322939318.db2.gz DOQZKIVJEDVWSP-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN Cc1ccnc(N2CCCC(C)(C)C2)c1Cl ZINC000557566663 322939323 /nfs/dbraw/zinc/93/93/23/322939323.db2.gz QZHXGXCRLNEWED-UHFFFAOYSA-N 0 0 238.762 3.670 20 0 BHADRN CC(C)c1ccc(CSc2cccnn2)cc1 ZINC000557570954 385018483 /nfs/dbraw/zinc/01/84/83/385018483.db2.gz WZQXXETXXPZZOD-UHFFFAOYSA-N 0 0 244.363 3.892 20 0 BHADRN CC(C)(C)CCCCC(=O)NCC1(C)CCC1 ZINC000557575130 322939532 /nfs/dbraw/zinc/93/95/32/322939532.db2.gz LWBMOSUQEMDTFS-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CC(C)(C)C(C)(C)C(=O)NC[C@@H]1CC=CCC1 ZINC000557576281 322939475 /nfs/dbraw/zinc/93/94/75/322939475.db2.gz LFRQGGDCMRZWDO-GFCCVEGCSA-N 0 0 237.387 3.531 20 0 BHADRN CC(C)(C)C(C)(C)C(=O)NC[C@H]1CC=CCC1 ZINC000557576282 322939531 /nfs/dbraw/zinc/93/95/31/322939531.db2.gz LFRQGGDCMRZWDO-LBPRGKRZSA-N 0 0 237.387 3.531 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@H]1CCc2c1cccc2C ZINC000557579240 322939646 /nfs/dbraw/zinc/93/96/46/322939646.db2.gz RVBGGGFKMNLUBR-ABAIWWIYSA-N 0 0 245.366 3.535 20 0 BHADRN CC[C@@H](C)CC(=O)N[C@@H]1CCc2c1cccc2C ZINC000557579241 322939629 /nfs/dbraw/zinc/93/96/29/322939629.db2.gz RVBGGGFKMNLUBR-IAQYHMDHSA-N 0 0 245.366 3.535 20 0 BHADRN CC[C@H](C)CC(=O)N[C@H]1CCc2c1cccc2C ZINC000557579242 322939631 /nfs/dbraw/zinc/93/96/31/322939631.db2.gz RVBGGGFKMNLUBR-NHYWBVRUSA-N 0 0 245.366 3.535 20 0 BHADRN CC[C@H](C)CC(=O)N[C@@H]1CCc2c1cccc2C ZINC000557579243 322939607 /nfs/dbraw/zinc/93/96/07/322939607.db2.gz RVBGGGFKMNLUBR-XHDPSFHLSA-N 0 0 245.366 3.535 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccnc2cc(F)cnc21 ZINC000557587884 322939581 /nfs/dbraw/zinc/93/95/81/322939581.db2.gz FSIBIPFURZFHDR-NXEZZACHSA-N 0 0 247.317 3.615 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccnc2cc(F)cnc21 ZINC000557587891 322939664 /nfs/dbraw/zinc/93/96/64/322939664.db2.gz FSIBIPFURZFHDR-UWVGGRQHSA-N 0 0 247.317 3.615 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccnc2cc(F)cnc21 ZINC000557587894 385023384 /nfs/dbraw/zinc/02/33/84/385023384.db2.gz FSIBIPFURZFHDR-VHSXEESVSA-N 0 0 247.317 3.615 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccnc2cc(F)cnc21 ZINC000557587897 322939628 /nfs/dbraw/zinc/93/96/28/322939628.db2.gz FSIBIPFURZFHDR-ZJUUUORDSA-N 0 0 247.317 3.615 20 0 BHADRN CCCCC[C@@H]1CCCN1c1ccc(F)cn1 ZINC000557626641 385057750 /nfs/dbraw/zinc/05/77/50/385057750.db2.gz SEXCDZWOWHOVJC-CYBMUJFWSA-N 0 0 236.334 3.770 20 0 BHADRN CCCCC[C@H]1CCCN1c1ccc(F)cn1 ZINC000557626648 385057661 /nfs/dbraw/zinc/05/76/61/385057661.db2.gz SEXCDZWOWHOVJC-ZDUSSCGKSA-N 0 0 236.334 3.770 20 0 BHADRN C[C@H]1CCCN1c1ccnc2c(Cl)cccc12 ZINC000557630567 343714636 /nfs/dbraw/zinc/71/46/36/343714636.db2.gz LVSPILQBBPOGOB-JTQLQIEISA-N 0 0 246.741 3.877 20 0 BHADRN C[C@@H]1CCCN1c1ccnc2c(Cl)cccc12 ZINC000557630568 343714665 /nfs/dbraw/zinc/71/46/65/343714665.db2.gz LVSPILQBBPOGOB-SNVBAGLBSA-N 0 0 246.741 3.877 20 0 BHADRN c1ccc(C2CC2)c(CSc2cccnn2)c1 ZINC000557649093 385076963 /nfs/dbraw/zinc/07/69/63/385076963.db2.gz AWPKDSRMASMWGW-UHFFFAOYSA-N 0 0 242.347 3.646 20 0 BHADRN CC(C)c1noc(CCCCC(C)(C)C)n1 ZINC000557650715 385073647 /nfs/dbraw/zinc/07/36/47/385073647.db2.gz MMQDIXFOGNDGSR-UHFFFAOYSA-N 0 0 224.348 3.952 20 0 BHADRN CC1=CCCN(c2ncc(Cl)cc2Cl)C1 ZINC000557662649 322940931 /nfs/dbraw/zinc/94/09/31/322940931.db2.gz OYZWKHNTCKDUDI-UHFFFAOYSA-N 0 0 243.137 3.545 20 0 BHADRN C[C@H]1C[C@H](C)N1C(=O)CCCCC(C)(C)C ZINC000557664890 322940746 /nfs/dbraw/zinc/94/07/46/322940746.db2.gz ULBFJHIVFPTXOQ-RYUDHWBXSA-N 0 0 225.376 3.602 20 0 BHADRN C[C@@H]1C[C@H](C)N1C(=O)CCCCC(C)(C)C ZINC000557664891 385083571 /nfs/dbraw/zinc/08/35/71/385083571.db2.gz ULBFJHIVFPTXOQ-TXEJJXNPSA-N 0 0 225.376 3.602 20 0 BHADRN C[C@@H]1C[C@@H](C)N1C(=O)CCCCC(C)(C)C ZINC000557664892 385083034 /nfs/dbraw/zinc/08/30/34/385083034.db2.gz ULBFJHIVFPTXOQ-VXGBXAGGSA-N 0 0 225.376 3.602 20 0 BHADRN Cc1ccnc(N2CCC(C)=C(C)C2)c1Cl ZINC000557669939 385085366 /nfs/dbraw/zinc/08/53/66/385085366.db2.gz OYEFMHSTWHWJEJ-UHFFFAOYSA-N 0 0 236.746 3.590 20 0 BHADRN CC(C)(Sc1cccnn1)c1ccccc1 ZINC000557673404 322940888 /nfs/dbraw/zinc/94/08/88/322940888.db2.gz HLXKLDOMZRNNLY-UHFFFAOYSA-N 0 0 230.336 3.504 20 0 BHADRN CCc1ccc(NC(=O)C2=CCCC2)cc1Cl ZINC000557676385 322941071 /nfs/dbraw/zinc/94/10/71/322941071.db2.gz GKPRFXQGWMRRQC-UHFFFAOYSA-N 0 0 249.741 3.951 20 0 BHADRN CC1=CCCN(C(=O)CCCCC(C)(C)C)C1 ZINC000557678432 385089193 /nfs/dbraw/zinc/08/91/93/385089193.db2.gz QBTWLXKWOWLRDI-UHFFFAOYSA-N 0 0 237.387 3.772 20 0 BHADRN CCc1nc(C)cc(Oc2cc(F)ccc2C)n1 ZINC000557685025 385090745 /nfs/dbraw/zinc/09/07/45/385090745.db2.gz YUFPVOJZQXXNAS-UHFFFAOYSA-N 0 0 246.285 3.587 20 0 BHADRN Cc1ccc(SCCOC2CCC2)cc1C ZINC000557747594 385108057 /nfs/dbraw/zinc/10/80/57/385108057.db2.gz AYDKNXSNOIKZSL-UHFFFAOYSA-N 0 0 236.380 3.965 20 0 BHADRN CCC1(CC)CN(C(=O)C2(C)CCCCC2)C1 ZINC000557758264 322941824 /nfs/dbraw/zinc/94/18/24/322941824.db2.gz RUQLDKHOCCGJGB-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@H]1C[C@H](c2ccccc2)N(c2ccccn2)C1 ZINC000557760869 385112886 /nfs/dbraw/zinc/11/28/86/385112886.db2.gz AWBVOWPYPNOJPP-DZGCQCFKSA-N 0 0 238.334 3.669 20 0 BHADRN C[C@@H]1C[C@@H](c2ccccc2)N(c2ccccn2)C1 ZINC000557760878 385112432 /nfs/dbraw/zinc/11/24/32/385112432.db2.gz AWBVOWPYPNOJPP-HIFRSBDPSA-N 0 0 238.334 3.669 20 0 BHADRN C[C@@H]1C[C@H](c2ccccc2)N(c2ccccn2)C1 ZINC000557760879 385112370 /nfs/dbraw/zinc/11/23/70/385112370.db2.gz AWBVOWPYPNOJPP-UKRRQHHQSA-N 0 0 238.334 3.669 20 0 BHADRN C[C@H]1C[C@@H](c2ccccc2)N(c2ccccn2)C1 ZINC000557760880 322941768 /nfs/dbraw/zinc/94/17/68/322941768.db2.gz AWBVOWPYPNOJPP-ZFWWWQNUSA-N 0 0 238.334 3.669 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@H]1CC[C@H]1C ZINC000557762074 491118557 /nfs/dbraw/zinc/11/85/57/491118557.db2.gz LINATCKGIAEMCO-AGIUHOORSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@H]1CC[C@@H]1C ZINC000557762076 322941912 /nfs/dbraw/zinc/94/19/12/322941912.db2.gz LINATCKGIAEMCO-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@@H]1CC[C@H]1C ZINC000557762078 491118555 /nfs/dbraw/zinc/11/85/55/491118555.db2.gz LINATCKGIAEMCO-FRRDWIJNSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@@H]1CC[C@@H]1C ZINC000557762079 398077394 /nfs/dbraw/zinc/07/73/94/398077394.db2.gz LINATCKGIAEMCO-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N[C@H]1CC[C@H]1C ZINC000557769193 322942146 /nfs/dbraw/zinc/94/21/46/322942146.db2.gz WHNWUCNNQCLGOH-BNOWGMLFSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CC[C@@H]1C ZINC000557769194 322942126 /nfs/dbraw/zinc/94/21/26/322942126.db2.gz WHNWUCNNQCLGOH-IACUBPJLSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CC[C@H]1C ZINC000557769195 322942134 /nfs/dbraw/zinc/94/21/34/322942134.db2.gz WHNWUCNNQCLGOH-MRVWCRGKSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N[C@H]1CC[C@@H]1C ZINC000557769196 322942133 /nfs/dbraw/zinc/94/21/33/322942133.db2.gz WHNWUCNNQCLGOH-YUTCNCBUSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCN(CCCCC)C(=O)N(C)CC ZINC000557798929 322942431 /nfs/dbraw/zinc/94/24/31/322942431.db2.gz VHEZOMHJCRLYSR-UHFFFAOYSA-N 0 0 242.407 3.741 20 0 BHADRN Cc1cccnc1SCCOc1ccccc1 ZINC000557820043 322942735 /nfs/dbraw/zinc/94/27/35/322942735.db2.gz FEQUHYQICSSEJO-UHFFFAOYSA-N 0 0 245.347 3.561 20 0 BHADRN Cc1cccnc1SCCc1ccccc1 ZINC000557822265 385175868 /nfs/dbraw/zinc/17/58/68/385175868.db2.gz YPCHRFPTHIMDEF-UHFFFAOYSA-N 0 0 229.348 3.725 20 0 BHADRN Cc1ccc(CSc2ncccc2C)cc1 ZINC000557829981 385192913 /nfs/dbraw/zinc/19/29/13/385192913.db2.gz KCAMIPCXIWMWDC-UHFFFAOYSA-N 0 0 229.348 3.991 20 0 BHADRN O=C1CCc2c1ccc(OCC1CCCC1)c2F ZINC000557830475 322943164 /nfs/dbraw/zinc/94/31/64/322943164.db2.gz GGDSWVJGGUCLFS-UHFFFAOYSA-N 0 0 248.297 3.524 20 0 BHADRN C/C=C\c1ccc(NC(=O)C2CC=CC2)cc1 ZINC000557936413 322944561 /nfs/dbraw/zinc/94/45/61/322944561.db2.gz FHULWDNGQFPAOO-DJWKRKHSSA-N 0 0 227.307 3.624 20 0 BHADRN C/C=C/c1ccc(NC(=O)C2CC=CC2)cc1 ZINC000557936415 322944490 /nfs/dbraw/zinc/94/44/90/322944490.db2.gz FHULWDNGQFPAOO-GORDUTHDSA-N 0 0 227.307 3.624 20 0 BHADRN C/C=C/c1ccc(NC(=O)CSCCC)cc1 ZINC000557936489 385237969 /nfs/dbraw/zinc/23/79/69/385237969.db2.gz HUKGJGZHVMUBBQ-HWKANZROSA-N 0 0 249.379 3.801 20 0 BHADRN C/C=C\c1ccc(NC(=O)CSCCC)cc1 ZINC000557936490 322944487 /nfs/dbraw/zinc/94/44/87/322944487.db2.gz HUKGJGZHVMUBBQ-HYXAFXHYSA-N 0 0 249.379 3.801 20 0 BHADRN C/C=C\c1ccc(NC(=O)C2CCCC2)cc1 ZINC000557960083 385249698 /nfs/dbraw/zinc/24/96/98/385249698.db2.gz ZVOCMGRDONKBGX-DJWKRKHSSA-N 0 0 229.323 3.848 20 0 BHADRN C/C=C/c1ccc(NC(=O)C2CCCC2)cc1 ZINC000557960088 322944701 /nfs/dbraw/zinc/94/47/01/322944701.db2.gz ZVOCMGRDONKBGX-GORDUTHDSA-N 0 0 229.323 3.848 20 0 BHADRN CC(C)(C)CCCCC(=O)N[C@@H]1CCC1(C)C ZINC000557977939 322944814 /nfs/dbraw/zinc/94/48/14/322944814.db2.gz CKIKUAQAZDASBQ-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)(C)CCCCC(=O)N[C@H]1CCC1(C)C ZINC000557977941 322944813 /nfs/dbraw/zinc/94/48/13/322944813.db2.gz CKIKUAQAZDASBQ-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCN(C(=O)CC(C)C)C1CCCCC1 ZINC000557977952 385255890 /nfs/dbraw/zinc/25/58/90/385255890.db2.gz LWPIFGDGSNHAQC-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)N[C@H]1CCC1(C)C ZINC000557979414 322944923 /nfs/dbraw/zinc/94/49/23/322944923.db2.gz JZNSBIQQKQQPBX-AGIUHOORSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCC1(C)C ZINC000557979415 385264365 /nfs/dbraw/zinc/26/43/65/385264365.db2.gz JZNSBIQQKQQPBX-FRRDWIJNSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCC1(C)C ZINC000557979417 322944931 /nfs/dbraw/zinc/94/49/31/322944931.db2.gz JZNSBIQQKQQPBX-JHJVBQTASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CCC1(C)C ZINC000557979419 322945024 /nfs/dbraw/zinc/94/50/24/322945024.db2.gz JZNSBIQQKQQPBX-UPJWGTAASA-N 0 0 237.387 3.508 20 0 BHADRN Cc1ccc(C(=O)NCCC(C)(C)C2CC2)cc1 ZINC000557987178 322944969 /nfs/dbraw/zinc/94/49/69/322944969.db2.gz DNQGQDZZXRLKAG-UHFFFAOYSA-N 0 0 245.366 3.551 20 0 BHADRN CCCCCC(=O)NC[C@H]1CCCC1(C)C ZINC000557998542 385271235 /nfs/dbraw/zinc/27/12/35/385271235.db2.gz UQFAUYGVHOZIEY-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCC(=O)NC[C@@H]1CCCC1(C)C ZINC000557998544 385271218 /nfs/dbraw/zinc/27/12/18/385271218.db2.gz UQFAUYGVHOZIEY-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CC(C)Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000558009993 385282396 /nfs/dbraw/zinc/28/23/96/385282396.db2.gz GROCAGIZRKTVMB-UHFFFAOYSA-N 0 0 236.702 3.589 20 0 BHADRN CCCC(CCC)C(=O)N[C@@H]1CCC1(C)C ZINC000558010388 385282818 /nfs/dbraw/zinc/28/28/18/385282818.db2.gz HVWOWWQUZJPYMQ-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(CCC)C(=O)N[C@H]1CCC1(C)C ZINC000558010389 385282255 /nfs/dbraw/zinc/28/22/55/385282255.db2.gz HVWOWWQUZJPYMQ-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN Cc1cc(C)c(C(=O)N[C@@H]2CCC2(C)C)c(C)c1 ZINC000558011749 385282226 /nfs/dbraw/zinc/28/22/26/385282226.db2.gz NYJLJFGNIQFEIJ-CYBMUJFWSA-N 0 0 245.366 3.530 20 0 BHADRN Cc1cc(C)c(C(=O)N[C@H]2CCC2(C)C)c(C)c1 ZINC000558011752 385282250 /nfs/dbraw/zinc/28/22/50/385282250.db2.gz NYJLJFGNIQFEIJ-ZDUSSCGKSA-N 0 0 245.366 3.530 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N[C@@H]1CCC1(C)C ZINC000558017085 385282442 /nfs/dbraw/zinc/28/24/42/385282442.db2.gz ZABKLANJXPEUKB-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N[C@H]1CCC1(C)C ZINC000558017087 385282293 /nfs/dbraw/zinc/28/22/93/385282293.db2.gz ZABKLANJXPEUKB-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@@H]1CCC1(C)C ZINC000558017088 322945286 /nfs/dbraw/zinc/94/52/86/322945286.db2.gz ZABKLANJXPEUKB-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@H]1CCC1(C)C ZINC000558017089 385281588 /nfs/dbraw/zinc/28/15/88/385281588.db2.gz ZABKLANJXPEUKB-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)=CCn1cc(-c2ccc(C)cc2)cn1 ZINC000558021101 385285472 /nfs/dbraw/zinc/28/54/72/385285472.db2.gz JRCYQXIAKXRXLT-UHFFFAOYSA-N 0 0 226.323 3.825 20 0 BHADRN CCC1(C(=O)N[C@@H]2CCC2(C)C)CCCCC1 ZINC000558025654 385287570 /nfs/dbraw/zinc/28/75/70/385287570.db2.gz XWKNTSNIGNOSHV-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCC1(C(=O)N[C@H]2CCC2(C)C)CCCCC1 ZINC000558025655 322945428 /nfs/dbraw/zinc/94/54/28/322945428.db2.gz XWKNTSNIGNOSHV-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@H]1CCC1(C)C ZINC000558026182 322945423 /nfs/dbraw/zinc/94/54/23/322945423.db2.gz QFDKFLCZIJMABG-NEPJUHHUSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1CCC1(C)C ZINC000558026184 385287439 /nfs/dbraw/zinc/28/74/39/385287439.db2.gz QFDKFLCZIJMABG-NWDGAFQWSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N[C@H]1CCC1(C)C ZINC000558026186 385287656 /nfs/dbraw/zinc/28/76/56/385287656.db2.gz QFDKFLCZIJMABG-RYUDHWBXSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1CCC1(C)C ZINC000558026187 322945412 /nfs/dbraw/zinc/94/54/12/322945412.db2.gz QFDKFLCZIJMABG-VXGBXAGGSA-N 0 0 239.403 3.754 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N[C@@H]1CCC[C@@H]1F ZINC000558029931 322945421 /nfs/dbraw/zinc/94/54/21/322945421.db2.gz ADBSVGAGNZHNHC-FRRDWIJNSA-N 0 0 243.366 3.600 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@@H]1CCC[C@@H]1F ZINC000558029932 398081554 /nfs/dbraw/zinc/08/15/54/398081554.db2.gz ADBSVGAGNZHNHC-RWMBFGLXSA-N 0 0 243.366 3.600 20 0 BHADRN CC(C)(C)CCCn1cnc(-c2ccccc2)n1 ZINC000558056904 385292720 /nfs/dbraw/zinc/29/27/20/385292720.db2.gz LCLGBTRETUQFKO-UHFFFAOYSA-N 0 0 243.354 3.771 20 0 BHADRN CCCN(CC(C)C)C(=O)CC1(C)CCCC1 ZINC000558056945 385291924 /nfs/dbraw/zinc/29/19/24/385291924.db2.gz UJPIBRKTMKIKRN-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)=CCSCc1ccn(C(C)C)n1 ZINC000558083850 322945827 /nfs/dbraw/zinc/94/58/27/322945827.db2.gz DTGNGHXQWGBIIZ-UHFFFAOYSA-N 0 0 224.373 3.663 20 0 BHADRN CC(C)=CCS[C@@H](C)c1nc(C(C)C)no1 ZINC000558084146 322945830 /nfs/dbraw/zinc/94/58/30/322945830.db2.gz JBTDTMGHZUFWFX-JTQLQIEISA-N 0 0 240.372 3.953 20 0 BHADRN CC(C)=CCS[C@H](C)c1nc(C(C)C)no1 ZINC000558084152 322945868 /nfs/dbraw/zinc/94/58/68/322945868.db2.gz JBTDTMGHZUFWFX-SNVBAGLBSA-N 0 0 240.372 3.953 20 0 BHADRN C[C@@H](SCC(C)(C)O)c1cccc(Cl)c1 ZINC000558084508 385298264 /nfs/dbraw/zinc/29/82/64/385298264.db2.gz KCPBRUMFYSSAGK-SECBINFHSA-N 0 0 244.787 3.905 20 0 BHADRN C[C@H](SCC(C)(C)O)c1cccc(Cl)c1 ZINC000558084511 322945776 /nfs/dbraw/zinc/94/57/76/322945776.db2.gz KCPBRUMFYSSAGK-VIFPVBQESA-N 0 0 244.787 3.905 20 0 BHADRN CCCC[C@@H](CC)CSCC(C)(C)O ZINC000558084944 385297397 /nfs/dbraw/zinc/29/73/97/385297397.db2.gz PVSNQLDKFMBRBG-LLVKDONJSA-N 0 0 218.406 3.707 20 0 BHADRN CCCC[C@H](CC)CSCC(C)(C)O ZINC000558084948 385298281 /nfs/dbraw/zinc/29/82/81/385298281.db2.gz PVSNQLDKFMBRBG-NSHDSACASA-N 0 0 218.406 3.707 20 0 BHADRN Cc1ccccc1N(CCOC1CCC1)C(C)C ZINC000558100078 322946066 /nfs/dbraw/zinc/94/60/66/322946066.db2.gz FZHUUYHVUFZJGT-UHFFFAOYSA-N 0 0 247.382 3.779 20 0 BHADRN CC1(CNC(=O)CC2(C)CCCC2)CCCC1 ZINC000558104217 385309347 /nfs/dbraw/zinc/30/93/47/385309347.db2.gz OTGXZKFBODKYSE-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN Cc1cccc(N(CCOC2CCC2)C(C)C)c1 ZINC000558104383 322946120 /nfs/dbraw/zinc/94/61/20/322946120.db2.gz QWHVJBZSVCJMRW-UHFFFAOYSA-N 0 0 247.382 3.779 20 0 BHADRN CC(C)=CCSCc1cn2cccc(C)c2n1 ZINC000558110134 385312733 /nfs/dbraw/zinc/31/27/33/385312733.db2.gz HEGLLRNJUFQMRE-UHFFFAOYSA-N 0 0 246.379 3.842 20 0 BHADRN CC1(CC(=O)N(CC2CC2)CC2CC2)CCCC1 ZINC000558120191 322946177 /nfs/dbraw/zinc/94/61/77/322946177.db2.gz BQYYGSPYZJJNIQ-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N1CC[C@H]1CC ZINC000558162376 322946590 /nfs/dbraw/zinc/94/65/90/322946590.db2.gz XGXYXPYATJAVCG-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N1CC[C@@H]1CC ZINC000558162377 322946599 /nfs/dbraw/zinc/94/65/99/322946599.db2.gz XGXYXPYATJAVCG-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1CC[C@H]1CC ZINC000558162379 322946595 /nfs/dbraw/zinc/94/65/95/322946595.db2.gz XGXYXPYATJAVCG-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1CC[C@@H]1CC ZINC000558162380 383823673 /nfs/dbraw/zinc/82/36/73/383823673.db2.gz XGXYXPYATJAVCG-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CC1(C)CN(CC(F)(F)F)[C@@H]1c1cccs1 ZINC000558179015 383833431 /nfs/dbraw/zinc/83/34/31/383833431.db2.gz FABXYMHKUIZRMG-SECBINFHSA-N 0 0 249.301 3.693 20 0 BHADRN CC1(C)CN(CC(F)(F)F)[C@H]1c1cccs1 ZINC000558179016 383832460 /nfs/dbraw/zinc/83/24/60/383832460.db2.gz FABXYMHKUIZRMG-VIFPVBQESA-N 0 0 249.301 3.693 20 0 BHADRN CCc1ccccc1NC(=O)N[C@@H]1CCC1(C)C ZINC000558221828 398089460 /nfs/dbraw/zinc/08/94/60/398089460.db2.gz JWNGNGNHLQECRR-CYBMUJFWSA-N 0 0 246.354 3.559 20 0 BHADRN CCc1ccccc1NC(=O)N[C@H]1CCC1(C)C ZINC000558221830 398089148 /nfs/dbraw/zinc/08/91/48/398089148.db2.gz JWNGNGNHLQECRR-ZDUSSCGKSA-N 0 0 246.354 3.559 20 0 BHADRN CCc1cccc(NC(=O)N[C@@H]2CCC2(C)C)c1 ZINC000558227530 383855950 /nfs/dbraw/zinc/85/59/50/383855950.db2.gz MLVWPGSRCIQGRG-CYBMUJFWSA-N 0 0 246.354 3.559 20 0 BHADRN CCc1cccc(NC(=O)N[C@H]2CCC2(C)C)c1 ZINC000558227531 383855882 /nfs/dbraw/zinc/85/58/82/383855882.db2.gz MLVWPGSRCIQGRG-ZDUSSCGKSA-N 0 0 246.354 3.559 20 0 BHADRN CC(C)c1ccc(NC(=O)N[C@@H]2CC[C@H]2C)cc1 ZINC000558235854 383862204 /nfs/dbraw/zinc/86/22/04/383862204.db2.gz IRYHIJHSPNLYHK-BXUZGUMPSA-N 0 0 246.354 3.730 20 0 BHADRN CC(C)c1ccc(NC(=O)N[C@H]2CC[C@@H]2C)cc1 ZINC000558235855 322947648 /nfs/dbraw/zinc/94/76/48/322947648.db2.gz IRYHIJHSPNLYHK-FZMZJTMJSA-N 0 0 246.354 3.730 20 0 BHADRN CC(C)c1ccc(NC(=O)N[C@H]2CC[C@H]2C)cc1 ZINC000558235856 322947671 /nfs/dbraw/zinc/94/76/71/322947671.db2.gz IRYHIJHSPNLYHK-RISCZKNCSA-N 0 0 246.354 3.730 20 0 BHADRN CC(C)c1ccc(NC(=O)N[C@@H]2CC[C@@H]2C)cc1 ZINC000558235857 322947633 /nfs/dbraw/zinc/94/76/33/322947633.db2.gz IRYHIJHSPNLYHK-SMDDNHRTSA-N 0 0 246.354 3.730 20 0 BHADRN CCOCc1cccc(N[C@@H]2CC[C@@H]2CC)c1 ZINC000558249387 322947976 /nfs/dbraw/zinc/94/79/76/322947976.db2.gz DCUZVQGVYLWLRH-DZGCQCFKSA-N 0 0 233.355 3.824 20 0 BHADRN CCOCc1cccc(N[C@H]2CC[C@H]2CC)c1 ZINC000558249388 383876711 /nfs/dbraw/zinc/87/67/11/383876711.db2.gz DCUZVQGVYLWLRH-HIFRSBDPSA-N 0 0 233.355 3.824 20 0 BHADRN CCOCc1cccc(N[C@@H]2CC[C@H]2CC)c1 ZINC000558249390 322947987 /nfs/dbraw/zinc/94/79/87/322947987.db2.gz DCUZVQGVYLWLRH-UKRRQHHQSA-N 0 0 233.355 3.824 20 0 BHADRN CCOCc1cccc(N[C@H]2CC[C@@H]2CC)c1 ZINC000558249393 383877813 /nfs/dbraw/zinc/87/78/13/383877813.db2.gz DCUZVQGVYLWLRH-ZFWWWQNUSA-N 0 0 233.355 3.824 20 0 BHADRN c1ccc2c(c1)cncc2N[C@H]1CC[C@@H]1C1CC1 ZINC000558251405 322947966 /nfs/dbraw/zinc/94/79/66/322947966.db2.gz UMHGVNWGPVXMNH-CABCVRRESA-N 0 0 238.334 3.835 20 0 BHADRN c1ccc2c(c1)cncc2N[C@H]1CC[C@H]1C1CC1 ZINC000558251406 383874997 /nfs/dbraw/zinc/87/49/97/383874997.db2.gz UMHGVNWGPVXMNH-GJZGRUSLSA-N 0 0 238.334 3.835 20 0 BHADRN c1ccc2c(c1)cncc2N[C@@H]1CC[C@@H]1C1CC1 ZINC000558251407 383874544 /nfs/dbraw/zinc/87/45/44/383874544.db2.gz UMHGVNWGPVXMNH-HUUCEWRRSA-N 0 0 238.334 3.835 20 0 BHADRN c1ccc2c(c1)cncc2N[C@@H]1CC[C@H]1C1CC1 ZINC000558251408 383873647 /nfs/dbraw/zinc/87/36/47/383873647.db2.gz UMHGVNWGPVXMNH-LSDHHAIUSA-N 0 0 238.334 3.835 20 0 BHADRN CCCC(=O)Nc1cccc(N[C@H](C)C(C)C)c1 ZINC000558252383 322947984 /nfs/dbraw/zinc/94/79/84/322947984.db2.gz LQJAIISISQLGNX-GFCCVEGCSA-N 0 0 248.370 3.882 20 0 BHADRN CCCC(=O)Nc1cccc(N[C@@H](C)C(C)C)c1 ZINC000558252384 383874429 /nfs/dbraw/zinc/87/44/29/383874429.db2.gz LQJAIISISQLGNX-LBPRGKRZSA-N 0 0 248.370 3.882 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cccc(OCCF)c1 ZINC000558252413 322947980 /nfs/dbraw/zinc/94/79/80/322947980.db2.gz MUEZHRNKJUCRDQ-BXUZGUMPSA-N 0 0 237.318 3.635 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1cccc(OCCF)c1 ZINC000558252414 383873549 /nfs/dbraw/zinc/87/35/49/383873549.db2.gz MUEZHRNKJUCRDQ-FZMZJTMJSA-N 0 0 237.318 3.635 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cccc(OCCF)c1 ZINC000558252451 383873442 /nfs/dbraw/zinc/87/34/42/383873442.db2.gz MUEZHRNKJUCRDQ-RISCZKNCSA-N 0 0 237.318 3.635 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1cccc(OCCF)c1 ZINC000558252452 383873454 /nfs/dbraw/zinc/87/34/54/383873454.db2.gz MUEZHRNKJUCRDQ-SMDDNHRTSA-N 0 0 237.318 3.635 20 0 BHADRN c1cnc2ccc(N[C@@H]3CC[C@@H]3C3CC3)cc2c1 ZINC000558253517 322948181 /nfs/dbraw/zinc/94/81/81/322948181.db2.gz CSYOMHQIRGSZJU-GDBMZVCRSA-N 0 0 238.334 3.835 20 0 BHADRN c1cnc2ccc(N[C@@H]3CC[C@H]3C3CC3)cc2c1 ZINC000558253519 322948185 /nfs/dbraw/zinc/94/81/85/322948185.db2.gz CSYOMHQIRGSZJU-GOEBONIOSA-N 0 0 238.334 3.835 20 0 BHADRN c1cnc2ccc(N[C@H]3CC[C@H]3C3CC3)cc2c1 ZINC000558253521 383881617 /nfs/dbraw/zinc/88/16/17/383881617.db2.gz CSYOMHQIRGSZJU-HOCLYGCPSA-N 0 0 238.334 3.835 20 0 BHADRN c1cnc2ccc(N[C@H]3CC[C@@H]3C3CC3)cc2c1 ZINC000558253523 322948175 /nfs/dbraw/zinc/94/81/75/322948175.db2.gz CSYOMHQIRGSZJU-ZBFHGGJFSA-N 0 0 238.334 3.835 20 0 BHADRN c1cc2c(c(N[C@H]3CC[C@H]3C3CC3)c1)OCCC2 ZINC000558253675 322948096 /nfs/dbraw/zinc/94/80/96/322948096.db2.gz HPUOTYXOQXLWBH-KBPBESRZSA-N 0 0 243.350 3.612 20 0 BHADRN c1cc2c(c(N[C@H]3CC[C@@H]3C3CC3)c1)OCCC2 ZINC000558253676 383881324 /nfs/dbraw/zinc/88/13/24/383881324.db2.gz HPUOTYXOQXLWBH-KGLIPLIRSA-N 0 0 243.350 3.612 20 0 BHADRN c1cc2c(c(N[C@@H]3CC[C@H]3C3CC3)c1)OCCC2 ZINC000558253677 322948137 /nfs/dbraw/zinc/94/81/37/322948137.db2.gz HPUOTYXOQXLWBH-UONOGXRCSA-N 0 0 243.350 3.612 20 0 BHADRN c1cc2c(c(N[C@@H]3CC[C@@H]3C3CC3)c1)OCCC2 ZINC000558253678 383880371 /nfs/dbraw/zinc/88/03/71/383880371.db2.gz HPUOTYXOQXLWBH-ZIAGYGMSSA-N 0 0 243.350 3.612 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccc2nc(C)oc2c1 ZINC000558254429 383882738 /nfs/dbraw/zinc/88/27/38/383882738.db2.gz LQGXXDCTWVLAHB-CMPLNLGQSA-N 0 0 230.311 3.737 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccc2nc(C)oc2c1 ZINC000558254436 322948093 /nfs/dbraw/zinc/94/80/93/322948093.db2.gz LQGXXDCTWVLAHB-JQWIXIFHSA-N 0 0 230.311 3.737 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc2nc(C)oc2c1 ZINC000558254440 322948075 /nfs/dbraw/zinc/94/80/75/322948075.db2.gz LQGXXDCTWVLAHB-PWSUYJOCSA-N 0 0 230.311 3.737 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc2nc(C)oc2c1 ZINC000558254444 383883900 /nfs/dbraw/zinc/88/39/00/383883900.db2.gz LQGXXDCTWVLAHB-ZYHUDNBSSA-N 0 0 230.311 3.737 20 0 BHADRN CC[C@H]1CC[C@@H]1NCC(F)(F)c1ccccc1 ZINC000558254572 383883740 /nfs/dbraw/zinc/88/37/40/383883740.db2.gz JIOFOARNOAZCAL-AAEUAGOBSA-N 0 0 239.309 3.557 20 0 BHADRN CC[C@@H]1CC[C@H]1NCC(F)(F)c1ccccc1 ZINC000558254573 322948104 /nfs/dbraw/zinc/94/81/04/322948104.db2.gz JIOFOARNOAZCAL-DGCLKSJQSA-N 0 0 239.309 3.557 20 0 BHADRN CC[C@H]1CC[C@H]1NCC(F)(F)c1ccccc1 ZINC000558254574 383884199 /nfs/dbraw/zinc/88/41/99/383884199.db2.gz JIOFOARNOAZCAL-WCQYABFASA-N 0 0 239.309 3.557 20 0 BHADRN CC[C@@H]1CC[C@@H]1NCC(F)(F)c1ccccc1 ZINC000558254575 383884053 /nfs/dbraw/zinc/88/40/53/383884053.db2.gz JIOFOARNOAZCAL-YPMHNXCESA-N 0 0 239.309 3.557 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1cccc2cccnc21 ZINC000558256998 383885973 /nfs/dbraw/zinc/88/59/73/383885973.db2.gz JYCKFHJUQYESPF-AAEUAGOBSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cccc2cccnc21 ZINC000558257012 383886030 /nfs/dbraw/zinc/88/60/30/383886030.db2.gz JYCKFHJUQYESPF-DGCLKSJQSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1cccc2cccnc21 ZINC000558257014 383886265 /nfs/dbraw/zinc/88/62/65/383886265.db2.gz JYCKFHJUQYESPF-WCQYABFASA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cccc2cccnc21 ZINC000558257015 383886401 /nfs/dbraw/zinc/88/64/01/383886401.db2.gz JYCKFHJUQYESPF-YPMHNXCESA-N 0 0 226.323 3.835 20 0 BHADRN CC(C)(C)C(C)(C)CNC(=O)C1CCCCC1 ZINC000558257221 383886332 /nfs/dbraw/zinc/88/63/32/383886332.db2.gz ALSRGABLDQLNPV-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN C/C=C\c1ccc(N[C@H](C)C2CCOCC2)cc1 ZINC000558257420 383886715 /nfs/dbraw/zinc/88/67/15/383886715.db2.gz LZOYNJXZGUGLNV-DHCBQETCSA-N 0 0 245.366 3.947 20 0 BHADRN C/C=C/c1ccc(N[C@H](C)C2CCOCC2)cc1 ZINC000558257421 322948282 /nfs/dbraw/zinc/94/82/82/322948282.db2.gz LZOYNJXZGUGLNV-ITDFMYJTSA-N 0 0 245.366 3.947 20 0 BHADRN C/C=C/c1ccc(N[C@@H](C)C2CCOCC2)cc1 ZINC000558257422 322948270 /nfs/dbraw/zinc/94/82/70/322948270.db2.gz LZOYNJXZGUGLNV-OOPCZODUSA-N 0 0 245.366 3.947 20 0 BHADRN C/C=C\c1ccc(N[C@@H](C)C2CCOCC2)cc1 ZINC000558257423 322948253 /nfs/dbraw/zinc/94/82/53/322948253.db2.gz LZOYNJXZGUGLNV-SCOBNMCVSA-N 0 0 245.366 3.947 20 0 BHADRN c1nc2ccc(N[C@H]3CC[C@@H]3C3CC3)cc2s1 ZINC000558259454 322948094 /nfs/dbraw/zinc/94/80/94/322948094.db2.gz RXVMEKRDCXKKBT-NEPJUHHUSA-N 0 0 244.363 3.897 20 0 BHADRN c1nc2ccc(N[C@@H]3CC[C@H]3C3CC3)cc2s1 ZINC000558259462 383882799 /nfs/dbraw/zinc/88/27/99/383882799.db2.gz RXVMEKRDCXKKBT-NWDGAFQWSA-N 0 0 244.363 3.897 20 0 BHADRN c1nc2ccc(N[C@H]3CC[C@H]3C3CC3)cc2s1 ZINC000558259466 383882523 /nfs/dbraw/zinc/88/25/23/383882523.db2.gz RXVMEKRDCXKKBT-RYUDHWBXSA-N 0 0 244.363 3.897 20 0 BHADRN c1nc2ccc(N[C@@H]3CC[C@@H]3C3CC3)cc2s1 ZINC000558259470 322948190 /nfs/dbraw/zinc/94/81/90/322948190.db2.gz RXVMEKRDCXKKBT-VXGBXAGGSA-N 0 0 244.363 3.897 20 0 BHADRN CCCc1ccccc1NCCOC1CCC1 ZINC000558263848 383888696 /nfs/dbraw/zinc/88/86/96/383888696.db2.gz JYFCHOLZLSTRGM-UHFFFAOYSA-N 0 0 233.355 3.620 20 0 BHADRN CC(C)(C)C(C)(C)CNC(=O)CCC1CCC1 ZINC000558264233 383889711 /nfs/dbraw/zinc/88/97/11/383889711.db2.gz NLCPBUHTGCKEOG-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC1(Cc2nc(-c3ccsc3)no2)CCCC1 ZINC000558264523 383889740 /nfs/dbraw/zinc/88/97/40/383889740.db2.gz YWXPQTBSAOPPHB-UHFFFAOYSA-N 0 0 248.351 3.921 20 0 BHADRN CCC[C@@H](C)C(=O)NCC(C)(C)C(C)(C)C ZINC000558264976 383894981 /nfs/dbraw/zinc/89/49/81/383894981.db2.gz PGSYUSFVKFZDCT-LLVKDONJSA-N 0 0 227.392 3.611 20 0 BHADRN CCC[C@H](C)C(=O)NCC(C)(C)C(C)(C)C ZINC000558264982 383897081 /nfs/dbraw/zinc/89/70/81/383897081.db2.gz PGSYUSFVKFZDCT-NSHDSACASA-N 0 0 227.392 3.611 20 0 BHADRN CC1=C(C(=O)NCC(C)(C)C(C)(C)C)CCC1 ZINC000558265189 383895872 /nfs/dbraw/zinc/89/58/72/383895872.db2.gz LKCZZWJPQIAKAF-UHFFFAOYSA-N 0 0 237.387 3.675 20 0 BHADRN C/C=C/c1ccc(NCCC(C)(C)OC)cc1 ZINC000558269038 383893188 /nfs/dbraw/zinc/89/31/88/383893188.db2.gz XRLRPGGLNDQRKT-AATRIKPKSA-N 0 0 233.355 3.947 20 0 BHADRN C/C=C\c1ccc(NCCC(C)(C)OC)cc1 ZINC000558269039 383893843 /nfs/dbraw/zinc/89/38/43/383893843.db2.gz XRLRPGGLNDQRKT-WAYWQWQTSA-N 0 0 233.355 3.947 20 0 BHADRN CCC(=O)Nc1ccc(N[C@@H]2CC[C@H]2CC)cc1 ZINC000558269350 383892086 /nfs/dbraw/zinc/89/20/86/383892086.db2.gz PRDWVUVKTDRUPJ-BXUZGUMPSA-N 0 0 246.354 3.636 20 0 BHADRN CCC(=O)Nc1ccc(N[C@H]2CC[C@@H]2CC)cc1 ZINC000558269351 322948322 /nfs/dbraw/zinc/94/83/22/322948322.db2.gz PRDWVUVKTDRUPJ-FZMZJTMJSA-N 0 0 246.354 3.636 20 0 BHADRN CCC(=O)Nc1ccc(N[C@H]2CC[C@H]2CC)cc1 ZINC000558269354 383893717 /nfs/dbraw/zinc/89/37/17/383893717.db2.gz PRDWVUVKTDRUPJ-RISCZKNCSA-N 0 0 246.354 3.636 20 0 BHADRN CCC(=O)Nc1ccc(N[C@@H]2CC[C@@H]2CC)cc1 ZINC000558269357 322948407 /nfs/dbraw/zinc/94/84/07/322948407.db2.gz PRDWVUVKTDRUPJ-SMDDNHRTSA-N 0 0 246.354 3.636 20 0 BHADRN CCOc1ccccc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000558271418 383897087 /nfs/dbraw/zinc/89/70/87/383897087.db2.gz HWMUAOKINNXFEQ-CHWSQXEVSA-N 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CCc1ccc(CN(CC)c2ccccc2)nc1 ZINC000559129279 384586205 /nfs/dbraw/zinc/58/62/05/384586205.db2.gz GAQGHFXMOHXDIJ-UHFFFAOYSA-N 0 0 240.350 3.671 20 0 BHADRN CC(C)(CC(=O)NC1(C)CCCCC1)C1CC1 ZINC000559150090 322959099 /nfs/dbraw/zinc/95/90/99/322959099.db2.gz REANNRXYPOBJKC-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1cccc2c1N(Cc1ccccc1F)CC2 ZINC000559151922 384607645 /nfs/dbraw/zinc/60/76/45/384607645.db2.gz VYIIQBXLGZRTCH-UHFFFAOYSA-N 0 0 241.309 3.697 20 0 BHADRN CC(C)c1ccc(CSCn2cccn2)cc1 ZINC000559194678 322959635 /nfs/dbraw/zinc/95/96/35/322959635.db2.gz PUVMNAOCQBGVGV-UHFFFAOYSA-N 0 0 246.379 3.897 20 0 BHADRN C[C@H]1CN(Cc2ccccc2F)c2ccccc21 ZINC000559204077 384641275 /nfs/dbraw/zinc/64/12/75/384641275.db2.gz CNHUCOYEFIXALM-LBPRGKRZSA-N 0 0 241.309 3.949 20 0 BHADRN CC1(C)CN(C(=O)C2(C)CCCCC2)[C@@H]1C1CC1 ZINC000559205183 322959654 /nfs/dbraw/zinc/95/96/54/322959654.db2.gz SIQSODGKBDSUPY-CYBMUJFWSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CN(C(=O)C2(C)CCCCC2)[C@H]1C1CC1 ZINC000559205185 322959604 /nfs/dbraw/zinc/95/96/04/322959604.db2.gz SIQSODGKBDSUPY-ZDUSSCGKSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)=CCN1C[C@@H](C)c2ccccc21 ZINC000559207284 322959684 /nfs/dbraw/zinc/95/96/84/322959684.db2.gz QHTSOHKGUDGTMB-GFCCVEGCSA-N 0 0 201.313 3.576 20 0 BHADRN COc1ccc(F)c(CNc2ccc(F)cc2)c1 ZINC000559245325 322960710 /nfs/dbraw/zinc/96/07/10/322960710.db2.gz YHQDCUHPQLPPCN-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN CCc1ccc(CC)c(NCc2conc2C)c1 ZINC000559282879 322961763 /nfs/dbraw/zinc/96/17/63/322961763.db2.gz CYESQEDWQVLPSZ-UHFFFAOYSA-N 0 0 244.338 3.720 20 0 BHADRN CCc1ccc(NCc2conc2C)cc1CC ZINC000559294627 384987829 /nfs/dbraw/zinc/98/78/29/384987829.db2.gz SOTUZAZMSFJSGU-UHFFFAOYSA-N 0 0 244.338 3.720 20 0 BHADRN O=C(NC1CCCCCC1)C1=CCCCCC1 ZINC000559300999 322962322 /nfs/dbraw/zinc/96/23/22/322962322.db2.gz DNJNOVBSKRKFLD-UHFFFAOYSA-N 0 0 235.371 3.716 20 0 BHADRN C[C@@H](N(C)C(=O)CC1CC(C)(C)C1)C(C)(C)C ZINC000559374643 384239903 /nfs/dbraw/zinc/23/99/03/384239903.db2.gz 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GFEPEWNIBGQUMI-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](NC(=O)C(C)(C)C(C)(C)C)c1ccccc1 ZINC000559627341 385095093 /nfs/dbraw/zinc/09/50/93/385095093.db2.gz PDERPMRMHVLGRM-GFCCVEGCSA-N 0 0 247.382 3.936 20 0 BHADRN Cc1cccc(Sc2nc(C)cc(C)n2)c1 ZINC000559637278 385091108 /nfs/dbraw/zinc/09/11/08/385091108.db2.gz AHELSGPTSFFLJJ-UHFFFAOYSA-N 0 0 230.336 3.553 20 0 BHADRN CSc1ccc(Oc2nc(C)cc(C)n2)cc1 ZINC000559638332 322978545 /nfs/dbraw/zinc/97/85/45/322978545.db2.gz OCJPLAOGHQBQMW-UHFFFAOYSA-N 0 0 246.335 3.608 20 0 BHADRN CCCN(C(=O)Nc1ccc(C)s1)C(C)C ZINC000559648128 385107829 /nfs/dbraw/zinc/10/78/29/385107829.db2.gz NRJQJHWLMVTIHT-UHFFFAOYSA-N 0 0 240.372 3.709 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)C(C)(C)C(C)(C)C)CC1 ZINC000559652973 322979117 /nfs/dbraw/zinc/97/91/17/322979117.db2.gz VVZUECAKOQPPDT-HAQNSBGRSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc(C)c(OCC)c1 ZINC000559675649 322979106 /nfs/dbraw/zinc/97/91/06/322979106.db2.gz QDGUIYGYUWRKAG-GFCCVEGCSA-N 0 0 249.354 3.768 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc(C)c(OCC)c1 ZINC000559675650 322979105 /nfs/dbraw/zinc/97/91/05/322979105.db2.gz QDGUIYGYUWRKAG-LBPRGKRZSA-N 0 0 249.354 3.768 20 0 BHADRN CC1(C)CC(CC(=O)NCC2(C)CCCC2)C1 ZINC000559676512 322979183 /nfs/dbraw/zinc/97/91/83/322979183.db2.gz MRPOPPCPXQZOFF-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCOc1cc(NC(=O)CCC(C)C)ccc1C ZINC000559677032 322979238 /nfs/dbraw/zinc/97/92/38/322979238.db2.gz QVMVOXUKSCFUNG-UHFFFAOYSA-N 0 0 249.354 3.768 20 0 BHADRN CCC1CCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000559722642 385144415 /nfs/dbraw/zinc/14/44/15/385144415.db2.gz WGSAYRRHGBESCU-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(C)(CC)NC(=O)CC(C)(C)C1CC1 ZINC000559799543 344531724 /nfs/dbraw/zinc/53/17/24/344531724.db2.gz VEWCPDQHWPNBNY-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@]2(C)CCCO2)cc1F ZINC000559811593 344532462 /nfs/dbraw/zinc/53/24/62/344532462.db2.gz CVBGMRCLHVPCFU-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@]2(C)CCCO2)cc1F ZINC000559811594 344532281 /nfs/dbraw/zinc/53/22/81/344532281.db2.gz CVBGMRCLHVPCFU-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(N[C@H](C)[C@]2(C)CCCO2)cc1F ZINC000559811595 344532227 /nfs/dbraw/zinc/53/22/27/344532227.db2.gz CVBGMRCLHVPCFU-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@]2(C)CCCO2)cc1F ZINC000559811596 344532417 /nfs/dbraw/zinc/53/24/17/344532417.db2.gz CVBGMRCLHVPCFU-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN c1ccc2c(c1)SCCCN2CC1CCC1 ZINC000559823418 322979927 /nfs/dbraw/zinc/97/99/27/322979927.db2.gz JVQGBMCPEBIJRQ-UHFFFAOYSA-N 0 0 233.380 3.789 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)[C@@]2(C)CCCO2)c1 ZINC000559824244 385190567 /nfs/dbraw/zinc/19/05/67/385190567.db2.gz KZBHLSDOGZGXTB-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)[C@]2(C)CCCO2)c1 ZINC000559824245 322980118 /nfs/dbraw/zinc/98/01/18/322980118.db2.gz KZBHLSDOGZGXTB-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)[C@]2(C)CCCO2)c1 ZINC000559824246 322980097 /nfs/dbraw/zinc/98/00/97/322980097.db2.gz KZBHLSDOGZGXTB-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)[C@@]2(C)CCCO2)c1 ZINC000559824247 385190699 /nfs/dbraw/zinc/19/06/99/385190699.db2.gz KZBHLSDOGZGXTB-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN C[C@@H]1CCCCCN1C(=O)CC(C)(C)C1CC1 ZINC000559843556 322980311 /nfs/dbraw/zinc/98/03/11/322980311.db2.gz GDJHHLTWWZUHCL-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCCCN1C(=O)CC(C)(C)C1CC1 ZINC000559843561 322980360 /nfs/dbraw/zinc/98/03/60/322980360.db2.gz GDJHHLTWWZUHCL-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN COc1cc(N[C@H]2CCC2(C)C)cc(OC)c1C ZINC000559870142 385205262 /nfs/dbraw/zinc/20/52/62/385205262.db2.gz BWDSNCRJQLMLEU-AWEZNQCLSA-N 0 0 249.354 3.613 20 0 BHADRN COc1cc(N[C@@H]2CCC2(C)C)cc(OC)c1C ZINC000559870143 385205834 /nfs/dbraw/zinc/20/58/34/385205834.db2.gz BWDSNCRJQLMLEU-CQSZACIVSA-N 0 0 249.354 3.613 20 0 BHADRN COc1cc(N[C@H]2CCC[C@@H]2C)cc(OC)c1C ZINC000559870769 385205451 /nfs/dbraw/zinc/20/54/51/385205451.db2.gz HMWDAESGAFJMBC-GWCFXTLKSA-N 0 0 249.354 3.613 20 0 BHADRN COc1cc(N[C@@H]2CCC[C@@H]2C)cc(OC)c1C ZINC000559870770 385205205 /nfs/dbraw/zinc/20/52/05/385205205.db2.gz HMWDAESGAFJMBC-GXFFZTMASA-N 0 0 249.354 3.613 20 0 BHADRN COc1cc(N[C@H]2CCC[C@H]2C)cc(OC)c1C ZINC000559870771 322980511 /nfs/dbraw/zinc/98/05/11/322980511.db2.gz HMWDAESGAFJMBC-MFKMUULPSA-N 0 0 249.354 3.613 20 0 BHADRN COc1cc(N[C@@H]2CCC[C@H]2C)cc(OC)c1C ZINC000559870772 385205479 /nfs/dbraw/zinc/20/54/79/385205479.db2.gz HMWDAESGAFJMBC-ZWNOBZJWSA-N 0 0 249.354 3.613 20 0 BHADRN CCC(CC)Nc1cc(OC)c(C)c(OC)c1 ZINC000559872378 385201962 /nfs/dbraw/zinc/20/19/62/385201962.db2.gz SQCAYCOYQBNAEM-UHFFFAOYSA-N 0 0 237.343 3.613 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1cc(OC)c(C)c(OC)c1 ZINC000559872768 322980483 /nfs/dbraw/zinc/98/04/83/322980483.db2.gz WQPRBEAPXQDKOT-AAEUAGOBSA-N 0 0 249.354 3.613 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cc(OC)c(C)c(OC)c1 ZINC000559872769 322980476 /nfs/dbraw/zinc/98/04/76/322980476.db2.gz WQPRBEAPXQDKOT-DGCLKSJQSA-N 0 0 249.354 3.613 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1cc(OC)c(C)c(OC)c1 ZINC000559872771 385202244 /nfs/dbraw/zinc/20/22/44/385202244.db2.gz WQPRBEAPXQDKOT-WCQYABFASA-N 0 0 249.354 3.613 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cc(OC)c(C)c(OC)c1 ZINC000559872773 385202831 /nfs/dbraw/zinc/20/28/31/385202831.db2.gz WQPRBEAPXQDKOT-YPMHNXCESA-N 0 0 249.354 3.613 20 0 BHADRN CC(F)(F)CN[C@H](CC1CC1)c1ccccc1 ZINC000559878119 385211824 /nfs/dbraw/zinc/21/18/24/385211824.db2.gz JZCYMNAYXWFQHU-CYBMUJFWSA-N 0 0 239.309 3.773 20 0 BHADRN CC(F)(F)CN[C@@H](CC1CC1)c1ccccc1 ZINC000559878145 385210855 /nfs/dbraw/zinc/21/08/55/385210855.db2.gz JZCYMNAYXWFQHU-ZDUSSCGKSA-N 0 0 239.309 3.773 20 0 BHADRN Cc1ccc(-c2noc(-c3cccc(C)c3)n2)o1 ZINC000559881836 322980618 /nfs/dbraw/zinc/98/06/18/322980618.db2.gz IDCBZRYITKMWDW-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN CCC[C@@H](C)Cc1nc(-c2ccc(C)o2)no1 ZINC000559888377 322980740 /nfs/dbraw/zinc/98/07/40/322980740.db2.gz PHOBSBGGOTVALX-SECBINFHSA-N 0 0 234.299 3.617 20 0 BHADRN CCC[C@H](C)Cc1nc(-c2ccc(C)o2)no1 ZINC000559888378 385214112 /nfs/dbraw/zinc/21/41/12/385214112.db2.gz PHOBSBGGOTVALX-VIFPVBQESA-N 0 0 234.299 3.617 20 0 BHADRN Cc1ccc(F)c(-c2noc(C3CC(C)C3)n2)c1 ZINC000559888381 322980751 /nfs/dbraw/zinc/98/07/51/322980751.db2.gz RCNHUBDFWKYGBT-UHFFFAOYSA-N 0 0 246.285 3.698 20 0 BHADRN CCc1cccc(N[C@H](C)c2cn[nH]c2)c1CC ZINC000559904064 344546541 /nfs/dbraw/zinc/54/65/41/344546541.db2.gz SPPFONQUBAAWNR-LLVKDONJSA-N 0 0 243.354 3.708 20 0 BHADRN CCc1cccc(N[C@@H](C)c2cn[nH]c2)c1CC ZINC000559904066 344546486 /nfs/dbraw/zinc/54/64/86/344546486.db2.gz SPPFONQUBAAWNR-NSHDSACASA-N 0 0 243.354 3.708 20 0 BHADRN COc1cc(N[C@@H]2CC=C(C)CC2)ccc1F ZINC000559906384 322980965 /nfs/dbraw/zinc/98/09/65/322980965.db2.gz YVKMLLSELGNIAM-LLVKDONJSA-N 0 0 235.302 3.745 20 0 BHADRN COc1cc(N[C@H]2CC=C(C)CC2)ccc1F ZINC000559906385 385225187 /nfs/dbraw/zinc/22/51/87/385225187.db2.gz YVKMLLSELGNIAM-NSHDSACASA-N 0 0 235.302 3.745 20 0 BHADRN CCC1(c2noc(C3(C)CCC3)n2)CCCC1 ZINC000559906606 385223881 /nfs/dbraw/zinc/22/38/81/385223881.db2.gz UHVKINHJRKXWID-UHFFFAOYSA-N 0 0 234.343 3.733 20 0 BHADRN CCc1ccc(N[C@H](C)[C@]2(C)CCCO2)cc1 ZINC000559911482 385229093 /nfs/dbraw/zinc/22/90/93/385229093.db2.gz MFXMBMZGOXXRDC-DOMZBBRYSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@H](C)[C@@]2(C)CCCO2)cc1 ZINC000559911483 322981299 /nfs/dbraw/zinc/98/12/99/322981299.db2.gz MFXMBMZGOXXRDC-IUODEOHRSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@@]2(C)CCCO2)cc1 ZINC000559911484 322981208 /nfs/dbraw/zinc/98/12/08/322981208.db2.gz MFXMBMZGOXXRDC-SWLSCSKDSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@]2(C)CCCO2)cc1 ZINC000559911485 385228226 /nfs/dbraw/zinc/22/82/26/385228226.db2.gz MFXMBMZGOXXRDC-WFASDCNBSA-N 0 0 233.355 3.619 20 0 BHADRN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccc(F)c1F ZINC000559918058 322981062 /nfs/dbraw/zinc/98/10/62/322981062.db2.gz QLVDTFVWMHRJJK-UBHAPETDSA-N 0 0 243.272 3.506 20 0 BHADRN CCc1ccc(N[C@H](C)c2ccncc2F)cc1 ZINC000559920136 385229284 /nfs/dbraw/zinc/22/92/84/385229284.db2.gz XZQOKIIYHUATOW-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ccncc2F)cc1 ZINC000559920137 385228545 /nfs/dbraw/zinc/22/85/45/385228545.db2.gz XZQOKIIYHUATOW-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccc(N[C@H](C)c2cn[nH]c2)cc1CC ZINC000559920997 322981223 /nfs/dbraw/zinc/98/12/23/322981223.db2.gz MSVHYNNYFVHTJV-LLVKDONJSA-N 0 0 243.354 3.708 20 0 BHADRN CCc1ccc(N[C@@H](C)c2cn[nH]c2)cc1CC ZINC000559920998 322981300 /nfs/dbraw/zinc/98/13/00/322981300.db2.gz MSVHYNNYFVHTJV-NSHDSACASA-N 0 0 243.354 3.708 20 0 BHADRN CSC1(CN(C)c2cccc(C)c2)CCC1 ZINC000559929333 385232972 /nfs/dbraw/zinc/23/29/72/385232972.db2.gz VMVXBYLSZHEPAD-UHFFFAOYSA-N 0 0 235.396 3.717 20 0 BHADRN CC(C)CCc1noc(CC(C)(C)C2CC2)n1 ZINC000559934013 385239552 /nfs/dbraw/zinc/23/95/52/385239552.db2.gz DTMHRFPZSDXHCY-UHFFFAOYSA-N 0 0 236.359 3.637 20 0 BHADRN CCCc1noc(/C=C/c2ccc(F)c(C)c2)n1 ZINC000559935147 385239184 /nfs/dbraw/zinc/23/91/84/385239184.db2.gz WAPDPIJDJAQFEN-SOFGYWHQSA-N 0 0 246.285 3.640 20 0 BHADRN CCCc1noc(/C=C\c2ccc(F)c(C)c2)n1 ZINC000559935148 322981412 /nfs/dbraw/zinc/98/14/12/322981412.db2.gz WAPDPIJDJAQFEN-VURMDHGXSA-N 0 0 246.285 3.640 20 0 BHADRN CC(C)CCc1noc(C(F)=C2CCCC2)n1 ZINC000559935228 322981413 /nfs/dbraw/zinc/98/14/13/322981413.db2.gz VGGUFJARIGRNSY-UHFFFAOYSA-N 0 0 238.306 3.913 20 0 BHADRN CC[C@@H](C)[C@@H](C)NC(=O)C(C)(C)C(C)(C)C ZINC000559936885 322981421 /nfs/dbraw/zinc/98/14/21/322981421.db2.gz PWLXIQTYPRNKEY-GHMZBOCLSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@@H](C)[C@H](C)NC(=O)C(C)(C)C(C)(C)C ZINC000559936886 385242371 /nfs/dbraw/zinc/24/23/71/385242371.db2.gz PWLXIQTYPRNKEY-MNOVXSKESA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)C(C)(C)C(C)(C)C ZINC000559936887 385242491 /nfs/dbraw/zinc/24/24/91/385242491.db2.gz PWLXIQTYPRNKEY-QWRGUYRKSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)C(C)(C)C(C)(C)C ZINC000559936888 385242928 /nfs/dbraw/zinc/24/29/28/385242928.db2.gz PWLXIQTYPRNKEY-WDEREUQCSA-N 0 0 227.392 3.610 20 0 BHADRN C[C@@H]1CCC[C@@H](c2noc([C@H]3C[C@@H]3C3CC3)n2)C1 ZINC000559944667 385252826 /nfs/dbraw/zinc/25/28/26/385252826.db2.gz KFACJFKDJUDLRY-JHEVNIALSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@H]1CCC[C@@H](c2noc([C@H]3C[C@@H]3C3CC3)n2)C1 ZINC000559944674 322981453 /nfs/dbraw/zinc/98/14/53/322981453.db2.gz KFACJFKDJUDLRY-SQNXGDPESA-N 0 0 246.354 3.877 20 0 BHADRN C[C@H]1CCC[C@H](c2noc([C@H]3C[C@@H]3C3CC3)n2)C1 ZINC000559944813 322981510 /nfs/dbraw/zinc/98/15/10/322981510.db2.gz KFACJFKDJUDLRY-SYEHKZFSSA-N 0 0 246.354 3.877 20 0 BHADRN CCOc1cc(C)ccc1NCCCCCF ZINC000559947075 385251946 /nfs/dbraw/zinc/25/19/46/385251946.db2.gz WGEPFWXGHFQNAK-UHFFFAOYSA-N 0 0 239.334 3.945 20 0 BHADRN FCCCCCOc1ccc2c(c1)CCC2 ZINC000559948541 322981466 /nfs/dbraw/zinc/98/14/66/322981466.db2.gz PZRGOKDKTBDRBC-UHFFFAOYSA-N 0 0 222.303 3.694 20 0 BHADRN FCCCCCOc1ccc(F)c(Cl)c1 ZINC000559949217 385257168 /nfs/dbraw/zinc/25/71/68/385257168.db2.gz FYDMFQJWMCMTFF-UHFFFAOYSA-N 0 0 234.673 3.998 20 0 BHADRN CC(C)Oc1ccc(OCCCCCF)cc1 ZINC000559949816 322981431 /nfs/dbraw/zinc/98/14/31/322981431.db2.gz NIMKVRLPVRGVGI-UHFFFAOYSA-N 0 0 240.318 3.992 20 0 BHADRN CC(C)(C)CCCNC(=O)CC1CC(C)(C)C1 ZINC000559949939 385255473 /nfs/dbraw/zinc/25/54/73/385255473.db2.gz PSARIKPYLZAJMF-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN FCCCCCSc1ncccc1Cl ZINC000559953084 385259030 /nfs/dbraw/zinc/25/90/30/385259030.db2.gz YHNZFHXVLMFOAD-UHFFFAOYSA-N 0 0 233.739 3.967 20 0 BHADRN CC(C)(C)C(C)(C)c1nc(CCC2CC2)no1 ZINC000559965615 385266822 /nfs/dbraw/zinc/26/68/22/385266822.db2.gz IQVUGBYGVQLFRK-UHFFFAOYSA-N 0 0 236.359 3.736 20 0 BHADRN CC(C)c1noc(-c2occc2C(C)C)n1 ZINC000559970362 385269539 /nfs/dbraw/zinc/26/95/39/385269539.db2.gz IPWXEKINRWVWNO-UHFFFAOYSA-N 0 0 220.272 3.576 20 0 BHADRN CC(C)c1noc(-c2ccc3c(c2)CCC=C3)n1 ZINC000559970421 322981558 /nfs/dbraw/zinc/98/15/58/322981558.db2.gz JXMKOSHGQUQRGP-UHFFFAOYSA-N 0 0 240.306 3.819 20 0 BHADRN C[C@@H]1CC=CC[C@H]1c1nc(-c2ccccc2)no1 ZINC000559971296 322981645 /nfs/dbraw/zinc/98/16/45/322981645.db2.gz YXTJQRCFJWSUOJ-DGCLKSJQSA-N 0 0 240.306 3.806 20 0 BHADRN Cc1cnn(CCSc2ccc(C)cc2C)c1 ZINC000559972242 385271551 /nfs/dbraw/zinc/27/15/51/385271551.db2.gz MWGNLFZGNWLQPD-UHFFFAOYSA-N 0 0 246.379 3.601 20 0 BHADRN CC(C)CC(C)(C)c1nc(-c2ccco2)no1 ZINC000559976419 322981691 /nfs/dbraw/zinc/98/16/91/322981691.db2.gz RWFHAGYQXHZAKW-UHFFFAOYSA-N 0 0 234.299 3.653 20 0 BHADRN FCCOc1ccc(Cl)c(C(F)(F)F)c1 ZINC000559976685 322981729 /nfs/dbraw/zinc/98/17/29/322981729.db2.gz HAMXXIRXMDDPLN-UHFFFAOYSA-N 0 0 242.599 3.707 20 0 BHADRN CC1(c2nc(-c3ccco3)no2)CCCCC1 ZINC000559976738 322981732 /nfs/dbraw/zinc/98/17/32/322981732.db2.gz SIGDZKFNANPJST-UHFFFAOYSA-N 0 0 232.283 3.551 20 0 BHADRN CC[C@@H](Cc1nc(-c2ccco2)no1)C(C)C ZINC000559977230 322981722 /nfs/dbraw/zinc/98/17/22/322981722.db2.gz ZRSFDSMXVPOOLW-JTQLQIEISA-N 0 0 234.299 3.554 20 0 BHADRN CC[C@H](Cc1nc(-c2ccco2)no1)C(C)C ZINC000559977231 385274776 /nfs/dbraw/zinc/27/47/76/385274776.db2.gz ZRSFDSMXVPOOLW-SNVBAGLBSA-N 0 0 234.299 3.554 20 0 BHADRN CC(C)(Cc1nc(-c2ccsc2)no1)C1CC1 ZINC000559978639 322981692 /nfs/dbraw/zinc/98/16/92/322981692.db2.gz CPYJBYUBDMGIAD-UHFFFAOYSA-N 0 0 248.351 3.777 20 0 BHADRN COc1ccccc1SCC=C(C)C ZINC000559980815 385276836 /nfs/dbraw/zinc/27/68/36/385276836.db2.gz YFZLSTCUBFRTPV-UHFFFAOYSA-N 0 0 208.326 3.754 20 0 BHADRN COc1cccc(SCCCCCF)c1 ZINC000559981706 322981678 /nfs/dbraw/zinc/98/16/78/322981678.db2.gz OTHBYGUKUVSATE-UHFFFAOYSA-N 0 0 228.332 3.927 20 0 BHADRN Fc1ccc(SC[C@@H]2CCCO2)cc1Cl ZINC000559982477 322981659 /nfs/dbraw/zinc/98/16/59/322981659.db2.gz FVKAWEUTIHYMNX-QMMMGPOBSA-N 0 0 246.734 3.750 20 0 BHADRN COC(C)(C)CCSc1ccc(F)c(F)c1 ZINC000559982538 385272447 /nfs/dbraw/zinc/27/24/47/385272447.db2.gz UOZQYUZOOZAEHQ-UHFFFAOYSA-N 0 0 246.322 3.872 20 0 BHADRN CCC(=O)c1ccc(OCC=C(C)C)c(F)c1 ZINC000559996673 383830132 /nfs/dbraw/zinc/83/01/32/383830132.db2.gz OKPAIKLRGKZEAW-UHFFFAOYSA-N 0 0 236.286 3.763 20 0 BHADRN CC(C)(C)CCSCC(=O)C(C)(C)C ZINC000559999594 383826600 /nfs/dbraw/zinc/82/66/00/383826600.db2.gz SFRIABMWMPIRGB-UHFFFAOYSA-N 0 0 216.390 3.771 20 0 BHADRN Cc1cc(C)cc(NC(=O)[C@@H]2CC=CC[C@H]2C)c1 ZINC000560001520 383834609 /nfs/dbraw/zinc/83/46/09/383834609.db2.gz FAGGJQPGWIPBHI-UKRRQHHQSA-N 0 0 243.350 3.844 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c(C)c1 ZINC000560001675 383834087 /nfs/dbraw/zinc/83/40/87/383834087.db2.gz JQQIPFFONIBGJA-TZMCWYRMSA-N 0 0 243.350 3.844 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)NCCC1=CCCCC1 ZINC000560002987 322981881 /nfs/dbraw/zinc/98/18/81/322981881.db2.gz MYRDUHVNHZKNHL-UKRRQHHQSA-N 0 0 247.382 3.595 20 0 BHADRN CC/C=C\CCOc1ccnc(C(F)(F)F)c1 ZINC000560003576 322981874 /nfs/dbraw/zinc/98/18/74/322981874.db2.gz BZANESLTJPVUMG-ARJAWSKDSA-N 0 0 245.244 3.836 20 0 BHADRN CC/C=C/CCOc1ccnc(C(F)(F)F)c1 ZINC000560003579 322981924 /nfs/dbraw/zinc/98/19/24/322981924.db2.gz BZANESLTJPVUMG-ONEGZZNKSA-N 0 0 245.244 3.836 20 0 BHADRN Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C)ccc1F ZINC000560012294 383839950 /nfs/dbraw/zinc/83/99/50/383839950.db2.gz BCBFNHANVLTWQJ-ZWNOBZJWSA-N 0 0 247.313 3.675 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@H]1C(C)(C)C ZINC000560017628 322982192 /nfs/dbraw/zinc/98/21/92/322982192.db2.gz BPHKYGKTGLXKCY-MCIONIFRSA-N 0 0 249.398 3.626 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000560017629 322982161 /nfs/dbraw/zinc/98/21/61/322982161.db2.gz BPHKYGKTGLXKCY-MGPQQGTHSA-N 0 0 249.398 3.626 20 0 BHADRN CCCCSCCCC1CCOCC1 ZINC000560025319 383847252 /nfs/dbraw/zinc/84/72/52/383847252.db2.gz LOBWLFCCSOQHCY-UHFFFAOYSA-N 0 0 216.390 3.727 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)CC(C)(C)C1CC1 ZINC000560028302 322982210 /nfs/dbraw/zinc/98/22/10/322982210.db2.gz JYMVKBSBFGICGM-NEPJUHHUSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)CC(C)(C)C1CC1 ZINC000560028303 383845769 /nfs/dbraw/zinc/84/57/69/383845769.db2.gz JYMVKBSBFGICGM-NWDGAFQWSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)CC(C)(C)C1CC1 ZINC000560028304 322982188 /nfs/dbraw/zinc/98/21/88/322982188.db2.gz JYMVKBSBFGICGM-RYUDHWBXSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)CC(C)(C)C1CC1 ZINC000560028306 322982152 /nfs/dbraw/zinc/98/21/52/322982152.db2.gz JYMVKBSBFGICGM-VXGBXAGGSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)NCCCC1CCCC1 ZINC000560029533 383850365 /nfs/dbraw/zinc/85/03/65/383850365.db2.gz TYTMAJUHJLALMU-UKRRQHHQSA-N 0 0 249.398 3.675 20 0 BHADRN CCNc1cnn(-c2ccccc2Cl)c1CC ZINC000560032839 322982148 /nfs/dbraw/zinc/98/21/48/322982148.db2.gz QKBUJKNDXMGUAX-UHFFFAOYSA-N 0 0 249.745 3.520 20 0 BHADRN FC1(c2nc(CC3CCCC3)no2)CCCC1 ZINC000560033186 383855572 /nfs/dbraw/zinc/85/55/72/383855572.db2.gz DTBVWHRQAFZXJX-UHFFFAOYSA-N 0 0 238.306 3.541 20 0 BHADRN Cc1cc(-c2nc(CC3CCCC3)no2)oc1C ZINC000560033260 322982211 /nfs/dbraw/zinc/98/22/11/322982211.db2.gz AEOFGTZIHSETSG-UHFFFAOYSA-N 0 0 246.310 3.679 20 0 BHADRN Cc1cccc(-c2nc(CC3CCCC3)no2)c1 ZINC000560033957 322982293 /nfs/dbraw/zinc/98/22/93/322982293.db2.gz JFWSIEWGUBSLJF-UHFFFAOYSA-N 0 0 242.322 3.778 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc(CC2CCCC2)no1 ZINC000560035064 322982285 /nfs/dbraw/zinc/98/22/85/322982285.db2.gz VDNZCMVOMFREKF-VXGBXAGGSA-N 0 0 234.343 3.706 20 0 BHADRN C(c1noc([C@H]2CC23CCCC3)n1)C1CCCC1 ZINC000560035668 383854993 /nfs/dbraw/zinc/85/49/93/383854993.db2.gz RRECMLRYJUMVNT-GFCCVEGCSA-N 0 0 246.354 3.850 20 0 BHADRN C(c1noc([C@@H]2CC23CCCC3)n1)C1CCCC1 ZINC000560035669 322982215 /nfs/dbraw/zinc/98/22/15/322982215.db2.gz RRECMLRYJUMVNT-LBPRGKRZSA-N 0 0 246.354 3.850 20 0 BHADRN C(c1noc(C2CCCCC2)n1)C1CCCC1 ZINC000560035842 383856260 /nfs/dbraw/zinc/85/62/60/383856260.db2.gz RDPHXPQEAOPXFU-UHFFFAOYSA-N 0 0 234.343 3.850 20 0 BHADRN C[C@@H]1CC=CC[C@H]1c1nc(CC2CCCC2)no1 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C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000560041370 383854891 /nfs/dbraw/zinc/85/48/91/383854891.db2.gz MIARSFXULXACBV-UXXRCYHCSA-N 0 0 249.398 3.530 20 0 BHADRN CC(C)c1nc(Cc2cc3ccccc3o2)no1 ZINC000560046912 383864459 /nfs/dbraw/zinc/86/44/59/383864459.db2.gz CAMPBXUDSXFWGS-UHFFFAOYSA-N 0 0 242.278 3.530 20 0 BHADRN CC[C@@H]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC000560047312 322982323 /nfs/dbraw/zinc/98/23/23/322982323.db2.gz BXVXWYGUWRFBEM-GHMZBOCLSA-N 0 0 222.332 3.877 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC000560047313 383866308 /nfs/dbraw/zinc/86/63/08/383866308.db2.gz BXVXWYGUWRFBEM-MNOVXSKESA-N 0 0 222.332 3.877 20 0 BHADRN CC[C@H]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC000560047314 383865103 /nfs/dbraw/zinc/86/51/03/383865103.db2.gz BXVXWYGUWRFBEM-QWRGUYRKSA-N 0 0 222.332 3.877 20 0 BHADRN CC[C@H]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC000560047315 383866609 /nfs/dbraw/zinc/86/66/09/383866609.db2.gz BXVXWYGUWRFBEM-WDEREUQCSA-N 0 0 222.332 3.877 20 0 BHADRN 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BHADRN Cc1ccccc1[C@H](C)N(C)C(=O)C[C@@H]1C[C@H]1C ZINC000562061006 323011476 /nfs/dbraw/zinc/01/14/76/323011476.db2.gz DBQMKAYWQOUTOG-RDBSUJKOSA-N 0 0 245.366 3.561 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1cccc2ncccc21 ZINC000562062634 323011279 /nfs/dbraw/zinc/01/12/79/323011279.db2.gz ZSIZKFAVERFIQR-AAEUAGOBSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cccc2ncccc21 ZINC000562062635 323011266 /nfs/dbraw/zinc/01/12/66/323011266.db2.gz ZSIZKFAVERFIQR-DGCLKSJQSA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1cccc2ncccc21 ZINC000562062636 323011225 /nfs/dbraw/zinc/01/12/25/323011225.db2.gz ZSIZKFAVERFIQR-WCQYABFASA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cccc2ncccc21 ZINC000562062637 323011267 /nfs/dbraw/zinc/01/12/67/323011267.db2.gz ZSIZKFAVERFIQR-YPMHNXCESA-N 0 0 226.323 3.835 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1cccc2c1OCCC2 ZINC000562063823 323011293 /nfs/dbraw/zinc/01/12/93/323011293.db2.gz GHBFERKLUCAKDH-AAEUAGOBSA-N 0 0 231.339 3.612 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cccc2c1OCCC2 ZINC000562063825 323011281 /nfs/dbraw/zinc/01/12/81/323011281.db2.gz GHBFERKLUCAKDH-DGCLKSJQSA-N 0 0 231.339 3.612 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1cccc2c1OCCC2 ZINC000562063826 323011290 /nfs/dbraw/zinc/01/12/90/323011290.db2.gz GHBFERKLUCAKDH-WCQYABFASA-N 0 0 231.339 3.612 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cccc2c1OCCC2 ZINC000562063827 323011256 /nfs/dbraw/zinc/01/12/56/323011256.db2.gz GHBFERKLUCAKDH-YPMHNXCESA-N 0 0 231.339 3.612 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)NCC(C)(C)C(C)(C)C)C1 ZINC000562067766 323011467 /nfs/dbraw/zinc/01/14/67/323011467.db2.gz LKGSLQPHMFTXBZ-NEPJUHHUSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H]1CC[C@@H](C(=O)NCC(C)(C)C(C)(C)C)C1 ZINC000562067767 323011532 /nfs/dbraw/zinc/01/15/32/323011532.db2.gz LKGSLQPHMFTXBZ-NWDGAFQWSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H]1CC[C@H](C(=O)NCC(C)(C)C(C)(C)C)C1 ZINC000562067768 323011472 /nfs/dbraw/zinc/01/14/72/323011472.db2.gz LKGSLQPHMFTXBZ-RYUDHWBXSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)NCC(C)(C)C(C)(C)C)C1 ZINC000562067769 323011536 /nfs/dbraw/zinc/01/15/36/323011536.db2.gz LKGSLQPHMFTXBZ-VXGBXAGGSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@@]1(C)C[C@@H]1C(=O)NCC(C)(C)C(C)(C)C ZINC000562068490 323011535 /nfs/dbraw/zinc/01/15/35/323011535.db2.gz CYWMILKXMYJLFP-ABAIWWIYSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@]1(C)C[C@@H]1C(=O)NCC(C)(C)C(C)(C)C ZINC000562068493 323011526 /nfs/dbraw/zinc/01/15/26/323011526.db2.gz CYWMILKXMYJLFP-IAQYHMDHSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@@]1(C)C[C@H]1C(=O)NCC(C)(C)C(C)(C)C ZINC000562068495 323011547 /nfs/dbraw/zinc/01/15/47/323011547.db2.gz CYWMILKXMYJLFP-NHYWBVRUSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@]1(C)C[C@H]1C(=O)NCC(C)(C)C(C)(C)C ZINC000562068497 323011495 /nfs/dbraw/zinc/01/14/95/323011495.db2.gz CYWMILKXMYJLFP-XHDPSFHLSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@@H](C)CC(=O)NCC(C)(C)C(C)(C)C ZINC000562069191 323011615 /nfs/dbraw/zinc/01/16/15/323011615.db2.gz FYHQPWPQRRDIKP-LLVKDONJSA-N 0 0 227.392 3.611 20 0 BHADRN CC[C@H](C)CC(=O)NCC(C)(C)C(C)(C)C ZINC000562069192 323011645 /nfs/dbraw/zinc/01/16/45/323011645.db2.gz FYHQPWPQRRDIKP-NSHDSACASA-N 0 0 227.392 3.611 20 0 BHADRN COc1ccc(C)cc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000562077792 323011693 /nfs/dbraw/zinc/01/16/93/323011693.db2.gz IBISRCBGKGCRCG-CHWSQXEVSA-N 0 0 231.339 3.604 20 0 BHADRN COc1ccc(C)cc1N[C@H]1CC[C@@H]1C1CC1 ZINC000562077793 323011731 /nfs/dbraw/zinc/01/17/31/323011731.db2.gz IBISRCBGKGCRCG-OLZOCXBDSA-N 0 0 231.339 3.604 20 0 BHADRN COc1ccc(C)cc1N[C@@H]1CC[C@H]1C1CC1 ZINC000562077794 323011730 /nfs/dbraw/zinc/01/17/30/323011730.db2.gz IBISRCBGKGCRCG-QWHCGFSZSA-N 0 0 231.339 3.604 20 0 BHADRN COc1ccc(C)cc1N[C@H]1CC[C@H]1C1CC1 ZINC000562077795 323011793 /nfs/dbraw/zinc/01/17/93/323011793.db2.gz IBISRCBGKGCRCG-STQMWFEESA-N 0 0 231.339 3.604 20 0 BHADRN CCOc1ccc(OC)cc1N[C@H]1CC[C@@H]1CC ZINC000562079594 323011700 /nfs/dbraw/zinc/01/17/00/323011700.db2.gz ICZMREPBCLJHOK-AAEUAGOBSA-N 0 0 249.354 3.694 20 0 BHADRN CCOc1ccc(OC)cc1N[C@@H]1CC[C@H]1CC ZINC000562079595 323011696 /nfs/dbraw/zinc/01/16/96/323011696.db2.gz ICZMREPBCLJHOK-DGCLKSJQSA-N 0 0 249.354 3.694 20 0 BHADRN CCOc1ccc(OC)cc1N[C@@H]1CC[C@@H]1CC ZINC000562079596 323011794 /nfs/dbraw/zinc/01/17/94/323011794.db2.gz ICZMREPBCLJHOK-WCQYABFASA-N 0 0 249.354 3.694 20 0 BHADRN CCOc1ccc(OC)cc1N[C@H]1CC[C@H]1CC ZINC000562079597 323011800 /nfs/dbraw/zinc/01/18/00/323011800.db2.gz ICZMREPBCLJHOK-YPMHNXCESA-N 0 0 249.354 3.694 20 0 BHADRN CC[C@@H](Nc1cc(F)cc(F)c1OC)C(C)C ZINC000562082961 323011912 /nfs/dbraw/zinc/01/19/12/323011912.db2.gz NPIHFWQPWCFWPS-LLVKDONJSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@H](Nc1cc(F)cc(F)c1OC)C(C)C ZINC000562082962 323011849 /nfs/dbraw/zinc/01/18/49/323011849.db2.gz NPIHFWQPWCFWPS-NSHDSACASA-N 0 0 243.297 3.820 20 0 BHADRN COc1c(F)cc(F)cc1N[C@H](C)CC(C)C ZINC000562083030 323011867 /nfs/dbraw/zinc/01/18/67/323011867.db2.gz RKYXQMTZWMOSJY-SECBINFHSA-N 0 0 243.297 3.820 20 0 BHADRN COc1c(F)cc(F)cc1N[C@@H](C)CC(C)C ZINC000562083031 323011873 /nfs/dbraw/zinc/01/18/73/323011873.db2.gz RKYXQMTZWMOSJY-VIFPVBQESA-N 0 0 243.297 3.820 20 0 BHADRN C(SCC1CCCCCC1)[C@H]1CCCO1 ZINC000562083260 323011801 /nfs/dbraw/zinc/01/18/01/323011801.db2.gz IXHBVMVMECWVDP-CYBMUJFWSA-N 0 0 228.401 3.869 20 0 BHADRN C(SCC1CCCCCC1)[C@@H]1CCCO1 ZINC000562083261 323011835 /nfs/dbraw/zinc/01/18/35/323011835.db2.gz IXHBVMVMECWVDP-ZDUSSCGKSA-N 0 0 228.401 3.869 20 0 BHADRN CC(C)Cn1ncc(NC2CCCC2)c1C1CC1 ZINC000562084459 323011824 /nfs/dbraw/zinc/01/18/24/323011824.db2.gz NJUAEIIPABQDCG-UHFFFAOYSA-N 0 0 247.386 3.771 20 0 BHADRN CCCc1ccccc1NC(=O)N[C@H]1CC[C@@H]1C ZINC000562101472 323012164 /nfs/dbraw/zinc/01/21/64/323012164.db2.gz JKAQWOILAOCJQZ-AAEUAGOBSA-N 0 0 246.354 3.559 20 0 BHADRN CCCc1ccccc1NC(=O)N[C@@H]1CC[C@H]1C ZINC000562101473 323012201 /nfs/dbraw/zinc/01/22/01/323012201.db2.gz JKAQWOILAOCJQZ-DGCLKSJQSA-N 0 0 246.354 3.559 20 0 BHADRN CCCc1ccccc1NC(=O)N[C@@H]1CC[C@@H]1C ZINC000562101474 323012115 /nfs/dbraw/zinc/01/21/15/323012115.db2.gz JKAQWOILAOCJQZ-WCQYABFASA-N 0 0 246.354 3.559 20 0 BHADRN CCCc1ccccc1NC(=O)N[C@H]1CC[C@H]1C ZINC000562101475 323012134 /nfs/dbraw/zinc/01/21/34/323012134.db2.gz JKAQWOILAOCJQZ-YPMHNXCESA-N 0 0 246.354 3.559 20 0 BHADRN CC(C)Cn1ncc(N[C@H](C)C2CC2)c1C1CC1 ZINC000562107844 323012207 /nfs/dbraw/zinc/01/22/07/323012207.db2.gz JNSSCTYUEWJLLU-LLVKDONJSA-N 0 0 247.386 3.627 20 0 BHADRN CC(C)Cn1ncc(N[C@@H](C)C2CC2)c1C1CC1 ZINC000562107845 323012227 /nfs/dbraw/zinc/01/22/27/323012227.db2.gz JNSSCTYUEWJLLU-NSHDSACASA-N 0 0 247.386 3.627 20 0 BHADRN C[C@@H]1C[C@H]1Cc1nc(-c2ccccc2Cl)no1 ZINC000562108597 323012295 /nfs/dbraw/zinc/01/22/95/323012295.db2.gz GMIIJDWIMHRSRJ-BDAKNGLRSA-N 0 0 248.713 3.589 20 0 BHADRN C[C@H]1C[C@@H]1Cc1nc(-c2ccccc2Cl)no1 ZINC000562108600 323012210 /nfs/dbraw/zinc/01/22/10/323012210.db2.gz GMIIJDWIMHRSRJ-DTWKUNHWSA-N 0 0 248.713 3.589 20 0 BHADRN C[C@H]1C[C@H]1Cc1nc(-c2ccccc2Cl)no1 ZINC000562108601 323012230 /nfs/dbraw/zinc/01/22/30/323012230.db2.gz GMIIJDWIMHRSRJ-IUCAKERBSA-N 0 0 248.713 3.589 20 0 BHADRN C[C@@H]1C[C@@H]1Cc1nc(-c2ccccc2Cl)no1 ZINC000562108603 323012228 /nfs/dbraw/zinc/01/22/28/323012228.db2.gz GMIIJDWIMHRSRJ-RKDXNWHRSA-N 0 0 248.713 3.589 20 0 BHADRN CCCCC(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000562118469 323012258 /nfs/dbraw/zinc/01/22/58/323012258.db2.gz NYFUNRAHDLFJFX-HNNXBMFYSA-N 0 0 245.366 3.583 20 0 BHADRN CCCCC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000562118470 323012213 /nfs/dbraw/zinc/01/22/13/323012213.db2.gz NYFUNRAHDLFJFX-OAHLLOKOSA-N 0 0 245.366 3.583 20 0 BHADRN Cc1occc1-c1noc(C[C@@H](C)CC(C)C)n1 ZINC000562123198 323012342 /nfs/dbraw/zinc/01/23/42/323012342.db2.gz PHLPYHIWUFQWQV-JTQLQIEISA-N 0 0 248.326 3.863 20 0 BHADRN Cc1occc1-c1noc(C[C@H](C)CC(C)C)n1 ZINC000562123199 323012344 /nfs/dbraw/zinc/01/23/44/323012344.db2.gz PHLPYHIWUFQWQV-SNVBAGLBSA-N 0 0 248.326 3.863 20 0 BHADRN Clc1ccc(CSCc2ccco2)nc1 ZINC000562140226 323012580 /nfs/dbraw/zinc/01/25/80/323012580.db2.gz AGSKIAOYGFXYDR-UHFFFAOYSA-N 0 0 239.727 3.761 20 0 BHADRN CCCCOc1cccc2c1OC(C)(C)C2 ZINC000562143523 323012648 /nfs/dbraw/zinc/01/26/48/323012648.db2.gz YMDMGVXJIQXRHO-UHFFFAOYSA-N 0 0 220.312 3.579 20 0 BHADRN CC(C)c1noc([C@@H]2CC23CCCCC3)n1 ZINC000562181886 323013088 /nfs/dbraw/zinc/01/30/88/323013088.db2.gz PKXAAEALLUUTNM-JTQLQIEISA-N 0 0 220.316 3.631 20 0 BHADRN CC(C)c1noc([C@H]2CC23CCCCC3)n1 ZINC000562181887 323013022 /nfs/dbraw/zinc/01/30/22/323013022.db2.gz PKXAAEALLUUTNM-SNVBAGLBSA-N 0 0 220.316 3.631 20 0 BHADRN CC(C)C(CNC(=O)C1=CCCCC1)C(C)C ZINC000562196805 323013211 /nfs/dbraw/zinc/01/32/11/323013211.db2.gz YAFLPUFTVCQZHE-UHFFFAOYSA-N 0 0 237.387 3.531 20 0 BHADRN C[C@@H](NC(=O)CC1=CCCCC1)C1CCCCC1 ZINC000562204797 323013297 /nfs/dbraw/zinc/01/32/97/323013297.db2.gz JPZHKPMDVHIKKD-CYBMUJFWSA-N 0 0 249.398 3.962 20 0 BHADRN C[C@H](NC(=O)CC1=CCCCC1)C1CCCCC1 ZINC000562204798 323013292 /nfs/dbraw/zinc/01/32/92/323013292.db2.gz JPZHKPMDVHIKKD-ZDUSSCGKSA-N 0 0 249.398 3.962 20 0 BHADRN CCc1nc(-c2cc(F)ccc2F)sc1C ZINC000562228574 323013663 /nfs/dbraw/zinc/01/36/63/323013663.db2.gz FNMUTHYJKNYKIZ-UHFFFAOYSA-N 0 0 239.290 3.959 20 0 BHADRN CCCC[C@H](C)N(C)c1nnc(C(C)C)s1 ZINC000562241755 345311139 /nfs/dbraw/zinc/31/11/39/345311139.db2.gz BRVUXCFFDGWTIY-JTQLQIEISA-N 0 0 241.404 3.676 20 0 BHADRN CCCC[C@@H](C)N(C)c1nnc(C(C)C)s1 ZINC000562241761 345311175 /nfs/dbraw/zinc/31/11/75/345311175.db2.gz BRVUXCFFDGWTIY-SNVBAGLBSA-N 0 0 241.404 3.676 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C[C@H]1CCC[C@H]1C ZINC000562252291 323013957 /nfs/dbraw/zinc/01/39/57/323013957.db2.gz FFXHYEMMWBKNNW-HZSPNIEDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC000562252295 323013955 /nfs/dbraw/zinc/01/39/55/323013955.db2.gz FFXHYEMMWBKNNW-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C[C@H]1CCC[C@@H]1C ZINC000562252296 323013884 /nfs/dbraw/zinc/01/38/84/323013884.db2.gz FFXHYEMMWBKNNW-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN 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242.388 3.791 20 0 BHADRN CCC[C@](C)(CC)c1nc(CSCC)no1 ZINC000563649648 323133798 /nfs/dbraw/zinc/13/37/98/323133798.db2.gz JHGOKAWBNLQOBE-LBPRGKRZSA-N 0 0 242.388 3.791 20 0 BHADRN CC(C)CC1(c2nc(-c3cccs3)no2)CC1 ZINC000563651017 323133757 /nfs/dbraw/zinc/13/37/57/323133757.db2.gz OOWMURXRMWGGLH-UHFFFAOYSA-N 0 0 248.351 3.876 20 0 BHADRN CCCC[C@H](C)c1nc(CCC2CC2)no1 ZINC000563651947 323133768 /nfs/dbraw/zinc/13/37/68/323133768.db2.gz WJOBQVCTGKAYSQ-JTQLQIEISA-N 0 0 222.332 3.706 20 0 BHADRN CCCC[C@@H](C)c1nc(CCC2CC2)no1 ZINC000563651958 323133709 /nfs/dbraw/zinc/13/37/09/323133709.db2.gz WJOBQVCTGKAYSQ-SNVBAGLBSA-N 0 0 222.332 3.706 20 0 BHADRN Cc1cnn(CCSc2cc(C)ccc2C)c1 ZINC000563672098 323134494 /nfs/dbraw/zinc/13/44/94/323134494.db2.gz BKEVQFYHLQOOCO-UHFFFAOYSA-N 0 0 246.379 3.601 20 0 BHADRN Cc1cccc(CN(C)C(=O)[C@H](C)C(C)C)c1C ZINC000563702370 323174334 /nfs/dbraw/zinc/17/43/34/323174334.db2.gz KIGAEVRMIHUKBS-CYBMUJFWSA-N 0 0 247.382 3.554 20 0 BHADRN Cc1cccc(CN(C)C(=O)[C@@H](C)C(C)C)c1C ZINC000563702373 323174337 /nfs/dbraw/zinc/17/43/37/323174337.db2.gz KIGAEVRMIHUKBS-ZDUSSCGKSA-N 0 0 247.382 3.554 20 0 BHADRN CC(C)(C)CCCCC(=O)NCCCC1CC1 ZINC000563705964 323174568 /nfs/dbraw/zinc/17/45/68/323174568.db2.gz DXZPCYUUDPRNQK-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC[C@@H](C)C(=O)NC(C1CCC1)C1CCC1 ZINC000563716262 323175398 /nfs/dbraw/zinc/17/53/98/323175398.db2.gz NTLBFQKCZDODOV-LLVKDONJSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](C)C(=O)NC(C1CCC1)C1CCC1 ZINC000563716278 323175367 /nfs/dbraw/zinc/17/53/67/323175367.db2.gz NTLBFQKCZDODOV-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CCCCC1 ZINC000563717502 323175417 /nfs/dbraw/zinc/17/54/17/323175417.db2.gz QDKQRSUKMRRWOJ-BYCMXARLSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CCCCC1 ZINC000563717503 323175491 /nfs/dbraw/zinc/17/54/91/323175491.db2.gz QDKQRSUKMRRWOJ-TUKIKUTGSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2CC[C@H]2C)CCCC1 ZINC000563720898 323175706 /nfs/dbraw/zinc/17/57/06/323175706.db2.gz CNFZLBQQLSYEHV-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@H]2CC[C@H]2C)CCCC1 ZINC000563720903 323175712 /nfs/dbraw/zinc/17/57/12/323175712.db2.gz CNFZLBQQLSYEHV-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@@H]2CC[C@@H]2C)CCCC1 ZINC000563720906 323175721 /nfs/dbraw/zinc/17/57/21/323175721.db2.gz CNFZLBQQLSYEHV-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC1(C(=O)N[C@H]2CC[C@@H]2C)CCCC1 ZINC000563720907 323175707 /nfs/dbraw/zinc/17/57/07/323175707.db2.gz CNFZLBQQLSYEHV-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN CCCN(C(=O)c1ccccc1CC)C(C)C ZINC000563727493 353411784 /nfs/dbraw/zinc/41/17/84/353411784.db2.gz UGVGMAGDFZLDOM-UHFFFAOYSA-N 0 0 233.355 3.510 20 0 BHADRN CC(F)(F)CNCc1cccc2ccccc21 ZINC000563732085 323176675 /nfs/dbraw/zinc/17/66/75/323176675.db2.gz LCYVQFUFPHNBJN-UHFFFAOYSA-N 0 0 235.277 3.585 20 0 BHADRN CC1(C)CC[C@H]1NC(=O)C1(C)CCCCCC1 ZINC000563734304 323176717 /nfs/dbraw/zinc/17/67/17/323176717.db2.gz YTQNBDDKILTEKJ-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CC[C@@H]1NC(=O)C1(C)CCCCCC1 ZINC000563734310 323176699 /nfs/dbraw/zinc/17/66/99/323176699.db2.gz YTQNBDDKILTEKJ-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)C(C)(C)CNC(=O)CC1(C)CCCC1 ZINC000563746764 323176739 /nfs/dbraw/zinc/17/67/39/323176739.db2.gz HYCPGFAMDATGOJ-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CCc1ccccc1NC(=O)NC(C)(C)C(C)C ZINC000563766343 386431298 /nfs/dbraw/zinc/43/12/98/386431298.db2.gz LXDNMYMJTYBXRL-UHFFFAOYSA-N 0 0 248.370 3.805 20 0 BHADRN CC1(C)CCN(C(=O)C2CCC2)c2ccccc21 ZINC000563773858 323177350 /nfs/dbraw/zinc/17/73/50/323177350.db2.gz FTNRXZVYPRDYTQ-UHFFFAOYSA-N 0 0 243.350 3.501 20 0 BHADRN CC(C)c1ccoc1-c1nc([C@@H]2C[C@H]2C)no1 ZINC000563774037 323177331 /nfs/dbraw/zinc/17/73/31/323177331.db2.gz MMIYOOWWOHEEDZ-PSASIEDQSA-N 0 0 232.283 3.576 20 0 BHADRN CC(C)c1ccoc1-c1nc([C@H]2C[C@H]2C)no1 ZINC000563774044 323177357 /nfs/dbraw/zinc/17/73/57/323177357.db2.gz MMIYOOWWOHEEDZ-SCZZXKLOSA-N 0 0 232.283 3.576 20 0 BHADRN CC(C)c1ccoc1-c1nc([C@@H]2C[C@@H]2C)no1 ZINC000563774046 323177360 /nfs/dbraw/zinc/17/73/60/323177360.db2.gz MMIYOOWWOHEEDZ-WCBMZHEXSA-N 0 0 232.283 3.576 20 0 BHADRN CC(C)c1ccoc1-c1nc([C@H]2C[C@@H]2C)no1 ZINC000563774047 323177346 /nfs/dbraw/zinc/17/73/46/323177346.db2.gz MMIYOOWWOHEEDZ-WPRPVWTQSA-N 0 0 232.283 3.576 20 0 BHADRN CC(C)(c1nc(CC2(C)CCCC2)no1)C1CC1 ZINC000563778452 323177417 /nfs/dbraw/zinc/17/74/17/323177417.db2.gz SZDRJSGGGQIQSF-UHFFFAOYSA-N 0 0 248.370 3.880 20 0 BHADRN COC[C@H](C)SCc1ccc(C)cc1Cl ZINC000563778980 323177465 /nfs/dbraw/zinc/17/74/65/323177465.db2.gz AFBTVXFFXFJTIQ-JTQLQIEISA-N 0 0 244.787 3.917 20 0 BHADRN COC[C@@H](C)SCc1ccc(C)cc1Cl ZINC000563778981 323177381 /nfs/dbraw/zinc/17/73/81/323177381.db2.gz AFBTVXFFXFJTIQ-SNVBAGLBSA-N 0 0 244.787 3.917 20 0 BHADRN CC(C)C(C)(C)NC(=O)[C@H](C)CCC(C)(C)C ZINC000563779600 323177512 /nfs/dbraw/zinc/17/75/12/323177512.db2.gz UMAFFENZMTWOQW-GFCCVEGCSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)C(C)(C)NC(=O)[C@@H](C)CCC(C)(C)C ZINC000563779601 323177410 /nfs/dbraw/zinc/17/74/10/323177410.db2.gz UMAFFENZMTWOQW-LBPRGKRZSA-N 0 0 241.419 4.000 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H](C)C1CCCCC1 ZINC000563789816 353516952 /nfs/dbraw/zinc/51/69/52/353516952.db2.gz ANYGBEPFLKXYNG-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@@H](C)C1CCCCC1 ZINC000563789821 353516837 /nfs/dbraw/zinc/51/68/37/353516837.db2.gz ANYGBEPFLKXYNG-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H](C)C1CCCCC1 ZINC000563789822 353516877 /nfs/dbraw/zinc/51/68/77/353516877.db2.gz ANYGBEPFLKXYNG-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H](C)C1CCCCC1 ZINC000563789824 353517021 /nfs/dbraw/zinc/51/70/21/353517021.db2.gz ANYGBEPFLKXYNG-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CN(C(=O)[C@H]1CCCC[C@@H]1C1CC1)C1CCCC1 ZINC000563811473 323178744 /nfs/dbraw/zinc/17/87/44/323178744.db2.gz FNPXCRMDWMSEAS-CABCVRRESA-N 0 0 249.398 3.604 20 0 BHADRN CN(C(=O)[C@H]1CCCC[C@H]1C1CC1)C1CCCC1 ZINC000563811474 323178681 /nfs/dbraw/zinc/17/86/81/323178681.db2.gz FNPXCRMDWMSEAS-GJZGRUSLSA-N 0 0 249.398 3.604 20 0 BHADRN CN(C(=O)[C@@H]1CCCC[C@@H]1C1CC1)C1CCCC1 ZINC000563811475 323178719 /nfs/dbraw/zinc/17/87/19/323178719.db2.gz FNPXCRMDWMSEAS-HUUCEWRRSA-N 0 0 249.398 3.604 20 0 BHADRN CN(C(=O)[C@@H]1CCCC[C@H]1C1CC1)C1CCCC1 ZINC000563811476 323178761 /nfs/dbraw/zinc/17/87/61/323178761.db2.gz FNPXCRMDWMSEAS-LSDHHAIUSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)[C@H]1C ZINC000563814582 323178928 /nfs/dbraw/zinc/17/89/28/323178928.db2.gz KMMBBJBFRORTPJ-BDAKNGLRSA-N 0 0 244.165 3.834 20 0 BHADRN C[C@@H]1[C@@H](C)CN1Cc1ccc(Cl)c(Cl)c1 ZINC000563814586 323178958 /nfs/dbraw/zinc/17/89/58/323178958.db2.gz KMMBBJBFRORTPJ-DTWKUNHWSA-N 0 0 244.165 3.834 20 0 BHADRN C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)[C@H]1C ZINC000563814587 323178950 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CC[C@]1(C)CCN(C(=O)CC2(C)CCCC2)C1 ZINC000568557681 326365222 /nfs/dbraw/zinc/36/52/22/326365222.db2.gz WRFJDYLRCVFVSA-CQSZACIVSA-N 0 0 237.387 3.605 20 0 BHADRN CC(C)=CCNc1ccc(F)cc1OC(F)F ZINC000568561778 326365422 /nfs/dbraw/zinc/36/54/22/326365422.db2.gz MBANRTYLHNNPEQ-UHFFFAOYSA-N 0 0 245.244 3.805 20 0 BHADRN C/C=C/c1ccc(NCc2ncc(CC)o2)cc1 ZINC000568562729 326365378 /nfs/dbraw/zinc/36/53/78/326365378.db2.gz XHBLZAYXSLTAOE-HWKANZROSA-N 0 0 242.322 3.882 20 0 BHADRN C/C=C\c1ccc(NCc2ncc(CC)o2)cc1 ZINC000568562734 326365349 /nfs/dbraw/zinc/36/53/49/326365349.db2.gz XHBLZAYXSLTAOE-HYXAFXHYSA-N 0 0 242.322 3.882 20 0 BHADRN Cc1c(NCC2(C)CC2)cnn1C1CCCC1 ZINC000568581722 326365617 /nfs/dbraw/zinc/36/56/17/326365617.db2.gz XIJHHQRRXDXVIF-UHFFFAOYSA-N 0 0 233.359 3.519 20 0 BHADRN Cc1ccc(NC(=O)C2CC3(CCC3)C2)c(C)c1 ZINC000568630341 326368892 /nfs/dbraw/zinc/36/88/92/326368892.db2.gz OOIHZABNSIZUHO-UHFFFAOYSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1cccc(N(C)C(=O)C2CC3(CCC3)C2)c1 ZINC000568633932 326369759 /nfs/dbraw/zinc/36/97/59/326369759.db2.gz DKDFQDHSVWFZFR-UHFFFAOYSA-N 0 0 243.350 3.538 20 0 BHADRN C[C@H](NC(=O)c1cccc(C(C)(C)C)c1)C1CC1 ZINC000568645157 326370664 /nfs/dbraw/zinc/37/06/64/326370664.db2.gz ZLMJWMKGRXZKCM-NSHDSACASA-N 0 0 245.366 3.512 20 0 BHADRN Cc1cc(C(F)(F)F)nn1CCC1CCCC1 ZINC000568645343 326370666 /nfs/dbraw/zinc/37/06/66/326370666.db2.gz WEQXEMKOEQBNGA-UHFFFAOYSA-N 0 0 246.276 3.791 20 0 BHADRN Cc1nc(CSCc2cccc(F)c2)co1 ZINC000568651003 326370976 /nfs/dbraw/zinc/37/09/76/326370976.db2.gz FOZWHBUAGHUSKR-UHFFFAOYSA-N 0 0 237.299 3.556 20 0 BHADRN COC1CC(S[C@@H](C)c2ccc(F)cc2)C1 ZINC000568654125 326371407 /nfs/dbraw/zinc/37/14/07/326371407.db2.gz NGJVKPRWOQGFIN-ALXWSUNGSA-N 0 0 240.343 3.797 20 0 BHADRN COC1CC(S[C@H](C)c2ccc(F)cc2)C1 ZINC000568654127 326371401 /nfs/dbraw/zinc/37/14/01/326371401.db2.gz NGJVKPRWOQGFIN-UHEGKEBESA-N 0 0 240.343 3.797 20 0 BHADRN CC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1C ZINC000568659459 326371375 /nfs/dbraw/zinc/37/13/75/326371375.db2.gz AFTHALRWPGHNLL-UHFFFAOYSA-N 0 0 247.338 3.572 20 0 BHADRN Cc1csc2ncnc(NCCCC3CC3)c12 ZINC000568660687 326371615 /nfs/dbraw/zinc/37/16/15/326371615.db2.gz VDKMUEXBSONSNU-UHFFFAOYSA-N 0 0 247.367 3.602 20 0 BHADRN Cc1nc(CSCc2ccc(F)cc2)co1 ZINC000568664367 326371986 /nfs/dbraw/zinc/37/19/86/326371986.db2.gz QJYBEMCTPGQMFJ-UHFFFAOYSA-N 0 0 237.299 3.556 20 0 BHADRN FCCCCSCc1ccc(Cl)cn1 ZINC000568671347 326372257 /nfs/dbraw/zinc/37/22/57/326372257.db2.gz FXGYOTVUPDIIDF-UHFFFAOYSA-N 0 0 233.739 3.718 20 0 BHADRN Cc1ccc(NC(=O)N[C@@H]2CCC2(C)C)cc1C ZINC000568676636 326372350 /nfs/dbraw/zinc/37/23/50/326372350.db2.gz LHCFNSLQGJSBJJ-CYBMUJFWSA-N 0 0 246.354 3.614 20 0 BHADRN Cc1ccc(NC(=O)N[C@H]2CCC2(C)C)cc1C ZINC000568676639 326372151 /nfs/dbraw/zinc/37/21/51/326372151.db2.gz LHCFNSLQGJSBJJ-ZDUSSCGKSA-N 0 0 246.354 3.614 20 0 BHADRN CC[C@@H](C)c1noc([C@@H]2CC=CC[C@H]2C)n1 ZINC000568680269 326372206 /nfs/dbraw/zinc/37/22/06/326372206.db2.gz FTQYMEUMVBEJLP-GMTAPVOTSA-N 0 0 220.316 3.653 20 0 BHADRN CCc1ccc(NCCOC2CCC2)cc1CC ZINC000568680280 326372269 /nfs/dbraw/zinc/37/22/69/326372269.db2.gz GDYYRGZGCUOZBZ-UHFFFAOYSA-N 0 0 247.382 3.792 20 0 BHADRN CC[C@@H](C)CC(=O)Nc1cccc(F)c1Cl ZINC000568680319 326372127 /nfs/dbraw/zinc/37/21/27/326372127.db2.gz HPGDKSUTXRVVPN-MRVPVSSYSA-N 0 0 243.709 3.854 20 0 BHADRN CC[C@H](C)CC(=O)Nc1cccc(F)c1Cl ZINC000568680320 326372120 /nfs/dbraw/zinc/37/21/20/326372120.db2.gz HPGDKSUTXRVVPN-QMMMGPOBSA-N 0 0 243.709 3.854 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)CC2(C)CCCC2)CC1 ZINC000568689106 326372492 /nfs/dbraw/zinc/37/24/92/326372492.db2.gz BZVFUBHQWDYPSW-JOCQHMNTSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1cccc([C@@H](C)SCc2ccn(C)n2)c1 ZINC000568698624 326372841 /nfs/dbraw/zinc/37/28/41/326372841.db2.gz OUUVUOJLAVQARZ-GFCCVEGCSA-N 0 0 246.379 3.723 20 0 BHADRN Cc1cccc([C@H](C)SCc2ccn(C)n2)c1 ZINC000568698625 326372786 /nfs/dbraw/zinc/37/27/86/326372786.db2.gz OUUVUOJLAVQARZ-LBPRGKRZSA-N 0 0 246.379 3.723 20 0 BHADRN FC(F)(F)Cc1noc(C2CCCCCC2)n1 ZINC000568701529 326372893 /nfs/dbraw/zinc/37/28/93/326372893.db2.gz AJBVSFVXOVCIFK-UHFFFAOYSA-N 0 0 248.248 3.612 20 0 BHADRN C[C@H](CCNC(=O)C[C@@H]1C[C@@H]1C)CC(C)(C)C ZINC000568735655 326374021 /nfs/dbraw/zinc/37/40/21/326374021.db2.gz BEZNUHQFFMOLFA-AGIUHOORSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H](CCNC(=O)C[C@H]1C[C@@H]1C)CC(C)(C)C ZINC000568735658 326373855 /nfs/dbraw/zinc/37/38/55/326373855.db2.gz BEZNUHQFFMOLFA-FRRDWIJNSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H](CCNC(=O)C[C@H]1C[C@H]1C)CC(C)(C)C ZINC000568735660 326373940 /nfs/dbraw/zinc/37/39/40/326373940.db2.gz BEZNUHQFFMOLFA-JHJVBQTASA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H](CCNC(=O)C[C@@H]1C[C@H]1C)CC(C)(C)C ZINC000568735662 326373851 /nfs/dbraw/zinc/37/38/51/326373851.db2.gz BEZNUHQFFMOLFA-UPJWGTAASA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)NC(=O)[C@H](C)CC(C)(C)C ZINC000568742578 326374358 /nfs/dbraw/zinc/37/43/58/326374358.db2.gz YUXQFCFGZWRATE-LLVKDONJSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)C(C)(C)NC(=O)[C@@H](C)CC(C)(C)C ZINC000568742579 326374590 /nfs/dbraw/zinc/37/45/90/326374590.db2.gz YUXQFCFGZWRATE-NSHDSACASA-N 0 0 227.392 3.610 20 0 BHADRN Cc1ccc(C[S@](=O)[C@@H](C)C(C)C)c(C)c1 ZINC000568749256 326374777 /nfs/dbraw/zinc/37/47/77/326374777.db2.gz HVXGTFOPYLKGHN-BBRMVZONSA-N 0 0 238.396 3.597 20 0 BHADRN Cc1ccc(C[S@](=O)[C@H](C)C(C)C)c(C)c1 ZINC000568749270 326374812 /nfs/dbraw/zinc/37/48/12/326374812.db2.gz HVXGTFOPYLKGHN-CJNGLKHVSA-N 0 0 238.396 3.597 20 0 BHADRN Cc1ccc(C[S@@](=O)[C@H](C)C(C)C)c(C)c1 ZINC000568749271 326374825 /nfs/dbraw/zinc/37/48/25/326374825.db2.gz HVXGTFOPYLKGHN-CZUORRHYSA-N 0 0 238.396 3.597 20 0 BHADRN Cc1ccc(C[S@@](=O)[C@@H](C)C(C)C)c(C)c1 ZINC000568749272 326374662 /nfs/dbraw/zinc/37/46/62/326374662.db2.gz HVXGTFOPYLKGHN-XJKSGUPXSA-N 0 0 238.396 3.597 20 0 BHADRN CC(=O)[C@H](Sc1ccc(F)cc1F)C(C)C ZINC000568749480 326373996 /nfs/dbraw/zinc/37/39/96/326373996.db2.gz ZKUVEDWDTZGRBZ-GFCCVEGCSA-N 0 0 244.306 3.671 20 0 BHADRN CC(=O)[C@@H](Sc1ccc(F)cc1F)C(C)C ZINC000568749485 326373988 /nfs/dbraw/zinc/37/39/88/326373988.db2.gz ZKUVEDWDTZGRBZ-LBPRGKRZSA-N 0 0 244.306 3.671 20 0 BHADRN CCc1nc(C)cc(Oc2ccc(F)c(C)c2)n1 ZINC000568754769 326375352 /nfs/dbraw/zinc/37/53/52/326375352.db2.gz QXHNUPCQVNUUNH-UHFFFAOYSA-N 0 0 246.285 3.587 20 0 BHADRN C[C@@H](NC(=O)CCC1CCCC1)C(C)(C)C ZINC000568755258 326375307 /nfs/dbraw/zinc/37/53/07/326375307.db2.gz YMWFMOIVQZPEAS-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCc1nocc1COc1ccccc1C(C)C ZINC000568768514 326376783 /nfs/dbraw/zinc/37/67/83/326376783.db2.gz WFRLQIGVIJWZDW-UHFFFAOYSA-N 0 0 245.322 3.939 20 0 BHADRN Cc1nc(CNc2ccc(C(C)C)cc2)[nH]c1C ZINC000568770357 326376777 /nfs/dbraw/zinc/37/67/77/326376777.db2.gz UDQIUSGZVJGXKN-UHFFFAOYSA-N 0 0 243.354 3.762 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c1F ZINC000568776373 326376991 /nfs/dbraw/zinc/37/69/91/326376991.db2.gz ZYOQRGLLRLEOPI-ZYHUDNBSSA-N 0 0 247.313 3.675 20 0 BHADRN FC(F)(F)CNCc1ccc(C2CCC2)cc1 ZINC000568785541 326377630 /nfs/dbraw/zinc/37/76/30/326377630.db2.gz DLIZZRUKNKXHJX-UHFFFAOYSA-N 0 0 243.272 3.606 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)C1CCCCC1 ZINC000568789227 326377709 /nfs/dbraw/zinc/37/77/09/326377709.db2.gz DWLDQLUXZXRBAA-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN C(CSC1CCCC1)CC1CCOCC1 ZINC000568793408 326377669 /nfs/dbraw/zinc/37/76/69/326377669.db2.gz ZBDKMWBJKLGTLC-UHFFFAOYSA-N 0 0 228.401 3.869 20 0 BHADRN C/C=C\c1ccc(NC[C@H]2CCCOC2)cc1 ZINC000568795082 326377633 /nfs/dbraw/zinc/37/76/33/326377633.db2.gz AOBZJLXWOIAASR-CTGSTSKSSA-N 0 0 231.339 3.558 20 0 BHADRN C/C=C/c1ccc(NC[C@H]2CCCOC2)cc1 ZINC000568795083 326377760 /nfs/dbraw/zinc/37/77/60/326377760.db2.gz AOBZJLXWOIAASR-KWEXDPCDSA-N 0 0 231.339 3.558 20 0 BHADRN C/C=C/c1ccc(NC[C@@H]2CCCOC2)cc1 ZINC000568795084 326377679 /nfs/dbraw/zinc/37/76/79/326377679.db2.gz AOBZJLXWOIAASR-PMUGQKEBSA-N 0 0 231.339 3.558 20 0 BHADRN C/C=C\c1ccc(NC[C@@H]2CCCOC2)cc1 ZINC000568795085 326377599 /nfs/dbraw/zinc/37/75/99/326377599.db2.gz AOBZJLXWOIAASR-XBPVQUQDSA-N 0 0 231.339 3.558 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N[C@H]1CCC[C@H]1F ZINC000568804508 322940166 /nfs/dbraw/zinc/94/01/66/322940166.db2.gz ADBSVGAGNZHNHC-UPJWGTAASA-N 0 0 243.366 3.600 20 0 BHADRN CCCC[C@H](CC)CC(=O)N[C@H]1CCC[C@H]1F ZINC000568804509 385059285 /nfs/dbraw/zinc/05/92/85/385059285.db2.gz ADBSVGAGNZHNHC-XQQFMLRXSA-N 0 0 243.366 3.600 20 0 BHADRN COC[C@H](C)CNc1cccc(C2CCC2)c1 ZINC000568815690 326377910 /nfs/dbraw/zinc/37/79/10/326377910.db2.gz YUUZMXZHEUSBDM-GFCCVEGCSA-N 0 0 233.355 3.649 20 0 BHADRN COC[C@@H](C)CNc1cccc(C2CCC2)c1 ZINC000568815691 326377914 /nfs/dbraw/zinc/37/79/14/326377914.db2.gz YUUZMXZHEUSBDM-LBPRGKRZSA-N 0 0 233.355 3.649 20 0 BHADRN Cc1ccc(NCC2(C)CC2)cc1-c1ncco1 ZINC000568823826 326378316 /nfs/dbraw/zinc/37/83/16/326378316.db2.gz OELYCAXZSKEWPA-UHFFFAOYSA-N 0 0 242.322 3.862 20 0 BHADRN Cc1ccc(-c2noc(-c3ccccc3C)n2)o1 ZINC000568833874 326378674 /nfs/dbraw/zinc/37/86/74/326378674.db2.gz WQYBPXMSIOASDS-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN CCc1nocc1CSc1cccc(C)c1 ZINC000568837633 326378741 /nfs/dbraw/zinc/37/87/41/326378741.db2.gz LQHZJPDRVAXRQD-UHFFFAOYSA-N 0 0 233.336 3.838 20 0 BHADRN CC1(C)CC[C@H](SC[C@@H]2CCCOC2)C1 ZINC000568856615 326379304 /nfs/dbraw/zinc/37/93/04/326379304.db2.gz FPIJQYLHVWVTSY-NEPJUHHUSA-N 0 0 228.401 3.725 20 0 BHADRN CC1(C)CC[C@@H](SC[C@H]2CCCOC2)C1 ZINC000568856616 326379305 /nfs/dbraw/zinc/37/93/05/326379305.db2.gz FPIJQYLHVWVTSY-NWDGAFQWSA-N 0 0 228.401 3.725 20 0 BHADRN CC1(C)CC[C@H](SC[C@H]2CCCOC2)C1 ZINC000568856617 326379516 /nfs/dbraw/zinc/37/95/16/326379516.db2.gz FPIJQYLHVWVTSY-RYUDHWBXSA-N 0 0 228.401 3.725 20 0 BHADRN CC1(C)CC[C@@H](SC[C@@H]2CCCOC2)C1 ZINC000568856618 326379518 /nfs/dbraw/zinc/37/95/18/326379518.db2.gz FPIJQYLHVWVTSY-VXGBXAGGSA-N 0 0 228.401 3.725 20 0 BHADRN CCCC1(CNC(=O)C2CC3(CCC3)C2)CCC1 ZINC000568867855 326380302 /nfs/dbraw/zinc/38/03/02/326380302.db2.gz UWAYGPJBAMYJBE-UHFFFAOYSA-N 0 0 249.398 3.653 20 0 BHADRN CC(C)CCCSCCCc1cncn1C ZINC000568883435 326381292 /nfs/dbraw/zinc/38/12/92/326381292.db2.gz IREMAPITADYREL-UHFFFAOYSA-N 0 0 240.416 3.522 20 0 BHADRN CCc1ccc(NC(=O)C2CC3(CCC3)C2)cc1 ZINC000568884530 326381228 /nfs/dbraw/zinc/38/12/28/326381228.db2.gz GQMWLNGUNLYFJA-UHFFFAOYSA-N 0 0 243.350 3.768 20 0 BHADRN Cc1cc(F)ccc1NC(=O)C1CC2(CCC2)C1 ZINC000568887111 326381574 /nfs/dbraw/zinc/38/15/74/326381574.db2.gz WIQMRUCDZSBJII-UHFFFAOYSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1C ZINC000568887843 326381472 /nfs/dbraw/zinc/38/14/72/326381472.db2.gz MBMSLOFKPCGNPO-UONOGXRCSA-N 0 0 243.350 3.678 20 0 BHADRN CC(C)=CCNc1ccccc1OCC(F)F ZINC000568913944 326382627 /nfs/dbraw/zinc/38/26/27/326382627.db2.gz UQBNGIKTFSHMBK-UHFFFAOYSA-N 0 0 241.281 3.709 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C[C@@H]1C[C@H]1C ZINC000568922746 326382611 /nfs/dbraw/zinc/38/26/11/326382611.db2.gz AELVTIVJKQYZLP-AGIUHOORSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C[C@@H]1C[C@@H]1C ZINC000568922747 326382477 /nfs/dbraw/zinc/38/24/77/326382477.db2.gz AELVTIVJKQYZLP-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C[C@H]1C[C@H]1C ZINC000568922749 326382616 /nfs/dbraw/zinc/38/26/16/326382616.db2.gz AELVTIVJKQYZLP-UPJWGTAASA-N 0 0 225.376 3.508 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C[C@H]1C[C@@H]1C ZINC000568922750 326382662 /nfs/dbraw/zinc/38/26/62/326382662.db2.gz AELVTIVJKQYZLP-XQQFMLRXSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H]1C[C@H]1CC(=O)N1CCCC2(CCCCC2)C1 ZINC000568922895 326382570 /nfs/dbraw/zinc/38/25/70/326382570.db2.gz BUTWCKOVZHOIQT-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1C[C@H]1CC(=O)N1CCCC2(CCCCC2)C1 ZINC000568922896 326382545 /nfs/dbraw/zinc/38/25/45/326382545.db2.gz BUTWCKOVZHOIQT-KGLIPLIRSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H]1C[C@@H]1CC(=O)N1CCCC2(CCCCC2)C1 ZINC000568922898 326382636 /nfs/dbraw/zinc/38/26/36/326382636.db2.gz BUTWCKOVZHOIQT-UONOGXRCSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1C[C@@H]1CC(=O)N1CCCC2(CCCCC2)C1 ZINC000568922899 326382543 /nfs/dbraw/zinc/38/25/43/326382543.db2.gz BUTWCKOVZHOIQT-ZIAGYGMSSA-N 0 0 249.398 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CC1=C[C@H](C)C[N@H+](Cc2ccc3occc3c2)C1 ZINC000571090876 323135510 /nfs/dbraw/zinc/13/55/10/323135510.db2.gz KPSVWWKXTYRSHK-LBPRGKRZSA-N 0 0 241.334 3.831 20 0 BHADRN CC(C)[C@H]1C[C@@H]1c1nc(CC2CCCC2)no1 ZINC000571095450 323135296 /nfs/dbraw/zinc/13/52/96/323135296.db2.gz JVYPTGVLVBWLGE-NEPJUHHUSA-N 0 0 234.343 3.562 20 0 BHADRN CC(C)[C@@H]1C[C@H]1c1nc(CC2CCCC2)no1 ZINC000571095452 323135251 /nfs/dbraw/zinc/13/52/51/323135251.db2.gz JVYPTGVLVBWLGE-NWDGAFQWSA-N 0 0 234.343 3.562 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1c1nc(CC2CCCC2)no1 ZINC000571095453 323135289 /nfs/dbraw/zinc/13/52/89/323135289.db2.gz JVYPTGVLVBWLGE-RYUDHWBXSA-N 0 0 234.343 3.562 20 0 BHADRN CC(C)[C@H]1C[C@H]1c1nc(CC2CCCC2)no1 ZINC000571095455 323135300 /nfs/dbraw/zinc/13/53/00/323135300.db2.gz JVYPTGVLVBWLGE-VXGBXAGGSA-N 0 0 234.343 3.562 20 0 BHADRN CC(C)CC1(C)CCN(C(=O)C2CC=CC2)CC1 ZINC000571097091 323135323 /nfs/dbraw/zinc/13/53/23/323135323.db2.gz GCHZFRFBBLRKBW-UHFFFAOYSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)=CCSCCCOCC(F)(F)F ZINC000571120391 323136237 /nfs/dbraw/zinc/13/62/37/323136237.db2.gz LFKKXXVDBRZGRE-UHFFFAOYSA-N 0 0 242.306 3.655 20 0 BHADRN CCc1cc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC000571153227 323136765 /nfs/dbraw/zinc/13/67/65/323136765.db2.gz QGJGKORJPBYKCV-VIKVFOODSA-N 0 0 247.382 3.925 20 0 BHADRN CC1(C)CC(CC(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000571167077 323137240 /nfs/dbraw/zinc/13/72/40/323137240.db2.gz LHMSQEWPBOJGBC-KBPBESRZSA-N 0 0 249.398 3.604 20 0 BHADRN CN(C(=O)CCC1CCCCC1)C(C)(C)C ZINC000571168018 323137371 /nfs/dbraw/zinc/13/73/71/323137371.db2.gz HOIUOWVBKYMILH-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN C[C@@H](NC(=O)[C@@H]1CC12CCCCC2)C(C)(C)C ZINC000571171109 323137407 /nfs/dbraw/zinc/13/74/07/323137407.db2.gz SRTMDJHLLLZCKR-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](NC(=O)[C@H]1CC12CCCCC2)C(C)(C)C ZINC000571171110 323137413 /nfs/dbraw/zinc/13/74/13/323137413.db2.gz SRTMDJHLLLZCKR-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN 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350869223 /nfs/dbraw/zinc/86/92/23/350869223.db2.gz CYCBGVDIRFXGCC-UHFFFAOYSA-N 0 0 234.343 3.634 20 0 BHADRN CC/C=C/CCn1ccc2oc(CC)cc2c1=O ZINC000571208803 323138523 /nfs/dbraw/zinc/13/85/23/323138523.db2.gz UUDFIGSOQDIEBZ-AATRIKPKSA-N 0 0 245.322 3.513 20 0 BHADRN CC/C=C\CCn1ccc2oc(CC)cc2c1=O ZINC000571208804 323138590 /nfs/dbraw/zinc/13/85/90/323138590.db2.gz UUDFIGSOQDIEBZ-WAYWQWQTSA-N 0 0 245.322 3.513 20 0 BHADRN c1cc(OC2CCCC2)cc(N2CCCC2)c1 ZINC000571211643 323138567 /nfs/dbraw/zinc/13/85/67/323138567.db2.gz KLYCVZBJORAQDD-UHFFFAOYSA-N 0 0 231.339 3.608 20 0 BHADRN CN(C(=O)CC(C)(C)c1ccccc1)C(C)(C)C ZINC000571212562 323138584 /nfs/dbraw/zinc/13/85/84/323138584.db2.gz QZPUFFTUSOESOQ-UHFFFAOYSA-N 0 0 247.382 3.611 20 0 BHADRN COC1CC(Sc2cc(Cl)ccc2F)C1 ZINC000571226371 323138923 /nfs/dbraw/zinc/13/89/23/323138923.db2.gz OACXLUSLJNYWAY-UHFFFAOYSA-N 0 0 246.734 3.749 20 0 BHADRN C[C@H](C1CC1)N(C)C(=O)CCCCC(C)(C)C ZINC000571233662 323139036 /nfs/dbraw/zinc/13/90/36/323139036.db2.gz 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BHADRN CC(C)=CCNc1cc(F)ccc1OC(F)F ZINC000571272357 323140068 /nfs/dbraw/zinc/14/00/68/323140068.db2.gz CDCMGUIBHDSQGH-UHFFFAOYSA-N 0 0 245.244 3.805 20 0 BHADRN CC[C@H](CC(F)(F)F)c1nc(C(C)C)no1 ZINC000571276390 323140064 /nfs/dbraw/zinc/14/00/64/323140064.db2.gz PTCMHKKFCTXGKB-SSDOTTSWSA-N 0 0 236.237 3.639 20 0 BHADRN CC[C@@H](CC(F)(F)F)c1nc(C(C)C)no1 ZINC000571276391 323140138 /nfs/dbraw/zinc/14/01/38/323140138.db2.gz PTCMHKKFCTXGKB-ZETCQYMHSA-N 0 0 236.237 3.639 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000571286930 323140373 /nfs/dbraw/zinc/14/03/73/323140373.db2.gz OACONPVFQUDMKR-BZPMIXESSA-N 0 0 243.366 3.600 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000571286931 323140330 /nfs/dbraw/zinc/14/03/30/323140330.db2.gz OACONPVFQUDMKR-DYEKYZERSA-N 0 0 243.366 3.600 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC000571286932 323140361 /nfs/dbraw/zinc/14/03/61/323140361.db2.gz OACONPVFQUDMKR-OBJOEFQTSA-N 0 0 243.366 3.600 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000571286933 323140327 /nfs/dbraw/zinc/14/03/27/323140327.db2.gz OACONPVFQUDMKR-SCRDCRAPSA-N 0 0 243.366 3.600 20 0 BHADRN C[C@@H](NC(=O)C1CC2(CCC2)C1)C1CCCCC1 ZINC000571287680 323140335 /nfs/dbraw/zinc/14/03/35/323140335.db2.gz UOOHYAPKHHGYEG-GFCCVEGCSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H](NC(=O)C1CC2(CCC2)C1)C1CCCCC1 ZINC000571287682 323140332 /nfs/dbraw/zinc/14/03/32/323140332.db2.gz UOOHYAPKHHGYEG-LBPRGKRZSA-N 0 0 249.398 3.652 20 0 BHADRN CSc1ccc(OCCCCCF)cc1 ZINC000571304837 323140949 /nfs/dbraw/zinc/14/09/49/323140949.db2.gz CZFBLSQLXXIQKB-UHFFFAOYSA-N 0 0 228.332 3.927 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)NC(C)(C)C2CC2)C1 ZINC000571306144 323140972 /nfs/dbraw/zinc/14/09/72/323140972.db2.gz YSDDLWDMKXGFQY-NEPJUHHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@@H](CC(=O)NC(C)(C)C2CC2)C1 ZINC000571306145 323141002 /nfs/dbraw/zinc/14/10/02/323141002.db2.gz YSDDLWDMKXGFQY-NWDGAFQWSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CCC[C@H](CC(=O)NC(C)(C)C2CC2)C1 ZINC000571306146 323140961 /nfs/dbraw/zinc/14/09/61/323140961.db2.gz YSDDLWDMKXGFQY-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)NC(C)(C)C2CC2)C1 ZINC000571306147 323141047 /nfs/dbraw/zinc/14/10/47/323141047.db2.gz YSDDLWDMKXGFQY-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1cc(NC(=O)CC2(C)CCCC2)ccc1O ZINC000571327637 323141578 /nfs/dbraw/zinc/14/15/78/323141578.db2.gz FDXNLLJJXRFJHQ-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CCCC1(C(=O)N[C@H](C)C(C)(C)C)CCC1 ZINC000571330385 323141597 /nfs/dbraw/zinc/14/15/97/323141597.db2.gz AWKRHBAMFKFTKU-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(-c2cccc(C3CC3)c2)n1 ZINC000571344208 323142103 /nfs/dbraw/zinc/14/21/03/323142103.db2.gz PKMIDUNASYDIEU-NOZJJQNGSA-N 0 0 240.306 3.737 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(-c2cccc(C3CC3)c2)n1 ZINC000571344209 323142189 /nfs/dbraw/zinc/14/21/89/323142189.db2.gz PKMIDUNASYDIEU-RNCFNFMXSA-N 0 0 240.306 3.737 20 0 BHADRN C[C@H]1C[C@H]1c1noc(-c2cccc(C3CC3)c2)n1 ZINC000571344210 323142105 /nfs/dbraw/zinc/14/21/05/323142105.db2.gz PKMIDUNASYDIEU-TVQRCGJNSA-N 0 0 240.306 3.737 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(-c2cccc(C3CC3)c2)n1 ZINC000571344211 323142187 /nfs/dbraw/zinc/14/21/87/323142187.db2.gz PKMIDUNASYDIEU-ZANVPECISA-N 0 0 240.306 3.737 20 0 BHADRN COc1cc(F)c(F)cc1NCC1CCCC1 ZINC000571368181 323142896 /nfs/dbraw/zinc/14/28/96/323142896.db2.gz QMQXVKQRLSPPCT-UHFFFAOYSA-N 0 0 241.281 3.576 20 0 BHADRN CCC(C)(C)CNC(=O)C[C@H]1CCCC[C@H]1C ZINC000571380458 323143126 /nfs/dbraw/zinc/14/31/26/323143126.db2.gz XMGCJGKOSHZTKA-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(C)CNC(=O)C[C@@H]1CCCC[C@H]1C ZINC000571380459 323143148 /nfs/dbraw/zinc/14/31/48/323143148.db2.gz XMGCJGKOSHZTKA-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(C)CNC(=O)C[C@H]1CCCC[C@@H]1C ZINC000571380460 323143183 /nfs/dbraw/zinc/14/31/83/323143183.db2.gz XMGCJGKOSHZTKA-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN 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CC1=C(C)C[C@H](C(=O)N2C[C@H](C)CC2(C)C)CC1 ZINC000572724293 326407149 /nfs/dbraw/zinc/40/71/49/326407149.db2.gz KEFNUNUGAYAUGC-BXUZGUMPSA-N 0 0 249.398 3.770 20 0 BHADRN CC1=C(C)C[C@@H](C(=O)N2C[C@@H](C)CC2(C)C)CC1 ZINC000572724294 388370518 /nfs/dbraw/zinc/37/05/18/388370518.db2.gz KEFNUNUGAYAUGC-FZMZJTMJSA-N 0 0 249.398 3.770 20 0 BHADRN CC1=C(C)C[C@@H](C(=O)N2C[C@H](C)CC2(C)C)CC1 ZINC000572724295 388370889 /nfs/dbraw/zinc/37/08/89/388370889.db2.gz KEFNUNUGAYAUGC-RISCZKNCSA-N 0 0 249.398 3.770 20 0 BHADRN CC1=C(C)C[C@H](C(=O)N2C[C@@H](C)CC2(C)C)CC1 ZINC000572724296 323037024 /nfs/dbraw/zinc/03/70/24/323037024.db2.gz KEFNUNUGAYAUGC-SMDDNHRTSA-N 0 0 249.398 3.770 20 0 BHADRN CCN(C[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000572740891 388372278 /nfs/dbraw/zinc/37/22/78/388372278.db2.gz GHDPMEUVYYFRGH-GFCCVEGCSA-N 0 0 239.309 3.948 20 0 BHADRN CCN(C[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000572740892 388371944 /nfs/dbraw/zinc/37/19/44/388371944.db2.gz GHDPMEUVYYFRGH-LBPRGKRZSA-N 0 0 239.309 3.948 20 0 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/nfs/dbraw/zinc/41/30/49/326413049.db2.gz VKPKMLONUJXFTI-CYBMUJFWSA-N 0 0 248.366 3.790 20 0 BHADRN CC(C)(C)c1ccccc1OC[C@H]1CCCOC1 ZINC000572826455 388378961 /nfs/dbraw/zinc/37/89/61/388378961.db2.gz VKPKMLONUJXFTI-ZDUSSCGKSA-N 0 0 248.366 3.790 20 0 BHADRN CN(C(=O)CC1(C)CCCCC1)C(C)(C)C ZINC000572843982 326414477 /nfs/dbraw/zinc/41/44/77/326414477.db2.gz VGRJKGVMSLFUSA-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CCc1nocc1CSc1ccccc1 ZINC000572857232 326415556 /nfs/dbraw/zinc/41/55/56/326415556.db2.gz QYBWVTCXGWECRX-UHFFFAOYSA-N 0 0 219.309 3.529 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c(F)c1 ZINC000572859575 364772623 /nfs/dbraw/zinc/77/26/23/364772623.db2.gz GWRVKPYGHZVXBB-VXGBXAGGSA-N 0 0 247.313 3.675 20 0 BHADRN CC(C)=CCOc1ccccc1OC(F)F ZINC000572864151 398202920 /nfs/dbraw/zinc/20/29/20/398202920.db2.gz VYYFHISYWCHWFZ-UHFFFAOYSA-N 0 0 228.238 3.633 20 0 BHADRN O=C(Nc1ccccc1Cl)C1CC2(CCC2)C1 ZINC000572882688 388384849 /nfs/dbraw/zinc/38/48/49/388384849.db2.gz 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DNBLAFTXJHJSDC-UHFFFAOYSA-N 0 0 237.391 3.875 20 0 BHADRN Cc1nocc1CSC1CCCCC1 ZINC000572900984 388386954 /nfs/dbraw/zinc/38/69/54/388386954.db2.gz TZORJTWXUFUWOX-UHFFFAOYSA-N 0 0 211.330 3.549 20 0 BHADRN CC(C)(C)CCCNC(=O)C[C@@H]1C=CCCC1 ZINC000572911789 388387849 /nfs/dbraw/zinc/38/78/49/388387849.db2.gz ONAREINPDSUVEO-CYBMUJFWSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)(C)CCCNC(=O)C[C@H]1C=CCCC1 ZINC000572911790 388388145 /nfs/dbraw/zinc/38/81/45/388388145.db2.gz ONAREINPDSUVEO-ZDUSSCGKSA-N 0 0 237.387 3.675 20 0 BHADRN C[C@@H]1CCCC[C@H]1NC(=O)CC1(C)CCCC1 ZINC000572913923 388388163 /nfs/dbraw/zinc/38/81/63/388388163.db2.gz XJKUYUYOTXZUKG-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CCCC[C@@H]1NC(=O)CC1(C)CCCC1 ZINC000572913924 388387779 /nfs/dbraw/zinc/38/77/79/388387779.db2.gz XJKUYUYOTXZUKG-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCCC[C@H]1NC(=O)CC1(C)CCCC1 ZINC000572913925 388388030 /nfs/dbraw/zinc/38/80/30/388388030.db2.gz XJKUYUYOTXZUKG-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCCC[C@@H]1NC(=O)CC1(C)CCCC1 ZINC000572913926 388388091 /nfs/dbraw/zinc/38/80/91/388388091.db2.gz XJKUYUYOTXZUKG-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN Cc1cc(C(=O)NCC2(C)CCCCC2)oc1C ZINC000572926408 326419207 /nfs/dbraw/zinc/41/92/07/326419207.db2.gz XMVFYGBJOUJIQH-UHFFFAOYSA-N 0 0 249.354 3.597 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)CC1(C)CCCC1 ZINC000572928907 388388851 /nfs/dbraw/zinc/38/88/51/388388851.db2.gz RWQHXHQVQWOCEC-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)CC1(C)CCCC1 ZINC000572928908 388389288 /nfs/dbraw/zinc/38/92/88/388389288.db2.gz RWQHXHQVQWOCEC-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CC[C@@H](NC(=O)c1cc(C)c(C)o1)C1CCCC1 ZINC000572957297 323035972 /nfs/dbraw/zinc/03/59/72/323035972.db2.gz ITFNDVOHIPVTKG-CYBMUJFWSA-N 0 0 249.354 3.595 20 0 BHADRN CC[C@H](NC(=O)c1cc(C)c(C)o1)C1CCCC1 ZINC000572957298 323036007 /nfs/dbraw/zinc/03/60/07/323036007.db2.gz ITFNDVOHIPVTKG-ZDUSSCGKSA-N 0 0 249.354 3.595 20 0 BHADRN CCCCSCCC(=O)N(CCC)C(C)C ZINC000572971548 326421921 /nfs/dbraw/zinc/42/19/21/326421921.db2.gz FHQSKDBVHIPMOB-UHFFFAOYSA-N 0 0 245.432 3.557 20 0 BHADRN CCc1ccccc1N[C@H](C)c1ccncc1F ZINC000572979037 388402706 /nfs/dbraw/zinc/40/27/06/388402706.db2.gz PRHPAWJFRIVBBW-LLVKDONJSA-N 0 0 244.313 3.956 20 0 BHADRN CCc1ccccc1N[C@@H](C)c1ccncc1F ZINC000572979038 326422686 /nfs/dbraw/zinc/42/26/86/326422686.db2.gz PRHPAWJFRIVBBW-NSHDSACASA-N 0 0 244.313 3.956 20 0 BHADRN C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1CF ZINC000572989187 388403926 /nfs/dbraw/zinc/40/39/26/388403926.db2.gz CUWFFPQQROCDQW-GWCFXTLKSA-N 0 0 241.737 3.835 20 0 BHADRN C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1CF ZINC000572989188 388403902 /nfs/dbraw/zinc/40/39/02/388403902.db2.gz CUWFFPQQROCDQW-GXFFZTMASA-N 0 0 241.737 3.835 20 0 BHADRN C[C@H](c1ccc(Cl)cc1)N1CCC[C@H]1CF ZINC000572989189 388403684 /nfs/dbraw/zinc/40/36/84/388403684.db2.gz CUWFFPQQROCDQW-MFKMUULPSA-N 0 0 241.737 3.835 20 0 BHADRN C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1CF ZINC000572989190 388403512 /nfs/dbraw/zinc/40/35/12/388403512.db2.gz CUWFFPQQROCDQW-ZWNOBZJWSA-N 0 0 241.737 3.835 20 0 BHADRN CCc1nocc1CSC1CCCCC1 ZINC000573020576 388407979 /nfs/dbraw/zinc/40/79/79/388407979.db2.gz PJZBBORYQJRPRT-UHFFFAOYSA-N 0 0 225.357 3.803 20 0 BHADRN CCCCCN1CC2(CC2)c2ccccc21 ZINC000573022747 388407601 /nfs/dbraw/zinc/40/76/01/388407601.db2.gz VFCHLTYTDWOBBJ-UHFFFAOYSA-N 0 0 215.340 3.728 20 0 BHADRN CCCNC(=O)c1coc2ccc(C(C)C)cc12 ZINC000573032669 326425747 /nfs/dbraw/zinc/42/57/47/326425747.db2.gz ZLUYDOYECRWPCV-UHFFFAOYSA-N 0 0 245.322 3.696 20 0 BHADRN CCCC[C@@H](CC)C(=O)NCCC1(F)CCC1 ZINC000573036995 326425969 /nfs/dbraw/zinc/42/59/69/326425969.db2.gz HUULMQNBMALQET-GFCCVEGCSA-N 0 0 243.366 3.601 20 0 BHADRN CCCC[C@H](CC)C(=O)NCCC1(F)CCC1 ZINC000573036996 388409849 /nfs/dbraw/zinc/40/98/49/388409849.db2.gz HUULMQNBMALQET-LBPRGKRZSA-N 0 0 243.366 3.601 20 0 BHADRN CCC1(c2noc([C@H]3CC3(C)C)n2)CCCC1 ZINC000573056416 326427294 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BHADRN Cc1nc(S[C@@H]2CCC(C)(C)C2)oc1C ZINC000573793629 364916753 /nfs/dbraw/zinc/91/67/53/364916753.db2.gz FZPZLDUPNLPCAP-SNVBAGLBSA-N 0 0 225.357 3.962 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1F ZINC000573806893 364920827 /nfs/dbraw/zinc/92/08/27/364920827.db2.gz RSZZJTYUZMQTLZ-NWDGAFQWSA-N 0 0 247.313 3.509 20 0 BHADRN CCc1nocc1CSCC1CC(F)(F)C1 ZINC000573815638 364924405 /nfs/dbraw/zinc/92/44/05/364924405.db2.gz SUBFRRQALSEIAY-UHFFFAOYSA-N 0 0 247.310 3.516 20 0 BHADRN Cc1ccnc(N2CC[C@H](C)[C@H](C)C2)c1Cl ZINC000573827219 364924882 /nfs/dbraw/zinc/92/48/82/364924882.db2.gz RWEPRYNVUQSEEU-GXSJLCMTSA-N 0 0 238.762 3.526 20 0 BHADRN Cc1ccnc(N2CC[C@@H](C)[C@@H](C)C2)c1Cl ZINC000573827224 364925816 /nfs/dbraw/zinc/92/58/16/364925816.db2.gz RWEPRYNVUQSEEU-KOLCDFICSA-N 0 0 238.762 3.526 20 0 BHADRN Cc1ccnc(N2CC[C@@H](C)[C@H](C)C2)c1Cl ZINC000573827225 364925629 /nfs/dbraw/zinc/92/56/29/364925629.db2.gz RWEPRYNVUQSEEU-MWLCHTKSSA-N 0 0 238.762 3.526 20 0 BHADRN 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365225250 /nfs/dbraw/zinc/22/52/50/365225250.db2.gz QPCARPXWSUMPHP-VHSXEESVSA-N 0 0 224.348 3.808 20 0 BHADRN CC[C@@H](C)Cc1nc([C@H](C)C(C)(C)C)no1 ZINC000575161342 365224952 /nfs/dbraw/zinc/22/49/52/365224952.db2.gz QPCARPXWSUMPHP-ZJUUUORDSA-N 0 0 224.348 3.808 20 0 BHADRN CCC(CC)Nc1cnn(C)c1-c1ccccc1 ZINC000575163978 365225173 /nfs/dbraw/zinc/22/51/73/365225173.db2.gz QIMPAGNXRSYIIT-UHFFFAOYSA-N 0 0 243.354 3.688 20 0 BHADRN CCCN(CC)c1ncc(C(C)C)s1 ZINC000575171935 365227247 /nfs/dbraw/zinc/22/72/47/365227247.db2.gz OXUYCWSFXHKEJK-UHFFFAOYSA-N 0 0 212.362 3.503 20 0 BHADRN CC1CCN(c2nccc3cc(F)ccc32)CC1 ZINC000575177263 346480453 /nfs/dbraw/zinc/48/04/53/346480453.db2.gz XZYIOBVTWADIRZ-UHFFFAOYSA-N 0 0 244.313 3.610 20 0 BHADRN CC1=C(C)C[C@H](C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)CC1 ZINC000575182563 365231771 /nfs/dbraw/zinc/23/17/71/365231771.db2.gz FXXCSALFTHEQCN-BYNSBNAKSA-N 0 0 249.398 3.626 20 0 BHADRN CC1=C(C)C[C@H](C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)CC1 ZINC000575182564 365231282 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/nfs/dbraw/zinc/04/48/46/358044846.db2.gz RLEJGTKYGDTXBX-PSASIEDQSA-N 0 0 248.713 3.589 20 0 BHADRN C[C@@H]1C[C@H]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000584536159 358044821 /nfs/dbraw/zinc/04/48/21/358044821.db2.gz RLEJGTKYGDTXBX-SCZZXKLOSA-N 0 0 248.713 3.589 20 0 BHADRN C[C@H]1C[C@@H]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000584536160 358044961 /nfs/dbraw/zinc/04/49/61/358044961.db2.gz RLEJGTKYGDTXBX-WCBMZHEXSA-N 0 0 248.713 3.589 20 0 BHADRN C[C@H]1C[C@H]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000584536161 358044993 /nfs/dbraw/zinc/04/49/93/358044993.db2.gz RLEJGTKYGDTXBX-WPRPVWTQSA-N 0 0 248.713 3.589 20 0 BHADRN CC[C@@H](C)CCC(=O)Nc1cc(F)ccc1F ZINC000584546048 358046805 /nfs/dbraw/zinc/04/68/05/358046805.db2.gz JACQTZYQZZVICL-SECBINFHSA-N 0 0 241.281 3.730 20 0 BHADRN CC[C@H](C)CCC(=O)Nc1cc(F)ccc1F ZINC000584546049 358046868 /nfs/dbraw/zinc/04/68/68/358046868.db2.gz JACQTZYQZZVICL-VIFPVBQESA-N 0 0 241.281 3.730 20 0 BHADRN C[C@@H]1C[C@H]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000584558159 358056321 /nfs/dbraw/zinc/05/63/21/358056321.db2.gz CMMWOLIRLWWGCT-NEPJUHHUSA-N 0 0 245.366 3.969 20 0 BHADRN C[C@H]1C[C@@H]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000584558160 491068734 /nfs/dbraw/zinc/06/87/34/491068734.db2.gz CMMWOLIRLWWGCT-NWDGAFQWSA-N 0 0 245.366 3.969 20 0 BHADRN C[C@H]1C[C@H]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000584558161 491068752 /nfs/dbraw/zinc/06/87/52/491068752.db2.gz CMMWOLIRLWWGCT-RYUDHWBXSA-N 0 0 245.366 3.969 20 0 BHADRN C[C@@H]1C[C@@H]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000584558162 491068743 /nfs/dbraw/zinc/06/87/43/491068743.db2.gz CMMWOLIRLWWGCT-VXGBXAGGSA-N 0 0 245.366 3.969 20 0 BHADRN Cc1cc(N2CCCC2)ccc1NCC1(C)CC1 ZINC000584565738 358060307 /nfs/dbraw/zinc/06/03/07/358060307.db2.gz VANCHAJIRRAHJE-UHFFFAOYSA-N 0 0 244.382 3.807 20 0 BHADRN C=C(c1ccccc1)c1ccc(NC(C)=O)cc1 ZINC000584591164 358249632 /nfs/dbraw/zinc/24/96/32/358249632.db2.gz MQMNNSHTPREWRL-UHFFFAOYSA-N 0 0 237.302 3.707 20 0 BHADRN Cc1ccc(N)cc1-c1ccc2[nH]ccc2c1 ZINC000584592379 358250526 /nfs/dbraw/zinc/25/05/26/358250526.db2.gz BLSHDRVPVAPKAB-UHFFFAOYSA-N 0 0 222.291 3.726 20 0 BHADRN COc1cccc(CC2CCCCC2)c1OC ZINC000584593109 358251055 /nfs/dbraw/zinc/25/10/55/358251055.db2.gz FRSHNRRLNQWNEC-UHFFFAOYSA-N 0 0 234.339 3.827 20 0 BHADRN COC(=O)c1cccc(Nc2cccc(C)c2)c1 ZINC000584597768 358255053 /nfs/dbraw/zinc/25/50/53/358255053.db2.gz QZDHPBQHTXJSJC-UHFFFAOYSA-N 0 0 241.290 3.525 20 0 BHADRN COC(=O)c1ccc(Nc2cccc(C)c2)cc1 ZINC000584598381 358255928 /nfs/dbraw/zinc/25/59/28/358255928.db2.gz STQBSXPHGPNNEM-UHFFFAOYSA-N 0 0 241.290 3.525 20 0 BHADRN Clc1ccc(-c2cc3ccccc3nn2)cc1 ZINC000584601135 358257668 /nfs/dbraw/zinc/25/76/68/358257668.db2.gz QKNYQLBXAHDSEG-UHFFFAOYSA-N 0 0 240.693 3.950 20 0 BHADRN CC(=O)c1ccc(OC(C)C)c(C(F)(F)F)c1 ZINC000584603974 358262332 /nfs/dbraw/zinc/26/23/32/358262332.db2.gz YNZSGAXJJWDQJL-UHFFFAOYSA-N 0 0 246.228 3.695 20 0 BHADRN CCOC(=N)c1cccc(-c2ccccc2)c1 ZINC000584611481 358275696 /nfs/dbraw/zinc/27/56/96/358275696.db2.gz CHRCKMYMCUPSNN-UHFFFAOYSA-N 0 0 225.291 3.715 20 0 BHADRN Nc1ccc2c(ccn2-c2ccc(Cl)cc2)c1 ZINC000584618642 358284710 /nfs/dbraw/zinc/28/47/10/358284710.db2.gz NIHKPBOFPJBFIU-UHFFFAOYSA-N 0 0 242.709 3.866 20 0 BHADRN Fc1cc(F)c(F)c(OC2CCCCC2)c1F ZINC000584629615 358299181 /nfs/dbraw/zinc/29/91/81/358299181.db2.gz KIADXEIZDFFPAQ-UHFFFAOYSA-N 0 0 248.219 3.955 20 0 BHADRN Oc1cccc(-c2cc(Cl)nc(Cl)c2)c1 ZINC000584630157 358299518 /nfs/dbraw/zinc/29/95/18/358299518.db2.gz NMRSYIRHUJVHGO-UHFFFAOYSA-N 0 0 240.089 3.761 20 0 BHADRN CC(C)(C)CNc1cncc(C(F)(F)F)c1 ZINC000584633585 358119291 /nfs/dbraw/zinc/11/92/91/358119291.db2.gz UNBMJQCOLZJOAD-UHFFFAOYSA-N 0 0 232.249 3.558 20 0 BHADRN Fc1cc(F)c(-c2ccc3c[nH]nc3c2)c(F)c1 ZINC000584639634 398083956 /nfs/dbraw/zinc/08/39/56/398083956.db2.gz ZIZHYHGATWWMMX-UHFFFAOYSA-N 0 0 248.207 3.647 20 0 BHADRN Cc1cccc2ccc(-c3cccnc3)nc12 ZINC000584642681 358327715 /nfs/dbraw/zinc/32/77/15/358327715.db2.gz KJDODCDLESCSQY-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN FC1(F)CCC(Oc2ncccc2Cl)CC1 ZINC000584642734 358327899 /nfs/dbraw/zinc/32/78/99/358327899.db2.gz RJKRCYBXXGQLFI-UHFFFAOYSA-N 0 0 247.672 3.692 20 0 BHADRN COc1ccc(F)c(-c2cc(F)cc(F)c2)c1 ZINC000584646242 358331197 /nfs/dbraw/zinc/33/11/97/358331197.db2.gz LQFIYNXPAAQRJO-UHFFFAOYSA-N 0 0 238.208 3.780 20 0 BHADRN Cc1cc(-c2c(F)cccc2F)cc(C)n1 ZINC000584647335 358128050 /nfs/dbraw/zinc/12/80/50/358128050.db2.gz XNAMTGQDEUBLPH-UHFFFAOYSA-N 0 0 219.234 3.644 20 0 BHADRN COc1ccc(Cl)cc1-c1ccnc(C)c1 ZINC000584649066 358304101 /nfs/dbraw/zinc/30/41/01/358304101.db2.gz UPOJBAIPQVERGB-UHFFFAOYSA-N 0 0 233.698 3.719 20 0 BHADRN CCc1nocc1CSCC1CCCC1 ZINC000584665670 358128221 /nfs/dbraw/zinc/12/82/21/358128221.db2.gz VQNWUYCQJHLJJR-UHFFFAOYSA-N 0 0 225.357 3.660 20 0 BHADRN Cc1nocc1CNc1ccccc1C(F)F ZINC000584665700 358128153 /nfs/dbraw/zinc/12/81/53/358128153.db2.gz WOZNYLWPEPSYEG-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN CCc1noc(-c2cc(C)c(Cl)cc2C)n1 ZINC000584679511 358147956 /nfs/dbraw/zinc/14/79/56/358147956.db2.gz KCVZFKSVIROKLK-UHFFFAOYSA-N 0 0 236.702 3.569 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)C1CCCC1 ZINC000584680381 358146426 /nfs/dbraw/zinc/14/64/26/358146426.db2.gz ASUBFHSJBJJXLE-UHFFFAOYSA-N 0 0 245.366 3.963 20 0 BHADRN Cc1cc(-c2noc(C(C)(C)C(C)C)n2)c(C)o1 ZINC000584680958 358149804 /nfs/dbraw/zinc/14/98/04/358149804.db2.gz CPHCQZCHZCQXCL-UHFFFAOYSA-N 0 0 248.326 3.880 20 0 BHADRN CC(C)[C@H]1C[C@H]1c1nc(CCC(C)(C)C)no1 ZINC000584681201 358150442 /nfs/dbraw/zinc/15/04/42/358150442.db2.gz PCIBCPHDRLRLLY-GHMZBOCLSA-N 0 0 236.359 3.808 20 0 BHADRN CC(C)[C@H]1C[C@@H]1c1nc(CCC(C)(C)C)no1 ZINC000584681202 358150590 /nfs/dbraw/zinc/15/05/90/358150590.db2.gz PCIBCPHDRLRLLY-MNOVXSKESA-N 0 0 236.359 3.808 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1c1nc(CCC(C)(C)C)no1 ZINC000584681203 358150294 /nfs/dbraw/zinc/15/02/94/358150294.db2.gz PCIBCPHDRLRLLY-QWRGUYRKSA-N 0 0 236.359 3.808 20 0 BHADRN CC(C)[C@@H]1C[C@H]1c1nc(CCC(C)(C)C)no1 ZINC000584681204 358150471 /nfs/dbraw/zinc/15/04/71/358150471.db2.gz PCIBCPHDRLRLLY-WDEREUQCSA-N 0 0 236.359 3.808 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CC)[C@H](C)C(C)C ZINC000584682341 358150747 /nfs/dbraw/zinc/15/07/47/358150747.db2.gz PYQUMIPGHGQWCQ-CHWSQXEVSA-N 0 0 227.392 3.706 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CC)[C@@H](C)C(C)C ZINC000584682342 358150625 /nfs/dbraw/zinc/15/06/25/358150625.db2.gz PYQUMIPGHGQWCQ-OLZOCXBDSA-N 0 0 227.392 3.706 20 0 BHADRN CCCC[C@H](C)C(=O)N(CC)[C@H](C)C(C)C ZINC000584682343 358150642 /nfs/dbraw/zinc/15/06/42/358150642.db2.gz PYQUMIPGHGQWCQ-QWHCGFSZSA-N 0 0 227.392 3.706 20 0 BHADRN CCCC[C@H](C)C(=O)N(CC)[C@@H](C)C(C)C ZINC000584682344 358150390 /nfs/dbraw/zinc/15/03/90/358150390.db2.gz PYQUMIPGHGQWCQ-STQMWFEESA-N 0 0 227.392 3.706 20 0 BHADRN CCN(CC(C)(C)C)c1ncnc2sccc21 ZINC000584702683 358155006 /nfs/dbraw/zinc/15/50/06/358155006.db2.gz VZTHFJLVZYTMLL-UHFFFAOYSA-N 0 0 249.383 3.564 20 0 BHADRN CCN(C(=O)[C@H]1CC[C@H](C)CC1)C1CCCC1 ZINC000584722153 358162875 /nfs/dbraw/zinc/16/28/75/358162875.db2.gz INBHWYZKZMZWGH-JOCQHMNTSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1nc(CSCCCC(C)C)co1 ZINC000584731597 358168278 /nfs/dbraw/zinc/16/82/78/358168278.db2.gz YZNMPPJQZNFLCY-UHFFFAOYSA-N 0 0 213.346 3.652 20 0 BHADRN CC(C)c1ccccc1OC[C@@H]1CCCOC1 ZINC000584736184 358164583 /nfs/dbraw/zinc/16/45/83/358164583.db2.gz XDYSNKRKLYJLEZ-CYBMUJFWSA-N 0 0 234.339 3.615 20 0 BHADRN CC(C)c1ccccc1OC[C@H]1CCCOC1 ZINC000584736185 358165030 /nfs/dbraw/zinc/16/50/30/358165030.db2.gz XDYSNKRKLYJLEZ-ZDUSSCGKSA-N 0 0 234.339 3.615 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NCCC(C)(C)C1CC1 ZINC000584742325 358165939 /nfs/dbraw/zinc/16/59/39/358165939.db2.gz JAAIUQBWODJQRC-NEPJUHHUSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NCCC(C)(C)C1CC1 ZINC000584742327 358165753 /nfs/dbraw/zinc/16/57/53/358165753.db2.gz JAAIUQBWODJQRC-NWDGAFQWSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NCCC(C)(C)C1CC1 ZINC000584742328 358165841 /nfs/dbraw/zinc/16/58/41/358165841.db2.gz JAAIUQBWODJQRC-RYUDHWBXSA-N 0 0 239.403 3.611 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)NCCC(C)(C)C1CC1 ZINC000584742330 358165909 /nfs/dbraw/zinc/16/59/09/358165909.db2.gz JAAIUQBWODJQRC-VXGBXAGGSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H](Cc1ccsc1)Nc1cnoc1C1CC1 ZINC000584762468 358170824 /nfs/dbraw/zinc/17/08/24/358170824.db2.gz GJSUNIWXVBYAPF-SECBINFHSA-N 0 0 248.351 3.657 20 0 BHADRN C[C@@H](Cc1ccsc1)Nc1cnoc1C1CC1 ZINC000584762469 358170777 /nfs/dbraw/zinc/17/07/77/358170777.db2.gz GJSUNIWXVBYAPF-VIFPVBQESA-N 0 0 248.351 3.657 20 0 BHADRN CCc1ccc(NC(=O)c2ccco2)cc1Cl ZINC000584770947 358178452 /nfs/dbraw/zinc/17/84/52/358178452.db2.gz MXRHTMNANQUYMC-UHFFFAOYSA-N 0 0 249.697 3.748 20 0 BHADRN CCC[C@H](CC)S[C@@H]1CCC[C@H]1OC ZINC000584788417 358179368 /nfs/dbraw/zinc/17/93/68/358179368.db2.gz XIEBGLJENMDQQS-QJPTWQEYSA-N 0 0 216.390 3.866 20 0 BHADRN CCC[C@H](CC)S[C@@H]1CCC[C@@H]1OC ZINC000584788418 358178859 /nfs/dbraw/zinc/17/88/59/358178859.db2.gz XIEBGLJENMDQQS-SDDRHHMPSA-N 0 0 216.390 3.866 20 0 BHADRN CCC[C@H](CC)S[C@H]1CCC[C@@H]1OC ZINC000584788419 358179023 /nfs/dbraw/zinc/17/90/23/358179023.db2.gz XIEBGLJENMDQQS-SRVKXCTJSA-N 0 0 216.390 3.866 20 0 BHADRN CCC[C@H](CC)S[C@H]1CCC[C@H]1OC ZINC000584788420 358178774 /nfs/dbraw/zinc/17/87/74/358178774.db2.gz XIEBGLJENMDQQS-TUAOUCFPSA-N 0 0 216.390 3.866 20 0 BHADRN CN(CC(C)(C)C)c1ccnc(C(F)(F)F)c1 ZINC000584797582 358182374 /nfs/dbraw/zinc/18/23/74/358182374.db2.gz PZGVNBQCXZTCLG-UHFFFAOYSA-N 0 0 246.276 3.583 20 0 BHADRN Cc1nc(CSc2cccc(Cl)c2)co1 ZINC000584817171 358189150 /nfs/dbraw/zinc/18/91/50/358189150.db2.gz DAZPZLFCDCBDAS-UHFFFAOYSA-N 0 0 239.727 3.929 20 0 BHADRN CCc1cccc(CNc2cnn(C(C)C)c2)c1 ZINC000584844390 358200643 /nfs/dbraw/zinc/20/06/43/358200643.db2.gz WVPLIMZZHAXKCQ-UHFFFAOYSA-N 0 0 243.354 3.639 20 0 BHADRN CSCCN(C)c1ccccc1C(C)C ZINC000584860989 358210322 /nfs/dbraw/zinc/21/03/22/358210322.db2.gz LWCIJYLSOIZZAB-UHFFFAOYSA-N 0 0 223.385 3.609 20 0 BHADRN CCC[C@@](C)(CC)c1nc(C(C)C)no1 ZINC000584864348 358207037 /nfs/dbraw/zinc/20/70/37/358207037.db2.gz PLBYZDXVLOZLOI-GFCCVEGCSA-N 0 0 210.321 3.661 20 0 BHADRN CCC[C@](C)(CC)c1nc(C(C)C)no1 ZINC000584864349 358207271 /nfs/dbraw/zinc/20/72/71/358207271.db2.gz PLBYZDXVLOZLOI-LBPRGKRZSA-N 0 0 210.321 3.661 20 0 BHADRN Cc1ncc(-c2ccc(C)c(F)c2)s1 ZINC000584881537 343082339 /nfs/dbraw/zinc/08/23/39/343082339.db2.gz VZUGWNAJBPUUFT-UHFFFAOYSA-N 0 0 207.273 3.566 20 0 BHADRN Cc1ccc(CSCCCCCF)nc1 ZINC000585729137 345982414 /nfs/dbraw/zinc/98/24/14/345982414.db2.gz VHVHAYLMSHDPON-UHFFFAOYSA-N 0 0 227.348 3.763 20 0 BHADRN Cc1ccnc(CSCCCCCF)c1 ZINC000585729238 345983021 /nfs/dbraw/zinc/98/30/21/345983021.db2.gz VGNKQFWSWXQSAC-UHFFFAOYSA-N 0 0 227.348 3.763 20 0 BHADRN OCCCCSCc1cccc2ccccc21 ZINC000585732012 345985826 /nfs/dbraw/zinc/98/58/26/345985826.db2.gz LPAVDJKQUINTFD-UHFFFAOYSA-N 0 0 246.375 3.846 20 0 BHADRN CSc1ccc(COc2ccc(C)nc2)cc1 ZINC000585745778 345983493 /nfs/dbraw/zinc/98/34/93/345983493.db2.gz KYGYHRBXEABXBG-UHFFFAOYSA-N 0 0 245.347 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Cc1cc(C)c2c(c1)N(C(=O)CC(C)C)CCC2 ZINC000589388353 346695558 /nfs/dbraw/zinc/69/55/58/346695558.db2.gz MEXIXIBGYNLSGG-UHFFFAOYSA-N 0 0 245.366 3.629 20 0 BHADRN Cc1cc(C)c2c(c1)N(C(=O)C(C)(C)C)CCC2 ZINC000589388818 346695295 /nfs/dbraw/zinc/69/52/95/346695295.db2.gz PQOJKTIAIVJOBW-UHFFFAOYSA-N 0 0 245.366 3.629 20 0 BHADRN CCCCC(=O)N1CCCc2c(C)cc(C)cc21 ZINC000589389351 346695488 /nfs/dbraw/zinc/69/54/88/346695488.db2.gz ZECYAOARUWHRIV-UHFFFAOYSA-N 0 0 245.366 3.773 20 0 BHADRN CSCc1cccc(NC(=O)C[C@H]2C[C@@H]2C)c1 ZINC000589405383 346697103 /nfs/dbraw/zinc/69/71/03/346697103.db2.gz JNKMVICHNGECGM-CMPLNLGQSA-N 0 0 249.379 3.534 20 0 BHADRN CSCc1cccc(NC(=O)C[C@@H]2C[C@@H]2C)c1 ZINC000589405388 346696992 /nfs/dbraw/zinc/69/69/92/346696992.db2.gz JNKMVICHNGECGM-JQWIXIFHSA-N 0 0 249.379 3.534 20 0 BHADRN CSCc1cccc(NC(=O)C[C@@H]2C[C@H]2C)c1 ZINC000589405391 346697189 /nfs/dbraw/zinc/69/71/89/346697189.db2.gz JNKMVICHNGECGM-PWSUYJOCSA-N 0 0 249.379 3.534 20 0 BHADRN 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CC[C@H](C)C(=O)N[C@H]1CCC[C@H]1CCC(C)C ZINC000590030272 346766549 /nfs/dbraw/zinc/76/65/49/346766549.db2.gz OXUPDRHHFLAVEP-IHRRRGAJSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C ZINC000590030273 346766608 /nfs/dbraw/zinc/76/66/08/346766608.db2.gz OXUPDRHHFLAVEP-MELADBBJSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](C)C(=O)N[C@H]1CCC[C@@H]1CCC(C)C ZINC000590030274 346766576 /nfs/dbraw/zinc/76/65/76/346766576.db2.gz OXUPDRHHFLAVEP-MJBXVCDLSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)CC1CC1 ZINC000590030715 346766351 /nfs/dbraw/zinc/76/63/51/346766351.db2.gz XVNBRLYUVQCFJA-KBPBESRZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CC1CC1 ZINC000590030716 346766617 /nfs/dbraw/zinc/76/66/17/346766617.db2.gz XVNBRLYUVQCFJA-KGLIPLIRSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CC1CC1 ZINC000590030717 346766474 /nfs/dbraw/zinc/76/64/74/346766474.db2.gz XVNBRLYUVQCFJA-UONOGXRCSA-N 0 0 237.387 3.508 20 0 BHADRN 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/nfs/dbraw/zinc/77/66/82/346776682.db2.gz VOXDDQOQGBHSPB-MCIONIFRSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)CCC ZINC000590123090 346776780 /nfs/dbraw/zinc/77/67/80/346776780.db2.gz VOXDDQOQGBHSPB-MGPQQGTHSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)CCC ZINC000590123091 346776788 /nfs/dbraw/zinc/77/67/88/346776788.db2.gz VOXDDQOQGBHSPB-MJBXVCDLSA-N 0 0 239.403 3.898 20 0 BHADRN c1ccc2c(c1)CC[C@@H]2SC[C@H]1CCCO1 ZINC000590126899 346778820 /nfs/dbraw/zinc/77/88/20/346778820.db2.gz NTDFWSYSDKQFHO-OCCSQVGLSA-N 0 0 234.364 3.586 20 0 BHADRN c1ccc2c(c1)CC[C@H]2SC[C@H]1CCCO1 ZINC000590126905 346778824 /nfs/dbraw/zinc/77/88/24/346778824.db2.gz NTDFWSYSDKQFHO-TZMCWYRMSA-N 0 0 234.364 3.586 20 0 BHADRN CCCCc1ccc(NC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000590127516 346778977 /nfs/dbraw/zinc/77/89/77/346778977.db2.gz MDCNEDDXCJILJN-BXUZGUMPSA-N 0 0 246.354 3.559 20 0 BHADRN CCCCc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000590127517 346779083 /nfs/dbraw/zinc/77/90/83/346779083.db2.gz MDCNEDDXCJILJN-FZMZJTMJSA-N 0 0 246.354 3.559 20 0 BHADRN CCCCc1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000590127518 346779113 /nfs/dbraw/zinc/77/91/13/346779113.db2.gz MDCNEDDXCJILJN-RISCZKNCSA-N 0 0 246.354 3.559 20 0 BHADRN CCCCc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000590127519 346778710 /nfs/dbraw/zinc/77/87/10/346778710.db2.gz MDCNEDDXCJILJN-SMDDNHRTSA-N 0 0 246.354 3.559 20 0 BHADRN C[C@H]1C[C@@H]1NC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000590127791 490684292 /nfs/dbraw/zinc/68/42/92/490684292.db2.gz ZXVKGFWQZDJHCD-GWCFXTLKSA-N 0 0 246.354 3.514 20 0 BHADRN C[C@H]1C[C@H]1NC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000590127793 346779130 /nfs/dbraw/zinc/77/91/30/346779130.db2.gz ZXVKGFWQZDJHCD-GXFFZTMASA-N 0 0 246.354 3.514 20 0 BHADRN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000590127795 490684444 /nfs/dbraw/zinc/68/44/44/490684444.db2.gz ZXVKGFWQZDJHCD-MFKMUULPSA-N 0 0 246.354 3.514 20 0 BHADRN C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000590127796 346778700 /nfs/dbraw/zinc/77/87/00/346778700.db2.gz ZXVKGFWQZDJHCD-ZWNOBZJWSA-N 0 0 246.354 3.514 20 0 BHADRN CCC(CC)SCCC1(OC)CCC1 ZINC000590128219 346779075 /nfs/dbraw/zinc/77/90/75/346779075.db2.gz IHVQVVACVXRASH-UHFFFAOYSA-N 0 0 216.390 3.867 20 0 BHADRN CCc1ccc(CSC[C@H](C)CC)nc1 ZINC000590128352 346776520 /nfs/dbraw/zinc/77/65/20/346776520.db2.gz IJFHHXAXHHBXBJ-LLVKDONJSA-N 0 0 223.385 3.923 20 0 BHADRN CCc1ccc(CSC[C@@H](C)CC)nc1 ZINC000590128355 346776751 /nfs/dbraw/zinc/77/67/51/346776751.db2.gz IJFHHXAXHHBXBJ-NSHDSACASA-N 0 0 223.385 3.923 20 0 BHADRN CC(C)=CCSCCC1CCOCC1 ZINC000590128549 346776374 /nfs/dbraw/zinc/77/63/74/346776374.db2.gz WDRFLJHFEASDIA-UHFFFAOYSA-N 0 0 214.374 3.503 20 0 BHADRN CCCCc1ccc(C(=O)NC(CC)CC)cc1 ZINC000590139662 346780566 /nfs/dbraw/zinc/78/05/66/346780566.db2.gz KXAMGYKYCASCPQ-UHFFFAOYSA-N 0 0 247.382 3.948 20 0 BHADRN CCCCc1ccc(C(=O)N[C@H](C)CCC)cc1 ZINC000590157243 346781836 /nfs/dbraw/zinc/78/18/36/346781836.db2.gz IIKYYMBMXQGWJD-CYBMUJFWSA-N 0 0 247.382 3.948 20 0 BHADRN CCCCc1ccc(C(=O)N[C@@H](C)CCC)cc1 ZINC000590157245 346782371 /nfs/dbraw/zinc/78/23/71/346782371.db2.gz IIKYYMBMXQGWJD-ZDUSSCGKSA-N 0 0 247.382 3.948 20 0 BHADRN CCCCc1ccc(C(=O)NC(C)(C)CC)cc1 ZINC000590159780 346783113 /nfs/dbraw/zinc/78/31/13/346783113.db2.gz WIQPBBJOLRUJKI-UHFFFAOYSA-N 0 0 247.382 3.948 20 0 BHADRN CCC[C@H](CC)NC(=O)Cc1cc(C)ccc1C ZINC000590226525 346855444 /nfs/dbraw/zinc/85/54/44/346855444.db2.gz ZMWUESYTCRAAOS-HNNXBMFYSA-N 0 0 247.382 3.541 20 0 BHADRN CCC[C@@H](CC)NC(=O)Cc1cc(C)ccc1C ZINC000590226527 346855616 /nfs/dbraw/zinc/85/56/16/346855616.db2.gz ZMWUESYTCRAAOS-OAHLLOKOSA-N 0 0 247.382 3.541 20 0 BHADRN CC(C)C(C)(C)NC(=O)C[C@@H](C)CC(C)(C)C ZINC000590243799 346877203 /nfs/dbraw/zinc/87/72/03/346877203.db2.gz PYTOMFYVKDNUHN-GFCCVEGCSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)C(C)(C)NC(=O)C[C@H](C)CC(C)(C)C ZINC000590243804 346877188 /nfs/dbraw/zinc/87/71/88/346877188.db2.gz PYTOMFYVKDNUHN-LBPRGKRZSA-N 0 0 241.419 4.000 20 0 BHADRN CC(C)C(C)(C)NC(=O)CCC1CCCC1 ZINC000590244082 346876489 /nfs/dbraw/zinc/87/64/89/346876489.db2.gz DDKSBYQLPOAZRS-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)c1ccc(C(=O)NC(C)(C)C(C)C)cc1 ZINC000590244195 346876610 /nfs/dbraw/zinc/87/66/10/346876610.db2.gz UVRNLLKXMUTMON-UHFFFAOYSA-N 0 0 247.382 3.974 20 0 BHADRN Cc1cc(C(=O)NC(C)(C)C(C)C)c(C)s1 ZINC000590244412 346877803 /nfs/dbraw/zinc/87/78/03/346877803.db2.gz XYIBLJVSYJAIRY-UHFFFAOYSA-N 0 0 239.384 3.529 20 0 BHADRN c1nc(S[C@@H]2C=CCCC2)n2ccccc12 ZINC000590385234 347057647 /nfs/dbraw/zinc/05/76/47/347057647.db2.gz BUMWMPMSNVYDMO-GFCCVEGCSA-N 0 0 230.336 3.535 20 0 BHADRN c1nc(S[C@H]2C=CCCC2)n2ccccc12 ZINC000590385249 347057531 /nfs/dbraw/zinc/05/75/31/347057531.db2.gz BUMWMPMSNVYDMO-LBPRGKRZSA-N 0 0 230.336 3.535 20 0 BHADRN Fc1ccc(O[C@H]2C=CCCC2)c(Cl)c1 ZINC000590385389 347058289 /nfs/dbraw/zinc/05/82/89/347058289.db2.gz IJRGCLIYPOGKGJ-JTQLQIEISA-N 0 0 226.678 3.967 20 0 BHADRN Fc1ccc(O[C@@H]2C=CCCC2)c(Cl)c1 ZINC000590385397 347058192 /nfs/dbraw/zinc/05/81/92/347058192.db2.gz IJRGCLIYPOGKGJ-SNVBAGLBSA-N 0 0 226.678 3.967 20 0 BHADRN Cn1c2ccccc2nc1S[C@@H]1C=CCCC1 ZINC000590385636 347059854 /nfs/dbraw/zinc/05/98/54/347059854.db2.gz OVJAOZQBVKYWGP-LLVKDONJSA-N 0 0 244.363 3.774 20 0 BHADRN Cn1c2ccccc2nc1S[C@H]1C=CCCC1 ZINC000590385659 347059598 /nfs/dbraw/zinc/05/95/98/347059598.db2.gz OVJAOZQBVKYWGP-NSHDSACASA-N 0 0 244.363 3.774 20 0 BHADRN c1cc2ncnc(S[C@@H]3C=CCCC3)c2s1 ZINC000590388226 347060495 /nfs/dbraw/zinc/06/04/95/347060495.db2.gz MEERBCGBTNPMDH-SECBINFHSA-N 0 0 248.376 3.892 20 0 BHADRN c1cc2ncnc(S[C@H]3C=CCCC3)c2s1 ZINC000590388232 347060565 /nfs/dbraw/zinc/06/05/65/347060565.db2.gz MEERBCGBTNPMDH-VIFPVBQESA-N 0 0 248.376 3.892 20 0 BHADRN COc1ccccc1S[C@@H]1C=CCCC1 ZINC000590388294 347060460 /nfs/dbraw/zinc/06/04/60/347060460.db2.gz ODAMNGRASCMDPP-LLVKDONJSA-N 0 0 220.337 3.896 20 0 BHADRN COc1ccccc1S[C@H]1C=CCCC1 ZINC000590388300 347060650 /nfs/dbraw/zinc/06/06/50/347060650.db2.gz ODAMNGRASCMDPP-NSHDSACASA-N 0 0 220.337 3.896 20 0 BHADRN COc1ccc(S[C@@H]2C=CCCC2)cc1 ZINC000590388800 347060662 /nfs/dbraw/zinc/06/06/62/347060662.db2.gz RWRRTBSBTQXPPZ-GFCCVEGCSA-N 0 0 220.337 3.896 20 0 BHADRN COc1ccc(S[C@H]2C=CCCC2)cc1 ZINC000590388801 347060572 /nfs/dbraw/zinc/06/05/72/347060572.db2.gz RWRRTBSBTQXPPZ-LBPRGKRZSA-N 0 0 220.337 3.896 20 0 BHADRN COc1cccc(S[C@@H]2C=CCCC2)c1 ZINC000590388811 347061788 /nfs/dbraw/zinc/06/17/88/347061788.db2.gz SDMOMJDPVPNWKY-GFCCVEGCSA-N 0 0 220.337 3.896 20 0 BHADRN COc1cccc(S[C@H]2C=CCCC2)c1 ZINC000590388812 347061375 /nfs/dbraw/zinc/06/13/75/347061375.db2.gz SDMOMJDPVPNWKY-LBPRGKRZSA-N 0 0 220.337 3.896 20 0 BHADRN CC[N@H+](Cc1cccc(F)c1)[C@H]1C=CCCC1 ZINC000590400484 347088076 /nfs/dbraw/zinc/08/80/76/347088076.db2.gz GUJOSULHUHNXCG-HNNXBMFYSA-N 0 0 233.330 3.756 20 0 BHADRN CCCCC(=O)NC(C)(C)Cc1ccccc1C ZINC000590465430 347228533 /nfs/dbraw/zinc/22/85/33/347228533.db2.gz OWCGXKKPAWOESX-UHFFFAOYSA-N 0 0 247.382 3.623 20 0 BHADRN CCC[C@H](NC(=O)[C@@H]1C[C@H]1C)C1CCCCC1 ZINC000590466725 347238402 /nfs/dbraw/zinc/23/84/02/347238402.db2.gz SQYIFWDVNLATQD-BNOWGMLFSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](NC(=O)[C@H]1C[C@@H]1C)C1CCCCC1 ZINC000590466730 347238207 /nfs/dbraw/zinc/23/82/07/347238207.db2.gz SQYIFWDVNLATQD-UBHSHLNASA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](NC(=O)[C@H]1C[C@H]1C)C1CCCCC1 ZINC000590466732 347238330 /nfs/dbraw/zinc/23/83/30/347238330.db2.gz SQYIFWDVNLATQD-XBFCOCLRSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](NC(=O)[C@@H]1C[C@@H]1C)C1CCCCC1 ZINC000590466736 347238691 /nfs/dbraw/zinc/23/86/91/347238691.db2.gz SQYIFWDVNLATQD-YUTCNCBUSA-N 0 0 237.387 3.508 20 0 BHADRN c1nc2c(c(SCC3CCCCC3)n1)CCC2 ZINC000590492718 347404703 /nfs/dbraw/zinc/40/47/03/347404703.db2.gz DNKWZFAJJPUOID-UHFFFAOYSA-N 0 0 248.395 3.638 20 0 BHADRN CCCC[C@@H](C)N(CCCC)C(=O)CSC ZINC000590520633 385488133 /nfs/dbraw/zinc/48/81/33/385488133.db2.gz YXCWMFPXMWRPFC-GFCCVEGCSA-N 0 0 245.432 3.557 20 0 BHADRN CCCC[C@H](C)N(CCCC)C(=O)CSC ZINC000590520648 385488485 /nfs/dbraw/zinc/48/84/85/385488485.db2.gz YXCWMFPXMWRPFC-LBPRGKRZSA-N 0 0 245.432 3.557 20 0 BHADRN CCCCC(=O)N[C@@H]1CCCC[C@H]1CCC ZINC000590559133 347471466 /nfs/dbraw/zinc/47/14/66/347471466.db2.gz BVWIDPNZMYCMNK-CHWSQXEVSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC(=O)N[C@H]1CCCC[C@H]1CCC ZINC000590559134 347471842 /nfs/dbraw/zinc/47/18/42/347471842.db2.gz BVWIDPNZMYCMNK-OLZOCXBDSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000590559135 347471486 /nfs/dbraw/zinc/47/14/86/347471486.db2.gz BVWIDPNZMYCMNK-QWHCGFSZSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC(=O)N[C@H]1CCCC[C@@H]1CCC ZINC000590559136 347471786 /nfs/dbraw/zinc/47/17/86/347471786.db2.gz BVWIDPNZMYCMNK-STQMWFEESA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC ZINC000590559539 347471798 /nfs/dbraw/zinc/47/17/98/347471798.db2.gz KIWCGGHZHFDIEA-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)CC ZINC000590559540 347471711 /nfs/dbraw/zinc/47/17/11/347471711.db2.gz KIWCGGHZHFDIEA-UPJWGTAASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000590560244 347471605 /nfs/dbraw/zinc/47/16/05/347471605.db2.gz ILPLIEXRNCRGGO-KFWWJZLASA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000590560273 347471387 /nfs/dbraw/zinc/47/13/87/347471387.db2.gz ILPLIEXRNCRGGO-RBSFLKMASA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000590560275 347471537 /nfs/dbraw/zinc/47/15/37/347471537.db2.gz ILPLIEXRNCRGGO-RRFJBIMHSA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C=CCC1 ZINC000590560276 347471610 /nfs/dbraw/zinc/47/16/10/347471610.db2.gz ILPLIEXRNCRGGO-ZNMIVQPWSA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC=CCC1 ZINC000590560289 347471703 /nfs/dbraw/zinc/47/17/03/347471703.db2.gz IMSWZKMRPSAMRC-ILXRZTDVSA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CCC1 ZINC000590560290 347471748 /nfs/dbraw/zinc/47/17/48/347471748.db2.gz IMSWZKMRPSAMRC-KFWWJZLASA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC=CCC1 ZINC000590560291 347471661 /nfs/dbraw/zinc/47/16/61/347471661.db2.gz IMSWZKMRPSAMRC-QLFBSQMISA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC000590560292 347471763 /nfs/dbraw/zinc/47/17/63/347471763.db2.gz IMSWZKMRPSAMRC-RBSFLKMASA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@H]1CCCC[C@H]1NC(=O)C1CCCC1 ZINC000590561646 490108004 /nfs/dbraw/zinc/10/80/04/490108004.db2.gz OMYNTRGOVIDUDB-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1NC(=O)C1CCCC1 ZINC000590561648 490107889 /nfs/dbraw/zinc/10/78/89/490107889.db2.gz OMYNTRGOVIDUDB-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)C1CCCC1 ZINC000590561649 490107673 /nfs/dbraw/zinc/10/76/73/490107673.db2.gz OMYNTRGOVIDUDB-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)C1CCCC1 ZINC000590561652 490108034 /nfs/dbraw/zinc/10/80/34/490108034.db2.gz OMYNTRGOVIDUDB-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)o1 ZINC000590563452 347469733 /nfs/dbraw/zinc/46/97/33/347469733.db2.gz YLSUWTPAVRFARN-CHWSQXEVSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)o1 ZINC000590563471 347469614 /nfs/dbraw/zinc/46/96/14/347469614.db2.gz YLSUWTPAVRFARN-OLZOCXBDSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)o1 ZINC000590563473 347469695 /nfs/dbraw/zinc/46/96/95/347469695.db2.gz YLSUWTPAVRFARN-QWHCGFSZSA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)o1 ZINC000590563474 347469320 /nfs/dbraw/zinc/46/93/20/347469320.db2.gz YLSUWTPAVRFARN-STQMWFEESA-N 0 0 249.354 3.677 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)C ZINC000590563887 347469562 /nfs/dbraw/zinc/46/95/62/347469562.db2.gz ZVFBYTRNURVRON-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)C ZINC000590563894 347469392 /nfs/dbraw/zinc/46/93/92/347469392.db2.gz ZVFBYTRNURVRON-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H]1CCCC[C@H]1NC(=O)CC(C)(C)C ZINC000590563897 347469634 /nfs/dbraw/zinc/46/96/34/347469634.db2.gz ZVFBYTRNURVRON-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1NC(=O)CC(C)(C)C ZINC000590563900 347469647 /nfs/dbraw/zinc/46/96/47/347469647.db2.gz ZVFBYTRNURVRON-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN C[C@H](CC(=O)N1CCCC1(C)C)CC(C)(C)C ZINC000590592817 347478085 /nfs/dbraw/zinc/47/80/85/347478085.db2.gz YUCMEMXRQPJXRV-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](CC(=O)N1CCCC1(C)C)CC(C)(C)C ZINC000590592818 347477832 /nfs/dbraw/zinc/47/78/32/347477832.db2.gz YUCMEMXRQPJXRV-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCC1(C)C ZINC000590594382 347479068 /nfs/dbraw/zinc/47/90/68/347479068.db2.gz GAYGXHKQSBAPNX-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)N1CCCC1(C)C ZINC000590594383 347478632 /nfs/dbraw/zinc/47/86/32/347478632.db2.gz GAYGXHKQSBAPNX-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@@H]1CC(=O)N1CCCC1(C)C ZINC000590594385 347478481 /nfs/dbraw/zinc/47/84/81/347478481.db2.gz GAYGXHKQSBAPNX-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCC[C@H]1CC(=O)N1CCCC1(C)C ZINC000590594387 347478960 /nfs/dbraw/zinc/47/89/60/347478960.db2.gz GAYGXHKQSBAPNX-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN Cc1nocc1CSCc1ccccc1C ZINC000590597129 347479290 /nfs/dbraw/zinc/47/92/90/347479290.db2.gz OAODWLKFLQWOJX-UHFFFAOYSA-N 0 0 233.336 3.725 20 0 BHADRN Cc1nsc(C)c1CSCc1ccco1 ZINC000590597410 347479648 /nfs/dbraw/zinc/47/96/48/347479648.db2.gz OSFGMJWPIAZFAY-UHFFFAOYSA-N 0 0 239.365 3.786 20 0 BHADRN CCC[C@H](C)NC(=O)c1ccc(C)c(Cl)c1 ZINC000590655275 347488800 /nfs/dbraw/zinc/48/88/00/347488800.db2.gz HYMLZJSNTKEKGS-JTQLQIEISA-N 0 0 239.746 3.567 20 0 BHADRN CCC[C@@H](C)NC(=O)c1ccc(C)c(Cl)c1 ZINC000590655276 347488751 /nfs/dbraw/zinc/48/87/51/347488751.db2.gz HYMLZJSNTKEKGS-SNVBAGLBSA-N 0 0 239.746 3.567 20 0 BHADRN Cc1cc(NC(=O)CCC(C)(F)F)ccc1F ZINC000590680098 640623713 /nfs/dbraw/zinc/62/37/13/640623713.db2.gz KWNCSEAAKVWZES-UHFFFAOYSA-N 0 0 245.244 3.508 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@@H]1C1CC1 ZINC000590718568 347500615 /nfs/dbraw/zinc/50/06/15/347500615.db2.gz UTWYTTBJLFOCNI-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@H]1C1CC1 ZINC000590718569 347500883 /nfs/dbraw/zinc/50/08/83/347500883.db2.gz UTWYTTBJLFOCNI-SNPRPXQTSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@@H]1C1CC1 ZINC000590718570 347500963 /nfs/dbraw/zinc/50/09/63/347500963.db2.gz UTWYTTBJLFOCNI-VHDGCEQUSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@H]1C1CC1 ZINC000590718571 347500975 /nfs/dbraw/zinc/50/09/75/347500975.db2.gz UTWYTTBJLFOCNI-YUELXQCFSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H](O)CCS[C@H](C)c1ccccc1Cl ZINC000590723539 347494087 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/nfs/dbraw/zinc/49/40/00/347494000.db2.gz WEBNZXWFHHYFAU-IUCAKERBSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@@H](O)CCS[C@H](C)c1c(F)cccc1F ZINC000590723546 347494038 /nfs/dbraw/zinc/49/40/38/347494038.db2.gz WEBNZXWFHHYFAU-RKDXNWHRSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@@H](O)CCSCc1cccc2ccccc21 ZINC000590723883 347493961 /nfs/dbraw/zinc/49/39/61/347493961.db2.gz KESIUFDXVCHKDG-GFCCVEGCSA-N 0 0 246.375 3.844 20 0 BHADRN C[C@H](O)CCSCc1cccc2ccccc21 ZINC000590723888 347494077 /nfs/dbraw/zinc/49/40/77/347494077.db2.gz KESIUFDXVCHKDG-LBPRGKRZSA-N 0 0 246.375 3.844 20 0 BHADRN CCOCCSC[C@@H]1CCCCC1(F)F ZINC000590725996 347496112 /nfs/dbraw/zinc/49/61/12/347496112.db2.gz GZRNYVIDNUHLPR-JTQLQIEISA-N 0 0 238.343 3.582 20 0 BHADRN CCOCCSC[C@H]1CCCCC1(F)F ZINC000590725997 347496022 /nfs/dbraw/zinc/49/60/22/347496022.db2.gz GZRNYVIDNUHLPR-SNVBAGLBSA-N 0 0 238.343 3.582 20 0 BHADRN Cc1cccc(Cl)c1CS[C@@H](C)CCO ZINC000590727161 347496644 /nfs/dbraw/zinc/49/66/44/347496644.db2.gz POORRNQNCBSCOR-JTQLQIEISA-N 0 0 244.787 3.653 20 0 BHADRN Cc1cccc(Cl)c1CS[C@H](C)CCO ZINC000590727162 347496768 /nfs/dbraw/zinc/49/67/68/347496768.db2.gz POORRNQNCBSCOR-SNVBAGLBSA-N 0 0 244.787 3.653 20 0 BHADRN CC1(C)CCC(SCc2csnn2)CC1 ZINC000590737336 347501400 /nfs/dbraw/zinc/50/14/00/347501400.db2.gz HAGUAZNVPXMZNF-UHFFFAOYSA-N 0 0 242.413 3.740 20 0 BHADRN CN(C)c1cccc(CSC2CCC2)c1 ZINC000590740010 347502967 /nfs/dbraw/zinc/50/29/67/347502967.db2.gz DYMWUXQQRNIFKJ-UHFFFAOYSA-N 0 0 221.369 3.538 20 0 BHADRN c1ccc2sc(N3CCC[C@@H]3C3CC3)nc2c1 ZINC000590770847 397914711 /nfs/dbraw/zinc/91/47/11/397914711.db2.gz LRYJBTMAQNTELS-GFCCVEGCSA-N 0 0 244.363 3.675 20 0 BHADRN c1ccc2sc(N3CCC[C@H]3C3CC3)nc2c1 ZINC000590770848 397914705 /nfs/dbraw/zinc/91/47/05/397914705.db2.gz LRYJBTMAQNTELS-LBPRGKRZSA-N 0 0 244.363 3.675 20 0 BHADRN CCC[C@@H](C)C(=O)N(C(CC)CC)C1CC1 ZINC000590817424 491070383 /nfs/dbraw/zinc/07/03/83/491070383.db2.gz JBGKKWBASRFWTD-LLVKDONJSA-N 0 0 225.376 3.602 20 0 BHADRN CCC[C@H](C)C(=O)N(C(CC)CC)C1CC1 ZINC000590817425 491070377 /nfs/dbraw/zinc/07/03/77/491070377.db2.gz JBGKKWBASRFWTD-NSHDSACASA-N 0 0 225.376 3.602 20 0 BHADRN CCSCc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000590879288 347576409 /nfs/dbraw/zinc/57/64/09/347576409.db2.gz JOWQVMPXWTZUHJ-GWCFXTLKSA-N 0 0 249.379 3.534 20 0 BHADRN CCSCc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000590879289 347576760 /nfs/dbraw/zinc/57/67/60/347576760.db2.gz JOWQVMPXWTZUHJ-GXFFZTMASA-N 0 0 249.379 3.534 20 0 BHADRN CCSCc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000590879290 347576443 /nfs/dbraw/zinc/57/64/43/347576443.db2.gz JOWQVMPXWTZUHJ-MFKMUULPSA-N 0 0 249.379 3.534 20 0 BHADRN CCSCc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000590879291 347576399 /nfs/dbraw/zinc/57/63/99/347576399.db2.gz JOWQVMPXWTZUHJ-ZWNOBZJWSA-N 0 0 249.379 3.534 20 0 BHADRN CCC[C@H](C)NC(=O)C[C@H](CC)c1ccccc1 ZINC000590883567 347579531 /nfs/dbraw/zinc/57/95/31/347579531.db2.gz BITCNKLZRWCJDS-KBPBESRZSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@@H](C)NC(=O)C[C@H](CC)c1ccccc1 ZINC000590883568 347579471 /nfs/dbraw/zinc/57/94/71/347579471.db2.gz BITCNKLZRWCJDS-KGLIPLIRSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@H](C)NC(=O)C[C@@H](CC)c1ccccc1 ZINC000590883569 347579766 /nfs/dbraw/zinc/57/97/66/347579766.db2.gz BITCNKLZRWCJDS-UONOGXRCSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@@H](C)NC(=O)C[C@@H](CC)c1ccccc1 ZINC000590883570 347579397 /nfs/dbraw/zinc/57/93/97/347579397.db2.gz BITCNKLZRWCJDS-ZIAGYGMSSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@@H](C)NC(=O)CCCC(C)(C)C ZINC000590883578 347579415 /nfs/dbraw/zinc/57/94/15/347579415.db2.gz FGIMUUMPTPLWCV-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)CCCC(C)(C)C ZINC000590883579 347579626 /nfs/dbraw/zinc/57/96/26/347579626.db2.gz FGIMUUMPTPLWCV-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CC(C)N(C(=O)CCC(C)(F)F)C1CCCC1 ZINC000590885558 347579434 /nfs/dbraw/zinc/57/94/34/347579434.db2.gz SGZYMZRCCVPOSC-UHFFFAOYSA-N 0 0 247.329 3.601 20 0 BHADRN CC(C)CCN(C)C(=O)CCCC(C)(C)C ZINC000590886486 347581159 /nfs/dbraw/zinc/58/11/59/347581159.db2.gz USJUOVHWEZVYKS-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN CC(C)N(CC1CC1)C(=O)CCCC(C)(C)C ZINC000590886973 347581260 /nfs/dbraw/zinc/58/12/60/347581260.db2.gz CYEIWDYBUIWHRF-UHFFFAOYSA-N 0 0 239.403 3.850 20 0 BHADRN CCCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C1CC1 ZINC000590892745 347582469 /nfs/dbraw/zinc/58/24/69/347582469.db2.gz ATEZFRRYWCCXBT-KBPBESRZSA-N 0 0 249.398 3.626 20 0 BHADRN CCCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C1CC1 ZINC000590892747 347582712 /nfs/dbraw/zinc/58/27/12/347582712.db2.gz ATEZFRRYWCCXBT-KGLIPLIRSA-N 0 0 249.398 3.626 20 0 BHADRN CCCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C1CC1 ZINC000590892748 347582442 /nfs/dbraw/zinc/58/24/42/347582442.db2.gz ATEZFRRYWCCXBT-UONOGXRCSA-N 0 0 249.398 3.626 20 0 BHADRN CCCN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C1CC1 ZINC000590892750 347582719 /nfs/dbraw/zinc/58/27/19/347582719.db2.gz ATEZFRRYWCCXBT-ZIAGYGMSSA-N 0 0 249.398 3.626 20 0 BHADRN CCCN(C(=O)C[C@@H](C)CC(C)(C)C)C1CC1 ZINC000590892851 347582733 /nfs/dbraw/zinc/58/27/33/347582733.db2.gz YUNKDMJDDFPZPR-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCN(C(=O)C[C@H](C)CC(C)(C)C)C1CC1 ZINC000590892852 347582717 /nfs/dbraw/zinc/58/27/17/347582717.db2.gz YUNKDMJDDFPZPR-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H](C)C(=O)N(C1CC1)C1CCCCC1 ZINC000590966127 347595955 /nfs/dbraw/zinc/59/59/55/347595955.db2.gz XHCJVRARKYJIRT-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN CCC[C@H](C)C(=O)N(C1CC1)C1CCCCC1 ZINC000590966128 347596007 /nfs/dbraw/zinc/59/60/07/347596007.db2.gz XHCJVRARKYJIRT-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN CCC[C@@H](C)NC(=O)c1cccc(C(F)F)c1 ZINC000590999391 347604566 /nfs/dbraw/zinc/60/45/66/347604566.db2.gz HMZZSXGPEMDXEF-SECBINFHSA-N 0 0 241.281 3.543 20 0 BHADRN CCC[C@H](C)NC(=O)c1cccc(C(F)F)c1 ZINC000590999392 347604625 /nfs/dbraw/zinc/60/46/25/347604625.db2.gz HMZZSXGPEMDXEF-VIFPVBQESA-N 0 0 241.281 3.543 20 0 BHADRN CCC[C@@H](C)NC(=O)NCCCCC(C)(C)C ZINC000591021221 487788651 /nfs/dbraw/zinc/78/86/51/487788651.db2.gz GXDCJWWRVDTBBL-GFCCVEGCSA-N 0 0 242.407 3.691 20 0 BHADRN CCC[C@H](C)NC(=O)NCCCCC(C)(C)C ZINC000591021222 487788584 /nfs/dbraw/zinc/78/85/84/487788584.db2.gz GXDCJWWRVDTBBL-LBPRGKRZSA-N 0 0 242.407 3.691 20 0 BHADRN CC(C)[C@H](C)Sc1nc2ccccc2n1C ZINC000591037971 491070621 /nfs/dbraw/zinc/07/06/21/491070621.db2.gz BARRIMSVDOKLCU-JTQLQIEISA-N 0 0 234.368 3.710 20 0 BHADRN CC(C)[C@@H](C)Sc1nc2ccccc2n1C ZINC000591037972 491070592 /nfs/dbraw/zinc/07/05/92/491070592.db2.gz BARRIMSVDOKLCU-SNVBAGLBSA-N 0 0 234.368 3.710 20 0 BHADRN CCSc1nnc(S[C@H](C)C(C)C)s1 ZINC000591037994 491070619 /nfs/dbraw/zinc/07/06/19/491070619.db2.gz DLHIJXYLZPACOL-SSDOTTSWSA-N 0 0 248.442 3.787 20 0 BHADRN CCSc1nnc(S[C@@H](C)C(C)C)s1 ZINC000591037995 491070614 /nfs/dbraw/zinc/07/06/14/491070614.db2.gz DLHIJXYLZPACOL-ZETCQYMHSA-N 0 0 248.442 3.787 20 0 BHADRN CC(C)[C@H](C)Sc1nnc(-c2ccccc2)o1 ZINC000591038128 490120721 /nfs/dbraw/zinc/12/07/21/490120721.db2.gz QRVFEJSMDVFNNE-JTQLQIEISA-N 0 0 248.351 3.873 20 0 BHADRN CC(C)[C@@H](C)Sc1nnc(-c2ccccc2)o1 ZINC000591038129 490120786 /nfs/dbraw/zinc/12/07/86/490120786.db2.gz QRVFEJSMDVFNNE-SNVBAGLBSA-N 0 0 248.351 3.873 20 0 BHADRN CC(C)[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000591038164 490120740 /nfs/dbraw/zinc/12/07/40/490120740.db2.gz VQRIZSIBQAXDLP-SECBINFHSA-N 0 0 220.341 3.700 20 0 BHADRN CC(C)[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000591038165 490120761 /nfs/dbraw/zinc/12/07/61/490120761.db2.gz VQRIZSIBQAXDLP-VIFPVBQESA-N 0 0 220.341 3.700 20 0 BHADRN CC(C)[C@@H](C)Sc1nc2ccccc2o1 ZINC000591038186 490120647 /nfs/dbraw/zinc/12/06/47/490120647.db2.gz XXOFKLMYTRBRJB-SECBINFHSA-N 0 0 221.325 3.964 20 0 BHADRN CC(C)[C@H](C)Sc1nc2ccccc2o1 ZINC000591038187 490120513 /nfs/dbraw/zinc/12/05/13/490120513.db2.gz XXOFKLMYTRBRJB-VIFPVBQESA-N 0 0 221.325 3.964 20 0 BHADRN COc1ccc(S[C@@H](C)C(C)C)cc1 ZINC000591038724 347609787 /nfs/dbraw/zinc/60/97/87/347609787.db2.gz WFEPTCOQUNWNSA-JTQLQIEISA-N 0 0 210.342 3.832 20 0 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/nfs/dbraw/zinc/65/23/44/347652344.db2.gz IWHFLEMNMQOUNE-CYBMUJFWSA-N 0 0 226.385 3.647 20 0 BHADRN C1=C(CSC[C@H]2CCCOC2)CCCC1 ZINC000591386049 347652381 /nfs/dbraw/zinc/65/23/81/347652381.db2.gz IWHFLEMNMQOUNE-ZDUSSCGKSA-N 0 0 226.385 3.647 20 0 BHADRN CCC[C@@H](C)SCc1nnc(CC)s1 ZINC000591387866 347653327 /nfs/dbraw/zinc/65/33/27/347653327.db2.gz HCRDYUWEXQEUOE-MRVPVSSYSA-N 0 0 230.402 3.522 20 0 BHADRN CCC[C@H](C)SCc1nnc(CC)s1 ZINC000591387867 347653237 /nfs/dbraw/zinc/65/32/37/347653237.db2.gz HCRDYUWEXQEUOE-QMMMGPOBSA-N 0 0 230.402 3.522 20 0 BHADRN CCc1nnc(CS[C@H]2CC[C@@H](C)C2)s1 ZINC000591387900 347652990 /nfs/dbraw/zinc/65/29/90/347652990.db2.gz JWLPDUUCMGLGDG-BDAKNGLRSA-N 0 0 242.413 3.522 20 0 BHADRN CCc1nnc(CS[C@@H]2CC[C@H](C)C2)s1 ZINC000591387903 347653084 /nfs/dbraw/zinc/65/30/84/347653084.db2.gz JWLPDUUCMGLGDG-DTWKUNHWSA-N 0 0 242.413 3.522 20 0 BHADRN CCc1nnc(CS[C@H]2CC[C@H](C)C2)s1 ZINC000591387904 347653335 /nfs/dbraw/zinc/65/33/35/347653335.db2.gz JWLPDUUCMGLGDG-IUCAKERBSA-N 0 0 242.413 3.522 20 0 BHADRN CCc1nnc(CS[C@@H]2CC[C@@H](C)C2)s1 ZINC000591387907 347653003 /nfs/dbraw/zinc/65/30/03/347653003.db2.gz JWLPDUUCMGLGDG-RKDXNWHRSA-N 0 0 242.413 3.522 20 0 BHADRN CCc1nnc(CS[C@H](C)CC(C)C)s1 ZINC000591388036 347653162 /nfs/dbraw/zinc/65/31/62/347653162.db2.gz VFSMRYNCAXEIER-SECBINFHSA-N 0 0 244.429 3.768 20 0 BHADRN C[C@H]1CC[C@@H](SCc2ccccn2)C1 ZINC000591388039 347653141 /nfs/dbraw/zinc/65/31/41/347653141.db2.gz JFRHFYDORRUFPN-CMPLNLGQSA-N 0 0 207.342 3.503 20 0 BHADRN CCc1nnc(CS[C@@H](C)CC(C)C)s1 ZINC000591388042 347653200 /nfs/dbraw/zinc/65/32/00/347653200.db2.gz VFSMRYNCAXEIER-VIFPVBQESA-N 0 0 244.429 3.768 20 0 BHADRN C[C@H]1CC[C@H](SCc2ccccn2)C1 ZINC000591388044 347653292 /nfs/dbraw/zinc/65/32/92/347653292.db2.gz JFRHFYDORRUFPN-JQWIXIFHSA-N 0 0 207.342 3.503 20 0 BHADRN C[C@@H]1CC[C@H](SCc2ccccn2)C1 ZINC000591388045 347653032 /nfs/dbraw/zinc/65/30/32/347653032.db2.gz JFRHFYDORRUFPN-PWSUYJOCSA-N 0 0 207.342 3.503 20 0 BHADRN C[C@@H]1CC[C@@H](SCc2ccccn2)C1 ZINC000591388046 347653333 /nfs/dbraw/zinc/65/33/33/347653333.db2.gz JFRHFYDORRUFPN-ZYHUDNBSSA-N 0 0 207.342 3.503 20 0 BHADRN CC(C)C[C@@H](C)SCc1ccccn1 ZINC000591388086 347653030 /nfs/dbraw/zinc/65/30/30/347653030.db2.gz KYOZJZYJNXEMFK-LLVKDONJSA-N 0 0 209.358 3.749 20 0 BHADRN CC(C)C[C@H](C)SCc1ccccn1 ZINC000591388090 347652997 /nfs/dbraw/zinc/65/29/97/347652997.db2.gz KYOZJZYJNXEMFK-NSHDSACASA-N 0 0 209.358 3.749 20 0 BHADRN CC(C)(C)CCCSCCc1cn[nH]c1 ZINC000591389804 347653079 /nfs/dbraw/zinc/65/30/79/347653079.db2.gz QKYFXQKJKNYIBO-UHFFFAOYSA-N 0 0 226.389 3.512 20 0 BHADRN Cc1nnc(CSCCC2CCCCC2)o1 ZINC000591404586 347656423 /nfs/dbraw/zinc/65/64/23/347656423.db2.gz BTHRAQUZCCQQBD-UHFFFAOYSA-N 0 0 240.372 3.582 20 0 BHADRN CC[C@H](CC(=O)Nc1ccc(C)cc1O)C(C)C ZINC000591422759 347657495 /nfs/dbraw/zinc/65/74/95/347657495.db2.gz MAPZOZVFSBMTLU-GFCCVEGCSA-N 0 0 249.354 3.711 20 0 BHADRN CC[C@@H](CC(=O)Nc1ccc(C)cc1O)C(C)C ZINC000591422760 347657507 /nfs/dbraw/zinc/65/75/07/347657507.db2.gz MAPZOZVFSBMTLU-LBPRGKRZSA-N 0 0 249.354 3.711 20 0 BHADRN CC(C)c1cccc(N(C)Cc2ccccn2)c1 ZINC000591469858 397928681 /nfs/dbraw/zinc/92/86/81/397928681.db2.gz CGVLGGQMDNTHEC-UHFFFAOYSA-N 0 0 240.350 3.841 20 0 BHADRN CC(C)OCCCN1C[C@@H](C)Cc2ccccc21 ZINC000591472526 347667205 /nfs/dbraw/zinc/66/72/05/347667205.db2.gz LWHFNONMPPQVDM-AWEZNQCLSA-N 0 0 247.382 3.500 20 0 BHADRN CC(C)OCCCN1C[C@H](C)Cc2ccccc21 ZINC000591472527 347667552 /nfs/dbraw/zinc/66/75/52/347667552.db2.gz LWHFNONMPPQVDM-CQSZACIVSA-N 0 0 247.382 3.500 20 0 BHADRN CCCCOCCN1C[C@@H](C)Cc2ccccc21 ZINC000591472802 347667336 /nfs/dbraw/zinc/66/73/36/347667336.db2.gz XXQIPZLFRFWNIO-AWEZNQCLSA-N 0 0 247.382 3.502 20 0 BHADRN CCCCOCCN1C[C@H](C)Cc2ccccc21 ZINC000591472803 347667458 /nfs/dbraw/zinc/66/74/58/347667458.db2.gz XXQIPZLFRFWNIO-CQSZACIVSA-N 0 0 247.382 3.502 20 0 BHADRN COCCCCCN1C[C@@H](C)Cc2ccccc21 ZINC000591472804 347667507 /nfs/dbraw/zinc/66/75/07/347667507.db2.gz YEOLMVZBMXOYLJ-AWEZNQCLSA-N 0 0 247.382 3.502 20 0 BHADRN COCCCCCN1C[C@H](C)Cc2ccccc21 ZINC000591472805 347667610 /nfs/dbraw/zinc/66/76/10/347667610.db2.gz YEOLMVZBMXOYLJ-CQSZACIVSA-N 0 0 247.382 3.502 20 0 BHADRN CCc1cccc(NC(=O)NCC(CC)CC)c1 ZINC000591477695 491071312 /nfs/dbraw/zinc/07/13/12/491071312.db2.gz KEJMSVVKNNKCJJ-UHFFFAOYSA-N 0 0 248.370 3.807 20 0 BHADRN Cc1noc([C@@H](C)S[C@@H]2CCC(C)(C)C2)n1 ZINC000591622451 347679387 /nfs/dbraw/zinc/67/93/87/347679387.db2.gz HHNFPQUEHZNBIB-PSASIEDQSA-N 0 0 240.372 3.751 20 0 BHADRN Cc1noc([C@@H](C)S[C@H]2CCC(C)(C)C2)n1 ZINC000591622452 347679485 /nfs/dbraw/zinc/67/94/85/347679485.db2.gz HHNFPQUEHZNBIB-SCZZXKLOSA-N 0 0 240.372 3.751 20 0 BHADRN Cc1noc([C@H](C)S[C@@H]2CCC(C)(C)C2)n1 ZINC000591622453 347679761 /nfs/dbraw/zinc/67/97/61/347679761.db2.gz HHNFPQUEHZNBIB-WCBMZHEXSA-N 0 0 240.372 3.751 20 0 BHADRN Cc1noc([C@H](C)S[C@H]2CCC(C)(C)C2)n1 ZINC000591622454 347679271 /nfs/dbraw/zinc/67/92/71/347679271.db2.gz HHNFPQUEHZNBIB-WPRPVWTQSA-N 0 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CC1(C)CC[C@@H](SCc2ccccn2)C1 ZINC000591624826 347680288 /nfs/dbraw/zinc/68/02/88/347680288.db2.gz VHNZSFVQNWPFRE-GFCCVEGCSA-N 0 0 221.369 3.894 20 0 BHADRN CC1(C)CC[C@H](SCc2ccccn2)C1 ZINC000591624837 347680164 /nfs/dbraw/zinc/68/01/64/347680164.db2.gz VHNZSFVQNWPFRE-LBPRGKRZSA-N 0 0 221.369 3.894 20 0 BHADRN CCCCCN(C(=O)[C@H](C)CCC)C(C)C ZINC000591640993 347682245 /nfs/dbraw/zinc/68/22/45/347682245.db2.gz LWNOUWOYBCTJRW-CYBMUJFWSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCCN(C(=O)[C@@H](C)CCC)C(C)C ZINC000591641011 347682272 /nfs/dbraw/zinc/68/22/72/347682272.db2.gz LWNOUWOYBCTJRW-ZDUSSCGKSA-N 0 0 227.392 3.850 20 0 BHADRN CC[C@@H](CC(=O)N(CC)[C@@H](C)C(C)C)C(C)C ZINC000591670003 347683835 /nfs/dbraw/zinc/68/38/35/347683835.db2.gz VRMMQPBBEKEKEW-KBPBESRZSA-N 0 0 241.419 3.952 20 0 BHADRN CC[C@@H](CC(=O)N(CC)[C@H](C)C(C)C)C(C)C ZINC000591670013 347684071 /nfs/dbraw/zinc/68/40/71/347684071.db2.gz VRMMQPBBEKEKEW-KGLIPLIRSA-N 0 0 241.419 3.952 20 0 BHADRN CC[C@H](CC(=O)N(CC)[C@@H](C)C(C)C)C(C)C ZINC000591670014 347683692 /nfs/dbraw/zinc/68/36/92/347683692.db2.gz VRMMQPBBEKEKEW-UONOGXRCSA-N 0 0 241.419 3.952 20 0 BHADRN CC[C@H](CC(=O)N(CC)[C@H](C)C(C)C)C(C)C ZINC000591670015 347684177 /nfs/dbraw/zinc/68/41/77/347684177.db2.gz VRMMQPBBEKEKEW-ZIAGYGMSSA-N 0 0 241.419 3.952 20 0 BHADRN CC(C)(C)CCCCNC(=O)C1(C)CCCC1 ZINC000591672734 347684525 /nfs/dbraw/zinc/68/45/25/347684525.db2.gz MAPSCRRBYPXEOV-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC(C)(C)C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000591676870 347685402 /nfs/dbraw/zinc/68/54/02/347685402.db2.gz DMPBIKGQXHYJME-GFCCVEGCSA-N 0 0 245.366 3.648 20 0 BHADRN CCC(C)(C)C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000591676877 347685388 /nfs/dbraw/zinc/68/53/88/347685388.db2.gz DMPBIKGQXHYJME-LBPRGKRZSA-N 0 0 245.366 3.648 20 0 BHADRN CCC[C@@H](C)C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000591680898 347685325 /nfs/dbraw/zinc/68/53/25/347685325.db2.gz YRACIECJDYSORF-CHWSQXEVSA-N 0 0 245.366 3.648 20 0 BHADRN CCC[C@H](C)C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000591680899 347685319 /nfs/dbraw/zinc/68/53/19/347685319.db2.gz YRACIECJDYSORF-OLZOCXBDSA-N 0 0 245.366 3.648 20 0 BHADRN CCC[C@@H](C)C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000591680900 347685248 /nfs/dbraw/zinc/68/52/48/347685248.db2.gz YRACIECJDYSORF-QWHCGFSZSA-N 0 0 245.366 3.648 20 0 BHADRN CCC[C@H](C)C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000591680901 347685433 /nfs/dbraw/zinc/68/54/33/347685433.db2.gz YRACIECJDYSORF-STQMWFEESA-N 0 0 245.366 3.648 20 0 BHADRN Oc1ccc(-c2csc(-c3ccoc3)n2)cc1 ZINC000591688280 347689490 /nfs/dbraw/zinc/68/94/90/347689490.db2.gz BWSQVIMTLKFFJP-UHFFFAOYSA-N 0 0 243.287 3.776 20 0 BHADRN CCC[C@H](NCc1ccc(C)o1)c1ccccn1 ZINC000591700182 347690079 /nfs/dbraw/zinc/69/00/79/347690079.db2.gz YKWGNPBYWWEPSL-AWEZNQCLSA-N 0 0 244.338 3.614 20 0 BHADRN CCC[C@@H](NCc1ccc(C)o1)c1ccccn1 ZINC000591700188 347690381 /nfs/dbraw/zinc/69/03/81/347690381.db2.gz YKWGNPBYWWEPSL-CQSZACIVSA-N 0 0 244.338 3.614 20 0 BHADRN O=c1[nH]c(C2CCCCC2)nc2cccc(F)c12 ZINC000591726358 347692670 /nfs/dbraw/zinc/69/26/70/347692670.db2.gz LJNABWZXYCLVOH-UHFFFAOYSA-N 0 0 246.285 3.522 20 0 BHADRN CC[C@@H](C)C(=O)N(c1ccccc1C)C(C)C ZINC000591786721 347699368 /nfs/dbraw/zinc/69/93/68/347699368.db2.gz NLKAKRPACCPCQU-GFCCVEGCSA-N 0 0 233.355 3.783 20 0 BHADRN CC[C@H](C)C(=O)N(c1ccccc1C)C(C)C ZINC000591786725 347699330 /nfs/dbraw/zinc/69/93/30/347699330.db2.gz NLKAKRPACCPCQU-LBPRGKRZSA-N 0 0 233.355 3.783 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@@H](CC)C(C)(C)C ZINC000591787248 347699574 /nfs/dbraw/zinc/69/95/74/347699574.db2.gz FRMGDUIQWXGWKF-NEPJUHHUSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@H](CC)C(C)(C)C ZINC000591787253 347699377 /nfs/dbraw/zinc/69/93/77/347699377.db2.gz FRMGDUIQWXGWKF-NWDGAFQWSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)N[C@@H](CC)C(C)(C)C ZINC000591787254 347699336 /nfs/dbraw/zinc/69/93/36/347699336.db2.gz FRMGDUIQWXGWKF-RYUDHWBXSA-N 0 0 227.392 3.754 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H](CC)C(C)(C)C ZINC000591787255 347699607 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/nfs/dbraw/zinc/69/95/61/347699561.db2.gz WDQCOYUSRRASBO-STQMWFEESA-N 0 0 241.419 4.000 20 0 BHADRN CC[C@H](NC(=O)c1sccc1C)C(C)(C)C ZINC000591789059 347699498 /nfs/dbraw/zinc/69/94/98/347699498.db2.gz AJDQDAJJRIVFIK-JTQLQIEISA-N 0 0 239.384 3.611 20 0 BHADRN CC[C@@H](NC(=O)c1sccc1C)C(C)(C)C ZINC000591789063 347699638 /nfs/dbraw/zinc/69/96/38/347699638.db2.gz AJDQDAJJRIVFIK-SNVBAGLBSA-N 0 0 239.384 3.611 20 0 BHADRN CC[C@@H](NC(=O)C1CCCCC1)C(C)(C)C ZINC000591789863 347695944 /nfs/dbraw/zinc/69/59/44/347695944.db2.gz GRPONNXZFRIROS-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](NC(=O)C1CCCCC1)C(C)(C)C ZINC000591789878 347696215 /nfs/dbraw/zinc/69/62/15/347696215.db2.gz GRPONNXZFRIROS-LBPRGKRZSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](NC(=O)c1ccccc1C)C(C)(C)C ZINC000591790417 347696163 /nfs/dbraw/zinc/69/61/63/347696163.db2.gz KRJDYCPKELCFJM-CYBMUJFWSA-N 0 0 233.355 3.550 20 0 BHADRN CC[C@H](NC(=O)c1ccccc1C)C(C)(C)C ZINC000591790422 347696159 /nfs/dbraw/zinc/69/61/59/347696159.db2.gz 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249.383 3.928 20 0 BHADRN CC[C@@H](NC(=O)Nc1ccccc1)C(C)(C)C ZINC000591821994 347701408 /nfs/dbraw/zinc/70/14/08/347701408.db2.gz HASXRTVHVSUGIN-GFCCVEGCSA-N 0 0 234.343 3.633 20 0 BHADRN CC[C@H](NC(=O)Nc1ccccc1)C(C)(C)C ZINC000591821995 347701346 /nfs/dbraw/zinc/70/13/46/347701346.db2.gz HASXRTVHVSUGIN-LBPRGKRZSA-N 0 0 234.343 3.633 20 0 BHADRN CC[C@@H](NC(=O)N[C@H](C)[C@@H](C)CC)C(C)(C)C ZINC000591825604 347702126 /nfs/dbraw/zinc/70/21/26/347702126.db2.gz ORENTUPFRGOAMQ-QJPTWQEYSA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@@H](NC(=O)N[C@@H](C)[C@@H](C)CC)C(C)(C)C ZINC000591825605 347702156 /nfs/dbraw/zinc/70/21/56/347702156.db2.gz ORENTUPFRGOAMQ-SDDRHHMPSA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)N[C@@H](CC)C(C)(C)C ZINC000591825606 347701918 /nfs/dbraw/zinc/70/19/18/347701918.db2.gz ORENTUPFRGOAMQ-SRVKXCTJSA-N 0 0 242.407 3.545 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](CC)C(C)(C)C ZINC000591825607 347702037 /nfs/dbraw/zinc/70/20/37/347702037.db2.gz 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CCCN(CC(C)C)C(=O)CC1=CCCCC1 ZINC000592591957 347801543 /nfs/dbraw/zinc/80/15/43/347801543.db2.gz YSOJIGVIAUPNRD-UHFFFAOYSA-N 0 0 237.387 3.772 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)CC1=CCCCC1 ZINC000592594860 347802185 /nfs/dbraw/zinc/80/21/85/347802185.db2.gz LLVUCVBWCCPNNM-GFCCVEGCSA-N 0 0 223.360 3.524 20 0 BHADRN CCC[C@H](C)N(C)C(=O)CC1=CCCCC1 ZINC000592594861 347802194 /nfs/dbraw/zinc/80/21/94/347802194.db2.gz LLVUCVBWCCPNNM-LBPRGKRZSA-N 0 0 223.360 3.524 20 0 BHADRN C[C@H]1CCCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC000592613325 347803548 /nfs/dbraw/zinc/80/35/48/347803548.db2.gz YJTMWYDZCKURKW-DZGCQCFKSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@@H]1CCCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC000592613327 347803637 /nfs/dbraw/zinc/80/36/37/347803637.db2.gz YJTMWYDZCKURKW-HIFRSBDPSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC000592613328 347803743 /nfs/dbraw/zinc/80/37/43/347803743.db2.gz YJTMWYDZCKURKW-UKRRQHHQSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@H]1CCCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC000592613329 347803769 /nfs/dbraw/zinc/80/37/69/347803769.db2.gz YJTMWYDZCKURKW-ZFWWWQNUSA-N 0 0 249.398 3.819 20 0 BHADRN CC(C)(C)[C@@H]1CCCN1C(=O)CC1=CCCCC1 ZINC000592628705 347804537 /nfs/dbraw/zinc/80/45/37/347804537.db2.gz WLSQZZUWOZZQLN-AWEZNQCLSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)(C)[C@H]1CCCN1C(=O)CC1=CCCCC1 ZINC000592628706 347804618 /nfs/dbraw/zinc/80/46/18/347804618.db2.gz WLSQZZUWOZZQLN-CQSZACIVSA-N 0 0 249.398 3.914 20 0 BHADRN CC[C@@H](NC(=O)CC1=CCCCC1)C(C)(C)C ZINC000592629765 347802777 /nfs/dbraw/zinc/80/27/77/347802777.db2.gz CUHSZLDLAWFHCZ-CYBMUJFWSA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@H](NC(=O)CC1=CCCCC1)C(C)(C)C ZINC000592629766 347802753 /nfs/dbraw/zinc/80/27/53/347802753.db2.gz CUHSZLDLAWFHCZ-ZDUSSCGKSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCCC(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000592661422 347804945 /nfs/dbraw/zinc/80/49/45/347804945.db2.gz LMWBNCIMRFPHEE-HNNXBMFYSA-N 0 0 245.366 3.679 20 0 BHADRN CCCCCC(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000592661424 347805227 /nfs/dbraw/zinc/80/52/27/347805227.db2.gz LMWBNCIMRFPHEE-OAHLLOKOSA-N 0 0 245.366 3.679 20 0 BHADRN Cc1ccc2c(c1)[C@@H](NC(=O)CCC(C)C)CC2 ZINC000592662280 347805815 /nfs/dbraw/zinc/80/58/15/347805815.db2.gz GYBRMDYDBBGYMJ-HNNXBMFYSA-N 0 0 245.366 3.535 20 0 BHADRN Cc1ccc2c(c1)[C@H](NC(=O)CCC(C)C)CC2 ZINC000592662294 347805732 /nfs/dbraw/zinc/80/57/32/347805732.db2.gz GYBRMDYDBBGYMJ-OAHLLOKOSA-N 0 0 245.366 3.535 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000592663984 347805801 /nfs/dbraw/zinc/80/58/01/347805801.db2.gz NLBJYTPMLBKDNV-DOMZBBRYSA-N 0 0 245.366 3.535 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000592663985 347805649 /nfs/dbraw/zinc/80/56/49/347805649.db2.gz NLBJYTPMLBKDNV-IUODEOHRSA-N 0 0 245.366 3.535 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000592663986 347805707 /nfs/dbraw/zinc/80/57/07/347805707.db2.gz NLBJYTPMLBKDNV-SWLSCSKDSA-N 0 0 245.366 3.535 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000592663987 347805746 /nfs/dbraw/zinc/80/57/46/347805746.db2.gz NLBJYTPMLBKDNV-WFASDCNBSA-N 0 0 245.366 3.535 20 0 BHADRN CCC(CC)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000592664005 347805756 /nfs/dbraw/zinc/80/57/56/347805756.db2.gz NPUOIFFIUTUUSA-HNNXBMFYSA-N 0 0 245.366 3.535 20 0 BHADRN CCC(CC)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000592664007 347805705 /nfs/dbraw/zinc/80/57/05/347805705.db2.gz NPUOIFFIUTUUSA-OAHLLOKOSA-N 0 0 245.366 3.535 20 0 BHADRN Cc1ccc2c(c1)[C@@H](NC(=O)CC(C)(C)C)CC2 ZINC000592664169 347805782 /nfs/dbraw/zinc/80/57/82/347805782.db2.gz OVTZOFGHBBUCFA-AWEZNQCLSA-N 0 0 245.366 3.535 20 0 BHADRN Cc1ccc2c(c1)[C@H](NC(=O)CC(C)(C)C)CC2 ZINC000592664170 347805663 /nfs/dbraw/zinc/80/56/63/347805663.db2.gz OVTZOFGHBBUCFA-CQSZACIVSA-N 0 0 245.366 3.535 20 0 BHADRN CCC(C)(C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000592665846 347806151 /nfs/dbraw/zinc/80/61/51/347806151.db2.gz XPJWYDYQTFPWPJ-AWEZNQCLSA-N 0 0 245.366 3.535 20 0 BHADRN CCC(C)(C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000592665847 347806079 /nfs/dbraw/zinc/80/60/79/347806079.db2.gz XPJWYDYQTFPWPJ-CQSZACIVSA-N 0 0 245.366 3.535 20 0 BHADRN CCC1(C)CCN(C(=O)CC2=CCCCC2)CC1 ZINC000592754442 385577645 /nfs/dbraw/zinc/57/76/45/385577645.db2.gz FXXXPYPLHXLOBA-UHFFFAOYSA-N 0 0 249.398 3.916 20 0 BHADRN CCCSCc1cccc(-c2c[nH]cn2)c1 ZINC000592984877 347836401 /nfs/dbraw/zinc/83/64/01/347836401.db2.gz BQNYUHJVWKXJBE-UHFFFAOYSA-N 0 0 232.352 3.720 20 0 BHADRN CSCc1cccc(-c2nc(C)co2)c1 ZINC000592984895 347836385 /nfs/dbraw/zinc/83/63/85/347836385.db2.gz CCEVJTPIGXUKIJ-UHFFFAOYSA-N 0 0 219.309 3.513 20 0 BHADRN CCCSCc1cccc(-c2ncc[nH]2)c1 ZINC000592984915 347836183 /nfs/dbraw/zinc/83/61/83/347836183.db2.gz CUYWYWPEPDLSNN-UHFFFAOYSA-N 0 0 232.352 3.720 20 0 BHADRN CCCSCc1cccc(-c2nnc(C)o2)c1 ZINC000592984926 347836139 /nfs/dbraw/zinc/83/61/39/347836139.db2.gz CYRLHSJMYNKOFO-UHFFFAOYSA-N 0 0 248.351 3.688 20 0 BHADRN CCCSCc1cccc(-c2cnccn2)c1 ZINC000592985942 347836894 /nfs/dbraw/zinc/83/68/94/347836894.db2.gz JBXTUGCKRPHHFE-UHFFFAOYSA-N 0 0 244.363 3.787 20 0 BHADRN CSCc1cccc(-c2c(C)n[nH]c2C)c1 ZINC000592986020 347836832 /nfs/dbraw/zinc/83/68/32/347836832.db2.gz KISOMZXHEGVUKW-UHFFFAOYSA-N 0 0 232.352 3.557 20 0 BHADRN CSCc1cccc(-c2c(C)noc2C)c1 ZINC000592986059 347836870 /nfs/dbraw/zinc/83/68/70/347836870.db2.gz KSLPZLSZYWMIBQ-UHFFFAOYSA-N 0 0 233.336 3.821 20 0 BHADRN COC(=O)C[C@@H](C)c1ccc(-c2ccco2)cc1 ZINC000592986188 347836770 /nfs/dbraw/zinc/83/67/70/347836770.db2.gz XKFWTKIBMMUGSO-LLVKDONJSA-N 0 0 244.290 3.613 20 0 BHADRN COC(=O)C[C@H](C)c1ccc(-c2ccco2)cc1 ZINC000592986204 347836859 /nfs/dbraw/zinc/83/68/59/347836859.db2.gz XKFWTKIBMMUGSO-NSHDSACASA-N 0 0 244.290 3.613 20 0 BHADRN CCCSCc1cccc(-c2cnn(C)c2)c1 ZINC000592986816 347836929 /nfs/dbraw/zinc/83/69/29/347836929.db2.gz QUQPJAGFMLUDRJ-UHFFFAOYSA-N 0 0 246.379 3.730 20 0 BHADRN CSCc1cccc(-c2cnc(C)s2)c1 ZINC000592986866 347836914 /nfs/dbraw/zinc/83/69/14/347836914.db2.gz RSWUKJUUJKOSGH-UHFFFAOYSA-N 0 0 235.377 3.982 20 0 BHADRN CCCSCc1cccc(-c2cncn2C)c1 ZINC000592986876 347836833 /nfs/dbraw/zinc/83/68/33/347836833.db2.gz SBCVHWGBBBBSGB-UHFFFAOYSA-N 0 0 246.379 3.730 20 0 BHADRN CCCSCc1cccc(-c2ncccn2)c1 ZINC000592987071 347836840 /nfs/dbraw/zinc/83/68/40/347836840.db2.gz UOVHTNJSQJXUJY-UHFFFAOYSA-N 0 0 244.363 3.787 20 0 BHADRN CSCc1ccc(-c2c(C)noc2C)cc1 ZINC000592987133 347836920 /nfs/dbraw/zinc/83/69/20/347836920.db2.gz PTYKGTSINQMOEP-UHFFFAOYSA-N 0 0 233.336 3.821 20 0 BHADRN CSCc1cccc(-c2cnoc2C)c1 ZINC000592987163 347836801 /nfs/dbraw/zinc/83/68/01/347836801.db2.gz VUZCTZKHDSLUBV-UHFFFAOYSA-N 0 0 219.309 3.513 20 0 BHADRN CCCSCc1cccc(-c2cncnc2)c1 ZINC000592987318 347836878 /nfs/dbraw/zinc/83/68/78/347836878.db2.gz YCQJYZLGKPKNKC-UHFFFAOYSA-N 0 0 244.363 3.787 20 0 BHADRN COC(=O)C[C@@H](C)c1ccc(-c2ccoc2)cc1 ZINC000592988104 347837225 /nfs/dbraw/zinc/83/72/25/347837225.db2.gz FKSUPGOGLJAIKP-LLVKDONJSA-N 0 0 244.290 3.613 20 0 BHADRN COC(=O)C[C@H](C)c1ccc(-c2ccoc2)cc1 ZINC000592988107 347837169 /nfs/dbraw/zinc/83/71/69/347837169.db2.gz FKSUPGOGLJAIKP-NSHDSACASA-N 0 0 244.290 3.613 20 0 BHADRN CSCc1ccc(-c2cnoc2C)cc1 ZINC000592988548 347837343 /nfs/dbraw/zinc/83/73/43/347837343.db2.gz JULFYXBJRAHOFL-UHFFFAOYSA-N 0 0 219.309 3.513 20 0 BHADRN CCCCC[S@](=O)c1nc(C(C)C)cs1 ZINC000593005448 347840469 /nfs/dbraw/zinc/84/04/69/347840469.db2.gz PWQGFZVKLNGHLJ-HNNXBMFYSA-N 0 0 245.413 3.564 20 0 BHADRN CCCCC[S@@](=O)c1nc(C(C)C)cs1 ZINC000593005449 347840274 /nfs/dbraw/zinc/84/02/74/347840274.db2.gz PWQGFZVKLNGHLJ-OAHLLOKOSA-N 0 0 245.413 3.564 20 0 BHADRN CC[C@@H](C)C[S@@](=O)c1ccc(Cl)c(F)c1 ZINC000593006680 347840783 /nfs/dbraw/zinc/84/07/83/347840783.db2.gz IJMPCACEALHMLU-ANRSDYALSA-N 0 0 248.750 3.633 20 0 BHADRN CC[C@H](C)C[S@](=O)c1ccc(Cl)c(F)c1 ZINC000593006684 347840771 /nfs/dbraw/zinc/84/07/71/347840771.db2.gz IJMPCACEALHMLU-AYVTZFPOSA-N 0 0 248.750 3.633 20 0 BHADRN CC[C@@H](C)C[S@](=O)c1ccc(Cl)c(F)c1 ZINC000593006685 347840870 /nfs/dbraw/zinc/84/08/70/347840870.db2.gz IJMPCACEALHMLU-GLEZIHRCSA-N 0 0 248.750 3.633 20 0 BHADRN CC[C@H](C)C[S@@](=O)c1ccc(Cl)c(F)c1 ZINC000593006686 347840852 /nfs/dbraw/zinc/84/08/52/347840852.db2.gz IJMPCACEALHMLU-VXJOIVPMSA-N 0 0 248.750 3.633 20 0 BHADRN CCCCC[S@](=O)c1ccc(Cl)c(F)c1 ZINC000593009999 347841321 /nfs/dbraw/zinc/84/13/21/347841321.db2.gz WRMGNBARVRRYGD-HNNXBMFYSA-N 0 0 248.750 3.777 20 0 BHADRN CCCCC[S@@](=O)c1ccc(Cl)c(F)c1 ZINC000593010000 347841565 /nfs/dbraw/zinc/84/15/65/347841565.db2.gz WRMGNBARVRRYGD-OAHLLOKOSA-N 0 0 248.750 3.777 20 0 BHADRN CCSCCNc1cc(C(F)F)ccc1F ZINC000593180086 347868719 /nfs/dbraw/zinc/86/87/19/347868719.db2.gz WRJSFAYBMCIZHP-UHFFFAOYSA-N 0 0 249.301 3.928 20 0 BHADRN CCCSCc1cc(OC(C)C)ccn1 ZINC000593186938 541377688 /nfs/dbraw/zinc/37/76/88/541377688.db2.gz AVJSEQYEHJQAGX-UHFFFAOYSA-N 0 0 225.357 3.512 20 0 BHADRN CC[C@@H](OCCSC)c1ccccc1 ZINC000593187297 491074100 /nfs/dbraw/zinc/07/41/00/491074100.db2.gz IYLMOSBKJZOYSU-GFCCVEGCSA-N 0 0 210.342 3.517 20 0 BHADRN CC[C@H](OCCSC)c1ccccc1 ZINC000593187298 491074106 /nfs/dbraw/zinc/07/41/06/491074106.db2.gz IYLMOSBKJZOYSU-LBPRGKRZSA-N 0 0 210.342 3.517 20 0 BHADRN CCSCCO[C@H](CC)c1ccccc1 ZINC000593187765 347869522 /nfs/dbraw/zinc/86/95/22/347869522.db2.gz SDPCKNAFDSUZBX-CYBMUJFWSA-N 0 0 224.369 3.907 20 0 BHADRN CCSCCO[C@@H](CC)c1ccccc1 ZINC000593187766 347869664 /nfs/dbraw/zinc/86/96/64/347869664.db2.gz SDPCKNAFDSUZBX-ZDUSSCGKSA-N 0 0 224.369 3.907 20 0 BHADRN C/C=C\CSCc1cc(OC(C)C)ccn1 ZINC000593188714 347869714 /nfs/dbraw/zinc/86/97/14/347869714.db2.gz OIQKLUPBBZRSIA-PLNGDYQASA-N 0 0 237.368 3.678 20 0 BHADRN C/C=C/CSCc1cc(OC(C)C)ccn1 ZINC000593188715 347869678 /nfs/dbraw/zinc/86/96/78/347869678.db2.gz OIQKLUPBBZRSIA-SNAWJCMRSA-N 0 0 237.368 3.678 20 0 BHADRN CC(C)Oc1ccnc(CSC(C)C)c1 ZINC000593188890 347869638 /nfs/dbraw/zinc/86/96/38/347869638.db2.gz RSGRFIFIUCVQOY-UHFFFAOYSA-N 0 0 225.357 3.510 20 0 BHADRN CCCCCSCc1cc2n(n1)CCCC2 ZINC000593189265 347869794 /nfs/dbraw/zinc/86/97/94/347869794.db2.gz ZKAOPSJXHQTXJE-UHFFFAOYSA-N 0 0 238.400 3.643 20 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245.338 3.637 20 0 BHADRN Cc1cccc(N[C@H](C)CSCCF)c1F ZINC000595027820 348173363 /nfs/dbraw/zinc/17/33/63/348173363.db2.gz QPCJEHNWKPWVFZ-SNVBAGLBSA-N 0 0 245.338 3.637 20 0 BHADRN Cc1ccc(N[C@@H](C)CSCCF)c(F)c1 ZINC000595028196 348174045 /nfs/dbraw/zinc/17/40/45/348174045.db2.gz BGBDZLKCKIRZGH-JTQLQIEISA-N 0 0 245.338 3.637 20 0 BHADRN Cc1ccc(N[C@H](C)CSCCF)c(F)c1 ZINC000595028197 348173875 /nfs/dbraw/zinc/17/38/75/348173875.db2.gz BGBDZLKCKIRZGH-SNVBAGLBSA-N 0 0 245.338 3.637 20 0 BHADRN CCc1ccccc1N[C@H](C)CSCCF ZINC000595028643 348173743 /nfs/dbraw/zinc/17/37/43/348173743.db2.gz WEERLIXZSSXDBT-LLVKDONJSA-N 0 0 241.375 3.752 20 0 BHADRN CCc1ccccc1N[C@@H](C)CSCCF ZINC000595028644 348174058 /nfs/dbraw/zinc/17/40/58/348174058.db2.gz WEERLIXZSSXDBT-NSHDSACASA-N 0 0 241.375 3.752 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)CSCCF)c1 ZINC000595029163 348173792 /nfs/dbraw/zinc/17/37/92/348173792.db2.gz IJPBXZMYRXDXNP-JTQLQIEISA-N 0 0 245.338 3.637 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)CSCCF)c1 ZINC000595029164 348174121 /nfs/dbraw/zinc/17/41/21/348174121.db2.gz IJPBXZMYRXDXNP-SNVBAGLBSA-N 0 0 245.338 3.637 20 0 BHADRN Cc1cscc1N[C@H](C)CSCCF ZINC000595029183 348173909 /nfs/dbraw/zinc/17/39/09/348173909.db2.gz IUHTVRZGRIADAU-SECBINFHSA-N 0 0 233.377 3.560 20 0 BHADRN Cc1cscc1N[C@@H](C)CSCCF ZINC000595029184 348174126 /nfs/dbraw/zinc/17/41/26/348174126.db2.gz IUHTVRZGRIADAU-VIFPVBQESA-N 0 0 233.377 3.560 20 0 BHADRN Cc1cc(C)cc(N[C@H](C)CSCCF)c1 ZINC000595029209 348173845 /nfs/dbraw/zinc/17/38/45/348173845.db2.gz XFILHPNQICWNSJ-GFCCVEGCSA-N 0 0 241.375 3.807 20 0 BHADRN Cc1cc(C)cc(N[C@@H](C)CSCCF)c1 ZINC000595029210 348173986 /nfs/dbraw/zinc/17/39/86/348173986.db2.gz XFILHPNQICWNSJ-LBPRGKRZSA-N 0 0 241.375 3.807 20 0 BHADRN CCc1cccc(N[C@H](C)CSCCF)c1 ZINC000595029262 348173729 /nfs/dbraw/zinc/17/37/29/348173729.db2.gz YFFUZDSXJOSGDH-LLVKDONJSA-N 0 0 241.375 3.752 20 0 BHADRN CCc1cccc(N[C@@H](C)CSCCF)c1 ZINC000595029263 348174019 /nfs/dbraw/zinc/17/40/19/348174019.db2.gz 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O=c1oc2cc(Cl)ccc2n1[C@H]1C=CCCC1 ZINC000595153642 397983126 /nfs/dbraw/zinc/98/31/26/397983126.db2.gz SQIMFPGRUAMRHN-JTQLQIEISA-N 0 0 249.697 3.529 20 0 BHADRN O=c1oc2cc(Cl)ccc2n1[C@@H]1C=CCCC1 ZINC000595153643 397983156 /nfs/dbraw/zinc/98/31/56/397983156.db2.gz SQIMFPGRUAMRHN-SNVBAGLBSA-N 0 0 249.697 3.529 20 0 BHADRN Cc1cc(C)cc(C(=O)NCC2(C)CCCC2)c1 ZINC000595322930 348226557 /nfs/dbraw/zinc/22/65/57/348226557.db2.gz NGCILCHUXQUAKB-UHFFFAOYSA-N 0 0 245.366 3.614 20 0 BHADRN CCCC[C@@H](CC)C(=O)NCC1(C)CCCC1 ZINC000595322953 348226669 /nfs/dbraw/zinc/22/66/69/348226669.db2.gz SQVMMVACXOVWOJ-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCCC[C@H](CC)C(=O)NCC1(C)CCCC1 ZINC000595322954 348226566 /nfs/dbraw/zinc/22/65/66/348226566.db2.gz SQVMMVACXOVWOJ-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN CC1(CNC(=O)C2CCCCCC2)CCCC1 ZINC000595325664 348226534 /nfs/dbraw/zinc/22/65/34/348226534.db2.gz HPDFIOPBSGEWSC-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCc1ccc(C(=O)NCC2(C)CCCC2)cc1 ZINC000595327163 348227452 /nfs/dbraw/zinc/22/74/52/348227452.db2.gz QIXFFZDPNHGZRU-UHFFFAOYSA-N 0 0 245.366 3.559 20 0 BHADRN CC1(CNC(=O)CC2CCCCC2)CCCC1 ZINC000595328974 348227443 /nfs/dbraw/zinc/22/74/43/348227443.db2.gz DYIIDWZXXFGDRL-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CC(C)(C)CCCC(=O)NCC1(C)CCCC1 ZINC000595329009 348227295 /nfs/dbraw/zinc/22/72/95/348227295.db2.gz LASXRJOTYWUUFT-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN Cc1cccc(N(C)[C@@H]2C=CCCC2)c1 ZINC000595564918 348282809 /nfs/dbraw/zinc/28/28/09/348282809.db2.gz UAZZJBUDUSHXCA-CYBMUJFWSA-N 0 0 201.313 3.540 20 0 BHADRN Cc1cccc(N(C)[C@H]2C=CCCC2)c1 ZINC000595564925 348282819 /nfs/dbraw/zinc/28/28/19/348282819.db2.gz UAZZJBUDUSHXCA-ZDUSSCGKSA-N 0 0 201.313 3.540 20 0 BHADRN c1coc(CSC[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000596013373 348430006 /nfs/dbraw/zinc/43/00/06/348430006.db2.gz ZZEJBDQUNIQRQU-JGPRNRPPSA-N 0 0 208.326 3.559 20 0 BHADRN CC(=O)CSCc1cccc(C(C)C)c1 ZINC000596019185 348423107 /nfs/dbraw/zinc/42/31/07/348423107.db2.gz 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3.612 20 0 BHADRN CC(C)(C)OCCSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000596333653 348496982 /nfs/dbraw/zinc/49/69/82/348496982.db2.gz BSIPGTCWPDMAQH-ZSBIGDGJSA-N 0 0 228.401 3.581 20 0 BHADRN CC(C)=CCCSCCOC(C)(C)C ZINC000596333663 348496844 /nfs/dbraw/zinc/49/68/44/348496844.db2.gz BWFFLHZWCRAIIJ-UHFFFAOYSA-N 0 0 216.390 3.891 20 0 BHADRN C[C@@H](O)CCS[C@@H](C)c1cc(F)ccc1F ZINC000596333863 348496778 /nfs/dbraw/zinc/49/67/78/348496778.db2.gz MILQPHNNFHGMFD-BDAKNGLRSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@@H](SCC[C@H](C)O)c1cc(F)ccc1F ZINC000596333864 348497017 /nfs/dbraw/zinc/49/70/17/348497017.db2.gz MILQPHNNFHGMFD-DTWKUNHWSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@H](O)CCS[C@@H](C)c1cc(F)ccc1F ZINC000596333865 348496885 /nfs/dbraw/zinc/49/68/85/348496885.db2.gz MILQPHNNFHGMFD-IUCAKERBSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@@H](O)CCS[C@H](C)c1cc(F)ccc1F ZINC000596333866 348497157 /nfs/dbraw/zinc/49/71/57/348497157.db2.gz MILQPHNNFHGMFD-RKDXNWHRSA-N 0 0 246.322 3.530 20 0 BHADRN 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348496825 /nfs/dbraw/zinc/49/68/25/348496825.db2.gz RNPMLBMBIDKGGW-BDAKNGLRSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@@H](SCC[C@H](C)O)c1ccc(F)cc1F ZINC000596334808 348496869 /nfs/dbraw/zinc/49/68/69/348496869.db2.gz RNPMLBMBIDKGGW-DTWKUNHWSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@H](O)CCS[C@@H](C)c1ccc(F)cc1F ZINC000596334809 348496972 /nfs/dbraw/zinc/49/69/72/348496972.db2.gz RNPMLBMBIDKGGW-IUCAKERBSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@@H](O)CCS[C@H](C)c1ccc(F)cc1F ZINC000596334810 348497004 /nfs/dbraw/zinc/49/70/04/348497004.db2.gz RNPMLBMBIDKGGW-RKDXNWHRSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@@H](O)CCS[C@@H](C)c1ccc(F)c(F)c1 ZINC000596334901 348496854 /nfs/dbraw/zinc/49/68/54/348496854.db2.gz TYVFNCMPJIHMMC-BDAKNGLRSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@@H](SCC[C@H](C)O)c1ccc(F)c(F)c1 ZINC000596334902 348497110 /nfs/dbraw/zinc/49/71/10/348497110.db2.gz TYVFNCMPJIHMMC-DTWKUNHWSA-N 0 0 246.322 3.530 20 0 BHADRN C[C@H](O)CCS[C@@H](C)c1ccc(F)c(F)c1 ZINC000596334903 348496791 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CCCCN(Cc1ccccc1F)CC(F)F ZINC000603412459 349961491 /nfs/dbraw/zinc/96/14/91/349961491.db2.gz RTCGCIDJTMOSRD-UHFFFAOYSA-N 0 0 245.288 3.693 20 0 BHADRN CCN(CC(F)F)c1cccc2ccccc21 ZINC000603413302 349962372 /nfs/dbraw/zinc/96/23/72/349962372.db2.gz KVZSMOXLLGRRSP-UHFFFAOYSA-N 0 0 235.277 3.931 20 0 BHADRN CC(C)c1ccc(C(C)(C)NCC(F)F)cc1 ZINC000603416202 349963543 /nfs/dbraw/zinc/96/35/43/349963543.db2.gz DOUXLBHXWIRATI-UHFFFAOYSA-N 0 0 241.325 3.900 20 0 BHADRN Cc1ccccc1[C@H](C(C)C)N(C)CC(F)F ZINC000603416242 349963526 /nfs/dbraw/zinc/96/35/26/349963526.db2.gz LDPVWMUJEGMCGO-AWEZNQCLSA-N 0 0 241.325 3.889 20 0 BHADRN Cc1ccccc1[C@@H](C(C)C)N(C)CC(F)F ZINC000603416246 349963984 /nfs/dbraw/zinc/96/39/84/349963984.db2.gz LDPVWMUJEGMCGO-CQSZACIVSA-N 0 0 241.325 3.889 20 0 BHADRN FC(F)CN(c1ccccc1)C1CCCC1 ZINC000603416338 349963879 /nfs/dbraw/zinc/96/38/79/349963879.db2.gz YCIHHSOAYSAXCR-UHFFFAOYSA-N 0 0 225.282 3.701 20 0 BHADRN C[C@@H](SCc1ccno1)c1ccccc1 ZINC000603441849 349970138 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CCC[C@@H](CC1CCCCC1)C(=O)NC(C)C ZINC000603462369 349976871 /nfs/dbraw/zinc/97/68/71/349976871.db2.gz NUNVRYQBGPFYQU-AWEZNQCLSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](CC1CCCCC1)C(=O)NC(C)C ZINC000603462370 349977069 /nfs/dbraw/zinc/97/70/69/349977069.db2.gz NUNVRYQBGPFYQU-CQSZACIVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCN(C(=O)CSC(C)C)[C@H](C)CC ZINC000603559636 349993666 /nfs/dbraw/zinc/99/36/66/349993666.db2.gz GVFJVBLDYMAXKD-GFCCVEGCSA-N 0 0 245.432 3.555 20 0 BHADRN CCCCN(C(=O)CSC(C)C)[C@@H](C)CC ZINC000603559637 349993640 /nfs/dbraw/zinc/99/36/40/349993640.db2.gz GVFJVBLDYMAXKD-LBPRGKRZSA-N 0 0 245.432 3.555 20 0 BHADRN CCCCCN(C(=O)CSC(C)C)C(C)C ZINC000603569244 349995862 /nfs/dbraw/zinc/99/58/62/349995862.db2.gz KYJDHLWBCYDEIF-UHFFFAOYSA-N 0 0 245.432 3.555 20 0 BHADRN CCC/C=C/c1nc(-c2ccccc2)no1 ZINC000603629528 350003394 /nfs/dbraw/zinc/00/33/94/350003394.db2.gz XPXUGCHYPSYMEY-BJMVGYQFSA-N 0 0 214.268 3.550 20 0 BHADRN CCC/C=C\c1nc(-c2ccccc2)no1 ZINC000603629529 350003512 /nfs/dbraw/zinc/00/35/12/350003512.db2.gz XPXUGCHYPSYMEY-YHYXMXQVSA-N 0 0 214.268 3.550 20 0 BHADRN CCC/C=C\c1nc(-c2cccs2)no1 ZINC000603629714 350003845 /nfs/dbraw/zinc/00/38/45/350003845.db2.gz WQTAVMGZMBJJHR-DAXSKMNVSA-N 0 0 220.297 3.611 20 0 BHADRN CCC/C=C/c1nc(-c2cccs2)no1 ZINC000603629715 350003363 /nfs/dbraw/zinc/00/33/63/350003363.db2.gz WQTAVMGZMBJJHR-QPJJXVBHSA-N 0 0 220.297 3.611 20 0 BHADRN CCC/C=C\c1nc(-c2ccc(F)cc2)no1 ZINC000603629896 350003612 /nfs/dbraw/zinc/00/36/12/350003612.db2.gz REXJCEWFASCMDP-PLNGDYQASA-N 0 0 232.258 3.689 20 0 BHADRN CCC/C=C/c1nc(-c2ccc(F)cc2)no1 ZINC000603629897 350003743 /nfs/dbraw/zinc/00/37/43/350003743.db2.gz REXJCEWFASCMDP-SNAWJCMRSA-N 0 0 232.258 3.689 20 0 BHADRN CCC/C=C/c1nc(-c2ccccc2OC)no1 ZINC000603630014 350003856 /nfs/dbraw/zinc/00/38/56/350003856.db2.gz QQHBTMARAMKKNW-BJMVGYQFSA-N 0 0 244.294 3.559 20 0 BHADRN CCC/C=C\c1nc(-c2ccccc2OC)no1 ZINC000603630015 350003657 /nfs/dbraw/zinc/00/36/57/350003657.db2.gz QQHBTMARAMKKNW-YHYXMXQVSA-N 0 0 244.294 3.559 20 0 BHADRN CCC/C=C\c1nc(-c2ccsc2)no1 ZINC000603630761 350003840 /nfs/dbraw/zinc/00/38/40/350003840.db2.gz SJUYTQVYGFTIRW-PLNGDYQASA-N 0 0 220.297 3.611 20 0 BHADRN CCC/C=C/c1nc(-c2ccsc2)no1 ZINC000603630762 350003828 /nfs/dbraw/zinc/00/38/28/350003828.db2.gz SJUYTQVYGFTIRW-SNAWJCMRSA-N 0 0 220.297 3.611 20 0 BHADRN CCC/C=C/c1nc(-c2ccc(C)c(F)c2)no1 ZINC000603630883 350003570 /nfs/dbraw/zinc/00/35/70/350003570.db2.gz CDGKDKQNKWILGY-AATRIKPKSA-N 0 0 246.285 3.997 20 0 BHADRN CCC/C=C\c1nc(-c2ccc(C)c(F)c2)no1 ZINC000603630884 350003325 /nfs/dbraw/zinc/00/33/25/350003325.db2.gz CDGKDKQNKWILGY-WAYWQWQTSA-N 0 0 246.285 3.997 20 0 BHADRN CCC/C=C\c1nc(Cc2cccs2)no1 ZINC000603632519 350004320 /nfs/dbraw/zinc/00/43/20/350004320.db2.gz PUJOIIMGIHLUSG-DAXSKMNVSA-N 0 0 234.324 3.535 20 0 BHADRN CCC/C=C/c1nc(Cc2cccs2)no1 ZINC000603632520 350004546 /nfs/dbraw/zinc/00/45/46/350004546.db2.gz PUJOIIMGIHLUSG-QPJJXVBHSA-N 0 0 234.324 3.535 20 0 BHADRN C[C@@H](Cc1nc(C(C)(C)C)no1)CC(C)(C)C ZINC000603633353 350004496 /nfs/dbraw/zinc/00/44/96/350004496.db2.gz ZFIYBFLDABAEGW-JTQLQIEISA-N 0 0 238.375 3.982 20 0 BHADRN C[C@H](Cc1nc(C(C)(C)C)no1)CC(C)(C)C ZINC000603633354 350004502 /nfs/dbraw/zinc/00/45/02/350004502.db2.gz ZFIYBFLDABAEGW-SNVBAGLBSA-N 0 0 238.375 3.982 20 0 BHADRN CCC/C=C/c1nc(C2CCCC2)no1 ZINC000603633366 350004204 /nfs/dbraw/zinc/00/42/04/350004204.db2.gz FKPPIPMJRAMMGK-RUDMXATFSA-N 0 0 206.289 3.541 20 0 BHADRN CCC/C=C\c1nc(C2CCCC2)no1 ZINC000603633367 350004564 /nfs/dbraw/zinc/00/45/64/350004564.db2.gz FKPPIPMJRAMMGK-WTKPLQERSA-N 0 0 206.289 3.541 20 0 BHADRN CCC/C=C/c1nc(-c2ccc(OC)cc2)no1 ZINC000603633532 350004624 /nfs/dbraw/zinc/00/46/24/350004624.db2.gz QJBFGKCJQHWEGW-AATRIKPKSA-N 0 0 244.294 3.559 20 0 BHADRN CCC/C=C\c1nc(-c2ccc(OC)cc2)no1 ZINC000603633533 350004453 /nfs/dbraw/zinc/00/44/53/350004453.db2.gz QJBFGKCJQHWEGW-WAYWQWQTSA-N 0 0 244.294 3.559 20 0 BHADRN Cc1cc(-c2nc(C3CCCCC3)no2)c(C)[nH]1 ZINC000603633569 350004638 /nfs/dbraw/zinc/00/46/38/350004638.db2.gz MTIYIOVGUBBJII-UHFFFAOYSA-N 0 0 245.326 3.729 20 0 BHADRN CCC/C=C/c1nc(C2CCCCC2)no1 ZINC000603633583 350004597 /nfs/dbraw/zinc/00/45/97/350004597.db2.gz UMZNEDBUJZVWDZ-BJMVGYQFSA-N 0 0 220.316 3.931 20 0 BHADRN CCC/C=C\c1nc(C2CCCCC2)no1 ZINC000603633584 350004326 /nfs/dbraw/zinc/00/43/26/350004326.db2.gz UMZNEDBUJZVWDZ-YHYXMXQVSA-N 0 0 220.316 3.931 20 0 BHADRN C[C@H](Cc1nc(C2CC2)no1)CC(C)(C)C ZINC000603633779 350002505 /nfs/dbraw/zinc/00/25/05/350002505.db2.gz MLAVBXJLIOIEHN-SECBINFHSA-N 0 0 222.332 3.562 20 0 BHADRN C[C@@H](Cc1nc(C2CC2)no1)CC(C)(C)C ZINC000603633780 350002497 /nfs/dbraw/zinc/00/24/97/350002497.db2.gz MLAVBXJLIOIEHN-VIFPVBQESA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)Cc1ccc(-c2nc(C3CC3)no2)cc1 ZINC000603633800 350002488 /nfs/dbraw/zinc/00/24/88/350002488.db2.gz YHLMDSRDRMNGJH-UHFFFAOYSA-N 0 0 242.322 3.813 20 0 BHADRN CCC/C=C/c1nc(-c2ccc(F)c(C)c2)no1 ZINC000603634836 350007237 /nfs/dbraw/zinc/00/72/37/350007237.db2.gz CEFMSPUNJZEAAT-AATRIKPKSA-N 0 0 246.285 3.997 20 0 BHADRN CCC/C=C\c1nc(-c2ccc(F)c(C)c2)no1 ZINC000603634837 350007118 /nfs/dbraw/zinc/00/71/18/350007118.db2.gz CEFMSPUNJZEAAT-WAYWQWQTSA-N 0 0 246.285 3.997 20 0 BHADRN CCC/C=C/c1nc(-c2cccc(F)c2)no1 ZINC000603637066 350007356 /nfs/dbraw/zinc/00/73/56/350007356.db2.gz PTAWRUYRUQIDNX-XBXARRHUSA-N 0 0 232.258 3.689 20 0 BHADRN CCC/C=C\c1nc(-c2cccc(F)c2)no1 ZINC000603637067 350007316 /nfs/dbraw/zinc/00/73/16/350007316.db2.gz PTAWRUYRUQIDNX-YWEYNIOJSA-N 0 0 232.258 3.689 20 0 BHADRN CCC/C=C/c1nc(-c2ccc(C)cc2)no1 ZINC000603639338 350005033 /nfs/dbraw/zinc/00/50/33/350005033.db2.gz XOAZZOFLFVKHNW-AATRIKPKSA-N 0 0 228.295 3.858 20 0 BHADRN CCC/C=C\c1nc(-c2ccc(C)cc2)no1 ZINC000603639339 350005311 /nfs/dbraw/zinc/00/53/11/350005311.db2.gz XOAZZOFLFVKHNW-WAYWQWQTSA-N 0 0 228.295 3.858 20 0 BHADRN CCC/C=C/c1nc(-c2ccccc2C)no1 ZINC000603639398 350005077 /nfs/dbraw/zinc/00/50/77/350005077.db2.gz UZOPPSVNBYZHHI-BJMVGYQFSA-N 0 0 228.295 3.858 20 0 BHADRN CCC/C=C\c1nc(-c2ccccc2C)no1 ZINC000603639399 350005348 /nfs/dbraw/zinc/00/53/48/350005348.db2.gz UZOPPSVNBYZHHI-YHYXMXQVSA-N 0 0 228.295 3.858 20 0 BHADRN CCCCCOc1ccc(-c2nc(C)no2)cc1 ZINC000603641363 350006011 /nfs/dbraw/zinc/00/60/11/350006011.db2.gz GRTVNRVASCFRIG-UHFFFAOYSA-N 0 0 246.310 3.614 20 0 BHADRN Cc1noc(/C=C/c2ccc(C(C)(C)C)cc2)n1 ZINC000603641460 350005926 /nfs/dbraw/zinc/00/59/26/350005926.db2.gz WRPORYAUFZFPMQ-JXMROGBWSA-N 0 0 242.322 3.846 20 0 BHADRN Cc1noc(/C=C\c2ccc(C(C)(C)C)cc2)n1 ZINC000603641461 350005820 /nfs/dbraw/zinc/00/58/20/350005820.db2.gz WRPORYAUFZFPMQ-YFHOEESVSA-N 0 0 242.322 3.846 20 0 BHADRN CCC/C=C/c1nc(CCc2ccccc2)no1 ZINC000603641763 350005754 /nfs/dbraw/zinc/00/57/54/350005754.db2.gz VHORWVLTSWJMDH-BJMVGYQFSA-N 0 0 242.322 3.668 20 0 BHADRN CCC/C=C\c1nc(CCc2ccccc2)no1 ZINC000603641764 350005804 /nfs/dbraw/zinc/00/58/04/350005804.db2.gz VHORWVLTSWJMDH-YHYXMXQVSA-N 0 0 242.322 3.668 20 0 BHADRN CCC/C=C\c1nc(Cc2ccc(F)cc2)no1 ZINC000603644122 350006050 /nfs/dbraw/zinc/00/60/50/350006050.db2.gz CUCCCOGMCRFQML-PLNGDYQASA-N 0 0 246.285 3.613 20 0 BHADRN CCC/C=C/c1nc(Cc2ccc(F)cc2)no1 ZINC000603644123 350005910 /nfs/dbraw/zinc/00/59/10/350005910.db2.gz CUCCCOGMCRFQML-SNAWJCMRSA-N 0 0 246.285 3.613 20 0 BHADRN Cc1cccc(C2(NCC(F)F)CCCC2)c1 ZINC000603709996 350013757 /nfs/dbraw/zinc/01/37/57/350013757.db2.gz GUKCJERIBVTHPK-UHFFFAOYSA-N 0 0 239.309 3.619 20 0 BHADRN CCCCCSCCOc1ccccc1 ZINC000603722102 350016641 /nfs/dbraw/zinc/01/66/41/350016641.db2.gz GJRSKXZFQDIVMN-UHFFFAOYSA-N 0 0 224.369 3.989 20 0 BHADRN COc1ccc(CCSC2CCCC2)cc1 ZINC000603823593 350040863 /nfs/dbraw/zinc/04/08/63/350040863.db2.gz DENSHBDZNKBCJI-UHFFFAOYSA-N 0 0 236.380 3.914 20 0 BHADRN Fc1ccc(OCCSC2CCCC2)cc1 ZINC000603824492 350041164 /nfs/dbraw/zinc/04/11/64/350041164.db2.gz FIOSBZIMKHYBPZ-UHFFFAOYSA-N 0 0 240.343 3.880 20 0 BHADRN CCC[C@H](C)NC(=O)[C@H](CC)CC1CCCC1 ZINC000603824725 350040700 /nfs/dbraw/zinc/04/07/00/350040700.db2.gz BCACDMPJTQAAAN-GXTWGEPZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](C)NC(=O)[C@@H](CC)CC1CCCC1 ZINC000603824726 350041182 /nfs/dbraw/zinc/04/11/82/350041182.db2.gz BCACDMPJTQAAAN-JSGCOSHPSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](C)NC(=O)[C@@H](CC)CC1CCCC1 ZINC000603824727 350041153 /nfs/dbraw/zinc/04/11/53/350041153.db2.gz BCACDMPJTQAAAN-OCCSQVGLSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](C)NC(=O)[C@H](CC)CC1CCCC1 ZINC000603824728 350040601 /nfs/dbraw/zinc/04/06/01/350040601.db2.gz BCACDMPJTQAAAN-TZMCWYRMSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](C)NC(=O)[C@H](C)CC1CCCC1 ZINC000603824760 350040855 /nfs/dbraw/zinc/04/08/55/350040855.db2.gz UOHVZPINSMBPSL-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](C)NC(=O)[C@@H](C)CC1CCCC1 ZINC000603824761 350040897 /nfs/dbraw/zinc/04/08/97/350040897.db2.gz UOHVZPINSMBPSL-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)[C@@H](C)CC1CCCC1 ZINC000603824762 350041167 /nfs/dbraw/zinc/04/11/67/350041167.db2.gz UOHVZPINSMBPSL-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](C)NC(=O)[C@H](C)CC1CCCC1 ZINC000603824763 350040915 /nfs/dbraw/zinc/04/09/15/350040915.db2.gz UOHVZPINSMBPSL-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)N1C2CCC1CC2 ZINC000603826145 350040576 /nfs/dbraw/zinc/04/05/76/350040576.db2.gz MHQTYQVMNBNFJN-NFOMZHRRSA-N 0 0 249.398 3.746 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)N1C2CCC1CC2 ZINC000603826152 350041085 /nfs/dbraw/zinc/04/10/85/350041085.db2.gz MHQTYQVMNBNFJN-WLYUNCDWSA-N 0 0 249.398 3.746 20 0 BHADRN CC(C)CCN(C)C(=O)[C@H](C)CC1CCCC1 ZINC000603826768 350041436 /nfs/dbraw/zinc/04/14/36/350041436.db2.gz NIORFPUHXRHMSU-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)CCN(C)C(=O)[C@@H](C)CC1CCCC1 ZINC000603826769 350041469 /nfs/dbraw/zinc/04/14/69/350041469.db2.gz NIORFPUHXRHMSU-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)[C@H](C)CC1CCCC1 ZINC000603833117 350042136 /nfs/dbraw/zinc/04/21/36/350042136.db2.gz WPGVKANMDKUQGK-CHWSQXEVSA-N 0 0 239.403 3.707 20 0 BHADRN 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ZINC000604282853 350096354 /nfs/dbraw/zinc/09/63/54/350096354.db2.gz UIUYAKUSOYWLHI-GFCCVEGCSA-N 0 0 233.355 3.640 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@H](C)C(C)(C)C)c1 ZINC000604282854 350096751 /nfs/dbraw/zinc/09/67/51/350096751.db2.gz UIUYAKUSOYWLHI-LBPRGKRZSA-N 0 0 233.355 3.640 20 0 BHADRN CCC(CC)CNC(=O)CC1CCC(C)CC1 ZINC000604283093 350096339 /nfs/dbraw/zinc/09/63/39/350096339.db2.gz LKMCBNGKJGZDRD-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CC[C@H](NC(=O)[C@H]1C[C@H]1C)C(C)(C)C ZINC000604292448 411311189 /nfs/dbraw/zinc/31/11/89/411311189.db2.gz HRFVGHYTHAHBDF-AGIUHOORSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)CC[C@H](NC(=O)[C@H]1C[C@@H]1C)C(C)(C)C ZINC000604292449 411311226 /nfs/dbraw/zinc/31/12/26/411311226.db2.gz HRFVGHYTHAHBDF-AVGNSLFASA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)CC[C@H](NC(=O)[C@@H]1C[C@H]1C)C(C)(C)C ZINC000604292450 411311386 /nfs/dbraw/zinc/31/13/86/411311386.db2.gz HRFVGHYTHAHBDF-UPJWGTAASA-N 0 0 239.403 3.610 20 0 BHADRN 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Cc1ccc(CC(=O)Nc2ccsc2)cc1C ZINC000605526280 344405338 /nfs/dbraw/zinc/40/53/38/344405338.db2.gz FGEIMWRBMNMJFP-UHFFFAOYSA-N 0 0 245.347 3.546 20 0 BHADRN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccsc2)C1(C)C ZINC000605526372 344405420 /nfs/dbraw/zinc/40/54/20/344405420.db2.gz JHGDKYUDFSCUKK-NEPJUHHUSA-N 0 0 249.379 3.925 20 0 BHADRN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccsc2)C1(C)C ZINC000605526373 344406023 /nfs/dbraw/zinc/40/60/23/344406023.db2.gz JHGDKYUDFSCUKK-NWDGAFQWSA-N 0 0 249.379 3.925 20 0 BHADRN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccsc2)C1(C)C ZINC000605526374 344406100 /nfs/dbraw/zinc/40/61/00/344406100.db2.gz JHGDKYUDFSCUKK-RYUDHWBXSA-N 0 0 249.379 3.925 20 0 BHADRN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccsc2)C1(C)C ZINC000605526376 344406223 /nfs/dbraw/zinc/40/62/23/344406223.db2.gz JHGDKYUDFSCUKK-VXGBXAGGSA-N 0 0 249.379 3.925 20 0 BHADRN CCC[C@H](Nc1nccc(C)n1)c1ccccc1 ZINC000605567211 345961374 /nfs/dbraw/zinc/96/13/74/345961374.db2.gz NYXJKKYXJGLUNW-AWEZNQCLSA-N 0 0 241.338 3.738 20 0 BHADRN 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345969059 /nfs/dbraw/zinc/96/90/59/345969059.db2.gz IJEFBGIRPBXWIQ-STQMWFEESA-N 0 0 233.359 3.556 20 0 BHADRN CCC[C@@H](C)NC(=O)N[C@@H](C)CCC(C)(C)C ZINC000605597563 347044428 /nfs/dbraw/zinc/04/44/28/347044428.db2.gz BJCILBKMIPJMPM-NEPJUHHUSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](C)NC(=O)N[C@H](C)CCC(C)(C)C ZINC000605597564 347044751 /nfs/dbraw/zinc/04/47/51/347044751.db2.gz BJCILBKMIPJMPM-NWDGAFQWSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](C)NC(=O)N[C@@H](C)CCC(C)(C)C ZINC000605597565 347044635 /nfs/dbraw/zinc/04/46/35/347044635.db2.gz BJCILBKMIPJMPM-RYUDHWBXSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@@H](C)NC(=O)N[C@H](C)CCC(C)(C)C ZINC000605597566 347044706 /nfs/dbraw/zinc/04/47/06/347044706.db2.gz BJCILBKMIPJMPM-VXGBXAGGSA-N 0 0 242.407 3.689 20 0 BHADRN CCCCCNC(=O)N[C@H](C)CCC(C)(C)C ZINC000605598107 347044531 /nfs/dbraw/zinc/04/45/31/347044531.db2.gz ZMUXPIQZBQGIGG-GFCCVEGCSA-N 0 0 242.407 3.691 20 0 BHADRN CCCCCNC(=O)N[C@@H](C)CCC(C)(C)C ZINC000605598110 347044852 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237.318 3.899 20 0 BHADRN CC(C)(C)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000606159051 350281118 /nfs/dbraw/zinc/28/11/18/350281118.db2.gz HOFZHTIIVXRXQB-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN CC(C)(C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000606167035 350284025 /nfs/dbraw/zinc/28/40/25/350284025.db2.gz SZOQWDAAHTWHAF-UHFFFAOYSA-N 0 0 241.281 3.730 20 0 BHADRN CCN(C(=O)CCC(C)(C)C)C1CCCCC1 ZINC000606167357 350284147 /nfs/dbraw/zinc/28/41/47/350284147.db2.gz KHRIJLPAYJSQSV-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CC[C@@H](CC(=O)N(C)C(C)C)c1ccc(C)cc1 ZINC000606168331 350283906 /nfs/dbraw/zinc/28/39/06/350283906.db2.gz WAPZSQWOBWBISN-AWEZNQCLSA-N 0 0 247.382 3.746 20 0 BHADRN CC[C@H](CC(=O)N(C)C(C)C)c1ccc(C)cc1 ZINC000606168332 350284331 /nfs/dbraw/zinc/28/43/31/350284331.db2.gz WAPZSQWOBWBISN-CQSZACIVSA-N 0 0 247.382 3.746 20 0 BHADRN C[C@@H](N(C)C(=O)CCC(C)(C)C)C(C)(C)C ZINC000606168975 350284384 /nfs/dbraw/zinc/28/43/84/350284384.db2.gz IHEQRJYYPVQIRC-LLVKDONJSA-N 0 0 227.392 3.706 20 0 BHADRN 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/nfs/dbraw/zinc/28/40/42/350284042.db2.gz FMCFLWLXRLRRPX-ZDUSSCGKSA-N 0 0 247.382 3.782 20 0 BHADRN CCCN(CC(C)C)C(=O)CCC(C)(C)C ZINC000606171126 350283946 /nfs/dbraw/zinc/28/39/46/350283946.db2.gz HOJIYLJPAKXEFR-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN CC(C)CN(C)C(=O)CC/C=C\c1ccccc1 ZINC000606171399 350284142 /nfs/dbraw/zinc/28/41/42/350284142.db2.gz ROZQERVQLLGLKL-XFFZJAGNSA-N 0 0 245.366 3.594 20 0 BHADRN CCCN(CC)C(=O)CC/C=C\c1ccccc1 ZINC000606171709 350284152 /nfs/dbraw/zinc/28/41/52/350284152.db2.gz YRIYMVQSEQEJPG-WQLSENKSSA-N 0 0 245.366 3.739 20 0 BHADRN CCCCN(C(=O)CCC(C)(C)C)C1CC1 ZINC000606172166 350284240 /nfs/dbraw/zinc/28/42/40/350284240.db2.gz OKXNQJOXBHRNNE-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1cccc(CN(C)C(=O)CCC(C)(C)C)c1 ZINC000606172483 350284132 /nfs/dbraw/zinc/28/41/32/350284132.db2.gz PKMDAFDQSXQXGT-UHFFFAOYSA-N 0 0 247.382 3.780 20 0 BHADRN CC(C)(C)CCC(=O)NCCC1CCCCC1 ZINC000606174035 350282762 /nfs/dbraw/zinc/28/27/62/350282762.db2.gz VCXWUMBXBRJZSC-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC(CC)N(C(=O)CCC(C)(C)C)C1CC1 ZINC000606174421 350282409 /nfs/dbraw/zinc/28/24/09/350282409.db2.gz WUYRBYJQZGZKHW-UHFFFAOYSA-N 0 0 239.403 3.992 20 0 BHADRN CC(C)CN(CC(C)C)C(=O)CCC(C)(C)C ZINC000606174794 350282411 /nfs/dbraw/zinc/28/24/11/350282411.db2.gz SHPLUQSNTCKXJA-UHFFFAOYSA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@@H]1CCCC[C@H]1NC(=O)CCC(C)(C)C ZINC000606174875 350282732 /nfs/dbraw/zinc/28/27/32/350282732.db2.gz AMYMCMOMZSQYTO-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1NC(=O)CCC(C)(C)C ZINC000606174877 350282553 /nfs/dbraw/zinc/28/25/53/350282553.db2.gz AMYMCMOMZSQYTO-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H]1CCCC[C@H]1NC(=O)CCC(C)(C)C ZINC000606174879 350282644 /nfs/dbraw/zinc/28/26/44/350282644.db2.gz AMYMCMOMZSQYTO-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H]1CCCC[C@@H]1NC(=O)CCC(C)(C)C ZINC000606174880 350282381 /nfs/dbraw/zinc/28/23/81/350282381.db2.gz AMYMCMOMZSQYTO-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CCOc1cccc(NC(=O)CCC(C)(C)C)c1 ZINC000606179814 350282703 /nfs/dbraw/zinc/28/27/03/350282703.db2.gz PYGRHHVUZYHRJS-UHFFFAOYSA-N 0 0 249.354 3.850 20 0 BHADRN CCN(C(=O)CC/C=C\c1ccccc1)C(C)C ZINC000606181357 350283387 /nfs/dbraw/zinc/28/33/87/350283387.db2.gz YNDNDVTWFGNBGH-WQLSENKSSA-N 0 0 245.366 3.737 20 0 BHADRN CC1CCC(CNC(=O)CCC(C)(C)C)CC1 ZINC000606182366 350283344 /nfs/dbraw/zinc/28/33/44/350283344.db2.gz CLUDKEPNOAAQKT-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CNC(=O)CCC(C)(C)C ZINC000606184390 350283607 /nfs/dbraw/zinc/28/36/07/350283607.db2.gz OVZVIOANJFDTJU-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H]1CCCC[C@H]1CNC(=O)CCC(C)(C)C ZINC000606184391 350283333 /nfs/dbraw/zinc/28/33/33/350283333.db2.gz OVZVIOANJFDTJU-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@H]1CCCC[C@@H]1CNC(=O)CCC(C)(C)C ZINC000606184392 350283306 /nfs/dbraw/zinc/28/33/06/350283306.db2.gz OVZVIOANJFDTJU-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@H]1CCCC[C@H]1CNC(=O)CCC(C)(C)C ZINC000606184393 350283146 /nfs/dbraw/zinc/28/31/46/350283146.db2.gz OVZVIOANJFDTJU-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN Cc1cccc2c1CCN2C(=O)CCC(C)(C)C ZINC000606185515 350284903 /nfs/dbraw/zinc/28/49/03/350284903.db2.gz JXVZEYKHFPDSFE-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN Cc1ccc2c(c1)N(C(=O)CCC(C)(C)C)CC2 ZINC000606186408 350285015 /nfs/dbraw/zinc/28/50/15/350285015.db2.gz VFPFZNQCMVSDEQ-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN CC1CCC(C)(NC(=O)CCC(C)(C)C)CC1 ZINC000606188336 350285034 /nfs/dbraw/zinc/28/50/34/350285034.db2.gz HIHNRBDKXFWOFG-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1cc(NC(=O)CCC(C)(C)C)ccc1F ZINC000606193927 350285681 /nfs/dbraw/zinc/28/56/81/350285681.db2.gz VSAHOIHBXFIKEM-UHFFFAOYSA-N 0 0 237.318 3.899 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)CCC(C)(C)C)CC1 ZINC000606194039 350285511 /nfs/dbraw/zinc/28/55/11/350285511.db2.gz CDNMJBWNBVBSBB-HAQNSBGRSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](NC(=O)CCC(C)(C)C)C(C)(C)C ZINC000606195081 350285334 /nfs/dbraw/zinc/28/53/34/350285334.db2.gz MIFHHXSKLCLSBB-LLVKDONJSA-N 0 0 227.392 3.754 20 0 BHADRN CC[C@H](NC(=O)CCC(C)(C)C)C(C)(C)C ZINC000606195082 350285676 /nfs/dbraw/zinc/28/56/76/350285676.db2.gz MIFHHXSKLCLSBB-NSHDSACASA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000606212454 350286997 /nfs/dbraw/zinc/28/69/97/350286997.db2.gz FRHJISBEHBBMPV-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC(=O)N1CCCC[C@H]1[C@H](C)CC ZINC000606212455 350286796 /nfs/dbraw/zinc/28/67/96/350286796.db2.gz FRHJISBEHBBMPV-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000606212456 350286994 /nfs/dbraw/zinc/28/69/94/350286994.db2.gz FRHJISBEHBBMPV-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC(=O)N1CCCC[C@H]1[C@@H](C)CC ZINC000606212457 350286874 /nfs/dbraw/zinc/28/68/74/350286874.db2.gz FRHJISBEHBBMPV-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H](C)C(C)C ZINC000606212920 350286880 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350287548 /nfs/dbraw/zinc/28/75/48/350287548.db2.gz WHNYDVUEAAHZSX-KBPBESRZSA-N 0 0 249.398 3.626 20 0 BHADRN CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C1CCC1 ZINC000606215722 350287790 /nfs/dbraw/zinc/28/77/90/350287790.db2.gz WHNYDVUEAAHZSX-KGLIPLIRSA-N 0 0 249.398 3.626 20 0 BHADRN CCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C1CCC1 ZINC000606215723 350287746 /nfs/dbraw/zinc/28/77/46/350287746.db2.gz WHNYDVUEAAHZSX-UONOGXRCSA-N 0 0 249.398 3.626 20 0 BHADRN CCN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C1CCC1 ZINC000606215724 350287533 /nfs/dbraw/zinc/28/75/33/350287533.db2.gz WHNYDVUEAAHZSX-ZIAGYGMSSA-N 0 0 249.398 3.626 20 0 BHADRN CCN(C(=O)C[C@H]1CCCC[C@H]1C)C1CCC1 ZINC000606215754 350287788 /nfs/dbraw/zinc/28/77/88/350287788.db2.gz ALDDECRGXVOTET-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C1CCC1 ZINC000606215755 350287526 /nfs/dbraw/zinc/28/75/26/350287526.db2.gz ALDDECRGXVOTET-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)C[C@H]1CCCC[C@@H]1C)C1CCC1 ZINC000606215756 350287675 /nfs/dbraw/zinc/28/76/75/350287675.db2.gz ALDDECRGXVOTET-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)C1CCC1 ZINC000606215757 350287256 /nfs/dbraw/zinc/28/72/56/350287256.db2.gz ALDDECRGXVOTET-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1CCC1 ZINC000606215791 350287341 /nfs/dbraw/zinc/28/73/41/350287341.db2.gz GBDYHYIJUPJRDH-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN CCN(C(=O)C[C@H](C)CC(C)(C)C)C1CCC1 ZINC000606215792 350287737 /nfs/dbraw/zinc/28/77/37/350287737.db2.gz GBDYHYIJUPJRDH-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCN(C(=O)c1cc2occc2s1)C1CCC1 ZINC000606216068 350287680 /nfs/dbraw/zinc/28/76/80/350287680.db2.gz PXAKKTICNHBMHB-UHFFFAOYSA-N 0 0 249.335 3.509 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N(CC)C1CCC1 ZINC000606216126 350287721 /nfs/dbraw/zinc/28/77/21/350287721.db2.gz YDHSNNFKGJBITJ-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@H](CC)CC(=O)N(CC)C1CCC1 ZINC000606216127 350287591 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3.651 20 0 BHADRN Cc1cccc([C@H](C)C(=O)N(C)CCC(C)C)c1 ZINC000606765185 350604928 /nfs/dbraw/zinc/60/49/28/350604928.db2.gz SHXZDJIGFPPTKJ-AWEZNQCLSA-N 0 0 247.382 3.603 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)N(C)CCC(C)C)c1 ZINC000606765186 350605027 /nfs/dbraw/zinc/60/50/27/350605027.db2.gz SHXZDJIGFPPTKJ-CQSZACIVSA-N 0 0 247.382 3.603 20 0 BHADRN CCC[C@H](C)N(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000606767418 350605335 /nfs/dbraw/zinc/60/53/35/350605335.db2.gz HIPNLQVLYBCVLK-KBPBESRZSA-N 0 0 247.382 3.746 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000606767419 350605318 /nfs/dbraw/zinc/60/53/18/350605318.db2.gz HIPNLQVLYBCVLK-KGLIPLIRSA-N 0 0 247.382 3.746 20 0 BHADRN CCC[C@H](C)N(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC000606767420 350605240 /nfs/dbraw/zinc/60/52/40/350605240.db2.gz HIPNLQVLYBCVLK-UONOGXRCSA-N 0 0 247.382 3.746 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC000606767421 350605213 /nfs/dbraw/zinc/60/52/13/350605213.db2.gz HIPNLQVLYBCVLK-ZIAGYGMSSA-N 0 0 247.382 3.746 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)NC2(C)CCCC2)c1 ZINC000606778675 350608340 /nfs/dbraw/zinc/60/83/40/350608340.db2.gz IDOYXEGFVGQQIS-CYBMUJFWSA-N 0 0 245.366 3.547 20 0 BHADRN Cc1cccc([C@H](C)C(=O)NC2(C)CCCC2)c1 ZINC000606778676 350608506 /nfs/dbraw/zinc/60/85/06/350608506.db2.gz IDOYXEGFVGQQIS-ZDUSSCGKSA-N 0 0 245.366 3.547 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)CC1CCC(C)CC1 ZINC000606803434 641094023 /nfs/dbraw/zinc/09/40/23/641094023.db2.gz NOOQBMROGILHPK-MOKVOYLWSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@H](C)CNC(=O)CC1CCC(C)CC1 ZINC000606803435 641093659 /nfs/dbraw/zinc/09/36/59/641093659.db2.gz NOOQBMROGILHPK-ROKHWSDSSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@H](C)CNC(=O)C[C@H]1CCCC[C@@H]1C ZINC000606803472 490245502 /nfs/dbraw/zinc/24/55/02/490245502.db2.gz IELIVEYIMZQZLE-BFHYXJOUSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@H](C)CNC(=O)C[C@@H]1CCCC[C@H]1C ZINC000606803474 490245510 /nfs/dbraw/zinc/24/55/10/490245510.db2.gz IELIVEYIMZQZLE-MCIONIFRSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@H](C)CNC(=O)C[C@H]1CCCC[C@H]1C ZINC000606803476 490245430 /nfs/dbraw/zinc/24/54/30/490245430.db2.gz IELIVEYIMZQZLE-MGPQQGTHSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@H](C)CNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000606803477 490245464 /nfs/dbraw/zinc/24/54/64/490245464.db2.gz IELIVEYIMZQZLE-MJBXVCDLSA-N 0 0 239.403 3.611 20 0 BHADRN CCCc1ccc(C(=O)NC[C@@H](C)C(C)C)cc1 ZINC000606803565 490245481 /nfs/dbraw/zinc/24/54/81/490245481.db2.gz QDGCIGQBLVOHDJ-CYBMUJFWSA-N 0 0 247.382 3.661 20 0 BHADRN CCCc1ccc(C(=O)NC[C@H](C)C(C)C)cc1 ZINC000606803570 490245454 /nfs/dbraw/zinc/24/54/54/490245454.db2.gz QDGCIGQBLVOHDJ-ZDUSSCGKSA-N 0 0 247.382 3.661 20 0 BHADRN CC(C)[C@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC000606804036 488112842 /nfs/dbraw/zinc/11/28/42/488112842.db2.gz QOXJJAZAZHGRSS-CHWSQXEVSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC000606804047 488113031 /nfs/dbraw/zinc/11/30/31/488113031.db2.gz QOXJJAZAZHGRSS-OLZOCXBDSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)[C@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC000606804048 488112688 /nfs/dbraw/zinc/11/26/88/488112688.db2.gz QOXJJAZAZHGRSS-QWHCGFSZSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC000606804050 488112504 /nfs/dbraw/zinc/11/25/04/488112504.db2.gz QOXJJAZAZHGRSS-STQMWFEESA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)[C@H](C)CNC(=O)CCC1CCCCC1 ZINC000606804654 488112827 /nfs/dbraw/zinc/11/28/27/488112827.db2.gz CIFYTTJGGFDRDK-CYBMUJFWSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)CCC1CCCCC1 ZINC000606804655 488112478 /nfs/dbraw/zinc/11/24/78/488112478.db2.gz CIFYTTJGGFDRDK-ZDUSSCGKSA-N 0 0 239.403 3.755 20 0 BHADRN Cc1cccc([C@H](C)C(=O)NC[C@H](C)C(C)C)c1 ZINC000606804888 488112571 /nfs/dbraw/zinc/11/25/71/488112571.db2.gz CMVZAVJLAFMORJ-KBPBESRZSA-N 0 0 247.382 3.507 20 0 BHADRN Cc1cccc([C@H](C)C(=O)NC[C@@H](C)C(C)C)c1 ZINC000606804889 488112835 /nfs/dbraw/zinc/11/28/35/488112835.db2.gz CMVZAVJLAFMORJ-KGLIPLIRSA-N 0 0 247.382 3.507 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)NC[C@H](C)C(C)C)c1 ZINC000606804890 488112494 /nfs/dbraw/zinc/11/24/94/488112494.db2.gz CMVZAVJLAFMORJ-UONOGXRCSA-N 0 0 247.382 3.507 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)NC[C@@H](C)C(C)C)c1 ZINC000606804891 488113058 /nfs/dbraw/zinc/11/30/58/488113058.db2.gz CMVZAVJLAFMORJ-ZIAGYGMSSA-N 0 0 247.382 3.507 20 0 BHADRN CC(C)[C@H](C)CNC(=O)[C@H](C)CC1CCCC1 ZINC000606805051 350613456 /nfs/dbraw/zinc/61/34/56/350613456.db2.gz MJPJDTABXMFSRT-CHWSQXEVSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)[C@H](C)CC1CCCC1 ZINC000606805052 350613430 /nfs/dbraw/zinc/61/34/30/350613430.db2.gz MJPJDTABXMFSRT-OLZOCXBDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@H](C)CNC(=O)[C@@H](C)CC1CCCC1 ZINC000606805054 350613651 /nfs/dbraw/zinc/61/36/51/350613651.db2.gz MJPJDTABXMFSRT-QWHCGFSZSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)[C@@H](C)CC1CCCC1 ZINC000606805056 350613418 /nfs/dbraw/zinc/61/34/18/350613418.db2.gz MJPJDTABXMFSRT-STQMWFEESA-N 0 0 239.403 3.611 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCCCC[C@@H]1CC ZINC000606805160 350613231 /nfs/dbraw/zinc/61/32/31/350613231.db2.gz OCNGSCZYCYELIR-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCCCC[C@@H]1CC ZINC000606805161 350613453 /nfs/dbraw/zinc/61/34/53/350613453.db2.gz OCNGSCZYCYELIR-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCCCC[C@H]1CC ZINC000606805162 350613392 /nfs/dbraw/zinc/61/33/92/350613392.db2.gz OCNGSCZYCYELIR-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCCCC[C@H]1CC ZINC000606805163 350613641 /nfs/dbraw/zinc/61/36/41/350613641.db2.gz OCNGSCZYCYELIR-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)c1ccc(C(=O)NC[C@@H](C)C(C)C)cc1 ZINC000606805200 350613293 /nfs/dbraw/zinc/61/32/93/350613293.db2.gz JUZXWNHOEIWXIM-CYBMUJFWSA-N 0 0 247.382 3.832 20 0 BHADRN CC(C)c1ccc(C(=O)NC[C@H](C)C(C)C)cc1 ZINC000606805201 350613269 /nfs/dbraw/zinc/61/32/69/350613269.db2.gz JUZXWNHOEIWXIM-ZDUSSCGKSA-N 0 0 247.382 3.832 20 0 BHADRN CC[C@@H]1CCCCCN1C(=O)CCC(C)(F)F ZINC000606807268 350613375 /nfs/dbraw/zinc/61/33/75/350613375.db2.gz NZTKNRGTLYHGBN-LLVKDONJSA-N 0 0 247.329 3.603 20 0 BHADRN CC[C@H]1CCCCCN1C(=O)CCC(C)(F)F ZINC000606807281 350613332 /nfs/dbraw/zinc/61/33/32/350613332.db2.gz NZTKNRGTLYHGBN-NSHDSACASA-N 0 0 247.329 3.603 20 0 BHADRN CC(C)[C@H](C)CNC(=O)CCCC(C)(C)C ZINC000606807364 350613198 /nfs/dbraw/zinc/61/31/98/350613198.db2.gz OFSFWFIZEKBPAD-GFCCVEGCSA-N 0 0 227.392 3.611 20 0 BHADRN CC(C)[C@@H](C)CNC(=O)CCCC(C)(C)C ZINC000606807366 350613439 /nfs/dbraw/zinc/61/34/39/350613439.db2.gz OFSFWFIZEKBPAD-LBPRGKRZSA-N 0 0 227.392 3.611 20 0 BHADRN CCCCCC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000606816708 350614750 /nfs/dbraw/zinc/61/47/50/350614750.db2.gz HNJKZHFHKVSBMS-ITGUQSILSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000606816709 350615038 /nfs/dbraw/zinc/61/50/38/350615038.db2.gz HNJKZHFHKVSBMS-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000606816710 350614828 /nfs/dbraw/zinc/61/48/28/350614828.db2.gz HNJKZHFHKVSBMS-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@H]1CC(NC(=O)CC2=CCCCC2)C[C@H](C)C1 ZINC000606817025 350614949 /nfs/dbraw/zinc/61/49/49/350614949.db2.gz PDXZWMXDOKXEJH-CHWSQXEVSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H]1C[C@H](NC(=O)CC2=CCCCC2)C[C@@H](C)C1 ZINC000606817026 350614978 /nfs/dbraw/zinc/61/49/78/350614978.db2.gz PDXZWMXDOKXEJH-NHAGDIPZSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC(NC(=O)CC2=CCCCC2)C[C@@H](C)C1 ZINC000606817027 350614664 /nfs/dbraw/zinc/61/46/64/350614664.db2.gz PDXZWMXDOKXEJH-STQMWFEESA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](C(=O)NC1C[C@H](C)C[C@@H](C)C1)C(C)(C)C ZINC000606818416 350614709 /nfs/dbraw/zinc/61/47/09/350614709.db2.gz FKZFBYDLIVJUSF-IJLUTSLNSA-N 0 0 239.403 3.610 20 0 BHADRN C[C@@H](C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000606818417 350614760 /nfs/dbraw/zinc/61/47/60/350614760.db2.gz FKZFBYDLIVJUSF-QNWHQSFQSA-N 0 0 239.403 3.610 20 0 BHADRN C[C@@H](C(=O)NC1C[C@H](C)C[C@@H](C)C1)C(C)(C)C ZINC000606818418 350614776 /nfs/dbraw/zinc/61/47/76/350614776.db2.gz FKZFBYDLIVJUSF-UTUOFQBUSA-N 0 0 239.403 3.610 20 0 BHADRN C[C@H](C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000606818419 350614959 /nfs/dbraw/zinc/61/49/59/350614959.db2.gz FKZFBYDLIVJUSF-XQHKEYJVSA-N 0 0 239.403 3.610 20 0 BHADRN Cc1cccc(C(=O)NC2C[C@H](C)C[C@@H](C)C2)c1 ZINC000606819051 350614907 /nfs/dbraw/zinc/61/49/07/350614907.db2.gz JGASGFWRXFFMKJ-CHWSQXEVSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1cccc(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000606819057 350614682 /nfs/dbraw/zinc/61/46/82/350614682.db2.gz JGASGFWRXFFMKJ-NHAGDIPZSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1cccc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)c1 ZINC000606819058 350615035 /nfs/dbraw/zinc/61/50/35/350615035.db2.gz JGASGFWRXFFMKJ-STQMWFEESA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccc(C(=O)NC2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000606819322 350614816 /nfs/dbraw/zinc/61/48/16/350614816.db2.gz WIJSTAPPTPDAAQ-CHWSQXEVSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccc(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000606819323 350615043 /nfs/dbraw/zinc/61/50/43/350615043.db2.gz WIJSTAPPTPDAAQ-NHAGDIPZSA-N 0 0 245.366 3.550 20 0 BHADRN Cc1ccc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000606819324 350614736 /nfs/dbraw/zinc/61/47/36/350614736.db2.gz WIJSTAPPTPDAAQ-STQMWFEESA-N 0 0 245.366 3.550 20 0 BHADRN C[C@H]1C[C@H](NC(=O)C2(C)CCCC2)C[C@@H](C)C1 ZINC000606820979 350615369 /nfs/dbraw/zinc/61/53/69/350615369.db2.gz WLUAQCQZXPDJIF-ITGUQSILSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC(NC(=O)C2(C)CCCC2)C[C@@H](C)C1 ZINC000606820980 350615421 /nfs/dbraw/zinc/61/54/21/350615421.db2.gz WLUAQCQZXPDJIF-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CC(NC(=O)C2(C)CCCC2)C[C@H](C)C1 ZINC000606820982 350615673 /nfs/dbraw/zinc/61/56/73/350615673.db2.gz WLUAQCQZXPDJIF-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1C[C@H](NC(=O)CC2CCCC2)C[C@@H](C)C1 ZINC000606821208 350615631 /nfs/dbraw/zinc/61/56/31/350615631.db2.gz 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350626415 /nfs/dbraw/zinc/62/64/15/350626415.db2.gz YJHZFACXXVQKHR-LBPRGKRZSA-N 0 0 242.407 3.691 20 0 BHADRN CCCCN(CC)C(=O)NCCCC(C)(C)C ZINC000606927032 350630478 /nfs/dbraw/zinc/63/04/78/350630478.db2.gz BKAZBIZEYGISMM-UHFFFAOYSA-N 0 0 242.407 3.644 20 0 BHADRN CC(C)CCN(C)C(=O)NCCCC(C)(C)C ZINC000606927189 350628996 /nfs/dbraw/zinc/62/89/96/350628996.db2.gz IYDZQDDBMSXCDT-UHFFFAOYSA-N 0 0 242.407 3.500 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)NCCCC(C)(C)C ZINC000606928042 350628522 /nfs/dbraw/zinc/62/85/22/350628522.db2.gz VLSKDQUCVLHBOK-GFCCVEGCSA-N 0 0 242.407 3.500 20 0 BHADRN CC[C@H](C)CN(C)C(=O)NCCCC(C)(C)C ZINC000606928053 350628851 /nfs/dbraw/zinc/62/88/51/350628851.db2.gz VLSKDQUCVLHBOK-LBPRGKRZSA-N 0 0 242.407 3.500 20 0 BHADRN Cc1ccc(NC(=O)NC[C@@H](C)C(C)C)cc1C ZINC000606934271 350629878 /nfs/dbraw/zinc/62/98/78/350629878.db2.gz JGESEMRSRZJINS-CYBMUJFWSA-N 0 0 248.370 3.717 20 0 BHADRN Cc1ccc(NC(=O)NC[C@H](C)C(C)C)cc1C ZINC000606934272 350629575 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/nfs/dbraw/zinc/63/75/77/350637577.db2.gz NEQSECCNBSOXSU-OLZOCXBDSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@H](C)NC(=O)N1CCCCC[C@H]1CC ZINC000606964600 350637520 /nfs/dbraw/zinc/63/75/20/350637520.db2.gz NEQSECCNBSOXSU-QWHCGFSZSA-N 0 0 240.391 3.539 20 0 BHADRN CCC[C@H](C)NC(=O)N1CCCCC[C@@H]1CC ZINC000606964601 350638349 /nfs/dbraw/zinc/63/83/49/350638349.db2.gz NEQSECCNBSOXSU-STQMWFEESA-N 0 0 240.391 3.539 20 0 BHADRN CCCCCNC(=O)N1CCCCC[C@H]1CC ZINC000606966369 350649323 /nfs/dbraw/zinc/64/93/23/350649323.db2.gz LOCQNAVMOZBRDL-CYBMUJFWSA-N 0 0 240.391 3.541 20 0 BHADRN CCCCCNC(=O)N1CCCCC[C@@H]1CC ZINC000606966371 350649299 /nfs/dbraw/zinc/64/92/99/350649299.db2.gz LOCQNAVMOZBRDL-ZDUSSCGKSA-N 0 0 240.391 3.541 20 0 BHADRN CCCC(C)(C)NC(=O)NCCCC(C)(C)C ZINC000606985952 350667000 /nfs/dbraw/zinc/66/70/00/350667000.db2.gz MJYRXWDNRNOIHW-UHFFFAOYSA-N 0 0 242.407 3.691 20 0 BHADRN CCN(CC(C)C)C(=O)NCCCC(C)(C)C ZINC000606987027 350672055 /nfs/dbraw/zinc/67/20/55/350672055.db2.gz 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ZINC000607466432 351496893 /nfs/dbraw/zinc/49/68/93/351496893.db2.gz DYSKPMKOAGPDKP-NSHDSACASA-N 0 0 249.354 3.563 20 0 BHADRN CC[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000607494048 351547669 /nfs/dbraw/zinc/54/76/69/351547669.db2.gz IGBARUNQZZJGST-AGIUHOORSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)C(C)(C)C ZINC000607494049 351548140 /nfs/dbraw/zinc/54/81/40/351548140.db2.gz IGBARUNQZZJGST-AVGNSLFASA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000607494050 351548457 /nfs/dbraw/zinc/54/84/57/351548457.db2.gz IGBARUNQZZJGST-UPJWGTAASA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)C(C)(C)C ZINC000607494051 351548461 /nfs/dbraw/zinc/54/84/61/351548461.db2.gz IGBARUNQZZJGST-XQQFMLRXSA-N 0 0 239.403 3.754 20 0 BHADRN CC[C@@H]1CCCCCN1C(=O)[C@H](C)c1ccco1 ZINC000607507562 351557641 /nfs/dbraw/zinc/55/76/41/351557641.db2.gz OPGCGCOLZYJEQC-CHWSQXEVSA-N 0 0 249.354 3.564 20 0 BHADRN 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241.325 3.513 20 0 BHADRN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(F)F ZINC000608501256 355829308 /nfs/dbraw/zinc/82/93/08/355829308.db2.gz CCZLASWKVJUYRW-ZDUSSCGKSA-N 0 0 241.325 3.513 20 0 BHADRN Cc1ccc([C@H]2C[C@@H](C)CCN2CC(F)F)o1 ZINC000608510769 355831500 /nfs/dbraw/zinc/83/15/00/355831500.db2.gz CPNLSPCKZLLQCL-GXSJLCMTSA-N 0 0 243.297 3.626 20 0 BHADRN Cc1ccc([C@@H]2C[C@H](C)CCN2CC(F)F)o1 ZINC000608510770 355831799 /nfs/dbraw/zinc/83/17/99/355831799.db2.gz CPNLSPCKZLLQCL-KOLCDFICSA-N 0 0 243.297 3.626 20 0 BHADRN Cc1ccc([C@H]2C[C@H](C)CCN2CC(F)F)o1 ZINC000608510771 355831775 /nfs/dbraw/zinc/83/17/75/355831775.db2.gz CPNLSPCKZLLQCL-MWLCHTKSSA-N 0 0 243.297 3.626 20 0 BHADRN Cc1ccc([C@@H]2C[C@@H](C)CCN2CC(F)F)o1 ZINC000608510772 355831462 /nfs/dbraw/zinc/83/14/62/355831462.db2.gz CPNLSPCKZLLQCL-ONGXEEELSA-N 0 0 243.297 3.626 20 0 BHADRN c1ccc2c(c1)SCCCN2CCC1CC1 ZINC000608559839 355858311 /nfs/dbraw/zinc/85/83/11/355858311.db2.gz NAVDFLXURGNSLL-UHFFFAOYSA-N 0 0 233.380 3.789 20 0 BHADRN CCCN(CCC1CCCCC1)CC(F)F ZINC000608561669 355859173 /nfs/dbraw/zinc/85/91/73/355859173.db2.gz GELVJTMICITQMD-UHFFFAOYSA-N 0 0 233.346 3.934 20 0 BHADRN CCN(CCC1CCCCC1)CC(F)(F)F ZINC000608562251 355860170 /nfs/dbraw/zinc/86/01/70/355860170.db2.gz YMPYAOGFOONYOM-UHFFFAOYSA-N 0 0 237.309 3.841 20 0 BHADRN CN(CCC1CCCCC1)c1cccc(O)c1 ZINC000608564032 355861164 /nfs/dbraw/zinc/86/11/64/355861164.db2.gz PXLITYQCOGFYQX-UHFFFAOYSA-N 0 0 233.355 3.799 20 0 BHADRN CCC(C)(C)CCN(C)c1cccc(O)c1 ZINC000608564098 355860517 /nfs/dbraw/zinc/86/05/17/355860517.db2.gz JEHDLXXPVMHHBD-UHFFFAOYSA-N 0 0 221.344 3.655 20 0 BHADRN CCC(C)(C)CC(=O)N(C)Cc1ccsc1 ZINC000608581540 355867059 /nfs/dbraw/zinc/86/70/59/355867059.db2.gz CXLVIUVOLFIMFX-UHFFFAOYSA-N 0 0 239.384 3.533 20 0 BHADRN CCC(C)(C)CC(=O)N(C)[C@H](C)C(C)(C)C ZINC000608582612 355868516 /nfs/dbraw/zinc/86/85/16/355868516.db2.gz CPRCMSAOXIECLM-LLVKDONJSA-N 0 0 227.392 3.706 20 0 BHADRN CCC(C)(C)CC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000608582617 355868406 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353165118 /nfs/dbraw/zinc/16/51/18/353165118.db2.gz LJQNSLMMUWTRKM-JTQLQIEISA-N 0 0 235.302 3.509 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCC2(C)C)c1F ZINC000613265926 353165458 /nfs/dbraw/zinc/16/54/58/353165458.db2.gz LJQNSLMMUWTRKM-SNVBAGLBSA-N 0 0 235.302 3.509 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1F ZINC000613267379 355898400 /nfs/dbraw/zinc/89/84/00/355898400.db2.gz QTRNOPBBFSKVJZ-QJPTWQEYSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1F ZINC000613267385 355898657 /nfs/dbraw/zinc/89/86/57/355898657.db2.gz QTRNOPBBFSKVJZ-UTUOFQBUSA-N 0 0 247.313 3.509 20 0 BHADRN CC(C)[C@@H]1CCN1C(=O)C1CC2(C1)CCCCC2 ZINC000613268764 356950598 /nfs/dbraw/zinc/95/05/98/356950598.db2.gz DQHQUKVYUSBBEU-AWEZNQCLSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@H]1CCN1C(=O)C1CC2(C1)CCCCC2 ZINC000613268766 356950962 /nfs/dbraw/zinc/95/09/62/356950962.db2.gz DQHQUKVYUSBBEU-CQSZACIVSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)c1cccc(C(=O)N2CC[C@H]2C(C)C)c1 ZINC000613269672 357396942 /nfs/dbraw/zinc/39/69/42/357396942.db2.gz JKWLREPBYPHHDC-HNNXBMFYSA-N 0 0 245.366 3.681 20 0 BHADRN CC(C)c1cccc(C(=O)N2CC[C@@H]2C(C)C)c1 ZINC000613269674 357396590 /nfs/dbraw/zinc/39/65/90/357396590.db2.gz JKWLREPBYPHHDC-OAHLLOKOSA-N 0 0 245.366 3.681 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613274604 358156010 /nfs/dbraw/zinc/15/60/10/358156010.db2.gz GKWLVBRIRXNRRO-QJPTWQEYSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613274606 358155964 /nfs/dbraw/zinc/15/59/64/358155964.db2.gz GKWLVBRIRXNRRO-UTUOFQBUSA-N 0 0 247.313 3.509 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@@H]1CCC1(C)C ZINC000613276277 362916429 /nfs/dbraw/zinc/91/64/29/362916429.db2.gz ZKJFCTNAAHLLEV-JTQLQIEISA-N 0 0 235.302 3.509 20 0 BHADRN Cc1cccc(F)c1NC(=O)[C@H]1CCC1(C)C ZINC000613276282 362915917 /nfs/dbraw/zinc/91/59/17/362915917.db2.gz ZKJFCTNAAHLLEV-SNVBAGLBSA-N 0 0 235.302 3.509 20 0 BHADRN CC1(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCCCCC1 ZINC000613276447 362925970 /nfs/dbraw/zinc/92/59/70/362925970.db2.gz BPPNYALWNCRELI-WDNDVIMCSA-N 0 0 249.398 3.509 20 0 BHADRN CC1(CNC(=O)C2CC3(CC3)C2)CCCCCC1 ZINC000613278108 363016453 /nfs/dbraw/zinc/01/64/53/363016453.db2.gz KTHYPWQBKNCZAK-UHFFFAOYSA-N 0 0 249.398 3.653 20 0 BHADRN Cc1ccc2sc(-c3ccncc3)nc2c1 ZINC000613293755 363073116 /nfs/dbraw/zinc/07/31/16/363073116.db2.gz AVPMVAOWQRRETF-UHFFFAOYSA-N 0 0 226.304 3.667 20 0 BHADRN Fc1ccc(-c2nc3cnccc3s2)c(F)c1 ZINC000613293810 363071711 /nfs/dbraw/zinc/07/17/11/363071711.db2.gz BWWDYOQWNLVUMO-UHFFFAOYSA-N 0 0 248.257 3.637 20 0 BHADRN Cc1noc(C)c1-c1nc2cc(C)ccc2s1 ZINC000613293893 363072444 /nfs/dbraw/zinc/07/24/44/363072444.db2.gz HBCQYIDZLKRFFC-UHFFFAOYSA-N 0 0 244.319 3.877 20 0 BHADRN C[C@H](CC(=O)N(C)[C@@H](C)C1CC1)CC(C)(C)C ZINC000613302693 363085441 /nfs/dbraw/zinc/08/54/41/363085441.db2.gz LTTPMRQCMMJBDD-NEPJUHHUSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CC(=O)N(C)[C@H](C)C1CC1)CC(C)(C)C ZINC000613302699 363085460 /nfs/dbraw/zinc/08/54/60/363085460.db2.gz LTTPMRQCMMJBDD-NWDGAFQWSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](CC(=O)N(C)[C@@H](C)C1CC1)CC(C)(C)C ZINC000613302701 363085539 /nfs/dbraw/zinc/08/55/39/363085539.db2.gz LTTPMRQCMMJBDD-RYUDHWBXSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](C1CC1)N(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC000613302702 363085447 /nfs/dbraw/zinc/08/54/47/363085447.db2.gz LTTPMRQCMMJBDD-VXGBXAGGSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H]1CCCN(c2nccc3sccc32)C1 ZINC000613308660 363089210 /nfs/dbraw/zinc/08/92/10/363089210.db2.gz JFJCMCYOJJWWQE-JTQLQIEISA-N 0 0 232.352 3.533 20 0 BHADRN C[C@@H]1CCCN(c2nccc3sccc32)C1 ZINC000613308661 363089170 /nfs/dbraw/zinc/08/91/70/363089170.db2.gz JFJCMCYOJJWWQE-SNVBAGLBSA-N 0 0 232.352 3.533 20 0 BHADRN C[C@@H]1C[C@@H](C)CN(c2nccc3sccc32)C1 ZINC000613309194 363089219 /nfs/dbraw/zinc/08/92/19/363089219.db2.gz PNVNJJAOTHFELY-GHMZBOCLSA-N 0 0 246.379 3.779 20 0 BHADRN C[C@@H]1C[C@H](C)CN(c2nccc3sccc32)C1 ZINC000613309195 363089319 /nfs/dbraw/zinc/08/93/19/363089319.db2.gz PNVNJJAOTHFELY-PHIMTYICSA-N 0 0 246.379 3.779 20 0 BHADRN C[C@H]1C[C@H](C)CN(c2nccc3sccc32)C1 ZINC000613309196 363088922 /nfs/dbraw/zinc/08/89/22/363088922.db2.gz PNVNJJAOTHFELY-QWRGUYRKSA-N 0 0 246.379 3.779 20 0 BHADRN CCCCN(C)c1nccc2sccc21 ZINC000613310201 363093548 /nfs/dbraw/zinc/09/35/48/363093548.db2.gz XPAYSPFQJXLQRY-UHFFFAOYSA-N 0 0 220.341 3.533 20 0 BHADRN CCc1cc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)ccc1C ZINC000613312093 363097208 /nfs/dbraw/zinc/09/72/08/363097208.db2.gz VJEUSRWGPMVTDH-WDNDVIMCSA-N 0 0 243.350 3.542 20 0 BHADRN CCc1cc(NC(=O)C2CC3(CC3)C2)ccc1C ZINC000613312217 363096890 /nfs/dbraw/zinc/09/68/90/363096890.db2.gz WFFMTGFCYIFFFY-UHFFFAOYSA-N 0 0 243.350 3.686 20 0 BHADRN C[C@@H]1CCCC[C@H]1OCCN(C)c1ccccc1 ZINC000613314645 363100193 /nfs/dbraw/zinc/10/01/93/363100193.db2.gz PPTXRCCZHCWYNT-GDBMZVCRSA-N 0 0 247.382 3.718 20 0 BHADRN C[C@H]1CCCC[C@H]1OCCN(C)c1ccccc1 ZINC000613314647 363099804 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CC1=CC[C@](C)(C(=O)N2CC[C@@H](C)C[C@H]2C)CC1 ZINC000616418193 343428750 /nfs/dbraw/zinc/42/87/50/343428750.db2.gz LGFUEQGGXJTWRC-FMKPAKJESA-N 0 0 249.398 3.770 20 0 BHADRN CC1=CC[C@@](C)(C(=O)N2CC[C@@H](C)C[C@H]2C)CC1 ZINC000616418194 343428551 /nfs/dbraw/zinc/42/85/51/343428551.db2.gz LGFUEQGGXJTWRC-IIAWOOMASA-N 0 0 249.398 3.770 20 0 BHADRN C[C@@H]1CCN(C(=O)C2CCC3(CC3)CC2)[C@H](C)C1 ZINC000616419390 343430027 /nfs/dbraw/zinc/43/00/27/343430027.db2.gz JWXOVRSRXUAULW-CHWSQXEVSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)[C@H](C)C1 ZINC000616419537 343429586 /nfs/dbraw/zinc/42/95/86/343429586.db2.gz PWLRJEXVHLULAD-MCIONIFRSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)[C@H](C)C1 ZINC000616419538 343429647 /nfs/dbraw/zinc/42/96/47/343429647.db2.gz PWLRJEXVHLULAD-MGPQQGTHSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000616428796 343432499 /nfs/dbraw/zinc/43/24/99/343432499.db2.gz 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249.398 3.604 20 0 BHADRN CC1(C)CC[C@@H]1C(=O)N1CCCC[C@H]1C1CCC1 ZINC000616507656 343486400 /nfs/dbraw/zinc/48/64/00/343486400.db2.gz RZVFKXSOPSTZMT-KGLIPLIRSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CC[C@H]1C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000616507657 343486419 /nfs/dbraw/zinc/48/64/19/343486419.db2.gz RZVFKXSOPSTZMT-UONOGXRCSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000616507658 343486468 /nfs/dbraw/zinc/48/64/68/343486468.db2.gz RZVFKXSOPSTZMT-ZIAGYGMSSA-N 0 0 249.398 3.604 20 0 BHADRN O=C([C@@H]1CCCC2(CC2)C1)N1CCC12CCCC2 ZINC000616514147 343488590 /nfs/dbraw/zinc/48/85/90/343488590.db2.gz BKYJPXJMXZVGQS-CYBMUJFWSA-N 0 0 247.382 3.502 20 0 BHADRN O=C([C@H]1CCCC2(CC2)C1)N1CCC12CCCC2 ZINC000616514148 343488579 /nfs/dbraw/zinc/48/85/79/343488579.db2.gz BKYJPXJMXZVGQS-ZDUSSCGKSA-N 0 0 247.382 3.502 20 0 BHADRN O=C(C1CCC2(CC2)CC1)N1CCC12CCCC2 ZINC000616514283 343488675 /nfs/dbraw/zinc/48/86/75/343488675.db2.gz HFPYYOOLZMZCTI-UHFFFAOYSA-N 0 0 247.382 3.502 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CCC[C@@H]1CCC[C@H]1C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723003 343549829 /nfs/dbraw/zinc/54/98/29/343549829.db2.gz XJCTUNIDFWKTQN-BARDWOONSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723004 343549935 /nfs/dbraw/zinc/54/99/35/343549935.db2.gz XJCTUNIDFWKTQN-QPSCCSFWSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@H]1CCC[C@H]1C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723005 343549887 /nfs/dbraw/zinc/54/98/87/343549887.db2.gz XJCTUNIDFWKTQN-XQLPTFJDSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723435 343550421 /nfs/dbraw/zinc/55/04/21/343550421.db2.gz FRIGRKIKHILSQC-KCQAQPDRSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@](C)(CC)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723436 343550193 /nfs/dbraw/zinc/55/01/93/343550193.db2.gz FRIGRKIKHILSQC-YDHLFZDLSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723500 343550300 /nfs/dbraw/zinc/55/03/00/343550300.db2.gz 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CCC(C)(C)[C@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000617567604 356121979 /nfs/dbraw/zinc/12/19/79/356121979.db2.gz MAZCCDRXAKDLOI-RFQIPJPRSA-N 0 0 249.398 3.530 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000617567605 356122051 /nfs/dbraw/zinc/12/20/51/356122051.db2.gz MAZCCDRXAKDLOI-YIYPIFLZSA-N 0 0 249.398 3.530 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)c1ccsc1C ZINC000617567760 356123125 /nfs/dbraw/zinc/12/31/25/356123125.db2.gz PCLWNRPUZYEBHT-JTQLQIEISA-N 0 0 239.384 3.611 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)c1ccsc1C ZINC000617567761 356122982 /nfs/dbraw/zinc/12/29/82/356122982.db2.gz PCLWNRPUZYEBHT-SNVBAGLBSA-N 0 0 239.384 3.611 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)CC(C)(C)C1CC1 ZINC000617567860 356122930 /nfs/dbraw/zinc/12/29/30/356122930.db2.gz REQPNWLAWMIOJZ-LLVKDONJSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)CC(C)(C)C1CC1 ZINC000617567861 356122899 /nfs/dbraw/zinc/12/28/99/356122899.db2.gz REQPNWLAWMIOJZ-NSHDSACASA-N 0 0 239.403 3.754 20 0 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CCC(C)(C)[C@H](C)NC(=O)[C@H](C)CC(C)C ZINC000617568890 356127096 /nfs/dbraw/zinc/12/70/96/356127096.db2.gz MDAPERVQVPRJHB-NEPJUHHUSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000617568891 356127063 /nfs/dbraw/zinc/12/70/63/356127063.db2.gz MDAPERVQVPRJHB-NWDGAFQWSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000617568892 356127236 /nfs/dbraw/zinc/12/72/36/356127236.db2.gz MDAPERVQVPRJHB-RYUDHWBXSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)[C@H](C)CC(C)C ZINC000617568893 356127438 /nfs/dbraw/zinc/12/74/38/356127438.db2.gz MDAPERVQVPRJHB-VXGBXAGGSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)c1ccoc1C1CC1 ZINC000617569082 356128851 /nfs/dbraw/zinc/12/88/51/356128851.db2.gz PXYDLSZNCIDWAC-JTQLQIEISA-N 0 0 249.354 3.712 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)c1ccoc1C1CC1 ZINC000617569083 356129061 /nfs/dbraw/zinc/12/90/61/356129061.db2.gz PXYDLSZNCIDWAC-SNVBAGLBSA-N 0 0 249.354 3.712 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N[C@H](C)C(C)(C)CC ZINC000617569206 356129866 /nfs/dbraw/zinc/12/98/66/356129866.db2.gz SGUAAFMYVWVWHQ-QJPTWQEYSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N[C@H](C)C(C)(C)CC ZINC000617569207 356129654 /nfs/dbraw/zinc/12/96/54/356129654.db2.gz SGUAAFMYVWVWHQ-SDDRHHMPSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)C(C)(C)CC ZINC000617569208 356129717 /nfs/dbraw/zinc/12/97/17/356129717.db2.gz SGUAAFMYVWVWHQ-SRVKXCTJSA-N 0 0 227.392 3.610 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)C(C)(C)CC ZINC000617569209 356129883 /nfs/dbraw/zinc/12/98/83/356129883.db2.gz SGUAAFMYVWVWHQ-TUAOUCFPSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)C[C@@H]1C=CCCC1 ZINC000617569467 356129604 /nfs/dbraw/zinc/12/96/04/356129604.db2.gz ZJWBIUBVQCJLJI-CHWSQXEVSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)C[C@H]1C=CCCC1 ZINC000617569469 356129728 /nfs/dbraw/zinc/12/97/28/356129728.db2.gz ZJWBIUBVQCJLJI-OLZOCXBDSA-N 0 0 237.387 3.674 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20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)c1cscc1C ZINC000617570414 356132907 /nfs/dbraw/zinc/13/29/07/356132907.db2.gz PXKNYVWUNOQFHV-JTQLQIEISA-N 0 0 239.384 3.611 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)c1cscc1C ZINC000617570415 356133178 /nfs/dbraw/zinc/13/31/78/356133178.db2.gz PXKNYVWUNOQFHV-SNVBAGLBSA-N 0 0 239.384 3.611 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)CCC1CCC1 ZINC000617570598 356133460 /nfs/dbraw/zinc/13/34/60/356133460.db2.gz VDXCGHPFRHETJS-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)CCC1CCC1 ZINC000617570599 356133469 /nfs/dbraw/zinc/13/34/69/356133469.db2.gz VDXCGHPFRHETJS-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)CC1=CCCCC1 ZINC000617570992 356134100 /nfs/dbraw/zinc/13/41/00/356134100.db2.gz DIIHFYAFIRCELH-GFCCVEGCSA-N 0 0 237.387 3.818 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)CC1=CCCCC1 ZINC000617570993 356134015 /nfs/dbraw/zinc/13/40/15/356134015.db2.gz DIIHFYAFIRCELH-LBPRGKRZSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCCC(=O)N[C@H](C)C(C)(C)CC ZINC000617572723 356137140 /nfs/dbraw/zinc/13/71/40/356137140.db2.gz OQFVJKHYOSMFTH-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCCC(=O)N[C@@H](C)C(C)(C)CC ZINC000617572724 356137276 /nfs/dbraw/zinc/13/72/76/356137276.db2.gz OQFVJKHYOSMFTH-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)c1ccccc1C ZINC000617573553 356139053 /nfs/dbraw/zinc/13/90/53/356139053.db2.gz GMCABLJOAHJXJD-GFCCVEGCSA-N 0 0 233.355 3.550 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)c1ccccc1C ZINC000617573554 356139419 /nfs/dbraw/zinc/13/94/19/356139419.db2.gz GMCABLJOAHJXJD-LBPRGKRZSA-N 0 0 233.355 3.550 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)c1sccc1C ZINC000617573559 356139075 /nfs/dbraw/zinc/13/90/75/356139075.db2.gz GPQJRVGKVMHGDA-JTQLQIEISA-N 0 0 239.384 3.611 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)c1sccc1C ZINC000617573560 356139424 /nfs/dbraw/zinc/13/94/24/356139424.db2.gz GPQJRVGKVMHGDA-SNVBAGLBSA-N 0 0 239.384 3.611 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)CCc1ccccc1 ZINC000617573677 356139304 /nfs/dbraw/zinc/13/93/04/356139304.db2.gz JEUGDYXOBUKKBH-CYBMUJFWSA-N 0 0 247.382 3.560 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)CCc1ccccc1 ZINC000617573678 356139145 /nfs/dbraw/zinc/13/91/45/356139145.db2.gz JEUGDYXOBUKKBH-ZDUSSCGKSA-N 0 0 247.382 3.560 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)CC1CCCC1 ZINC000617573877 356138960 /nfs/dbraw/zinc/13/89/60/356138960.db2.gz NLKCIGBUFLHKHE-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)CC1CCCC1 ZINC000617573878 356139037 /nfs/dbraw/zinc/13/90/37/356139037.db2.gz NLKCIGBUFLHKHE-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)C1CCCCC1 ZINC000617574129 356140173 /nfs/dbraw/zinc/14/01/73/356140173.db2.gz SYPWQVURKJMZEL-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)C1CCCCC1 ZINC000617574130 356139964 /nfs/dbraw/zinc/13/99/64/356139964.db2.gz SYPWQVURKJMZEL-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)c1ccc(C)s1 ZINC000617574237 356139998 /nfs/dbraw/zinc/13/99/98/356139998.db2.gz WSSIIIZFLTYXKN-JTQLQIEISA-N 0 0 239.384 3.611 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)c1ccc(C)s1 ZINC000617574238 356139811 /nfs/dbraw/zinc/13/98/11/356139811.db2.gz WSSIIIZFLTYXKN-SNVBAGLBSA-N 0 0 239.384 3.611 20 0 BHADRN CCCCCC(=O)NCc1ccc2occc2c1 ZINC000617626079 356199890 /nfs/dbraw/zinc/19/98/90/356199890.db2.gz RQXDSVXZBCYNSF-UHFFFAOYSA-N 0 0 245.322 3.629 20 0 BHADRN CC[C@H](C)CCNC(=O)c1ccccc1Cl ZINC000617631362 356208034 /nfs/dbraw/zinc/20/80/34/356208034.db2.gz DZPARSGOZOMXIV-JTQLQIEISA-N 0 0 239.746 3.506 20 0 BHADRN CC[C@@H](C)CCNC(=O)c1ccccc1Cl ZINC000617631363 356208350 /nfs/dbraw/zinc/20/83/50/356208350.db2.gz DZPARSGOZOMXIV-SNVBAGLBSA-N 0 0 239.746 3.506 20 0 BHADRN CC[C@H](C)CCNC(=O)C[C@H](C)c1ccccc1 ZINC000617632144 356208658 /nfs/dbraw/zinc/20/86/58/356208658.db2.gz CIRSMMGHOOJLHJ-KBPBESRZSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C)CCNC(=O)C[C@H](C)c1ccccc1 ZINC000617632145 356208822 /nfs/dbraw/zinc/20/88/22/356208822.db2.gz CIRSMMGHOOJLHJ-KGLIPLIRSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@H](C)CCNC(=O)C[C@@H](C)c1ccccc1 ZINC000617632146 356208669 /nfs/dbraw/zinc/20/86/69/356208669.db2.gz CIRSMMGHOOJLHJ-UONOGXRCSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C)CCNC(=O)C[C@@H](C)c1ccccc1 ZINC000617632147 356208910 /nfs/dbraw/zinc/20/89/10/356208910.db2.gz CIRSMMGHOOJLHJ-ZIAGYGMSSA-N 0 0 247.382 3.733 20 0 BHADRN CC[C@@H](C)CCNC(=O)c1cc2ccccc2o1 ZINC000617632332 356208952 /nfs/dbraw/zinc/20/89/52/356208952.db2.gz HBIHMDGUMYKKPI-LLVKDONJSA-N 0 0 245.322 3.599 20 0 BHADRN CC[C@H](C)CCNC(=O)c1cc2ccccc2o1 ZINC000617632333 356208801 /nfs/dbraw/zinc/20/88/01/356208801.db2.gz HBIHMDGUMYKKPI-NSHDSACASA-N 0 0 245.322 3.599 20 0 BHADRN CC[C@@H](C)CCNC(=O)c1cc(C)sc1C ZINC000617633054 356211568 /nfs/dbraw/zinc/21/15/68/356211568.db2.gz WDILCKZGCVZSRE-SECBINFHSA-N 0 0 239.384 3.531 20 0 BHADRN CC[C@H](C)CCNC(=O)c1cc(C)sc1C ZINC000617633055 356211629 /nfs/dbraw/zinc/21/16/29/356211629.db2.gz WDILCKZGCVZSRE-VIFPVBQESA-N 0 0 239.384 3.531 20 0 BHADRN CC[C@@H](C)CCNC(=O)C(C)(C)c1ccccc1 ZINC000617633812 356211908 /nfs/dbraw/zinc/21/19/08/356211908.db2.gz KEKCVYCBWUKGHY-CYBMUJFWSA-N 0 0 247.382 3.517 20 0 BHADRN CC[C@H](C)CCNC(=O)C(C)(C)c1ccccc1 ZINC000617633813 356211824 /nfs/dbraw/zinc/21/18/24/356211824.db2.gz KEKCVYCBWUKGHY-ZDUSSCGKSA-N 0 0 247.382 3.517 20 0 BHADRN CC[C@H](C)CCNC(=O)CCCc1ccccc1 ZINC000617635164 356223004 /nfs/dbraw/zinc/22/30/04/356223004.db2.gz KQBNRQRLIVZVAC-AWEZNQCLSA-N 0 0 247.382 3.562 20 0 BHADRN CC[C@@H](C)CCNC(=O)CCCc1ccccc1 ZINC000617635165 356223383 /nfs/dbraw/zinc/22/33/83/356223383.db2.gz KQBNRQRLIVZVAC-CQSZACIVSA-N 0 0 247.382 3.562 20 0 BHADRN CC[C@@H](C)CCNC(=O)c1coc2ccccc12 ZINC000617637122 356232964 /nfs/dbraw/zinc/23/29/64/356232964.db2.gz OKCIIESNFLHZGU-LLVKDONJSA-N 0 0 245.322 3.599 20 0 BHADRN CC[C@H](C)CCNC(=O)c1coc2ccccc12 ZINC000617637123 356232932 /nfs/dbraw/zinc/23/29/32/356232932.db2.gz OKCIIESNFLHZGU-NSHDSACASA-N 0 0 245.322 3.599 20 0 BHADRN CC[C@@H](C)CCNC(=O)C1(CC)CCCC1 ZINC000617638087 356239816 /nfs/dbraw/zinc/23/98/16/356239816.db2.gz GTHFWINRQZEBMR-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@H](C)CCNC(=O)C1(CC)CCCC1 ZINC000617638088 356239983 /nfs/dbraw/zinc/23/99/83/356239983.db2.gz GTHFWINRQZEBMR-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC1(C(=O)NCC[C@H](C)CC)CCC1 ZINC000617638373 356241620 /nfs/dbraw/zinc/24/16/20/356241620.db2.gz MBNJYRYMCXKMKV-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCC1(C(=O)NCC[C@@H](C)CC)CCC1 ZINC000617638374 356241587 /nfs/dbraw/zinc/24/15/87/356241587.db2.gz MBNJYRYMCXKMKV-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@@H](C)CCNC(=O)c1csc(C)c1C ZINC000617638494 356242118 /nfs/dbraw/zinc/24/21/18/356242118.db2.gz OSJONRGTZNOOEH-SECBINFHSA-N 0 0 239.384 3.531 20 0 BHADRN CC[C@H](C)CCNC(=O)c1csc(C)c1C ZINC000617638495 356241972 /nfs/dbraw/zinc/24/19/72/356241972.db2.gz OSJONRGTZNOOEH-VIFPVBQESA-N 0 0 239.384 3.531 20 0 BHADRN CC[C@@H](C)CCNC(=O)C1(C)CCCCC1 ZINC000617639242 356245592 /nfs/dbraw/zinc/24/55/92/356245592.db2.gz AWWJHGGPCNTJFA-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@H](C)CCNC(=O)C1(C)CCCCC1 ZINC000617639243 356245641 /nfs/dbraw/zinc/24/56/41/356245641.db2.gz AWWJHGGPCNTJFA-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CC[C@@H](C)CCNC(=O)c1ccsc1Cl ZINC000617640719 356252704 /nfs/dbraw/zinc/25/27/04/356252704.db2.gz BESBXUVUXSQWNP-MRVPVSSYSA-N 0 0 245.775 3.568 20 0 BHADRN CC[C@H](C)CCNC(=O)c1ccsc1Cl ZINC000617640720 356252389 /nfs/dbraw/zinc/25/23/89/356252389.db2.gz BESBXUVUXSQWNP-QMMMGPOBSA-N 0 0 245.775 3.568 20 0 BHADRN CC[C@@H](C)CCNC(=O)c1ccoc1C(C)C ZINC000617640749 356252346 /nfs/dbraw/zinc/25/23/46/356252346.db2.gz BLIYLBBTCJSUFC-LLVKDONJSA-N 0 0 237.343 3.569 20 0 BHADRN CC[C@H](C)CCNC(=O)c1ccoc1C(C)C ZINC000617640750 356252725 /nfs/dbraw/zinc/25/27/25/356252725.db2.gz BLIYLBBTCJSUFC-NSHDSACASA-N 0 0 237.343 3.569 20 0 BHADRN CC[C@@H](C)CCNC(=O)c1sccc1Cl ZINC000617641205 356257109 /nfs/dbraw/zinc/25/71/09/356257109.db2.gz LDDAPCLKBVWVKI-MRVPVSSYSA-N 0 0 245.775 3.568 20 0 BHADRN CC[C@H](C)CCNC(=O)c1sccc1Cl ZINC000617641206 356256907 /nfs/dbraw/zinc/25/69/07/356256907.db2.gz LDDAPCLKBVWVKI-QMMMGPOBSA-N 0 0 245.775 3.568 20 0 BHADRN CC[C@@H](C)CCNC(=O)c1occc1C(C)C ZINC000617642174 356255248 /nfs/dbraw/zinc/25/52/48/356255248.db2.gz YGYYXMBPNSFTGQ-LLVKDONJSA-N 0 0 237.343 3.569 20 0 BHADRN CC[C@H](C)CCNC(=O)c1occc1C(C)C ZINC000617642175 356255125 /nfs/dbraw/zinc/25/51/25/356255125.db2.gz YGYYXMBPNSFTGQ-NSHDSACASA-N 0 0 237.343 3.569 20 0 BHADRN CC[C@@H](C)CCNC(=O)C1(C2CCC2)CCC1 ZINC000617642690 356256284 /nfs/dbraw/zinc/25/62/84/356256284.db2.gz GLEOQFPRJZIROH-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@H](C)CCNC(=O)C1(C2CCC2)CCC1 ZINC000617642691 356256321 /nfs/dbraw/zinc/25/63/21/356256321.db2.gz GLEOQFPRJZIROH-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H](C)CCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000617642952 356254374 /nfs/dbraw/zinc/25/43/74/356254374.db2.gz MCTFMLPIHJFUDT-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H](C)CCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000617642953 356254522 /nfs/dbraw/zinc/25/45/22/356254522.db2.gz MCTFMLPIHJFUDT-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@H](C)CCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000617642954 356254438 /nfs/dbraw/zinc/25/44/38/356254438.db2.gz MCTFMLPIHJFUDT-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@H](C)CCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000617642955 356254436 /nfs/dbraw/zinc/25/44/36/356254436.db2.gz MCTFMLPIHJFUDT-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@@H](C)CCNC(=O)C1CCC2(CC2)CC1 ZINC000617643782 356259592 /nfs/dbraw/zinc/25/95/92/356259592.db2.gz YZNOKZJUXIPMLH-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CC[C@H](C)CCNC(=O)C1CCC2(CC2)CC1 ZINC000617643783 356259524 /nfs/dbraw/zinc/25/95/24/356259524.db2.gz YZNOKZJUXIPMLH-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN O=C(CCCC1CC1)N1CCC(C2CCC2)CC1 ZINC000617769479 356331595 /nfs/dbraw/zinc/33/15/95/356331595.db2.gz AHKSWSHHAFTTPF-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN C=C/C(C)=C/CC(=O)N1CCC(C2CCC2)CC1 ZINC000617770731 356331110 /nfs/dbraw/zinc/33/11/10/356331110.db2.gz UMFAVCJLOUCYRM-NTUHNPAUSA-N 0 0 247.382 3.548 20 0 BHADRN C=C/C(C)=C\CC(=O)N1CCC(C2CCC2)CC1 ZINC000617770732 356331067 /nfs/dbraw/zinc/33/10/67/356331067.db2.gz UMFAVCJLOUCYRM-QPEQYQDCSA-N 0 0 247.382 3.548 20 0 BHADRN O=C(C1=CCCCC1)N1CCC(C2CCC2)CC1 ZINC000617770810 356332798 /nfs/dbraw/zinc/33/27/98/356332798.db2.gz WPROQNSWDCUKAX-UHFFFAOYSA-N 0 0 247.382 3.526 20 0 BHADRN CCC1(C(=O)N2CCC(C3CCC3)CC2)CCC1 ZINC000617772475 356335875 /nfs/dbraw/zinc/33/58/75/356335875.db2.gz FJUOCWJYNOLJOV-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN CCCC1(C(=O)N2CCC(C3CCC3)CC2)CC1 ZINC000617772479 356335382 /nfs/dbraw/zinc/33/53/82/356335382.db2.gz FNKQIQGXAZTROX-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(CCC1CCC1)N1CCC(C2CCC2)CC1 ZINC000617772927 356335777 /nfs/dbraw/zinc/33/57/77/356335777.db2.gz WFBYWSGZPJBFHJ-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN CC1=C(C(=O)N2CCC(C3CCC3)CC2)CCC1 ZINC000617772936 356335787 /nfs/dbraw/zinc/33/57/87/356335787.db2.gz WNIOALVGQNOFQS-UHFFFAOYSA-N 0 0 247.382 3.526 20 0 BHADRN CC1(C(=O)N2CCC(C3CCC3)CC2)CCCC1 ZINC000617773131 356340617 /nfs/dbraw/zinc/34/06/17/356340617.db2.gz CHTGRNCFYLWLCM-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN CCCCCC(=O)N1CCC(C2CCC2)CC1 ZINC000617774179 356338067 /nfs/dbraw/zinc/33/80/67/356338067.db2.gz RSGBVKFINFGQJS-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN O=C(C1CCCCC1)N1CCC(C2CCC2)CC1 ZINC000617775523 356345485 /nfs/dbraw/zinc/34/54/85/356345485.db2.gz JELAGPXAYQFFDQ-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(CC1CCCC1)N1CCC(C2CCC2)CC1 ZINC000617775608 356345465 /nfs/dbraw/zinc/34/54/65/356345465.db2.gz NRXSPWUFJOUMHE-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN CCCC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000617913192 369048207 /nfs/dbraw/zinc/04/82/07/369048207.db2.gz AIVNKPQCDOZWOG-AWEZNQCLSA-N 0 0 247.338 3.523 20 0 BHADRN CCCC(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617913193 343582356 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/nfs/dbraw/zinc/87/76/50/369877650.db2.gz RNXNHQOSXYYCON-LQDVMPOASA-N 0 0 249.398 3.746 20 0 BHADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C ZINC000620437982 369877364 /nfs/dbraw/zinc/87/73/64/369877364.db2.gz YPVSCMLCGAODNH-HKJOBYGYSA-N 0 0 249.398 3.602 20 0 BHADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC000620437983 369877700 /nfs/dbraw/zinc/87/77/00/369877700.db2.gz YPVSCMLCGAODNH-IWNKAIHXSA-N 0 0 249.398 3.602 20 0 BHADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC000620437984 369877612 /nfs/dbraw/zinc/87/76/12/369877612.db2.gz YPVSCMLCGAODNH-OEWLLCOZSA-N 0 0 249.398 3.602 20 0 BHADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C ZINC000620437985 369877655 /nfs/dbraw/zinc/87/76/55/369877655.db2.gz YPVSCMLCGAODNH-SCXOTVEISA-N 0 0 249.398 3.602 20 0 BHADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CCC1 ZINC000620438469 369877373 /nfs/dbraw/zinc/87/73/73/369877373.db2.gz WPZHIKWJDASBJK-QXMXGUDHSA-N 0 0 249.398 3.602 20 0 BHADRN CCCCc1c(C)nn(CCCC)c1C ZINC000620439326 369878863 /nfs/dbraw/zinc/87/88/63/369878863.db2.gz XREHNZMSQCYVDP-UHFFFAOYSA-N 0 0 208.349 3.643 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CC=CCC1 ZINC000620467713 369891159 /nfs/dbraw/zinc/89/11/59/369891159.db2.gz VYIZHMSDWKSCPQ-ILXRZTDVSA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CC=CCC1 ZINC000620467714 369891370 /nfs/dbraw/zinc/89/13/70/369891370.db2.gz VYIZHMSDWKSCPQ-KFWWJZLASA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CC=CCC1 ZINC000620467715 369891513 /nfs/dbraw/zinc/89/15/13/369891513.db2.gz VYIZHMSDWKSCPQ-QLFBSQMISA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CC=CCC1 ZINC000620467716 369891449 /nfs/dbraw/zinc/89/14/49/369891449.db2.gz VYIZHMSDWKSCPQ-RBSFLKMASA-N 0 0 249.398 3.675 20 0 BHADRN CCCC[C@H](CC)C(=O)NC[C@H]1CC=CCC1 ZINC000620467826 369891233 /nfs/dbraw/zinc/89/12/33/369891233.db2.gz ZZEMZLPEKIBERK-KBPBESRZSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@H](CC)C(=O)NC[C@@H]1CC=CCC1 ZINC000620467827 369891466 /nfs/dbraw/zinc/89/14/66/369891466.db2.gz ZZEMZLPEKIBERK-KGLIPLIRSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@@H](CC)C(=O)NC[C@H]1CC=CCC1 ZINC000620467828 369891493 /nfs/dbraw/zinc/89/14/93/369891493.db2.gz ZZEMZLPEKIBERK-UONOGXRCSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@@H](CC)C(=O)NC[C@@H]1CC=CCC1 ZINC000620467829 344145403 /nfs/dbraw/zinc/14/54/03/344145403.db2.gz ZZEMZLPEKIBERK-ZIAGYGMSSA-N 0 0 237.387 3.675 20 0 BHADRN CC[C@@H](C)C(=O)NC1CCC(C2CCC2)CC1 ZINC000620468369 369892043 /nfs/dbraw/zinc/89/20/43/369892043.db2.gz BTUACDLKSAYOIK-LMWSTFAQSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)C(=O)NC1CCC(C2CCC2)CC1 ZINC000620468370 369892673 /nfs/dbraw/zinc/89/26/73/369892673.db2.gz BTUACDLKSAYOIK-XGNXJENSSA-N 0 0 237.387 3.508 20 0 BHADRN O=C(NC1CCC(C2CCC2)CC1)C1CCCC1 ZINC000620468976 369892562 /nfs/dbraw/zinc/89/25/62/369892562.db2.gz JXRWJJYJBLVDGK-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN CCCCC(=O)NC1CCC(C2CCC2)CC1 ZINC000620469336 369893638 /nfs/dbraw/zinc/89/36/38/369893638.db2.gz QAHVOOTVOWYWOZ-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)(C)C(=O)NC1CCC(C2CCC2)CC1 ZINC000620469590 369893364 /nfs/dbraw/zinc/89/33/64/369893364.db2.gz TXTGQEOXNOIWFS-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC(=O)NC1CCC(C2CCC2)CC1 ZINC000620469637 369893578 /nfs/dbraw/zinc/89/35/78/369893578.db2.gz VEWQSDREASJWON-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN CC1(C(=O)NC2CCC(C3CCC3)CC2)CCC1 ZINC000620472032 369894360 /nfs/dbraw/zinc/89/43/60/369894360.db2.gz AEJAWIASGPSNJF-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CCC1CC1)NC1CCC(C2CCC2)CC1 ZINC000620472133 369894336 /nfs/dbraw/zinc/89/43/36/369894336.db2.gz RTGKSBPWXUNKBX-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN CCC1(C(=O)NC2CCC(C3CCC3)CC2)CC1 ZINC000620472588 369895818 /nfs/dbraw/zinc/89/58/18/369895818.db2.gz PBAGJEGLEDTBSW-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(NC1CCC(C2CCC2)CC1)C1=CCCC1 ZINC000620472608 398277132 /nfs/dbraw/zinc/27/71/32/398277132.db2.gz PNOMSEQUOOCWHR-UHFFFAOYSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(CC1CCC1)NC1CCC(C2CCC2)CC1 ZINC000620472676 369895755 /nfs/dbraw/zinc/89/57/55/369895755.db2.gz SGTZGOREEUZRIF-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H](C(=O)NC1CCC(C2CCC2)CC1)C1CC1 ZINC000620472777 369895961 /nfs/dbraw/zinc/89/59/61/369895961.db2.gz WKWZJGFWTQQGCP-QGLTVNCISA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H](C(=O)NC1CCC(C2CCC2)CC1)C1CC1 ZINC000620472778 369895693 /nfs/dbraw/zinc/89/56/93/369895693.db2.gz WKWZJGFWTQQGCP-VCANKDNSSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(CC(=O)NC2CCC(C3CCC3)CC2)CC1 ZINC000620475177 369895707 /nfs/dbraw/zinc/89/57/07/369895707.db2.gz NTJJRLJXENSILJ-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN CCCCCNC(=O)N(CCCCC)C(C)C ZINC000620507515 369899528 /nfs/dbraw/zinc/89/95/28/369899528.db2.gz IBLBABAMRIKRNE-UHFFFAOYSA-N 0 0 242.407 3.787 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C ZINC000620562544 369924505 /nfs/dbraw/zinc/92/45/05/369924505.db2.gz AMXCKLUOOPEAGY-BFHYXJOUSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C ZINC000620562545 369924436 /nfs/dbraw/zinc/92/44/36/369924436.db2.gz AMXCKLUOOPEAGY-MCIONIFRSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C ZINC000620562546 369924252 /nfs/dbraw/zinc/92/42/52/369924252.db2.gz AMXCKLUOOPEAGY-MGPQQGTHSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C ZINC000620562547 369924351 /nfs/dbraw/zinc/92/43/51/369924351.db2.gz AMXCKLUOOPEAGY-MJBXVCDLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)C1CCC1 ZINC000620562563 369924741 /nfs/dbraw/zinc/92/47/41/369924741.db2.gz ASENBOQFAJXEPK-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)C1CCC1 ZINC000620562564 369924574 /nfs/dbraw/zinc/92/45/74/369924574.db2.gz ASENBOQFAJXEPK-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)C(C)C ZINC000620562763 369918076 /nfs/dbraw/zinc/91/80/76/369918076.db2.gz CVYNXJCHENPTAC-CYBMUJFWSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)C(C)C ZINC000620562764 369918945 /nfs/dbraw/zinc/91/89/45/369918945.db2.gz CVYNXJCHENPTAC-ZDUSSCGKSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC000620562821 369924698 /nfs/dbraw/zinc/92/46/98/369924698.db2.gz FEDIKURUPIBXFD-CYBMUJFWSA-N 0 0 248.370 3.590 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC000620562822 369924378 /nfs/dbraw/zinc/92/43/78/369924378.db2.gz FEDIKURUPIBXFD-ZDUSSCGKSA-N 0 0 248.370 3.590 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)CCC ZINC000620563908 369925308 /nfs/dbraw/zinc/92/53/08/369925308.db2.gz SQDATTMHAXCKHO-CYBMUJFWSA-N 0 0 225.376 3.748 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)CCC ZINC000620563909 369925636 /nfs/dbraw/zinc/92/56/36/369925636.db2.gz SQDATTMHAXCKHO-ZDUSSCGKSA-N 0 0 225.376 3.748 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)[C@@H](C)CC ZINC000620564071 369925486 /nfs/dbraw/zinc/92/54/86/369925486.db2.gz UKXQUDKMZMSDIK-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)[C@H](C)CC ZINC000620564078 369925256 /nfs/dbraw/zinc/92/52/56/369925256.db2.gz UKXQUDKMZMSDIK-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)[C@@H](C)CC ZINC000620564082 369925424 /nfs/dbraw/zinc/92/54/24/369925424.db2.gz UKXQUDKMZMSDIK-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)[C@H](C)CC ZINC000620564083 369925348 /nfs/dbraw/zinc/92/53/48/369925348.db2.gz UKXQUDKMZMSDIK-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)c1ccoc1 ZINC000620564135 344266763 /nfs/dbraw/zinc/26/67/63/344266763.db2.gz VDKVAYFRQKZNER-AWEZNQCLSA-N 0 0 249.354 3.855 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC000620564136 344266807 /nfs/dbraw/zinc/26/68/07/344266807.db2.gz VDKVAYFRQKZNER-CQSZACIVSA-N 0 0 249.354 3.855 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)CC1CC1 ZINC000620564150 369925334 /nfs/dbraw/zinc/92/53/34/369925334.db2.gz VJHFDQJWJDNOHF-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)CC1CC1 ZINC000620564151 369925284 /nfs/dbraw/zinc/92/52/84/369925284.db2.gz VJHFDQJWJDNOHF-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000620564162 369925399 /nfs/dbraw/zinc/92/53/99/369925399.db2.gz VTBHEJDZOIHKQP-CYBMUJFWSA-N 0 0 249.354 3.855 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)c1ccco1 ZINC000620564196 369925410 /nfs/dbraw/zinc/92/54/10/369925410.db2.gz VTBHEJDZOIHKQP-ZDUSSCGKSA-N 0 0 249.354 3.855 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C ZINC000620564462 369925734 /nfs/dbraw/zinc/92/57/34/369925734.db2.gz AMXCKLUOOPEAGY-HZSPNIEDSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C ZINC000620564463 369925352 /nfs/dbraw/zinc/92/53/52/369925352.db2.gz AMXCKLUOOPEAGY-IHRRRGAJSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC000620565519 344269413 /nfs/dbraw/zinc/26/94/13/344269413.db2.gz UCFDRCJYJUXMPK-HNNXBMFYSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)C1CC=CC1 ZINC000620565521 344269286 /nfs/dbraw/zinc/26/92/86/344269286.db2.gz UCFDRCJYJUXMPK-OAHLLOKOSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)c1cc[nH]c1 ZINC000620565624 369925618 /nfs/dbraw/zinc/92/56/18/369925618.db2.gz WRPYJFSABLIKKM-AWEZNQCLSA-N 0 0 248.370 3.590 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)c1cc[nH]c1 ZINC000620565625 344269409 /nfs/dbraw/zinc/26/94/09/344269409.db2.gz WRPYJFSABLIKKM-CQSZACIVSA-N 0 0 248.370 3.590 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)CCCF ZINC000620566244 369925468 /nfs/dbraw/zinc/92/54/68/369925468.db2.gz HFIPHZLBOOJANV-CYBMUJFWSA-N 0 0 243.366 3.698 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)CCCF ZINC000620566245 369925404 /nfs/dbraw/zinc/92/54/04/369925404.db2.gz HFIPHZLBOOJANV-ZDUSSCGKSA-N 0 0 243.366 3.698 20 0 BHADRN CCCCC[C@H]1CCCCN1C(=O)[C@@H]1CC12CC2 ZINC000620567118 369925578 /nfs/dbraw/zinc/92/55/78/369925578.db2.gz XXPXSHJRNXVMBM-KBPBESRZSA-N 0 0 249.398 3.748 20 0 BHADRN CCCCC[C@@H]1CCCCN1C(=O)[C@@H]1CC12CC2 ZINC000620567119 369925671 /nfs/dbraw/zinc/92/56/71/369925671.db2.gz 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/nfs/dbraw/zinc/54/19/01/370541901.db2.gz DWNBRWJLEKVSPU-JTQLQIEISA-N 0 0 248.326 3.892 20 0 BHADRN CCC(C)(CC)c1nc([C@H](C)c2ccco2)no1 ZINC000621795247 370541571 /nfs/dbraw/zinc/54/15/71/370541571.db2.gz DWNBRWJLEKVSPU-SNVBAGLBSA-N 0 0 248.326 3.892 20 0 BHADRN CC(C)C(C)(C)c1nc([C@@H](C)c2ccco2)no1 ZINC000621795466 370542605 /nfs/dbraw/zinc/54/26/05/370542605.db2.gz JEFUIODWNJEFQI-JTQLQIEISA-N 0 0 248.326 3.748 20 0 BHADRN CC(C)C(C)(C)c1nc([C@H](C)c2ccco2)no1 ZINC000621795467 370542832 /nfs/dbraw/zinc/54/28/32/370542832.db2.gz JEFUIODWNJEFQI-SNVBAGLBSA-N 0 0 248.326 3.748 20 0 BHADRN C[C@H](c1ccco1)c1noc([C@@H]2CC[C@@H](C)C2)n1 ZINC000621795688 370542740 /nfs/dbraw/zinc/54/27/40/370542740.db2.gz OFPHYWGSRTXELU-GMTAPVOTSA-N 0 0 246.310 3.718 20 0 BHADRN C[C@H](c1ccco1)c1noc([C@H]2CC[C@@H](C)C2)n1 ZINC000621795689 343918041 /nfs/dbraw/zinc/91/80/41/343918041.db2.gz OFPHYWGSRTXELU-MXWKQRLJSA-N 0 0 246.310 3.718 20 0 BHADRN C[C@@H](c1ccco1)c1noc([C@@H]2CC[C@@H](C)C2)n1 ZINC000621795690 343918228 /nfs/dbraw/zinc/91/82/28/343918228.db2.gz OFPHYWGSRTXELU-OUAUKWLOSA-N 0 0 246.310 3.718 20 0 BHADRN C[C@@H](c1ccco1)c1noc([C@H]2CC[C@@H](C)C2)n1 ZINC000621795691 343918086 /nfs/dbraw/zinc/91/80/86/343918086.db2.gz OFPHYWGSRTXELU-VWYCJHECSA-N 0 0 246.310 3.718 20 0 BHADRN CC(C)[C@H]1C[C@@H]1c1nc([C@@H](C)c2ccco2)no1 ZINC000621796206 370542688 /nfs/dbraw/zinc/54/26/88/370542688.db2.gz YSUSBMLECBRGFA-AXFHLTTASA-N 0 0 246.310 3.574 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1c1nc([C@@H](C)c2ccco2)no1 ZINC000621796207 370542617 /nfs/dbraw/zinc/54/26/17/370542617.db2.gz YSUSBMLECBRGFA-DCAQKATOSA-N 0 0 246.310 3.574 20 0 BHADRN CC(C)[C@@H]1C[C@H]1c1nc([C@@H](C)c2ccco2)no1 ZINC000621796208 370542644 /nfs/dbraw/zinc/54/26/44/370542644.db2.gz YSUSBMLECBRGFA-GARJFASQSA-N 0 0 246.310 3.574 20 0 BHADRN CC(C)[C@H]1C[C@H]1c1nc([C@@H](C)c2ccco2)no1 ZINC000621796209 370542737 /nfs/dbraw/zinc/54/27/37/370542737.db2.gz YSUSBMLECBRGFA-HBNTYKKESA-N 0 0 246.310 3.574 20 0 BHADRN C[C@@H](c1ccco1)c1noc(C2=CCCCC2)n1 ZINC000621796212 370542816 /nfs/dbraw/zinc/54/28/16/370542816.db2.gz YTRKLTVIASQTCB-JTQLQIEISA-N 0 0 244.294 3.772 20 0 BHADRN C[C@H](c1ccco1)c1noc(C2=CCCCC2)n1 ZINC000621796213 370542724 /nfs/dbraw/zinc/54/27/24/370542724.db2.gz YTRKLTVIASQTCB-SNVBAGLBSA-N 0 0 244.294 3.772 20 0 BHADRN CCCC1(c2nc([C@@H](C)c3ccco3)no2)CC1 ZINC000621796496 370542692 /nfs/dbraw/zinc/54/26/92/370542692.db2.gz BIOMOTDQWOKUQM-JTQLQIEISA-N 0 0 246.310 3.646 20 0 BHADRN CCCC1(c2nc([C@H](C)c3ccco3)no2)CC1 ZINC000621796497 370542603 /nfs/dbraw/zinc/54/26/03/370542603.db2.gz BIOMOTDQWOKUQM-SNVBAGLBSA-N 0 0 246.310 3.646 20 0 BHADRN C[C@@H](c1ccco1)c1noc(CCC(C)(C)C)n1 ZINC000621796528 370542612 /nfs/dbraw/zinc/54/26/12/370542612.db2.gz BWLGBUZZNIBTTL-JTQLQIEISA-N 0 0 248.326 3.793 20 0 BHADRN C[C@H](c1ccco1)c1noc(CCC(C)(C)C)n1 ZINC000621796529 370542750 /nfs/dbraw/zinc/54/27/50/370542750.db2.gz BWLGBUZZNIBTTL-SNVBAGLBSA-N 0 0 248.326 3.793 20 0 BHADRN C[C@@H](c1ccco1)c1noc(CCC2CCC2)n1 ZINC000621796804 370542908 /nfs/dbraw/zinc/54/29/08/370542908.db2.gz HXIAWERXBADOBO-JTQLQIEISA-N 0 0 246.310 3.547 20 0 BHADRN C[C@H](c1ccco1)c1noc(CCC2CCC2)n1 ZINC000621796805 370542599 /nfs/dbraw/zinc/54/25/99/370542599.db2.gz HXIAWERXBADOBO-SNVBAGLBSA-N 0 0 246.310 3.547 20 0 BHADRN CCC(CC)c1nc([C@H](C)c2ccco2)no1 ZINC000621796814 370542695 /nfs/dbraw/zinc/54/26/95/370542695.db2.gz IEGQYSXFRHFPCS-SECBINFHSA-N 0 0 234.299 3.718 20 0 BHADRN CCC(CC)c1nc([C@@H](C)c2ccco2)no1 ZINC000621796815 370542731 /nfs/dbraw/zinc/54/27/31/370542731.db2.gz IEGQYSXFRHFPCS-VIFPVBQESA-N 0 0 234.299 3.718 20 0 BHADRN CCC(CC)Cc1nc([C@@H](C)c2ccco2)no1 ZINC000621796870 370542823 /nfs/dbraw/zinc/54/28/23/370542823.db2.gz JKYDOYAHHBFGFF-JTQLQIEISA-N 0 0 248.326 3.793 20 0 BHADRN CCC(CC)Cc1nc([C@H](C)c2ccco2)no1 ZINC000621796871 370542720 /nfs/dbraw/zinc/54/27/20/370542720.db2.gz JKYDOYAHHBFGFF-SNVBAGLBSA-N 0 0 248.326 3.793 20 0 BHADRN C[C@@H](c1ccco1)c1noc(C2(C)CCCC2)n1 ZINC000621796904 370542777 /nfs/dbraw/zinc/54/27/77/370542777.db2.gz KFOVWJHSRFHKDY-JTQLQIEISA-N 0 0 246.310 3.646 20 0 BHADRN C[C@H](c1ccco1)c1noc(C2(C)CCCC2)n1 ZINC000621796905 370542654 /nfs/dbraw/zinc/54/26/54/370542654.db2.gz KFOVWJHSRFHKDY-SNVBAGLBSA-N 0 0 246.310 3.646 20 0 BHADRN CCC[C@@H](C)c1nc([C@H](C)c2ccco2)no1 ZINC000621796941 370543967 /nfs/dbraw/zinc/54/39/67/370543967.db2.gz KYBQCTGEKCATIK-NXEZZACHSA-N 0 0 234.299 3.718 20 0 BHADRN CCC[C@H](C)c1nc([C@@H](C)c2ccco2)no1 ZINC000621796942 370543993 /nfs/dbraw/zinc/54/39/93/370543993.db2.gz KYBQCTGEKCATIK-UWVGGRQHSA-N 0 0 234.299 3.718 20 0 BHADRN CCC[C@H](C)c1nc([C@H](C)c2ccco2)no1 ZINC000621796943 370543815 /nfs/dbraw/zinc/54/38/15/370543815.db2.gz KYBQCTGEKCATIK-VHSXEESVSA-N 0 0 234.299 3.718 20 0 BHADRN CCC[C@@H](C)c1nc([C@@H](C)c2ccco2)no1 ZINC000621796944 370543561 /nfs/dbraw/zinc/54/35/61/370543561.db2.gz KYBQCTGEKCATIK-ZJUUUORDSA-N 0 0 234.299 3.718 20 0 BHADRN CCC(C)(C)Cc1nc([C@@H](C)c2ccco2)no1 ZINC000621796995 370543593 /nfs/dbraw/zinc/54/35/93/370543593.db2.gz LVDDDDAQSXSFQQ-JTQLQIEISA-N 0 0 248.326 3.793 20 0 BHADRN CCC(C)(C)Cc1nc([C@H](C)c2ccco2)no1 ZINC000621796996 370543862 /nfs/dbraw/zinc/54/38/62/370543862.db2.gz LVDDDDAQSXSFQQ-SNVBAGLBSA-N 0 0 248.326 3.793 20 0 BHADRN C[C@H](c1noc(/C=C\C(C)(C)C)n1)c1ccco1 ZINC000621797015 370544011 /nfs/dbraw/zinc/54/40/11/370544011.db2.gz MBAPNTPJHAZGBK-DMEOUFDRSA-N 0 0 246.310 3.874 20 0 BHADRN C[C@@H](c1noc(/C=C\C(C)(C)C)n1)c1ccco1 ZINC000621797016 370542830 /nfs/dbraw/zinc/54/28/30/370542830.db2.gz MBAPNTPJHAZGBK-GQYWMQPJSA-N 0 0 246.310 3.874 20 0 BHADRN C[C@H](c1noc(/C=C/C(C)(C)C)n1)c1ccco1 ZINC000621797017 370542598 /nfs/dbraw/zinc/54/25/98/370542598.db2.gz MBAPNTPJHAZGBK-JARNTUPDSA-N 0 0 246.310 3.874 20 0 BHADRN C[C@@H](c1noc(/C=C/C(C)(C)C)n1)c1ccco1 ZINC000621797018 370542743 /nfs/dbraw/zinc/54/27/43/370542743.db2.gz MBAPNTPJHAZGBK-QROSGCPLSA-N 0 0 246.310 3.874 20 0 BHADRN CCC1(c2nc([C@@H](C)c3ccco3)no2)CCC1 ZINC000621797233 370544032 /nfs/dbraw/zinc/54/40/32/370544032.db2.gz PHLPEVVQLWRVKZ-JTQLQIEISA-N 0 0 246.310 3.646 20 0 BHADRN CCC1(c2nc([C@H](C)c3ccco3)no2)CCC1 ZINC000621797234 370543937 /nfs/dbraw/zinc/54/39/37/370543937.db2.gz PHLPEVVQLWRVKZ-SNVBAGLBSA-N 0 0 246.310 3.646 20 0 BHADRN CC1=C(c2nc([C@@H](C)c3ccco3)no2)CCC1 ZINC000621797259 370544017 /nfs/dbraw/zinc/54/40/17/370544017.db2.gz QDIJOEISEAVTRW-JTQLQIEISA-N 0 0 244.294 3.772 20 0 BHADRN CC1=C(c2nc([C@H](C)c3ccco3)no2)CCC1 ZINC000621797260 370543529 /nfs/dbraw/zinc/54/35/29/370543529.db2.gz QDIJOEISEAVTRW-SNVBAGLBSA-N 0 0 244.294 3.772 20 0 BHADRN CCC(C)(C)c1nc([C@H](C)c2ccco2)no1 ZINC000621797289 370543615 /nfs/dbraw/zinc/54/36/15/370543615.db2.gz QVVMMGWHKVROPX-SECBINFHSA-N 0 0 234.299 3.502 20 0 BHADRN CCC(C)(C)c1nc([C@@H](C)c2ccco2)no1 ZINC000621797290 370543788 /nfs/dbraw/zinc/54/37/88/370543788.db2.gz QVVMMGWHKVROPX-VIFPVBQESA-N 0 0 234.299 3.502 20 0 BHADRN C[C@H](c1ccco1)c1noc([C@@H](C)C(C)(C)C)n1 ZINC000621797373 370543846 /nfs/dbraw/zinc/54/38/46/370543846.db2.gz TUAAAQOCGWGYCR-NXEZZACHSA-N 0 0 248.326 3.964 20 0 BHADRN C[C@@H](c1ccco1)c1noc([C@H](C)C(C)(C)C)n1 ZINC000621797374 370543997 /nfs/dbraw/zinc/54/39/97/370543997.db2.gz TUAAAQOCGWGYCR-UWVGGRQHSA-N 0 0 248.326 3.964 20 0 BHADRN C[C@@H](c1ccco1)c1noc([C@@H](C)C(C)(C)C)n1 ZINC000621797375 370543598 /nfs/dbraw/zinc/54/35/98/370543598.db2.gz TUAAAQOCGWGYCR-VHSXEESVSA-N 0 0 248.326 3.964 20 0 BHADRN C[C@@H](c1nc([C@H](C)c2ccco2)no1)C(C)(C)C ZINC000621797376 370543975 /nfs/dbraw/zinc/54/39/75/370543975.db2.gz TUAAAQOCGWGYCR-ZJUUUORDSA-N 0 0 248.326 3.964 20 0 BHADRN C/C(=C\c1nc([C@H](C)c2ccco2)no1)C1CC1 ZINC000621797880 370543766 /nfs/dbraw/zinc/54/37/66/370543766.db2.gz DVNLYLDFIHNFRZ-AAXQSMANSA-N 0 0 244.294 3.628 20 0 BHADRN C/C(=C\c1nc([C@@H](C)c2ccco2)no1)C1CC1 ZINC000621797881 370543832 /nfs/dbraw/zinc/54/38/32/370543832.db2.gz DVNLYLDFIHNFRZ-DDXVTDLHSA-N 0 0 244.294 3.628 20 0 BHADRN C/C(=C/c1nc([C@H](C)c2ccco2)no1)C1CC1 ZINC000621797882 370543746 /nfs/dbraw/zinc/54/37/46/370543746.db2.gz DVNLYLDFIHNFRZ-HSTULFTRSA-N 0 0 244.294 3.628 20 0 BHADRN C/C(=C/c1nc([C@@H](C)c2ccco2)no1)C1CC1 ZINC000621797883 370544028 /nfs/dbraw/zinc/54/40/28/370544028.db2.gz DVNLYLDFIHNFRZ-QROTZFDESA-N 0 0 244.294 3.628 20 0 BHADRN CCC[C@@H](C)Cc1nc([C@H](C)c2ccco2)no1 ZINC000621798032 370544022 /nfs/dbraw/zinc/54/40/22/370544022.db2.gz HRTVFRNXWYQEGJ-GHMZBOCLSA-N 0 0 248.326 3.793 20 0 BHADRN CCC[C@@H](C)Cc1nc([C@@H](C)c2ccco2)no1 ZINC000621798033 370543680 /nfs/dbraw/zinc/54/36/80/370543680.db2.gz HRTVFRNXWYQEGJ-MNOVXSKESA-N 0 0 248.326 3.793 20 0 BHADRN CCC[C@H](C)Cc1nc([C@@H](C)c2ccco2)no1 ZINC000621798034 370543821 /nfs/dbraw/zinc/54/38/21/370543821.db2.gz HRTVFRNXWYQEGJ-QWRGUYRKSA-N 0 0 248.326 3.793 20 0 BHADRN CCC[C@H](C)Cc1nc([C@H](C)c2ccco2)no1 ZINC000621798035 370543704 /nfs/dbraw/zinc/54/37/04/370543704.db2.gz HRTVFRNXWYQEGJ-WDEREUQCSA-N 0 0 248.326 3.793 20 0 BHADRN C[C@@H](c1ccco1)c1noc(C=C2CCCC2)n1 ZINC000621798517 370543923 /nfs/dbraw/zinc/54/39/23/370543923.db2.gz RLQDLYVFLCLFCL-JTQLQIEISA-N 0 0 244.294 3.772 20 0 BHADRN C[C@H](c1ccco1)c1noc(C=C2CCCC2)n1 ZINC000621798518 370544038 /nfs/dbraw/zinc/54/40/38/370544038.db2.gz RLQDLYVFLCLFCL-SNVBAGLBSA-N 0 0 244.294 3.772 20 0 BHADRN C[C@H](c1ccco1)c1noc([C@@H]2CC=CCC2)n1 ZINC000621799643 370544793 /nfs/dbraw/zinc/54/47/93/370544793.db2.gz GPBMOMCYIZPSIU-GHMZBOCLSA-N 0 0 244.294 3.638 20 0 BHADRN C[C@H](c1ccco1)c1noc([C@H]2CC=CCC2)n1 ZINC000621799644 370545099 /nfs/dbraw/zinc/54/50/99/370545099.db2.gz GPBMOMCYIZPSIU-MNOVXSKESA-N 0 0 244.294 3.638 20 0 BHADRN C[C@@H](c1ccco1)c1noc([C@H]2CC=CCC2)n1 ZINC000621799645 398097627 /nfs/dbraw/zinc/09/76/27/398097627.db2.gz GPBMOMCYIZPSIU-QWRGUYRKSA-N 0 0 244.294 3.638 20 0 BHADRN C[C@@H](c1ccco1)c1noc([C@@H]2CC=CCC2)n1 ZINC000621799646 398097650 /nfs/dbraw/zinc/09/76/50/398097650.db2.gz GPBMOMCYIZPSIU-WDEREUQCSA-N 0 0 244.294 3.638 20 0 BHADRN C[C@@H](c1ccco1)c1noc(CC2CCCC2)n1 ZINC000621799673 398097832 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/nfs/dbraw/zinc/47/94/90/344479490.db2.gz YTHPKLLDVYRFTE-CYBMUJFWSA-N 0 0 247.382 3.858 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)c1c(C)cccc1C ZINC000622915152 344479302 /nfs/dbraw/zinc/47/93/02/344479302.db2.gz YTHPKLLDVYRFTE-ZDUSSCGKSA-N 0 0 247.382 3.858 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC000622915206 344479327 /nfs/dbraw/zinc/47/93/27/344479327.db2.gz ZWNPBWLDCPBGIL-LLVKDONJSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)C(C)(C)C(C)C ZINC000622915207 344479511 /nfs/dbraw/zinc/47/95/11/344479511.db2.gz ZWNPBWLDCPBGIL-NSHDSACASA-N 0 0 227.392 3.610 20 0 BHADRN CCc1ccc(C)nc1NC(=O)[C@@H](C)C(C)(C)C ZINC000622915571 384955611 /nfs/dbraw/zinc/95/56/11/384955611.db2.gz HXGOVHRZNFRJLM-LLVKDONJSA-N 0 0 248.370 3.573 20 0 BHADRN CCc1ccc(C)nc1NC(=O)[C@H](C)C(C)(C)C ZINC000622915572 384955770 /nfs/dbraw/zinc/95/57/70/384955770.db2.gz HXGOVHRZNFRJLM-NSHDSACASA-N 0 0 248.370 3.573 20 0 BHADRN CCCC(C)(C)C(=O)Nc1nc(C)ccc1CC ZINC000622915910 384954788 /nfs/dbraw/zinc/95/47/88/384954788.db2.gz UQKIMTNWWPMKBQ-UHFFFAOYSA-N 0 0 248.370 3.717 20 0 BHADRN CCCCCC(=O)Nc1ccc(C(F)F)nc1 ZINC000622925151 344484027 /nfs/dbraw/zinc/48/40/27/344484027.db2.gz VJEQLNVRGWIVJB-UHFFFAOYSA-N 0 0 242.269 3.538 20 0 BHADRN CCC(C)(C)C(=O)Nc1nccc(C)c1C1CC1 ZINC000622925422 344485630 /nfs/dbraw/zinc/48/56/30/344485630.db2.gz BYTVDEFQGFUJQM-UHFFFAOYSA-N 0 0 246.354 3.642 20 0 BHADRN CCCCC(=O)N(C)c1ccc(F)cc1Cl ZINC000622930035 344488713 /nfs/dbraw/zinc/48/87/13/344488713.db2.gz KYMYNJRHAIVTHE-UHFFFAOYSA-N 0 0 243.709 3.632 20 0 BHADRN O=C(Nc1ccc2c(c1)C=CCCC2)C1=CCC1 ZINC000622942293 344498397 /nfs/dbraw/zinc/49/83/97/344498397.db2.gz DDWUEVJSQRQDQA-UHFFFAOYSA-N 0 0 239.318 3.695 20 0 BHADRN CC[C@](C)(NC(=O)c1occc1C(C)C)C1CC1 ZINC000622950154 344505044 /nfs/dbraw/zinc/50/50/44/344505044.db2.gz OJCYCBNCJDVIQG-HNNXBMFYSA-N 0 0 249.354 3.712 20 0 BHADRN CC[C@@](C)(NC(=O)c1occc1C(C)C)C1CC1 ZINC000622950155 344504941 /nfs/dbraw/zinc/50/49/41/344504941.db2.gz OJCYCBNCJDVIQG-OAHLLOKOSA-N 0 0 249.354 3.712 20 0 BHADRN CCCC(=O)Nc1cc(C)ccc1C(F)(F)F ZINC000622954780 344506372 /nfs/dbraw/zinc/50/63/72/344506372.db2.gz DNAHAJSICDORLX-UHFFFAOYSA-N 0 0 245.244 3.752 20 0 BHADRN Cc1ccc(C(F)(F)F)c(NC(=O)C(C)C)c1 ZINC000622955300 344506255 /nfs/dbraw/zinc/50/62/55/344506255.db2.gz ZXFLUPKDLBSNMO-UHFFFAOYSA-N 0 0 245.244 3.608 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)N(c1cccc(F)c1)C(C)C ZINC000622971024 344520936 /nfs/dbraw/zinc/52/09/36/344520936.db2.gz AKBZHQNXYCHFRQ-BXUZGUMPSA-N 0 0 249.329 3.613 20 0 BHADRN CC(C)N(C(=O)CC1(C)CC1)c1cccc(F)c1 ZINC000622971401 344520903 /nfs/dbraw/zinc/52/09/03/344520903.db2.gz OYYQJWMCQXHFSD-UHFFFAOYSA-N 0 0 249.329 3.757 20 0 BHADRN CC(C)N(C(=O)[C@H]1CC1(C)C)c1cccc(F)c1 ZINC000622971795 344520841 /nfs/dbraw/zinc/52/08/41/344520841.db2.gz DXTHKDUODCISDM-CYBMUJFWSA-N 0 0 249.329 3.613 20 0 BHADRN CC(C)N(C(=O)C1CC=CC1)c1cccc(F)c1 ZINC000622971806 344520715 /nfs/dbraw/zinc/52/07/15/344520715.db2.gz FOPWFDBYPXYSCU-UHFFFAOYSA-N 0 0 247.313 3.533 20 0 BHADRN CC(C)N(C(=O)C1CC(C)C1)c1cccc(F)c1 ZINC000622971817 344520698 /nfs/dbraw/zinc/52/06/98/344520698.db2.gz GCXBSLUMVFTWDC-UHFFFAOYSA-N 0 0 249.329 3.613 20 0 BHADRN CC(C)N(C(=O)CC1CCC1)c1cccc(F)c1 ZINC000622971841 344521026 /nfs/dbraw/zinc/52/10/26/344521026.db2.gz HFCKJDXOXRSJPY-UHFFFAOYSA-N 0 0 249.329 3.757 20 0 BHADRN CC(C)N(C(=O)[C@H](C)C1CC1)c1cccc(F)c1 ZINC000622972057 344520964 /nfs/dbraw/zinc/52/09/64/344520964.db2.gz OSTUCVPXCMPWLX-LLVKDONJSA-N 0 0 249.329 3.613 20 0 BHADRN CC(C)N(C(=O)[C@@H](C)C1CC1)c1cccc(F)c1 ZINC000622972058 344520953 /nfs/dbraw/zinc/52/09/53/344520953.db2.gz OSTUCVPXCMPWLX-NSHDSACASA-N 0 0 249.329 3.613 20 0 BHADRN CC(C)N(C(=O)CCC1CC1)c1cccc(F)c1 ZINC000622972085 344520771 /nfs/dbraw/zinc/52/07/71/344520771.db2.gz QBNCKKPOEXWCKE-UHFFFAOYSA-N 0 0 249.329 3.757 20 0 BHADRN CCCCC(=O)N(c1cccc(F)c1)C(C)C ZINC000622972477 344522648 /nfs/dbraw/zinc/52/26/48/344522648.db2.gz FNCAVLOBDYBXTQ-UHFFFAOYSA-N 0 0 237.318 3.757 20 0 BHADRN CC[C@@H](C)C(=O)N(c1cccc(F)c1)C(C)C ZINC000622972548 344522854 /nfs/dbraw/zinc/52/28/54/344522854.db2.gz IUIHLFDQHNMHGV-LLVKDONJSA-N 0 0 237.318 3.613 20 0 BHADRN CC[C@H](C)C(=O)N(c1cccc(F)c1)C(C)C ZINC000622972549 344522744 /nfs/dbraw/zinc/52/27/44/344522744.db2.gz IUIHLFDQHNMHGV-NSHDSACASA-N 0 0 237.318 3.613 20 0 BHADRN CC(C)CC(=O)N(c1cccc(F)c1)C(C)C ZINC000622972579 344522667 /nfs/dbraw/zinc/52/26/67/344522667.db2.gz KBQJSKHFJXPGKI-UHFFFAOYSA-N 0 0 237.318 3.613 20 0 BHADRN CC(C)N(C(=O)C1CCCC1)c1cccc(F)c1 ZINC000622972726 344522723 /nfs/dbraw/zinc/52/27/23/344522723.db2.gz QDSYDQXJXXLFDL-UHFFFAOYSA-N 0 0 249.329 3.757 20 0 BHADRN CC(C)CC1(NC(=O)c2occc2C(C)C)CC1 ZINC000622973043 344522887 /nfs/dbraw/zinc/52/28/87/344522887.db2.gz FKUFBGXOBLSHHP-UHFFFAOYSA-N 0 0 249.354 3.712 20 0 BHADRN CC1(C)C[C@]1(C)NC(=O)c1sccc1C1CC1 ZINC000622973071 344522954 /nfs/dbraw/zinc/52/29/54/344522954.db2.gz HREAILOADOCCAK-AWEZNQCLSA-N 0 0 249.379 3.544 20 0 BHADRN CC1(C)C[C@@]1(C)NC(=O)c1sccc1C1CC1 ZINC000622973072 344523003 /nfs/dbraw/zinc/52/30/03/344523003.db2.gz HREAILOADOCCAK-CQSZACIVSA-N 0 0 249.379 3.544 20 0 BHADRN CC1(C)C[C@]1(C)NC(=O)C(C1CCC1)C1CCC1 ZINC000622973132 344522827 /nfs/dbraw/zinc/52/28/27/344522827.db2.gz KYNHMQYQARLDCK-INIZCTEOSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)C[C@@]1(C)NC(=O)C(C1CCC1)C1CCC1 ZINC000622973133 344522600 /nfs/dbraw/zinc/52/26/00/344522600.db2.gz KYNHMQYQARLDCK-MRXNPFEDSA-N 0 0 249.398 3.508 20 0 BHADRN CCC(=O)N(C(C)C)[C@@H](CC)c1ccccc1 ZINC000622973488 344521588 /nfs/dbraw/zinc/52/15/88/344521588.db2.gz CSEKZAYKPWGCKJ-AWEZNQCLSA-N 0 0 233.355 3.785 20 0 BHADRN CCC(=O)N(C(C)C)[C@H](CC)c1ccccc1 ZINC000622973489 344521376 /nfs/dbraw/zinc/52/13/76/344521376.db2.gz CSEKZAYKPWGCKJ-CQSZACIVSA-N 0 0 233.355 3.785 20 0 BHADRN CC[C@@H](c1ccccc1)N(C(=O)C1CC1)C(C)C ZINC000622973743 344521931 /nfs/dbraw/zinc/52/19/31/344521931.db2.gz MURUCMNRGHIVEV-HNNXBMFYSA-N 0 0 245.366 3.785 20 0 BHADRN CC[C@H](c1ccccc1)N(C(=O)C1CC1)C(C)C ZINC000622973744 344522314 /nfs/dbraw/zinc/52/23/14/344522314.db2.gz MURUCMNRGHIVEV-OAHLLOKOSA-N 0 0 245.366 3.785 20 0 BHADRN CCCC1(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000622988649 344527783 /nfs/dbraw/zinc/52/77/83/344527783.db2.gz NYRQTUPWKBNEBL-KBPBESRZSA-N 0 0 249.398 3.748 20 0 BHADRN CC(C)(C(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000622988710 344527800 /nfs/dbraw/zinc/52/78/00/344527800.db2.gz QGORBAFBUQTEBZ-JSGCOSHPSA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000623010160 346147524 /nfs/dbraw/zinc/14/75/24/346147524.db2.gz TWDRLBAQVPLHKW-GFCCVEGCSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000623010161 346147514 /nfs/dbraw/zinc/14/75/14/346147514.db2.gz TWDRLBAQVPLHKW-LBPRGKRZSA-N 0 0 247.329 3.507 20 0 BHADRN Cc1ccccc1N(C)C(=O)C1CC2(CCC2)C1 ZINC000623010913 346271622 /nfs/dbraw/zinc/27/16/22/346271622.db2.gz GNCZBPIQKGUFSK-UHFFFAOYSA-N 0 0 243.350 3.538 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC000623010964 346281010 /nfs/dbraw/zinc/28/10/10/346281010.db2.gz KCPHATHXPHRFHK-MQMHXKEQSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@@H]1CCCC[C@@H]1C ZINC000623011068 346283403 /nfs/dbraw/zinc/28/34/03/346283403.db2.gz RTTBZHKTCUSMRE-GXTWGEPZSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@H]1CCCC[C@@H]1C ZINC000623011069 346283226 /nfs/dbraw/zinc/28/32/26/346283226.db2.gz RTTBZHKTCUSMRE-JSGCOSHPSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@H]1CCCC[C@H]1C ZINC000623011070 346283686 /nfs/dbraw/zinc/28/36/86/346283686.db2.gz RTTBZHKTCUSMRE-OCCSQVGLSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@@H]1CCCC[C@H]1C ZINC000623011071 346283540 /nfs/dbraw/zinc/28/35/40/346283540.db2.gz RTTBZHKTCUSMRE-TZMCWYRMSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccccc1N(C)C(=O)CC1CC(C)(C)C1 ZINC000623011171 346301009 /nfs/dbraw/zinc/30/10/09/346301009.db2.gz AOIPENVESZCLDK-UHFFFAOYSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000623011183 346300786 /nfs/dbraw/zinc/30/07/86/346300786.db2.gz BNBUDJFONNUXBL-BBRMVZONSA-N 0 0 245.366 3.640 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000623011184 346301093 /nfs/dbraw/zinc/30/10/93/346301093.db2.gz BNBUDJFONNUXBL-CJNGLKHVSA-N 0 0 245.366 3.640 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000623011185 346300751 /nfs/dbraw/zinc/30/07/51/346300751.db2.gz BNBUDJFONNUXBL-CZUORRHYSA-N 0 0 245.366 3.640 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000623011186 346300953 /nfs/dbraw/zinc/30/09/53/346300953.db2.gz BNBUDJFONNUXBL-XJKSGUPXSA-N 0 0 245.366 3.640 20 0 BHADRN CCCC[C@@H](C)C(=O)N(C)c1ccccc1C ZINC000623011257 346302380 /nfs/dbraw/zinc/30/23/80/346302380.db2.gz DTMGMGFAHSSQIJ-CYBMUJFWSA-N 0 0 233.355 3.784 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)c1ccccc1C ZINC000623011258 346302301 /nfs/dbraw/zinc/30/23/01/346302301.db2.gz DTMGMGFAHSSQIJ-ZDUSSCGKSA-N 0 0 233.355 3.784 20 0 BHADRN CC[C@H]1CCC[C@@H]1C(=O)N(C)c1ccccc1C ZINC000623011269 346302347 /nfs/dbraw/zinc/30/23/47/346302347.db2.gz FATYCQKBXZWFHI-KBPBESRZSA-N 0 0 245.366 3.784 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N(C)c1ccccc1C ZINC000623011270 346302525 /nfs/dbraw/zinc/30/25/25/346302525.db2.gz FATYCQKBXZWFHI-KGLIPLIRSA-N 0 0 245.366 3.784 20 0 BHADRN CC[C@H]1CCC[C@H]1C(=O)N(C)c1ccccc1C ZINC000623011271 346302465 /nfs/dbraw/zinc/30/24/65/346302465.db2.gz FATYCQKBXZWFHI-UONOGXRCSA-N 0 0 245.366 3.784 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N(C)c1ccccc1C ZINC000623011272 346302287 /nfs/dbraw/zinc/30/22/87/346302287.db2.gz FATYCQKBXZWFHI-ZIAGYGMSSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@H]1CCCC1(C)C ZINC000623011295 346302127 /nfs/dbraw/zinc/30/21/27/346302127.db2.gz GDRVPDZIRVHWLU-CYBMUJFWSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccccc1N(C)C(=O)[C@@H]1CCCC1(C)C ZINC000623011296 346302429 /nfs/dbraw/zinc/30/24/29/346302429.db2.gz GDRVPDZIRVHWLU-ZDUSSCGKSA-N 0 0 245.366 3.784 20 0 BHADRN CC[C@@H](C)CCC(=O)N(C)c1ccccc1C ZINC000623011338 346301046 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/nfs/dbraw/zinc/80/84/84/356808484.db2.gz YYFPFINVNRVGOC-UHFFFAOYSA-N 0 0 243.350 3.723 20 0 BHADRN CCCCNC(=O)CC(C1CCC1)C1CCC1 ZINC000623363223 356813551 /nfs/dbraw/zinc/81/35/51/356813551.db2.gz HUWDWVGNYVLVGH-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(C)C[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623371737 356881085 /nfs/dbraw/zinc/88/10/85/356881085.db2.gz PRFRKCXRBIBTSU-MRVPVSSYSA-N 0 0 249.301 3.655 20 0 BHADRN CC1(C)C[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623371738 356880851 /nfs/dbraw/zinc/88/08/51/356880851.db2.gz PRFRKCXRBIBTSU-QMMMGPOBSA-N 0 0 249.301 3.655 20 0 BHADRN CCCCc1ccc(NC(=O)C23CC(C2)C3)cc1 ZINC000623371923 356879377 /nfs/dbraw/zinc/87/93/77/356879377.db2.gz ZJGFNTSKVWKMCJ-UHFFFAOYSA-N 0 0 243.350 3.768 20 0 BHADRN CC(C)c1ccc(NC(=O)C23CC(C2)C3)cc1 ZINC000623372155 356880781 /nfs/dbraw/zinc/88/07/81/356880781.db2.gz HJEBUADGIKSXRO-UHFFFAOYSA-N 0 0 229.323 3.549 20 0 BHADRN O=C(CC(C1CCC1)C1CCC1)NC1CCCC1 ZINC000623382114 356905100 /nfs/dbraw/zinc/90/51/00/356905100.db2.gz YLIGKEXFELEUAS-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN CCC(CC)NC(=O)CC1CCC(F)(F)CC1 ZINC000623383079 387292668 /nfs/dbraw/zinc/29/26/68/387292668.db2.gz BXTSKLFFUOUETO-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)c1cccc(NC(=O)C23CC(C2)C3)c1 ZINC000623476075 360425650 /nfs/dbraw/zinc/42/56/50/360425650.db2.gz NEXYFCAQZOCELV-UHFFFAOYSA-N 0 0 229.323 3.549 20 0 BHADRN Cc1cc(CNc2ccc(C3CC3)cc2)ccn1 ZINC000623481545 360448276 /nfs/dbraw/zinc/44/82/76/360448276.db2.gz JVEOBMKVUPIBGO-UHFFFAOYSA-N 0 0 238.334 3.880 20 0 BHADRN C[C@@H](NC(=O)CC(C1CCC1)C1CCC1)C1CC1 ZINC000623510718 362936563 /nfs/dbraw/zinc/93/65/63/362936563.db2.gz IFFMLLGUWICBMY-LLVKDONJSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](NC(=O)CC(C1CCC1)C1CCC1)C1CC1 ZINC000623510719 362936775 /nfs/dbraw/zinc/93/67/75/362936775.db2.gz IFFMLLGUWICBMY-NSHDSACASA-N 0 0 249.398 3.508 20 0 BHADRN CCc1cc(NCc2ccnc(C)c2)ccc1F ZINC000623521150 362942211 /nfs/dbraw/zinc/94/22/11/362942211.db2.gz LQBIZGCQCFXAFH-UHFFFAOYSA-N 0 0 244.313 3.704 20 0 BHADRN O=C(Nc1cccc2ccccc21)C12CC(C1)C2 ZINC000623572242 363002337 /nfs/dbraw/zinc/00/23/37/363002337.db2.gz VXNIOXIOHZXWOV-UHFFFAOYSA-N 0 0 237.302 3.578 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2n[nH]cc2C)c1 ZINC000623604539 363043840 /nfs/dbraw/zinc/04/38/40/363043840.db2.gz BHZPJZMFWBQHDT-LLVKDONJSA-N 0 0 243.354 3.844 20 0 BHADRN CC[C@H](C)c1cccc(NCc2n[nH]cc2C)c1 ZINC000623604540 363043884 /nfs/dbraw/zinc/04/38/84/363043884.db2.gz BHZPJZMFWBQHDT-NSHDSACASA-N 0 0 243.354 3.844 20 0 BHADRN CC[C@H](C)c1cccc(N[C@@H]2CO[C@@H](C)C2)c1 ZINC000623604594 363043461 /nfs/dbraw/zinc/04/34/61/363043461.db2.gz DTFKYYBZWGZKEL-HUBLWGQQSA-N 0 0 233.355 3.789 20 0 BHADRN CC[C@H](C)c1cccc(N[C@H]2CO[C@@H](C)C2)c1 ZINC000623604595 363043814 /nfs/dbraw/zinc/04/38/14/363043814.db2.gz DTFKYYBZWGZKEL-SLEUVZQESA-N 0 0 233.355 3.789 20 0 BHADRN CC[C@H](C)c1cccc(N[C@H]2CO[C@H](C)C2)c1 ZINC000623604596 363043855 /nfs/dbraw/zinc/04/38/55/363043855.db2.gz DTFKYYBZWGZKEL-YWPYICTPSA-N 0 0 233.355 3.789 20 0 BHADRN CC[C@H](C)c1cccc(N[C@@H]2CO[C@H](C)C2)c1 ZINC000623604597 363043170 /nfs/dbraw/zinc/04/31/70/363043170.db2.gz DTFKYYBZWGZKEL-ZOWXZIJZSA-N 0 0 233.355 3.789 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2nc(C)c[nH]2)c1 ZINC000623604650 363043287 /nfs/dbraw/zinc/04/32/87/363043287.db2.gz GOKCYRXHQKGWAN-LLVKDONJSA-N 0 0 243.354 3.844 20 0 BHADRN CC[C@H](C)c1cccc(NCc2nc(C)c[nH]2)c1 ZINC000623604651 363043641 /nfs/dbraw/zinc/04/36/41/363043641.db2.gz GOKCYRXHQKGWAN-NSHDSACASA-N 0 0 243.354 3.844 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2cn[nH]c2)c1 ZINC000623604760 363043734 /nfs/dbraw/zinc/04/37/34/363043734.db2.gz KYNHBHBQCNAOAG-LLVKDONJSA-N 0 0 229.327 3.535 20 0 BHADRN CC[C@H](C)c1cccc(NCc2cn[nH]c2)c1 ZINC000623604761 363043413 /nfs/dbraw/zinc/04/34/13/363043413.db2.gz KYNHBHBQCNAOAG-NSHDSACASA-N 0 0 229.327 3.535 20 0 BHADRN CC[C@H](C)c1cccc(N[C@H]2CCO[C@H]2C)c1 ZINC000623604806 363043531 /nfs/dbraw/zinc/04/35/31/363043531.db2.gz MOFQKJWBUQQJHK-HUBLWGQQSA-N 0 0 233.355 3.789 20 0 BHADRN CC[C@H](C)c1cccc(N[C@@H]2CCO[C@H]2C)c1 ZINC000623604807 363043505 /nfs/dbraw/zinc/04/35/05/363043505.db2.gz MOFQKJWBUQQJHK-SLEUVZQESA-N 0 0 233.355 3.789 20 0 BHADRN CC[C@H](C)c1cccc(N[C@@H]2CCO[C@@H]2C)c1 ZINC000623604808 363043424 /nfs/dbraw/zinc/04/34/24/363043424.db2.gz MOFQKJWBUQQJHK-YWPYICTPSA-N 0 0 233.355 3.789 20 0 BHADRN CC[C@H](C)c1cccc(N[C@H]2CCO[C@@H]2C)c1 ZINC000623604809 363043128 /nfs/dbraw/zinc/04/31/28/363043128.db2.gz MOFQKJWBUQQJHK-ZOWXZIJZSA-N 0 0 233.355 3.789 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2cocn2)c1 ZINC000623605051 363043792 /nfs/dbraw/zinc/04/37/92/363043792.db2.gz UJMOPLPWQHTGLE-LLVKDONJSA-N 0 0 230.311 3.800 20 0 BHADRN CC[C@H](C)c1cccc(NCc2cocn2)c1 ZINC000623605052 363043877 /nfs/dbraw/zinc/04/38/77/363043877.db2.gz UJMOPLPWQHTGLE-NSHDSACASA-N 0 0 230.311 3.800 20 0 BHADRN CC[C@@H](C)c1cccc(N[C@@H](C)COC)c1 ZINC000623605112 363043384 /nfs/dbraw/zinc/04/33/84/363043384.db2.gz VWKIJAYDJSDCQH-NEPJUHHUSA-N 0 0 221.344 3.647 20 0 BHADRN CC[C@H](C)c1cccc(N[C@H](C)COC)c1 ZINC000623605113 363043351 /nfs/dbraw/zinc/04/33/51/363043351.db2.gz VWKIJAYDJSDCQH-NWDGAFQWSA-N 0 0 221.344 3.647 20 0 BHADRN CC[C@H](C)c1cccc(N[C@@H](C)COC)c1 ZINC000623605114 363043164 /nfs/dbraw/zinc/04/31/64/363043164.db2.gz VWKIJAYDJSDCQH-RYUDHWBXSA-N 0 0 221.344 3.647 20 0 BHADRN CC[C@@H](C)c1cccc(N[C@H](C)COC)c1 ZINC000623605115 363043694 /nfs/dbraw/zinc/04/36/94/363043694.db2.gz VWKIJAYDJSDCQH-VXGBXAGGSA-N 0 0 221.344 3.647 20 0 BHADRN CC[C@@H](C)c1cccc(NCC2(C)COC2)c1 ZINC000623605186 363043204 /nfs/dbraw/zinc/04/32/04/363043204.db2.gz XOGIJCIXMWZZJS-GFCCVEGCSA-N 0 0 233.355 3.649 20 0 BHADRN CC[C@H](C)c1cccc(NCC2(C)COC2)c1 ZINC000623605187 363043269 /nfs/dbraw/zinc/04/32/69/363043269.db2.gz XOGIJCIXMWZZJS-LBPRGKRZSA-N 0 0 233.355 3.649 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2cnn(C)c2)c1 ZINC000623605320 363044482 /nfs/dbraw/zinc/04/44/82/363044482.db2.gz BVMFMJSVWUEGHG-GFCCVEGCSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@H](C)c1cccc(NCc2cnn(C)c2)c1 ZINC000623605321 363044294 /nfs/dbraw/zinc/04/42/94/363044294.db2.gz BVMFMJSVWUEGHG-LBPRGKRZSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2ccn(C)n2)c1 ZINC000623605406 363043403 /nfs/dbraw/zinc/04/34/03/363043403.db2.gz GOGQUYNRWCQULQ-GFCCVEGCSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@H](C)c1cccc(NCc2ccn(C)n2)c1 ZINC000623605407 363043434 /nfs/dbraw/zinc/04/34/34/363043434.db2.gz GOGQUYNRWCQULQ-LBPRGKRZSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2cc[nH]n2)c1 ZINC000623605476 363043180 /nfs/dbraw/zinc/04/31/80/363043180.db2.gz KKMUCRWWKNVZES-LLVKDONJSA-N 0 0 229.327 3.535 20 0 BHADRN CC[C@H](C)c1cccc(NCc2cc[nH]n2)c1 ZINC000623605477 363043248 /nfs/dbraw/zinc/04/32/48/363043248.db2.gz KKMUCRWWKNVZES-NSHDSACASA-N 0 0 229.327 3.535 20 0 BHADRN CC[C@@H](C)c1cccc(NCC2=CCCOC2)c1 ZINC000623605562 363043325 /nfs/dbraw/zinc/04/33/25/363043325.db2.gz PGLLNJHVLNKHLD-CYBMUJFWSA-N 0 0 245.366 3.959 20 0 BHADRN CC[C@H](C)c1cccc(NCC2=CCCOC2)c1 ZINC000623605563 363043212 /nfs/dbraw/zinc/04/32/12/363043212.db2.gz PGLLNJHVLNKHLD-ZDUSSCGKSA-N 0 0 245.366 3.959 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2c[nH]nc2C)c1 ZINC000623605636 363043926 /nfs/dbraw/zinc/04/39/26/363043926.db2.gz SFYINMPHVLAHMY-LLVKDONJSA-N 0 0 243.354 3.844 20 0 BHADRN CC[C@H](C)c1cccc(NCc2c[nH]nc2C)c1 ZINC000623605637 363043224 /nfs/dbraw/zinc/04/32/24/363043224.db2.gz SFYINMPHVLAHMY-NSHDSACASA-N 0 0 243.354 3.844 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2cncn2C)c1 ZINC000623605675 363043917 /nfs/dbraw/zinc/04/39/17/363043917.db2.gz UWKXHTNDKVDTOW-GFCCVEGCSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@H](C)c1cccc(NCc2cncn2C)c1 ZINC000623605676 363043768 /nfs/dbraw/zinc/04/37/68/363043768.db2.gz UWKXHTNDKVDTOW-LBPRGKRZSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2ncc[nH]2)c1 ZINC000623605713 363044777 /nfs/dbraw/zinc/04/47/77/363044777.db2.gz XDBLFWCEKKOOGE-LLVKDONJSA-N 0 0 229.327 3.535 20 0 BHADRN CC[C@H](C)c1cccc(NCc2ncc[nH]2)c1 ZINC000623605714 363044745 /nfs/dbraw/zinc/04/47/45/363044745.db2.gz XDBLFWCEKKOOGE-NSHDSACASA-N 0 0 229.327 3.535 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2nccn2C)c1 ZINC000623605728 363044234 /nfs/dbraw/zinc/04/42/34/363044234.db2.gz YMOMZFUXAPDKNH-GFCCVEGCSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@H](C)c1cccc(NCc2nccn2C)c1 ZINC000623605729 363044816 /nfs/dbraw/zinc/04/48/16/363044816.db2.gz YMOMZFUXAPDKNH-LBPRGKRZSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2ccnn2C)c1 ZINC000623605747 363044299 /nfs/dbraw/zinc/04/42/99/363044299.db2.gz ZCFAIINZNRXOLQ-GFCCVEGCSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@H](C)c1cccc(NCc2ccnn2C)c1 ZINC000623605748 363044331 /nfs/dbraw/zinc/04/43/31/363044331.db2.gz ZCFAIINZNRXOLQ-LBPRGKRZSA-N 0 0 243.354 3.546 20 0 BHADRN COc1cccc(NCc2sccc2C)c1C ZINC000623645502 368964756 /nfs/dbraw/zinc/96/47/56/368964756.db2.gz ARHZAQDFSURIIU-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1cccc(NCc2ccc(C)o2)c1C ZINC000623645530 368964627 /nfs/dbraw/zinc/96/46/27/368964627.db2.gz BSRAIUHGZKFCCX-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN COc1cccc(NCc2ccsc2C)c1C ZINC000623645578 368965858 /nfs/dbraw/zinc/96/58/58/368965858.db2.gz FDIGUZDAITYDNS-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1cccc(NCc2ccc(C)s2)c1C ZINC000623645608 368966347 /nfs/dbraw/zinc/96/63/47/368966347.db2.gz FVGHDDFIIIYVBC-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1cccc(NCc2csc(C)c2)c1C ZINC000623645622 368966320 /nfs/dbraw/zinc/96/63/20/368966320.db2.gz GPYCKOKWBYZUQU-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1cccc(NCc2ccoc2C)c1C ZINC000623645698 368965247 /nfs/dbraw/zinc/96/52/47/368965247.db2.gz KVGJSJLDMKTUCE-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN CCc1ccc(CNc2cccc(OC)c2C)o1 ZINC000623645719 368966194 /nfs/dbraw/zinc/96/61/94/368966194.db2.gz LMYURXDMKXCGJF-UHFFFAOYSA-N 0 0 245.322 3.771 20 0 BHADRN COc1cccc(NCc2occc2C)c1C ZINC000623645948 368966188 /nfs/dbraw/zinc/96/61/88/368966188.db2.gz VQWPODNCBZWVAW-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN CC(C)c1cc(Cl)ccc1NCc1cn[nH]c1 ZINC000623677305 369367536 /nfs/dbraw/zinc/36/75/36/369367536.db2.gz WLADHFRWDSVJPS-UHFFFAOYSA-N 0 0 249.745 3.799 20 0 BHADRN CCC(F)(F)CNCc1ccsc1Cl ZINC000623678890 388614644 /nfs/dbraw/zinc/61/46/44/388614644.db2.gz ABPDIXVCBYWDON-UHFFFAOYSA-N 0 0 239.718 3.536 20 0 BHADRN CCC(F)(F)CNCc1ccc(C(F)F)cc1 ZINC000623679172 369378996 /nfs/dbraw/zinc/37/89/96/369378996.db2.gz KXKVLHWRJWXRSP-UHFFFAOYSA-N 0 0 249.251 3.759 20 0 BHADRN CCC(F)(F)CNCc1sccc1Cl ZINC000623679284 369378793 /nfs/dbraw/zinc/37/87/93/369378793.db2.gz QAKGUUDBQYPSNH-UHFFFAOYSA-N 0 0 239.718 3.536 20 0 BHADRN CCC(F)(F)CNCc1ccc2occc2c1 ZINC000623679363 369378403 /nfs/dbraw/zinc/37/84/03/369378403.db2.gz SSIVPHHKCCFNPE-UHFFFAOYSA-N 0 0 239.265 3.568 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1ccccc1F ZINC000623679463 369379928 /nfs/dbraw/zinc/37/99/28/369379928.db2.gz YQYIDVMQVZSQTL-SECBINFHSA-N 0 0 231.261 3.522 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1ccccc1F ZINC000623679464 369380321 /nfs/dbraw/zinc/38/03/21/369380321.db2.gz YQYIDVMQVZSQTL-VIFPVBQESA-N 0 0 231.261 3.522 20 0 BHADRN CCC(F)(F)CN[C@H](C)Cc1ccccc1C ZINC000623679469 369379996 /nfs/dbraw/zinc/37/99/96/369379996.db2.gz ZAXUBJNDRDEMRM-GFCCVEGCSA-N 0 0 241.325 3.561 20 0 BHADRN CCC(F)(F)CN[C@@H](C)Cc1ccccc1C ZINC000623679470 369380310 /nfs/dbraw/zinc/38/03/10/369380310.db2.gz ZAXUBJNDRDEMRM-LBPRGKRZSA-N 0 0 241.325 3.561 20 0 BHADRN CCC(F)(F)CNCc1cscc1Cl ZINC000623679775 398290386 /nfs/dbraw/zinc/29/03/86/398290386.db2.gz JHAAYSXMPWKWLE-UHFFFAOYSA-N 0 0 239.718 3.536 20 0 BHADRN CCC(F)(F)CNC[C@@H](C)c1ccc(F)cc1 ZINC000623679829 369381855 /nfs/dbraw/zinc/38/18/55/369381855.db2.gz LIXRXPYGFLEGJK-SNVBAGLBSA-N 0 0 245.288 3.564 20 0 BHADRN CCC(F)(F)CNCc1cc2ccccc2o1 ZINC000623680207 369387569 /nfs/dbraw/zinc/38/75/69/369387569.db2.gz AZGDSJYWBXEJJE-UHFFFAOYSA-N 0 0 239.265 3.568 20 0 BHADRN CCC(F)(F)CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000623680309 369388954 /nfs/dbraw/zinc/38/89/54/369388954.db2.gz HBRRLFFRPYPVLW-GXSJLCMTSA-N 0 0 243.297 3.538 20 0 BHADRN CCC(F)(F)CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000623680310 369389045 /nfs/dbraw/zinc/38/90/45/369389045.db2.gz HBRRLFFRPYPVLW-KOLCDFICSA-N 0 0 243.297 3.538 20 0 BHADRN CCC(F)(F)CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000623680311 369389024 /nfs/dbraw/zinc/38/90/24/369389024.db2.gz HBRRLFFRPYPVLW-MWLCHTKSSA-N 0 0 243.297 3.538 20 0 BHADRN CCC(F)(F)CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000623680312 369389592 /nfs/dbraw/zinc/38/95/92/369389592.db2.gz HBRRLFFRPYPVLW-ONGXEEELSA-N 0 0 243.297 3.538 20 0 BHADRN CCC(F)(F)CNCc1ccc(Cl)s1 ZINC000623680335 369389317 /nfs/dbraw/zinc/38/93/17/369389317.db2.gz IMDASZKRFWQZBG-UHFFFAOYSA-N 0 0 239.718 3.536 20 0 BHADRN CCC(F)(F)CNCc1ccc(SC)cc1 ZINC000623680740 369390347 /nfs/dbraw/zinc/39/03/47/369390347.db2.gz XPTPPFVXTHWCAU-UHFFFAOYSA-N 0 0 245.338 3.543 20 0 BHADRN CCC[C@H](C)NC(=O)C1(C)CCC(F)(F)CC1 ZINC000623685096 369403957 /nfs/dbraw/zinc/40/39/57/369403957.db2.gz DTKRYKVVOHYRNG-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@H](C)NC(=O)C1(C)CCC(F)(F)CC1 ZINC000623685097 369403837 /nfs/dbraw/zinc/40/38/37/369403837.db2.gz DTKRYKVVOHYRNG-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](C)NC(=O)CC1CCC(F)(F)CC1 ZINC000623685282 369403703 /nfs/dbraw/zinc/40/37/03/369403703.db2.gz JVVHPHRAWBLNKA-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@H](C)NC(=O)CC1CCC(F)(F)CC1 ZINC000623685283 369403929 /nfs/dbraw/zinc/40/39/29/369403929.db2.gz JVVHPHRAWBLNKA-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)[C@H]1CCCC12CC2 ZINC000623685819 369404891 /nfs/dbraw/zinc/40/48/91/369404891.db2.gz WKELIEATIOLOOD-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCCC12CC2 ZINC000623685820 369404921 /nfs/dbraw/zinc/40/49/21/369404921.db2.gz WKELIEATIOLOOD-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@H]1CCCC12CC2 ZINC000623685821 369404692 /nfs/dbraw/zinc/40/46/92/369404692.db2.gz WKELIEATIOLOOD-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@@H]1CCCC12CC2 ZINC000623685822 369405117 /nfs/dbraw/zinc/40/51/17/369405117.db2.gz WKELIEATIOLOOD-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)NC(=O)CC(C1CCC1)C1CCC1 ZINC000623720454 347403918 /nfs/dbraw/zinc/40/39/18/347403918.db2.gz JHVUAMKMIBVRMU-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)c1ccccc1NC(=O)C12CC(C1)C2 ZINC000623721258 349469138 /nfs/dbraw/zinc/46/91/38/349469138.db2.gz RATVVWIBYFPNSD-UHFFFAOYSA-N 0 0 229.323 3.549 20 0 BHADRN CCC(C)(C)NC(=O)CC1CCC(F)(F)CC1 ZINC000623721747 371068228 /nfs/dbraw/zinc/06/82/28/371068228.db2.gz OKPFMFPLUBEAPI-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN Cc1cocc1C(=O)N[C@H](C)CCCC(C)C ZINC000623727638 343641435 /nfs/dbraw/zinc/64/14/35/343641435.db2.gz IBICYFPNXVZOFL-GFCCVEGCSA-N 0 0 237.343 3.533 20 0 BHADRN Cc1cocc1C(=O)N[C@@H](C)CCCC(C)C ZINC000623727639 343641223 /nfs/dbraw/zinc/64/12/23/343641223.db2.gz IBICYFPNXVZOFL-LBPRGKRZSA-N 0 0 237.343 3.533 20 0 BHADRN CCN(C(=O)CC(C1CCC1)C1CCC1)C1CC1 ZINC000623776599 363536834 /nfs/dbraw/zinc/53/68/34/363536834.db2.gz QHQDJBVCZAFYHP-UHFFFAOYSA-N 0 0 249.398 3.604 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)c1cocc1C ZINC000623798918 363490700 /nfs/dbraw/zinc/49/07/00/363490700.db2.gz JADKAOKOWFKCKX-GFCCVEGCSA-N 0 0 237.343 3.534 20 0 BHADRN CCCC[C@H](CC)CNC(=O)c1cocc1C ZINC000623798919 363490777 /nfs/dbraw/zinc/49/07/77/363490777.db2.gz JADKAOKOWFKCKX-LBPRGKRZSA-N 0 0 237.343 3.534 20 0 BHADRN CCCN(C)c1ccccc1NCc1ccco1 ZINC000623799555 371099457 /nfs/dbraw/zinc/09/94/57/371099457.db2.gz CHKMKZSRSLMUMW-UHFFFAOYSA-N 0 0 244.338 3.738 20 0 BHADRN CCC(C)(C)Nc1nc2cccc(F)c2o1 ZINC000623812789 371106195 /nfs/dbraw/zinc/10/61/95/371106195.db2.gz MWQFDUABLTYYQO-UHFFFAOYSA-N 0 0 222.263 3.567 20 0 BHADRN CC(C)CCN(C(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC000623820142 347359039 /nfs/dbraw/zinc/35/90/39/347359039.db2.gz LOJFYQCIPTUOMT-AWEZNQCLSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)CCN(C(=O)[C@H]1CCCC12CC2)C1CC1 ZINC000623820143 347358167 /nfs/dbraw/zinc/35/81/67/347358167.db2.gz LOJFYQCIPTUOMT-CQSZACIVSA-N 0 0 249.398 3.604 20 0 BHADRN Fc1cccc2nc(NC(C3CC3)C3CC3)oc21 ZINC000623830549 371115039 /nfs/dbraw/zinc/11/50/39/371115039.db2.gz QOALDKIIAIJXJA-UHFFFAOYSA-N 0 0 246.285 3.567 20 0 BHADRN CCCCCN(C(=O)N[C@H](C)CCC)C(C)C ZINC000623844536 371123778 /nfs/dbraw/zinc/12/37/78/371123778.db2.gz BLMBXCIVTCCKCQ-CYBMUJFWSA-N 0 0 242.407 3.785 20 0 BHADRN CCCCCN(C(=O)N[C@@H](C)CCC)C(C)C ZINC000623844537 371123595 /nfs/dbraw/zinc/12/35/95/371123595.db2.gz BLMBXCIVTCCKCQ-ZDUSSCGKSA-N 0 0 242.407 3.785 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)C12CC(C1)C2 ZINC000623850911 371127358 /nfs/dbraw/zinc/12/73/58/371127358.db2.gz VLRWETROGIAQMS-BTJONVMOSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C12CC(C1)C2 ZINC000623850912 371127107 /nfs/dbraw/zinc/12/71/07/371127107.db2.gz VLRWETROGIAQMS-BWAOXVRWSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C12CC(C1)C2 ZINC000623850913 371127383 /nfs/dbraw/zinc/12/73/83/371127383.db2.gz VLRWETROGIAQMS-LGESCRJUSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)C12CC(C1)C2 ZINC000623850914 371127245 /nfs/dbraw/zinc/12/72/45/371127245.db2.gz VLRWETROGIAQMS-WULFKBJJSA-N 0 0 249.398 3.508 20 0 BHADRN CCCCN(C(=O)C[C@@H](C)c1ccco1)C1CC1 ZINC000623872994 371135398 /nfs/dbraw/zinc/13/53/98/371135398.db2.gz UWLALCGNOUNVPH-GFCCVEGCSA-N 0 0 249.354 3.564 20 0 BHADRN CCCCN(C(=O)C[C@H](C)c1ccco1)C1CC1 ZINC000623872995 371136306 /nfs/dbraw/zinc/13/63/06/371136306.db2.gz UWLALCGNOUNVPH-LBPRGKRZSA-N 0 0 249.354 3.564 20 0 BHADRN CC(C)[C@H]1CCCN1c1nc2cccc(F)c2o1 ZINC000623893651 371143998 /nfs/dbraw/zinc/14/39/98/371143998.db2.gz YCMBNOHOJCQLIB-GFCCVEGCSA-N 0 0 248.301 3.592 20 0 BHADRN CC(C)[C@@H]1CCCN1c1nc2cccc(F)c2o1 ZINC000623893652 371143713 /nfs/dbraw/zinc/14/37/13/371143713.db2.gz YCMBNOHOJCQLIB-LBPRGKRZSA-N 0 0 248.301 3.592 20 0 BHADRN CCc1cnccc1[C@H](C)[C@H](C)[C@H]1CCCCO1 ZINC000623907897 371149376 /nfs/dbraw/zinc/14/93/76/371149376.db2.gz IFQLVXMIIAGXMM-DVOMOZLQSA-N 0 0 247.382 3.953 20 0 BHADRN CCc1cnccc1[C@H](C)[C@@H](C)[C@@H]1CCCCO1 ZINC000623907898 371149900 /nfs/dbraw/zinc/14/99/00/371149900.db2.gz IFQLVXMIIAGXMM-IOASZLSFSA-N 0 0 247.382 3.953 20 0 BHADRN CCc1cnccc1[C@H](C)[C@H](C)[C@@H]1CCCCO1 ZINC000623907899 371149672 /nfs/dbraw/zinc/14/96/72/371149672.db2.gz IFQLVXMIIAGXMM-WWGRRREGSA-N 0 0 247.382 3.953 20 0 BHADRN CCc1cnccc1[C@H](C)[C@@H](C)[C@H]1CCCCO1 ZINC000623907900 371149481 /nfs/dbraw/zinc/14/94/81/371149481.db2.gz IFQLVXMIIAGXMM-XJKCOSOUSA-N 0 0 247.382 3.953 20 0 BHADRN CCC[C@@H](CC)[NH2+][C@@H]1CCCc2scnc21 ZINC000623910986 371151452 /nfs/dbraw/zinc/15/14/52/371151452.db2.gz JQRDVRUAOJWFBR-GHMZBOCLSA-N 0 0 238.400 3.689 20 0 BHADRN CCC[C@@H](CC)[NH2+][C@H]1CCCc2scnc21 ZINC000623910987 371151581 /nfs/dbraw/zinc/15/15/81/371151581.db2.gz JQRDVRUAOJWFBR-MNOVXSKESA-N 0 0 238.400 3.689 20 0 BHADRN CCC[C@H](CC)[NH2+][C@H]1CCCc2scnc21 ZINC000623910988 371150976 /nfs/dbraw/zinc/15/09/76/371150976.db2.gz JQRDVRUAOJWFBR-QWRGUYRKSA-N 0 0 238.400 3.689 20 0 BHADRN CCC[C@H](CC)[NH2+][C@@H]1CCCc2scnc21 ZINC000623910989 371151210 /nfs/dbraw/zinc/15/12/10/371151210.db2.gz JQRDVRUAOJWFBR-WDEREUQCSA-N 0 0 238.400 3.689 20 0 BHADRN Cc1csc([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)n1 ZINC000623912570 371151799 /nfs/dbraw/zinc/15/17/99/371151799.db2.gz NAOSHNCYYNYWQZ-DLOVCJGASA-N 0 0 238.400 3.681 20 0 BHADRN Cc1csc([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)n1 ZINC000623912571 371151115 /nfs/dbraw/zinc/15/11/15/371151115.db2.gz NAOSHNCYYNYWQZ-YUSALJHKSA-N 0 0 238.400 3.681 20 0 BHADRN Cc1csc([C@@H](C)Nc2ccc(F)cc2)n1 ZINC000623929629 371159468 /nfs/dbraw/zinc/15/94/68/371159468.db2.gz LVLYKVFREVRHPH-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1csc([C@H](C)Nc2ccc(F)cc2)n1 ZINC000623929630 371159570 /nfs/dbraw/zinc/15/95/70/371159570.db2.gz LVLYKVFREVRHPH-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(N[C@@H]2CCCc3scnc32)cc1 ZINC000623929633 371159197 /nfs/dbraw/zinc/15/91/97/371159197.db2.gz LYEROOZYHZVWSY-GFCCVEGCSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1ccc(N[C@H]2CCCc3scnc32)cc1 ZINC000623929634 371159725 /nfs/dbraw/zinc/15/97/25/371159725.db2.gz LYEROOZYHZVWSY-LBPRGKRZSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1csc([C@@H](C)Nc2cccc(F)c2)n1 ZINC000623929669 397948787 /nfs/dbraw/zinc/94/87/87/397948787.db2.gz NJARQZNGUUKSTG-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1csc([C@H](C)Nc2cccc(F)c2)n1 ZINC000623929670 397948558 /nfs/dbraw/zinc/94/85/58/397948558.db2.gz NJARQZNGUUKSTG-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cccc(N[C@@H]2CCCc3scnc32)c1 ZINC000623929678 371159629 /nfs/dbraw/zinc/15/96/29/371159629.db2.gz NNFAODQWDPXURQ-GFCCVEGCSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1cccc(N[C@H]2CCCc3scnc32)c1 ZINC000623929679 371159521 /nfs/dbraw/zinc/15/95/21/371159521.db2.gz NNFAODQWDPXURQ-LBPRGKRZSA-N 0 0 244.363 3.941 20 0 BHADRN Fc1cccc(N[C@@H]2CCCc3scnc32)c1 ZINC000623929753 371158843 /nfs/dbraw/zinc/15/88/43/371158843.db2.gz SGUCUGUVLXMGSU-LLVKDONJSA-N 0 0 248.326 3.772 20 0 BHADRN Fc1cccc(N[C@H]2CCCc3scnc32)c1 ZINC000623929754 371159517 /nfs/dbraw/zinc/15/95/17/371159517.db2.gz SGUCUGUVLXMGSU-NSHDSACASA-N 0 0 248.326 3.772 20 0 BHADRN Fc1ccc(N[C@@H]2CCCc3scnc32)cc1 ZINC000623929891 356885598 /nfs/dbraw/zinc/88/55/98/356885598.db2.gz YZUWEPSBHOLUSO-LLVKDONJSA-N 0 0 248.326 3.772 20 0 BHADRN Fc1ccc(N[C@H]2CCCc3scnc32)cc1 ZINC000623929892 356885882 /nfs/dbraw/zinc/88/58/82/356885882.db2.gz YZUWEPSBHOLUSO-NSHDSACASA-N 0 0 248.326 3.772 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)[C@@H]1CCCCO1 ZINC000623933734 356934597 /nfs/dbraw/zinc/93/45/97/356934597.db2.gz PLLOREUCAHGLDW-GWCFXTLKSA-N 0 0 239.746 3.710 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)[C@H]1CCCCO1 ZINC000623933735 356934633 /nfs/dbraw/zinc/93/46/33/356934633.db2.gz PLLOREUCAHGLDW-GXFFZTMASA-N 0 0 239.746 3.710 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)[C@@H]1CCCCO1 ZINC000623933736 356934417 /nfs/dbraw/zinc/93/44/17/356934417.db2.gz PLLOREUCAHGLDW-MFKMUULPSA-N 0 0 239.746 3.710 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)[C@H]1CCCCO1 ZINC000623933737 356934811 /nfs/dbraw/zinc/93/48/11/356934811.db2.gz PLLOREUCAHGLDW-ZWNOBZJWSA-N 0 0 239.746 3.710 20 0 BHADRN CC(C)c1cccc([C@@H](C)NCc2cocn2)c1 ZINC000623937596 357406648 /nfs/dbraw/zinc/40/66/48/357406648.db2.gz MNLHUKJVNVNNBY-GFCCVEGCSA-N 0 0 244.338 3.649 20 0 BHADRN CC(C)c1cccc([C@H](C)NCc2cocn2)c1 ZINC000623937597 357406401 /nfs/dbraw/zinc/40/64/01/357406401.db2.gz MNLHUKJVNVNNBY-LBPRGKRZSA-N 0 0 244.338 3.649 20 0 BHADRN C[C@H](Nc1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC000623940958 371169042 /nfs/dbraw/zinc/16/90/42/371169042.db2.gz HCSGHPVUZANBHW-GWCFXTLKSA-N 0 0 239.746 3.710 20 0 BHADRN C[C@H](Nc1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC000623940959 371168981 /nfs/dbraw/zinc/16/89/81/371168981.db2.gz HCSGHPVUZANBHW-GXFFZTMASA-N 0 0 239.746 3.710 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CCCCO1 ZINC000623940960 371169199 /nfs/dbraw/zinc/16/91/99/371169199.db2.gz HCSGHPVUZANBHW-MFKMUULPSA-N 0 0 239.746 3.710 20 0 BHADRN C[C@@H](Nc1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC000623940961 371169338 /nfs/dbraw/zinc/16/93/38/371169338.db2.gz HCSGHPVUZANBHW-ZWNOBZJWSA-N 0 0 239.746 3.710 20 0 BHADRN CC[C@H]([NH2+]C1(COC)CC1)c1cc(C)ccc1C ZINC000623942528 371170038 /nfs/dbraw/zinc/17/00/38/371170038.db2.gz LVIYQHBEHLPKMK-HNNXBMFYSA-N 0 0 247.382 3.523 20 0 BHADRN CC[C@@H]([NH2+]C1(COC)CC1)c1cc(C)ccc1C ZINC000623942529 371170315 /nfs/dbraw/zinc/17/03/15/371170315.db2.gz LVIYQHBEHLPKMK-OAHLLOKOSA-N 0 0 247.382 3.523 20 0 BHADRN COCC1([NH2+][C@H](C)c2cccc(C(C)C)c2)CC1 ZINC000623942850 371170165 /nfs/dbraw/zinc/17/01/65/371170165.db2.gz VRSHUBFPNRJDDL-CYBMUJFWSA-N 0 0 247.382 3.640 20 0 BHADRN COCC1([NH2+][C@@H](C)c2cccc(C(C)C)c2)CC1 ZINC000623942851 371170591 /nfs/dbraw/zinc/17/05/91/371170591.db2.gz VRSHUBFPNRJDDL-ZDUSSCGKSA-N 0 0 247.382 3.640 20 0 BHADRN Cc1cc(N[C@H](C)[C@H]2CCCCO2)ccc1F ZINC000623943628 359415474 /nfs/dbraw/zinc/41/54/74/359415474.db2.gz DJVYQWBDTCZWCP-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(N[C@@H](C)[C@@H]2CCCCO2)ccc1F ZINC000623943629 359415868 /nfs/dbraw/zinc/41/58/68/359415868.db2.gz DJVYQWBDTCZWCP-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(N[C@H](C)[C@@H]2CCCCO2)ccc1F ZINC000623943630 359415846 /nfs/dbraw/zinc/41/58/46/359415846.db2.gz DJVYQWBDTCZWCP-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(N[C@@H](C)[C@H]2CCCCO2)ccc1F ZINC000623943631 359415489 /nfs/dbraw/zinc/41/54/89/359415489.db2.gz DJVYQWBDTCZWCP-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)[C@H]2CCCCO2)c1 ZINC000623945123 371172487 /nfs/dbraw/zinc/17/24/87/371172487.db2.gz BMXPRSISBIGLSO-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)[C@@H]2CCCCO2)c1 ZINC000623945124 371172832 /nfs/dbraw/zinc/17/28/32/371172832.db2.gz BMXPRSISBIGLSO-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)[C@@H]2CCCCO2)c1 ZINC000623945125 371172722 /nfs/dbraw/zinc/17/27/22/371172722.db2.gz BMXPRSISBIGLSO-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)[C@H]2CCCCO2)c1 ZINC000623945126 371172923 /nfs/dbraw/zinc/17/29/23/371172923.db2.gz BMXPRSISBIGLSO-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(N[C@H](C)[C@H]2CCCCO2)c(F)c1 ZINC000623945367 371171534 /nfs/dbraw/zinc/17/15/34/371171534.db2.gz KUGIDQPXFVNBRV-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@H]2CCCCO2)c(F)c1 ZINC000623945368 371171967 /nfs/dbraw/zinc/17/19/67/371171967.db2.gz KUGIDQPXFVNBRV-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@H]2CCCCO2)c(F)c1 ZINC000623945369 371171988 /nfs/dbraw/zinc/17/19/88/371171988.db2.gz KUGIDQPXFVNBRV-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@H]2CCCCO2)c(F)c1 ZINC000623945370 371171897 /nfs/dbraw/zinc/17/18/97/371171897.db2.gz KUGIDQPXFVNBRV-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN C[C@H](Nc1ccc(C2CC2)cc1)[C@H]1CCCCO1 ZINC000623945557 371173192 /nfs/dbraw/zinc/17/31/92/371173192.db2.gz TWGGUVVLJYZMCF-BLLLJJGKSA-N 0 0 245.366 3.934 20 0 BHADRN C[C@H](Nc1ccc(C2CC2)cc1)[C@@H]1CCCCO1 ZINC000623945558 371172593 /nfs/dbraw/zinc/17/25/93/371172593.db2.gz TWGGUVVLJYZMCF-LRDDRELGSA-N 0 0 245.366 3.934 20 0 BHADRN C[C@@H](Nc1ccc(C2CC2)cc1)[C@H]1CCCCO1 ZINC000623945559 371173292 /nfs/dbraw/zinc/17/32/92/371173292.db2.gz TWGGUVVLJYZMCF-MLGOLLRUSA-N 0 0 245.366 3.934 20 0 BHADRN C[C@@H](Nc1ccc(C2CC2)cc1)[C@@H]1CCCCO1 ZINC000623945560 371173163 /nfs/dbraw/zinc/17/31/63/371173163.db2.gz TWGGUVVLJYZMCF-WBMJQRKESA-N 0 0 245.366 3.934 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)[C@H]1CCCCO1 ZINC000623946125 359784587 /nfs/dbraw/zinc/78/45/87/359784587.db2.gz ODPLEUVRDVMECN-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)[C@@H]1CCCCO1 ZINC000623946126 359784163 /nfs/dbraw/zinc/78/41/63/359784163.db2.gz ODPLEUVRDVMECN-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)[C@@H]1CCCCO1 ZINC000623946127 359784245 /nfs/dbraw/zinc/78/42/45/359784245.db2.gz ODPLEUVRDVMECN-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)[C@H]1CCCCO1 ZINC000623946128 359784349 /nfs/dbraw/zinc/78/43/49/359784349.db2.gz ODPLEUVRDVMECN-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@H]2CCCCO2)c(C)c1 ZINC000623946208 371172493 /nfs/dbraw/zinc/17/24/93/371172493.db2.gz RUGBNXCPAMVARB-DZGCQCFKSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@H]2CCCCO2)c(C)c1 ZINC000623946209 371173416 /nfs/dbraw/zinc/17/34/16/371173416.db2.gz RUGBNXCPAMVARB-HIFRSBDPSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1ccc(N[C@H](C)[C@H]2CCCCO2)c(C)c1 ZINC000623946210 371173135 /nfs/dbraw/zinc/17/31/35/371173135.db2.gz RUGBNXCPAMVARB-UKRRQHHQSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@H]2CCCCO2)c(C)c1 ZINC000623946211 371173301 /nfs/dbraw/zinc/17/33/01/371173301.db2.gz RUGBNXCPAMVARB-ZFWWWQNUSA-N 0 0 233.355 3.673 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)[C@H]1CCCCO1 ZINC000623948353 371173925 /nfs/dbraw/zinc/17/39/25/371173925.db2.gz KGLBRVUXWWUCGA-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)[C@@H]1CCCCO1 ZINC000623948354 371174785 /nfs/dbraw/zinc/17/47/85/371174785.db2.gz KGLBRVUXWWUCGA-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)[C@@H]1CCCCO1 ZINC000623948355 371174000 /nfs/dbraw/zinc/17/40/00/371174000.db2.gz KGLBRVUXWWUCGA-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)[C@H]1CCCCO1 ZINC000623948356 371173881 /nfs/dbraw/zinc/17/38/81/371173881.db2.gz KGLBRVUXWWUCGA-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)[C@H]2CCCCO2)c1 ZINC000623949188 371174789 /nfs/dbraw/zinc/17/47/89/371174789.db2.gz JYGYGCUIGRTEAI-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)[C@@H]2CCCCO2)c1 ZINC000623949189 371174145 /nfs/dbraw/zinc/17/41/45/371174145.db2.gz JYGYGCUIGRTEAI-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)[C@@H]2CCCCO2)c1 ZINC000623949190 371174752 /nfs/dbraw/zinc/17/47/52/371174752.db2.gz JYGYGCUIGRTEAI-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)[C@H]2CCCCO2)c1 ZINC000623949191 371174549 /nfs/dbraw/zinc/17/45/49/371174549.db2.gz JYGYGCUIGRTEAI-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)[C@H]1CCCCO1 ZINC000623949213 371174127 /nfs/dbraw/zinc/17/41/27/371174127.db2.gz KSOOUCBDUVEOEO-BXUZGUMPSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)[C@@H]1CCCCO1 ZINC000623949214 371174279 /nfs/dbraw/zinc/17/42/79/371174279.db2.gz KSOOUCBDUVEOEO-FZMZJTMJSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)[C@@H]1CCCCO1 ZINC000623949215 371173155 /nfs/dbraw/zinc/17/31/55/371173155.db2.gz KSOOUCBDUVEOEO-RISCZKNCSA-N 0 0 237.318 3.504 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)[C@H]1CCCCO1 ZINC000623949216 371172764 /nfs/dbraw/zinc/17/27/64/371172764.db2.gz KSOOUCBDUVEOEO-SMDDNHRTSA-N 0 0 237.318 3.504 20 0 BHADRN C[C@@H](Nc1cccc2cc[nH]c21)[C@H]1CCCCO1 ZINC000623963320 371199785 /nfs/dbraw/zinc/19/97/85/371199785.db2.gz DQAUSNHCIQHRBD-BXUZGUMPSA-N 0 0 244.338 3.537 20 0 BHADRN C[C@H](Nc1cccc2cc[nH]c21)[C@@H]1CCCCO1 ZINC000623963321 371199794 /nfs/dbraw/zinc/19/97/94/371199794.db2.gz DQAUSNHCIQHRBD-FZMZJTMJSA-N 0 0 244.338 3.537 20 0 BHADRN C[C@@H](Nc1cccc2cc[nH]c21)[C@@H]1CCCCO1 ZINC000623963322 371199933 /nfs/dbraw/zinc/19/99/33/371199933.db2.gz DQAUSNHCIQHRBD-RISCZKNCSA-N 0 0 244.338 3.537 20 0 BHADRN C[C@H](Nc1cccc2cc[nH]c21)[C@H]1CCCCO1 ZINC000623963323 371200449 /nfs/dbraw/zinc/20/04/49/371200449.db2.gz DQAUSNHCIQHRBD-SMDDNHRTSA-N 0 0 244.338 3.537 20 0 BHADRN O=C(NCCC1CCCCC1)[C@@H]1CCCC12CC2 ZINC000623978560 371212945 /nfs/dbraw/zinc/21/29/45/371212945.db2.gz XVWOWUUJQFVLRB-AWEZNQCLSA-N 0 0 249.398 3.653 20 0 BHADRN O=C(NCCC1CCCCC1)[C@H]1CCCC12CC2 ZINC000623978561 371213202 /nfs/dbraw/zinc/21/32/02/371213202.db2.gz XVWOWUUJQFVLRB-CQSZACIVSA-N 0 0 249.398 3.653 20 0 BHADRN O=C(CC(C1CCC1)C1CCC1)NCC1CCC1 ZINC000624022700 371255105 /nfs/dbraw/zinc/25/51/05/371255105.db2.gz ZMJHCCOVMPCYAV-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN CC[C@H](C)n1c(SC)nnc1-c1ccccc1 ZINC000624055229 371281068 /nfs/dbraw/zinc/28/10/68/371281068.db2.gz SLHCESMXODXNMC-JTQLQIEISA-N 0 0 247.367 3.638 20 0 BHADRN CC[C@@H](C)n1c(SC)nnc1-c1ccccc1 ZINC000624055230 371281049 /nfs/dbraw/zinc/28/10/49/371281049.db2.gz SLHCESMXODXNMC-SNVBAGLBSA-N 0 0 247.367 3.638 20 0 BHADRN CCC[C@H](C)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000624061376 371285553 /nfs/dbraw/zinc/28/55/53/371285553.db2.gz JRACUAWCZMGRBP-AGIUHOORSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000624061377 371286033 /nfs/dbraw/zinc/28/60/33/371286033.db2.gz JRACUAWCZMGRBP-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000624061378 371286598 /nfs/dbraw/zinc/28/65/98/371286598.db2.gz JRACUAWCZMGRBP-FRRDWIJNSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000624061379 371286251 /nfs/dbraw/zinc/28/62/51/371286251.db2.gz JRACUAWCZMGRBP-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCN(C)C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000624073645 371292123 /nfs/dbraw/zinc/29/21/23/371292123.db2.gz RBAWLSXXYRRSNH-KBPBESRZSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)CCN(C)C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000624073646 371292828 /nfs/dbraw/zinc/29/28/28/371292828.db2.gz RBAWLSXXYRRSNH-KGLIPLIRSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)CCN(C)C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000624073647 371292721 /nfs/dbraw/zinc/29/27/21/371292721.db2.gz RBAWLSXXYRRSNH-UONOGXRCSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)CCN(C)C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000624073648 371292606 /nfs/dbraw/zinc/29/26/06/371292606.db2.gz RBAWLSXXYRRSNH-ZIAGYGMSSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCN(CCCC)C(=O)c1cocc1C ZINC000624079470 371295434 /nfs/dbraw/zinc/29/54/34/371295434.db2.gz JEIUXFCBGVXHFC-UHFFFAOYSA-N 0 0 237.343 3.630 20 0 BHADRN CC1CCC(C)(NC(=O)CCC(C)(F)F)CC1 ZINC000624110520 371315477 /nfs/dbraw/zinc/31/54/77/371315477.db2.gz DQWRKLQMBMMIHR-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1ccc(F)cc1 ZINC000624146731 371341186 /nfs/dbraw/zinc/34/11/86/371341186.db2.gz ILFLVZQLNAXFIF-SECBINFHSA-N 0 0 231.261 3.522 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1ccc(F)cc1 ZINC000624146732 371341623 /nfs/dbraw/zinc/34/16/23/371341623.db2.gz ILFLVZQLNAXFIF-VIFPVBQESA-N 0 0 231.261 3.522 20 0 BHADRN CC[C@@H](NCC(F)(F)CC)c1ccccc1 ZINC000624146827 371341167 /nfs/dbraw/zinc/34/11/67/371341167.db2.gz LLNGSTYFDAWEML-GFCCVEGCSA-N 0 0 227.298 3.773 20 0 BHADRN CC[C@H](NCC(F)(F)CC)c1ccccc1 ZINC000624146828 371341485 /nfs/dbraw/zinc/34/14/85/371341485.db2.gz LLNGSTYFDAWEML-LBPRGKRZSA-N 0 0 227.298 3.773 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1ccc(C)cc1 ZINC000624146901 371341098 /nfs/dbraw/zinc/34/10/98/371341098.db2.gz NJZGDPYCQHDYRN-LLVKDONJSA-N 0 0 227.298 3.691 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1ccc(C)cc1 ZINC000624146902 371341955 /nfs/dbraw/zinc/34/19/55/371341955.db2.gz NJZGDPYCQHDYRN-NSHDSACASA-N 0 0 227.298 3.691 20 0 BHADRN CCC(F)(F)CN[C@H](C)CCc1ccccc1 ZINC000624147026 371341833 /nfs/dbraw/zinc/34/18/33/371341833.db2.gz QXCXFIAJFIICLH-GFCCVEGCSA-N 0 0 241.325 3.643 20 0 BHADRN CCC(F)(F)CN[C@@H](C)CCc1ccccc1 ZINC000624147027 371341341 /nfs/dbraw/zinc/34/13/41/371341341.db2.gz QXCXFIAJFIICLH-LBPRGKRZSA-N 0 0 241.325 3.643 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1cccc(F)c1 ZINC000624147160 371341287 /nfs/dbraw/zinc/34/12/87/371341287.db2.gz VQDYHMGCXGKPMV-SECBINFHSA-N 0 0 231.261 3.522 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1cccc(F)c1 ZINC000624147161 371341226 /nfs/dbraw/zinc/34/12/26/371341226.db2.gz VQDYHMGCXGKPMV-VIFPVBQESA-N 0 0 231.261 3.522 20 0 BHADRN CCC(F)(F)CN[C@@H](c1cccs1)C1CC1 ZINC000624147495 347255449 /nfs/dbraw/zinc/25/54/49/347255449.db2.gz BVOKNGQXPNXYMS-LLVKDONJSA-N 0 0 245.338 3.834 20 0 BHADRN CCC(F)(F)CN[C@H](c1cccs1)C1CC1 ZINC000624147496 347255420 /nfs/dbraw/zinc/25/54/20/347255420.db2.gz BVOKNGQXPNXYMS-NSHDSACASA-N 0 0 245.338 3.834 20 0 BHADRN CCc1ccc([C@@H](C)NCC(F)(F)CC)o1 ZINC000624147533 371341127 /nfs/dbraw/zinc/34/11/27/371341127.db2.gz CSGIVKCIOFLWSR-SECBINFHSA-N 0 0 231.286 3.538 20 0 BHADRN CCc1ccc([C@H](C)NCC(F)(F)CC)o1 ZINC000624147534 371341077 /nfs/dbraw/zinc/34/10/77/371341077.db2.gz CSGIVKCIOFLWSR-VIFPVBQESA-N 0 0 231.286 3.538 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000624147570 371341861 /nfs/dbraw/zinc/34/18/61/371341861.db2.gz FCDZVPPYLNPGTG-MRVPVSSYSA-N 0 0 249.251 3.661 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000624147571 371341463 /nfs/dbraw/zinc/34/14/63/371341463.db2.gz FCDZVPPYLNPGTG-QMMMGPOBSA-N 0 0 249.251 3.661 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1cccc(F)c1F ZINC000624147606 371341713 /nfs/dbraw/zinc/34/17/13/371341713.db2.gz GFYGBLPCDUZCGH-MRVPVSSYSA-N 0 0 249.251 3.661 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1cccc(F)c1F ZINC000624147607 371341929 /nfs/dbraw/zinc/34/19/29/371341929.db2.gz GFYGBLPCDUZCGH-QMMMGPOBSA-N 0 0 249.251 3.661 20 0 BHADRN CCC(F)(F)CN[C@H](c1ccccc1)C1CC1 ZINC000624147674 371342683 /nfs/dbraw/zinc/34/26/83/371342683.db2.gz HVESKEQWWQBUHW-CYBMUJFWSA-N 0 0 239.309 3.773 20 0 BHADRN CCC(F)(F)CN[C@@H](c1ccccc1)C1CC1 ZINC000624147675 371343071 /nfs/dbraw/zinc/34/30/71/371343071.db2.gz HVESKEQWWQBUHW-ZDUSSCGKSA-N 0 0 239.309 3.773 20 0 BHADRN CC[C@@H](NCC(F)(F)CC)c1cccs1 ZINC000624147682 347260678 /nfs/dbraw/zinc/26/06/78/347260678.db2.gz HYJRVFYGAGZOII-SECBINFHSA-N 0 0 233.327 3.834 20 0 BHADRN CC[C@H](NCC(F)(F)CC)c1cccs1 ZINC000624147683 347261437 /nfs/dbraw/zinc/26/14/37/347261437.db2.gz HYJRVFYGAGZOII-VIFPVBQESA-N 0 0 233.327 3.834 20 0 BHADRN CCC(F)(F)CNC1CC(c2ccccc2)C1 ZINC000624147691 371343328 /nfs/dbraw/zinc/34/33/28/371343328.db2.gz IGJDYQUPDXOUOU-UHFFFAOYSA-N 0 0 239.309 3.568 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1ccc(F)cc1F ZINC000624147774 371343018 /nfs/dbraw/zinc/34/30/18/371343018.db2.gz KKILCWQKEOKFDF-MRVPVSSYSA-N 0 0 249.251 3.661 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1ccc(F)cc1F ZINC000624147775 371343650 /nfs/dbraw/zinc/34/36/50/371343650.db2.gz KKILCWQKEOKFDF-QMMMGPOBSA-N 0 0 249.251 3.661 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1cc(C)oc1C ZINC000624147809 371343271 /nfs/dbraw/zinc/34/32/71/371343271.db2.gz LPZOQMNNPDKVMF-SECBINFHSA-N 0 0 231.286 3.592 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1cc(C)oc1C ZINC000624147810 371343417 /nfs/dbraw/zinc/34/34/17/371343417.db2.gz LPZOQMNNPDKVMF-VIFPVBQESA-N 0 0 231.286 3.592 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1cccc(C)c1 ZINC000624147896 371343636 /nfs/dbraw/zinc/34/36/36/371343636.db2.gz ODVLNXQIIBGQAY-LLVKDONJSA-N 0 0 227.298 3.691 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1cccc(C)c1 ZINC000624147897 371343133 /nfs/dbraw/zinc/34/31/33/371343133.db2.gz ODVLNXQIIBGQAY-NSHDSACASA-N 0 0 227.298 3.691 20 0 BHADRN CCC(F)(F)CN[C@H]1CCCc2sccc21 ZINC000624147913 347263707 /nfs/dbraw/zinc/26/37/07/347263707.db2.gz OTVORDQUJPGOGK-JTQLQIEISA-N 0 0 245.338 3.760 20 0 BHADRN CCC(F)(F)CN[C@@H]1CCCc2sccc21 ZINC000624147914 347263753 /nfs/dbraw/zinc/26/37/53/347263753.db2.gz OTVORDQUJPGOGK-SNVBAGLBSA-N 0 0 245.338 3.760 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1ccccc1C ZINC000624147992 371342651 /nfs/dbraw/zinc/34/26/51/371342651.db2.gz RHSPEHSLHGHWPW-LLVKDONJSA-N 0 0 227.298 3.691 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1ccccc1C ZINC000624147993 371343370 /nfs/dbraw/zinc/34/33/70/371343370.db2.gz RHSPEHSLHGHWPW-NSHDSACASA-N 0 0 227.298 3.691 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1ccc(C)s1 ZINC000624148131 371344541 /nfs/dbraw/zinc/34/45/41/371344541.db2.gz WFPOVIRFMPFCIJ-SECBINFHSA-N 0 0 233.327 3.752 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1ccc(C)s1 ZINC000624148132 371344223 /nfs/dbraw/zinc/34/42/23/371344223.db2.gz WFPOVIRFMPFCIJ-VIFPVBQESA-N 0 0 233.327 3.752 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1cc(F)ccc1F ZINC000624148151 371344497 /nfs/dbraw/zinc/34/44/97/371344497.db2.gz WTUWMRNFDJVJCA-MRVPVSSYSA-N 0 0 249.251 3.661 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1cc(F)ccc1F ZINC000624148152 371344092 /nfs/dbraw/zinc/34/40/92/371344092.db2.gz WTUWMRNFDJVJCA-QMMMGPOBSA-N 0 0 249.251 3.661 20 0 BHADRN CCC[C@@H](NCC(F)(F)CC)c1ccccn1 ZINC000624148199 371344477 /nfs/dbraw/zinc/34/44/77/371344477.db2.gz YCDZOYKFSYSCDB-LLVKDONJSA-N 0 0 242.313 3.558 20 0 BHADRN CCC[C@H](NCC(F)(F)CC)c1ccccn1 ZINC000624148200 371344986 /nfs/dbraw/zinc/34/49/86/371344986.db2.gz YCDZOYKFSYSCDB-NSHDSACASA-N 0 0 242.313 3.558 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1sccc1C ZINC000624148253 347265358 /nfs/dbraw/zinc/26/53/58/347265358.db2.gz ZGCDLSAUYPMVEL-SECBINFHSA-N 0 0 233.327 3.752 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1sccc1C ZINC000624148254 347265397 /nfs/dbraw/zinc/26/53/97/347265397.db2.gz ZGCDLSAUYPMVEL-VIFPVBQESA-N 0 0 233.327 3.752 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1cc(C)c(C)o1 ZINC000624148320 371344636 /nfs/dbraw/zinc/34/46/36/371344636.db2.gz APLMHHHJFKKGRG-SECBINFHSA-N 0 0 231.286 3.592 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000624148321 371344900 /nfs/dbraw/zinc/34/49/00/371344900.db2.gz APLMHHHJFKKGRG-VIFPVBQESA-N 0 0 231.286 3.592 20 0 BHADRN CCC(F)(F)CN[C@@H](C)CCc1ccsc1 ZINC000624148496 371344937 /nfs/dbraw/zinc/34/49/37/371344937.db2.gz GLZRILUVWRUWNP-JTQLQIEISA-N 0 0 247.354 3.704 20 0 BHADRN CCC(F)(F)CN[C@H](C)CCc1ccsc1 ZINC000624148497 371344667 /nfs/dbraw/zinc/34/46/67/371344667.db2.gz GLZRILUVWRUWNP-SNVBAGLBSA-N 0 0 247.354 3.704 20 0 BHADRN CC[C@H](NCC(F)(F)CC)c1ccsc1 ZINC000624148611 371344296 /nfs/dbraw/zinc/34/42/96/371344296.db2.gz JQYOALBFRDTUML-JTQLQIEISA-N 0 0 233.327 3.834 20 0 BHADRN CC[C@@H](NCC(F)(F)CC)c1ccsc1 ZINC000624148612 371344203 /nfs/dbraw/zinc/34/42/03/371344203.db2.gz JQYOALBFRDTUML-SNVBAGLBSA-N 0 0 233.327 3.834 20 0 BHADRN CCC(F)(F)CN[C@H](C)c1csc(C)c1 ZINC000624148916 371346264 /nfs/dbraw/zinc/34/62/64/371346264.db2.gz RFFKRRFZTOMQOP-SECBINFHSA-N 0 0 233.327 3.752 20 0 BHADRN CCC(F)(F)CN[C@@H](C)c1csc(C)c1 ZINC000624148917 371345441 /nfs/dbraw/zinc/34/54/41/371345441.db2.gz RFFKRRFZTOMQOP-VIFPVBQESA-N 0 0 233.327 3.752 20 0 BHADRN CCC[C@@H](NCC(F)(F)CC)c1cccnc1 ZINC000624149059 371346136 /nfs/dbraw/zinc/34/61/36/371346136.db2.gz VPVHZHHODPYGDB-GFCCVEGCSA-N 0 0 242.313 3.558 20 0 BHADRN CCC[C@H](NCC(F)(F)CC)c1cccnc1 ZINC000624149060 371346028 /nfs/dbraw/zinc/34/60/28/371346028.db2.gz VPVHZHHODPYGDB-LBPRGKRZSA-N 0 0 242.313 3.558 20 0 BHADRN CC1=C(C)CN(c2nc3cccc(F)c3o2)CC1 ZINC000624178930 371370384 /nfs/dbraw/zinc/37/03/84/371370384.db2.gz FKVWOSDWOIUKLV-UHFFFAOYSA-N 0 0 246.285 3.513 20 0 BHADRN CCC1(CC)CN(c2nc3cccc(F)c3o2)C1 ZINC000624245858 371432506 /nfs/dbraw/zinc/43/25/06/371432506.db2.gz TVXAFNNDFJVFDY-UHFFFAOYSA-N 0 0 248.301 3.593 20 0 BHADRN CC1(C2(Nc3nc4cccc(F)c4o3)CC2)CC1 ZINC000624260577 371448753 /nfs/dbraw/zinc/44/87/53/371448753.db2.gz SJDVNABVCANYIJ-UHFFFAOYSA-N 0 0 246.285 3.712 20 0 BHADRN COCc1ccc(NC2CCCCC2)cc1OC ZINC000624275041 371454190 /nfs/dbraw/zinc/45/41/90/371454190.db2.gz LNLVVFNCWFCZRM-UHFFFAOYSA-N 0 0 249.354 3.586 20 0 BHADRN c1ccc2c(c1)ccnc2N1C[C@@H]2CCCC[C@@H]21 ZINC000624376714 343742560 /nfs/dbraw/zinc/74/25/60/343742560.db2.gz ZEQLFAOEVWIRDE-ZFWWWQNUSA-N 0 0 238.334 3.614 20 0 BHADRN CC(C)c1noc(CC2CCC(F)(F)CC2)n1 ZINC000624421280 371505942 /nfs/dbraw/zinc/50/59/42/371505942.db2.gz ADXZZSJALPVYCS-UHFFFAOYSA-N 0 0 244.285 3.561 20 0 BHADRN Cc1cccc([C@@H]2C[C@H]2c2nc(C(C)C)no2)c1 ZINC000624421347 371506462 /nfs/dbraw/zinc/50/64/62/371506462.db2.gz GAXHZPJZFOHOIN-QWHCGFSZSA-N 0 0 242.322 3.773 20 0 BHADRN Cc1cc(C(F)F)oc1-c1nc(C(C)C)no1 ZINC000624421451 371506538 /nfs/dbraw/zinc/50/65/38/371506538.db2.gz PEDZFOMECYABKY-UHFFFAOYSA-N 0 0 242.225 3.699 20 0 BHADRN C(c1nc(C2CC2)no1)C(C1CCC1)C1CCC1 ZINC000624441367 343878252 /nfs/dbraw/zinc/87/82/52/343878252.db2.gz RHMWAIVRZJTWSN-UHFFFAOYSA-N 0 0 246.354 3.706 20 0 BHADRN Cc1cccc([C@@H]2C[C@H]2c2nc(C3CC3)no2)c1 ZINC000624441491 343878467 /nfs/dbraw/zinc/87/84/67/343878467.db2.gz ZCGQPLGFWHBVEC-QWHCGFSZSA-N 0 0 240.306 3.527 20 0 BHADRN FC(F)c1ccc(-c2nc(C3CCC3)no2)o1 ZINC000624465224 343895334 /nfs/dbraw/zinc/89/53/34/343895334.db2.gz IIHGDIYURNSVPB-UHFFFAOYSA-N 0 0 240.209 3.535 20 0 BHADRN FC(F)c1cc(-c2nc(C3CCC3)no2)co1 ZINC000624465617 343895400 /nfs/dbraw/zinc/89/54/00/343895400.db2.gz XJYNQLWJMDWCRX-UHFFFAOYSA-N 0 0 240.209 3.535 20 0 BHADRN c1cc([C@H]2C[C@@H]2c2nc(C3CCC3)no2)cs1 ZINC000624465620 343895261 /nfs/dbraw/zinc/89/52/61/343895261.db2.gz XSORIDSMMGMTKG-MNOVXSKESA-N 0 0 246.335 3.670 20 0 BHADRN CCCCCN(C(=O)c1cocc1C)C(C)C ZINC000624475247 343901561 /nfs/dbraw/zinc/90/15/61/343901561.db2.gz DATUNQDLXMKQHZ-UHFFFAOYSA-N 0 0 237.343 3.629 20 0 BHADRN CCc1cccc(CC)c1NC(=O)C12CC(C1)C2 ZINC000624482078 343905946 /nfs/dbraw/zinc/90/59/46/343905946.db2.gz XIYNUAPSNBEXJY-UHFFFAOYSA-N 0 0 243.350 3.550 20 0 BHADRN C1=CCC(CNc2nccc3sccc32)C1 ZINC000624490768 343910036 /nfs/dbraw/zinc/91/00/36/343910036.db2.gz SZABVGGDXFNNFY-UHFFFAOYSA-N 0 0 230.336 3.674 20 0 BHADRN CCO[C@@H](c1nc(C(CC)CC)no1)C(C)C ZINC000624513064 371524501 /nfs/dbraw/zinc/52/45/01/371524501.db2.gz GKRTVWKCPAHTPR-LLVKDONJSA-N 0 0 240.347 3.707 20 0 BHADRN CCO[C@H](c1nc(C(CC)CC)no1)C(C)C ZINC000624513065 371524386 /nfs/dbraw/zinc/52/43/86/371524386.db2.gz GKRTVWKCPAHTPR-NSHDSACASA-N 0 0 240.347 3.707 20 0 BHADRN CCCN(CC1CCCCC1)C(=O)C12CC(C1)C2 ZINC000624521961 371528463 /nfs/dbraw/zinc/52/84/63/371528463.db2.gz HKOTZKCDMRIFMU-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H](c1noc([C@H]2CCCC23CC3)n1)C1CC1 ZINC000624546714 371537811 /nfs/dbraw/zinc/53/78/11/371537811.db2.gz DRMRNUUFRBURPC-GXSJLCMTSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H](c1noc([C@@H]2CCCC23CC3)n1)C1CC1 ZINC000624546715 371538183 /nfs/dbraw/zinc/53/81/83/371538183.db2.gz DRMRNUUFRBURPC-KOLCDFICSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H](c1noc([C@H]2CCCC23CC3)n1)C1CC1 ZINC000624546716 371538519 /nfs/dbraw/zinc/53/85/19/371538519.db2.gz DRMRNUUFRBURPC-MWLCHTKSSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@H](c1noc([C@@H]2CCCC23CC3)n1)C1CC1 ZINC000624546717 371538501 /nfs/dbraw/zinc/53/85/01/371538501.db2.gz DRMRNUUFRBURPC-ONGXEEELSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@H](Cc1nc([C@H](C)C2CC2)no1)c1ccco1 ZINC000624546812 344005582 /nfs/dbraw/zinc/00/55/82/344005582.db2.gz ILIXLNNVCVABQT-NXEZZACHSA-N 0 0 246.310 3.522 20 0 BHADRN C[C@@H](Cc1nc([C@@H](C)C2CC2)no1)c1ccco1 ZINC000624546813 344005741 /nfs/dbraw/zinc/00/57/41/344005741.db2.gz ILIXLNNVCVABQT-UWVGGRQHSA-N 0 0 246.310 3.522 20 0 BHADRN C[C@@H](c1noc(C[C@H](C)c2ccco2)n1)C1CC1 ZINC000624546814 344005639 /nfs/dbraw/zinc/00/56/39/344005639.db2.gz ILIXLNNVCVABQT-VHSXEESVSA-N 0 0 246.310 3.522 20 0 BHADRN C[C@H](Cc1nc([C@@H](C)C2CC2)no1)c1ccco1 ZINC000624546815 344005681 /nfs/dbraw/zinc/00/56/81/344005681.db2.gz ILIXLNNVCVABQT-ZJUUUORDSA-N 0 0 246.310 3.522 20 0 BHADRN Cc1cocc1C(=O)N(C1CC1)C1CCCCC1 ZINC000624550458 344006509 /nfs/dbraw/zinc/00/65/09/344006509.db2.gz HWJQONVXULKMHB-UHFFFAOYSA-N 0 0 247.338 3.525 20 0 BHADRN CC(C)(C)c1noc(-c2ccc(C(F)F)o2)n1 ZINC000624556772 344008198 /nfs/dbraw/zinc/00/81/98/344008198.db2.gz QIEZOBHHSMCTDD-UHFFFAOYSA-N 0 0 242.225 3.565 20 0 BHADRN CC(C)(C)c1noc(-c2coc(C(F)F)c2)n1 ZINC000624556831 344008423 /nfs/dbraw/zinc/00/84/23/344008423.db2.gz 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20 0 BHADRN CCC[C@H](C)NC(=O)C[C@H](C)C1CCCCC1 ZINC000624608354 371549276 /nfs/dbraw/zinc/54/92/76/371549276.db2.gz BQJIFRNGELBISP-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)c1cccc(N(C)C(=O)C23CC(C2)C3)c1 ZINC000624614387 344102760 /nfs/dbraw/zinc/10/27/60/344102760.db2.gz QRUOGLZEPGJVQK-UHFFFAOYSA-N 0 0 243.350 3.573 20 0 BHADRN CC(C)c1ccoc1-c1noc(C23CC(C2)C3)n1 ZINC000624633461 342804679 /nfs/dbraw/zinc/80/46/79/342804679.db2.gz ZUCOYJOXROWNHN-UHFFFAOYSA-N 0 0 244.294 3.505 20 0 BHADRN Cc1cc(C)nc(S[C@@H](C)c2ccccc2)n1 ZINC000624643505 342807447 /nfs/dbraw/zinc/80/74/47/342807447.db2.gz LGPHYGBWEYCRDA-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1nsc(S[C@@H](C)c2ccccc2)n1 ZINC000624643587 342807572 /nfs/dbraw/zinc/80/75/72/342807572.db2.gz PUBSBWVGVXBHBU-QMMMGPOBSA-N 0 0 236.365 3.700 20 0 BHADRN CCc1cc(S[C@@H](C)c2ccccc2)ncn1 ZINC000624643710 342807494 /nfs/dbraw/zinc/80/74/94/342807494.db2.gz WJRAOSDWCYUTAF-NSHDSACASA-N 0 0 244.363 3.892 20 0 BHADRN 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CCSc1ccccc1-c1noc(C2CC2)n1 ZINC000624695003 342820969 /nfs/dbraw/zinc/82/09/69/342820969.db2.gz ZBDYJEUNPXDGQE-UHFFFAOYSA-N 0 0 246.335 3.726 20 0 BHADRN CCC[C@H](C)C(=O)N[C@H](CC)C1CCCCC1 ZINC000624701038 342819976 /nfs/dbraw/zinc/81/99/76/342819976.db2.gz HJLJGNBYSASGCT-GXTWGEPZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@H](CC)C1CCCCC1 ZINC000624701047 342820039 /nfs/dbraw/zinc/82/00/39/342820039.db2.gz HJLJGNBYSASGCT-JSGCOSHPSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@@H](CC)C1CCCCC1 ZINC000624701048 342820091 /nfs/dbraw/zinc/82/00/91/342820091.db2.gz HJLJGNBYSASGCT-OCCSQVGLSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@H](CC)C1CCCCC1 ZINC000624701049 342820101 /nfs/dbraw/zinc/82/01/01/342820101.db2.gz HJLJGNBYSASGCT-TZMCWYRMSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](NC(=O)C[C@H]1C=CCC1)C1CCCCC1 ZINC000624701060 342819996 /nfs/dbraw/zinc/81/99/96/342819996.db2.gz HQXUHSHPKMMOAQ-DZGCQCFKSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@H](NC(=O)C[C@@H]1C=CCC1)C1CCCCC1 ZINC000624701061 342820093 /nfs/dbraw/zinc/82/00/93/342820093.db2.gz HQXUHSHPKMMOAQ-HIFRSBDPSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H](NC(=O)C[C@@H]1C=CCC1)C1CCCCC1 ZINC000624701062 342820035 /nfs/dbraw/zinc/82/00/35/342820035.db2.gz HQXUHSHPKMMOAQ-UKRRQHHQSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@H](NC(=O)C[C@H]1C=CCC1)C1CCCCC1 ZINC000624701063 342820090 /nfs/dbraw/zinc/82/00/90/342820090.db2.gz HQXUHSHPKMMOAQ-ZFWWWQNUSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H](NC(=O)c1occc1C)C1CCCCC1 ZINC000624701103 342819972 /nfs/dbraw/zinc/81/99/72/342819972.db2.gz IFSWYHASCBBZNH-CYBMUJFWSA-N 0 0 249.354 3.677 20 0 BHADRN CC[C@H](NC(=O)c1occc1C)C1CCCCC1 ZINC000624701111 342820028 /nfs/dbraw/zinc/82/00/28/342820028.db2.gz IFSWYHASCBBZNH-ZDUSSCGKSA-N 0 0 249.354 3.677 20 0 BHADRN CCCCC(=O)N[C@H](CC)C1CCCCC1 ZINC000624701294 342820073 /nfs/dbraw/zinc/82/00/73/342820073.db2.gz JLILOJSRJLDLPJ-CYBMUJFWSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC(=O)N[C@@H](CC)C1CCCCC1 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BHADRN CC1(c2noc(Cc3cccs3)n2)CCCC1 ZINC000624751833 342826883 /nfs/dbraw/zinc/82/68/83/342826883.db2.gz FZHWJJKOYGSPTN-UHFFFAOYSA-N 0 0 248.351 3.554 20 0 BHADRN CC1(c2noc(/C=C\c3ccco3)n2)CCCC1 ZINC000624752499 342827164 /nfs/dbraw/zinc/82/71/64/342827164.db2.gz KJTWJUFDUQKCTK-SREVYHEPSA-N 0 0 244.294 3.665 20 0 BHADRN CC1(c2noc(/C=C/c3ccco3)n2)CCCC1 ZINC000624752501 342827255 /nfs/dbraw/zinc/82/72/55/342827255.db2.gz KJTWJUFDUQKCTK-VOTSOKGWSA-N 0 0 244.294 3.665 20 0 BHADRN CC1(c2noc([C@@H]3CC=CCC3)n2)CCCC1 ZINC000624754123 342824829 /nfs/dbraw/zinc/82/48/29/342824829.db2.gz OYJSMDZKJVTBOJ-LLVKDONJSA-N 0 0 232.327 3.725 20 0 BHADRN CC1(c2noc([C@H]3CC=CCC3)n2)CCCC1 ZINC000624754133 342824844 /nfs/dbraw/zinc/82/48/44/342824844.db2.gz OYJSMDZKJVTBOJ-NSHDSACASA-N 0 0 232.327 3.725 20 0 BHADRN CC1(c2noc(-c3ccsc3)n2)CCCC1 ZINC000624754185 342824826 /nfs/dbraw/zinc/82/48/26/342824826.db2.gz PGAOCIRAUUVOHI-UHFFFAOYSA-N 0 0 234.324 3.630 20 0 BHADRN CC1(c2noc(C3CCCC3)n2)CCCC1 ZINC000624754583 342824896 /nfs/dbraw/zinc/82/48/96/342824896.db2.gz SHFNUDUQCAHREH-UHFFFAOYSA-N 0 0 220.316 3.559 20 0 BHADRN CC1(c2noc(Cc3ccsc3)n2)CCCC1 ZINC000624754644 342824877 /nfs/dbraw/zinc/82/48/77/342824877.db2.gz TYYQYHDEIAQAIC-UHFFFAOYSA-N 0 0 248.351 3.554 20 0 BHADRN Cc1cc(-c2nc(C3(C)CCCC3)no2)c(C)o1 ZINC000624754791 342824874 /nfs/dbraw/zinc/82/48/74/342824874.db2.gz KSAINVLFBCUUPO-UHFFFAOYSA-N 0 0 246.310 3.778 20 0 BHADRN C/C(=C/c1nc(C2(C)CCCC2)no1)C1CC1 ZINC000624755701 342825054 /nfs/dbraw/zinc/82/50/54/342825054.db2.gz ZNIKXGMQSXXKDU-KTKRTIGZSA-N 0 0 232.327 3.715 20 0 BHADRN C/C(=C\c1nc(C2(C)CCCC2)no1)C1CC1 ZINC000624755703 342825169 /nfs/dbraw/zinc/82/51/69/342825169.db2.gz ZNIKXGMQSXXKDU-MDZDMXLPSA-N 0 0 232.327 3.715 20 0 BHADRN CC1(c2noc([C@H]3CC34CCCC4)n2)CCCC1 ZINC000624755999 342825071 /nfs/dbraw/zinc/82/50/71/342825071.db2.gz CAZITPSXXMXZGW-LLVKDONJSA-N 0 0 246.354 3.949 20 0 BHADRN CC1(c2noc([C@@H]3CC34CCCC4)n2)CCCC1 ZINC000624756007 342825097 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/nfs/dbraw/zinc/10/77/43/351107743.db2.gz GFPMTZMNONOQOY-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN CCC1(C(=O)NCC(C2CCC2)C2CCC2)CC1 ZINC000628319823 351116959 /nfs/dbraw/zinc/11/69/59/351116959.db2.gz RMFBSIJUBHAYLP-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN O=C(CCC1CC1)NCC(C1CCC1)C1CCC1 ZINC000628320226 411407528 /nfs/dbraw/zinc/40/75/28/411407528.db2.gz TVNIYYOZKYCHGQ-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN CCCCC(=O)NCC(C1CCC1)C1CCC1 ZINC000628320581 351150551 /nfs/dbraw/zinc/15/05/51/351150551.db2.gz SNNNGDFEAKJKRD-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CSc1cc(NCc2cnc(C)o2)ccc1C ZINC000628326805 351261540 /nfs/dbraw/zinc/26/15/40/351261540.db2.gz WPVRKZZIAUMVCR-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN Cc1ncc(CNc2ccc(Cl)c(C)c2)o1 ZINC000628327652 351265385 /nfs/dbraw/zinc/26/53/85/351265385.db2.gz KWQSHIJTLZOREV-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN C[C@@H](CC1CCC1)n1cnc2c1CCCC2 ZINC000628371393 355891585 /nfs/dbraw/zinc/89/15/85/355891585.db2.gz CFPNHBQIFNJQNT-NSHDSACASA-N 0 0 218.344 3.513 20 0 BHADRN C[C@H](CCC(F)(F)F)n1cnc2c1CCCC2 ZINC000628371429 355892360 /nfs/dbraw/zinc/89/23/60/355892360.db2.gz FKBJPNSXFINIKY-SECBINFHSA-N 0 0 246.276 3.665 20 0 BHADRN C[C@@H](CCC(F)(F)F)n1cnc2c1CCCC2 ZINC000628371430 355892434 /nfs/dbraw/zinc/89/24/34/355892434.db2.gz FKBJPNSXFINIKY-VIFPVBQESA-N 0 0 246.276 3.665 20 0 BHADRN CCCC[C@@H](C)n1cnc2c1CCCC2 ZINC000628371432 355892509 /nfs/dbraw/zinc/89/25/09/355892509.db2.gz FNWFORTUTIXQIP-LLVKDONJSA-N 0 0 206.333 3.513 20 0 BHADRN CCCC[C@H](C)n1cnc2c1CCCC2 ZINC000628371433 355892621 /nfs/dbraw/zinc/89/26/21/355892621.db2.gz FNWFORTUTIXQIP-NSHDSACASA-N 0 0 206.333 3.513 20 0 BHADRN C[C@H](Cc1cccs1)n1cnc2c1CCCC2 ZINC000628371459 355893981 /nfs/dbraw/zinc/89/39/81/355893981.db2.gz HUGAUVIWYVODJP-LLVKDONJSA-N 0 0 246.379 3.627 20 0 BHADRN C[C@@H](Cc1cccs1)n1cnc2c1CCCC2 ZINC000628371460 355894098 /nfs/dbraw/zinc/89/40/98/355894098.db2.gz HUGAUVIWYVODJP-NSHDSACASA-N 0 0 246.379 3.627 20 0 BHADRN CC(C)CC[C@@H](C)n1cnc2c1CCCC2 ZINC000628371489 355894088 /nfs/dbraw/zinc/89/40/88/355894088.db2.gz JCWZUFFTDLVMTO-GFCCVEGCSA-N 0 0 220.360 3.759 20 0 BHADRN CC(C)CC[C@H](C)n1cnc2c1CCCC2 ZINC000628371490 355893182 /nfs/dbraw/zinc/89/31/82/355893182.db2.gz JCWZUFFTDLVMTO-LBPRGKRZSA-N 0 0 220.360 3.759 20 0 BHADRN C[C@H](Cc1ccsc1)n1cnc2c1CCCC2 ZINC000628371552 355895147 /nfs/dbraw/zinc/89/51/47/355895147.db2.gz NBNCGQJVZOEAAX-LLVKDONJSA-N 0 0 246.379 3.627 20 0 BHADRN C[C@@H](Cc1ccsc1)n1cnc2c1CCCC2 ZINC000628371553 355896245 /nfs/dbraw/zinc/89/62/45/355896245.db2.gz NBNCGQJVZOEAAX-NSHDSACASA-N 0 0 246.379 3.627 20 0 BHADRN C[C@H](CCC1CC1)n1cnc2c1CCCC2 ZINC000628371586 355912577 /nfs/dbraw/zinc/91/25/77/355912577.db2.gz QATFLOAGJWCCHE-LLVKDONJSA-N 0 0 218.344 3.513 20 0 BHADRN C[C@@H](CCC1CC1)n1cnc2c1CCCC2 ZINC000628371587 355913141 /nfs/dbraw/zinc/91/31/41/355913141.db2.gz QATFLOAGJWCCHE-NSHDSACASA-N 0 0 218.344 3.513 20 0 BHADRN c1nc2c(n1C1CCC3(CC3)CC1)CCCC2 ZINC000628371816 356018864 /nfs/dbraw/zinc/01/88/64/356018864.db2.gz HSDROINHYCWRBV-UHFFFAOYSA-N 0 0 230.355 3.657 20 0 BHADRN FC1(F)CCC(n2cnc3c2CCCC3)CC1 ZINC000628371833 356018771 /nfs/dbraw/zinc/01/87/71/356018771.db2.gz JASBRLURKKKIKQ-UHFFFAOYSA-N 0 0 240.297 3.512 20 0 BHADRN C[C@H](C1CCCC1)n1cnc2c1CCCC2 ZINC000628372018 356037358 /nfs/dbraw/zinc/03/73/58/356037358.db2.gz UWAADKVBYXZEAL-LLVKDONJSA-N 0 0 218.344 3.513 20 0 BHADRN C[C@@H](C1CCCC1)n1cnc2c1CCCC2 ZINC000628372019 356036989 /nfs/dbraw/zinc/03/69/89/356036989.db2.gz UWAADKVBYXZEAL-NSHDSACASA-N 0 0 218.344 3.513 20 0 BHADRN c1nc2c(n1[C@@H]1CC[C@H]1C1CCC1)CCCC2 ZINC000628372036 356029470 /nfs/dbraw/zinc/02/94/70/356029470.db2.gz WNUXPUINBVBOES-GXTWGEPZSA-N 0 0 230.355 3.513 20 0 BHADRN c1nc2c(n1[C@H]1CC[C@H]1C1CCC1)CCCC2 ZINC000628372037 356029849 /nfs/dbraw/zinc/02/98/49/356029849.db2.gz WNUXPUINBVBOES-JSGCOSHPSA-N 0 0 230.355 3.513 20 0 BHADRN c1nc2c(n1[C@H]1CC[C@@H]1C1CCC1)CCCC2 ZINC000628372038 356029578 /nfs/dbraw/zinc/02/95/78/356029578.db2.gz WNUXPUINBVBOES-OCCSQVGLSA-N 0 0 230.355 3.513 20 0 BHADRN c1nc2c(n1[C@@H]1CC[C@@H]1C1CCC1)CCCC2 ZINC000628372039 356030135 /nfs/dbraw/zinc/03/01/35/356030135.db2.gz WNUXPUINBVBOES-TZMCWYRMSA-N 0 0 230.355 3.513 20 0 BHADRN CC[C@H](C)c1cccc(NCc2csnn2)c1 ZINC000628400304 357194026 /nfs/dbraw/zinc/19/40/26/357194026.db2.gz BCIHMLLLHMUSLW-JTQLQIEISA-N 0 0 247.367 3.664 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2csnn2)c1 ZINC000628400305 357194106 /nfs/dbraw/zinc/19/41/06/357194106.db2.gz BCIHMLLLHMUSLW-SNVBAGLBSA-N 0 0 247.367 3.664 20 0 BHADRN CC[C@@H](C)c1cccc(N[C@H]2CCCOC2)c1 ZINC000628400901 357196146 /nfs/dbraw/zinc/19/61/46/357196146.db2.gz LEOAPRHYBMCNHM-DOMZBBRYSA-N 0 0 233.355 3.791 20 0 BHADRN CC[C@@H](C)c1cccc(N[C@@H]2CCCOC2)c1 ZINC000628400902 357196394 /nfs/dbraw/zinc/19/63/94/357196394.db2.gz LEOAPRHYBMCNHM-IUODEOHRSA-N 0 0 233.355 3.791 20 0 BHADRN CC[C@H](C)c1cccc(N[C@@H]2CCCOC2)c1 ZINC000628400903 357196335 /nfs/dbraw/zinc/19/63/35/357196335.db2.gz LEOAPRHYBMCNHM-SWLSCSKDSA-N 0 0 233.355 3.791 20 0 BHADRN CC[C@H](C)c1cccc(N[C@H]2CCCOC2)c1 ZINC000628400904 357196423 /nfs/dbraw/zinc/19/64/23/357196423.db2.gz LEOAPRHYBMCNHM-WFASDCNBSA-N 0 0 233.355 3.791 20 0 BHADRN CC[C@@H](C)c1cccc(NC2CCOCC2)c1 ZINC000628400945 357196431 /nfs/dbraw/zinc/19/64/31/357196431.db2.gz MFNFUWXOVFQXSS-GFCCVEGCSA-N 0 0 233.355 3.791 20 0 BHADRN CC[C@H](C)c1cccc(NC2CCOCC2)c1 ZINC000628400946 357196400 /nfs/dbraw/zinc/19/64/00/357196400.db2.gz MFNFUWXOVFQXSS-LBPRGKRZSA-N 0 0 233.355 3.791 20 0 BHADRN CC[C@H](C)c1cccc(NC2CSC2)c1 ZINC000628401523 357196416 /nfs/dbraw/zinc/19/64/16/357196416.db2.gz WTXPJMIYCLGMLW-JTQLQIEISA-N 0 0 221.369 3.727 20 0 BHADRN CC[C@@H](C)c1cccc(NC2CSC2)c1 ZINC000628401524 357196428 /nfs/dbraw/zinc/19/64/28/357196428.db2.gz WTXPJMIYCLGMLW-SNVBAGLBSA-N 0 0 221.369 3.727 20 0 BHADRN Cc1cc2cc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)oc2cc1C ZINC000628408437 357204770 /nfs/dbraw/zinc/20/47/70/357204770.db2.gz ACDOIRVJHKVKNI-OKILXGFUSA-N 0 0 241.334 3.501 20 0 BHADRN Clc1scc(CN2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000628410232 357216620 /nfs/dbraw/zinc/21/66/20/357216620.db2.gz IAXPCJZTZFALJR-KNVOCYPGSA-N 0 0 248.178 3.507 20 0 BHADRN Clc1cc(CN2C[C@@H]3C[C@@H]3C2)c(Cl)s1 ZINC000628410652 357217968 /nfs/dbraw/zinc/21/79/68/357217968.db2.gz PHUXAJTWERWUSU-KNVOCYPGSA-N 0 0 248.178 3.507 20 0 BHADRN FC1(F)CCCN(Cc2ccc(Cl)o2)CC1 ZINC000628422342 357242954 /nfs/dbraw/zinc/24/29/54/357242954.db2.gz YIJKUTIIBUDREC-UHFFFAOYSA-N 0 0 249.688 3.554 20 0 BHADRN COc1cccc(N[C@H](C)c2ccccn2)c1C ZINC000628423680 357248597 /nfs/dbraw/zinc/24/85/97/357248597.db2.gz FSYGKNOURAMYDE-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1cccc(N[C@@H](C)c2ccccn2)c1C ZINC000628423681 357248828 /nfs/dbraw/zinc/24/88/28/357248828.db2.gz FSYGKNOURAMYDE-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN COc1cccc(N[C@H](C)Cc2ccoc2)c1C ZINC000628424963 357251410 /nfs/dbraw/zinc/25/14/10/357251410.db2.gz XFTCNAXWCSTOGU-LLVKDONJSA-N 0 0 245.322 3.640 20 0 BHADRN COc1cccc(N[C@@H](C)Cc2ccoc2)c1C ZINC000628424964 357251421 /nfs/dbraw/zinc/25/14/21/357251421.db2.gz XFTCNAXWCSTOGU-NSHDSACASA-N 0 0 245.322 3.640 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)[C@H]2CC23CC3)c1 ZINC000628430550 357590949 /nfs/dbraw/zinc/59/09/49/357590949.db2.gz AUNOCRRCOWZAMB-BXUZGUMPSA-N 0 0 243.350 3.939 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)[C@@H]2CC23CC3)c1 ZINC000628430551 357591232 /nfs/dbraw/zinc/59/12/32/357591232.db2.gz AUNOCRRCOWZAMB-FZMZJTMJSA-N 0 0 243.350 3.939 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)[C@@H]2CC23CC3)c1 ZINC000628430552 357590962 /nfs/dbraw/zinc/59/09/62/357590962.db2.gz AUNOCRRCOWZAMB-RISCZKNCSA-N 0 0 243.350 3.939 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)[C@H]2CC23CC3)c1 ZINC000628430553 357591642 /nfs/dbraw/zinc/59/16/42/357591642.db2.gz AUNOCRRCOWZAMB-SMDDNHRTSA-N 0 0 243.350 3.939 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)CCCF)c1 ZINC000628431421 357620688 /nfs/dbraw/zinc/62/06/88/357620688.db2.gz VYMVVGKJZVPSNP-LLVKDONJSA-N 0 0 237.318 3.888 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)CCCF)c1 ZINC000628431422 357623758 /nfs/dbraw/zinc/62/37/58/357623758.db2.gz VYMVVGKJZVPSNP-NSHDSACASA-N 0 0 237.318 3.888 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)C23CC(C2)C3)c1 ZINC000628431595 357644681 /nfs/dbraw/zinc/64/46/81/357644681.db2.gz ZQCJPSKKKYGHIW-FZWSLVFFSA-N 0 0 243.350 3.939 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)C23CC(C2)C3)c1 ZINC000628431596 357644873 /nfs/dbraw/zinc/64/48/73/357644873.db2.gz ZQCJPSKKKYGHIW-OPGSHWCFSA-N 0 0 243.350 3.939 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)C2(C)CC2)c1 ZINC000628432540 398063297 /nfs/dbraw/zinc/06/32/97/398063297.db2.gz HMXFPEHBJHAZJV-LLVKDONJSA-N 0 0 231.339 3.939 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)C2(C)CC2)c1 ZINC000628432541 398063327 /nfs/dbraw/zinc/06/33/27/398063327.db2.gz HMXFPEHBJHAZJV-NSHDSACASA-N 0 0 231.339 3.939 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)COC(C)C)c1 ZINC000628433039 357991070 /nfs/dbraw/zinc/99/10/70/357991070.db2.gz DKMSPJHHHQHFKS-GFCCVEGCSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)COC(C)C)c1 ZINC000628433040 357991375 /nfs/dbraw/zinc/99/13/75/357991375.db2.gz DKMSPJHHHQHFKS-LBPRGKRZSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)[C@@H](CC)OC)c1 ZINC000628433075 357991505 /nfs/dbraw/zinc/99/15/05/357991505.db2.gz FFFBOUYRJZZXPN-BXUZGUMPSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)[C@H](CC)OC)c1 ZINC000628433076 357991053 /nfs/dbraw/zinc/99/10/53/357991053.db2.gz FFFBOUYRJZZXPN-FZMZJTMJSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)[C@H](CC)OC)c1 ZINC000628433077 357991497 /nfs/dbraw/zinc/99/14/97/357991497.db2.gz FFFBOUYRJZZXPN-RISCZKNCSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@@H](OC)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000628433078 357991338 /nfs/dbraw/zinc/99/13/38/357991338.db2.gz FFFBOUYRJZZXPN-SMDDNHRTSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)C(C)(C)OC)c1 ZINC000628433137 357991389 /nfs/dbraw/zinc/99/13/89/357991389.db2.gz GPLMDCANHBGBIU-LLVKDONJSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)C(C)(C)OC)c1 ZINC000628433138 357991117 /nfs/dbraw/zinc/99/11/17/357991117.db2.gz GPLMDCANHBGBIU-NSHDSACASA-N 0 0 249.354 3.564 20 0 BHADRN CCOCCC(=O)Nc1cccc([C@H](C)CC)c1 ZINC000628433160 357991367 /nfs/dbraw/zinc/99/13/67/357991367.db2.gz HDZQWSKQGHBQDG-GFCCVEGCSA-N 0 0 249.354 3.565 20 0 BHADRN CCOCCC(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000628433161 357991019 /nfs/dbraw/zinc/99/10/19/357991019.db2.gz HDZQWSKQGHBQDG-LBPRGKRZSA-N 0 0 249.354 3.565 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)c2cc[nH]c2)c1 ZINC000628433271 357991183 /nfs/dbraw/zinc/99/11/83/357991183.db2.gz KSPUSLAOVGXRGW-LLVKDONJSA-N 0 0 242.322 3.781 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)c2cc[nH]c2)c1 ZINC000628433272 357991535 /nfs/dbraw/zinc/99/15/35/357991535.db2.gz KSPUSLAOVGXRGW-NSHDSACASA-N 0 0 242.322 3.781 20 0 BHADRN CCCOCC(=O)Nc1cccc([C@H](C)CC)c1 ZINC000628433283 357991380 /nfs/dbraw/zinc/99/13/80/357991380.db2.gz LADMBQIOIGEFQR-GFCCVEGCSA-N 0 0 249.354 3.565 20 0 BHADRN CCCOCC(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000628433284 357991198 /nfs/dbraw/zinc/99/11/98/357991198.db2.gz LADMBQIOIGEFQR-LBPRGKRZSA-N 0 0 249.354 3.565 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)CCCOC)c1 ZINC000628433432 357991371 /nfs/dbraw/zinc/99/13/71/357991371.db2.gz PTUDQJKCTFIHNX-GFCCVEGCSA-N 0 0 249.354 3.565 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)CCCOC)c1 ZINC000628433433 357991334 /nfs/dbraw/zinc/99/13/34/357991334.db2.gz PTUDQJKCTFIHNX-LBPRGKRZSA-N 0 0 249.354 3.565 20 0 BHADRN CCO[C@@H](C)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000628433806 357992083 /nfs/dbraw/zinc/99/20/83/357992083.db2.gz CSJVJESEXPMHNP-NEPJUHHUSA-N 0 0 249.354 3.564 20 0 BHADRN CCO[C@H](C)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000628433807 357991928 /nfs/dbraw/zinc/99/19/28/357991928.db2.gz CSJVJESEXPMHNP-NWDGAFQWSA-N 0 0 249.354 3.564 20 0 BHADRN CCO[C@@H](C)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000628433808 357992080 /nfs/dbraw/zinc/99/20/80/357992080.db2.gz CSJVJESEXPMHNP-RYUDHWBXSA-N 0 0 249.354 3.564 20 0 BHADRN CCO[C@H](C)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000628433809 357992272 /nfs/dbraw/zinc/99/22/72/357992272.db2.gz CSJVJESEXPMHNP-VXGBXAGGSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)c2ccc[nH]2)c1 ZINC000628433810 357992119 /nfs/dbraw/zinc/99/21/19/357992119.db2.gz CTHUFMUSPQHDJK-LLVKDONJSA-N 0 0 242.322 3.781 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)c2ccc[nH]2)c1 ZINC000628433811 357991807 /nfs/dbraw/zinc/99/18/07/357991807.db2.gz CTHUFMUSPQHDJK-NSHDSACASA-N 0 0 242.322 3.781 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)C(C)C)c1 ZINC000628434018 357991788 /nfs/dbraw/zinc/99/17/88/357991788.db2.gz IQALMGVGTFBJDN-LLVKDONJSA-N 0 0 219.328 3.795 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)C(C)C)c1 ZINC000628434019 357992274 /nfs/dbraw/zinc/99/22/74/357992274.db2.gz IQALMGVGTFBJDN-NSHDSACASA-N 0 0 219.328 3.795 20 0 BHADRN CCC(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000628434052 357991974 /nfs/dbraw/zinc/99/19/74/357991974.db2.gz JJWHCKRXXRQDTK-JTQLQIEISA-N 0 0 205.301 3.549 20 0 BHADRN CCC(=O)Nc1cccc([C@H](C)CC)c1 ZINC000628434053 357992331 /nfs/dbraw/zinc/99/23/31/357992331.db2.gz JJWHCKRXXRQDTK-SNVBAGLBSA-N 0 0 205.301 3.549 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)C2CC2)c1 ZINC000628434123 357991835 /nfs/dbraw/zinc/99/18/35/357991835.db2.gz LSLGIEBEMKFEFL-JTQLQIEISA-N 0 0 217.312 3.549 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)C2CC2)c1 ZINC000628434124 357991897 /nfs/dbraw/zinc/99/18/97/357991897.db2.gz LSLGIEBEMKFEFL-SNVBAGLBSA-N 0 0 217.312 3.549 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)CCC(C)=O)c1 ZINC000628434595 357992671 /nfs/dbraw/zinc/99/26/71/357992671.db2.gz ZYMIXJUPHSKJDE-LLVKDONJSA-N 0 0 247.338 3.508 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)CCC(C)=O)c1 ZINC000628434596 357992786 /nfs/dbraw/zinc/99/27/86/357992786.db2.gz ZYMIXJUPHSKJDE-NSHDSACASA-N 0 0 247.338 3.508 20 0 BHADRN CCC(F)(F)CNCCc1cccc(Cl)c1 ZINC000628435245 357997622 /nfs/dbraw/zinc/99/76/22/357997622.db2.gz DFHVVGAXDFJQMT-UHFFFAOYSA-N 0 0 247.716 3.517 20 0 BHADRN CCC(F)(F)CNCC[C@@H](C)c1ccccc1 ZINC000628435257 357997613 /nfs/dbraw/zinc/99/76/13/357997613.db2.gz DUOKHBZNUFRNAO-GFCCVEGCSA-N 0 0 241.325 3.815 20 0 BHADRN CCC(F)(F)CNCC[C@H](C)c1ccccc1 ZINC000628435258 357997603 /nfs/dbraw/zinc/99/76/03/357997603.db2.gz DUOKHBZNUFRNAO-LBPRGKRZSA-N 0 0 241.325 3.815 20 0 BHADRN CCC(F)(F)CNCCc1ccc(Cl)cc1 ZINC000628435617 357997753 /nfs/dbraw/zinc/99/77/53/357997753.db2.gz SLPBAFYQMJQEJM-UHFFFAOYSA-N 0 0 247.716 3.517 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)C2CCCC2)C1 ZINC000628531384 360466521 /nfs/dbraw/zinc/46/65/21/360466521.db2.gz FKZZCGYYIUZHBV-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc(C(=O)N2CC(C)(C)CCC2(C)C)o1 ZINC000628531548 360463812 /nfs/dbraw/zinc/46/38/12/360463812.db2.gz UPSPIMAEEUSVGV-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)c2ccccc2)C1 ZINC000628531563 360464144 /nfs/dbraw/zinc/46/41/44/360464144.db2.gz VHFMVULBIFOUNV-UHFFFAOYSA-N 0 0 245.366 3.727 20 0 BHADRN CCC(CC)C(=O)N1CC(C)(C)CCC1(C)C ZINC000628531739 360487141 /nfs/dbraw/zinc/48/71/41/360487141.db2.gz GHSRHYDIKICPRO-UHFFFAOYSA-N 0 0 239.403 3.850 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)[C@@H]2CC=CCC2)C1 ZINC000628531774 360486737 /nfs/dbraw/zinc/48/67/37/360486737.db2.gz HYYMMWPHXZHXAV-CYBMUJFWSA-N 0 0 249.398 3.770 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)[C@H]2CC=CCC2)C1 ZINC000628531775 360486428 /nfs/dbraw/zinc/48/64/28/360486428.db2.gz HYYMMWPHXZHXAV-ZDUSSCGKSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)(C)CC(=O)N1CC(C)(C)CCC1(C)C ZINC000628531778 360486955 /nfs/dbraw/zinc/48/69/55/360486955.db2.gz HZNIFQQICCYOBS-UHFFFAOYSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1ccoc1C(=O)N1CC(C)(C)CCC1(C)C ZINC000628531819 360486281 /nfs/dbraw/zinc/48/62/81/360486281.db2.gz JRBLVCAWSGBGOX-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)C[C@@H]2C=CCC2)C1 ZINC000628531964 360486467 /nfs/dbraw/zinc/48/64/67/360486467.db2.gz PHRLWTRLMKOBAO-CYBMUJFWSA-N 0 0 249.398 3.770 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)C[C@H]2C=CCC2)C1 ZINC000628531965 360486962 /nfs/dbraw/zinc/48/69/62/360486962.db2.gz PHRLWTRLMKOBAO-ZDUSSCGKSA-N 0 0 249.398 3.770 20 0 BHADRN 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ZINC000628532587 398222620 /nfs/dbraw/zinc/22/26/20/398222620.db2.gz RCHPHNZDSMIJKG-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)CCC2CC2)C1 ZINC000628532686 360534307 /nfs/dbraw/zinc/53/43/07/360534307.db2.gz WNNPZXIFWSBTIX-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)[C@H]2CC23CCC3)C1 ZINC000628532857 360535474 /nfs/dbraw/zinc/53/54/74/360535474.db2.gz DJLUXSFAXUGBHA-GFCCVEGCSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)[C@@H]2CC23CCC3)C1 ZINC000628532858 360535262 /nfs/dbraw/zinc/53/52/62/360535262.db2.gz DJLUXSFAXUGBHA-LBPRGKRZSA-N 0 0 249.398 3.604 20 0 BHADRN Cc1cc(C(=O)N2CC(C)(C)CCC2(C)C)co1 ZINC000628533067 360535605 /nfs/dbraw/zinc/53/56/05/360535605.db2.gz NBNVGPCDMMVPDD-UHFFFAOYSA-N 0 0 249.354 3.629 20 0 BHADRN CC1(CC(=O)N2CC(C)(C)CCC2(C)C)CC1 ZINC000628533094 360535601 /nfs/dbraw/zinc/53/56/01/360535601.db2.gz OGCRPNXDQOZEKW-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN C=C/C(C)=C\CC(=O)N1CC(C)(C)CCC1(C)C ZINC000628533252 360535340 /nfs/dbraw/zinc/53/53/40/360535340.db2.gz UZIPQNNYTIVCKB-JYRVWZFOSA-N 0 0 249.398 3.936 20 0 BHADRN C=C/C(C)=C/CC(=O)N1CC(C)(C)CCC1(C)C ZINC000628533253 360535216 /nfs/dbraw/zinc/53/52/16/360535216.db2.gz UZIPQNNYTIVCKB-MDWZMJQESA-N 0 0 249.398 3.936 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)[C@@]23C[C@@H]2CCC3)C1 ZINC000628533901 360534324 /nfs/dbraw/zinc/53/43/24/360534324.db2.gz WBOHFHCJONZSLK-LRDDRELGSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000628533902 360534334 /nfs/dbraw/zinc/53/43/34/360534334.db2.gz WBOHFHCJONZSLK-MLGOLLRUSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CCC(C)(C)N(C(=O)C2CC3(CC3)C2)C1 ZINC000628534199 360536429 /nfs/dbraw/zinc/53/64/29/360536429.db2.gz JTJYPXWVNHDFJG-UHFFFAOYSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)c1cccc(C(=O)NCC2CC=CC2)c1 ZINC000628541878 360547145 /nfs/dbraw/zinc/54/71/45/360547145.db2.gz NUVLPPAAYVOBFU-UHFFFAOYSA-N 0 0 243.350 3.506 20 0 BHADRN CCCC[C@H](C(=O)NCC1CC=CC1)C(C)C ZINC000628542008 360546761 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237.387 3.652 20 0 BHADRN CCC(CC)C(=O)NC(CC)(C1CC1)C1CC1 ZINC000628606415 360569372 /nfs/dbraw/zinc/56/93/72/360569372.db2.gz YGDXKQURCSOPHK-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(NC(=O)CC(C)(C)C)(C1CC1)C1CC1 ZINC000628606443 360569424 /nfs/dbraw/zinc/56/94/24/360569424.db2.gz ZXPCEGDSGBVOLP-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(NC(=O)CCC(C)C)(C1CC1)C1CC1 ZINC000628606471 360569276 /nfs/dbraw/zinc/56/92/76/360569276.db2.gz BWZBCUOJRBASTR-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN C=C/C(C)=C\CC(=O)NC(CC)(C1CC1)C1CC1 ZINC000628607139 360569024 /nfs/dbraw/zinc/56/90/24/360569024.db2.gz KQPXAMOHDBZJFM-SDQBBNPISA-N 0 0 247.382 3.594 20 0 BHADRN C=C/C(C)=C/CC(=O)NC(CC)(C1CC1)C1CC1 ZINC000628607140 360569122 /nfs/dbraw/zinc/56/91/22/360569122.db2.gz KQPXAMOHDBZJFM-WUXMJOGZSA-N 0 0 247.382 3.594 20 0 BHADRN CCC(NC(=O)C1=CCCCC1)(C1CC1)C1CC1 ZINC000628607264 360569213 /nfs/dbraw/zinc/56/92/13/360569213.db2.gz PNNWJWQEIAEQDQ-UHFFFAOYSA-N 0 0 247.382 3.572 20 0 BHADRN 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CCc1ccc([C@H](C)NCc2ccc(C)o2)o1 ZINC000631727504 372523555 /nfs/dbraw/zinc/52/35/55/372523555.db2.gz CFKZPSUNDKMTLB-NSHDSACASA-N 0 0 233.311 3.594 20 0 BHADRN Cc1ccc(CN[C@H](C)c2cc(C)c(C)o2)o1 ZINC000631730561 372535131 /nfs/dbraw/zinc/53/51/31/372535131.db2.gz XMQXBGSYZXBPHD-LLVKDONJSA-N 0 0 233.311 3.649 20 0 BHADRN Cc1ccc(CN[C@@H](C)c2cc(C)c(C)o2)o1 ZINC000631730562 372535051 /nfs/dbraw/zinc/53/50/51/372535051.db2.gz XMQXBGSYZXBPHD-NSHDSACASA-N 0 0 233.311 3.649 20 0 BHADRN CC[C@H](CC(=O)NC1(C2CC2)CC1)C(C)(C)C ZINC000631804732 372582588 /nfs/dbraw/zinc/58/25/88/372582588.db2.gz GWRUDNZNYJGUBD-LLVKDONJSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](CC(=O)NC1(C2CC2)CC1)C(C)(C)C ZINC000631804733 372582827 /nfs/dbraw/zinc/58/28/27/372582827.db2.gz GWRUDNZNYJGUBD-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)c1noc([C@@H]2Cc3ccc(Cl)cc32)n1 ZINC000632005870 372721656 /nfs/dbraw/zinc/72/16/56/372721656.db2.gz HPHWADICQGLVSQ-LLVKDONJSA-N 0 0 248.713 3.534 20 0 BHADRN CC(C)c1noc([C@H]2Cc3ccc(Cl)cc32)n1 ZINC000632005871 372722095 /nfs/dbraw/zinc/72/20/95/372722095.db2.gz HPHWADICQGLVSQ-NSHDSACASA-N 0 0 248.713 3.534 20 0 BHADRN CC(C)c1noc(-c2cscc2Cl)n1 ZINC000632006012 372721950 /nfs/dbraw/zinc/72/19/50/372721950.db2.gz MGHWSQHOGMBYTG-UHFFFAOYSA-N 0 0 228.704 3.575 20 0 BHADRN Clc1cscc1-c1nc(C2CCC2)no1 ZINC000632033765 372732628 /nfs/dbraw/zinc/73/26/28/372732628.db2.gz FDWKSNIMVMNYNZ-UHFFFAOYSA-N 0 0 240.715 3.719 20 0 BHADRN CC(C)C[C@@H](C)NC(=O)c1cscc1Cl ZINC000632058780 372737066 /nfs/dbraw/zinc/73/70/66/372737066.db2.gz RERNXSMAFQDDQF-MRVPVSSYSA-N 0 0 245.775 3.566 20 0 BHADRN CC(C)C[C@H](C)NC(=O)c1cscc1Cl ZINC000632058781 372736852 /nfs/dbraw/zinc/73/68/52/372736852.db2.gz RERNXSMAFQDDQF-QMMMGPOBSA-N 0 0 245.775 3.566 20 0 BHADRN CCC(CC)c1noc(C2(C(F)F)CCC2)n1 ZINC000632061693 372742757 /nfs/dbraw/zinc/74/27/57/372742757.db2.gz AMXXTZKULHFNOA-UHFFFAOYSA-N 0 0 244.285 3.660 20 0 BHADRN Cc1cc(C)c(C(=O)NCCC2=CCCC2)s1 ZINC000632077630 372749266 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ZINC000637632416 350997734 /nfs/dbraw/zinc/99/77/34/350997734.db2.gz MSJQHEFWZAEJHA-JTQLQIEISA-N 0 0 238.331 3.563 20 0 BHADRN CC[C@@H](C)CCC(=O)Nc1nc(C(C)C)co1 ZINC000637632417 350997423 /nfs/dbraw/zinc/99/74/23/350997423.db2.gz MSJQHEFWZAEJHA-SNVBAGLBSA-N 0 0 238.331 3.563 20 0 BHADRN CCCC(C)(C)C(=O)Nc1nc(C(C)C)co1 ZINC000637633255 351007895 /nfs/dbraw/zinc/00/78/95/351007895.db2.gz ZJUGSWFXCFAGBX-UHFFFAOYSA-N 0 0 238.331 3.563 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1nc(C(C)C)co1 ZINC000637633402 351003661 /nfs/dbraw/zinc/00/36/61/351003661.db2.gz ZHVCXMDRGFIVRS-JTQLQIEISA-N 0 0 238.331 3.563 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1nc(C(C)C)co1 ZINC000637633403 351003694 /nfs/dbraw/zinc/00/36/94/351003694.db2.gz ZHVCXMDRGFIVRS-SNVBAGLBSA-N 0 0 238.331 3.563 20 0 BHADRN CC(C)CCCC(=O)Nc1nc(C(C)C)co1 ZINC000637633408 351003919 /nfs/dbraw/zinc/00/39/19/351003919.db2.gz ZJKNNQZUOUOKTC-UHFFFAOYSA-N 0 0 238.331 3.563 20 0 BHADRN CCC(C)(CC)C(=O)Nc1nc(C(C)C)co1 ZINC000637634565 351013882 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248.370 3.651 20 0 BHADRN CCCCN(C(=O)[C@H](C)CCC)c1ccccn1 ZINC000637722689 351569357 /nfs/dbraw/zinc/56/93/57/351569357.db2.gz ALAHQVALFVYBKK-CYBMUJFWSA-N 0 0 248.370 3.651 20 0 BHADRN CCCCN(C(=O)[C@@H](C)CCC)c1ccccn1 ZINC000637722690 351569606 /nfs/dbraw/zinc/56/96/06/351569606.db2.gz ALAHQVALFVYBKK-ZDUSSCGKSA-N 0 0 248.370 3.651 20 0 BHADRN CCCCN(C(=O)[C@H](C)C(C)C)c1ccccn1 ZINC000637723104 351568244 /nfs/dbraw/zinc/56/82/44/351568244.db2.gz YXOIVDFQFLWPQD-CYBMUJFWSA-N 0 0 248.370 3.507 20 0 BHADRN CCCCN(C(=O)[C@@H](C)C(C)C)c1ccccn1 ZINC000637723105 351568401 /nfs/dbraw/zinc/56/84/01/351568401.db2.gz YXOIVDFQFLWPQD-ZDUSSCGKSA-N 0 0 248.370 3.507 20 0 BHADRN CCCCN(C(=O)CCC(C)C)c1ccccn1 ZINC000637723544 351569600 /nfs/dbraw/zinc/56/96/00/351569600.db2.gz LQXMJYMEZPADGZ-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CCCCN(C(=O)C(CC)CC)c1ccccn1 ZINC000637724172 351570658 /nfs/dbraw/zinc/57/06/58/351570658.db2.gz UNAZYEVANLCHQS-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CCCCCC(=O)N(CCCC)c1ccccn1 ZINC000637725296 351571878 /nfs/dbraw/zinc/57/18/78/351571878.db2.gz NZUFQUFZUIUEDP-UHFFFAOYSA-N 0 0 248.370 3.795 20 0 BHADRN CC[C@@H](C)C(=O)N(c1ccccc1)C1CCC1 ZINC000637746485 351593696 /nfs/dbraw/zinc/59/36/96/351593696.db2.gz BEZIHPSSLIUHRB-GFCCVEGCSA-N 0 0 231.339 3.618 20 0 BHADRN CC[C@H](C)C(=O)N(c1ccccc1)C1CCC1 ZINC000637746493 351593684 /nfs/dbraw/zinc/59/36/84/351593684.db2.gz BEZIHPSSLIUHRB-LBPRGKRZSA-N 0 0 231.339 3.618 20 0 BHADRN CC(C)CC(=O)N(c1ccccc1)C1CCC1 ZINC000637746952 351594271 /nfs/dbraw/zinc/59/42/71/351594271.db2.gz KMNCUMPREVCDOJ-UHFFFAOYSA-N 0 0 231.339 3.618 20 0 BHADRN O=C(C1CCCC1)N(c1ccccc1)C1CCC1 ZINC000637747899 351593552 /nfs/dbraw/zinc/59/35/52/351593552.db2.gz VUWWKPZGZFXRLT-UHFFFAOYSA-N 0 0 243.350 3.762 20 0 BHADRN O=C(C1CC=CC1)N(c1ccccc1)C1CCC1 ZINC000637748821 351594167 /nfs/dbraw/zinc/59/41/67/351594167.db2.gz FDAGVXDEJFPDJX-UHFFFAOYSA-N 0 0 241.334 3.538 20 0 BHADRN CC1CC(C(=O)N(c2ccccc2)C2CCC2)C1 ZINC000637749288 351594419 /nfs/dbraw/zinc/59/44/19/351594419.db2.gz LERRWARYLNXOFD-UHFFFAOYSA-N 0 0 243.350 3.618 20 0 BHADRN C[C@@H](C(=O)N(c1ccccc1)C1CCC1)C1CC1 ZINC000637750519 351595195 /nfs/dbraw/zinc/59/51/95/351595195.db2.gz XRKCDGJCOPIOCS-GFCCVEGCSA-N 0 0 243.350 3.618 20 0 BHADRN C[C@H](C(=O)N(c1ccccc1)C1CCC1)C1CC1 ZINC000637750520 351595505 /nfs/dbraw/zinc/59/55/05/351595505.db2.gz XRKCDGJCOPIOCS-LBPRGKRZSA-N 0 0 243.350 3.618 20 0 BHADRN Cc1ccc2cnccc2c1NC(=O)CC(C)C ZINC000637752090 351596223 /nfs/dbraw/zinc/59/62/23/351596223.db2.gz FDYNHFHJTXLHQN-UHFFFAOYSA-N 0 0 242.322 3.528 20 0 BHADRN CCCCC(=O)Nc1c(C)ccc2cnccc21 ZINC000637752487 351596748 /nfs/dbraw/zinc/59/67/48/351596748.db2.gz JERVAGUSQVLTDR-UHFFFAOYSA-N 0 0 242.322 3.672 20 0 BHADRN Cc1ccc2cnccc2c1NC(=O)C(C)(C)C ZINC000637752511 351596310 /nfs/dbraw/zinc/59/63/10/351596310.db2.gz JJMSYSIGEHRYPD-UHFFFAOYSA-N 0 0 242.322 3.528 20 0 BHADRN CC[C@H](C)C(=O)Nc1c(C)ccc2cnccc21 ZINC000637753385 351596761 /nfs/dbraw/zinc/59/67/61/351596761.db2.gz ODIGECDTAXKBGO-JTQLQIEISA-N 0 0 242.322 3.528 20 0 BHADRN CC[C@@H](C)C(=O)Nc1c(C)ccc2cnccc21 ZINC000637753387 351596531 /nfs/dbraw/zinc/59/65/31/351596531.db2.gz ODIGECDTAXKBGO-SNVBAGLBSA-N 0 0 242.322 3.528 20 0 BHADRN CC[C@H](CC(=O)Nc1ccccc1N)C(C)(C)C ZINC000637803817 351640787 /nfs/dbraw/zinc/64/07/87/351640787.db2.gz OCYMCNAEGCMRHL-LLVKDONJSA-N 0 0 248.370 3.670 20 0 BHADRN CC[C@@H](CC(=O)Nc1ccccc1N)C(C)(C)C ZINC000637803818 351640373 /nfs/dbraw/zinc/64/03/73/351640373.db2.gz OCYMCNAEGCMRHL-NSHDSACASA-N 0 0 248.370 3.670 20 0 BHADRN Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ccns1 ZINC000637901902 351771338 /nfs/dbraw/zinc/77/13/38/351771338.db2.gz IZENGMJIQXPCKA-GFCCVEGCSA-N 0 0 246.379 3.645 20 0 BHADRN Cc1ccccc1[C@H](C)[N@H+](C)Cc1ccns1 ZINC000637901903 351771135 /nfs/dbraw/zinc/77/11/35/351771135.db2.gz IZENGMJIQXPCKA-LBPRGKRZSA-N 0 0 246.379 3.645 20 0 BHADRN CCc1ccccc1N[C@@H](C)[C@H]1CC1(F)F ZINC000638186041 352050932 /nfs/dbraw/zinc/05/09/32/352050932.db2.gz JPTQOWKJWPTZSP-GXSJLCMTSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1ccccc1N[C@H](C)[C@@H]1CC1(F)F ZINC000638186042 352051221 /nfs/dbraw/zinc/05/12/21/352051221.db2.gz JPTQOWKJWPTZSP-KOLCDFICSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1ccccc1N[C@H](C)[C@H]1CC1(F)F ZINC000638186043 352051211 /nfs/dbraw/zinc/05/12/11/352051211.db2.gz JPTQOWKJWPTZSP-MWLCHTKSSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1ccccc1N[C@@H](C)[C@@H]1CC1(F)F ZINC000638186044 352051278 /nfs/dbraw/zinc/05/12/78/352051278.db2.gz JPTQOWKJWPTZSP-ONGXEEELSA-N 0 0 225.282 3.705 20 0 BHADRN Cc1ccc(Cl)cc1NCCC[C@@H]1CCO1 ZINC000638186080 352051119 /nfs/dbraw/zinc/05/11/19/352051119.db2.gz KLPKKSONLDEKCG-GFCCVEGCSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1ccc(Cl)cc1NCCC[C@H]1CCO1 ZINC000638186081 352051130 /nfs/dbraw/zinc/05/11/30/352051130.db2.gz KLPKKSONLDEKCG-LBPRGKRZSA-N 0 0 239.746 3.629 20 0 BHADRN CCCc1ccccc1NCCC[C@H]1CCO1 ZINC000638186425 352050150 /nfs/dbraw/zinc/05/01/50/352050150.db2.gz TWTKCTCYFQFVLI-AWEZNQCLSA-N 0 0 233.355 3.620 20 0 BHADRN CCCc1ccccc1NCCC[C@@H]1CCO1 ZINC000638186426 352050205 /nfs/dbraw/zinc/05/02/05/352050205.db2.gz TWTKCTCYFQFVLI-CQSZACIVSA-N 0 0 233.355 3.620 20 0 BHADRN Cc1cccc(N[C@H](C)[C@H]2CC2(F)F)c1C ZINC000638186446 352050888 /nfs/dbraw/zinc/05/08/88/352050888.db2.gz UCUMUSLZHQVCFG-GHMZBOCLSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1cccc(N[C@H](C)[C@@H]2CC2(F)F)c1C ZINC000638186447 352051277 /nfs/dbraw/zinc/05/12/77/352051277.db2.gz UCUMUSLZHQVCFG-MNOVXSKESA-N 0 0 225.282 3.759 20 0 BHADRN Cc1cccc(N[C@@H](C)[C@@H]2CC2(F)F)c1C ZINC000638186448 352050884 /nfs/dbraw/zinc/05/08/84/352050884.db2.gz UCUMUSLZHQVCFG-QWRGUYRKSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1cccc(N[C@@H](C)[C@H]2CC2(F)F)c1C ZINC000638186449 352050775 /nfs/dbraw/zinc/05/07/75/352050775.db2.gz UCUMUSLZHQVCFG-WDEREUQCSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1cc(C)cc(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638187067 352054603 /nfs/dbraw/zinc/05/46/03/352054603.db2.gz ABXKIFHBWVOATR-CMPLNLGQSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1cc(C)cc(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638187069 352054697 /nfs/dbraw/zinc/05/46/97/352054697.db2.gz ABXKIFHBWVOATR-JQWIXIFHSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1cc(C)cc(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638187070 352054867 /nfs/dbraw/zinc/05/48/67/352054867.db2.gz ABXKIFHBWVOATR-PWSUYJOCSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1cc(C)cc(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000638187078 352055001 /nfs/dbraw/zinc/05/50/01/352055001.db2.gz ABXKIFHBWVOATR-ZYHUDNBSSA-N 0 0 225.282 3.759 20 0 BHADRN CC(C)c1cccc(NCCC[C@H]2CCO2)c1 ZINC000638187132 352055036 /nfs/dbraw/zinc/05/50/36/352055036.db2.gz BYSDLNKYHWXZKR-HNNXBMFYSA-N 0 0 233.355 3.791 20 0 BHADRN CC(C)c1cccc(NCCC[C@@H]2CCO2)c1 ZINC000638187134 352054985 /nfs/dbraw/zinc/05/49/85/352054985.db2.gz BYSDLNKYHWXZKR-OAHLLOKOSA-N 0 0 233.355 3.791 20 0 BHADRN CCCCc1ccc(NCc2ncc(C)o2)cc1 ZINC000638187145 352054702 /nfs/dbraw/zinc/05/47/02/352054702.db2.gz CKOIEPJGIDICGV-UHFFFAOYSA-N 0 0 244.338 3.938 20 0 BHADRN Cc1ccc(NCCC[C@@H]2CCO2)cc1Cl ZINC000638187241 352054766 /nfs/dbraw/zinc/05/47/66/352054766.db2.gz FBFDLWUDAKFSBS-GFCCVEGCSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1ccc(NCCC[C@H]2CCO2)cc1Cl ZINC000638187242 352054869 /nfs/dbraw/zinc/05/48/69/352054869.db2.gz FBFDLWUDAKFSBS-LBPRGKRZSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1ccc(N[C@H](C)[C@H]2CC2(F)F)cc1F ZINC000638187362 352052616 /nfs/dbraw/zinc/05/26/16/352052616.db2.gz HKZZOZHJYRBYDV-PSASIEDQSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@H]2CC2(F)F)cc1F ZINC000638187372 352052534 /nfs/dbraw/zinc/05/25/34/352052534.db2.gz HKZZOZHJYRBYDV-SCZZXKLOSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@H]2CC2(F)F)cc1F ZINC000638187374 352052646 /nfs/dbraw/zinc/05/26/46/352052646.db2.gz HKZZOZHJYRBYDV-WCBMZHEXSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)cc1F ZINC000638187375 352052842 /nfs/dbraw/zinc/05/28/42/352052842.db2.gz HKZZOZHJYRBYDV-WPRPVWTQSA-N 0 0 229.245 3.590 20 0 BHADRN CC(C)c1ccc(NCCC[C@H]2CCO2)cc1 ZINC000638187842 352052699 /nfs/dbraw/zinc/05/26/99/352052699.db2.gz MHBMTWGLXJXYHC-HNNXBMFYSA-N 0 0 233.355 3.791 20 0 BHADRN CC(C)c1ccc(NCCC[C@@H]2CCO2)cc1 ZINC000638187843 352052905 /nfs/dbraw/zinc/05/29/05/352052905.db2.gz MHBMTWGLXJXYHC-OAHLLOKOSA-N 0 0 233.355 3.791 20 0 BHADRN Cc1cnc(CNc2cccc(C(C)C)c2)o1 ZINC000638187851 352052628 /nfs/dbraw/zinc/05/26/28/352052628.db2.gz MIHTZJWTNTUGRV-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN CCc1ccc(N[C@H](C)[C@H]2CC2(F)F)cc1 ZINC000638187981 352053574 /nfs/dbraw/zinc/05/35/74/352053574.db2.gz OADDQFOTHFPAJS-BXKDBHETSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)cc1 ZINC000638187984 352053448 /nfs/dbraw/zinc/05/34/48/352053448.db2.gz OADDQFOTHFPAJS-CABZTGNLSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@H]2CC2(F)F)cc1 ZINC000638187986 352053322 /nfs/dbraw/zinc/05/33/22/352053322.db2.gz OADDQFOTHFPAJS-JOYOIKCWSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1ccc(N[C@H](C)[C@@H]2CC2(F)F)cc1 ZINC000638187987 352053720 /nfs/dbraw/zinc/05/37/20/352053720.db2.gz OADDQFOTHFPAJS-SKDRFNHKSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1cccc(NCc2cc(C3CC3)no2)c1 ZINC000638188242 352053724 /nfs/dbraw/zinc/05/37/24/352053724.db2.gz RQVUXKKSVIDLAF-UHFFFAOYSA-N 0 0 242.322 3.727 20 0 BHADRN CSc1ccc(N[C@@H](C)[C@H]2CC2(F)F)cc1 ZINC000638188309 352053267 /nfs/dbraw/zinc/05/32/67/352053267.db2.gz UBRPRCYAPBGXCV-GZMMTYOYSA-N 0 0 243.322 3.864 20 0 BHADRN CSc1ccc(N[C@H](C)[C@@H]2CC2(F)F)cc1 ZINC000638188320 352053609 /nfs/dbraw/zinc/05/36/09/352053609.db2.gz UBRPRCYAPBGXCV-KCJUWKMLSA-N 0 0 243.322 3.864 20 0 BHADRN CSc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)cc1 ZINC000638188321 352053400 /nfs/dbraw/zinc/05/34/00/352053400.db2.gz UBRPRCYAPBGXCV-KWQFWETISA-N 0 0 243.322 3.864 20 0 BHADRN CSc1ccc(N[C@H](C)[C@H]2CC2(F)F)cc1 ZINC000638188322 352053286 /nfs/dbraw/zinc/05/32/86/352053286.db2.gz UBRPRCYAPBGXCV-LDYMZIIASA-N 0 0 243.322 3.864 20 0 BHADRN CCc1cccc(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000638188328 352053678 /nfs/dbraw/zinc/05/36/78/352053678.db2.gz UJMJQAWRQRMQEO-BXKDBHETSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1cccc(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638188330 352053603 /nfs/dbraw/zinc/05/36/03/352053603.db2.gz UJMJQAWRQRMQEO-CABZTGNLSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1cccc(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638188331 352053443 /nfs/dbraw/zinc/05/34/43/352053443.db2.gz UJMJQAWRQRMQEO-JOYOIKCWSA-N 0 0 225.282 3.705 20 0 BHADRN CCc1cccc(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638188333 352053728 /nfs/dbraw/zinc/05/37/28/352053728.db2.gz UJMJQAWRQRMQEO-SKDRFNHKSA-N 0 0 225.282 3.705 20 0 BHADRN CSc1cccc(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638188471 352053243 /nfs/dbraw/zinc/05/32/43/352053243.db2.gz VHLKJZZHQUPOTG-GZMMTYOYSA-N 0 0 243.322 3.864 20 0 BHADRN CSc1cccc(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638188473 352053305 /nfs/dbraw/zinc/05/33/05/352053305.db2.gz VHLKJZZHQUPOTG-KCJUWKMLSA-N 0 0 243.322 3.864 20 0 BHADRN CSc1cccc(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638188475 352053698 /nfs/dbraw/zinc/05/36/98/352053698.db2.gz VHLKJZZHQUPOTG-KWQFWETISA-N 0 0 243.322 3.864 20 0 BHADRN CSc1cccc(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000638188476 352053269 /nfs/dbraw/zinc/05/32/69/352053269.db2.gz VHLKJZZHQUPOTG-LDYMZIIASA-N 0 0 243.322 3.864 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@H]2CC2(F)F)cc1C ZINC000638188497 352053235 /nfs/dbraw/zinc/05/32/35/352053235.db2.gz VVBJEHFBXMZBRV-CMPLNLGQSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)cc1C ZINC000638188499 352053308 /nfs/dbraw/zinc/05/33/08/352053308.db2.gz VVBJEHFBXMZBRV-JQWIXIFHSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@H]2CC2(F)F)cc1C ZINC000638188501 352053432 /nfs/dbraw/zinc/05/34/32/352053432.db2.gz VVBJEHFBXMZBRV-PWSUYJOCSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccc(N[C@H](C)[C@H]2CC2(F)F)cc1C ZINC000638188502 352053289 /nfs/dbraw/zinc/05/32/89/352053289.db2.gz VVBJEHFBXMZBRV-ZYHUDNBSSA-N 0 0 225.282 3.759 20 0 BHADRN CCOc1cccc(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000638189145 352054121 /nfs/dbraw/zinc/05/41/21/352054121.db2.gz QBQUQHIXMDHHNB-BXKDBHETSA-N 0 0 241.281 3.541 20 0 BHADRN CCOc1cccc(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638189146 352054110 /nfs/dbraw/zinc/05/41/10/352054110.db2.gz QBQUQHIXMDHHNB-CABZTGNLSA-N 0 0 241.281 3.541 20 0 BHADRN CCOc1cccc(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638189147 352054050 /nfs/dbraw/zinc/05/40/50/352054050.db2.gz QBQUQHIXMDHHNB-JOYOIKCWSA-N 0 0 241.281 3.541 20 0 BHADRN CCOc1cccc(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638189148 352054104 /nfs/dbraw/zinc/05/41/04/352054104.db2.gz QBQUQHIXMDHHNB-SKDRFNHKSA-N 0 0 241.281 3.541 20 0 BHADRN CCOc1ccccc1N[C@H](C)[C@H]1CC1(F)F ZINC000638195507 352058409 /nfs/dbraw/zinc/05/84/09/352058409.db2.gz ZCVKGNQQMZQGGD-NXEZZACHSA-N 0 0 241.281 3.541 20 0 BHADRN CCOc1ccccc1N[C@@H](C)[C@@H]1CC1(F)F ZINC000638195508 352058017 /nfs/dbraw/zinc/05/80/17/352058017.db2.gz ZCVKGNQQMZQGGD-UWVGGRQHSA-N 0 0 241.281 3.541 20 0 BHADRN CCOc1ccccc1N[C@@H](C)[C@H]1CC1(F)F ZINC000638195509 352058202 /nfs/dbraw/zinc/05/82/02/352058202.db2.gz ZCVKGNQQMZQGGD-VHSXEESVSA-N 0 0 241.281 3.541 20 0 BHADRN CCOc1ccccc1N[C@H](C)[C@@H]1CC1(F)F ZINC000638195510 352058292 /nfs/dbraw/zinc/05/82/92/352058292.db2.gz ZCVKGNQQMZQGGD-ZJUUUORDSA-N 0 0 241.281 3.541 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)[C@H]1CC1(F)F ZINC000638195521 352058287 /nfs/dbraw/zinc/05/82/87/352058287.db2.gz ZWJJTFJMLVNGSN-GMSGAONNSA-N 0 0 231.673 3.796 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)[C@H]1CC1(F)F ZINC000638195522 352058024 /nfs/dbraw/zinc/05/80/24/352058024.db2.gz ZWJJTFJMLVNGSN-OIBJUYFYSA-N 0 0 231.673 3.796 20 0 BHADRN C[C@@H](Nc1cccc(Cl)c1)[C@@H]1CC1(F)F ZINC000638195524 352057954 /nfs/dbraw/zinc/05/79/54/352057954.db2.gz ZWJJTFJMLVNGSN-XCBNKYQSSA-N 0 0 231.673 3.796 20 0 BHADRN C[C@H](Nc1cccc(Cl)c1)[C@@H]1CC1(F)F ZINC000638195526 352058327 /nfs/dbraw/zinc/05/83/27/352058327.db2.gz ZWJJTFJMLVNGSN-XVKPBYJWSA-N 0 0 231.673 3.796 20 0 BHADRN Cc1cc(Cl)ccc1NCCC[C@@H]1CCO1 ZINC000638204767 352067282 /nfs/dbraw/zinc/06/72/82/352067282.db2.gz FFNVYJROBRSZAE-GFCCVEGCSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1cc(Cl)ccc1NCCC[C@H]1CCO1 ZINC000638204768 352067639 /nfs/dbraw/zinc/06/76/39/352067639.db2.gz FFNVYJROBRSZAE-LBPRGKRZSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1cc(N[C@H](C)[C@H]2CC2(F)F)ccc1F ZINC000638205373 352067323 /nfs/dbraw/zinc/06/73/23/352067323.db2.gz PNYAWKHKXMNFSV-PSASIEDQSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cc(N[C@H](C)[C@@H]2CC2(F)F)ccc1F ZINC000638205374 352067211 /nfs/dbraw/zinc/06/72/11/352067211.db2.gz PNYAWKHKXMNFSV-SCZZXKLOSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cc(N[C@@H](C)[C@H]2CC2(F)F)ccc1F ZINC000638205375 352067218 /nfs/dbraw/zinc/06/72/18/352067218.db2.gz PNYAWKHKXMNFSV-WCBMZHEXSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cc(N[C@@H](C)[C@@H]2CC2(F)F)ccc1F ZINC000638205376 352067239 /nfs/dbraw/zinc/06/72/39/352067239.db2.gz PNYAWKHKXMNFSV-WPRPVWTQSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@H]2CC2(F)F)c(F)c1 ZINC000638207989 352070709 /nfs/dbraw/zinc/07/07/09/352070709.db2.gz REENZQPXTWOPEX-BDAKNGLRSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@H]2CC2(F)F)c(F)c1 ZINC000638207991 352070541 /nfs/dbraw/zinc/07/05/41/352070541.db2.gz REENZQPXTWOPEX-DTWKUNHWSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)c(F)c1 ZINC000638207993 352070666 /nfs/dbraw/zinc/07/06/66/352070666.db2.gz REENZQPXTWOPEX-IUCAKERBSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(N[C@H](C)[C@H]2CC2(F)F)c(F)c1 ZINC000638207995 352070662 /nfs/dbraw/zinc/07/06/62/352070662.db2.gz REENZQPXTWOPEX-RKDXNWHRSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(N[C@H](C)[C@H]2CC2(F)F)c(C)c1 ZINC000638209512 352072370 /nfs/dbraw/zinc/07/23/70/352072370.db2.gz KMVFERUAEKVDIC-GHMZBOCLSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccc(N[C@H](C)[C@@H]2CC2(F)F)c(C)c1 ZINC000638209515 352072196 /nfs/dbraw/zinc/07/21/96/352072196.db2.gz KMVFERUAEKVDIC-MNOVXSKESA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)c(C)c1 ZINC000638209520 352072156 /nfs/dbraw/zinc/07/21/56/352072156.db2.gz KMVFERUAEKVDIC-QWRGUYRKSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccc(N[C@@H](C)[C@H]2CC2(F)F)c(C)c1 ZINC000638209524 352072340 /nfs/dbraw/zinc/07/23/40/352072340.db2.gz KMVFERUAEKVDIC-WDEREUQCSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)[C@H]1CC1(F)F ZINC000638211044 352077078 /nfs/dbraw/zinc/07/70/78/352077078.db2.gz OUIQNSUIFFCAEO-PSASIEDQSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)[C@@H]1CC1(F)F ZINC000638211045 352077009 /nfs/dbraw/zinc/07/70/09/352077009.db2.gz OUIQNSUIFFCAEO-SCZZXKLOSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)[C@H]1CC1(F)F ZINC000638211046 352076989 /nfs/dbraw/zinc/07/69/89/352076989.db2.gz OUIQNSUIFFCAEO-WCBMZHEXSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)[C@@H]1CC1(F)F ZINC000638211047 352076922 /nfs/dbraw/zinc/07/69/22/352076922.db2.gz OUIQNSUIFFCAEO-WPRPVWTQSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000638213498 352075908 /nfs/dbraw/zinc/07/59/08/352075908.db2.gz COIPWSZLOUJJLS-GHMZBOCLSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638213499 352075595 /nfs/dbraw/zinc/07/55/95/352075595.db2.gz COIPWSZLOUJJLS-MNOVXSKESA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638213500 352075809 /nfs/dbraw/zinc/07/58/09/352075809.db2.gz COIPWSZLOUJJLS-QWRGUYRKSA-N 0 0 225.282 3.759 20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638213501 352075685 /nfs/dbraw/zinc/07/56/85/352075685.db2.gz COIPWSZLOUJJLS-WDEREUQCSA-N 0 0 225.282 3.759 20 0 BHADRN CSc1ccccc1N[C@H](C)[C@@H]1CC1(F)F ZINC000638213916 352075950 /nfs/dbraw/zinc/07/59/50/352075950.db2.gz KRQRLKXPWTWALA-BDAKNGLRSA-N 0 0 243.322 3.864 20 0 BHADRN CSc1ccccc1N[C@@H](C)[C@H]1CC1(F)F ZINC000638213917 352075930 /nfs/dbraw/zinc/07/59/30/352075930.db2.gz KRQRLKXPWTWALA-DTWKUNHWSA-N 0 0 243.322 3.864 20 0 BHADRN CSc1ccccc1N[C@@H](C)[C@@H]1CC1(F)F ZINC000638213919 352075855 /nfs/dbraw/zinc/07/58/55/352075855.db2.gz KRQRLKXPWTWALA-IUCAKERBSA-N 0 0 243.322 3.864 20 0 BHADRN CSc1ccccc1N[C@H](C)[C@H]1CC1(F)F ZINC000638213920 352075736 /nfs/dbraw/zinc/07/57/36/352075736.db2.gz KRQRLKXPWTWALA-RKDXNWHRSA-N 0 0 243.322 3.864 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)[C@H]1CC1(F)F ZINC000638213947 352075649 /nfs/dbraw/zinc/07/56/49/352075649.db2.gz LCJCNAJSKUAWQM-PSASIEDQSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)[C@@H]1CC1(F)F ZINC000638213948 352075927 /nfs/dbraw/zinc/07/59/27/352075927.db2.gz LCJCNAJSKUAWQM-SCZZXKLOSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)[C@H]1CC1(F)F ZINC000638213949 352075782 /nfs/dbraw/zinc/07/57/82/352075782.db2.gz LCJCNAJSKUAWQM-WCBMZHEXSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)[C@@H]1CC1(F)F ZINC000638213950 352075785 /nfs/dbraw/zinc/07/57/85/352075785.db2.gz LCJCNAJSKUAWQM-WPRPVWTQSA-N 0 0 229.245 3.590 20 0 BHADRN C[C@@H](Nc1ccccc1Cl)[C@H]1CC1(F)F ZINC000638214187 352076440 /nfs/dbraw/zinc/07/64/40/352076440.db2.gz QJNIYWLNOFORIE-HTQZYQBOSA-N 0 0 231.673 3.796 20 0 BHADRN C[C@H](Nc1ccccc1Cl)[C@H]1CC1(F)F ZINC000638214188 352076205 /nfs/dbraw/zinc/07/62/05/352076205.db2.gz QJNIYWLNOFORIE-JGVFFNPUSA-N 0 0 231.673 3.796 20 0 BHADRN C[C@@H](Nc1ccccc1Cl)[C@@H]1CC1(F)F ZINC000638214189 352076511 /nfs/dbraw/zinc/07/65/11/352076511.db2.gz QJNIYWLNOFORIE-SFYZADRCSA-N 0 0 231.673 3.796 20 0 BHADRN C[C@H](Nc1ccccc1Cl)[C@@H]1CC1(F)F ZINC000638214190 352076255 /nfs/dbraw/zinc/07/62/55/352076255.db2.gz QJNIYWLNOFORIE-YUMQZZPRSA-N 0 0 231.673 3.796 20 0 BHADRN Cc1c(Cl)cccc1NCCC[C@@H]1CCO1 ZINC000638214399 352076291 /nfs/dbraw/zinc/07/62/91/352076291.db2.gz UVGZFONYZIINNL-LLVKDONJSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1c(Cl)cccc1NCCC[C@H]1CCO1 ZINC000638214400 352076501 /nfs/dbraw/zinc/07/65/01/352076501.db2.gz UVGZFONYZIINNL-NSHDSACASA-N 0 0 239.746 3.629 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638218176 352077824 /nfs/dbraw/zinc/07/78/24/352077824.db2.gz DRFXOBNIMAXOMF-GZMMTYOYSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638218178 352077678 /nfs/dbraw/zinc/07/76/78/352077678.db2.gz DRFXOBNIMAXOMF-KCJUWKMLSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638218179 352077428 /nfs/dbraw/zinc/07/74/28/352077428.db2.gz DRFXOBNIMAXOMF-KWQFWETISA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000638218181 352077644 /nfs/dbraw/zinc/07/76/44/352077644.db2.gz DRFXOBNIMAXOMF-LDYMZIIASA-N 0 0 229.245 3.590 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)[C@@H]1CC1(F)F ZINC000638220923 352079955 /nfs/dbraw/zinc/07/99/55/352079955.db2.gz CKJSPEMEQCIRTE-BDAKNGLRSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)[C@H]1CC1(F)F ZINC000638220924 352080006 /nfs/dbraw/zinc/08/00/06/352080006.db2.gz CKJSPEMEQCIRTE-DTWKUNHWSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)[C@@H]1CC1(F)F ZINC000638220925 352080012 /nfs/dbraw/zinc/08/00/12/352080012.db2.gz CKJSPEMEQCIRTE-IUCAKERBSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)[C@H]1CC1(F)F ZINC000638220926 352080035 /nfs/dbraw/zinc/08/00/35/352080035.db2.gz CKJSPEMEQCIRTE-RKDXNWHRSA-N 0 0 229.245 3.590 20 0 BHADRN FC(F)c1cccc(NCCC[C@@H]2CCO2)c1 ZINC000638245197 352092528 /nfs/dbraw/zinc/09/25/28/352092528.db2.gz AQYMYLMRJSPLNX-GFCCVEGCSA-N 0 0 241.281 3.605 20 0 BHADRN FC(F)c1cccc(NCCC[C@H]2CCO2)c1 ZINC000638245198 352092328 /nfs/dbraw/zinc/09/23/28/352092328.db2.gz AQYMYLMRJSPLNX-LBPRGKRZSA-N 0 0 241.281 3.605 20 0 BHADRN Cc1ccc(Cl)c(NCCC[C@@H]2CCO2)c1 ZINC000638269776 352107525 /nfs/dbraw/zinc/10/75/25/352107525.db2.gz AAEWJQPYGIMPON-LLVKDONJSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1ccc(Cl)c(NCCC[C@H]2CCO2)c1 ZINC000638269777 352107220 /nfs/dbraw/zinc/10/72/20/352107220.db2.gz AAEWJQPYGIMPON-NSHDSACASA-N 0 0 239.746 3.629 20 0 BHADRN Cc1ccc(NCCC[C@@H]2CCO2)c(Cl)c1 ZINC000638269810 352107509 /nfs/dbraw/zinc/10/75/09/352107509.db2.gz AVYRXZOXYSQRKM-LLVKDONJSA-N 0 0 239.746 3.629 20 0 BHADRN Cc1ccc(NCCC[C@H]2CCO2)c(Cl)c1 ZINC000638269811 352107274 /nfs/dbraw/zinc/10/72/74/352107274.db2.gz AVYRXZOXYSQRKM-NSHDSACASA-N 0 0 239.746 3.629 20 0 BHADRN Cc1cccc(N[C@H](C)[C@@H]2CC2(F)F)c1F ZINC000638274008 352111445 /nfs/dbraw/zinc/11/14/45/352111445.db2.gz GCRZEQWALVCEIR-BDAKNGLRSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cccc(N[C@@H](C)[C@H]2CC2(F)F)c1F ZINC000638274009 352111858 /nfs/dbraw/zinc/11/18/58/352111858.db2.gz GCRZEQWALVCEIR-DTWKUNHWSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cccc(N[C@@H](C)[C@@H]2CC2(F)F)c1F ZINC000638274010 352111439 /nfs/dbraw/zinc/11/14/39/352111439.db2.gz GCRZEQWALVCEIR-IUCAKERBSA-N 0 0 229.245 3.590 20 0 BHADRN Cc1cccc(N[C@H](C)[C@H]2CC2(F)F)c1F ZINC000638274011 352111630 /nfs/dbraw/zinc/11/16/30/352111630.db2.gz GCRZEQWALVCEIR-RKDXNWHRSA-N 0 0 229.245 3.590 20 0 BHADRN c1c(C[NH2+]CCC2=CCCCC2)onc1C1CC1 ZINC000638318603 352141454 /nfs/dbraw/zinc/14/14/54/352141454.db2.gz QSJZUBQAYHGRFG-UHFFFAOYSA-N 0 0 246.354 3.532 20 0 BHADRN C[C@H](Nc1cccc2cccnc21)[C@H]1CC1(F)F ZINC000638393744 352199568 /nfs/dbraw/zinc/19/95/68/352199568.db2.gz VSPBLUYPXBIVRT-GXSJLCMTSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@@H](Nc1cccc2cccnc21)[C@@H]1CC1(F)F ZINC000638393745 352199618 /nfs/dbraw/zinc/19/96/18/352199618.db2.gz VSPBLUYPXBIVRT-KOLCDFICSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@@H](Nc1cccc2cccnc21)[C@H]1CC1(F)F ZINC000638393746 352199858 /nfs/dbraw/zinc/19/98/58/352199858.db2.gz VSPBLUYPXBIVRT-MWLCHTKSSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@H](Nc1cccc2cccnc21)[C@@H]1CC1(F)F ZINC000638393847 352199767 /nfs/dbraw/zinc/19/97/67/352199767.db2.gz VSPBLUYPXBIVRT-ONGXEEELSA-N 0 0 248.276 3.690 20 0 BHADRN c1cc2c(c(NCCC[C@H]3CCO3)c1)CCCC2 ZINC000638394518 352200984 /nfs/dbraw/zinc/20/09/84/352200984.db2.gz DFGJMYNKNLDHMU-AWEZNQCLSA-N 0 0 245.366 3.546 20 0 BHADRN c1cc2c(c(NCCC[C@@H]3CCO3)c1)CCCC2 ZINC000638394519 352200808 /nfs/dbraw/zinc/20/08/08/352200808.db2.gz DFGJMYNKNLDHMU-CQSZACIVSA-N 0 0 245.366 3.546 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCC2)[C@H]1CC1(F)F ZINC000638395098 352199643 /nfs/dbraw/zinc/19/96/43/352199643.db2.gz QWQLKIBRYLQJJU-NOZJJQNGSA-N 0 0 237.293 3.631 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCC2)[C@@H]1CC1(F)F ZINC000638395099 352200126 /nfs/dbraw/zinc/20/01/26/352200126.db2.gz QWQLKIBRYLQJJU-RNCFNFMXSA-N 0 0 237.293 3.631 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCC2)[C@H]1CC1(F)F ZINC000638395100 352199635 /nfs/dbraw/zinc/19/96/35/352199635.db2.gz QWQLKIBRYLQJJU-TVQRCGJNSA-N 0 0 237.293 3.631 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCC2)[C@@H]1CC1(F)F ZINC000638395101 352200072 /nfs/dbraw/zinc/20/00/72/352200072.db2.gz QWQLKIBRYLQJJU-ZANVPECISA-N 0 0 237.293 3.631 20 0 BHADRN Cc1c(N)cccc1NC(=O)C[C@H](C)CC(C)C ZINC000638523833 386857244 /nfs/dbraw/zinc/85/72/44/386857244.db2.gz JGNHYIJALNGSIU-LLVKDONJSA-N 0 0 248.370 3.588 20 0 BHADRN Cc1c(N)cccc1NC(=O)C[C@@H](C)CC(C)C ZINC000638523834 386855770 /nfs/dbraw/zinc/85/57/70/386855770.db2.gz JGNHYIJALNGSIU-NSHDSACASA-N 0 0 248.370 3.588 20 0 BHADRN CC[C@H](CC(=O)Nc1cccc(N)c1C)C(C)C ZINC000638523861 386856856 /nfs/dbraw/zinc/85/68/56/386856856.db2.gz JPHDGWBZEBRWSF-GFCCVEGCSA-N 0 0 248.370 3.588 20 0 BHADRN CC[C@@H](CC(=O)Nc1cccc(N)c1C)C(C)C ZINC000638523862 386855990 /nfs/dbraw/zinc/85/59/90/386855990.db2.gz JPHDGWBZEBRWSF-LBPRGKRZSA-N 0 0 248.370 3.588 20 0 BHADRN Cc1c(N)cccc1NC(=O)CCCC(C)(C)C ZINC000638524711 352358773 /nfs/dbraw/zinc/35/87/73/352358773.db2.gz RXYNENCCPYYYRM-UHFFFAOYSA-N 0 0 248.370 3.732 20 0 BHADRN CCC(CC)[C@H](C)C(=O)Nc1cccc(N)c1C ZINC000638526484 352360470 /nfs/dbraw/zinc/36/04/70/352360470.db2.gz IXRKYUINWFBBLH-JTQLQIEISA-N 0 0 248.370 3.588 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)Nc1cccc(N)c1C ZINC000638526486 352360496 /nfs/dbraw/zinc/36/04/96/352360496.db2.gz IXRKYUINWFBBLH-SNVBAGLBSA-N 0 0 248.370 3.588 20 0 BHADRN CCC[C@@H](C(=O)Nc1cccc(N)c1C)C(C)C ZINC000638527662 352361261 /nfs/dbraw/zinc/36/12/61/352361261.db2.gz XKAJQZZDXYGFAJ-GFCCVEGCSA-N 0 0 248.370 3.588 20 0 BHADRN CCC[C@H](C(=O)Nc1cccc(N)c1C)C(C)C ZINC000638527663 352361328 /nfs/dbraw/zinc/36/13/28/352361328.db2.gz XKAJQZZDXYGFAJ-LBPRGKRZSA-N 0 0 248.370 3.588 20 0 BHADRN CNc1ccc(NC(=O)CC2=CCCCC2)cc1 ZINC000638561099 352386356 /nfs/dbraw/zinc/38/63/56/352386356.db2.gz QIFFSOYEQPPNSL-UHFFFAOYSA-N 0 0 244.338 3.557 20 0 BHADRN CCCC1(C(=O)Nc2ccc(NC)cc2)CCC1 ZINC000638562327 352387060 /nfs/dbraw/zinc/38/70/60/352387060.db2.gz BRQBOQYLFRANSM-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CNc1ccc(NC(=O)C(C)(C)CC(C)C)cc1 ZINC000638563153 352386388 /nfs/dbraw/zinc/38/63/88/352386388.db2.gz IGVWHXJOWSFJFS-UHFFFAOYSA-N 0 0 248.370 3.739 20 0 BHADRN CCC1(C(=O)Nc2ccc(NC)cc2)CCCC1 ZINC000638563867 352389439 /nfs/dbraw/zinc/38/94/39/352389439.db2.gz RKHBOSRXOBYIKK-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1ccc(NC)cc1 ZINC000638563952 352389220 /nfs/dbraw/zinc/38/92/20/352389220.db2.gz UKGYXFNSSOVKJZ-UHFFFAOYSA-N 0 0 248.370 3.883 20 0 BHADRN CNc1ccc(NC(=O)C2CCCCCC2)cc1 ZINC000638565628 352390911 /nfs/dbraw/zinc/39/09/11/352390911.db2.gz ULKPEKXXHRAABN-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CCC[C@H](C(=O)Nc1ccc(NC)cc1)C(C)C ZINC000638565717 352391841 /nfs/dbraw/zinc/39/18/41/352391841.db2.gz RRDJGYOCTUZKOL-AWEZNQCLSA-N 0 0 248.370 3.739 20 0 BHADRN CCC[C@@H](C(=O)Nc1ccc(NC)cc1)C(C)C ZINC000638565718 352391600 /nfs/dbraw/zinc/39/16/00/352391600.db2.gz RRDJGYOCTUZKOL-CQSZACIVSA-N 0 0 248.370 3.739 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)Nc1ccc(NC)cc1 ZINC000638566091 352391520 /nfs/dbraw/zinc/39/15/20/352391520.db2.gz ZZOXQKVLLGIUIF-LLVKDONJSA-N 0 0 248.370 3.739 20 0 BHADRN CCC(CC)[C@H](C)C(=O)Nc1ccc(NC)cc1 ZINC000638566092 352391662 /nfs/dbraw/zinc/39/16/62/352391662.db2.gz ZZOXQKVLLGIUIF-NSHDSACASA-N 0 0 248.370 3.739 20 0 BHADRN CNc1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000638566146 352391823 /nfs/dbraw/zinc/39/18/23/352391823.db2.gz BURTVXMYIWWYDF-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CNc1ccc(NC(=O)CC2CCCCC2)cc1 ZINC000638566567 352392558 /nfs/dbraw/zinc/39/25/58/352392558.db2.gz LZXQUHLKTNFWFO-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CC[C@H]1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638667153 352511115 /nfs/dbraw/zinc/51/11/15/352511115.db2.gz SPFCCDFUAAYBQK-AAEUAGOBSA-N 0 0 248.370 3.610 20 0 BHADRN CC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638667154 352511128 /nfs/dbraw/zinc/51/11/28/352511128.db2.gz SPFCCDFUAAYBQK-DGCLKSJQSA-N 0 0 248.370 3.610 20 0 BHADRN CC[C@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638667155 352511026 /nfs/dbraw/zinc/51/10/26/352511026.db2.gz SPFCCDFUAAYBQK-WCQYABFASA-N 0 0 248.370 3.610 20 0 BHADRN CC[C@@H]1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638667156 352510927 /nfs/dbraw/zinc/51/09/27/352510927.db2.gz SPFCCDFUAAYBQK-YPMHNXCESA-N 0 0 248.370 3.610 20 0 BHADRN CCc1ccc(NCCC[C@H]2CCO2)cc1C ZINC000638803361 352976594 /nfs/dbraw/zinc/97/65/94/352976594.db2.gz HLQFXYHBVHKNQM-HNNXBMFYSA-N 0 0 233.355 3.538 20 0 BHADRN CCc1ccc(NCCC[C@@H]2CCO2)cc1C ZINC000638803362 352976922 /nfs/dbraw/zinc/97/69/22/352976922.db2.gz HLQFXYHBVHKNQM-OAHLLOKOSA-N 0 0 233.355 3.538 20 0 BHADRN c1cc(CNc2ccc(C3CC3)cc2)sn1 ZINC000638834065 353015661 /nfs/dbraw/zinc/01/56/61/353015661.db2.gz CZTWUUMGMNCMAD-UHFFFAOYSA-N 0 0 230.336 3.633 20 0 BHADRN c1cc(C2CC2)ccc1NCCC[C@H]1CCO1 ZINC000638834357 353020603 /nfs/dbraw/zinc/02/06/03/353020603.db2.gz FUUSUYNIWMLIRD-HNNXBMFYSA-N 0 0 231.339 3.545 20 0 BHADRN c1cc(C2CC2)ccc1NCCC[C@@H]1CCO1 ZINC000638834362 353020443 /nfs/dbraw/zinc/02/04/43/353020443.db2.gz FUUSUYNIWMLIRD-OAHLLOKOSA-N 0 0 231.339 3.545 20 0 BHADRN Cc1cc(CNc2ccc(C3CC3)cc2)sn1 ZINC000638837063 353022508 /nfs/dbraw/zinc/02/25/08/353022508.db2.gz XPHPCLHGKRDWMB-UHFFFAOYSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1c(NC2CCC(=C3CCC3)CC2)cnn1C ZINC000638855158 353032033 /nfs/dbraw/zinc/03/20/33/353032033.db2.gz WJWPSARRRMWUQI-UHFFFAOYSA-N 0 0 245.370 3.564 20 0 BHADRN C[C@H](Nc1cccc2ncccc21)[C@H]1CC1(F)F ZINC000638881290 353048713 /nfs/dbraw/zinc/04/87/13/353048713.db2.gz JZKOHKLIHOHCKE-GXSJLCMTSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@@H](Nc1cccc2ncccc21)[C@@H]1CC1(F)F ZINC000638881291 353048733 /nfs/dbraw/zinc/04/87/33/353048733.db2.gz JZKOHKLIHOHCKE-KOLCDFICSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@@H](Nc1cccc2ncccc21)[C@H]1CC1(F)F ZINC000638881293 353048749 /nfs/dbraw/zinc/04/87/49/353048749.db2.gz JZKOHKLIHOHCKE-MWLCHTKSSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@H](Nc1cccc2ncccc21)[C@@H]1CC1(F)F ZINC000638881294 353048685 /nfs/dbraw/zinc/04/86/85/353048685.db2.gz JZKOHKLIHOHCKE-ONGXEEELSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@@H](Nc1ccc2ncccc2c1)[C@H]1CC1(F)F ZINC000638881773 353048974 /nfs/dbraw/zinc/04/89/74/353048974.db2.gz OOERQRQWSOJWBW-BXKDBHETSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@H](Nc1ccc2ncccc2c1)[C@@H]1CC1(F)F ZINC000638881774 353048930 /nfs/dbraw/zinc/04/89/30/353048930.db2.gz OOERQRQWSOJWBW-CABZTGNLSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@H](Nc1ccc2ncccc2c1)[C@H]1CC1(F)F ZINC000638881775 353048944 /nfs/dbraw/zinc/04/89/44/353048944.db2.gz OOERQRQWSOJWBW-JOYOIKCWSA-N 0 0 248.276 3.690 20 0 BHADRN 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ZINC000638901540 353063088 /nfs/dbraw/zinc/06/30/88/353063088.db2.gz LEBQUJFAGVCXHT-CABZTGNLSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@H](Nc1cncc2ccccc21)[C@H]1CC1(F)F ZINC000638901541 353063023 /nfs/dbraw/zinc/06/30/23/353063023.db2.gz LEBQUJFAGVCXHT-JOYOIKCWSA-N 0 0 248.276 3.690 20 0 BHADRN C[C@@H](Nc1cncc2ccccc21)[C@@H]1CC1(F)F ZINC000638901542 353063642 /nfs/dbraw/zinc/06/36/42/353063642.db2.gz LEBQUJFAGVCXHT-SKDRFNHKSA-N 0 0 248.276 3.690 20 0 BHADRN CCc1cc(NCCC[C@H]2CCO2)ccc1C ZINC000638911628 353076173 /nfs/dbraw/zinc/07/61/73/353076173.db2.gz VRSYDMZMZJUOMR-HNNXBMFYSA-N 0 0 233.355 3.538 20 0 BHADRN CCc1cc(NCCC[C@@H]2CCO2)ccc1C ZINC000638911629 353076443 /nfs/dbraw/zinc/07/64/43/353076443.db2.gz VRSYDMZMZJUOMR-OAHLLOKOSA-N 0 0 233.355 3.538 20 0 BHADRN c1sc2ccccc2c1NCCC[C@@H]1CCO1 ZINC000638914293 353072581 /nfs/dbraw/zinc/07/25/81/353072581.db2.gz CWINGFAHKDCCOD-LLVKDONJSA-N 0 0 247.363 3.882 20 0 BHADRN c1sc2ccccc2c1NCCC[C@H]1CCO1 ZINC000638914294 353072677 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BHADRN CSc1cc(NCc2ncc(C)o2)ccc1C ZINC000639313313 355685503 /nfs/dbraw/zinc/68/55/03/355685503.db2.gz PZANXWIGPGEBCB-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN c1cc2c(cc1N[C@H]1CCC13CCC3)CCOC2 ZINC000639314879 355705413 /nfs/dbraw/zinc/70/54/13/355705413.db2.gz AJHFHVVFSCPMSQ-HNNXBMFYSA-N 0 0 243.350 3.504 20 0 BHADRN c1cc2c(cc1N[C@@H]1CCC13CCC3)CCOC2 ZINC000639314880 355705611 /nfs/dbraw/zinc/70/56/11/355705611.db2.gz AJHFHVVFSCPMSQ-OAHLLOKOSA-N 0 0 243.350 3.504 20 0 BHADRN Clc1ccc(CN2CC(c3ccccc3)C2)o1 ZINC000639361915 355816578 /nfs/dbraw/zinc/81/65/78/355816578.db2.gz YKAZOFKOWPPDJX-UHFFFAOYSA-N 0 0 247.725 3.532 20 0 BHADRN FCCC1CCN(Cc2ccc(Cl)o2)CC1 ZINC000639381413 355921544 /nfs/dbraw/zinc/92/15/44/355921544.db2.gz OQPJQTIDUFGFII-UHFFFAOYSA-N 0 0 245.725 3.505 20 0 BHADRN Cc1cccc(C(C)C)c1NC(=O)N1CC=CC1 ZINC000639444846 356223088 /nfs/dbraw/zinc/22/30/88/356223088.db2.gz CDJNSBKELKZNFE-UHFFFAOYSA-N 0 0 244.338 3.522 20 0 BHADRN CC[C@H](c1ccncc1)N(C)CC(F)(F)CC ZINC000639551232 356431916 /nfs/dbraw/zinc/43/19/16/356431916.db2.gz ICSVZPURPGPSHM-GFCCVEGCSA-N 0 0 242.313 3.510 20 0 BHADRN CC[C@@H](c1ccncc1)N(C)CC(F)(F)CC ZINC000639551234 356432007 /nfs/dbraw/zinc/43/20/07/356432007.db2.gz ICSVZPURPGPSHM-LBPRGKRZSA-N 0 0 242.313 3.510 20 0 BHADRN CC[C@@H](NCC(F)(F)CC)c1nc(C)cs1 ZINC000639578973 356499833 /nfs/dbraw/zinc/49/98/33/356499833.db2.gz WHKZFRJUVPIDAW-SECBINFHSA-N 0 0 248.342 3.538 20 0 BHADRN CC[C@H](NCC(F)(F)CC)c1nc(C)cs1 ZINC000639578974 356499935 /nfs/dbraw/zinc/49/99/35/356499935.db2.gz WHKZFRJUVPIDAW-VIFPVBQESA-N 0 0 248.342 3.538 20 0 BHADRN CCC(F)(F)CNC(C)(C)c1cccs1 ZINC000639580925 356501787 /nfs/dbraw/zinc/50/17/87/356501787.db2.gz QJGLCEDTJGWXJK-UHFFFAOYSA-N 0 0 233.327 3.618 20 0 BHADRN CCC(F)(F)CN[C@H](CC(F)(F)F)C(C)C ZINC000639603328 356523916 /nfs/dbraw/zinc/52/39/16/356523916.db2.gz NTAIYLCQDSHPGX-MRVPVSSYSA-N 0 0 247.251 3.598 20 0 BHADRN CCC(F)(F)CN[C@@H](CC(F)(F)F)C(C)C ZINC000639603331 356523295 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C[C@@H](NCc1cc2ccccc2s1)C(F)F ZINC000641793599 362735389 /nfs/dbraw/zinc/73/53/89/362735389.db2.gz LGLDJLMTBCDBRD-MRVPVSSYSA-N 0 0 241.306 3.645 20 0 BHADRN C[C@H](NCc1cc2ccccc2s1)C(F)F ZINC000641793600 362735371 /nfs/dbraw/zinc/73/53/71/362735371.db2.gz LGLDJLMTBCDBRD-QMMMGPOBSA-N 0 0 241.306 3.645 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)CC(C)(C)CC ZINC000641836268 362781899 /nfs/dbraw/zinc/78/18/99/362781899.db2.gz SWICQLJVFFLXLB-GFCCVEGCSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)CC(C)(C)CC ZINC000641836269 362781680 /nfs/dbraw/zinc/78/16/80/362781680.db2.gz SWICQLJVFFLXLB-LBPRGKRZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)c1csc(C)c1 ZINC000641842368 362785311 /nfs/dbraw/zinc/78/53/11/362785311.db2.gz IRGSEZISGLBENB-JTQLQIEISA-N 0 0 239.384 3.707 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)c1csc(C)c1 ZINC000641842369 362785069 /nfs/dbraw/zinc/78/50/69/362785069.db2.gz IRGSEZISGLBENB-SNVBAGLBSA-N 0 0 239.384 3.707 20 0 BHADRN CCCCCC(=O)N(C)[C@H](C)CCCC ZINC000641842446 362784972 /nfs/dbraw/zinc/78/49/72/362784972.db2.gz XUOHBXQEPBWYMU-GFCCVEGCSA-N 0 0 213.365 3.604 20 0 BHADRN CCCCCC(=O)N(C)[C@@H](C)CCCC ZINC000641842447 362785060 /nfs/dbraw/zinc/78/50/60/362785060.db2.gz XUOHBXQEPBWYMU-LBPRGKRZSA-N 0 0 213.365 3.604 20 0 BHADRN CCc1cccc(Nc2nc(C)cs2)c1 ZINC000641847608 362786187 /nfs/dbraw/zinc/78/61/87/362786187.db2.gz FBWAOBWRCZFYNC-UHFFFAOYSA-N 0 0 218.325 3.758 20 0 BHADRN Cc1csc(Nc2ccc3c(c2)CCC3)n1 ZINC000641847611 362785926 /nfs/dbraw/zinc/78/59/26/362785926.db2.gz GKVIZFBIGBQWJO-UHFFFAOYSA-N 0 0 230.336 3.684 20 0 BHADRN Cc1cc(C)nc(Oc2ccc(C)c(C)c2)n1 ZINC000641847774 362786374 /nfs/dbraw/zinc/78/63/74/362786374.db2.gz RQHPNSNJWNOXCQ-UHFFFAOYSA-N 0 0 228.295 3.503 20 0 BHADRN CCCCCNc1ncnc2sc(CC)cc21 ZINC000641848065 362785966 /nfs/dbraw/zinc/78/59/66/362785966.db2.gz SMNMKWCMDBQOSS-UHFFFAOYSA-N 0 0 249.383 3.856 20 0 BHADRN CCc1cc2c(ncnc2NC(C)(C)CC)s1 ZINC000641848547 362785983 /nfs/dbraw/zinc/78/59/83/362785983.db2.gz 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20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@H](C)C(C)(C)C ZINC000641850583 362785697 /nfs/dbraw/zinc/78/56/97/362785697.db2.gz AMGPBDZZQYAKHA-RYUDHWBXSA-N 0 0 227.392 3.706 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)[C@@H](C)C(C)(C)C ZINC000641850584 362786128 /nfs/dbraw/zinc/78/61/28/362786128.db2.gz AMGPBDZZQYAKHA-VXGBXAGGSA-N 0 0 227.392 3.706 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)[C@H](C)C1CCCC1 ZINC000641852055 362787353 /nfs/dbraw/zinc/78/73/53/362787353.db2.gz STPVTFUOQZODSG-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)[C@@H](C)C1CCCC1 ZINC000641852056 362787039 /nfs/dbraw/zinc/78/70/39/362787039.db2.gz STPVTFUOQZODSG-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@H](C)C1CCCC1 ZINC000641852057 362786818 /nfs/dbraw/zinc/78/68/18/362786818.db2.gz STPVTFUOQZODSG-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@@H](C)C1CCCC1 ZINC000641852058 362786970 /nfs/dbraw/zinc/78/69/70/362786970.db2.gz STPVTFUOQZODSG-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)CCC1CCCC1 ZINC000641852059 362786801 /nfs/dbraw/zinc/78/68/01/362786801.db2.gz SVAMRSNEGMYXPS-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)CCC1CCCC1 ZINC000641852060 362787084 /nfs/dbraw/zinc/78/70/84/362787084.db2.gz SVAMRSNEGMYXPS-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000641852065 362787255 /nfs/dbraw/zinc/78/72/55/362787255.db2.gz UKRQFSCEURMZHI-HZSPNIEDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000641852066 362787289 /nfs/dbraw/zinc/78/72/89/362787289.db2.gz UKRQFSCEURMZHI-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000641852067 362786983 /nfs/dbraw/zinc/78/69/83/362786983.db2.gz UKRQFSCEURMZHI-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000641852068 362786679 /nfs/dbraw/zinc/78/66/79/362786679.db2.gz UKRQFSCEURMZHI-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)C(C)(CC)CC ZINC000641853152 362786977 /nfs/dbraw/zinc/78/69/77/362786977.db2.gz DSZDYVJGVUTDOG-GFCCVEGCSA-N 0 0 227.392 3.850 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C(C)(CC)CC ZINC000641853153 362787358 /nfs/dbraw/zinc/78/73/58/362787358.db2.gz DSZDYVJGVUTDOG-LBPRGKRZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCCNC(=O)N[C@@H](C)c1ccccc1C ZINC000641855317 362787993 /nfs/dbraw/zinc/78/79/93/362787993.db2.gz VLRKOMLJSIHNCD-ZDUSSCGKSA-N 0 0 248.370 3.545 20 0 BHADRN Fc1ccc(SCCC(F)(F)F)cc1 ZINC000641878959 362796971 /nfs/dbraw/zinc/79/69/71/362796971.db2.gz UVAKPNIXHAKPPL-UHFFFAOYSA-N 0 0 224.222 3.870 20 0 BHADRN Fc1ccccc1SCCC(F)(F)F ZINC000641879326 362796926 /nfs/dbraw/zinc/79/69/26/362796926.db2.gz WNDUDLUSONTUHX-UHFFFAOYSA-N 0 0 224.222 3.870 20 0 BHADRN CC(C)CCSc1ccc2c(c1)OCCO2 ZINC000641881307 362797568 /nfs/dbraw/zinc/79/75/68/362797568.db2.gz NTDRTMZJBHZVLO-UHFFFAOYSA-N 0 0 238.352 3.596 20 0 BHADRN CC(C)COc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000641883123 362798129 /nfs/dbraw/zinc/79/81/29/362798129.db2.gz NICKHHOLOITLCC-SECBINFHSA-N 0 0 236.286 3.550 20 0 BHADRN CC(C)COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000641883124 362798478 /nfs/dbraw/zinc/79/84/78/362798478.db2.gz NICKHHOLOITLCC-VIFPVBQESA-N 0 0 236.286 3.550 20 0 BHADRN CCCCOc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000641883138 362798346 /nfs/dbraw/zinc/79/83/46/362798346.db2.gz TUKHWQBNNXTCPV-SECBINFHSA-N 0 0 236.286 3.695 20 0 BHADRN CCCCOc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000641883139 362798225 /nfs/dbraw/zinc/79/82/25/362798225.db2.gz TUKHWQBNNXTCPV-VIFPVBQESA-N 0 0 236.286 3.695 20 0 BHADRN CC(C)CSc1nc(-c2ccccc2)c[nH]1 ZINC000641883454 362798054 /nfs/dbraw/zinc/79/80/54/362798054.db2.gz TVXLONXVTGRSHB-UHFFFAOYSA-N 0 0 232.352 3.825 20 0 BHADRN O=C1CCCCC[C@H]1Sc1ccc(F)cc1 ZINC000641887603 362798071 /nfs/dbraw/zinc/79/80/71/362798071.db2.gz DTBVJCWTMSKIDJ-CYBMUJFWSA-N 0 0 238.327 3.820 20 0 BHADRN O=C1CCCCC[C@@H]1Sc1ccc(F)cc1 ZINC000641887604 362798430 /nfs/dbraw/zinc/79/84/30/362798430.db2.gz DTBVJCWTMSKIDJ-ZDUSSCGKSA-N 0 0 238.327 3.820 20 0 BHADRN O=C1CCCCC[C@H]1Sc1ccccc1F ZINC000641887714 362798441 /nfs/dbraw/zinc/79/84/41/362798441.db2.gz YJJVDTWGGYLFAA-CYBMUJFWSA-N 0 0 238.327 3.820 20 0 BHADRN O=C1CCCCC[C@@H]1Sc1ccccc1F ZINC000641887715 362797892 /nfs/dbraw/zinc/79/78/92/362797892.db2.gz YJJVDTWGGYLFAA-ZDUSSCGKSA-N 0 0 238.327 3.820 20 0 BHADRN CC[C@H](C)C(=O)N(CCC(C)C)CCC(C)C ZINC000641895836 362799308 /nfs/dbraw/zinc/79/93/08/362799308.db2.gz WVWXLEAGXBMXLD-AWEZNQCLSA-N 0 0 241.419 3.953 20 0 BHADRN CC[C@@H](C)C(=O)N(CCC(C)C)CCC(C)C ZINC000641895837 362799792 /nfs/dbraw/zinc/79/97/92/362799792.db2.gz WVWXLEAGXBMXLD-CQSZACIVSA-N 0 0 241.419 3.953 20 0 BHADRN CC(C)c1ccc(CN(C)c2ccccn2)cc1 ZINC000641935539 362806430 /nfs/dbraw/zinc/80/64/30/362806430.db2.gz YCQPZXYPZQAMEA-UHFFFAOYSA-N 0 0 240.350 3.841 20 0 BHADRN c1ccc2cc(Sc3cnccn3)ccc2c1 ZINC000641935799 362805969 /nfs/dbraw/zinc/80/59/69/362805969.db2.gz LRCPTIQHZNLKCA-UHFFFAOYSA-N 0 0 238.315 3.781 20 0 BHADRN Cc1ccc2c(C)cc(N3CCCCC3)nc2c1 ZINC000641936025 362806446 /nfs/dbraw/zinc/80/64/46/362806446.db2.gz KPNHKJHGDJPFFB-UHFFFAOYSA-N 0 0 240.350 3.842 20 0 BHADRN CCCCN(C)c1ncnc2sc(C)c(C)c21 ZINC000641936107 362806481 /nfs/dbraw/zinc/80/64/81/362806481.db2.gz AHPBQCJCLMPBHO-UHFFFAOYSA-N 0 0 249.383 3.544 20 0 BHADRN C[C@@H]1C[C@H](C)CN(c2ccc3ccccc3n2)C1 ZINC000641936118 362806376 /nfs/dbraw/zinc/80/63/76/362806376.db2.gz FQGQLNVEUHLAJY-BETUJISGSA-N 0 0 240.350 3.717 20 0 BHADRN C[C@@H]1C[C@@H](C)CN(c2ccc3ccccc3n2)C1 ZINC000641936119 362806532 /nfs/dbraw/zinc/80/65/32/362806532.db2.gz FQGQLNVEUHLAJY-CHWSQXEVSA-N 0 0 240.350 3.717 20 0 BHADRN C[C@H]1C[C@H](C)CN(c2ccc3ccccc3n2)C1 ZINC000641936120 362806102 /nfs/dbraw/zinc/80/61/02/362806102.db2.gz FQGQLNVEUHLAJY-STQMWFEESA-N 0 0 240.350 3.717 20 0 BHADRN Cc1ccc2c(C)cc(NC3CCCC3)nc2c1 ZINC000641936284 362806017 /nfs/dbraw/zinc/80/60/17/362806017.db2.gz YNTJLQPGVXKWGK-UHFFFAOYSA-N 0 0 240.350 3.628 20 0 BHADRN CCN(C(=O)CCCC1CCCCC1)C1CC1 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242.407 3.691 20 0 BHADRN CCCCCNC(=O)N[C@@H](C)CCCC(C)C ZINC000642105026 362863120 /nfs/dbraw/zinc/86/31/20/362863120.db2.gz NETAQAXDWRBXAC-ZDUSSCGKSA-N 0 0 242.407 3.691 20 0 BHADRN CCC[C@@H](C)NC(=O)N[C@H](C)CCCC(C)C ZINC000642105027 362863062 /nfs/dbraw/zinc/86/30/62/362863062.db2.gz NPOWEJYWKJAIQU-CHWSQXEVSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@@H](C)NC(=O)N[C@@H](C)CCCC(C)C ZINC000642105028 362862980 /nfs/dbraw/zinc/86/29/80/362862980.db2.gz NPOWEJYWKJAIQU-OLZOCXBDSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](C)NC(=O)N[C@H](C)CCCC(C)C ZINC000642105029 362863053 /nfs/dbraw/zinc/86/30/53/362863053.db2.gz NPOWEJYWKJAIQU-QWHCGFSZSA-N 0 0 242.407 3.689 20 0 BHADRN CCC[C@H](C)NC(=O)N[C@@H](C)CCCC(C)C ZINC000642105030 362862948 /nfs/dbraw/zinc/86/29/48/362862948.db2.gz NPOWEJYWKJAIQU-STQMWFEESA-N 0 0 242.407 3.689 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)N[C@H](C)CCC ZINC000642105049 362863598 /nfs/dbraw/zinc/86/35/98/362863598.db2.gz ZHEMHLBYJXAMET-CHWSQXEVSA-N 0 0 242.407 3.691 20 0 BHADRN CCCC[C@H](CC)CNC(=O)N[C@H](C)CCC ZINC000642105050 362863595 /nfs/dbraw/zinc/86/35/95/362863595.db2.gz ZHEMHLBYJXAMET-OLZOCXBDSA-N 0 0 242.407 3.691 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)N[C@@H](C)CCC ZINC000642105051 362863676 /nfs/dbraw/zinc/86/36/76/362863676.db2.gz ZHEMHLBYJXAMET-QWHCGFSZSA-N 0 0 242.407 3.691 20 0 BHADRN CCCC[C@H](CC)CNC(=O)N[C@@H](C)CCC ZINC000642105052 362863628 /nfs/dbraw/zinc/86/36/28/362863628.db2.gz ZHEMHLBYJXAMET-STQMWFEESA-N 0 0 242.407 3.691 20 0 BHADRN CCCCCN(C(=O)CC1CCCC1)C(C)C ZINC000642115793 398079433 /nfs/dbraw/zinc/07/94/33/398079433.db2.gz IPWXLCCDRXGARX-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN Cc1cc(C)cc(C(=O)N(CC(C)C)C(C)C)c1 ZINC000642115945 398079435 /nfs/dbraw/zinc/07/94/35/398079435.db2.gz DYAYZJXQRISPGS-UHFFFAOYSA-N 0 0 247.382 3.810 20 0 BHADRN CC(C)CCOc1c(F)c(F)cc(F)c1F ZINC000642117185 362869870 /nfs/dbraw/zinc/86/98/70/362869870.db2.gz UFKHVFVODOWNEW-UHFFFAOYSA-N 0 0 236.208 3.668 20 0 BHADRN O=C(CC1CC1)Nc1cccc(Cl)c1Cl ZINC000642123193 362882375 /nfs/dbraw/zinc/88/23/75/362882375.db2.gz BSSNBHKWSXLRSB-UHFFFAOYSA-N 0 0 244.121 3.732 20 0 BHADRN CCCN(Cc1ccc(C)cc1)C(=O)CC1CC1 ZINC000642129356 362883383 /nfs/dbraw/zinc/88/33/83/362883383.db2.gz CTKDAVCQCBEXJB-UHFFFAOYSA-N 0 0 245.366 3.534 20 0 BHADRN CC(C)CCN(CCC(C)C)C(=O)CC1CC1 ZINC000642137412 362885907 /nfs/dbraw/zinc/88/59/07/362885907.db2.gz SUORIOKRHUKGNG-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CC1CC1 ZINC000642140706 362886089 /nfs/dbraw/zinc/88/60/89/362886089.db2.gz UJQBRHKQYRYIMQ-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CC1CC1 ZINC000642140707 362885625 /nfs/dbraw/zinc/88/56/25/362885625.db2.gz UJQBRHKQYRYIMQ-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CC1CC1 ZINC000642140708 362886337 /nfs/dbraw/zinc/88/63/37/362886337.db2.gz UJQBRHKQYRYIMQ-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CC1CC1 ZINC000642140709 362885765 /nfs/dbraw/zinc/88/57/65/362885765.db2.gz UJQBRHKQYRYIMQ-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCN(C(=O)CC1CC1)C1CCCC1 ZINC000642141554 362885471 /nfs/dbraw/zinc/88/54/71/362885471.db2.gz BUJVKSABRUTZNY-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCN(C(=O)CC(C)(C)C)C(C)C ZINC000642145233 362887261 /nfs/dbraw/zinc/88/72/61/362887261.db2.gz FUHLXAKRIQYGCJ-UHFFFAOYSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCCN(C(=O)CCC(C)C)C(C)C ZINC000642145255 362887173 /nfs/dbraw/zinc/88/71/73/362887173.db2.gz NXBHJCVDMRRWOW-UHFFFAOYSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCCC(=O)N(CCCCC)C(C)C ZINC000642145293 362886921 /nfs/dbraw/zinc/88/69/21/362886921.db2.gz ZUGBTJJOJZUBNE-UHFFFAOYSA-N 0 0 227.392 3.994 20 0 BHADRN CCCCN(C(=O)c1cccc(C)c1C)C1CC1 ZINC000642149053 362887953 /nfs/dbraw/zinc/88/79/53/362887953.db2.gz PWKOGICAIOOASX-UHFFFAOYSA-N 0 0 245.366 3.708 20 0 BHADRN CC(C)=C[C@H]1[C@@H](C(=O)NCC2CCCC2)C1(C)C ZINC000642151144 362888299 /nfs/dbraw/zinc/88/82/99/362888299.db2.gz RWTWBLAFOTYKBB-KBPBESRZSA-N 0 0 249.398 3.531 20 0 BHADRN CC(C)=C[C@@H]1[C@@H](C(=O)NCC2CCCC2)C1(C)C ZINC000642151145 362888070 /nfs/dbraw/zinc/88/80/70/362888070.db2.gz RWTWBLAFOTYKBB-KGLIPLIRSA-N 0 0 249.398 3.531 20 0 BHADRN CC(C)=C[C@H]1[C@H](C(=O)NCC2CCCC2)C1(C)C ZINC000642151146 362888091 /nfs/dbraw/zinc/88/80/91/362888091.db2.gz RWTWBLAFOTYKBB-UONOGXRCSA-N 0 0 249.398 3.531 20 0 BHADRN CC(C)=C[C@@H]1[C@H](C(=O)NCC2CCCC2)C1(C)C ZINC000642151147 362888295 /nfs/dbraw/zinc/88/82/95/362888295.db2.gz RWTWBLAFOTYKBB-ZIAGYGMSSA-N 0 0 249.398 3.531 20 0 BHADRN CC1(C(=O)NCCC2CCCCC2)CCCC1 ZINC000642152905 362889099 /nfs/dbraw/zinc/88/90/99/362889099.db2.gz LCQMPMHCKWDJCV-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CC(C)CCC(=O)N(CC(C)C)CC(C)C ZINC000642161559 362892566 /nfs/dbraw/zinc/89/25/66/362892566.db2.gz YIZCLFTVRABOGO-UHFFFAOYSA-N 0 0 227.392 3.563 20 0 BHADRN Cc1cc(C(=O)Nc2cc(C)ccc2C)c(C)[nH]1 ZINC000642162249 362892322 /nfs/dbraw/zinc/89/23/22/362892322.db2.gz 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3.751 20 0 BHADRN Cc1nc(C2CCC2)nn1CC1CCC(C)CC1 ZINC000642233882 362975474 /nfs/dbraw/zinc/97/54/74/362975474.db2.gz LISGYPATRNBUDI-UHFFFAOYSA-N 0 0 247.386 3.680 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000642246963 362987437 /nfs/dbraw/zinc/98/74/37/362987437.db2.gz DGTNXIFNHWWYSL-KWCYVHTRSA-N 0 0 245.366 3.546 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000642246964 362987909 /nfs/dbraw/zinc/98/79/09/362987909.db2.gz DGTNXIFNHWWYSL-MRVWCRGKSA-N 0 0 245.366 3.546 20 0 BHADRN CC[C@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000642247306 362987429 /nfs/dbraw/zinc/98/74/29/362987429.db2.gz GMCNOBXGUIKXMY-GXTWGEPZSA-N 0 0 247.382 3.936 20 0 BHADRN CC[C@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000642247308 362987725 /nfs/dbraw/zinc/98/77/25/362987725.db2.gz GMCNOBXGUIKXMY-JSGCOSHPSA-N 0 0 247.382 3.936 20 0 BHADRN CC[C@@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000642247309 362987871 /nfs/dbraw/zinc/98/78/71/362987871.db2.gz GMCNOBXGUIKXMY-OCCSQVGLSA-N 0 0 247.382 3.936 20 0 BHADRN CC[C@@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000642247310 362987876 /nfs/dbraw/zinc/98/78/76/362987876.db2.gz GMCNOBXGUIKXMY-TZMCWYRMSA-N 0 0 247.382 3.936 20 0 BHADRN Cc1cc(C)cc(C(=O)N(CC2CC2)C(C)C)c1 ZINC000642250260 362990818 /nfs/dbraw/zinc/99/08/18/362990818.db2.gz KJFYWAHJGNWGAM-UHFFFAOYSA-N 0 0 245.366 3.564 20 0 BHADRN CCc1ccc(C(=O)N(CC2CC2)C(C)C)cc1 ZINC000642250371 362991773 /nfs/dbraw/zinc/99/17/73/362991773.db2.gz NIJUHWQLFUEGOD-UHFFFAOYSA-N 0 0 245.366 3.510 20 0 BHADRN CCCCc1ccc(C(=O)NCC2CCC2)cc1 ZINC000642265659 363049226 /nfs/dbraw/zinc/04/92/26/363049226.db2.gz RQINVRWHVILVFS-UHFFFAOYSA-N 0 0 245.366 3.559 20 0 BHADRN Cc1cc(C(=O)Nc2c(C)cccc2C)c(C)[nH]1 ZINC000642288568 363221265 /nfs/dbraw/zinc/22/12/65/363221265.db2.gz ZEMNXJAVKPHDOG-UHFFFAOYSA-N 0 0 242.322 3.501 20 0 BHADRN CCCC[C@@H](CC)C(=O)NCCC(C)(C)C ZINC000642305230 363233953 /nfs/dbraw/zinc/23/39/53/363233953.db2.gz BRTSCRDXUQQNIZ-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC[C@H](CC)C(=O)NCCC(C)(C)C ZINC000642305231 363235222 /nfs/dbraw/zinc/23/52/22/363235222.db2.gz BRTSCRDXUQQNIZ-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000642306892 363236209 /nfs/dbraw/zinc/23/62/09/363236209.db2.gz OJNOUVBOSLMERO-BFHYXJOUSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000642306893 363236640 /nfs/dbraw/zinc/23/66/40/363236640.db2.gz OJNOUVBOSLMERO-MELADBBJSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCN(C(=O)C2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000642307033 363236612 /nfs/dbraw/zinc/23/66/12/363236612.db2.gz RMXPZTBHJGDUDL-SNPRPXQTSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCN(C(=O)C2CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000642307037 363235878 /nfs/dbraw/zinc/23/58/78/363235878.db2.gz RMXPZTBHJGDUDL-VHDGCEQUSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)C(C)(C)c1ccccc1 ZINC000642313680 363245301 /nfs/dbraw/zinc/24/53/01/363245301.db2.gz WKDWJUFQGRWIGC-CYBMUJFWSA-N 0 0 247.382 3.611 20 0 BHADRN CCC[C@H](C)N(C)C(=O)C(C)(C)c1ccccc1 ZINC000642313681 363245796 /nfs/dbraw/zinc/24/57/96/363245796.db2.gz WKDWJUFQGRWIGC-ZDUSSCGKSA-N 0 0 247.382 3.611 20 0 BHADRN CCC[C@@H](C)N(C)c1ccc(C(F)(F)F)cn1 ZINC000642327230 363286822 /nfs/dbraw/zinc/28/68/22/363286822.db2.gz YXWJRLGLYQRYGQ-SECBINFHSA-N 0 0 246.276 3.725 20 0 BHADRN CCC[C@H](C)N(C)c1ccc(C(F)(F)F)cn1 ZINC000642327231 363286694 /nfs/dbraw/zinc/28/66/94/363286694.db2.gz YXWJRLGLYQRYGQ-VIFPVBQESA-N 0 0 246.276 3.725 20 0 BHADRN CCN(CC(C)C)c1nc2ccccc2s1 ZINC000642328023 363297979 /nfs/dbraw/zinc/29/79/79/363297979.db2.gz VOVWPYZBURUDBW-UHFFFAOYSA-N 0 0 234.368 3.779 20 0 BHADRN Clc1cc(C2CC2)ccc1OCc1ccno1 ZINC000642353064 363546893 /nfs/dbraw/zinc/54/68/93/363546893.db2.gz HETSAABFJNEEGX-UHFFFAOYSA-N 0 0 249.697 3.784 20 0 BHADRN CCC(CC)CN(CC)C(=O)Cc1ccccc1 ZINC000642367565 363894085 /nfs/dbraw/zinc/89/40/85/363894085.db2.gz LPZSQESWHIPMTN-UHFFFAOYSA-N 0 0 247.382 3.514 20 0 BHADRN CCCCCC(=O)Nc1ccccc1OC(C)C ZINC000642368576 363895461 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ZINC000643164141 385471852 /nfs/dbraw/zinc/47/18/52/385471852.db2.gz ATWFNYJWCLNJJH-HNNXBMFYSA-N 0 0 249.398 3.748 20 0 BHADRN O=C(CCCC1CC1)N1CCC[C@@H]1C1CCCC1 ZINC000643164142 385470632 /nfs/dbraw/zinc/47/06/32/385470632.db2.gz ATWFNYJWCLNJJH-OAHLLOKOSA-N 0 0 249.398 3.748 20 0 BHADRN C[C@H]1CCC[C@@H](CNC(=O)CCCC2CC2)C1 ZINC000643167278 397908258 /nfs/dbraw/zinc/90/82/58/397908258.db2.gz KPWFXIOASSKFOT-GXTWGEPZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H]1CCC[C@H](CNC(=O)CCCC2CC2)C1 ZINC000643167279 397908570 /nfs/dbraw/zinc/90/85/70/397908570.db2.gz KPWFXIOASSKFOT-JSGCOSHPSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H]1CCC[C@H](CNC(=O)CCCC2CC2)C1 ZINC000643167280 397908660 /nfs/dbraw/zinc/90/86/60/397908660.db2.gz KPWFXIOASSKFOT-OCCSQVGLSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H]1CCC[C@@H](CNC(=O)CCCC2CC2)C1 ZINC000643167281 397908147 /nfs/dbraw/zinc/90/81/47/397908147.db2.gz KPWFXIOASSKFOT-TZMCWYRMSA-N 0 0 237.387 3.509 20 0 BHADRN CC1CCC(CNC(=O)CCCC2CC2)CC1 ZINC000643167310 397908253 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/nfs/dbraw/zinc/61/32/74/385613274.db2.gz LMEVOWSELRDSMM-LBPRGKRZSA-N 0 0 245.366 3.963 20 0 BHADRN CC(C)C[C@@H]1CCCN1C(=O)CCCC1CC1 ZINC000643184929 385612657 /nfs/dbraw/zinc/61/26/57/385612657.db2.gz IUIAJWPUDFXMLT-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)C[C@H]1CCCN1C(=O)CCCC1CC1 ZINC000643184930 385614027 /nfs/dbraw/zinc/61/40/27/385614027.db2.gz IUIAJWPUDFXMLT-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CCC1(C)CCN(C(=O)CCCC2CC2)CC1 ZINC000643188105 385625622 /nfs/dbraw/zinc/62/56/22/385625622.db2.gz VGEUZFUIIGBAHO-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN O=C(CCCC1CC1)Nc1cccc2[nH]ccc21 ZINC000643189556 385628799 /nfs/dbraw/zinc/62/87/99/385628799.db2.gz WTJVQGYFHFXLKY-UHFFFAOYSA-N 0 0 242.322 3.687 20 0 BHADRN COc1ccc(NC(=O)CCCC2CC2)c(C)c1 ZINC000643190881 385637290 /nfs/dbraw/zinc/63/72/90/385637290.db2.gz GNTXXPRBNYCQSC-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN Cc1cc(NC(=O)CCCC2CC2)ccc1F ZINC000643195183 385650411 /nfs/dbraw/zinc/65/04/11/385650411.db2.gz 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CAHMBLTWLAQRFS-UHFFFAOYSA-N 0 0 242.407 3.787 20 0 BHADRN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCC1CC1 ZINC000643210464 385623754 /nfs/dbraw/zinc/62/37/54/385623754.db2.gz CDFLQHFCODRSOR-BPLDGKMQSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC1CC1 ZINC000643210465 385624306 /nfs/dbraw/zinc/62/43/06/385624306.db2.gz CDFLQHFCODRSOR-SNPRPXQTSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCC1CC1 ZINC000643210466 385624287 /nfs/dbraw/zinc/62/42/87/385624287.db2.gz CDFLQHFCODRSOR-VHDGCEQUSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCC1CC1 ZINC000643210467 385623407 /nfs/dbraw/zinc/62/34/07/385623407.db2.gz CDFLQHFCODRSOR-YUELXQCFSA-N 0 0 249.398 3.746 20 0 BHADRN CC[C@@H]1CCCN(C(=O)CCCC2CC2)CC1 ZINC000643211127 385631738 /nfs/dbraw/zinc/63/17/38/385631738.db2.gz TWAHUECPITXZGE-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@H]1CCCN(C(=O)CCCC2CC2)CC1 ZINC000643211128 385632245 /nfs/dbraw/zinc/63/22/45/385632245.db2.gz TWAHUECPITXZGE-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCNC(=O)N(CC)CC(CC)CC ZINC000643211404 385634320 /nfs/dbraw/zinc/63/43/20/385634320.db2.gz CWSRIEFUABZZGE-UHFFFAOYSA-N 0 0 242.407 3.644 20 0 BHADRN C[C@H](CCC(C)(C)C)NC(=O)CCCC1CC1 ZINC000643213460 385649292 /nfs/dbraw/zinc/64/92/92/385649292.db2.gz FRMZHGYDDVYPMI-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H](CCC(C)(C)C)NC(=O)CCCC1CC1 ZINC000643213461 385648649 /nfs/dbraw/zinc/64/86/49/385648649.db2.gz FRMZHGYDDVYPMI-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)(C)CCCNC(=O)CCCC1CC1 ZINC000643214706 385658167 /nfs/dbraw/zinc/65/81/67/385658167.db2.gz HHNOVIJBPJRGJY-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN C[C@H]1C[C@H](NC(=O)CCCC2CC2)C[C@@H](C)C1 ZINC000643214888 385656940 /nfs/dbraw/zinc/65/69/40/385656940.db2.gz STJJZHFQJKBPMP-IMRBUKKESA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC(NC(=O)CCCC2CC2)C[C@@H](C)C1 ZINC000643214889 385658234 /nfs/dbraw/zinc/65/82/34/385658234.db2.gz STJJZHFQJKBPMP-RYUDHWBXSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H]1CC(NC(=O)CCCC2CC2)C[C@H](C)C1 ZINC000643214890 385657682 /nfs/dbraw/zinc/65/76/82/385657682.db2.gz STJJZHFQJKBPMP-VXGBXAGGSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H]1CCC[C@@H](NC(=O)CCCC2CC2)C1 ZINC000643215267 385662297 /nfs/dbraw/zinc/66/22/97/385662297.db2.gz CHSCWLNBKNKEKM-GXTWGEPZSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@H]1CCC[C@H](NC(=O)CCCC2CC2)C1 ZINC000643215268 385661564 /nfs/dbraw/zinc/66/15/64/385661564.db2.gz CHSCWLNBKNKEKM-JSGCOSHPSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@H](NC(=O)CCCC2CC2)C1 ZINC000643215269 385662398 /nfs/dbraw/zinc/66/23/98/385662398.db2.gz CHSCWLNBKNKEKM-OCCSQVGLSA-N 0 0 237.387 3.652 20 0 BHADRN CC[C@@H]1CCC[C@@H](NC(=O)CCCC2CC2)C1 ZINC000643215270 385661783 /nfs/dbraw/zinc/66/17/83/385661783.db2.gz CHSCWLNBKNKEKM-TZMCWYRMSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H](NC(=O)CCCC1CC1)C1CCCCC1 ZINC000643216020 385667534 /nfs/dbraw/zinc/66/75/34/385667534.db2.gz RIFUMOSJZCJIJW-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN 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385694105 /nfs/dbraw/zinc/69/41/05/385694105.db2.gz MJKHZUQPARPLEK-QLFBSQMISA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CCCC1CC1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000643219439 385693138 /nfs/dbraw/zinc/69/31/38/385693138.db2.gz MJKHZUQPARPLEK-RBSFLKMASA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CCCC1CC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000643219440 385693598 /nfs/dbraw/zinc/69/35/98/385693598.db2.gz MJKHZUQPARPLEK-RRFJBIMHSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CCCC1CC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000643219441 385692809 /nfs/dbraw/zinc/69/28/09/385692809.db2.gz MJKHZUQPARPLEK-SOUVJXGZSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(CCCC1CC1)N1C2CCCC1CCC2 ZINC000643219453 385693626 /nfs/dbraw/zinc/69/36/26/385693626.db2.gz ODWBWPFPJIHFRW-UHFFFAOYSA-N 0 0 235.371 3.500 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)CCCC1CC1 ZINC000643220673 385704091 /nfs/dbraw/zinc/70/40/91/385704091.db2.gz QKIKZCZAFGGOQB-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)CCCC1CC1 ZINC000643220674 385704435 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/nfs/dbraw/zinc/83/29/08/385832908.db2.gz FCKODMNLDPVUOR-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCC[C@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC000643229057 385833024 /nfs/dbraw/zinc/83/30/24/385833024.db2.gz XHHGZOQCSWWGGI-AWEZNQCLSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC000643229058 385832830 /nfs/dbraw/zinc/83/28/30/385832830.db2.gz XHHGZOQCSWWGGI-CQSZACIVSA-N 0 0 237.387 3.605 20 0 BHADRN CCCC1(CNC(=O)CCCC2CC2)CCC1 ZINC000643229209 385833921 /nfs/dbraw/zinc/83/39/21/385833921.db2.gz KNJBWUKKVXELBJ-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCC(CC)(CC)CNC(=O)CCCC1CC1 ZINC000643229514 385833897 /nfs/dbraw/zinc/83/38/97/385833897.db2.gz MFZKYWUTJGRACU-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC1(CNC(=O)CCCC2CC2)CCCC1 ZINC000643229693 385833185 /nfs/dbraw/zinc/83/31/85/385833185.db2.gz AIYGJBIWPCMVNG-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CC(C)CCN(C(=O)CCCC1CC1)C1CC1 ZINC000643230513 385832250 /nfs/dbraw/zinc/83/22/50/385832250.db2.gz 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CCN(C(=O)CCCC1CC1)c1ccccc1C ZINC000643388544 386467475 /nfs/dbraw/zinc/46/74/75/386467475.db2.gz FJXVQMIQITUFEC-UHFFFAOYSA-N 0 0 245.366 3.928 20 0 BHADRN CC(C)N(C(=O)CCCC1CC1)C1CCCC1 ZINC000643393332 386672831 /nfs/dbraw/zinc/67/28/31/386672831.db2.gz JWYAZTKYUURTSO-UHFFFAOYSA-N 0 0 237.387 3.746 20 0 BHADRN O=C(CCCC1CC1)N(C1CC1)C1CCCC1 ZINC000643396216 386716712 /nfs/dbraw/zinc/71/67/12/386716712.db2.gz GPSVKYAYFPSPHN-UHFFFAOYSA-N 0 0 235.371 3.500 20 0 BHADRN CCN(C(=O)CCCC1CC1)c1ccccc1F ZINC000643397529 386838196 /nfs/dbraw/zinc/83/81/96/386838196.db2.gz BJUSQGKWXCEKQJ-UHFFFAOYSA-N 0 0 249.329 3.759 20 0 BHADRN CCN(C(=O)CCCC1CC1)c1cccc(C)c1 ZINC000643397530 411200951 /nfs/dbraw/zinc/20/09/51/411200951.db2.gz KTVOTQLIEARPLP-UHFFFAOYSA-N 0 0 245.366 3.928 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N(C1CC1)C1CCCCC1 ZINC000643401983 386769885 /nfs/dbraw/zinc/76/98/85/386769885.db2.gz QIKDLRCNEXNBLI-IUODEOHRSA-N 0 0 249.398 3.746 20 0 BHADRN O=C(CCCC1CC1)N(C1CC1)C1CCCCC1 ZINC000643402009 386770393 /nfs/dbraw/zinc/77/03/93/386770393.db2.gz WQMYYWBJLOTRID-UHFFFAOYSA-N 0 0 249.398 3.890 20 0 BHADRN CCN(C(=O)CCCC1CC1)c1cccc(F)c1 ZINC000643408417 387032852 /nfs/dbraw/zinc/03/28/52/387032852.db2.gz BOOSMFYXBSUUOG-UHFFFAOYSA-N 0 0 249.329 3.759 20 0 BHADRN CCCCN(C(=O)CCCC1CC1)[C@H](C)CC ZINC000643412013 386607608 /nfs/dbraw/zinc/60/76/08/386607608.db2.gz OZNDTQQVRORNEX-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCN(C(=O)CCCC1CC1)[C@@H](C)CC ZINC000643412014 386608444 /nfs/dbraw/zinc/60/84/44/386608444.db2.gz OZNDTQQVRORNEX-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCN(C(=O)CCCC1CC1)C(C)C ZINC000643412533 386643450 /nfs/dbraw/zinc/64/34/50/386643450.db2.gz CLDWJKNKRRKFHY-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)CN(CC(C)C)C(=O)CCCC1CC1 ZINC000643415671 386720429 /nfs/dbraw/zinc/72/04/29/386720429.db2.gz CKAMQMPDBRCLSO-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)[C@@H](C)N(C(=O)CCCC1CC1)C1CC1 ZINC000643416240 386751639 /nfs/dbraw/zinc/75/16/39/386751639.db2.gz SZXIRRUZJYLCHE-GFCCVEGCSA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)[C@H](C)N(C(=O)CCCC1CC1)C1CC1 ZINC000643416241 386752540 /nfs/dbraw/zinc/75/25/40/386752540.db2.gz SZXIRRUZJYLCHE-LBPRGKRZSA-N 0 0 237.387 3.602 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N(C(CC)CC)C1CC1 ZINC000643420352 386685505 /nfs/dbraw/zinc/68/55/05/386685505.db2.gz CCBVPRYSWVHDHD-BXUZGUMPSA-N 0 0 237.387 3.602 20 0 BHADRN CCC(CC)N(C(=O)CCCC1CC1)C1CC1 ZINC000643420370 386682339 /nfs/dbraw/zinc/68/23/39/386682339.db2.gz PEWBMJMCIIAJQY-UHFFFAOYSA-N 0 0 237.387 3.746 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)CCCC2CC2)c1 ZINC000643441222 387384497 /nfs/dbraw/zinc/38/44/97/387384497.db2.gz FIYYZCOMROQBRM-UHFFFAOYSA-N 0 0 245.366 3.847 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)CCCC2CC2)c1 ZINC000643441262 387386161 /nfs/dbraw/zinc/38/61/61/387386161.db2.gz JINMAEOCCBAWCM-UHFFFAOYSA-N 0 0 245.366 3.847 20 0 BHADRN Cc1cccc(N(C)C(=O)CCCC2CC2)c1C ZINC000643441304 387385251 /nfs/dbraw/zinc/38/52/51/387385251.db2.gz QDVUOJNCGWJYLQ-UHFFFAOYSA-N 0 0 245.366 3.847 20 0 BHADRN CC(C)(NC(=O)CCCC1CC1)c1ccccc1 ZINC000643448704 387728357 /nfs/dbraw/zinc/72/83/57/387728357.db2.gz JSUQGRKJCPICQI-UHFFFAOYSA-N 0 0 245.366 3.618 20 0 BHADRN CC1CCC(C)(NC(=O)CCCC2CC2)CC1 ZINC000643462328 387306770 /nfs/dbraw/zinc/30/67/70/387306770.db2.gz XSFRDUNCMAVKLI-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1cccc(N(C)C(=O)CCCC2CC2)c1 ZINC000643470644 387461605 /nfs/dbraw/zinc/46/16/05/387461605.db2.gz RMKNUDNRDPTHRV-UHFFFAOYSA-N 0 0 231.339 3.538 20 0 BHADRN CC(C)(C)[C@H]1CCCN1C(=O)CCCC1CC1 ZINC000643485892 387329819 /nfs/dbraw/zinc/32/98/19/387329819.db2.gz ZEYRPLMVLDWZRE-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)(C)[C@@H]1CCCN1C(=O)CCCC1CC1 ZINC000643485893 387328241 /nfs/dbraw/zinc/32/82/41/387328241.db2.gz ZEYRPLMVLDWZRE-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H](CC1CCC1)Nc1ccc2c(c1)CCN2 ZINC000643503258 387378632 /nfs/dbraw/zinc/37/86/32/387378632.db2.gz FCSRGCHCZBPZMI-LLVKDONJSA-N 0 0 230.355 3.645 20 0 BHADRN C[C@@H](CC1CCC1)Nc1ccc2c(c1)CCN2 ZINC000643503259 387378416 /nfs/dbraw/zinc/37/84/16/387378416.db2.gz FCSRGCHCZBPZMI-NSHDSACASA-N 0 0 230.355 3.645 20 0 BHADRN CC(C)[C@@H]1CCCCN1C(=O)CCCC1CC1 ZINC000643540020 387882115 /nfs/dbraw/zinc/88/21/15/387882115.db2.gz RISHQAWESILFCS-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC000643540021 387880799 /nfs/dbraw/zinc/88/07/99/387880799.db2.gz RISHQAWESILFCS-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](C)C(=O)NCCc1ccc(C(C)C)cc1 ZINC000643593599 384215594 /nfs/dbraw/zinc/21/55/94/384215594.db2.gz WSLPMJXVVTXLDO-CYBMUJFWSA-N 0 0 247.382 3.515 20 0 BHADRN CC[C@H](C)C(=O)NCCc1ccc(C(C)C)cc1 ZINC000643593600 384216102 /nfs/dbraw/zinc/21/61/02/384216102.db2.gz WSLPMJXVVTXLDO-ZDUSSCGKSA-N 0 0 247.382 3.515 20 0 BHADRN CC[C@@H](C)C(=O)Nc1cccc2c1CCCC2 ZINC000643594788 384224825 /nfs/dbraw/zinc/22/48/25/384224825.db2.gz BBHWWBKMCCVOPW-LLVKDONJSA-N 0 0 231.339 3.550 20 0 BHADRN CC[C@H](C)C(=O)Nc1cccc2c1CCCC2 ZINC000643594789 384224068 /nfs/dbraw/zinc/22/40/68/384224068.db2.gz BBHWWBKMCCVOPW-NSHDSACASA-N 0 0 231.339 3.550 20 0 BHADRN CCC(CC)(CC)NC(=O)CCCC1CC1 ZINC000643602642 384803888 /nfs/dbraw/zinc/80/38/88/384803888.db2.gz QTNBZWZEHVBWCV-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN CCCN(C(=O)CCCC1CC1)C(C)(C)C ZINC000643653232 384346447 /nfs/dbraw/zinc/34/64/47/384346447.db2.gz GSWPKIKGYXYTQT-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN Cc1ncccc1COc1cccc(C2CC2)c1 ZINC000643653718 384352003 /nfs/dbraw/zinc/35/20/03/384352003.db2.gz KAMQWKUJWBWSJH-UHFFFAOYSA-N 0 0 239.318 3.846 20 0 BHADRN Cc1ccnc(COc2cccc(C3CC3)c2)c1 ZINC000643653838 384352212 /nfs/dbraw/zinc/35/22/12/384352212.db2.gz XDPRYHYTHFUVTM-UHFFFAOYSA-N 0 0 239.318 3.846 20 0 BHADRN Cc1cccc(F)c1NC(=O)CCCC1CC1 ZINC000643752727 384488118 /nfs/dbraw/zinc/48/81/18/384488118.db2.gz SGVZEXXIDSWJQT-UHFFFAOYSA-N 0 0 235.302 3.653 20 0 BHADRN CC[C@@H](C)N(C(=O)CCCC1CC1)[C@@H](C)CC ZINC000643754899 384630934 /nfs/dbraw/zinc/63/09/34/384630934.db2.gz IXFWVHJNAWFCJV-BETUJISGSA-N 0 0 239.403 3.992 20 0 BHADRN CC[C@@H](C)N(C(=O)CCCC1CC1)[C@H](C)CC ZINC000643754900 384631041 /nfs/dbraw/zinc/63/10/41/384631041.db2.gz IXFWVHJNAWFCJV-CHWSQXEVSA-N 0 0 239.403 3.992 20 0 BHADRN CC[C@H](C)N(C(=O)CCCC1CC1)[C@@H](C)CC ZINC000643754901 384631105 /nfs/dbraw/zinc/63/11/05/384631105.db2.gz IXFWVHJNAWFCJV-STQMWFEESA-N 0 0 239.403 3.992 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)CCCC1CC1 ZINC000643785799 384338578 /nfs/dbraw/zinc/33/85/78/384338578.db2.gz AZZOKCWWIUUZQK-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN O=C(CCCC1CC1)N(CC1CC1)CC1CCC1 ZINC000643794800 384595732 /nfs/dbraw/zinc/59/57/32/384595732.db2.gz RSMILAOXLFVNDT-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN CCC(CC)N(CC)C(=O)CCCC1CC1 ZINC000643800457 385105276 /nfs/dbraw/zinc/10/52/76/385105276.db2.gz RRJXHYHFZGBBOB-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN COc1ccc(-c2nc3ccccc3[nH]2)cc1C ZINC000643812492 385358910 /nfs/dbraw/zinc/35/89/10/385358910.db2.gz LNBNUAJWWTUOQQ-UHFFFAOYSA-N 0 0 238.290 3.547 20 0 BHADRN CCN(CC(C)(C)C)C(=O)C(C)(CC)CC ZINC000643882199 384720420 /nfs/dbraw/zinc/72/04/20/384720420.db2.gz DUACEIMXSZIPBJ-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN CN(Cc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000643885563 384729722 /nfs/dbraw/zinc/72/97/22/384729722.db2.gz KJMBFAAUXZSUIF-UHFFFAOYSA-N 0 0 236.318 3.804 20 0 BHADRN c1cc2cc(CN3CCc4ccccc43)ccc2[nH]1 ZINC000643887930 384725451 /nfs/dbraw/zinc/72/54/51/384725451.db2.gz HUSRNMDERGLFCI-UHFFFAOYSA-N 0 0 248.329 3.731 20 0 BHADRN C[C@H]1CCCC[C@H]1c1nc(C2CCC2)no1 ZINC000643934726 385297489 /nfs/dbraw/zinc/29/74/89/385297489.db2.gz KNGWMHQYZOTFEX-GXSJLCMTSA-N 0 0 220.316 3.631 20 0 BHADRN C[C@@H]1CCCC[C@@H]1c1nc(C2CCC2)no1 ZINC000643934727 385296586 /nfs/dbraw/zinc/29/65/86/385296586.db2.gz KNGWMHQYZOTFEX-KOLCDFICSA-N 0 0 220.316 3.631 20 0 BHADRN C[C@@H]1CCCC[C@H]1c1nc(C2CCC2)no1 ZINC000643934728 385295645 /nfs/dbraw/zinc/29/56/45/385295645.db2.gz KNGWMHQYZOTFEX-MWLCHTKSSA-N 0 0 220.316 3.631 20 0 BHADRN C[C@H]1CCCC[C@@H]1c1nc(C2CCC2)no1 ZINC000643934729 385297826 /nfs/dbraw/zinc/29/78/26/385297826.db2.gz KNGWMHQYZOTFEX-ONGXEEELSA-N 0 0 220.316 3.631 20 0 BHADRN Cc1ccc(NC(=O)CCCC2CC2)c(C)c1O ZINC000644025465 385387785 /nfs/dbraw/zinc/38/77/85/385387785.db2.gz OXBOQSSRAYUZIS-UHFFFAOYSA-N 0 0 247.338 3.528 20 0 BHADRN Cc1cc(C)c(NC(=O)CCCC2CC2)cc1O ZINC000644063137 385411571 /nfs/dbraw/zinc/41/15/71/385411571.db2.gz NHINIYJVDCYQPA-UHFFFAOYSA-N 0 0 247.338 3.528 20 0 BHADRN CCCc1ccc(C[NH2+]Cc2occc2C)cc1 ZINC000644431094 384871541 /nfs/dbraw/zinc/87/15/41/384871541.db2.gz RXWWJWJYXCRGML-UHFFFAOYSA-N 0 0 243.350 3.830 20 0 BHADRN C=C/C(C)=C\CC(=O)N(CC)C(CC)CC ZINC000644533764 384942419 /nfs/dbraw/zinc/94/24/19/384942419.db2.gz ZCQQOGCOUOBJJI-BENRWUELSA-N 0 0 223.360 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)N(CC)C(CC)CC ZINC000644533765 384942643 /nfs/dbraw/zinc/94/26/43/384942643.db2.gz ZCQQOGCOUOBJJI-ZRDIBKRKSA-N 0 0 223.360 3.546 20 0 BHADRN CCc1c(N[C@@H]2C[C@@H](C)[C@@H]2C)cnn1CC(C)C ZINC000644541286 384947087 /nfs/dbraw/zinc/94/70/87/384947087.db2.gz HIFPITUYUOMJFA-FRRDWIJNSA-N 0 0 249.402 3.558 20 0 BHADRN CCc1c(N[C@@H]2C[C@@H](C)[C@H]2C)cnn1CC(C)C ZINC000644541291 384948676 /nfs/dbraw/zinc/94/86/76/384948676.db2.gz HIFPITUYUOMJFA-JHJVBQTASA-N 0 0 249.402 3.558 20 0 BHADRN CCc1c(N[C@@H]2C[C@H](C)[C@@H]2C)cnn1CC(C)C ZINC000644541293 384947641 /nfs/dbraw/zinc/94/76/41/384947641.db2.gz HIFPITUYUOMJFA-RWMBFGLXSA-N 0 0 249.402 3.558 20 0 BHADRN CCc1c(N[C@@H]2C[C@H](C)[C@H]2C)cnn1CC(C)C ZINC000644541294 384948524 /nfs/dbraw/zinc/94/85/24/384948524.db2.gz HIFPITUYUOMJFA-YNEHKIRRSA-N 0 0 249.402 3.558 20 0 BHADRN CCC[C@@H](C)NC(=O)c1coc2c1cccc2C ZINC000644561075 384960366 /nfs/dbraw/zinc/96/03/66/384960366.db2.gz BWKVVOFAGMWYKY-LLVKDONJSA-N 0 0 245.322 3.660 20 0 BHADRN CCC[C@H](C)NC(=O)c1coc2c1cccc2C ZINC000644561086 384961201 /nfs/dbraw/zinc/96/12/01/384961201.db2.gz BWKVVOFAGMWYKY-NSHDSACASA-N 0 0 245.322 3.660 20 0 BHADRN CCC[C@@H](C)NC(=O)c1cc(C)ccc1C1CC1 ZINC000644561306 384960741 /nfs/dbraw/zinc/96/07/41/384960741.db2.gz KBDPTAZRGCWCHR-GFCCVEGCSA-N 0 0 245.366 3.791 20 0 BHADRN CCC[C@H](C)NC(=O)c1cc(C)ccc1C1CC1 ZINC000644561307 384959746 /nfs/dbraw/zinc/95/97/46/384959746.db2.gz KBDPTAZRGCWCHR-LBPRGKRZSA-N 0 0 245.366 3.791 20 0 BHADRN CC(C)c1ccoc1-c1noc([C@@H]2C[C@H]2C)n1 ZINC000644587106 384986213 /nfs/dbraw/zinc/98/62/13/384986213.db2.gz IBBPCEBFEXFXSX-PSASIEDQSA-N 0 0 232.283 3.576 20 0 BHADRN CC(C)c1ccoc1-c1noc([C@H]2C[C@H]2C)n1 ZINC000644587107 384985028 /nfs/dbraw/zinc/98/50/28/384985028.db2.gz IBBPCEBFEXFXSX-SCZZXKLOSA-N 0 0 232.283 3.576 20 0 BHADRN CC(C)c1ccoc1-c1noc([C@@H]2C[C@@H]2C)n1 ZINC000644587108 384986202 /nfs/dbraw/zinc/98/62/02/384986202.db2.gz IBBPCEBFEXFXSX-WCBMZHEXSA-N 0 0 232.283 3.576 20 0 BHADRN CC(C)c1ccoc1-c1noc([C@H]2C[C@@H]2C)n1 ZINC000644587109 384986230 /nfs/dbraw/zinc/98/62/30/384986230.db2.gz IBBPCEBFEXFXSX-WPRPVWTQSA-N 0 0 232.283 3.576 20 0 BHADRN C=C/C(C)=C\CC(=O)NCC1(C)CCCCC1 ZINC000644597861 385001075 /nfs/dbraw/zinc/00/10/75/385001075.db2.gz SLSUDGHUJQQIKR-JYRVWZFOSA-N 0 0 235.371 3.595 20 0 BHADRN C=C/C(C)=C/CC(=O)NCC1(C)CCCCC1 ZINC000644597862 385000401 /nfs/dbraw/zinc/00/04/01/385000401.db2.gz SLSUDGHUJQQIKR-MDWZMJQESA-N 0 0 235.371 3.595 20 0 BHADRN Cc1cc(-c2cccc3n[nH]cc32)c(F)cc1F ZINC000644613526 385014415 /nfs/dbraw/zinc/01/44/15/385014415.db2.gz AAVZYCOBTSZAHP-UHFFFAOYSA-N 0 0 244.244 3.817 20 0 BHADRN COc1cc(C)c(-c2cc(C)ccn2)cc1C ZINC000644613559 385013379 /nfs/dbraw/zinc/01/33/79/385013379.db2.gz ARQBNYFVRYRPEU-UHFFFAOYSA-N 0 0 227.307 3.682 20 0 BHADRN CCc1ccc(-c2ccc(NC(C)=O)cc2)cc1 ZINC000644613597 385013354 /nfs/dbraw/zinc/01/33/54/385013354.db2.gz BLUUOYZKRZURSQ-UHFFFAOYSA-N 0 0 239.318 3.874 20 0 BHADRN COc1cc(C)c(-c2cccc(C)n2)cc1C ZINC000644613624 385012750 /nfs/dbraw/zinc/01/27/50/385012750.db2.gz BXUCLADCKFAMGE-UHFFFAOYSA-N 0 0 227.307 3.682 20 0 BHADRN Cn1cnc2ccc(-c3ccc4cc[nH]c4c3)cc21 ZINC000644613647 385014371 /nfs/dbraw/zinc/01/43/71/385014371.db2.gz DARBLQFAPNXPBO-UHFFFAOYSA-N 0 0 247.301 3.722 20 0 BHADRN CCOCc1ccc(-c2cccc(C)n2)cc1F ZINC000644613652 385016258 /nfs/dbraw/zinc/01/62/58/385016258.db2.gz DKQIUNXULNRTGI-UHFFFAOYSA-N 0 0 245.297 3.733 20 0 BHADRN Cc1ccsc1-c1ccc(N(C)C)cc1 ZINC000644613657 385015839 /nfs/dbraw/zinc/01/58/39/385015839.db2.gz FEAWJLHDYNQSAL-UHFFFAOYSA-N 0 0 217.337 3.790 20 0 BHADRN CCOCc1ccc(-c2cc(C)ccn2)cc1F ZINC000644613658 385016442 /nfs/dbraw/zinc/01/64/42/385016442.db2.gz FEGFFNUIUSKCBM-UHFFFAOYSA-N 0 0 245.297 3.733 20 0 BHADRN Cc1cccc(-c2ccc3ncn(C)c3c2)c1F ZINC000644613666 385016770 /nfs/dbraw/zinc/01/67/70/385016770.db2.gz GCFPYZPYISBVSG-UHFFFAOYSA-N 0 0 240.281 3.688 20 0 BHADRN Cc1cccc(-c2cc(C)c(F)cc2F)n1 ZINC000644613680 385016702 /nfs/dbraw/zinc/01/67/02/385016702.db2.gz HHOHLPSOMWSTHM-UHFFFAOYSA-N 0 0 219.234 3.644 20 0 BHADRN Cc1noc(C)c1-c1cccc2ccncc21 ZINC000644613685 385015765 /nfs/dbraw/zinc/01/57/65/385015765.db2.gz HQXGLIFYADZJLW-UHFFFAOYSA-N 0 0 224.263 3.507 20 0 BHADRN CCOCc1ccc(-c2ccnc(C)c2)cc1F ZINC000644613740 385016229 /nfs/dbraw/zinc/01/62/29/385016229.db2.gz IYWXSORBDGDQTP-UHFFFAOYSA-N 0 0 245.297 3.733 20 0 BHADRN Cc1cnccc1-c1cccc2ccncc21 ZINC000644613834 385016754 /nfs/dbraw/zinc/01/67/54/385016754.db2.gz BKABNLMBSDLKPO-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN Cc1noc(C)c1-c1ccnc2ccccc21 ZINC000644613856 385015944 /nfs/dbraw/zinc/01/59/44/385015944.db2.gz KWIGHVXZDSCPEN-UHFFFAOYSA-N 0 0 224.263 3.507 20 0 BHADRN Cc1cnccc1-c1ccnc2ccccc21 ZINC000644613859 385015282 /nfs/dbraw/zinc/01/52/82/385015282.db2.gz CQEVMPLKWFHIKT-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN COc1cc(C)c(-c2ccnc(C)c2)cc1C ZINC000644613861 385016485 /nfs/dbraw/zinc/01/64/85/385016485.db2.gz MBHNBPCXFVITSI-UHFFFAOYSA-N 0 0 227.307 3.682 20 0 BHADRN CSc1ccc(-c2cc(C)ccn2)cc1 ZINC000644613869 385016337 /nfs/dbraw/zinc/01/63/37/385016337.db2.gz DBMYNLJADYITGW-UHFFFAOYSA-N 0 0 215.321 3.779 20 0 BHADRN CCCOc1ccc(-c2ccnc(C)c2)c(F)c1 ZINC000644613878 385016520 /nfs/dbraw/zinc/01/65/20/385016520.db2.gz DHYUPGJSPHGUFT-UHFFFAOYSA-N 0 0 245.297 3.985 20 0 BHADRN CCCOc1ccc(-c2cscn2)c(F)c1 ZINC000644613893 385015543 /nfs/dbraw/zinc/01/55/43/385015543.db2.gz FBBNHJSGFGKTOV-UHFFFAOYSA-N 0 0 237.299 3.738 20 0 BHADRN Cc1cnccc1-c1ccc2cc[nH]c2c1 ZINC000644613944 385016523 /nfs/dbraw/zinc/01/65/23/385016523.db2.gz GDURIEMNLYUPDA-UHFFFAOYSA-N 0 0 208.264 3.538 20 0 BHADRN Cc1cccc(-c2ccncc2C)c1F ZINC000644613960 385016538 /nfs/dbraw/zinc/01/65/38/385016538.db2.gz GLBBCADIBYOCKP-UHFFFAOYSA-N 0 0 201.244 3.505 20 0 BHADRN Fc1cc(-c2cccc3n[nH]cc32)cc(F)c1F ZINC000644613991 385015229 /nfs/dbraw/zinc/01/52/29/385015229.db2.gz RGAJGWBEWYNRGW-UHFFFAOYSA-N 0 0 248.207 3.647 20 0 BHADRN Cc1ccnc(-c2cc(C)c(F)cc2F)c1 ZINC000644614011 385016605 /nfs/dbraw/zinc/01/66/05/385016605.db2.gz SUTKQSPZNGGJKQ-UHFFFAOYSA-N 0 0 219.234 3.644 20 0 BHADRN COc1cccc(OC)c1-c1cccc(C)c1F ZINC000644614027 385016477 /nfs/dbraw/zinc/01/64/77/385016477.db2.gz UVFGLEAAWZECMD-UHFFFAOYSA-N 0 0 246.281 3.818 20 0 BHADRN Cc1cc(-c2cc(C)c(F)cc2F)ccn1 ZINC000644614044 385016022 /nfs/dbraw/zinc/01/60/22/385016022.db2.gz VPXAWVRDZCBMHS-UHFFFAOYSA-N 0 0 219.234 3.644 20 0 BHADRN CN(C)c1ccc(-c2ccccc2F)cc1 ZINC000644614065 385015290 /nfs/dbraw/zinc/01/52/90/385015290.db2.gz XJRMQKKQMBSFBS-UHFFFAOYSA-N 0 0 215.271 3.559 20 0 BHADRN Cc1cnccc1-c1cccc2cnccc21 ZINC000644614068 385015258 /nfs/dbraw/zinc/01/52/58/385015258.db2.gz HMDDSXMUBLTTAT-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN Cc1noc(C)c1-c1cccc2cnccc21 ZINC000644614106 385015654 /nfs/dbraw/zinc/01/56/54/385015654.db2.gz ZSZUAFIZPZXVRP-UHFFFAOYSA-N 0 0 224.263 3.507 20 0 BHADRN CN(C)c1ccccc1-c1cccc2ccncc21 ZINC000644614121 385015557 /nfs/dbraw/zinc/01/55/57/385015557.db2.gz IYOHMZLQPMLMGB-UHFFFAOYSA-N 0 0 248.329 3.968 20 0 BHADRN Cc1cnccc1-c1cncc2ccccc21 ZINC000644614146 385016558 /nfs/dbraw/zinc/01/65/58/385016558.db2.gz JXHSMWIABNLFEK-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN Cc1cc(-c2ccc3c(c2)CCC3)ccn1 ZINC000644614183 385016045 /nfs/dbraw/zinc/01/60/45/385016045.db2.gz LVWSZJQGBXNNFL-UHFFFAOYSA-N 0 0 209.292 3.546 20 0 BHADRN Cc1cccc(-c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000644614192 385016456 /nfs/dbraw/zinc/01/64/56/385016456.db2.gz MEUURMOYTJXWAK-UHFFFAOYSA-N 0 0 239.318 3.771 20 0 BHADRN CC(C)(C)Oc1ccc(-c2cscn2)cc1 ZINC000644614201 385015351 /nfs/dbraw/zinc/01/53/51/385015351.db2.gz MWFDFSAYIDAWHF-UHFFFAOYSA-N 0 0 233.336 3.987 20 0 BHADRN CCCOc1ccc(-c2ccccc2N)c(F)c1 ZINC000644614204 385016578 /nfs/dbraw/zinc/01/65/78/385016578.db2.gz MYZCLUYHFRKYMY-UHFFFAOYSA-N 0 0 245.297 3.864 20 0 BHADRN CN(C)c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000644614212 385015790 /nfs/dbraw/zinc/01/57/90/385015790.db2.gz NJPPRXOIIJVYGV-UHFFFAOYSA-N 0 0 233.261 3.698 20 0 BHADRN CN(C)c1ccccc1-c1ccc2cc[nH]c2c1 ZINC000644614233 385016068 /nfs/dbraw/zinc/01/60/68/385016068.db2.gz OQRJMCVAIGHSFB-UHFFFAOYSA-N 0 0 236.318 3.901 20 0 BHADRN COc1cc(-c2cc(C)ccn2)ccc1Cl ZINC000644614235 385015463 /nfs/dbraw/zinc/01/54/63/385015463.db2.gz OTUBQTKOINQPAT-UHFFFAOYSA-N 0 0 233.698 3.719 20 0 BHADRN COc1cc(-c2ccnc(C)c2)ccc1Cl ZINC000644614239 385015252 /nfs/dbraw/zinc/01/52/52/385015252.db2.gz OWQIXKDTDDYCGP-UHFFFAOYSA-N 0 0 233.698 3.719 20 0 BHADRN CN(C)c1ccccc1-c1cccc2cnccc21 ZINC000644614259 385016411 /nfs/dbraw/zinc/01/64/11/385016411.db2.gz QPWBXGAYYVKQQM-UHFFFAOYSA-N 0 0 248.329 3.968 20 0 BHADRN Fc1ccc(-c2cccc3n[nH]cc32)cc1F ZINC000644614260 385015406 /nfs/dbraw/zinc/01/54/06/385015406.db2.gz QRJKWKPPMXEAPT-UHFFFAOYSA-N 0 0 230.217 3.508 20 0 BHADRN FC(F)(F)Oc1ccccc1-c1cscn1 ZINC000644614270 385015493 /nfs/dbraw/zinc/01/54/93/385015493.db2.gz QYEYUIDLYUZRBP-UHFFFAOYSA-N 0 0 245.225 3.709 20 0 BHADRN CSc1ccc(-c2cccc3n[nH]cc32)cc1 ZINC000644614286 385016610 /nfs/dbraw/zinc/01/66/10/385016610.db2.gz RTNKZPCYURRFPA-UHFFFAOYSA-N 0 0 240.331 3.952 20 0 BHADRN Cc1cccc(-c2ccc3c(c2)CCC3)n1 ZINC000644614476 385018979 /nfs/dbraw/zinc/01/89/79/385018979.db2.gz UAXASCGFQPLWII-UHFFFAOYSA-N 0 0 209.292 3.546 20 0 BHADRN CN(C)c1ccccc1-c1cncc2ccccc21 ZINC000644614502 385019194 /nfs/dbraw/zinc/01/91/94/385019194.db2.gz UQMVYBMLZMFTIL-UHFFFAOYSA-N 0 0 248.329 3.968 20 0 BHADRN CSc1ccc(-c2ccnc(C)c2)cc1 ZINC000644614574 385017587 /nfs/dbraw/zinc/01/75/87/385017587.db2.gz VVXQMGKSPXIJDU-UHFFFAOYSA-N 0 0 215.321 3.779 20 0 BHADRN Cc1ccnc(-c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000644614584 385017756 /nfs/dbraw/zinc/01/77/56/385017756.db2.gz WBKNPDNGGFCZKC-UHFFFAOYSA-N 0 0 239.318 3.771 20 0 BHADRN COc1cc(-c2cccc(C)n2)ccc1Cl ZINC000644614618 385018258 /nfs/dbraw/zinc/01/82/58/385018258.db2.gz XARBSYGUYNXFQO-UHFFFAOYSA-N 0 0 233.698 3.719 20 0 BHADRN CN(C)c1ccccc1-c1ccnc2ccccc21 ZINC000644614622 385018814 /nfs/dbraw/zinc/01/88/14/385018814.db2.gz XDRWUTWSTDCCFS-UHFFFAOYSA-N 0 0 248.329 3.968 20 0 BHADRN Cc1ccnc(-c2ccc3c(c2)CCC3)c1 ZINC000644614702 385018718 /nfs/dbraw/zinc/01/87/18/385018718.db2.gz YABYIKPTSCACCD-UHFFFAOYSA-N 0 0 209.292 3.546 20 0 BHADRN Cc1cc(-c2cnc3ccccc3c2)ccn1 ZINC000644614760 385019007 /nfs/dbraw/zinc/01/90/07/385019007.db2.gz AIBFDKMPHQMPLG-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN Clc1ccccc1-c1ccc2c(c1)OCO2 ZINC000644614799 385017709 /nfs/dbraw/zinc/01/77/09/385017709.db2.gz BDWGFMXZPWQCCX-UHFFFAOYSA-N 0 0 232.666 3.736 20 0 BHADRN CC(C)c1cccc(-c2cscn2)c1 ZINC000644614831 385017869 /nfs/dbraw/zinc/01/78/69/385017869.db2.gz DROWRPOVEIHNAH-UHFFFAOYSA-N 0 0 203.310 3.934 20 0 BHADRN Cc1cccc(-c2cnc3ccccc3c2)n1 ZINC000644614839 385018946 /nfs/dbraw/zinc/01/89/46/385018946.db2.gz GXJDNISCPNTZOC-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN COc1ccc(-c2cccc(C)c2F)cc1OC ZINC000644614841 385018964 /nfs/dbraw/zinc/01/89/64/385018964.db2.gz HDCLUWJYALHEAA-UHFFFAOYSA-N 0 0 246.281 3.818 20 0 BHADRN COc1cccc(-c2cccc(C)c2F)c1OC ZINC000644614844 385018478 /nfs/dbraw/zinc/01/84/78/385018478.db2.gz HMWTZUJCOHTXRC-UHFFFAOYSA-N 0 0 246.281 3.818 20 0 BHADRN CN(C)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000644614856 385018587 /nfs/dbraw/zinc/01/85/87/385018587.db2.gz JSGIXVRMABWPAZ-UHFFFAOYSA-N 0 0 248.329 3.968 20 0 BHADRN COc1ccccc1-c1cccc(C)c1F ZINC000644614857 385017993 /nfs/dbraw/zinc/01/79/93/385017993.db2.gz JXEKGKJVIRXAAQ-UHFFFAOYSA-N 0 0 216.255 3.810 20 0 BHADRN Clc1ccccc1-c1cccc2n[nH]cc21 ZINC000644614866 385018607 /nfs/dbraw/zinc/01/86/07/385018607.db2.gz MAUAEYONZOIPAS-UHFFFAOYSA-N 0 0 228.682 3.883 20 0 BHADRN Fc1cc(F)cc(-c2cccc3n[nH]cc32)c1 ZINC000644614878 385018414 /nfs/dbraw/zinc/01/84/14/385018414.db2.gz PIJDCSXJHUAYAZ-UHFFFAOYSA-N 0 0 230.217 3.508 20 0 BHADRN Fc1ccc(-c2cccc3n[nH]cc32)c(F)c1 ZINC000644614893 385019186 /nfs/dbraw/zinc/01/91/86/385019186.db2.gz ULJDVTOETMFMJL-UHFFFAOYSA-N 0 0 230.217 3.508 20 0 BHADRN COc1ccc(F)cc1-c1ccc(N(C)C)cc1 ZINC000644614905 385017900 /nfs/dbraw/zinc/01/79/00/385017900.db2.gz WYWOSDMZQFOWSS-UHFFFAOYSA-N 0 0 245.297 3.567 20 0 BHADRN COc1ccc(F)cc1-c1cccc(C)c1F ZINC000644614907 385018905 /nfs/dbraw/zinc/01/89/05/385018905.db2.gz XJJIGJLNVOVJRV-UHFFFAOYSA-N 0 0 234.245 3.949 20 0 BHADRN COc1ccc(F)cc1-c1ccc2cc[nH]c2c1 ZINC000644614917 385018454 /nfs/dbraw/zinc/01/84/54/385018454.db2.gz YEBKWDZYEHJXTR-UHFFFAOYSA-N 0 0 241.265 3.983 20 0 BHADRN Cc1cccc(-c2cccc(COC(C)C)c2)n1 ZINC000644614943 385018344 /nfs/dbraw/zinc/01/83/44/385018344.db2.gz AJVWHKJCNOLMND-UHFFFAOYSA-N 0 0 241.334 3.982 20 0 BHADRN Fc1ccc(OC(F)F)c(-c2cscn2)c1 ZINC000644614948 385018496 /nfs/dbraw/zinc/01/84/96/385018496.db2.gz ARCQPPAHHVEGMQ-UHFFFAOYSA-N 0 0 245.225 3.551 20 0 BHADRN Cc1cc(-c2cccc3n[nH]cc32)cs1 ZINC000644615008 385018971 /nfs/dbraw/zinc/01/89/71/385018971.db2.gz FPBUFVMJJLMJBC-UHFFFAOYSA-N 0 0 214.293 3.600 20 0 BHADRN CCOc1cccc(-c2csc(C)c2)n1 ZINC000644615021 385017799 /nfs/dbraw/zinc/01/77/99/385017799.db2.gz GLIGAVPXTARGAA-UHFFFAOYSA-N 0 0 219.309 3.517 20 0 BHADRN c1cc2cc(-c3cccc4cnccc43)cnc2[nH]1 ZINC000644615043 385018923 /nfs/dbraw/zinc/01/89/23/385018923.db2.gz FDASUGBGEVUZHQ-UHFFFAOYSA-N 0 0 245.285 3.730 20 0 BHADRN Cc1cc(-c2cccc3cccnc32)ccn1 ZINC000644615047 385018993 /nfs/dbraw/zinc/01/89/93/385018993.db2.gz GRIDDQJGOQPNBU-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN Cc1cccc(-c2ccc3c(c2)CCC3=O)c1F ZINC000644615061 385017620 /nfs/dbraw/zinc/01/76/20/385017620.db2.gz HJWJZVSBUUCMFS-UHFFFAOYSA-N 0 0 240.277 3.930 20 0 BHADRN Cc1ccc(-c2cncc3ccccc32)o1 ZINC000644615069 385018158 /nfs/dbraw/zinc/01/81/58/385018158.db2.gz INUSCRVLBZHJFL-UHFFFAOYSA-N 0 0 209.248 3.803 20 0 BHADRN CC(=O)Nc1ccc(-c2csc(C)c2)cc1 ZINC000644615079 385018200 /nfs/dbraw/zinc/01/82/00/385018200.db2.gz IANFLDSBEHOZTN-UHFFFAOYSA-N 0 0 231.320 3.682 20 0 BHADRN O=C1CCc2cc(-c3ccc4cc[nH]c4c3)ccc21 ZINC000644615099 385019034 /nfs/dbraw/zinc/01/90/34/385019034.db2.gz IOMYBRJMNQEWIC-UHFFFAOYSA-N 0 0 247.297 3.964 20 0 BHADRN CN(C)c1ccc(-c2cccc3cccnc32)cc1 ZINC000644615138 385018988 /nfs/dbraw/zinc/01/89/88/385018988.db2.gz MAAJJELYIMTOFD-UHFFFAOYSA-N 0 0 248.329 3.968 20 0 BHADRN Cc1cccc(-c2cnc3[nH]ccc3c2)c1F ZINC000644615146 385018928 /nfs/dbraw/zinc/01/89/28/385018928.db2.gz MUBJHYOKLFRCRK-UHFFFAOYSA-N 0 0 226.254 3.629 20 0 BHADRN Cc1ccnc(-c2cccc3cccnc32)c1 ZINC000644615149 385020206 /nfs/dbraw/zinc/02/02/06/385020206.db2.gz MYXSMXJBOAOUQW-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN Cc1ccc(-c2ccnc3ccccc32)o1 ZINC000644615157 385021886 /nfs/dbraw/zinc/02/18/86/385021886.db2.gz OAHMIVQDTMIQKI-UHFFFAOYSA-N 0 0 209.248 3.803 20 0 BHADRN Cc1ccc(-c2cccc3cnccc32)o1 ZINC000644615162 385021070 /nfs/dbraw/zinc/02/10/70/385021070.db2.gz OFIQYKKVCKZFOK-UHFFFAOYSA-N 0 0 209.248 3.803 20 0 BHADRN c1[nH]nc2cccc(-c3cccc4cccnc43)c12 ZINC000644615169 385022053 /nfs/dbraw/zinc/02/20/53/385022053.db2.gz PELBZOASOOZPCN-UHFFFAOYSA-N 0 0 245.285 3.778 20 0 BHADRN Cc1ccsc1-c1cccc2n[nH]cc21 ZINC000644615173 385021417 /nfs/dbraw/zinc/02/14/17/385021417.db2.gz QGZFHGUIYOVREW-UHFFFAOYSA-N 0 0 214.293 3.600 20 0 BHADRN CC(=O)Nc1ccc(-c2sccc2C)cc1 ZINC000644615188 385021726 /nfs/dbraw/zinc/02/17/26/385021726.db2.gz SGTDOMYCORLLFD-UHFFFAOYSA-N 0 0 231.320 3.682 20 0 BHADRN c1cc2ccc(-c3cnc4[nH]ccc4c3)cc2[nH]1 ZINC000644615189 385021648 /nfs/dbraw/zinc/02/16/48/385021648.db2.gz SMHQQTVYTSESJD-UHFFFAOYSA-N 0 0 233.274 3.663 20 0 BHADRN Cc1cc(-c2ccc(N(C)C)cc2)cs1 ZINC000644615221 385022074 /nfs/dbraw/zinc/02/20/74/385022074.db2.gz MMKCZBKGFAOVMQ-UHFFFAOYSA-N 0 0 217.337 3.790 20 0 BHADRN c1cc2cc(-c3cccc4ccncc43)cnc2[nH]1 ZINC000644615231 385022064 /nfs/dbraw/zinc/02/20/64/385022064.db2.gz UVFWOMDUERHTCY-UHFFFAOYSA-N 0 0 245.285 3.730 20 0 BHADRN c1ccc2c(c1)nccc2-c1ccc2c(c1)CCO2 ZINC000644615244 385020934 /nfs/dbraw/zinc/02/09/34/385020934.db2.gz BBQYFQCKIYAWLE-UHFFFAOYSA-N 0 0 247.297 3.837 20 0 BHADRN Cc1ccc(-c2cccc3ccncc32)o1 ZINC000644615245 385019820 /nfs/dbraw/zinc/01/98/20/385019820.db2.gz VXABOMRDCRYKHT-UHFFFAOYSA-N 0 0 209.248 3.803 20 0 BHADRN c1cc2cc(-c3ccnc4ccccc43)cnc2[nH]1 ZINC000644615251 385020147 /nfs/dbraw/zinc/02/01/47/385020147.db2.gz XKCSUKPOMYHXAB-UHFFFAOYSA-N 0 0 245.285 3.730 20 0 BHADRN c1cc2cc(-c3cncc4ccccc43)cnc2[nH]1 ZINC000644615277 385021992 /nfs/dbraw/zinc/02/19/92/385021992.db2.gz YRXLZGCWILPVML-UHFFFAOYSA-N 0 0 245.285 3.730 20 0 BHADRN CCOc1cccc(-c2sccc2C)n1 ZINC000644615284 385021255 /nfs/dbraw/zinc/02/12/55/385021255.db2.gz ZGWINWBNNNRQAA-UHFFFAOYSA-N 0 0 219.309 3.517 20 0 BHADRN c1cc2ccncc2c(-c2ccc3c(c2)CCO3)c1 ZINC000644615299 385020431 /nfs/dbraw/zinc/02/04/31/385020431.db2.gz ICZBIUSSGDAJLF-UHFFFAOYSA-N 0 0 247.297 3.837 20 0 BHADRN c1cc2ccc(-c3ccc4c(c3)CCO4)cc2[nH]1 ZINC000644615301 385020825 /nfs/dbraw/zinc/02/08/25/385020825.db2.gz IPPBNXNHJBPNGE-UHFFFAOYSA-N 0 0 235.286 3.770 20 0 BHADRN c1ccc2c(c1)cncc2-c1ccc2c(c1)CCO2 ZINC000644615302 385022206 /nfs/dbraw/zinc/02/22/06/385022206.db2.gz IWTFCVYYEAPXJC-UHFFFAOYSA-N 0 0 247.297 3.837 20 0 BHADRN c1cc2cnccc2c(-c2ccc3c(c2)CCO3)c1 ZINC000644615336 385022183 /nfs/dbraw/zinc/02/21/83/385022183.db2.gz UVNVIYJGTXIQJV-UHFFFAOYSA-N 0 0 247.297 3.837 20 0 BHADRN Cc1ccnc(-c2cccc(COC(C)C)c2)c1 ZINC000644615489 385020177 /nfs/dbraw/zinc/02/01/77/385020177.db2.gz OTUSEPFIFJQXAE-UHFFFAOYSA-N 0 0 241.334 3.982 20 0 BHADRN Cc1cc(-c2cccc(COC(C)C)c2)ccn1 ZINC000644615638 385020582 /nfs/dbraw/zinc/02/05/82/385020582.db2.gz UGKZKQXSHHQSGW-UHFFFAOYSA-N 0 0 241.334 3.982 20 0 BHADRN CCC(C)(CC)C(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000644617554 385008214 /nfs/dbraw/zinc/00/82/14/385008214.db2.gz JEPYNJRWCYJGGT-CYBMUJFWSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(C)(CC)C(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000644617555 385006664 /nfs/dbraw/zinc/00/66/64/385006664.db2.gz JEPYNJRWCYJGGT-ZDUSSCGKSA-N 0 0 249.398 3.604 20 0 BHADRN C=C/C(C)=C\CC(=O)N1CCC(C)(C2CC2)CC1 ZINC000644619536 385028109 /nfs/dbraw/zinc/02/81/09/385028109.db2.gz XZDCWQGPFPZAOJ-ACAGNQJTSA-N 0 0 247.382 3.548 20 0 BHADRN C=C/C(C)=C/CC(=O)N1CCC(C)(C2CC2)CC1 ZINC000644619537 385027293 /nfs/dbraw/zinc/02/72/93/385027293.db2.gz XZDCWQGPFPZAOJ-WLRTZDKTSA-N 0 0 247.382 3.548 20 0 BHADRN C=C/C(C)=C\CC(=O)N(C)[C@H](C)CCCC ZINC000644645530 385053378 /nfs/dbraw/zinc/05/33/78/385053378.db2.gz WAPQACNZDWTLFZ-KXXVWKPMSA-N 0 0 223.360 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)N(C)[C@H](C)CCCC ZINC000644645531 385053827 /nfs/dbraw/zinc/05/38/27/385053827.db2.gz WAPQACNZDWTLFZ-RSKUSDAESA-N 0 0 223.360 3.546 20 0 BHADRN C=C/C(C)=C\CC(=O)N(C)[C@@H](C)CCCC ZINC000644645532 385052564 /nfs/dbraw/zinc/05/25/64/385052564.db2.gz WAPQACNZDWTLFZ-UKVQZPPCSA-N 0 0 223.360 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)N(C)[C@@H](C)CCCC ZINC000644645533 385052436 /nfs/dbraw/zinc/05/24/36/385052436.db2.gz WAPQACNZDWTLFZ-XSNHNAGMSA-N 0 0 223.360 3.546 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)N1C2CCCC1CCC2 ZINC000644649173 385057083 /nfs/dbraw/zinc/05/70/83/385057083.db2.gz JADUGOKYHPOTOE-PPWQZUPISA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1C2CCCC1CCC2 ZINC000644649177 385056994 /nfs/dbraw/zinc/05/69/94/385056994.db2.gz JADUGOKYHPOTOE-URGYJCLVSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)N1C2CCCC1CCC2 ZINC000644649179 385055636 /nfs/dbraw/zinc/05/56/36/385055636.db2.gz JADUGOKYHPOTOE-VXGQWTEUSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N1C2CCCC1CCC2 ZINC000644649181 385054758 /nfs/dbraw/zinc/05/47/58/385054758.db2.gz JADUGOKYHPOTOE-XSCHDIRWSA-N 0 0 249.398 3.746 20 0 BHADRN CC1(C)CC(CC(=O)N2CCC3(CCC3)CC2)C1 ZINC000644685264 385104462 /nfs/dbraw/zinc/10/44/62/385104462.db2.gz RNNOQTHSTYMUAN-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@H](O)CNc1cccc(-c2cccs2)c1 ZINC000644688976 385108877 /nfs/dbraw/zinc/10/88/77/385108877.db2.gz SUIJFURMPHRREF-CYBMUJFWSA-N 0 0 247.363 3.598 20 0 BHADRN CC[C@@H](C)CC(=O)N(C)Cc1cccc(C)c1C ZINC000644696260 385117443 /nfs/dbraw/zinc/11/74/43/385117443.db2.gz DDNVYBSKVFGLGB-GFCCVEGCSA-N 0 0 247.382 3.698 20 0 BHADRN CC[C@H](C)CC(=O)N(C)Cc1cccc(C)c1C ZINC000644696266 385117350 /nfs/dbraw/zinc/11/73/50/385117350.db2.gz DDNVYBSKVFGLGB-LBPRGKRZSA-N 0 0 247.382 3.698 20 0 BHADRN CC[C@@H](O)CNc1cccc(-c2ccccc2)c1 ZINC000644702304 385118737 /nfs/dbraw/zinc/11/87/37/385118737.db2.gz YKQOBHCJFRLLNT-MRXNPFEDSA-N 0 0 241.334 3.536 20 0 BHADRN COCCCCN1CC(C)(C)Cc2ccccc21 ZINC000644717369 385136642 /nfs/dbraw/zinc/13/66/42/385136642.db2.gz ASZTUYMJWBOCJS-UHFFFAOYSA-N 0 0 247.382 3.502 20 0 BHADRN C[C@H]1CCCC[C@@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000644719518 385139028 /nfs/dbraw/zinc/13/90/28/385139028.db2.gz LUXMXVWERSQFTM-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000644719521 385139422 /nfs/dbraw/zinc/13/94/22/385139422.db2.gz LUXMXVWERSQFTM-KGLIPLIRSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H]1CCCC[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000644719523 385139465 /nfs/dbraw/zinc/13/94/65/385139465.db2.gz LUXMXVWERSQFTM-UONOGXRCSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000644719524 385139281 /nfs/dbraw/zinc/13/92/81/385139281.db2.gz LUXMXVWERSQFTM-ZIAGYGMSSA-N 0 0 249.398 3.605 20 0 BHADRN CCC(CC)(CC)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000644799092 385392076 /nfs/dbraw/zinc/39/20/76/385392076.db2.gz VYXHJTXJZFVYCV-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN C=C/C(C)=C\CC(=O)N[C@H](C)C1CCCCC1 ZINC000644801564 385409285 /nfs/dbraw/zinc/40/92/85/385409285.db2.gz MQKSBTLABIKRJL-KXXVWKPMSA-N 0 0 235.371 3.594 20 0 BHADRN C=C/C(C)=C/CC(=O)N[C@H](C)C1CCCCC1 ZINC000644801565 385408619 /nfs/dbraw/zinc/40/86/19/385408619.db2.gz MQKSBTLABIKRJL-RSKUSDAESA-N 0 0 235.371 3.594 20 0 BHADRN C=C/C(C)=C\CC(=O)N[C@@H](C)C1CCCCC1 ZINC000644801567 385409603 /nfs/dbraw/zinc/40/96/03/385409603.db2.gz MQKSBTLABIKRJL-UKVQZPPCSA-N 0 0 235.371 3.594 20 0 BHADRN C=C/C(C)=C/CC(=O)N[C@@H](C)C1CCCCC1 ZINC000644801570 385408580 /nfs/dbraw/zinc/40/85/80/385408580.db2.gz MQKSBTLABIKRJL-XSNHNAGMSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C)[C@@H]1N(C(=O)CCCC2CC2)CC12CCC2 ZINC000644807549 385460129 /nfs/dbraw/zinc/46/01/29/385460129.db2.gz VKZIKKPHWNFOSO-HNNXBMFYSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@H]1N(C(=O)CCCC2CC2)CC12CCC2 ZINC000644807550 385460906 /nfs/dbraw/zinc/46/09/06/385460906.db2.gz VKZIKKPHWNFOSO-OAHLLOKOSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@@H]1N(C(=O)C2CCCCC2)CC12CCC2 ZINC000644808251 385463506 /nfs/dbraw/zinc/46/35/06/385463506.db2.gz FVDGRAYWQVKFCH-AWEZNQCLSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@H]1N(C(=O)C2CCCCC2)CC12CCC2 ZINC000644808253 385464818 /nfs/dbraw/zinc/46/48/18/385464818.db2.gz FVDGRAYWQVKFCH-CQSZACIVSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(CC)(CC)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000644812002 385522770 /nfs/dbraw/zinc/52/27/70/385522770.db2.gz YLFCMOGXJPJFNU-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@@H](C(=O)N(C1CCC1)C1CCC1)C1CCCC1 ZINC000644830253 385707080 /nfs/dbraw/zinc/70/70/80/385707080.db2.gz IQPQGVAZEQFFGN-GFCCVEGCSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H](C(=O)N(C1CCC1)C1CCC1)C1CCCC1 ZINC000644830258 385706750 /nfs/dbraw/zinc/70/67/50/385706750.db2.gz IQPQGVAZEQFFGN-LBPRGKRZSA-N 0 0 249.398 3.746 20 0 BHADRN Cc1cc(C(=O)N(C2CCC2)C2CCC2)cs1 ZINC000644830314 385706639 /nfs/dbraw/zinc/70/66/39/385706639.db2.gz SUKMLOPXGIJLIK-UHFFFAOYSA-N 0 0 249.379 3.604 20 0 BHADRN O=C(CC1CCCCC1)N(C1CCC1)C1CCC1 ZINC000644830336 385707410 /nfs/dbraw/zinc/70/74/10/385707410.db2.gz ZBDDPWMSEINLRH-UHFFFAOYSA-N 0 0 249.398 3.890 20 0 BHADRN O=C(CCCC1CC1)N(C1CCC1)C1CCC1 ZINC000644831093 385713106 /nfs/dbraw/zinc/71/31/06/385713106.db2.gz KAFGADBLPRSSIE-UHFFFAOYSA-N 0 0 235.371 3.500 20 0 BHADRN O=C(CCC(F)F)Nc1ccccc1C(F)F ZINC000644832148 385723659 /nfs/dbraw/zinc/72/36/59/385723659.db2.gz GLDXKKDPOBUOFP-UHFFFAOYSA-N 0 0 249.207 3.608 20 0 BHADRN CCCN(CCC)C(=O)C(C)(C)C(C)(C)C ZINC000644849914 385967646 /nfs/dbraw/zinc/96/76/46/385967646.db2.gz JZWLFIPJHCEATN-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN CC[C@H](C)CCCCC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000644851031 385973018 /nfs/dbraw/zinc/97/30/18/385973018.db2.gz LURISTNLHWMOQY-FQUUOJAGSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](C)CCCCC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000644851032 385971958 /nfs/dbraw/zinc/97/19/58/385971958.db2.gz LURISTNLHWMOQY-YIYPIFLZSA-N 0 0 237.387 3.508 20 0 BHADRN C=C/C(C)=C/CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000644851300 385973938 /nfs/dbraw/zinc/97/39/38/385973938.db2.gz FQBXNQQWRCXSLL-CEOLHISLSA-N 0 0 247.382 3.594 20 0 BHADRN C=C/C(C)=C\CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000644851301 385974515 /nfs/dbraw/zinc/97/45/15/385974515.db2.gz FQBXNQQWRCXSLL-IZDYIRMOSA-N 0 0 247.382 3.594 20 0 BHADRN O=C(CCCC1CC1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000644851737 398113172 /nfs/dbraw/zinc/11/31/72/398113172.db2.gz VDQJEFSZAPSFCR-LSDHHAIUSA-N 0 0 249.398 3.652 20 0 BHADRN Cc1cccc(-c2nnc(SC3CCC3)o2)c1 ZINC000644853080 385982723 /nfs/dbraw/zinc/98/27/23/385982723.db2.gz PVJUYIVTMXTZOZ-UHFFFAOYSA-N 0 0 246.335 3.690 20 0 BHADRN c1[nH]c(SC2CCC2)nc1-c1ccccc1 ZINC000644853398 385983390 /nfs/dbraw/zinc/98/33/90/385983390.db2.gz XYZCCJKEFGSCTJ-UHFFFAOYSA-N 0 0 230.336 3.721 20 0 BHADRN CC(C)[C@H]1N(c2ncc(Cl)s2)CC1(C)C ZINC000644867978 386615910 /nfs/dbraw/zinc/61/59/10/386615910.db2.gz FYIXHJUQDUBBGU-SECBINFHSA-N 0 0 244.791 3.667 20 0 BHADRN CC(C)[C@@H]1N(c2ncc(Cl)s2)CC1(C)C ZINC000644867983 386615650 /nfs/dbraw/zinc/61/56/50/386615650.db2.gz FYIXHJUQDUBBGU-VIFPVBQESA-N 0 0 244.791 3.667 20 0 BHADRN CCC(C)(C)N(C)C(=O)NC(C)(C)C(C)(C)C ZINC000644880978 386023644 /nfs/dbraw/zinc/02/36/44/386023644.db2.gz GBSWPGQEMVBFAP-UHFFFAOYSA-N 0 0 242.407 3.641 20 0 BHADRN CC(C)CCN(C)C(=O)C(C)(C)C(C)(C)C ZINC000644885719 386162194 /nfs/dbraw/zinc/16/21/94/386162194.db2.gz HHGPZVZHOMLPOA-UHFFFAOYSA-N 0 0 227.392 3.563 20 0 BHADRN COc1cc(NCC2(C)CCC2)cc(OC)c1C ZINC000644892718 386363991 /nfs/dbraw/zinc/36/39/91/386363991.db2.gz BSZJNVCMYIDTSJ-UHFFFAOYSA-N 0 0 249.354 3.614 20 0 BHADRN Cc1ccc(-c2ccc(CN[C@@H](C)CF)o2)cc1 ZINC000644892762 386365726 /nfs/dbraw/zinc/36/57/26/386365726.db2.gz SJEOTECFKWFUPS-LBPRGKRZSA-N 0 0 247.313 3.703 20 0 BHADRN CC[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)C1CCCCC1 ZINC000644903178 398208886 /nfs/dbraw/zinc/20/88/86/398208886.db2.gz PIJWGDNUOWTSQV-ILXRZTDVSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H](NC(=O)[C@H]1C[C@@H]1C1CC1)C1CCCCC1 ZINC000644903179 398208967 /nfs/dbraw/zinc/20/89/67/398208967.db2.gz PIJWGDNUOWTSQV-QLFBSQMISA-N 0 0 249.398 3.508 20 0 BHADRN O=C(Nc1ccc(C2CC2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC000644908012 384289162 /nfs/dbraw/zinc/28/91/62/384289162.db2.gz HFBDAOATLQZHFN-CABCVRRESA-N 0 0 241.334 3.549 20 0 BHADRN CC(C)(C)C(C)(C)CNC(=O)CCCC1CC1 ZINC000644921435 386613523 /nfs/dbraw/zinc/61/35/23/386613523.db2.gz JQADQFHYDAQMGK-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H]1CC[C@H](NC(=O)CCCC2CC2)CC1 ZINC000644928748 386621925 /nfs/dbraw/zinc/62/19/25/386621925.db2.gz YBLBWTJDVLRMGE-MQMHXKEQSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CCC[C@@H](CCN2Cc3cccnc3C2)C1 ZINC000644933652 386621805 /nfs/dbraw/zinc/62/18/05/386621805.db2.gz GKMZCXPHXKMMOR-KBPBESRZSA-N 0 0 244.382 3.614 20 0 BHADRN C[C@@H]1CCC[C@@H](CCN2Cc3cccnc3C2)C1 ZINC000644933653 386619872 /nfs/dbraw/zinc/61/98/72/386619872.db2.gz GKMZCXPHXKMMOR-KGLIPLIRSA-N 0 0 244.382 3.614 20 0 BHADRN C[C@H]1CCC[C@H](CCN2Cc3cccnc3C2)C1 ZINC000644933654 386619927 /nfs/dbraw/zinc/61/99/27/386619927.db2.gz GKMZCXPHXKMMOR-UONOGXRCSA-N 0 0 244.382 3.614 20 0 BHADRN C[C@@H]1CCC[C@H](CCN2Cc3cccnc3C2)C1 ZINC000644933655 386621123 /nfs/dbraw/zinc/62/11/23/386621123.db2.gz GKMZCXPHXKMMOR-ZIAGYGMSSA-N 0 0 244.382 3.614 20 0 BHADRN CC1(C)C[C@H](c2ccccc2)N(CC(F)F)C1 ZINC000644959190 386635933 /nfs/dbraw/zinc/63/59/33/386635933.db2.gz FYLKZXYOMCPJLD-GFCCVEGCSA-N 0 0 239.309 3.725 20 0 BHADRN CC1(C)C[C@@H](c2ccccc2)N(CC(F)F)C1 ZINC000644959191 386636502 /nfs/dbraw/zinc/63/65/02/386636502.db2.gz FYLKZXYOMCPJLD-LBPRGKRZSA-N 0 0 239.309 3.725 20 0 BHADRN Cc1nc(=O)c2c(C3CCCCC3)csc2[nH]1 ZINC000644990537 386656062 /nfs/dbraw/zinc/65/60/62/386656062.db2.gz PCEDRDURQBBDOY-UHFFFAOYSA-N 0 0 248.351 3.753 20 0 BHADRN Cc1ccc(NC(=O)CC(C)(C)C2CC2)cc1F ZINC000645027492 386683692 /nfs/dbraw/zinc/68/36/92/386683692.db2.gz WJDKISXAIVBJTN-UHFFFAOYSA-N 0 0 249.329 3.899 20 0 BHADRN c1ccc(SCCC2CCOCC2)cc1 ZINC000645027865 386683203 /nfs/dbraw/zinc/68/32/03/386683203.db2.gz SGHGCCAXZPVVGF-UHFFFAOYSA-N 0 0 222.353 3.595 20 0 BHADRN Cc1cc(F)ccc1NC(=O)CC(C)(C)C1CC1 ZINC000645028573 386681684 /nfs/dbraw/zinc/68/16/84/386681684.db2.gz CMVSVVNWUFPBJY-UHFFFAOYSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1nc(S[C@@H]2CCc3ccccc32)[nH]c1C ZINC000645029846 386682983 /nfs/dbraw/zinc/68/29/83/386682983.db2.gz SXUBCQXFWGTZEP-CYBMUJFWSA-N 0 0 244.363 3.806 20 0 BHADRN Cc1nc(S[C@H]2CCc3ccccc32)[nH]c1C ZINC000645029847 386681770 /nfs/dbraw/zinc/68/17/70/386681770.db2.gz SXUBCQXFWGTZEP-ZDUSSCGKSA-N 0 0 244.363 3.806 20 0 BHADRN CC(C)(CC(=O)NCCC1=CCCCC1)C1CC1 ZINC000645030646 386679081 /nfs/dbraw/zinc/67/90/81/386679081.db2.gz UHVGHDYFDYQIKZ-UHFFFAOYSA-N 0 0 249.398 3.819 20 0 BHADRN Cc1cnccc1SCCCOC(C)(C)C ZINC000645031785 386685461 /nfs/dbraw/zinc/68/54/61/386685461.db2.gz IBUJARHEPVPUHR-UHFFFAOYSA-N 0 0 239.384 3.687 20 0 BHADRN Cc1cnccc1SC1Cc2ccccc2C1 ZINC000645031834 386684221 /nfs/dbraw/zinc/68/42/21/386684221.db2.gz ALTCEGXPOYVWKB-UHFFFAOYSA-N 0 0 241.359 3.650 20 0 BHADRN Cc1cnccc1S[C@H](C)c1ccncc1 ZINC000645031837 386684122 /nfs/dbraw/zinc/68/41/22/386684122.db2.gz DJOYZELOHWTVCV-LLVKDONJSA-N 0 0 230.336 3.638 20 0 BHADRN Cc1cnccc1S[C@@H](C)c1ccncc1 ZINC000645031838 386685381 /nfs/dbraw/zinc/68/53/81/386685381.db2.gz DJOYZELOHWTVCV-NSHDSACASA-N 0 0 230.336 3.638 20 0 BHADRN CCC[C@H](C)Nc1cncc(-c2cccs2)n1 ZINC000645032829 386684659 /nfs/dbraw/zinc/68/46/59/386684659.db2.gz ZBASPFHPCKULDC-JTQLQIEISA-N 0 0 247.367 3.806 20 0 BHADRN CCC[C@@H](C)Nc1cncc(-c2cccs2)n1 ZINC000645032830 386686582 /nfs/dbraw/zinc/68/65/82/386686582.db2.gz ZBASPFHPCKULDC-SNVBAGLBSA-N 0 0 247.367 3.806 20 0 BHADRN C[C@]1(C(=O)NCCC2CCCCC2)C[C@H]2C[C@H]2C1 ZINC000645070846 398173500 /nfs/dbraw/zinc/17/35/00/398173500.db2.gz JERPXYSYGQFJAF-FOLVSLTJSA-N 0 0 249.398 3.509 20 0 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222.353 3.701 20 0 BHADRN CC(=O)[C@@H](Sc1ccc(C)cc1)C(C)C ZINC000647114294 384244022 /nfs/dbraw/zinc/24/40/22/384244022.db2.gz DGFBKDZJUJVYDJ-ZDUSSCGKSA-N 0 0 222.353 3.701 20 0 BHADRN c1cc2c(ncnc2SCC2=CCCC2)s1 ZINC000647114480 384262665 /nfs/dbraw/zinc/26/26/65/384262665.db2.gz FMIHFJMSVNJVHU-UHFFFAOYSA-N 0 0 248.376 3.894 20 0 BHADRN CC(=O)Nc1ccc(SCC2=CCCC2)cc1 ZINC000647114934 384279475 /nfs/dbraw/zinc/27/94/75/384279475.db2.gz PHWYLCPWMFLIKU-UHFFFAOYSA-N 0 0 247.363 3.847 20 0 BHADRN CC(C)n1ccnc1SCC1=CCCC1 ZINC000647116149 384310917 /nfs/dbraw/zinc/31/09/17/384310917.db2.gz UVMRKHGLWGQZHX-UHFFFAOYSA-N 0 0 222.357 3.666 20 0 BHADRN C1=C(CSc2nncc3ccccc32)CCC1 ZINC000647116442 384320747 /nfs/dbraw/zinc/32/07/47/384320747.db2.gz FMBPZAILCPHJSR-UHFFFAOYSA-N 0 0 242.347 3.832 20 0 BHADRN CC(C)[C@H](C)Sc1nncc2ccccc21 ZINC000647116479 384321921 /nfs/dbraw/zinc/32/19/21/384321921.db2.gz MGJZUIDRVZZKSL-JTQLQIEISA-N 0 0 232.352 3.766 20 0 BHADRN CC(C)[C@@H](C)Sc1nncc2ccccc21 ZINC000647116480 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BHADRN c1ccc2c(c1)ccnc2S[C@@H]1CCCOC1 ZINC000647161766 384230741 /nfs/dbraw/zinc/23/07/41/384230741.db2.gz NAHHMMTWAMGDQV-GFCCVEGCSA-N 0 0 245.347 3.506 20 0 BHADRN c1ccc2c(c1)ccnc2S[C@H]1CCCOC1 ZINC000647161767 384231718 /nfs/dbraw/zinc/23/17/18/384231718.db2.gz NAHHMMTWAMGDQV-LBPRGKRZSA-N 0 0 245.347 3.506 20 0 BHADRN COCC[C@@H](C)Sc1nccc2ccccc21 ZINC000647161771 384231050 /nfs/dbraw/zinc/23/10/50/384231050.db2.gz NHQAHVINOGORJQ-LLVKDONJSA-N 0 0 247.363 3.752 20 0 BHADRN COCC[C@H](C)Sc1nccc2ccccc21 ZINC000647161772 384231057 /nfs/dbraw/zinc/23/10/57/384231057.db2.gz NHQAHVINOGORJQ-NSHDSACASA-N 0 0 247.363 3.752 20 0 BHADRN COCCCCSc1nccc2ccccc21 ZINC000647161781 384231890 /nfs/dbraw/zinc/23/18/90/384231890.db2.gz OIFQHRPAFBKCMY-UHFFFAOYSA-N 0 0 247.363 3.754 20 0 BHADRN CC[C@H](CSc1nccc2ccccc21)OC ZINC000647161839 384230676 /nfs/dbraw/zinc/23/06/76/384230676.db2.gz SSUXLHLAWHLQLR-GFCCVEGCSA-N 0 0 247.363 3.752 20 0 BHADRN CC[C@@H](CSc1nccc2ccccc21)OC ZINC000647161840 384230772 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226.266 3.599 20 0 BHADRN CSc1ccc(Cn2cc(C(C)C)cn2)cc1 ZINC000647163034 490296747 /nfs/dbraw/zinc/29/67/47/490296747.db2.gz LCPKDMKPDDGFBE-UHFFFAOYSA-N 0 0 246.379 3.777 20 0 BHADRN Fc1ccc(NC2CCC(F)(F)CC2)cc1F ZINC000647197437 384837580 /nfs/dbraw/zinc/83/75/80/384837580.db2.gz UKQNYPWRZGTBLY-UHFFFAOYSA-N 0 0 247.235 3.955 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc(C3CCC3)cc2)CO1 ZINC000647206897 385038804 /nfs/dbraw/zinc/03/88/04/385038804.db2.gz LDMUEMNIKMEAQW-ABAIWWIYSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc(C3CCC3)cc2)CO1 ZINC000647206898 385038823 /nfs/dbraw/zinc/03/88/23/385038823.db2.gz LDMUEMNIKMEAQW-IAQYHMDHSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@H]1C[C@H](Nc2ccc(C3CCC3)cc2)CO1 ZINC000647206899 385040847 /nfs/dbraw/zinc/04/08/47/385040847.db2.gz LDMUEMNIKMEAQW-NHYWBVRUSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@H]1C[C@@H](Nc2ccc(C3CCC3)cc2)CO1 ZINC000647206900 385041825 /nfs/dbraw/zinc/04/18/25/385041825.db2.gz LDMUEMNIKMEAQW-XHDPSFHLSA-N 0 0 231.339 3.543 20 0 BHADRN 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BHADRN CCCCc1ccc(C(=O)N2C[C@H](C)[C@H]2C)cc1 ZINC000647313630 385328109 /nfs/dbraw/zinc/32/81/09/385328109.db2.gz FVYDRICBWUIIGM-QWHCGFSZSA-N 0 0 245.366 3.510 20 0 BHADRN CCCCc1ccc(C(=O)N2C[C@H](C)[C@@H]2C)cc1 ZINC000647313631 385327343 /nfs/dbraw/zinc/32/73/43/385327343.db2.gz FVYDRICBWUIIGM-STQMWFEESA-N 0 0 245.366 3.510 20 0 BHADRN Cc1ccc(NC2CCOCC2)c(Cl)c1C ZINC000647321437 384298200 /nfs/dbraw/zinc/29/82/00/384298200.db2.gz PZIRDAOCSGACPL-UHFFFAOYSA-N 0 0 239.746 3.548 20 0 BHADRN Cc1ccc(N[C@@H]2CCCOC2)c(Cl)c1C ZINC000647321554 384301165 /nfs/dbraw/zinc/30/11/65/384301165.db2.gz XHBIRLAITWEHPE-LLVKDONJSA-N 0 0 239.746 3.548 20 0 BHADRN Cc1ccc(N[C@H]2CCCOC2)c(Cl)c1C ZINC000647321555 384300896 /nfs/dbraw/zinc/30/08/96/384300896.db2.gz XHBIRLAITWEHPE-NSHDSACASA-N 0 0 239.746 3.548 20 0 BHADRN CC[C@@H](C)Nc1cnn([C@H](C)c2ccccc2)c1 ZINC000647328127 384431390 /nfs/dbraw/zinc/43/13/90/384431390.db2.gz NCHCQDLMYZQVIJ-CHWSQXEVSA-N 0 0 243.354 3.703 20 0 BHADRN CC[C@@H](C)Nc1cnn([C@@H](C)c2ccccc2)c1 ZINC000647328128 384431791 /nfs/dbraw/zinc/43/17/91/384431791.db2.gz NCHCQDLMYZQVIJ-OLZOCXBDSA-N 0 0 243.354 3.703 20 0 BHADRN CC[C@H](C)Nc1cnn([C@H](C)c2ccccc2)c1 ZINC000647328129 384431643 /nfs/dbraw/zinc/43/16/43/384431643.db2.gz NCHCQDLMYZQVIJ-QWHCGFSZSA-N 0 0 243.354 3.703 20 0 BHADRN CC[C@H](C)Nc1cnn([C@@H](C)c2ccccc2)c1 ZINC000647328130 384430678 /nfs/dbraw/zinc/43/06/78/384430678.db2.gz NCHCQDLMYZQVIJ-STQMWFEESA-N 0 0 243.354 3.703 20 0 BHADRN CC(C)c1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000647378638 384849727 /nfs/dbraw/zinc/84/97/27/384849727.db2.gz MWCXECWCSMNJRU-VHSXEESVSA-N 0 0 222.332 3.733 20 0 BHADRN CC(C)c1ccc(-c2noc(C3(F)CC3)n2)cc1 ZINC000647379555 384852836 /nfs/dbraw/zinc/85/28/36/384852836.db2.gz TXZNDDRJUKMXMC-UHFFFAOYSA-N 0 0 246.285 3.819 20 0 BHADRN CC(C)=CCC[C@@H](C)Cc1nc(C2CC2)no1 ZINC000647381779 384856768 /nfs/dbraw/zinc/85/67/68/384856768.db2.gz SWDHNOSWIPGDBQ-LLVKDONJSA-N 0 0 234.343 3.872 20 0 BHADRN CC(C)=CCC[C@H](C)Cc1nc(C2CC2)no1 ZINC000647381780 384858274 /nfs/dbraw/zinc/85/82/74/384858274.db2.gz SWDHNOSWIPGDBQ-NSHDSACASA-N 0 0 234.343 3.872 20 0 BHADRN CC(C)CCc1noc(C2CC3(CCC3)C2)n1 ZINC000647382829 384860149 /nfs/dbraw/zinc/86/01/49/384860149.db2.gz SDAMBTSXEWLNIJ-UHFFFAOYSA-N 0 0 234.343 3.706 20 0 BHADRN C(=C/C1CCCC1)\c1nc(C2CCC2)no1 ZINC000647382963 384859095 /nfs/dbraw/zinc/85/90/95/384859095.db2.gz DAVKXDMKKHIGPE-CMDGGOBGSA-N 0 0 218.300 3.541 20 0 BHADRN C(=C\C1CCCC1)\c1nc(C2CCC2)no1 ZINC000647382964 384860275 /nfs/dbraw/zinc/86/02/75/384860275.db2.gz DAVKXDMKKHIGPE-HJWRWDBZSA-N 0 0 218.300 3.541 20 0 BHADRN CC(C)(C)C[C@@H]1C[C@H]1c1nc(C2CCC2)no1 ZINC000647382990 384860665 /nfs/dbraw/zinc/86/06/65/384860665.db2.gz GCQPYYQTIYSTEY-WDEREUQCSA-N 0 0 234.343 3.877 20 0 BHADRN CC1=C(C)C[C@H](c2nc(C3CCC3)no2)CC1 ZINC000647383093 384860072 /nfs/dbraw/zinc/86/00/72/384860072.db2.gz RAVWFXKLAJUNQB-GFCCVEGCSA-N 0 0 232.327 3.941 20 0 BHADRN CC1=C(C)C[C@@H](c2nc(C3CCC3)no2)CC1 ZINC000647383094 384858932 /nfs/dbraw/zinc/85/89/32/384858932.db2.gz RAVWFXKLAJUNQB-LBPRGKRZSA-N 0 0 232.327 3.941 20 0 BHADRN CC(C)(C)C[C@@H]1C[C@H]1c1nc(CC2CC2)no1 ZINC000647383165 384858663 /nfs/dbraw/zinc/85/86/63/384858663.db2.gz YTXYZNDVNORWMC-WDEREUQCSA-N 0 0 234.343 3.562 20 0 BHADRN FC1(c2nc(CCC3CCCCC3)no2)CC1 ZINC000647390417 384875007 /nfs/dbraw/zinc/87/50/07/384875007.db2.gz WDSIYFQEEXARDC-UHFFFAOYSA-N 0 0 238.306 3.541 20 0 BHADRN C[C@@H]1C[C@H]1c1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000647395958 384886713 /nfs/dbraw/zinc/88/67/13/384886713.db2.gz ANLRAOYPTOMMID-LMLFDSFASA-N 0 0 234.343 3.733 20 0 BHADRN C[C@H]1C[C@H]1c1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000647395959 384887634 /nfs/dbraw/zinc/88/76/34/384887634.db2.gz ANLRAOYPTOMMID-UKKRHICBSA-N 0 0 234.343 3.733 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000647395960 384888123 /nfs/dbraw/zinc/88/81/23/384888123.db2.gz ANLRAOYPTOMMID-VPOLOUISSA-N 0 0 234.343 3.733 20 0 BHADRN C[C@H]1C[C@@H]1c1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000647395961 384887520 /nfs/dbraw/zinc/88/75/20/384887520.db2.gz ANLRAOYPTOMMID-XWLWVQCSSA-N 0 0 234.343 3.733 20 0 BHADRN C[C@@H](c1noc(/C=C\C2CCCC2)n1)C1CC1 ZINC000647397410 384890035 /nfs/dbraw/zinc/89/00/35/384890035.db2.gz AXHGEARPQMFVJE-ABRRARGCSA-N 0 0 232.327 3.787 20 0 BHADRN C[C@H](c1noc(/C=C\C2CCCC2)n1)C1CC1 ZINC000647397411 384890144 /nfs/dbraw/zinc/89/01/44/384890144.db2.gz AXHGEARPQMFVJE-MBACFSSFSA-N 0 0 232.327 3.787 20 0 BHADRN C[C@@H](c1noc(/C=C/C2CCCC2)n1)C1CC1 ZINC000647397412 384891469 /nfs/dbraw/zinc/89/14/69/384891469.db2.gz AXHGEARPQMFVJE-OLKPEBQYSA-N 0 0 232.327 3.787 20 0 BHADRN C[C@H](c1noc(/C=C/C2CCCC2)n1)C1CC1 ZINC000647397413 384889152 /nfs/dbraw/zinc/88/91/52/384889152.db2.gz AXHGEARPQMFVJE-ZKXNXJMVSA-N 0 0 232.327 3.787 20 0 BHADRN CC(C)(C)C[C@@H]1C[C@H]1c1nc(-c2ccoc2)no1 ZINC000647399277 384894294 /nfs/dbraw/zinc/89/42/94/384894294.db2.gz LATULXMARMSVNX-WDEREUQCSA-N 0 0 246.310 3.869 20 0 BHADRN C(=C/C1CCCC1)\c1nc(-c2ccoc2)no1 ZINC000647399301 384892268 /nfs/dbraw/zinc/89/22/68/384892268.db2.gz PUJRCXKCKYZREK-AATRIKPKSA-N 0 0 230.267 3.533 20 0 BHADRN C(=C\C1CCCC1)\c1nc(-c2ccoc2)no1 ZINC000647399302 384892190 /nfs/dbraw/zinc/89/21/90/384892190.db2.gz PUJRCXKCKYZREK-WAYWQWQTSA-N 0 0 230.267 3.533 20 0 BHADRN CC1=C(C)C[C@H](c2nc(-c3ccoc3)no2)CC1 ZINC000647399322 384892495 /nfs/dbraw/zinc/89/24/95/384892495.db2.gz SRTXXVCZJFENCK-LLVKDONJSA-N 0 0 244.294 3.934 20 0 BHADRN CC1=C(C)C[C@@H](c2nc(-c3ccoc3)no2)CC1 ZINC000647399323 384893886 /nfs/dbraw/zinc/89/38/86/384893886.db2.gz SRTXXVCZJFENCK-NSHDSACASA-N 0 0 244.294 3.934 20 0 BHADRN CC1(C)CCC(c2noc(C3(F)CC3)n2)CC1 ZINC000647402283 384893555 /nfs/dbraw/zinc/89/35/55/384893555.db2.gz KMQSTMSSEGISBA-UHFFFAOYSA-N 0 0 238.306 3.712 20 0 BHADRN CC[C@@H]1CCCC[C@H]1c1noc(C2(F)CC2)n1 ZINC000647406413 384897366 /nfs/dbraw/zinc/89/73/66/384897366.db2.gz RSXUAKASEPYITG-NXEZZACHSA-N 0 0 238.306 3.712 20 0 BHADRN CC[C@H]1CCCC[C@@H]1c1noc(C2(F)CC2)n1 ZINC000647406414 384897831 /nfs/dbraw/zinc/89/78/31/384897831.db2.gz RSXUAKASEPYITG-UWVGGRQHSA-N 0 0 238.306 3.712 20 0 BHADRN CC[C@H]1CCCC[C@H]1c1noc(C2(F)CC2)n1 ZINC000647406415 384895968 /nfs/dbraw/zinc/89/59/68/384895968.db2.gz RSXUAKASEPYITG-VHSXEESVSA-N 0 0 238.306 3.712 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1c1noc(C2(F)CC2)n1 ZINC000647406416 384896764 /nfs/dbraw/zinc/89/67/64/384896764.db2.gz RSXUAKASEPYITG-ZJUUUORDSA-N 0 0 238.306 3.712 20 0 BHADRN CC(C)(C)C[C@@H]1C[C@H]1c1nc(C2(C)CC2)no1 ZINC000647408273 384898509 /nfs/dbraw/zinc/89/85/09/384898509.db2.gz UUDIBTRDEQNPBL-VHSXEESVSA-N 0 0 234.343 3.661 20 0 BHADRN CC[C@@H](C)Sc1ccc(-c2noc(C)n2)cc1 ZINC000647416132 384962689 /nfs/dbraw/zinc/96/26/89/384962689.db2.gz IMQGHRAICAMYNU-SECBINFHSA-N 0 0 248.351 3.936 20 0 BHADRN CC[C@H](C)Sc1ccc(-c2noc(C)n2)cc1 ZINC000647416133 384961914 /nfs/dbraw/zinc/96/19/14/384961914.db2.gz IMQGHRAICAMYNU-VIFPVBQESA-N 0 0 248.351 3.936 20 0 BHADRN CCCCN(C(=O)C(C)C)[C@H]1CCC[C@H](C)C1 ZINC000647419312 384967116 /nfs/dbraw/zinc/96/71/16/384967116.db2.gz WWYMVWZFUBHQSH-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCN(C(=O)C(C)C)[C@H]1CCC[C@@H](C)C1 ZINC000647419313 384966144 /nfs/dbraw/zinc/96/61/44/384966144.db2.gz WWYMVWZFUBHQSH-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCN(C(=O)C(C)C)[C@@H]1CCC[C@H](C)C1 ZINC000647419314 384965201 /nfs/dbraw/zinc/96/52/01/384965201.db2.gz WWYMVWZFUBHQSH-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCN(C(=O)C(C)C)[C@@H]1CCC[C@@H](C)C1 ZINC000647419315 384966461 /nfs/dbraw/zinc/96/64/61/384966461.db2.gz WWYMVWZFUBHQSH-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(CCCC)C(=O)[C@H]1C[C@@H]1C ZINC000647430244 384972295 /nfs/dbraw/zinc/97/22/95/384972295.db2.gz YXAXKNNSEKEGHJ-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](C)N(CCCC)C(=O)[C@H]1C[C@@H]1C ZINC000647430245 384975185 /nfs/dbraw/zinc/97/51/85/384975185.db2.gz YXAXKNNSEKEGHJ-MJBXVCDLSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(CCCC)C(=O)[C@@H]1C[C@H]1C ZINC000647430873 384974013 /nfs/dbraw/zinc/97/40/13/384974013.db2.gz YXAXKNNSEKEGHJ-HZSPNIEDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@@H](C)N(CCCC)C(=O)[C@@H]1C[C@H]1C ZINC000647430874 384974532 /nfs/dbraw/zinc/97/45/32/384974532.db2.gz YXAXKNNSEKEGHJ-MGPQQGTHSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(CCCC)C(=O)[C@@H]1C[C@@H]1C ZINC000647431527 384977987 /nfs/dbraw/zinc/97/79/87/384977987.db2.gz YXAXKNNSEKEGHJ-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC[C@H](C)N(CCCC)C(=O)[C@H]1C[C@H]1C ZINC000647431528 384977346 /nfs/dbraw/zinc/97/73/46/384977346.db2.gz YXAXKNNSEKEGHJ-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN O=C(CC1CCCCC1)N1CC[C@@H](CC2CC2)C1 ZINC000647464595 385048902 /nfs/dbraw/zinc/04/89/02/385048902.db2.gz PNUJDNBBHCAXCK-HNNXBMFYSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(CC1CCCCC1)N1CC[C@H](CC2CC2)C1 ZINC000647464596 385049903 /nfs/dbraw/zinc/04/99/03/385049903.db2.gz PNUJDNBBHCAXCK-OAHLLOKOSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C(=O)N2CC[C@@H](CC3CC3)C2)CCCC1 ZINC000647465940 385051157 /nfs/dbraw/zinc/05/11/57/385051157.db2.gz OIHQKTRXHZCGNJ-AWEZNQCLSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(C(=O)N2CC[C@H](CC3CC3)C2)CCCC1 ZINC000647465941 385051409 /nfs/dbraw/zinc/05/14/09/385051409.db2.gz OIHQKTRXHZCGNJ-CQSZACIVSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(C1=CCCCC1)N1CC(C2CCCCC2)C1 ZINC000647481712 385187513 /nfs/dbraw/zinc/18/75/13/385187513.db2.gz JMOUGGJMDMCTQQ-UHFFFAOYSA-N 0 0 247.382 3.526 20 0 BHADRN C=C/C(C)=C\CC(=O)N1CC(C2CCCCC2)C1 ZINC000647481740 385189386 /nfs/dbraw/zinc/18/93/86/385189386.db2.gz UPCNAEMGVZVJLZ-LCYFTJDESA-N 0 0 247.382 3.548 20 0 BHADRN C=C/C(C)=C/CC(=O)N1CC(C2CCCCC2)C1 ZINC000647481741 385188977 /nfs/dbraw/zinc/18/89/77/385188977.db2.gz UPCNAEMGVZVJLZ-UKTHLTGXSA-N 0 0 247.382 3.548 20 0 BHADRN CC1=C(C(=O)N2CC(C3CCCCC3)C2)CCC1 ZINC000647481879 385190676 /nfs/dbraw/zinc/19/06/76/385190676.db2.gz NGGQQMNNMSRKJO-UHFFFAOYSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(CCCC1CC1)N1CC(C2CCCCC2)C1 ZINC000647482129 385194225 /nfs/dbraw/zinc/19/42/25/385194225.db2.gz FSGPOJCCXPTFFU-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN C=C/C(C)=C\CC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000647500139 385441109 /nfs/dbraw/zinc/44/11/09/385441109.db2.gz FUWLZILNPRBENT-CUSVYIHLSA-N 0 0 247.382 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000647500140 385441191 /nfs/dbraw/zinc/44/11/91/385441191.db2.gz FUWLZILNPRBENT-DBLGQFABSA-N 0 0 247.382 3.546 20 0 BHADRN C=C/C(C)=C\CC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000647500141 385441208 /nfs/dbraw/zinc/44/12/08/385441208.db2.gz FUWLZILNPRBENT-ISESHHHUSA-N 0 0 247.382 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000647500142 385441990 /nfs/dbraw/zinc/44/19/90/385441990.db2.gz FUWLZILNPRBENT-NEKXEHSPSA-N 0 0 247.382 3.546 20 0 BHADRN CC1(C)CN(C(=O)CCCC2CC2)[C@H]2CCC[C@@H]21 ZINC000647501068 385451267 /nfs/dbraw/zinc/45/12/67/385451267.db2.gz MYFISTMFJMWECG-KBPBESRZSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CN(C(=O)CCCC2CC2)[C@H]2CCC[C@H]21 ZINC000647501069 385450863 /nfs/dbraw/zinc/45/08/63/385450863.db2.gz MYFISTMFJMWECG-KGLIPLIRSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CN(C(=O)CCCC2CC2)[C@@H]2CCC[C@@H]21 ZINC000647501070 385450555 /nfs/dbraw/zinc/45/05/55/385450555.db2.gz MYFISTMFJMWECG-UONOGXRCSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CN(C(=O)CCCC2CC2)[C@@H]2CCC[C@H]21 ZINC000647501071 385450971 /nfs/dbraw/zinc/45/09/71/385450971.db2.gz MYFISTMFJMWECG-ZIAGYGMSSA-N 0 0 249.398 3.604 20 0 BHADRN CCC1(C(=O)NCCC(C)(C)C2CC2)CCC1 ZINC000647514165 384431797 /nfs/dbraw/zinc/43/17/97/384431797.db2.gz REPIUPHFKHMTIA-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCC(C)(C)CC(=O)NCCC(C)(C)C1CC1 ZINC000647514677 384442397 /nfs/dbraw/zinc/44/23/97/384442397.db2.gz KFJGEYPIPNEHET-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H]1CC=CC[C@H]1C(=O)NCCC(C)(C)C1CC1 ZINC000647514706 384442632 /nfs/dbraw/zinc/44/26/32/384442632.db2.gz UMOAPEKTQLBTAC-TZMCWYRMSA-N 0 0 249.398 3.531 20 0 BHADRN CCC(C)(CC)C(=O)NCCC(C)(C)C1CC1 ZINC000647515845 384458223 /nfs/dbraw/zinc/45/82/23/384458223.db2.gz RIZFSJDDWZRTBH-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)(CCNC(=O)CCCC1CC1)C1CC1 ZINC000647516045 384457476 /nfs/dbraw/zinc/45/74/76/384457476.db2.gz NADSSHYSXCODDD-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@@H](C)C(=O)NC[C@H]1CCCC1(C)C ZINC000647519214 384517614 /nfs/dbraw/zinc/51/76/14/384517614.db2.gz GLGSSMSGUMBTLL-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@@H](C)C(=O)NC[C@@H]1CCCC1(C)C ZINC000647519215 384517505 /nfs/dbraw/zinc/51/75/05/384517505.db2.gz GLGSSMSGUMBTLL-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](C)C(=O)NC[C@H]1CCCC1(C)C ZINC000647519216 384516908 /nfs/dbraw/zinc/51/69/08/384516908.db2.gz GLGSSMSGUMBTLL-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](C)C(=O)NC[C@@H]1CCCC1(C)C ZINC000647519217 384517078 /nfs/dbraw/zinc/51/70/78/384517078.db2.gz GLGSSMSGUMBTLL-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CCCC1(C(=O)NC[C@H]2CCCC2(C)C)CC1 ZINC000647519231 384516532 /nfs/dbraw/zinc/51/65/32/384516532.db2.gz IKIAZNLXTWGANY-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC1(C(=O)NC[C@@H]2CCCC2(C)C)CC1 ZINC000647519232 384516367 /nfs/dbraw/zinc/51/63/67/384516367.db2.gz IKIAZNLXTWGANY-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN Cc1cccc(C(=O)NC[C@@H]2CCCC2(C)C)c1 ZINC000647519255 384516521 /nfs/dbraw/zinc/51/65/21/384516521.db2.gz MEXQMKMOJCUBOI-AWEZNQCLSA-N 0 0 245.366 3.551 20 0 BHADRN Cc1cccc(C(=O)NC[C@H]2CCCC2(C)C)c1 ZINC000647519256 384516941 /nfs/dbraw/zinc/51/69/41/384516941.db2.gz MEXQMKMOJCUBOI-CQSZACIVSA-N 0 0 245.366 3.551 20 0 BHADRN CCC(C)(C)CC(=O)NC[C@H]1CCCC1(C)C ZINC000647519878 384520966 /nfs/dbraw/zinc/52/09/66/384520966.db2.gz DOUNQKNBEKCRON-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(C)CC(=O)NC[C@@H]1CCCC1(C)C ZINC000647519879 384522866 /nfs/dbraw/zinc/52/28/66/384522866.db2.gz DOUNQKNBEKCRON-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@H]1CCCC1(C)C ZINC000647521475 384542548 /nfs/dbraw/zinc/54/25/48/384542548.db2.gz AIFJRQCDMABSBA-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@@H]1CCCC1(C)C ZINC000647521476 384543238 /nfs/dbraw/zinc/54/32/38/384543238.db2.gz AIFJRQCDMABSBA-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CC1(C)CCC[C@@H]1CNC(=O)CCCC1CC1 ZINC000647521730 384537253 /nfs/dbraw/zinc/53/72/53/384537253.db2.gz DVLAYSFACHWCGA-CYBMUJFWSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(C)CCC[C@H]1CNC(=O)CCCC1CC1 ZINC000647521731 384537606 /nfs/dbraw/zinc/53/76/06/384537606.db2.gz DVLAYSFACHWCGA-ZDUSSCGKSA-N 0 0 237.387 3.509 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NC[C@H]1CCCC1(C)C ZINC000647521795 384537740 /nfs/dbraw/zinc/53/77/40/384537740.db2.gz PJJKPKYAGXNSSV-CHWSQXEVSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NC[C@@H]1CCCC1(C)C ZINC000647521796 384536767 /nfs/dbraw/zinc/53/67/67/384536767.db2.gz PJJKPKYAGXNSSV-OLZOCXBDSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@H]1CCCC1(C)C ZINC000647521797 384536504 /nfs/dbraw/zinc/53/65/04/384536504.db2.gz PJJKPKYAGXNSSV-QWHCGFSZSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC[C@@H]1CCCC1(C)C ZINC000647521798 384537852 /nfs/dbraw/zinc/53/78/52/384537852.db2.gz PJJKPKYAGXNSSV-STQMWFEESA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)C(=O)NC[C@H]1CCCC1(C)C ZINC000647522043 384548188 /nfs/dbraw/zinc/54/81/88/384548188.db2.gz GYMWNLGPGGHLMM-GFCCVEGCSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)C(=O)NC[C@@H]1CCCC1(C)C ZINC000647522044 384548066 /nfs/dbraw/zinc/54/80/66/384548066.db2.gz GYMWNLGPGGHLMM-LBPRGKRZSA-N 0 0 239.403 3.611 20 0 BHADRN Cc1c2ccsc2nc2c1CC(F)(F)CC2 ZINC000647598372 397791521 /nfs/dbraw/zinc/79/15/21/397791521.db2.gz MJRQXBHMWPEAMY-UHFFFAOYSA-N 0 0 239.290 3.729 20 0 BHADRN Cc1cccc2nc3c(c(C)c12)CC(F)(F)CC3 ZINC000647598515 397791303 /nfs/dbraw/zinc/79/13/03/397791303.db2.gz QVJRKUOLVQTOLD-UHFFFAOYSA-N 0 0 247.288 3.976 20 0 BHADRN Cc1c2ccccc2nc2c1CC(F)(F)CC2 ZINC000647598676 397791540 /nfs/dbraw/zinc/79/15/40/397791540.db2.gz 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386213006 /nfs/dbraw/zinc/21/30/06/386213006.db2.gz OTWHWQVJLFUJFE-UHFFFAOYSA-N 0 0 220.360 3.761 20 0 BHADRN Cc1cccc(Cn2ccc(C(C)(C)C)n2)c1 ZINC000647881451 397917185 /nfs/dbraw/zinc/91/71/85/397917185.db2.gz UNWQZQIFMOXJHK-UHFFFAOYSA-N 0 0 228.339 3.537 20 0 BHADRN Cc1ccc(F)cc1Cn1ccc(C(C)(C)C)n1 ZINC000647881471 397916581 /nfs/dbraw/zinc/91/65/81/397916581.db2.gz WSDKDDAIRYCJEM-UHFFFAOYSA-N 0 0 246.329 3.676 20 0 BHADRN Cc1ccc(Cn2ccc(C(C)(C)C)n2)cc1 ZINC000647881499 386211038 /nfs/dbraw/zinc/21/10/38/386211038.db2.gz YQHBPHZKESQPGP-UHFFFAOYSA-N 0 0 228.339 3.537 20 0 BHADRN CC(C)(C)c1ccn(C/C=C/c2ccccc2)n1 ZINC000647881502 386210625 /nfs/dbraw/zinc/21/06/25/386210625.db2.gz YTNYTPDOVOPMTG-JXMROGBWSA-N 0 0 240.350 3.894 20 0 BHADRN CC(C)(C)c1ccn(C/C=C\c2ccccc2)n1 ZINC000647881503 386208546 /nfs/dbraw/zinc/20/85/46/386208546.db2.gz YTNYTPDOVOPMTG-YFHOEESVSA-N 0 0 240.350 3.894 20 0 BHADRN CCc1nc(C)c(COc2c(C)cccc2C)o1 ZINC000647883080 386238741 /nfs/dbraw/zinc/23/87/41/386238741.db2.gz 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SBZKSUBLPLUTML-UHFFFAOYSA-N 0 0 222.357 3.505 20 0 BHADRN Clc1cnc(NC2CC3(CCC3)C2)s1 ZINC000651473648 411055191 /nfs/dbraw/zinc/05/51/91/411055191.db2.gz XTJDKVGAUTXULR-UHFFFAOYSA-N 0 0 228.748 3.541 20 0 BHADRN CCCC(C)(C)C(=O)Nc1ccc(C)c(O)c1C ZINC000651511794 411076070 /nfs/dbraw/zinc/07/60/70/411076070.db2.gz UAYLSQKWNVNONF-UHFFFAOYSA-N 0 0 249.354 3.774 20 0 BHADRN COC[C@@H](CC(C)(C)C)Nc1ccccc1 ZINC000651656132 487812401 /nfs/dbraw/zinc/81/24/01/487812401.db2.gz UEALYIOQGHHCPW-CYBMUJFWSA-N 0 0 221.344 3.550 20 0 BHADRN COC[C@H](CC(C)(C)C)Nc1ccccc1 ZINC000651656133 487812408 /nfs/dbraw/zinc/81/24/08/487812408.db2.gz UEALYIOQGHHCPW-ZDUSSCGKSA-N 0 0 221.344 3.550 20 0 BHADRN CC[C@@]1(C)CCC[C@H]1Nc1ccc(CCO)cc1 ZINC000651656441 487812456 /nfs/dbraw/zinc/81/24/56/487812456.db2.gz CIAVNFPJUHRUBN-CVEARBPZSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@@]1(C)CCC[C@@H]1Nc1ccc(CCO)cc1 ZINC000651656442 487812474 /nfs/dbraw/zinc/81/24/74/487812474.db2.gz CIAVNFPJUHRUBN-HOTGVXAUSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@]1(C)CCC[C@H]1Nc1ccc(CCO)cc1 ZINC000651656443 487812585 /nfs/dbraw/zinc/81/25/85/487812585.db2.gz CIAVNFPJUHRUBN-HZPDHXFCSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@]1(C)CCC[C@@H]1Nc1ccc(CCO)cc1 ZINC000651656444 487812494 /nfs/dbraw/zinc/81/24/94/487812494.db2.gz CIAVNFPJUHRUBN-JKSUJKDBSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@H]1CCCCC[C@@H]1Nc1ccc(CCO)cc1 ZINC000651656464 487812523 /nfs/dbraw/zinc/81/25/23/487812523.db2.gz DLOVFPUWEHMNSS-BBRMVZONSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@@H]1CCCCC[C@@H]1Nc1ccc(CCO)cc1 ZINC000651656465 487812427 /nfs/dbraw/zinc/81/24/27/487812427.db2.gz DLOVFPUWEHMNSS-CJNGLKHVSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@@H]1CCCCC[C@H]1Nc1ccc(CCO)cc1 ZINC000651656466 487812435 /nfs/dbraw/zinc/81/24/35/487812435.db2.gz DLOVFPUWEHMNSS-CZUORRHYSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@H]1CCCCC[C@H]1Nc1ccc(CCO)cc1 ZINC000651656467 487812580 /nfs/dbraw/zinc/81/25/80/487812580.db2.gz DLOVFPUWEHMNSS-XJKSGUPXSA-N 0 0 247.382 3.602 20 0 BHADRN Cc1occc1CNCc1ccc(C)cc1Cl 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411139953 /nfs/dbraw/zinc/13/99/53/411139953.db2.gz RHEMYQFXRQERIO-UHFFFAOYSA-N 0 0 249.354 3.774 20 0 BHADRN C[C@@H]1CCCCC[C@@H]1Nc1cccc(CO)c1 ZINC000651780137 411143312 /nfs/dbraw/zinc/14/33/12/411143312.db2.gz ACOLZEHYMLOGMY-DOMZBBRYSA-N 0 0 233.355 3.560 20 0 BHADRN C[C@@H]1CCCCC[C@H]1Nc1cccc(CO)c1 ZINC000651780138 411143285 /nfs/dbraw/zinc/14/32/85/411143285.db2.gz ACOLZEHYMLOGMY-IUODEOHRSA-N 0 0 233.355 3.560 20 0 BHADRN C[C@H]1CCCCC[C@H]1Nc1cccc(CO)c1 ZINC000651780139 411143338 /nfs/dbraw/zinc/14/33/38/411143338.db2.gz ACOLZEHYMLOGMY-SWLSCSKDSA-N 0 0 233.355 3.560 20 0 BHADRN C[C@H]1CCCCC[C@@H]1Nc1cccc(CO)c1 ZINC000651780140 411143265 /nfs/dbraw/zinc/14/32/65/411143265.db2.gz ACOLZEHYMLOGMY-WFASDCNBSA-N 0 0 233.355 3.560 20 0 BHADRN CC[C@@]1(C)CCC[C@H]1Nc1cccc(CO)c1 ZINC000651780338 411143225 /nfs/dbraw/zinc/14/32/25/411143225.db2.gz GKXYSOIJIQNHRD-CABCVRRESA-N 0 0 233.355 3.560 20 0 BHADRN CC[C@@]1(C)CCC[C@@H]1Nc1cccc(CO)c1 ZINC000651780339 411143253 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/nfs/dbraw/zinc/83/53/55/487835355.db2.gz BWUNAFBKOLSTAH-ZFWWWQNUSA-N 0 0 247.386 3.678 20 0 BHADRN C[C@H]1CCCCC[C@@H]1Nc1cccc(CCO)c1 ZINC000651827034 411146339 /nfs/dbraw/zinc/14/63/39/411146339.db2.gz VVGFTTKEBRNXFB-BBRMVZONSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@@H]1CCCCC[C@@H]1Nc1cccc(CCO)c1 ZINC000651827035 411146260 /nfs/dbraw/zinc/14/62/60/411146260.db2.gz VVGFTTKEBRNXFB-CJNGLKHVSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@@H]1CCCCC[C@H]1Nc1cccc(CCO)c1 ZINC000651827036 411146324 /nfs/dbraw/zinc/14/63/24/411146324.db2.gz VVGFTTKEBRNXFB-CZUORRHYSA-N 0 0 247.382 3.602 20 0 BHADRN C[C@H]1CCCCC[C@H]1Nc1cccc(CCO)c1 ZINC000651827037 411146371 /nfs/dbraw/zinc/14/63/71/411146371.db2.gz VVGFTTKEBRNXFB-XJKSGUPXSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@@]1(C)CCC[C@H]1Nc1cccc(CCO)c1 ZINC000651827070 411146373 /nfs/dbraw/zinc/14/63/73/411146373.db2.gz WTQBVMYPNYHCOL-CVEARBPZSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@@]1(C)CCC[C@@H]1Nc1cccc(CCO)c1 ZINC000651827071 411146366 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ZINC000653464531 411281796 /nfs/dbraw/zinc/28/17/96/411281796.db2.gz ACXPMTLSWNNPKI-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN CCc1ccc(NCc2ccnc(C)c2)cc1 ZINC000653464683 411282438 /nfs/dbraw/zinc/28/24/38/411282438.db2.gz GUDWICZICCHABV-UHFFFAOYSA-N 0 0 226.323 3.565 20 0 BHADRN CCCc1ccccc1NCc1ccnc(C)c1 ZINC000653464841 411281759 /nfs/dbraw/zinc/28/17/59/411281759.db2.gz ITKDHALCVJEFMD-UHFFFAOYSA-N 0 0 240.350 3.955 20 0 BHADRN CCc1ccccc1NCc1ccnc(C)c1 ZINC000653464860 411281653 /nfs/dbraw/zinc/28/16/53/411281653.db2.gz JPBJREJUJFSRIQ-UHFFFAOYSA-N 0 0 226.323 3.565 20 0 BHADRN Cc1cc(CNc2cccc(C)c2C)ccn1 ZINC000653464906 411281995 /nfs/dbraw/zinc/28/19/95/411281995.db2.gz LGOSYGYKUXRBJC-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN Cc1csc([C@@H](C)Nc2cscc2C)n1 ZINC000653464998 411281888 /nfs/dbraw/zinc/28/18/88/411281888.db2.gz OTUJDHQRAFGKAU-SECBINFHSA-N 0 0 238.381 3.995 20 0 BHADRN Cc1csc([C@H](C)Nc2cscc2C)n1 ZINC000653464999 411281557 /nfs/dbraw/zinc/28/15/57/411281557.db2.gz 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Cc1cc(C)cc(NCc2ccnc(C)c2)c1 ZINC000653465255 487662852 /nfs/dbraw/zinc/66/28/52/487662852.db2.gz YOOIDGAJADLJNE-UHFFFAOYSA-N 0 0 226.323 3.619 20 0 BHADRN CCc1ccccc1N[C@H](C)[C@@H]1CCCCO1 ZINC000653465515 411283558 /nfs/dbraw/zinc/28/35/58/411283558.db2.gz DEQSEFNNHYCRAZ-DOMZBBRYSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccccc1N[C@H](C)[C@H]1CCCCO1 ZINC000653465516 411284083 /nfs/dbraw/zinc/28/40/83/411284083.db2.gz DEQSEFNNHYCRAZ-IUODEOHRSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccccc1N[C@@H](C)[C@H]1CCCCO1 ZINC000653465517 411283719 /nfs/dbraw/zinc/28/37/19/411283719.db2.gz DEQSEFNNHYCRAZ-SWLSCSKDSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccccc1N[C@@H](C)[C@@H]1CCCCO1 ZINC000653465518 411283355 /nfs/dbraw/zinc/28/33/55/411283355.db2.gz DEQSEFNNHYCRAZ-WFASDCNBSA-N 0 0 233.355 3.619 20 0 BHADRN CCSc1cccc(NCc2ncc(C)o2)c1 ZINC000653465520 411283293 /nfs/dbraw/zinc/28/32/93/411283293.db2.gz DLDMIWCVVBWRCA-UHFFFAOYSA-N 0 0 248.351 3.707 20 0 BHADRN CCc1ccc(N[C@H](C)[C@@H]2CCCCO2)cc1 ZINC000653465587 411283373 /nfs/dbraw/zinc/28/33/73/411283373.db2.gz GVMQUHYVCYRTFK-DOMZBBRYSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@H](C)[C@H]2CCCCO2)cc1 ZINC000653465588 411283308 /nfs/dbraw/zinc/28/33/08/411283308.db2.gz GVMQUHYVCYRTFK-IUODEOHRSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@H]2CCCCO2)cc1 ZINC000653465589 411283338 /nfs/dbraw/zinc/28/33/38/411283338.db2.gz GVMQUHYVCYRTFK-SWLSCSKDSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@@H](C)[C@@H]2CCCCO2)cc1 ZINC000653465590 411283240 /nfs/dbraw/zinc/28/32/40/411283240.db2.gz GVMQUHYVCYRTFK-WFASDCNBSA-N 0 0 233.355 3.619 20 0 BHADRN C[C@H](Nc1ccccc1Cl)[C@@H]1CCCCO1 ZINC000653465699 411283413 /nfs/dbraw/zinc/28/34/13/411283413.db2.gz LCIMBHWVDYSMDC-GWCFXTLKSA-N 0 0 239.746 3.710 20 0 BHADRN C[C@H](Nc1ccccc1Cl)[C@H]1CCCCO1 ZINC000653465700 411283376 /nfs/dbraw/zinc/28/33/76/411283376.db2.gz LCIMBHWVDYSMDC-GXFFZTMASA-N 0 0 239.746 3.710 20 0 BHADRN C[C@@H](Nc1ccccc1Cl)[C@@H]1CCCCO1 ZINC000653465701 411283908 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ZINC000655750086 411161969 /nfs/dbraw/zinc/16/19/69/411161969.db2.gz ZTRNWGPUCLQUSK-PSASIEDQSA-N 0 0 243.322 3.661 20 0 BHADRN C[C@@H]1CC[C@H](Nc2ccc(F)c(F)c2)CS1 ZINC000655750087 411161921 /nfs/dbraw/zinc/16/19/21/411161921.db2.gz ZTRNWGPUCLQUSK-SCZZXKLOSA-N 0 0 243.322 3.661 20 0 BHADRN C[C@H]1CC[C@@H](Nc2ccc(F)c(F)c2)CS1 ZINC000655750088 411161577 /nfs/dbraw/zinc/16/15/77/411161577.db2.gz ZTRNWGPUCLQUSK-WCBMZHEXSA-N 0 0 243.322 3.661 20 0 BHADRN C[C@H]1CC[C@H](Nc2ccc(F)c(F)c2)CS1 ZINC000655750089 411161933 /nfs/dbraw/zinc/16/19/33/411161933.db2.gz ZTRNWGPUCLQUSK-WPRPVWTQSA-N 0 0 243.322 3.661 20 0 BHADRN C[C@H]1CC[C@@H](Nc2cccc3cc[nH]c32)CS1 ZINC000655757918 411188753 /nfs/dbraw/zinc/18/87/53/411188753.db2.gz ZKPDWZFUMDWDHQ-CMPLNLGQSA-N 0 0 246.379 3.864 20 0 BHADRN C[C@H]1CC[C@H](Nc2cccc3cc[nH]c32)CS1 ZINC000655757921 411189166 /nfs/dbraw/zinc/18/91/66/411189166.db2.gz ZKPDWZFUMDWDHQ-JQWIXIFHSA-N 0 0 246.379 3.864 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cccc3cc[nH]c32)CS1 ZINC000655757923 411189240 /nfs/dbraw/zinc/18/92/40/411189240.db2.gz ZKPDWZFUMDWDHQ-PWSUYJOCSA-N 0 0 246.379 3.864 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cccc3cc[nH]c32)CS1 ZINC000655757925 411188739 /nfs/dbraw/zinc/18/87/39/411188739.db2.gz ZKPDWZFUMDWDHQ-ZYHUDNBSSA-N 0 0 246.379 3.864 20 0 BHADRN Cc1cc(NC2CCSCC2)ccc1Cl ZINC000655845801 490261917 /nfs/dbraw/zinc/26/19/17/490261917.db2.gz AMIVMXNAGYZOAL-UHFFFAOYSA-N 0 0 241.787 3.956 20 0 BHADRN Cc1cc(N[C@@H](C)c2ccnn2C)ccc1Cl ZINC000655846136 488013751 /nfs/dbraw/zinc/01/37/51/488013751.db2.gz IPEKJXLQIRVUCF-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc(N[C@H](C)c2ccnn2C)ccc1Cl ZINC000655846137 488013439 /nfs/dbraw/zinc/01/34/39/488013439.db2.gz IPEKJXLQIRVUCF-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc(N[C@@H](C)c2nccn2C)ccc1Cl ZINC000655846143 488013319 /nfs/dbraw/zinc/01/33/19/488013319.db2.gz ISZXUKONDZJCFD-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc(N[C@H](C)c2nccn2C)ccc1Cl ZINC000655846144 488013769 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244.294 3.737 20 0 BHADRN C/C(=C/c1ccco1)c1nc([C@H](C)C2CC2)no1 ZINC000655996375 488027830 /nfs/dbraw/zinc/02/78/30/488027830.db2.gz RMXNHIOEBKNCLN-HSTULFTRSA-N 0 0 244.294 3.737 20 0 BHADRN C/C(=C/c1ccco1)c1nc([C@@H](C)C2CC2)no1 ZINC000655996376 488027800 /nfs/dbraw/zinc/02/78/00/488027800.db2.gz RMXNHIOEBKNCLN-QROTZFDESA-N 0 0 244.294 3.737 20 0 BHADRN C/C(=C/c1ccco1)c1nc(CCC2CC2)no1 ZINC000655997145 488027092 /nfs/dbraw/zinc/02/70/92/488027092.db2.gz JLAACFKKTUGQPX-KTKRTIGZSA-N 0 0 244.294 3.566 20 0 BHADRN C/C(=C\c1ccco1)c1nc(CCC2CC2)no1 ZINC000655997146 488026575 /nfs/dbraw/zinc/02/65/75/488026575.db2.gz JLAACFKKTUGQPX-MDZDMXLPSA-N 0 0 244.294 3.566 20 0 BHADRN C/C(=C\c1ccco1)c1nc(C(C)(C)C)no1 ZINC000655999417 411167628 /nfs/dbraw/zinc/16/76/28/411167628.db2.gz FZKHQTQCPGMSBD-CMDGGOBGSA-N 0 0 232.283 3.521 20 0 BHADRN C/C(=C/c1ccco1)c1nc(C(C)(C)C)no1 ZINC000655999419 411167726 /nfs/dbraw/zinc/16/77/26/411167726.db2.gz FZKHQTQCPGMSBD-HJWRWDBZSA-N 0 0 232.283 3.521 20 0 BHADRN C/C(=C/c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1)C1CC1 ZINC000656045769 411170169 /nfs/dbraw/zinc/17/01/69/411170169.db2.gz XZMRMDZQKMDADR-JPEVDGFZSA-N 0 0 244.338 3.787 20 0 BHADRN C/C(=C\c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1)C1CC1 ZINC000656045771 411170017 /nfs/dbraw/zinc/17/00/17/411170017.db2.gz XZMRMDZQKMDADR-RHQFPOTISA-N 0 0 244.338 3.787 20 0 BHADRN C(=C1CCCC1)c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656045937 411169885 /nfs/dbraw/zinc/16/98/85/411169885.db2.gz ZRBQDGATPHMKMA-UPJWGTAASA-N 0 0 244.338 3.931 20 0 BHADRN C(=C1CCCC1)c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656045939 411170165 /nfs/dbraw/zinc/17/01/65/411170165.db2.gz ZRBQDGATPHMKMA-YNEHKIRRSA-N 0 0 244.338 3.931 20 0 BHADRN C1=C(c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)CCC1 ZINC000656045977 411169881 /nfs/dbraw/zinc/16/98/81/411169881.db2.gz CZHUQIOIXIHCFU-QJPTWQEYSA-N 0 0 230.311 3.541 20 0 BHADRN C1=C(c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)CCC1 ZINC000656045979 411169950 /nfs/dbraw/zinc/16/99/50/411169950.db2.gz CZHUQIOIXIHCFU-UTUOFQBUSA-N 0 0 230.311 3.541 20 0 BHADRN CC1(c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)CCCC1 ZINC000656046606 411169901 /nfs/dbraw/zinc/16/99/01/411169901.db2.gz IGJFPJVJFYPUHT-QJPTWQEYSA-N 0 0 246.354 3.805 20 0 BHADRN CC1(c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)CCCC1 ZINC000656046608 411169853 /nfs/dbraw/zinc/16/98/53/411169853.db2.gz IGJFPJVJFYPUHT-UTUOFQBUSA-N 0 0 246.354 3.805 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656046737 411170150 /nfs/dbraw/zinc/17/01/50/411170150.db2.gz BTCWXWFXQQGYJA-BNDIWNMDSA-N 0 0 246.354 3.733 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656046739 411169942 /nfs/dbraw/zinc/16/99/42/411169942.db2.gz BTCWXWFXQQGYJA-OFTGVCEQSA-N 0 0 246.354 3.733 20 0 BHADRN C(CC1CCC1)c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656046802 411169978 /nfs/dbraw/zinc/16/99/78/411169978.db2.gz JDZULKMXKTWULZ-UPJWGTAASA-N 0 0 246.354 3.706 20 0 BHADRN C(CC1CCC1)c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656046804 411169893 /nfs/dbraw/zinc/16/98/93/411169893.db2.gz JDZULKMXKTWULZ-YNEHKIRRSA-N 0 0 246.354 3.706 20 0 BHADRN Cc1cc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)co1 ZINC000656047073 411169962 /nfs/dbraw/zinc/16/99/62/411169962.db2.gz DEJONGNESVECGL-JLLWLGSASA-N 0 0 244.294 3.542 20 0 BHADRN Cc1cc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)co1 ZINC000656047074 411169849 /nfs/dbraw/zinc/16/98/49/411169849.db2.gz DEJONGNESVECGL-MVWJERBFSA-N 0 0 244.294 3.542 20 0 BHADRN C1[C@H]2CCC[C@H](c3noc([C@H]4CC45CCC5)n3)[C@@H]12 ZINC000656047161 411169756 /nfs/dbraw/zinc/16/97/56/411169756.db2.gz LWWZWRKZGUDMMD-NOOOWODRSA-N 0 0 244.338 3.631 20 0 BHADRN C1[C@H]2CCC[C@H](c3noc([C@@H]4CC45CCC5)n3)[C@@H]12 ZINC000656047162 411170162 /nfs/dbraw/zinc/17/01/62/411170162.db2.gz LWWZWRKZGUDMMD-RHYQMDGZSA-N 0 0 244.338 3.631 20 0 BHADRN C1[C@H]2CCC[C@@H](c3noc([C@H]4CC45CCC5)n3)[C@@H]12 ZINC000656047163 411169934 /nfs/dbraw/zinc/16/99/34/411169934.db2.gz LWWZWRKZGUDMMD-WISYIIOYSA-N 0 0 244.338 3.631 20 0 BHADRN C1[C@H]2CCC[C@@H](c3noc([C@@H]4CC45CCC5)n3)[C@@H]12 ZINC000656047164 411169855 /nfs/dbraw/zinc/16/98/55/411169855.db2.gz LWWZWRKZGUDMMD-WYUUTHIRSA-N 0 0 244.338 3.631 20 0 BHADRN CC1=C(c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)CCC1 ZINC000656047181 411170010 /nfs/dbraw/zinc/17/00/10/411170010.db2.gz MFTCZJAUYMCQPE-CYZMBNFOSA-N 0 0 244.338 3.931 20 0 BHADRN CC1=C(c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)CCC1 ZINC000656047183 411169889 /nfs/dbraw/zinc/16/98/89/411169889.db2.gz MFTCZJAUYMCQPE-RTXFEEFZSA-N 0 0 244.338 3.931 20 0 BHADRN CCC1(c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)CCC1 ZINC000656047468 411171048 /nfs/dbraw/zinc/17/10/48/411171048.db2.gz NWMUWDNXHHFVSR-QJPTWQEYSA-N 0 0 246.354 3.805 20 0 BHADRN CCC1(c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)CCC1 ZINC000656047470 411170818 /nfs/dbraw/zinc/17/08/18/411170818.db2.gz NWMUWDNXHHFVSR-UTUOFQBUSA-N 0 0 246.354 3.805 20 0 BHADRN CCC[C@H](C)c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656047974 411169867 /nfs/dbraw/zinc/16/98/67/411169867.db2.gz 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/nfs/dbraw/zinc/17/07/01/411170701.db2.gz ZTTZXZCATKHHFD-QJPTWQEYSA-N 0 0 246.354 3.805 20 0 BHADRN CCCC1(c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)CC1 ZINC000656048555 411171034 /nfs/dbraw/zinc/17/10/34/411171034.db2.gz ZTTZXZCATKHHFD-UTUOFQBUSA-N 0 0 246.354 3.805 20 0 BHADRN CC/C(C)=C/c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656049328 411170908 /nfs/dbraw/zinc/17/09/08/411170908.db2.gz CSFVGUQPAXGULS-MHXNSRMTSA-N 0 0 232.327 3.787 20 0 BHADRN CC/C(C)=C\c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656049330 411170655 /nfs/dbraw/zinc/17/06/55/411170655.db2.gz CSFVGUQPAXGULS-XPGRDFIHSA-N 0 0 232.327 3.787 20 0 BHADRN C1=C(c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)CCCC1 ZINC000656049452 411170621 /nfs/dbraw/zinc/17/06/21/411170621.db2.gz NBHZOFTXPVYNCW-UPJWGTAASA-N 0 0 244.338 3.931 20 0 BHADRN C1=C(c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)CCCC1 ZINC000656049454 411170643 /nfs/dbraw/zinc/17/06/43/411170643.db2.gz NBHZOFTXPVYNCW-YNEHKIRRSA-N 0 0 244.338 3.931 20 0 BHADRN C[C@@H]1CC[C@H](c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)C1 ZINC000656049936 411171023 /nfs/dbraw/zinc/17/10/23/411171023.db2.gz SCOZIODNAMUZBD-KSSYENDESA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1CC[C@H](c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)C1 ZINC000656049937 411170976 /nfs/dbraw/zinc/17/09/76/411170976.db2.gz SCOZIODNAMUZBD-LBELIVKGSA-N 0 0 246.354 3.877 20 0 BHADRN CC[C@H](C)Cc1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656050402 411170878 /nfs/dbraw/zinc/17/08/78/411170878.db2.gz ZAAAOYTVLQMQHW-NNYUYHANSA-N 0 0 234.343 3.562 20 0 BHADRN CC[C@H](C)Cc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656050403 411171051 /nfs/dbraw/zinc/17/10/51/411171051.db2.gz ZAAAOYTVLQMQHW-QCNOEVLYSA-N 0 0 234.343 3.562 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656050485 411171006 /nfs/dbraw/zinc/17/10/06/411171006.db2.gz DSLXWSKMQZWGOK-NJMOYASZSA-N 0 0 246.354 3.877 20 0 BHADRN CCC[C@@H]1C[C@H]1c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656050486 411170796 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FC(=C1CCC1)c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656051147 411171695 /nfs/dbraw/zinc/17/16/95/411171695.db2.gz LMWQNCBCGNKSPR-MXWKQRLJSA-N 0 0 248.301 3.838 20 0 BHADRN C(Cc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1)CC1CC1 ZINC000656051789 411171329 /nfs/dbraw/zinc/17/13/29/411171329.db2.gz PMHKBGOYNXWPSO-UPJWGTAASA-N 0 0 246.354 3.706 20 0 BHADRN C(Cc1nc([C@@H]2CCC[C@H]3C[C@H]32)no1)CC1CC1 ZINC000656051791 411171337 /nfs/dbraw/zinc/17/13/37/411171337.db2.gz PMHKBGOYNXWPSO-YNEHKIRRSA-N 0 0 246.354 3.706 20 0 BHADRN c1csc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)c1 ZINC000656055640 411171624 /nfs/dbraw/zinc/17/16/24/411171624.db2.gz BHGWMQPNHHNUBY-BBBLOLIVSA-N 0 0 246.335 3.702 20 0 BHADRN c1csc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)c1 ZINC000656055641 411171264 /nfs/dbraw/zinc/17/12/64/411171264.db2.gz BHGWMQPNHHNUBY-IVZWLZJFSA-N 0 0 246.335 3.702 20 0 BHADRN C/C=C/C=C\c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656055750 411171586 /nfs/dbraw/zinc/17/15/86/411171586.db2.gz 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ZINC000656057267 411171381 /nfs/dbraw/zinc/17/13/81/411171381.db2.gz GBUIWGAFJZHKAN-QJPTWQEYSA-N 0 0 234.343 3.562 20 0 BHADRN CC(C)CCc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656057269 411171697 /nfs/dbraw/zinc/17/16/97/411171697.db2.gz GBUIWGAFJZHKAN-UTUOFQBUSA-N 0 0 234.343 3.562 20 0 BHADRN Cc1ccoc1-c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656058487 411172356 /nfs/dbraw/zinc/17/23/56/411172356.db2.gz KVPRICTVYMYGPR-HBNTYKKESA-N 0 0 244.294 3.542 20 0 BHADRN Cc1ccoc1-c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656058488 411172929 /nfs/dbraw/zinc/17/29/29/411172929.db2.gz KVPRICTVYMYGPR-MXWKQRLJSA-N 0 0 244.294 3.542 20 0 BHADRN Cc1occc1-c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656060674 411171956 /nfs/dbraw/zinc/17/19/56/411171956.db2.gz OZHCPTMCPUURNC-JLLWLGSASA-N 0 0 244.294 3.542 20 0 BHADRN Cc1occc1-c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656060675 411172208 /nfs/dbraw/zinc/17/22/08/411172208.db2.gz OZHCPTMCPUURNC-MVWJERBFSA-N 0 0 244.294 3.542 20 0 BHADRN 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WAESLIZKRJYQBI-YNEHKIRRSA-N 0 0 246.354 3.706 20 0 BHADRN Cc1ncc(C)c(Oc2ccc(C)c(C)c2)n1 ZINC000656103780 411179020 /nfs/dbraw/zinc/17/90/20/411179020.db2.gz HTUISBMTTPDQGC-UHFFFAOYSA-N 0 0 228.295 3.503 20 0 BHADRN CCc1nocc1CNc1c(C)cc(C)cc1C ZINC000656115628 411181544 /nfs/dbraw/zinc/18/15/44/411181544.db2.gz RGFKCVUGSJFWFE-UHFFFAOYSA-N 0 0 244.338 3.774 20 0 BHADRN Cc1nc(CNc2ccc(C)c(Cl)c2)co1 ZINC000656115695 411181287 /nfs/dbraw/zinc/18/12/87/411181287.db2.gz VENRWYXROGNVOP-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1nc(CNc2cccc(C(F)F)c2)co1 ZINC000656115885 411181373 /nfs/dbraw/zinc/18/13/73/411181373.db2.gz IAQZLZPLGYHLFF-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN Cc1nc(CNc2ccc(C3CCC3)cc2)co1 ZINC000656118612 488050441 /nfs/dbraw/zinc/05/04/41/488050441.db2.gz UXDCKKXDAQCPPC-UHFFFAOYSA-N 0 0 242.322 3.863 20 0 BHADRN Cc1ccc(CO)cc1NCCC(C)(C)C1CC1 ZINC000656119252 488050671 /nfs/dbraw/zinc/05/06/71/488050671.db2.gz CLALRFFXGZPRJI-UHFFFAOYSA-N 0 0 247.382 3.726 20 0 BHADRN CC(=O)c1cc(NCC2=CCCC2)ccc1C ZINC000656123298 411182493 /nfs/dbraw/zinc/18/24/93/411182493.db2.gz ICHYUGZCFXYGMH-UHFFFAOYSA-N 0 0 229.323 3.720 20 0 BHADRN CC(=O)c1cc(NCCCCCF)ccc1C ZINC000656123440 411182401 /nfs/dbraw/zinc/18/24/01/411182401.db2.gz WEAXKKDVXIOLTN-UHFFFAOYSA-N 0 0 237.318 3.749 20 0 BHADRN Cc1cc(CNc2ccc(Cl)c(C)c2)no1 ZINC000656124022 411182587 /nfs/dbraw/zinc/18/25/87/411182587.db2.gz VCIAHEMITQDGMJ-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1cnc(CNc2ccc(Cl)c(C)c2)o1 ZINC000656124110 411182679 /nfs/dbraw/zinc/18/26/79/411182679.db2.gz ZTRICVRFWUZZPH-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1cc(CNc2ccc(Cl)c(C)c2)on1 ZINC000656124696 411182477 /nfs/dbraw/zinc/18/24/77/411182477.db2.gz DSFFZLHRXQFHPZ-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1nc(CNc2ccc(Cl)c(C)c2)co1 ZINC000656124727 411182718 /nfs/dbraw/zinc/18/27/18/411182718.db2.gz FZVUSKDYJUQCPV-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN Cc1cc(NCC[C@H]2CCCO2)ccc1Cl ZINC000656125068 411183377 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Cc1ccc(C)c(NCc2cc(C3CC3)no2)c1 ZINC000656638021 411313044 /nfs/dbraw/zinc/31/30/44/411313044.db2.gz VFAHQELCRRVKQC-UHFFFAOYSA-N 0 0 242.322 3.781 20 0 BHADRN Cc1cc(F)ccc1NCc1cc(C2CC2)no1 ZINC000656638523 411313177 /nfs/dbraw/zinc/31/31/77/411313177.db2.gz FKEZLUJBHALFSF-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cccc(C)c1NCC[C@@H]1CCCCO1 ZINC000656638780 411313527 /nfs/dbraw/zinc/31/35/27/411313527.db2.gz BXQQPTKHFMVVMZ-AWEZNQCLSA-N 0 0 233.355 3.675 20 0 BHADRN Cc1cccc(C)c1NCC[C@H]1CCCCO1 ZINC000656638781 411314126 /nfs/dbraw/zinc/31/41/26/411314126.db2.gz BXQQPTKHFMVVMZ-CQSZACIVSA-N 0 0 233.355 3.675 20 0 BHADRN CC[C@H](CNc1ccccc1)CC(F)F ZINC000656638796 411313580 /nfs/dbraw/zinc/31/35/80/411313580.db2.gz CDACUJUKHJUGCC-JTQLQIEISA-N 0 0 213.271 3.780 20 0 BHADRN CC[C@@H](CNc1ccccc1)CC(F)F ZINC000656638797 411314386 /nfs/dbraw/zinc/31/43/86/411314386.db2.gz CDACUJUKHJUGCC-SNVBAGLBSA-N 0 0 213.271 3.780 20 0 BHADRN Cc1ccc(NCc2cc(C3CC3)no2)cc1C ZINC000656638924 411313524 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OVQUBASQIVRALX-UHFFFAOYSA-N 0 0 242.322 3.781 20 0 BHADRN Cc1ccc(NCC[C@@H]2CCCCO2)cc1C ZINC000656639674 411313666 /nfs/dbraw/zinc/31/36/66/411313666.db2.gz UQJKUWPAZUUSQR-HNNXBMFYSA-N 0 0 233.355 3.675 20 0 BHADRN Cc1ccc(NCC[C@H]2CCCCO2)cc1C ZINC000656639675 411313937 /nfs/dbraw/zinc/31/39/37/411313937.db2.gz UQJKUWPAZUUSQR-OAHLLOKOSA-N 0 0 233.355 3.675 20 0 BHADRN Cc1ccc(F)c(NCC[C@H]2CCCCO2)c1 ZINC000656639680 411314094 /nfs/dbraw/zinc/31/40/94/411314094.db2.gz UXGNSEGJDZVFEC-GFCCVEGCSA-N 0 0 237.318 3.505 20 0 BHADRN Cc1ccc(F)c(NCC[C@@H]2CCCCO2)c1 ZINC000656639681 411313878 /nfs/dbraw/zinc/31/38/78/411313878.db2.gz UXGNSEGJDZVFEC-LBPRGKRZSA-N 0 0 237.318 3.505 20 0 BHADRN Cc1cc(C)cc(NCc2cc(C3CC3)no2)c1 ZINC000656639694 411314352 /nfs/dbraw/zinc/31/43/52/411314352.db2.gz VPOLHHPCMWNKLA-UHFFFAOYSA-N 0 0 242.322 3.781 20 0 BHADRN CC(=O)Nc1cccc(NCCCC2CCC2)c1 ZINC000656640716 411313917 /nfs/dbraw/zinc/31/39/17/411313917.db2.gz LDCGOBWIJJAXON-UHFFFAOYSA-N 0 0 246.354 3.637 20 0 BHADRN CCC(C)(C)CCNc1cccc(NC(C)=O)c1 ZINC000656640822 411314951 /nfs/dbraw/zinc/31/49/51/411314951.db2.gz NECNCTJIKPMWES-UHFFFAOYSA-N 0 0 248.370 3.883 20 0 BHADRN Cc1cc(NCc2cc(C3CC3)no2)ccc1F ZINC000656644111 411318300 /nfs/dbraw/zinc/31/83/00/411318300.db2.gz FLZXIOQIVCYEHO-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN C[C@@H](O)CCNc1cccc(-c2cccs2)c1 ZINC000656644538 411315074 /nfs/dbraw/zinc/31/50/74/411315074.db2.gz KHWXRFKLBZTLLE-LLVKDONJSA-N 0 0 247.363 3.598 20 0 BHADRN C[C@H](O)CCNc1cccc(-c2cccs2)c1 ZINC000656644539 411314647 /nfs/dbraw/zinc/31/46/47/411314647.db2.gz KHWXRFKLBZTLLE-NSHDSACASA-N 0 0 247.363 3.598 20 0 BHADRN Cc1cc(NCC[C@H]2CCCCO2)ccc1F ZINC000656644572 411315050 /nfs/dbraw/zinc/31/50/50/411315050.db2.gz KVJFOWHCGIFGAM-CYBMUJFWSA-N 0 0 237.318 3.505 20 0 BHADRN Cc1cc(NCC[C@@H]2CCCCO2)ccc1F ZINC000656644574 411315131 /nfs/dbraw/zinc/31/51/31/411315131.db2.gz KVJFOWHCGIFGAM-ZDUSSCGKSA-N 0 0 237.318 3.505 20 0 BHADRN CCC(CC)CNc1cc(C)ccc1NC(C)=O ZINC000656645056 411315174 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LHPXFXOJCSGUSX-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cccc(F)c1NCc1cc(C2CC2)no1 ZINC000656650061 411315845 /nfs/dbraw/zinc/31/58/45/411315845.db2.gz OALGHYNHNYFYRI-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN c1cc(C2CC2)ccc1NCC[C@@H]1CCCCO1 ZINC000656650185 411315980 /nfs/dbraw/zinc/31/59/80/411315980.db2.gz QIVCSOWOHFILAR-INIZCTEOSA-N 0 0 245.366 3.935 20 0 BHADRN c1cc(C2CC2)ccc1NCC[C@H]1CCCCO1 ZINC000656650186 411315901 /nfs/dbraw/zinc/31/59/01/411315901.db2.gz QIVCSOWOHFILAR-MRXNPFEDSA-N 0 0 245.366 3.935 20 0 BHADRN Cc1cccc(NCc2cc(C3CC3)no2)c1F ZINC000656650738 411315463 /nfs/dbraw/zinc/31/54/63/411315463.db2.gz XZYPYGPMGKIRGU-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN c1cc(NCCCC2CCC2)cc2c1COC2 ZINC000656650806 411315812 /nfs/dbraw/zinc/31/58/12/411315812.db2.gz ZNGPTFRCUSQZNK-UHFFFAOYSA-N 0 0 231.339 3.709 20 0 BHADRN Cc1c(F)cccc1NCC[C@H]1CCCCO1 ZINC000656650919 411316436 /nfs/dbraw/zinc/31/64/36/411316436.db2.gz YXHQHPQSQNZUJM-GFCCVEGCSA-N 0 0 237.318 3.505 20 0 BHADRN Cc1c(F)cccc1NCC[C@@H]1CCCCO1 ZINC000656650920 411316416 /nfs/dbraw/zinc/31/64/16/411316416.db2.gz YXHQHPQSQNZUJM-LBPRGKRZSA-N 0 0 237.318 3.505 20 0 BHADRN c1cc2cccc(NCC[C@H]3CCCCO3)c2[nH]1 ZINC000656651252 411316246 /nfs/dbraw/zinc/31/62/46/411316246.db2.gz QTDYWSMWDURTTH-CYBMUJFWSA-N 0 0 244.338 3.539 20 0 BHADRN c1cc2cccc(NCC[C@@H]3CCCCO3)c2[nH]1 ZINC000656651253 411316659 /nfs/dbraw/zinc/31/66/59/411316659.db2.gz QTDYWSMWDURTTH-ZDUSSCGKSA-N 0 0 244.338 3.539 20 0 BHADRN CCC(C)(C)CCNc1ccn(C(C)C)n1 ZINC000656652494 411316571 /nfs/dbraw/zinc/31/65/71/411316571.db2.gz DVAPGFLEHSTCAB-UHFFFAOYSA-N 0 0 223.364 3.702 20 0 BHADRN C[C@@H](O)CCNc1cccc(-c2ccccc2)c1 ZINC000656653181 411316661 /nfs/dbraw/zinc/31/66/61/411316661.db2.gz SETDGXFVGRENBK-CYBMUJFWSA-N 0 0 241.334 3.536 20 0 BHADRN C[C@H](O)CCNc1cccc(-c2ccccc2)c1 ZINC000656653182 411316241 /nfs/dbraw/zinc/31/62/41/411316241.db2.gz SETDGXFVGRENBK-ZDUSSCGKSA-N 0 0 241.334 3.536 20 0 BHADRN CCC(CC)CNc1ccc(F)c(C(C)=O)c1 ZINC000656653316 411316594 /nfs/dbraw/zinc/31/65/94/411316594.db2.gz LOAQTRARHUEKHH-UHFFFAOYSA-N 0 0 237.318 3.876 20 0 BHADRN CCC(C)(C)c1ccc(NCC[C@@H](C)O)cc1 ZINC000656653369 411316425 /nfs/dbraw/zinc/31/64/25/411316425.db2.gz NTCKOLPYJTUVBR-GFCCVEGCSA-N 0 0 235.371 3.557 20 0 BHADRN CCC(C)(C)c1ccc(NCC[C@H](C)O)cc1 ZINC000656653376 411316801 /nfs/dbraw/zinc/31/68/01/411316801.db2.gz NTCKOLPYJTUVBR-LBPRGKRZSA-N 0 0 235.371 3.557 20 0 BHADRN CC[C@H](CNc1ccn(C(C)C)n1)CC(F)F ZINC000656653952 411317749 /nfs/dbraw/zinc/31/77/49/411317749.db2.gz XJTRAQOXYIIBNR-JTQLQIEISA-N 0 0 245.317 3.557 20 0 BHADRN CC[C@@H](CNc1ccn(C(C)C)n1)CC(F)F ZINC000656653958 411317480 /nfs/dbraw/zinc/31/74/80/411317480.db2.gz XJTRAQOXYIIBNR-SNVBAGLBSA-N 0 0 245.317 3.557 20 0 BHADRN CSc1c(F)cccc1NCCCCF ZINC000656658565 411318236 /nfs/dbraw/zinc/31/82/36/411318236.db2.gz YTPOPCTVYRQRIE-UHFFFAOYSA-N 0 0 231.311 3.709 20 0 BHADRN CC(C)Nc1cccc2c1ccn2C(F)F ZINC000656659039 411318373 /nfs/dbraw/zinc/31/83/73/411318373.db2.gz 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COCc1ccc(NC(C)C)cc1C(F)(F)F ZINC000656665731 411319568 /nfs/dbraw/zinc/31/95/68/411319568.db2.gz PBTLMRHNWIEONL-UHFFFAOYSA-N 0 0 247.260 3.672 20 0 BHADRN CCC(CC)CNc1ccc2c(c1)CCOC2 ZINC000656665742 411319405 /nfs/dbraw/zinc/31/94/05/411319405.db2.gz PGDPPHQCXXVOIT-UHFFFAOYSA-N 0 0 233.355 3.607 20 0 BHADRN c1cc2c(cc1NCCCC1CCC1)CCOC2 ZINC000656666129 411319322 /nfs/dbraw/zinc/31/93/22/411319322.db2.gz VEYXDOHVQSFXQC-UHFFFAOYSA-N 0 0 245.366 3.752 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccc2c(c1)CCOC2 ZINC000656666244 411319239 /nfs/dbraw/zinc/31/92/39/411319239.db2.gz ZGAWIQZFPSEJCZ-GFCCVEGCSA-N 0 0 233.355 3.606 20 0 BHADRN CC(C)C[C@H](C)Nc1ccc2c(c1)CCOC2 ZINC000656666245 411319289 /nfs/dbraw/zinc/31/92/89/411319289.db2.gz ZGAWIQZFPSEJCZ-LBPRGKRZSA-N 0 0 233.355 3.606 20 0 BHADRN CC(C)(C)CCNc1ccc2c(c1)CCOC2 ZINC000656666433 411320143 /nfs/dbraw/zinc/32/01/43/411320143.db2.gz ZLIIYFFUSLCGIB-UHFFFAOYSA-N 0 0 233.355 3.607 20 0 BHADRN CC(C)(O)CCNc1ccc2c(c1)C=CCCC2 ZINC000656666468 411320339 /nfs/dbraw/zinc/32/03/39/411320339.db2.gz ATPDSFYBZKHHPM-UHFFFAOYSA-N 0 0 245.366 3.609 20 0 BHADRN c1cc(CNc2ccc3c(c2)C=CCCC3)no1 ZINC000656666469 411320867 /nfs/dbraw/zinc/32/08/67/411320867.db2.gz AVXZLTIZTJQWMS-UHFFFAOYSA-N 0 0 240.306 3.636 20 0 BHADRN COCCCCNc1ccc2c(c1)C=CCCC2 ZINC000656666679 411320706 /nfs/dbraw/zinc/32/07/06/411320706.db2.gz LIZCGQPQIMUFIP-UHFFFAOYSA-N 0 0 245.366 3.875 20 0 BHADRN OCCCCCNc1ccc2c(c1)C=CCCC2 ZINC000656666837 411320821 /nfs/dbraw/zinc/32/08/21/411320821.db2.gz RCLVKORZPAKYRA-UHFFFAOYSA-N 0 0 245.366 3.611 20 0 BHADRN CC1(C)CC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000656742760 411345066 /nfs/dbraw/zinc/34/50/66/411345066.db2.gz FBEWWMDDXKTMSC-LLVKDONJSA-N 0 0 228.295 3.640 20 0 BHADRN CC1(C)CC[C@H]1c1nc(-c2ccccc2)no1 ZINC000656742761 411345277 /nfs/dbraw/zinc/34/52/77/411345277.db2.gz FBEWWMDDXKTMSC-NSHDSACASA-N 0 0 228.295 3.640 20 0 BHADRN c1ccc(-c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)cc1 ZINC000656743259 411340984 /nfs/dbraw/zinc/34/09/84/411340984.db2.gz XWNVAVWHDXAJOV-UPJWGTAASA-N 0 0 240.306 3.640 20 0 BHADRN c1ccc(-c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)cc1 ZINC000656743261 411341348 /nfs/dbraw/zinc/34/13/48/411341348.db2.gz XWNVAVWHDXAJOV-YNEHKIRRSA-N 0 0 240.306 3.640 20 0 BHADRN C[C@@H](Cc1ccco1)c1nc(C2CCCC2)no1 ZINC000656743346 411341213 /nfs/dbraw/zinc/34/12/13/411341213.db2.gz BUMDSJYYAROXGY-JTQLQIEISA-N 0 0 246.310 3.666 20 0 BHADRN C[C@H](Cc1ccco1)c1nc(C2CCCC2)no1 ZINC000656743347 411341375 /nfs/dbraw/zinc/34/13/75/411341375.db2.gz BUMDSJYYAROXGY-SNVBAGLBSA-N 0 0 246.310 3.666 20 0 BHADRN C1[C@@H]2[C@H]1CCC[C@H]2c1nc(C2CCCC2)no1 ZINC000656743349 411341140 /nfs/dbraw/zinc/34/11/40/411341140.db2.gz BWMICDJPMDKFRQ-QJPTWQEYSA-N 0 0 232.327 3.631 20 0 BHADRN C1[C@H]2CCC[C@@H](c3nc(C4CCCC4)no3)[C@@H]12 ZINC000656743351 411341249 /nfs/dbraw/zinc/34/12/49/411341249.db2.gz BWMICDJPMDKFRQ-UTUOFQBUSA-N 0 0 232.327 3.631 20 0 BHADRN C/C(=C/c1nc(C2CCCC2)no1)c1ccco1 ZINC000656743677 411342500 /nfs/dbraw/zinc/34/25/00/411342500.db2.gz IAQSUNHORZXGLS-KTKRTIGZSA-N 0 0 244.294 3.881 20 0 BHADRN C/C(=C\c1nc(C2CCCC2)no1)c1ccco1 ZINC000656743678 411341796 /nfs/dbraw/zinc/34/17/96/411341796.db2.gz IAQSUNHORZXGLS-MDZDMXLPSA-N 0 0 244.294 3.881 20 0 BHADRN CCO[C@H](CC)c1nc(C2CCCCC2)no1 ZINC000656743778 411342393 /nfs/dbraw/zinc/34/23/93/411342393.db2.gz KHJLABGRJCDWCO-LLVKDONJSA-N 0 0 238.331 3.605 20 0 BHADRN CCO[C@@H](CC)c1nc(C2CCCCC2)no1 ZINC000656743780 411342105 /nfs/dbraw/zinc/34/21/05/411342105.db2.gz KHJLABGRJCDWCO-NSHDSACASA-N 0 0 238.331 3.605 20 0 BHADRN CC1(C)CC[C@H]1c1nc(C2CCCC2)no1 ZINC000656743824 411342306 /nfs/dbraw/zinc/34/23/06/411342306.db2.gz LECWICHDAPQFRQ-JTQLQIEISA-N 0 0 220.316 3.631 20 0 BHADRN CC1(C)CC[C@@H]1c1nc(C2CCCC2)no1 ZINC000656743826 411341955 /nfs/dbraw/zinc/34/19/55/411341955.db2.gz LECWICHDAPQFRQ-SNVBAGLBSA-N 0 0 220.316 3.631 20 0 BHADRN c1csc(-c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)c1 ZINC000656743861 411342385 /nfs/dbraw/zinc/34/23/85/411342385.db2.gz LPUVOCMOYMCAFG-BBBLOLIVSA-N 0 0 246.335 3.702 20 0 BHADRN c1csc(-c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)c1 ZINC000656743862 411342330 /nfs/dbraw/zinc/34/23/30/411342330.db2.gz LPUVOCMOYMCAFG-IVZWLZJFSA-N 0 0 246.335 3.702 20 0 BHADRN C/C(=C\c1nc(C(C)(C)C)no1)c1ccco1 ZINC000656743964 411342460 /nfs/dbraw/zinc/34/24/60/411342460.db2.gz NSLXLYNGRKMBEJ-CMDGGOBGSA-N 0 0 232.283 3.521 20 0 BHADRN C/C(=C/c1nc(C(C)(C)C)no1)c1ccco1 ZINC000656743965 411342276 /nfs/dbraw/zinc/34/22/76/411342276.db2.gz NSLXLYNGRKMBEJ-HJWRWDBZSA-N 0 0 232.283 3.521 20 0 BHADRN CCCC[C@@](C)(F)c1nc(C(C)(C)C)no1 ZINC000656744274 411342542 /nfs/dbraw/zinc/34/25/42/411342542.db2.gz VIJCNRPMVKCRSR-GFCCVEGCSA-N 0 0 228.311 3.742 20 0 BHADRN CCCC[C@](C)(F)c1nc(C(C)(C)C)no1 ZINC000656744275 411342123 /nfs/dbraw/zinc/34/21/23/411342123.db2.gz VIJCNRPMVKCRSR-LBPRGKRZSA-N 0 0 228.311 3.742 20 0 BHADRN CC[C@@H](c1nc(C2CC2)no1)c1ccc(F)cc1 ZINC000656744726 411342291 /nfs/dbraw/zinc/34/22/91/411342291.db2.gz HHXUQOCMQAPTNN-GFCCVEGCSA-N 0 0 246.285 3.628 20 0 BHADRN CC[C@H](c1nc(C2CC2)no1)c1ccc(F)cc1 ZINC000656744727 411341929 /nfs/dbraw/zinc/34/19/29/411341929.db2.gz HHXUQOCMQAPTNN-LBPRGKRZSA-N 0 0 246.285 3.628 20 0 BHADRN C1CC1c1noc(C2CC3(C2)CCCCC3)n1 ZINC000656745220 411342763 /nfs/dbraw/zinc/34/27/63/411342763.db2.gz SOUGKLWAYCWDGL-UHFFFAOYSA-N 0 0 232.327 3.775 20 0 BHADRN Cc1ccoc1Cc1nc(C2CCCCC2)no1 ZINC000656745390 411343033 /nfs/dbraw/zinc/34/30/33/411343033.db2.gz WIMZTOWAZGZWEB-UHFFFAOYSA-N 0 0 246.310 3.610 20 0 BHADRN CC1(C)CC[C@H]1c1nc(Cc2cccs2)no1 ZINC000656746905 411343169 /nfs/dbraw/zinc/34/31/69/411343169.db2.gz JBYZPNWCOSHLNP-JTQLQIEISA-N 0 0 248.351 3.626 20 0 BHADRN CC1(C)CC[C@@H]1c1nc(Cc2cccs2)no1 ZINC000656746906 411342895 /nfs/dbraw/zinc/34/28/95/411342895.db2.gz JBYZPNWCOSHLNP-SNVBAGLBSA-N 0 0 248.351 3.626 20 0 BHADRN c1cc(-c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)cs1 ZINC000656747319 411343044 /nfs/dbraw/zinc/34/30/44/411343044.db2.gz IQOHKWIGYYFPML-IEBDPFPHSA-N 0 0 246.335 3.702 20 0 BHADRN c1cc(-c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)cs1 ZINC000656747321 411342886 /nfs/dbraw/zinc/34/28/86/411342886.db2.gz IQOHKWIGYYFPML-JMJZKYOTSA-N 0 0 246.335 3.702 20 0 BHADRN CCCC[C@@](C)(F)c1nc(-c2ccccn2)no1 ZINC000656747755 411342907 /nfs/dbraw/zinc/34/29/07/411342907.db2.gz LKDDBTAXOVSVMT-CYBMUJFWSA-N 0 0 249.289 3.507 20 0 BHADRN CCCC[C@](C)(F)c1nc(-c2ccccn2)no1 ZINC000656747758 411342960 /nfs/dbraw/zinc/34/29/60/411342960.db2.gz LKDDBTAXOVSVMT-ZDUSSCGKSA-N 0 0 249.289 3.507 20 0 BHADRN CC1(C)CC[C@@H]1c1nc(Cc2ccccc2)no1 ZINC000656748418 411343053 /nfs/dbraw/zinc/34/30/53/411343053.db2.gz OGWDEDWQXFPZLT-GFCCVEGCSA-N 0 0 242.322 3.564 20 0 BHADRN CC1(C)CC[C@H]1c1nc(Cc2ccccc2)no1 ZINC000656748419 411342859 /nfs/dbraw/zinc/34/28/59/411342859.db2.gz OGWDEDWQXFPZLT-LBPRGKRZSA-N 0 0 242.322 3.564 20 0 BHADRN CCCC[C@@](C)(F)c1nc(-c2ccncc2)no1 ZINC000656748652 411343975 /nfs/dbraw/zinc/34/39/75/411343975.db2.gz AMKLMQYAFQKCJT-CYBMUJFWSA-N 0 0 249.289 3.507 20 0 BHADRN CCCC[C@](C)(F)c1nc(-c2ccncc2)no1 ZINC000656748653 411343794 /nfs/dbraw/zinc/34/37/94/411343794.db2.gz AMKLMQYAFQKCJT-ZDUSSCGKSA-N 0 0 249.289 3.507 20 0 BHADRN CCCC[C@@](C)(F)c1nc(-c2cccnc2)no1 ZINC000656748698 411344079 /nfs/dbraw/zinc/34/40/79/411344079.db2.gz PCQJGAJELAVPHW-CYBMUJFWSA-N 0 0 249.289 3.507 20 0 BHADRN CCCC[C@](C)(F)c1nc(-c2cccnc2)no1 ZINC000656748699 411343837 /nfs/dbraw/zinc/34/38/37/411343837.db2.gz PCQJGAJELAVPHW-ZDUSSCGKSA-N 0 0 249.289 3.507 20 0 BHADRN CCCC[C@@](C)(F)c1nc(CC(C)C)no1 ZINC000656748878 411343712 /nfs/dbraw/zinc/34/37/12/411343712.db2.gz YYXSQUVZCWOLAW-GFCCVEGCSA-N 0 0 228.311 3.643 20 0 BHADRN CCCC[C@](C)(F)c1nc(CC(C)C)no1 ZINC000656748879 411343831 /nfs/dbraw/zinc/34/38/31/411343831.db2.gz YYXSQUVZCWOLAW-LBPRGKRZSA-N 0 0 228.311 3.643 20 0 BHADRN CC1(C)CC[C@@H]1c1nc(-c2ccsc2)no1 ZINC000656749217 411343944 /nfs/dbraw/zinc/34/39/44/411343944.db2.gz QYEHCENQDUASAT-SECBINFHSA-N 0 0 234.324 3.702 20 0 BHADRN CC1(C)CC[C@H]1c1nc(-c2ccsc2)no1 ZINC000656749218 411343959 /nfs/dbraw/zinc/34/39/59/411343959.db2.gz QYEHCENQDUASAT-VIFPVBQESA-N 0 0 234.324 3.702 20 0 BHADRN c1cc(C2CC2)ccc1-c1nc(CC2CC2)no1 ZINC000656751163 411345046 /nfs/dbraw/zinc/34/50/46/411345046.db2.gz ITCHFSIVBHIUPG-UHFFFAOYSA-N 0 0 240.306 3.567 20 0 BHADRN C(c1noc(C2CC3(C2)CCCCC3)n1)C1CC1 ZINC000656751817 411348384 /nfs/dbraw/zinc/34/83/84/411348384.db2.gz XDXJKKALYWLAIN-UHFFFAOYSA-N 0 0 246.354 3.850 20 0 BHADRN CC(C)c1noc(-c2ccc(C3CC3)cc2)n1 ZINC000656752406 411349922 /nfs/dbraw/zinc/34/99/22/411349922.db2.gz ADRLZXJAZLKVMC-UHFFFAOYSA-N 0 0 228.295 3.737 20 0 BHADRN CCCC[C@@](C)(F)c1nc(-c2ccco2)no1 ZINC000656752644 411350295 /nfs/dbraw/zinc/35/02/95/411350295.db2.gz BXFFLXWHCWUSGV-GFCCVEGCSA-N 0 0 238.262 3.705 20 0 BHADRN CCCC[C@](C)(F)c1nc(-c2ccco2)no1 ZINC000656752645 411350301 /nfs/dbraw/zinc/35/03/01/411350301.db2.gz BXFFLXWHCWUSGV-LBPRGKRZSA-N 0 0 238.262 3.705 20 0 BHADRN CC1=CC[C@@](C)(c2nc(C(C)C)no2)CC1 ZINC000656752838 411349886 /nfs/dbraw/zinc/34/98/86/411349886.db2.gz FROPAYOCISBLEZ-CYBMUJFWSA-N 0 0 220.316 3.581 20 0 BHADRN CC1=CC[C@](C)(c2nc(C(C)C)no2)CC1 ZINC000656752839 411349431 /nfs/dbraw/zinc/34/94/31/411349431.db2.gz FROPAYOCISBLEZ-ZDUSSCGKSA-N 0 0 220.316 3.581 20 0 BHADRN CC1=CC[C@](C)(c2nc(-c3ccco3)no2)CC1 ZINC000656753233 411349532 /nfs/dbraw/zinc/34/95/32/411349532.db2.gz JLFIPCLCPPYDHC-AWEZNQCLSA-N 0 0 244.294 3.718 20 0 BHADRN CC1=CC[C@@](C)(c2nc(-c3ccco3)no2)CC1 ZINC000656753234 411349960 /nfs/dbraw/zinc/34/99/60/411349960.db2.gz JLFIPCLCPPYDHC-CQSZACIVSA-N 0 0 244.294 3.718 20 0 BHADRN CCCC[C@@](C)(F)c1nc(C(C)C)no1 ZINC000656753382 411350168 /nfs/dbraw/zinc/35/01/68/411350168.db2.gz MJOINAAMIFKWEK-LLVKDONJSA-N 0 0 214.284 3.568 20 0 BHADRN CCCC[C@](C)(F)c1nc(C(C)C)no1 ZINC000656753383 411349775 /nfs/dbraw/zinc/34/97/75/411349775.db2.gz MJOINAAMIFKWEK-NSHDSACASA-N 0 0 214.284 3.568 20 0 BHADRN CC1=CC[C@](C)(c2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000656754124 411350029 /nfs/dbraw/zinc/35/00/29/411350029.db2.gz DECBYZNATHGSFB-GYSYKLTISA-N 0 0 232.327 3.581 20 0 BHADRN CC1=CC[C@](C)(c2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000656754125 411350001 /nfs/dbraw/zinc/35/00/01/411350001.db2.gz DECBYZNATHGSFB-MJVIPROJSA-N 0 0 232.327 3.581 20 0 BHADRN CC1=CC[C@](C)(c2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000656754126 411349513 /nfs/dbraw/zinc/34/95/13/411349513.db2.gz DECBYZNATHGSFB-SUNKGSAMSA-N 0 0 232.327 3.581 20 0 BHADRN CC1=CC[C@](C)(c2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000656754127 411350275 /nfs/dbraw/zinc/35/02/75/411350275.db2.gz DECBYZNATHGSFB-WDMOLILDSA-N 0 0 232.327 3.581 20 0 BHADRN CCCC[C@](C)(F)c1nc([C@H]2C[C@@H]2C)no1 ZINC000656755253 411350612 /nfs/dbraw/zinc/35/06/12/411350612.db2.gz XICVEZOUQPUFEF-AUTRQRHGSA-N 0 0 226.295 3.568 20 0 BHADRN CCCC[C@](C)(F)c1nc([C@@H]2C[C@H]2C)no1 ZINC000656755255 411351883 /nfs/dbraw/zinc/35/18/83/411351883.db2.gz XICVEZOUQPUFEF-LNLATYFQSA-N 0 0 226.295 3.568 20 0 BHADRN CCCC[C@](C)(F)c1nc([C@H]2C[C@H]2C)no1 ZINC000656755257 411350926 /nfs/dbraw/zinc/35/09/26/411350926.db2.gz XICVEZOUQPUFEF-PTRXPTGYSA-N 0 0 226.295 3.568 20 0 BHADRN CCCC[C@](C)(F)c1nc([C@@H]2C[C@@H]2C)no1 ZINC000656755259 411351137 /nfs/dbraw/zinc/35/11/37/411351137.db2.gz XICVEZOUQPUFEF-SBMIAAHKSA-N 0 0 226.295 3.568 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(-c2ccc(C3CC3)cc2)n1 ZINC000656755333 411350958 /nfs/dbraw/zinc/35/09/58/411350958.db2.gz YIZBEUQOHKHOMR-NOZJJQNGSA-N 0 0 240.306 3.737 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(-c2ccc(C3CC3)cc2)n1 ZINC000656755334 411351934 /nfs/dbraw/zinc/35/19/34/411351934.db2.gz YIZBEUQOHKHOMR-RNCFNFMXSA-N 0 0 240.306 3.737 20 0 BHADRN C[C@H]1C[C@H]1c1noc(-c2ccc(C3CC3)cc2)n1 ZINC000656755335 411350645 /nfs/dbraw/zinc/35/06/45/411350645.db2.gz YIZBEUQOHKHOMR-TVQRCGJNSA-N 0 0 240.306 3.737 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(-c2ccc(C3CC3)cc2)n1 ZINC000656755336 411351473 /nfs/dbraw/zinc/35/14/73/411351473.db2.gz YIZBEUQOHKHOMR-ZANVPECISA-N 0 0 240.306 3.737 20 0 BHADRN c1cc(CNc2cncc3c2CCCC3)cs1 ZINC000656775825 411356758 /nfs/dbraw/zinc/35/67/58/411356758.db2.gz BNPRMIOOIHVZPF-UHFFFAOYSA-N 0 0 244.363 3.634 20 0 BHADRN c1csc(CNc2cncc3c2CCCC3)c1 ZINC000656776811 411357155 /nfs/dbraw/zinc/35/71/55/411357155.db2.gz SSFCNVBXKTWXHK-UHFFFAOYSA-N 0 0 244.363 3.634 20 0 BHADRN Cc1ccoc1CNc1ccc(C(F)F)nc1 ZINC000656778901 411358112 /nfs/dbraw/zinc/35/81/12/411358112.db2.gz FNMLMFBMASGARQ-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN Cc1occc1CNc1ccc(C(F)F)nc1 ZINC000656779111 411358081 /nfs/dbraw/zinc/35/80/81/411358081.db2.gz HGVNASNPWRJCNL-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN Cc1ccc(CNc2ccc(C(F)F)nc2)o1 ZINC000656779177 411357654 /nfs/dbraw/zinc/35/76/54/411357654.db2.gz RBEGWDJYDDJQQF-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN CC1(CNc2ccc(C(F)F)nc2)CCC1 ZINC000656779545 411359097 /nfs/dbraw/zinc/35/90/97/411359097.db2.gz QEDMEFDGTPLZQK-UHFFFAOYSA-N 0 0 226.270 3.621 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)N(C)C(C)(C)CC ZINC000657073221 411402487 /nfs/dbraw/zinc/40/24/87/411402487.db2.gz NHYGNHHCGARBHC-LLVKDONJSA-N 0 0 242.407 3.641 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)N(C)C(C)(C)CC ZINC000657073222 411402599 /nfs/dbraw/zinc/40/25/99/411402599.db2.gz NHYGNHHCGARBHC-NSHDSACASA-N 0 0 242.407 3.641 20 0 BHADRN CN(CC(F)F)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000657103444 411407017 /nfs/dbraw/zinc/40/70/17/411407017.db2.gz SCOQXZOMLUALFV-CHWSQXEVSA-N 0 0 239.309 3.520 20 0 BHADRN CN(CC(F)F)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000657103446 411407085 /nfs/dbraw/zinc/40/70/85/411407085.db2.gz SCOQXZOMLUALFV-OLZOCXBDSA-N 0 0 239.309 3.520 20 0 BHADRN CN(CC(F)F)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000657103449 411407161 /nfs/dbraw/zinc/40/71/61/411407161.db2.gz SCOQXZOMLUALFV-QWHCGFSZSA-N 0 0 239.309 3.520 20 0 BHADRN CN(CC(F)F)[C@H]1CCC[C@H]1c1ccccc1 ZINC000657103450 411407076 /nfs/dbraw/zinc/40/70/76/411407076.db2.gz SCOQXZOMLUALFV-STQMWFEESA-N 0 0 239.309 3.520 20 0 BHADRN CC(=O)[C@H](C)CCSc1ccc(F)cc1 ZINC000657221899 411419515 /nfs/dbraw/zinc/41/95/15/411419515.db2.gz AQPCHUIPEDHTAQ-SECBINFHSA-N 0 0 226.316 3.533 20 0 BHADRN CC(=O)[C@@H](C)CCSc1ccc(F)cc1 ZINC000657221909 411420265 /nfs/dbraw/zinc/42/02/65/411420265.db2.gz AQPCHUIPEDHTAQ-VIFPVBQESA-N 0 0 226.316 3.533 20 0 BHADRN CO[C@H](CSc1ccc(F)cc1)C1CCC1 ZINC000657222848 411420854 /nfs/dbraw/zinc/42/08/54/411420854.db2.gz JMKZKEWRIRJXEH-CYBMUJFWSA-N 0 0 240.343 3.733 20 0 BHADRN CO[C@@H](CSc1ccc(F)cc1)C1CCC1 ZINC000657222850 411421275 /nfs/dbraw/zinc/42/12/75/411421275.db2.gz JMKZKEWRIRJXEH-ZDUSSCGKSA-N 0 0 240.343 3.733 20 0 BHADRN CCCOc1ccc(OCc2cncs2)cc1 ZINC000657223560 411421360 /nfs/dbraw/zinc/42/13/60/411421360.db2.gz SELGXNTZNFWAAE-UHFFFAOYSA-N 0 0 249.335 3.511 20 0 BHADRN CO[C@H](CSc1ccccc1F)C1CCC1 ZINC000657223988 411419560 /nfs/dbraw/zinc/41/95/60/411419560.db2.gz AVYALLBCQPHFJL-GFCCVEGCSA-N 0 0 240.343 3.733 20 0 BHADRN CO[C@@H](CSc1ccccc1F)C1CCC1 ZINC000657223989 411420484 /nfs/dbraw/zinc/42/04/84/411420484.db2.gz AVYALLBCQPHFJL-LBPRGKRZSA-N 0 0 240.343 3.733 20 0 BHADRN Fc1ccc(SCc2cc(C3CC3)no2)cc1 ZINC000657224016 411419543 /nfs/dbraw/zinc/41/95/43/411419543.db2.gz YAGKLMOEEKINOV-UHFFFAOYSA-N 0 0 249.310 3.983 20 0 BHADRN CC(=O)[C@H](C)CCSc1ccccc1F ZINC000657224152 411419961 /nfs/dbraw/zinc/41/99/61/411419961.db2.gz DBTAMRRGUBCAQQ-SECBINFHSA-N 0 0 226.316 3.533 20 0 BHADRN CC(=O)[C@@H](C)CCSc1ccccc1F ZINC000657224154 411420239 /nfs/dbraw/zinc/42/02/39/411420239.db2.gz DBTAMRRGUBCAQQ-VIFPVBQESA-N 0 0 226.316 3.533 20 0 BHADRN Fc1ccccc1SCc1cc(C2CC2)no1 ZINC000657224521 411419561 /nfs/dbraw/zinc/41/95/61/411419561.db2.gz KLLDRYZNTMHTAF-UHFFFAOYSA-N 0 0 249.310 3.983 20 0 BHADRN Fc1cc(F)c(F)c(OCC2CC=CC2)c1F ZINC000657226389 411420783 /nfs/dbraw/zinc/42/07/83/411420783.db2.gz NZAIDLJLNKTAFT-UHFFFAOYSA-N 0 0 246.203 3.588 20 0 BHADRN CC(=O)[C@H](C)CCSc1nc2ccccc2o1 ZINC000657226858 411421278 /nfs/dbraw/zinc/42/12/78/411421278.db2.gz ALVBZHKHEBQUNK-SECBINFHSA-N 0 0 249.335 3.535 20 0 BHADRN CC(=O)[C@@H](C)CCSc1nc2ccccc2o1 ZINC000657226859 411421474 /nfs/dbraw/zinc/42/14/74/411421474.db2.gz ALVBZHKHEBQUNK-VIFPVBQESA-N 0 0 249.335 3.535 20 0 BHADRN Clc1ccccc1OCc1cc(C2CC2)no1 ZINC000657226977 411421496 /nfs/dbraw/zinc/42/14/96/411421496.db2.gz DTTZKSLPCVTSRO-UHFFFAOYSA-N 0 0 249.697 3.784 20 0 BHADRN Cc1nocc1COc1cc(C)ccc1C(C)C ZINC000657227178 411421432 /nfs/dbraw/zinc/42/14/32/411421432.db2.gz CVRVFXIREXZHEH-UHFFFAOYSA-N 0 0 245.322 3.994 20 0 BHADRN Cc1ccc(S[C@H]2COC(C)(C)C2)cc1 ZINC000657227229 411420708 /nfs/dbraw/zinc/42/07/08/411420708.db2.gz BNYSXAOROSZKME-GFCCVEGCSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccc(S[C@@H]2COC(C)(C)C2)cc1 ZINC000657227230 411421488 /nfs/dbraw/zinc/42/14/88/411421488.db2.gz BNYSXAOROSZKME-LBPRGKRZSA-N 0 0 222.353 3.655 20 0 BHADRN Cc1ccc(C)c(OCc2cc(C3CC3)no2)c1 ZINC000657227583 411420906 /nfs/dbraw/zinc/42/09/06/411420906.db2.gz GZIARGLETWSCFO-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN CCc1nnc([C@H](C)Sc2ccc(C)cc2)[nH]1 ZINC000657227589 411420994 /nfs/dbraw/zinc/42/09/94/411420994.db2.gz GIPOZVSEILBPPY-JTQLQIEISA-N 0 0 247.367 3.529 20 0 BHADRN CCc1nnc([C@@H](C)Sc2ccc(C)cc2)[nH]1 ZINC000657227597 411421154 /nfs/dbraw/zinc/42/11/54/411421154.db2.gz GIPOZVSEILBPPY-SNVBAGLBSA-N 0 0 247.367 3.529 20 0 BHADRN CC(=O)Nc1ccccc1OCCCC1CCC1 ZINC000657227600 411420917 /nfs/dbraw/zinc/42/09/17/411420917.db2.gz HJXSHFYKPDCFDQ-UHFFFAOYSA-N 0 0 247.338 3.604 20 0 BHADRN Cc1ccc(SCc2cc(C)nc(C)n2)cc1 ZINC000657227632 411421285 /nfs/dbraw/zinc/42/12/85/411421285.db2.gz HCZTWVJOILHZBM-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cc(C)cc(OCc2cc(C3CC3)no2)c1 ZINC000657227639 411422162 /nfs/dbraw/zinc/42/21/62/411422162.db2.gz HZQMBKUEPCGCGZ-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN CC[C@@H](COc1ccccc1F)CC(F)F ZINC000657227719 411421808 /nfs/dbraw/zinc/42/18/08/411421808.db2.gz JWQUUJIEUVSZJU-SECBINFHSA-N 0 0 232.245 3.886 20 0 BHADRN CC[C@H](COc1ccccc1F)CC(F)F ZINC000657227720 411421960 /nfs/dbraw/zinc/42/19/60/411421960.db2.gz JWQUUJIEUVSZJU-VIFPVBQESA-N 0 0 232.245 3.886 20 0 BHADRN CCC(=O)c1ccc(OCC2CC=CC2)cc1 ZINC000657227812 411422026 /nfs/dbraw/zinc/42/20/26/411422026.db2.gz JETPXQNZAMPTPS-UHFFFAOYSA-N 0 0 230.307 3.624 20 0 BHADRN CC(=O)[C@H](C)CCSc1ccc(C)cc1 ZINC000657227936 411422249 /nfs/dbraw/zinc/42/22/49/411422249.db2.gz LJCFUSKDGSVOPK-LLVKDONJSA-N 0 0 222.353 3.702 20 0 BHADRN CC(=O)[C@@H](C)CCSc1ccc(C)cc1 ZINC000657227937 411422440 /nfs/dbraw/zinc/42/24/40/411422440.db2.gz LJCFUSKDGSVOPK-NSHDSACASA-N 0 0 222.353 3.702 20 0 BHADRN CC[C@@H](CSc1ccccn1)CC(F)F ZINC000657228248 411421869 /nfs/dbraw/zinc/42/18/69/411421869.db2.gz PLSLWEGUYTUOIW-SECBINFHSA-N 0 0 231.311 3.855 20 0 BHADRN CC[C@H](CSc1ccccn1)CC(F)F ZINC000657228249 411422012 /nfs/dbraw/zinc/42/20/12/411422012.db2.gz PLSLWEGUYTUOIW-VIFPVBQESA-N 0 0 231.311 3.855 20 0 BHADRN CC[C@H](COc1ccccc1OC)CC(F)F ZINC000657228325 411421930 /nfs/dbraw/zinc/42/19/30/411421930.db2.gz SUUSWOXEMYXDKM-JTQLQIEISA-N 0 0 244.281 3.755 20 0 BHADRN CC[C@@H](COc1ccccc1OC)CC(F)F ZINC000657228326 411422266 /nfs/dbraw/zinc/42/22/66/411422266.db2.gz SUUSWOXEMYXDKM-SNVBAGLBSA-N 0 0 244.281 3.755 20 0 BHADRN CC(C)(C)n1cc(CSc2ccccc2)cn1 ZINC000657228381 411422347 /nfs/dbraw/zinc/42/23/47/411422347.db2.gz UOYCZNZRPTYRPD-UHFFFAOYSA-N 0 0 246.379 3.930 20 0 BHADRN CCC(C)(C)CCOc1ccccc1NC(C)=O ZINC000657228402 411422293 /nfs/dbraw/zinc/42/22/93/411422293.db2.gz RLWQFTWSVUOCAZ-UHFFFAOYSA-N 0 0 249.354 3.850 20 0 BHADRN CC[C@@H](CC(F)F)Cn1cnc2ccccc21 ZINC000657228405 411422016 /nfs/dbraw/zinc/42/20/16/411422016.db2.gz VAPCWIGFUCFCCB-JTQLQIEISA-N 0 0 238.281 3.718 20 0 BHADRN CC[C@H](CC(F)F)Cn1cnc2ccccc21 ZINC000657228410 411421746 /nfs/dbraw/zinc/42/17/46/411421746.db2.gz VAPCWIGFUCFCCB-SNVBAGLBSA-N 0 0 238.281 3.718 20 0 BHADRN COc1ccc(C(C)=O)c(OCCC=C(C)C)c1 ZINC000657228418 411421964 /nfs/dbraw/zinc/42/19/64/411421964.db2.gz RVGULGKWKVEKOF-UHFFFAOYSA-N 0 0 248.322 3.633 20 0 BHADRN Clc1ccc(OCc2cc(C3CC3)no2)cc1 ZINC000657228425 411421765 /nfs/dbraw/zinc/42/17/65/411421765.db2.gz VENLONOENBWHCM-UHFFFAOYSA-N 0 0 249.697 3.784 20 0 BHADRN CC(C)=CCCOc1ccc(C(C)=O)cc1 ZINC000657228427 411422529 /nfs/dbraw/zinc/42/25/29/411422529.db2.gz VHYUJRVVOPUPCB-UHFFFAOYSA-N 0 0 218.296 3.624 20 0 BHADRN CO[C@H](COc1ccccc1Cl)C1CCC1 ZINC000657228450 411422178 /nfs/dbraw/zinc/42/21/78/411422178.db2.gz VIVSNWNYLITKMM-CYBMUJFWSA-N 0 0 240.730 3.534 20 0 BHADRN CO[C@@H](COc1ccccc1Cl)C1CCC1 ZINC000657228452 411422200 /nfs/dbraw/zinc/42/22/00/411422200.db2.gz VIVSNWNYLITKMM-ZDUSSCGKSA-N 0 0 240.730 3.534 20 0 BHADRN Cc1nocc1COc1ccc(Cl)c(C)c1 ZINC000657228495 411422760 /nfs/dbraw/zinc/42/27/60/411422760.db2.gz QZTVRHDFCZMXMM-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN Cc1nocc1COc1ccc(C(C)(C)C)cc1 ZINC000657228563 411422707 /nfs/dbraw/zinc/42/27/07/411422707.db2.gz WCWLYCNUCIHKKS-UHFFFAOYSA-N 0 0 245.322 3.860 20 0 BHADRN Clc1cccc(OCc2cc(C3CC3)no2)c1 ZINC000657228646 411422787 /nfs/dbraw/zinc/42/27/87/411422787.db2.gz WRZUWKDBVGWCIO-UHFFFAOYSA-N 0 0 249.697 3.784 20 0 BHADRN c1c(CSc2ccccc2)onc1C1CC1 ZINC000657228665 411422915 /nfs/dbraw/zinc/42/29/15/411422915.db2.gz 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CC(=O)Nc1ccc(SCC2CC=CC2)cc1 ZINC000657232017 488107835 /nfs/dbraw/zinc/10/78/35/488107835.db2.gz TZSUIMHLKPBTLL-UHFFFAOYSA-N 0 0 247.363 3.703 20 0 BHADRN CCC(CC)COc1ccc(-c2nnco2)cc1 ZINC000657232471 488107614 /nfs/dbraw/zinc/10/76/14/488107614.db2.gz FZDQSTDYTNKAMX-UHFFFAOYSA-N 0 0 246.310 3.552 20 0 BHADRN COc1cc(C(C)=O)ccc1OCCC=C(C)C ZINC000657233186 488107908 /nfs/dbraw/zinc/10/79/08/488107908.db2.gz SRUAGFPUVYGEAS-UHFFFAOYSA-N 0 0 248.322 3.633 20 0 BHADRN Cc1nnc(SCCCC2CCC2)s1 ZINC000657233196 488107598 /nfs/dbraw/zinc/10/75/98/488107598.db2.gz UAGMNWDJKZIMDX-UHFFFAOYSA-N 0 0 228.386 3.519 20 0 BHADRN c1ncc(CSc2ccc3c(c2)CCC3)s1 ZINC000657235111 411423918 /nfs/dbraw/zinc/42/39/18/411423918.db2.gz GCGLGBGOIUTPKA-UHFFFAOYSA-N 0 0 247.388 3.924 20 0 BHADRN CC(=O)[C@H](C)CCSc1ccc(F)c(F)c1 ZINC000657236345 411423756 /nfs/dbraw/zinc/42/37/56/411423756.db2.gz FUTLHRHFHBDCQV-MRVPVSSYSA-N 0 0 244.306 3.672 20 0 BHADRN CC(=O)[C@@H](C)CCSc1ccc(F)c(F)c1 ZINC000657236346 411423474 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3.947 20 0 BHADRN Cc1cnc(SCc2cccc(C)n2)c(C)c1 ZINC000657280103 411440853 /nfs/dbraw/zinc/44/08/53/411440853.db2.gz DJPRPEOOQURWRS-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cnc(S[C@H](C)c2ccncc2)c(C)c1 ZINC000657280105 411441137 /nfs/dbraw/zinc/44/11/37/411441137.db2.gz DPBIQHPIRIZXNK-GFCCVEGCSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1cnc(S[C@@H](C)c2ccncc2)c(C)c1 ZINC000657280106 411441424 /nfs/dbraw/zinc/44/14/24/411441424.db2.gz DPBIQHPIRIZXNK-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1ccc(CSc2ncc(C)cc2C)nc1 ZINC000657280126 411441070 /nfs/dbraw/zinc/44/10/70/411441070.db2.gz FIVBNEHXJFERRH-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN CCC(=O)CCCSc1ncc(C)cc1C ZINC000657280141 411440855 /nfs/dbraw/zinc/44/08/55/411440855.db2.gz FZCCKCDWMQZDIV-UHFFFAOYSA-N 0 0 237.368 3.550 20 0 BHADRN Cc1cnc(SCc2ccc(C)nc2)c(C)c1 ZINC000657280163 411440908 /nfs/dbraw/zinc/44/09/08/411440908.db2.gz GTSDIRXNACPGEL-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cncc(CSc2ncc(C)cc2C)c1 ZINC000657280175 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/nfs/dbraw/zinc/18/08/40/488180840.db2.gz BNSSICPPAPQQCM-TZMCWYRMSA-N 0 0 245.366 3.707 20 0 BHADRN CCOC1CCC(Nc2cccc(C)c2)CC1 ZINC000657939502 411175615 /nfs/dbraw/zinc/17/56/15/411175615.db2.gz AAURWAVRSOMRCY-UHFFFAOYSA-N 0 0 233.355 3.755 20 0 BHADRN CCc1ccc(NC2CC(CF)(CF)C2)cc1 ZINC000657939567 411175307 /nfs/dbraw/zinc/17/53/07/411175307.db2.gz BHBACKNKDNLVOA-UHFFFAOYSA-N 0 0 239.309 3.749 20 0 BHADRN CCOC1CCC(Nc2cccc(F)c2)CC1 ZINC000657939589 411175468 /nfs/dbraw/zinc/17/54/68/411175468.db2.gz BQPFTVGBMLOMTA-UHFFFAOYSA-N 0 0 237.318 3.585 20 0 BHADRN CC(C)c1ccc(N[C@@H]2COC3(CCC3)C2)cc1 ZINC000657939611 411175219 /nfs/dbraw/zinc/17/52/19/411175219.db2.gz BYVYJYSCTBOSTO-HNNXBMFYSA-N 0 0 245.366 3.934 20 0 BHADRN CC(C)c1ccc(N[C@H]2COC3(CCC3)C2)cc1 ZINC000657939614 411175179 /nfs/dbraw/zinc/17/51/79/411175179.db2.gz BYVYJYSCTBOSTO-OAHLLOKOSA-N 0 0 245.366 3.934 20 0 BHADRN Fc1cccc(N[C@@H]2CCCSCC2)c1 ZINC000657939620 411175408 /nfs/dbraw/zinc/17/54/08/411175408.db2.gz CCFUWFQIDXLGID-LLVKDONJSA-N 0 0 225.332 3.523 20 0 BHADRN Fc1cccc(N[C@H]2CCCSCC2)c1 ZINC000657939622 411175420 /nfs/dbraw/zinc/17/54/20/411175420.db2.gz CCFUWFQIDXLGID-NSHDSACASA-N 0 0 225.332 3.523 20 0 BHADRN Cc1cc(C)cc(NC2CC(CF)(CF)C2)c1 ZINC000657939663 411175429 /nfs/dbraw/zinc/17/54/29/411175429.db2.gz CJHBYFPPHDVBBH-UHFFFAOYSA-N 0 0 239.309 3.803 20 0 BHADRN CCOC1CCC(Nc2ccc(F)cc2)CC1 ZINC000657939920 411174364 /nfs/dbraw/zinc/17/43/64/411174364.db2.gz FLXAYKDJNJDHIU-UHFFFAOYSA-N 0 0 237.318 3.585 20 0 BHADRN CCc1ccccc1N[C@@H]1CCCSCC1 ZINC000657940002 411175349 /nfs/dbraw/zinc/17/53/49/411175349.db2.gz GWPRXCRSDVHRNU-CYBMUJFWSA-N 0 0 235.396 3.947 20 0 BHADRN CCc1ccccc1N[C@H]1CCCSCC1 ZINC000657940005 411175558 /nfs/dbraw/zinc/17/55/58/411175558.db2.gz GWPRXCRSDVHRNU-ZDUSSCGKSA-N 0 0 235.396 3.947 20 0 BHADRN COc1cccc(N[C@H](C)C(C)(C)C(F)F)c1 ZINC000657940033 411175603 /nfs/dbraw/zinc/17/56/03/411175603.db2.gz HXYPFVMWDYJTOG-SECBINFHSA-N 0 0 243.297 3.787 20 0 BHADRN COc1cccc(N[C@@H](C)C(C)(C)C(F)F)c1 ZINC000657940196 411175226 /nfs/dbraw/zinc/17/52/26/411175226.db2.gz HXYPFVMWDYJTOG-VIFPVBQESA-N 0 0 243.297 3.787 20 0 BHADRN Cc1cccc(NC2CC(CF)(CF)C2)c1C ZINC000657940234 411175096 /nfs/dbraw/zinc/17/50/96/411175096.db2.gz GXDLOVNVMMRFJP-UHFFFAOYSA-N 0 0 239.309 3.803 20 0 BHADRN CCc1ccc(N[C@H](C)C2(OC)CCC2)cc1 ZINC000657940278 411175694 /nfs/dbraw/zinc/17/56/94/411175694.db2.gz JYBINLQCTAKCEB-GFCCVEGCSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1ccc(N[C@@H](C)C2(OC)CCC2)cc1 ZINC000657940279 411175331 /nfs/dbraw/zinc/17/53/31/411175331.db2.gz JYBINLQCTAKCEB-LBPRGKRZSA-N 0 0 233.355 3.619 20 0 BHADRN CCOC1CCC(Nc2ccc(C)cc2)CC1 ZINC000657940285 411175314 /nfs/dbraw/zinc/17/53/14/411175314.db2.gz KCXRKKIOWQHVFA-UHFFFAOYSA-N 0 0 233.355 3.755 20 0 BHADRN CCc1ccccc1NC1CC(CF)(CF)C1 ZINC000657940515 411175230 /nfs/dbraw/zinc/17/52/30/411175230.db2.gz OHTDDDKRUBTWOR-UHFFFAOYSA-N 0 0 239.309 3.749 20 0 BHADRN CSc1cccc(N[C@H]2COC3(CCC3)C2)c1 ZINC000657940633 411175325 /nfs/dbraw/zinc/17/53/25/411175325.db2.gz PEOLUVUEEFEMOC-GFCCVEGCSA-N 0 0 249.379 3.532 20 0 BHADRN CSc1cccc(N[C@@H]2COC3(CCC3)C2)c1 ZINC000657940634 411175167 /nfs/dbraw/zinc/17/51/67/411175167.db2.gz PEOLUVUEEFEMOC-LBPRGKRZSA-N 0 0 249.379 3.532 20 0 BHADRN Cc1cccc(N[C@@H]2CCCSCC2)c1 ZINC000657940646 411175732 /nfs/dbraw/zinc/17/57/32/411175732.db2.gz PQFMIXOVCKIRHX-GFCCVEGCSA-N 0 0 221.369 3.693 20 0 BHADRN Cc1cccc(N[C@H]2CCCSCC2)c1 ZINC000657940647 411175404 /nfs/dbraw/zinc/17/54/04/411175404.db2.gz PQFMIXOVCKIRHX-LBPRGKRZSA-N 0 0 221.369 3.693 20 0 BHADRN C[C@@H](Nc1ccc(F)cc1)C(C)(C)C(F)F ZINC000657940684 411175233 /nfs/dbraw/zinc/17/52/33/411175233.db2.gz RPJXDPDBAOMYEY-MRVPVSSYSA-N 0 0 231.261 3.917 20 0 BHADRN C[C@H](Nc1ccc(F)cc1)C(C)(C)C(F)F ZINC000657940685 411175566 /nfs/dbraw/zinc/17/55/66/411175566.db2.gz RPJXDPDBAOMYEY-QMMMGPOBSA-N 0 0 231.261 3.917 20 0 BHADRN Fc1ccc(N[C@@H]2CCCSCC2)cc1 ZINC000657940723 411175581 /nfs/dbraw/zinc/17/55/81/411175581.db2.gz SUOHHXRXLZJBRN-LLVKDONJSA-N 0 0 225.332 3.523 20 0 BHADRN Fc1ccc(N[C@H]2CCCSCC2)cc1 ZINC000657940724 411175435 /nfs/dbraw/zinc/17/54/35/411175435.db2.gz SUOHHXRXLZJBRN-NSHDSACASA-N 0 0 225.332 3.523 20 0 BHADRN CCOC1CCC(Nc2ccccc2C)CC1 ZINC000657940963 411176327 /nfs/dbraw/zinc/17/63/27/411176327.db2.gz OYSDGNZBUORCNG-UHFFFAOYSA-N 0 0 233.355 3.755 20 0 BHADRN CCc1ccc(N[C@@H]2CCCSCC2)cc1 ZINC000657941052 411176537 /nfs/dbraw/zinc/17/65/37/411176537.db2.gz XAPLFHIOQRHNKZ-CYBMUJFWSA-N 0 0 235.396 3.947 20 0 BHADRN CCc1ccc(N[C@H]2CCCSCC2)cc1 ZINC000657941054 411176519 /nfs/dbraw/zinc/17/65/19/411176519.db2.gz XAPLFHIOQRHNKZ-ZDUSSCGKSA-N 0 0 235.396 3.947 20 0 BHADRN Cc1ccc(N[C@@H]2CCCSCC2)cc1 ZINC000657941055 411176504 /nfs/dbraw/zinc/17/65/04/411176504.db2.gz XAVBNACQAOPJDY-GFCCVEGCSA-N 0 0 221.369 3.693 20 0 BHADRN Cc1ccc(N[C@H]2CCCSCC2)cc1 ZINC000657941057 411176389 /nfs/dbraw/zinc/17/63/89/411176389.db2.gz XAVBNACQAOPJDY-LBPRGKRZSA-N 0 0 221.369 3.693 20 0 BHADRN Cc1ccc(N[C@@H]2CCCSCC2)cc1F ZINC000657941221 411175121 /nfs/dbraw/zinc/17/51/21/411175121.db2.gz CFQDPCWPIUDSEO-LLVKDONJSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1ccc(N[C@H]2CCCSCC2)cc1F ZINC000657941235 411175411 /nfs/dbraw/zinc/17/54/11/411175411.db2.gz CFQDPCWPIUDSEO-NSHDSACASA-N 0 0 239.359 3.832 20 0 BHADRN Cc1ccccc1N[C@@H]1CCCSCC1 ZINC000657941365 411175585 /nfs/dbraw/zinc/17/55/85/411175585.db2.gz UQZZKLJISZUNJV-GFCCVEGCSA-N 0 0 221.369 3.693 20 0 BHADRN Cc1ccccc1N[C@H]1CCCSCC1 ZINC000657941366 411175368 /nfs/dbraw/zinc/17/53/68/411175368.db2.gz UQZZKLJISZUNJV-LBPRGKRZSA-N 0 0 221.369 3.693 20 0 BHADRN CCc1cccc(NC2CC(CF)(CF)C2)c1 ZINC000657941482 411175538 /nfs/dbraw/zinc/17/55/38/411175538.db2.gz FKOCDIKKIRJNPN-UHFFFAOYSA-N 0 0 239.309 3.749 20 0 BHADRN Cc1nc2cc(N[C@H]3CCCC34CC4)ccc2o1 ZINC000657941490 411175562 /nfs/dbraw/zinc/17/55/62/411175562.db2.gz FOJUZZPGVGOIIT-AWEZNQCLSA-N 0 0 242.322 3.881 20 0 BHADRN Cc1nc2cc(N[C@@H]3CCCC34CC4)ccc2o1 ZINC000657941491 411175508 /nfs/dbraw/zinc/17/55/08/411175508.db2.gz FOJUZZPGVGOIIT-CQSZACIVSA-N 0 0 242.322 3.881 20 0 BHADRN CCc1cccc(N[C@H](C)C2(OC)CCC2)c1 ZINC000657941688 411175619 /nfs/dbraw/zinc/17/56/19/411175619.db2.gz GIETYBWNEDCZNP-GFCCVEGCSA-N 0 0 233.355 3.619 20 0 BHADRN CCc1cccc(N[C@@H](C)C2(OC)CCC2)c1 ZINC000657941689 411175145 /nfs/dbraw/zinc/17/51/45/411175145.db2.gz GIETYBWNEDCZNP-LBPRGKRZSA-N 0 0 233.355 3.619 20 0 BHADRN COC1([C@@H](C)Nc2ccc(C)c(F)c2)CCC1 ZINC000657941690 411175523 /nfs/dbraw/zinc/17/55/23/411175523.db2.gz GJHFRZJPTIPZKA-LLVKDONJSA-N 0 0 237.318 3.504 20 0 BHADRN COC1([C@H](C)Nc2ccc(C)c(F)c2)CCC1 ZINC000657941691 411175197 /nfs/dbraw/zinc/17/51/97/411175197.db2.gz GJHFRZJPTIPZKA-NSHDSACASA-N 0 0 237.318 3.504 20 0 BHADRN CCc1cccc(N[C@@H]2CCCSCC2)c1 ZINC000657941732 411176148 /nfs/dbraw/zinc/17/61/48/411176148.db2.gz HLOBRDXPQKNBSJ-CYBMUJFWSA-N 0 0 235.396 3.947 20 0 BHADRN CCc1cccc(N[C@H]2CCCSCC2)c1 ZINC000657941733 411176391 /nfs/dbraw/zinc/17/63/91/411176391.db2.gz HLOBRDXPQKNBSJ-ZDUSSCGKSA-N 0 0 235.396 3.947 20 0 BHADRN CSc1ccc(N[C@H]2COC3(CCC3)C2)cc1 ZINC000657941882 411176205 /nfs/dbraw/zinc/17/62/05/411176205.db2.gz MTBYZXWNTLPDEH-GFCCVEGCSA-N 0 0 249.379 3.532 20 0 BHADRN CSc1ccc(N[C@@H]2COC3(CCC3)C2)cc1 ZINC000657941883 411176493 /nfs/dbraw/zinc/17/64/93/411176493.db2.gz MTBYZXWNTLPDEH-LBPRGKRZSA-N 0 0 249.379 3.532 20 0 BHADRN c1cc(N[C@H]2CCCSCC2)cc2c1CCC2 ZINC000657941921 411176249 /nfs/dbraw/zinc/17/62/49/411176249.db2.gz NOJKOTQJXIKXII-AWEZNQCLSA-N 0 0 247.407 3.873 20 0 BHADRN c1cc(N[C@@H]2CCCSCC2)cc2c1CCC2 ZINC000657941922 411176476 /nfs/dbraw/zinc/17/64/76/411176476.db2.gz NOJKOTQJXIKXII-CQSZACIVSA-N 0 0 247.407 3.873 20 0 BHADRN CC(C)c1cccc(N[C@@H]2COC3(CCC3)C2)c1 ZINC000657942055 411176479 /nfs/dbraw/zinc/17/64/79/411176479.db2.gz RLTRMLKBCSKUGU-HNNXBMFYSA-N 0 0 245.366 3.934 20 0 BHADRN CC(C)c1cccc(N[C@H]2COC3(CCC3)C2)c1 ZINC000657942056 411176285 /nfs/dbraw/zinc/17/62/85/411176285.db2.gz RLTRMLKBCSKUGU-OAHLLOKOSA-N 0 0 245.366 3.934 20 0 BHADRN Cc1ccc(NC2CC(CF)(CF)C2)cc1F ZINC000657942269 411176153 /nfs/dbraw/zinc/17/61/53/411176153.db2.gz UVUMJNDLGFLLFP-UHFFFAOYSA-N 0 0 243.272 3.634 20 0 BHADRN COC1([C@H](C)Nc2cccc(Cl)c2)CCC1 ZINC000657942572 411176431 /nfs/dbraw/zinc/17/64/31/411176431.db2.gz JDWRTVRCKYWKBV-JTQLQIEISA-N 0 0 239.746 3.710 20 0 BHADRN COC1([C@@H](C)Nc2cccc(Cl)c2)CCC1 ZINC000657942573 411176414 /nfs/dbraw/zinc/17/64/14/411176414.db2.gz JDWRTVRCKYWKBV-SNVBAGLBSA-N 0 0 239.746 3.710 20 0 BHADRN FCC1(CF)CC(Nc2cccc(Cl)c2)C1 ZINC000657943951 411177065 /nfs/dbraw/zinc/17/70/65/411177065.db2.gz WQADSJKBNSOGOB-UHFFFAOYSA-N 0 0 245.700 3.840 20 0 BHADRN COCc1cccc(N[C@H]2CCCC23CC3)c1 ZINC000657945279 411176871 /nfs/dbraw/zinc/17/68/71/411176871.db2.gz WDAVQBJUOIAQGT-AWEZNQCLSA-N 0 0 231.339 3.578 20 0 BHADRN COCc1cccc(N[C@@H]2CCCC23CC3)c1 ZINC000657945280 411177068 /nfs/dbraw/zinc/17/70/68/411177068.db2.gz WDAVQBJUOIAQGT-CQSZACIVSA-N 0 0 231.339 3.578 20 0 BHADRN CCOC1CCC(Nc2ccccc2F)CC1 ZINC000657947444 411177606 /nfs/dbraw/zinc/17/76/06/411177606.db2.gz ADWQNHJRJQQGOW-UHFFFAOYSA-N 0 0 237.318 3.585 20 0 BHADRN Fc1ccccc1N[C@@H]1CCCC12CC2 ZINC000657947468 411177714 /nfs/dbraw/zinc/17/77/14/411177714.db2.gz ASGDBKVPAOEREU-GFCCVEGCSA-N 0 0 205.276 3.570 20 0 BHADRN Fc1ccccc1N[C@H]1CCCC12CC2 ZINC000657947469 411177770 /nfs/dbraw/zinc/17/77/70/411177770.db2.gz ASGDBKVPAOEREU-LBPRGKRZSA-N 0 0 205.276 3.570 20 0 BHADRN Cc1nc2ccc(N[C@H]3CCCC34CC4)cc2o1 ZINC000657947895 411177634 /nfs/dbraw/zinc/17/76/34/411177634.db2.gz FWDCHYPNWNFCHX-AWEZNQCLSA-N 0 0 242.322 3.881 20 0 BHADRN Cc1nc2ccc(N[C@@H]3CCCC34CC4)cc2o1 ZINC000657947896 411178016 /nfs/dbraw/zinc/17/80/16/411178016.db2.gz FWDCHYPNWNFCHX-CQSZACIVSA-N 0 0 242.322 3.881 20 0 BHADRN Fc1ccccc1N[C@H]1CCCSCC1 ZINC000657948138 411177966 /nfs/dbraw/zinc/17/79/66/411177966.db2.gz GRUOHOGZLDZELT-JTQLQIEISA-N 0 0 225.332 3.523 20 0 BHADRN Fc1ccccc1N[C@@H]1CCCSCC1 ZINC000657948139 411178119 /nfs/dbraw/zinc/17/81/19/411178119.db2.gz GRUOHOGZLDZELT-SNVBAGLBSA-N 0 0 225.332 3.523 20 0 BHADRN COC1([C@H](C)Nc2ccc(Cl)cc2)CCC1 ZINC000657950237 411178558 /nfs/dbraw/zinc/17/85/58/411178558.db2.gz ZKCWBWWJTIVEBR-JTQLQIEISA-N 0 0 239.746 3.710 20 0 BHADRN COC1([C@@H](C)Nc2ccc(Cl)cc2)CCC1 ZINC000657950239 411178805 /nfs/dbraw/zinc/17/88/05/411178805.db2.gz ZKCWBWWJTIVEBR-SNVBAGLBSA-N 0 0 239.746 3.710 20 0 BHADRN Cc1cc(N[C@@H]2CCCSCC2)ccc1F ZINC000657952374 411179917 /nfs/dbraw/zinc/17/99/17/411179917.db2.gz HDXKLWYFDRORTE-LLVKDONJSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1cc(N[C@H]2CCCSCC2)ccc1F ZINC000657952375 411180092 /nfs/dbraw/zinc/18/00/92/411180092.db2.gz HDXKLWYFDRORTE-NSHDSACASA-N 0 0 239.359 3.832 20 0 BHADRN c1cc(C2CC2)ccc1N[C@@H]1COC2(CCC2)C1 ZINC000657952775 411180111 /nfs/dbraw/zinc/18/01/11/411180111.db2.gz ABFXCRBQNRKUIH-HNNXBMFYSA-N 0 0 243.350 3.688 20 0 BHADRN c1cc(C2CC2)ccc1N[C@H]1COC2(CCC2)C1 ZINC000657952777 411179612 /nfs/dbraw/zinc/17/96/12/411179612.db2.gz ABFXCRBQNRKUIH-OAHLLOKOSA-N 0 0 243.350 3.688 20 0 BHADRN CCc1ccc(N[C@H]2COC3(CCC3)C2)cc1F ZINC000657952874 411179933 /nfs/dbraw/zinc/17/99/33/411179933.db2.gz NYDIBJBQAABSRS-CYBMUJFWSA-N 0 0 249.329 3.512 20 0 BHADRN CCc1ccc(N[C@@H]2COC3(CCC3)C2)cc1F ZINC000657952878 411179640 /nfs/dbraw/zinc/17/96/40/411179640.db2.gz NYDIBJBQAABSRS-ZDUSSCGKSA-N 0 0 249.329 3.512 20 0 BHADRN COC1([C@@H](C)Nc2ccc(F)c(C)c2)CCC1 ZINC000657953046 487482636 /nfs/dbraw/zinc/48/26/36/487482636.db2.gz MKGQLHLSSHNCPH-LLVKDONJSA-N 0 0 237.318 3.504 20 0 BHADRN COC1([C@H](C)Nc2ccc(F)c(C)c2)CCC1 ZINC000657953047 487482776 /nfs/dbraw/zinc/48/27/76/487482776.db2.gz MKGQLHLSSHNCPH-NSHDSACASA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(NC2CC(CF)(CF)C2)c(C)c1 ZINC000657953121 487482846 /nfs/dbraw/zinc/48/28/46/487482846.db2.gz NDTIKWFLYVYOPD-UHFFFAOYSA-N 0 0 239.309 3.803 20 0 BHADRN Cc1cc(F)ccc1N[C@@H]1CCCSCC1 ZINC000657953144 487482768 /nfs/dbraw/zinc/48/27/68/487482768.db2.gz OAWNVSVOMWQNTF-GFCCVEGCSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1cc(F)ccc1N[C@H]1CCCSCC1 ZINC000657953145 487482848 /nfs/dbraw/zinc/48/28/48/487482848.db2.gz OAWNVSVOMWQNTF-LBPRGKRZSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1cccc(NC2CC(CF)(CF)C2)c1F ZINC000657953171 487482740 /nfs/dbraw/zinc/48/27/40/487482740.db2.gz DPVKKWOAOOXAAA-UHFFFAOYSA-N 0 0 243.272 3.634 20 0 BHADRN Cc1cccc(N[C@@H]2CCCSCC2)c1F ZINC000657953190 487482471 /nfs/dbraw/zinc/48/24/71/487482471.db2.gz FJVDMOUQUOIGEB-LLVKDONJSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1cccc(N[C@H]2CCCSCC2)c1F ZINC000657953191 487482714 /nfs/dbraw/zinc/48/27/14/487482714.db2.gz FJVDMOUQUOIGEB-NSHDSACASA-N 0 0 239.359 3.832 20 0 BHADRN Cc1cc(F)ccc1NC1CC(CF)(CF)C1 ZINC000657953405 411180088 /nfs/dbraw/zinc/18/00/88/411180088.db2.gz PLEURNBYWJVHHQ-UHFFFAOYSA-N 0 0 243.272 3.634 20 0 BHADRN CCOC1CCC(Nc2cscc2C)CC1 ZINC000657953513 411179902 /nfs/dbraw/zinc/17/99/02/411179902.db2.gz QPYINPABVMHUIE-UHFFFAOYSA-N 0 0 239.384 3.816 20 0 BHADRN Cc1ccc(F)c(NC2CC(CF)(CF)C2)c1 ZINC000657953526 411179650 /nfs/dbraw/zinc/17/96/50/411179650.db2.gz BIROVQFCYOWTJR-UHFFFAOYSA-N 0 0 243.272 3.634 20 0 BHADRN COC1([C@@H](C)Nc2ccc(C)cc2F)CCC1 ZINC000657953623 411179613 /nfs/dbraw/zinc/17/96/13/411179613.db2.gz DCZKNVXXPMEPCD-LLVKDONJSA-N 0 0 237.318 3.504 20 0 BHADRN COC1([C@H](C)Nc2ccc(C)cc2F)CCC1 ZINC000657953624 411179923 /nfs/dbraw/zinc/17/99/23/411179923.db2.gz DCZKNVXXPMEPCD-NSHDSACASA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(NC2CC(CF)(CF)C2)c(F)c1 ZINC000657954153 411180132 /nfs/dbraw/zinc/18/01/32/411180132.db2.gz FRVCRQAPVMUCEP-UHFFFAOYSA-N 0 0 243.272 3.634 20 0 BHADRN COC1([C@@H](C)Nc2cccc(C)c2F)CCC1 ZINC000657954243 411179567 /nfs/dbraw/zinc/17/95/67/411179567.db2.gz MCCWEXWWKBSSDN-LLVKDONJSA-N 0 0 237.318 3.504 20 0 BHADRN COC1([C@H](C)Nc2cccc(C)c2F)CCC1 ZINC000657954245 411180014 /nfs/dbraw/zinc/18/00/14/411180014.db2.gz MCCWEXWWKBSSDN-NSHDSACASA-N 0 0 237.318 3.504 20 0 BHADRN Cc1cscc1NC1CC(CF)(CF)C1 ZINC000657954569 411180109 /nfs/dbraw/zinc/18/01/09/411180109.db2.gz WAZVOBGHWZMPQM-UHFFFAOYSA-N 0 0 231.311 3.556 20 0 BHADRN CCc1ccc(N[C@@H]2COC3(CCC3)C2)cc1C ZINC000657954597 411179875 /nfs/dbraw/zinc/17/98/75/411179875.db2.gz UVBSCLUQDCJGGB-HNNXBMFYSA-N 0 0 245.366 3.681 20 0 BHADRN CCc1ccc(N[C@H]2COC3(CCC3)C2)cc1C ZINC000657954599 411180035 /nfs/dbraw/zinc/18/00/35/411180035.db2.gz UVBSCLUQDCJGGB-OAHLLOKOSA-N 0 0 245.366 3.681 20 0 BHADRN Fc1ccc(N[C@@H]2CCCSCC2)cc1F ZINC000657954866 411180192 /nfs/dbraw/zinc/18/01/92/411180192.db2.gz IJNAVFGRPGMMJR-SECBINFHSA-N 0 0 243.322 3.662 20 0 BHADRN Fc1ccc(N[C@H]2CCCSCC2)cc1F ZINC000657954867 411179622 /nfs/dbraw/zinc/17/96/22/411179622.db2.gz IJNAVFGRPGMMJR-VIFPVBQESA-N 0 0 243.322 3.662 20 0 BHADRN Cc1ccc(F)c(N[C@@H]2CCCSCC2)c1 ZINC000657954956 411179700 /nfs/dbraw/zinc/17/97/00/411179700.db2.gz KCWMVCMAXGNQLO-LLVKDONJSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1ccc(F)c(N[C@H]2CCCSCC2)c1 ZINC000657954959 411180021 /nfs/dbraw/zinc/18/00/21/411180021.db2.gz KCWMVCMAXGNQLO-NSHDSACASA-N 0 0 239.359 3.832 20 0 BHADRN Cc1cscc1N[C@H]1CCCSCC1 ZINC000657954960 411180153 /nfs/dbraw/zinc/18/01/53/411180153.db2.gz XQKKWSWSEASGDE-JTQLQIEISA-N 0 0 227.398 3.754 20 0 BHADRN Cc1cscc1N[C@@H]1CCCSCC1 ZINC000657954967 411180118 /nfs/dbraw/zinc/18/01/18/411180118.db2.gz XQKKWSWSEASGDE-SNVBAGLBSA-N 0 0 227.398 3.754 20 0 BHADRN COC1([C@@H](C)Nc2ccc(C3CC3)cc2)CCC1 ZINC000657955142 411179959 /nfs/dbraw/zinc/17/99/59/411179959.db2.gz RVJGGZCIDHCUDU-GFCCVEGCSA-N 0 0 245.366 3.934 20 0 BHADRN COC1([C@H](C)Nc2ccc(C3CC3)cc2)CCC1 ZINC000657955143 411179584 /nfs/dbraw/zinc/17/95/84/411179584.db2.gz RVJGGZCIDHCUDU-LBPRGKRZSA-N 0 0 245.366 3.934 20 0 BHADRN Cc1cc(NC2CC(CF)(CF)C2)ccc1F ZINC000657955512 411180791 /nfs/dbraw/zinc/18/07/91/411180791.db2.gz ZFPKUZXWAADAGV-UHFFFAOYSA-N 0 0 243.272 3.634 20 0 BHADRN Cc1ccc(N[C@@H]2CCCSCC2)c(F)c1 ZINC000657955803 411180958 /nfs/dbraw/zinc/18/09/58/411180958.db2.gz OKEWMMQFFCVNTP-LLVKDONJSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1ccc(N[C@H]2CCCSCC2)c(F)c1 ZINC000657955804 411180937 /nfs/dbraw/zinc/18/09/37/411180937.db2.gz OKEWMMQFFCVNTP-NSHDSACASA-N 0 0 239.359 3.832 20 0 BHADRN COC1([C@@H](C)Nc2cc(C)ccc2F)CCC1 ZINC000657955881 411180499 /nfs/dbraw/zinc/18/04/99/411180499.db2.gz QVWHMJUYGYHVPH-LLVKDONJSA-N 0 0 237.318 3.504 20 0 BHADRN COC1([C@H](C)Nc2cc(C)ccc2F)CCC1 ZINC000657955883 411181097 /nfs/dbraw/zinc/18/10/97/411181097.db2.gz QVWHMJUYGYHVPH-NSHDSACASA-N 0 0 237.318 3.504 20 0 BHADRN Cc1c(F)cccc1NC1CC(CF)(CF)C1 ZINC000657956876 411180601 /nfs/dbraw/zinc/18/06/01/411180601.db2.gz AWQCCKGDVCHSML-UHFFFAOYSA-N 0 0 243.272 3.634 20 0 BHADRN COC1([C@@H](C)Nc2cc(C)cc(F)c2)CCC1 ZINC000657957056 411181099 /nfs/dbraw/zinc/18/10/99/411181099.db2.gz FSGJSGLJMCPPPY-LLVKDONJSA-N 0 0 237.318 3.504 20 0 BHADRN COC1([C@H](C)Nc2cc(C)cc(F)c2)CCC1 ZINC000657957058 411180583 /nfs/dbraw/zinc/18/05/83/411180583.db2.gz FSGJSGLJMCPPPY-NSHDSACASA-N 0 0 237.318 3.504 20 0 BHADRN Cc1ccc(F)cc1NC1CC(CF)(CF)C1 ZINC000657957474 411181001 /nfs/dbraw/zinc/18/10/01/411181001.db2.gz BMAXAYJMLAJLPP-UHFFFAOYSA-N 0 0 243.272 3.634 20 0 BHADRN Cc1ccc(F)cc1N[C@@H]1CCCSCC1 ZINC000657957501 411181087 /nfs/dbraw/zinc/18/10/87/411181087.db2.gz CDVHTBLEPARXKA-GFCCVEGCSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1ccc(F)cc1N[C@H]1CCCSCC1 ZINC000657957502 411180628 /nfs/dbraw/zinc/18/06/28/411180628.db2.gz CDVHTBLEPARXKA-LBPRGKRZSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1ccc(C)c(NC2CC(CF)(CF)C2)c1 ZINC000657957531 411180421 /nfs/dbraw/zinc/18/04/21/411180421.db2.gz CMVYERFFIBDQED-UHFFFAOYSA-N 0 0 239.309 3.803 20 0 BHADRN Cc1cc(F)cc(N[C@@H]2CCCSCC2)c1 ZINC000657957613 411180949 /nfs/dbraw/zinc/18/09/49/411180949.db2.gz PIOWAEMDZPCXLL-GFCCVEGCSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1cc(F)cc(N[C@H]2CCCSCC2)c1 ZINC000657957614 411180451 /nfs/dbraw/zinc/18/04/51/411180451.db2.gz PIOWAEMDZPCXLL-LBPRGKRZSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1c(F)cccc1N[C@@H]1CCCSCC1 ZINC000657957802 411180501 /nfs/dbraw/zinc/18/05/01/411180501.db2.gz UMLSCBDMXAGQSB-LLVKDONJSA-N 0 0 239.359 3.832 20 0 BHADRN Cc1c(F)cccc1N[C@H]1CCCSCC1 ZINC000657957803 411181016 /nfs/dbraw/zinc/18/10/16/411181016.db2.gz UMLSCBDMXAGQSB-NSHDSACASA-N 0 0 239.359 3.832 20 0 BHADRN Cc1cc(F)cc(NC2CC(CF)(CF)C2)c1 ZINC000657958134 411180925 /nfs/dbraw/zinc/18/09/25/411180925.db2.gz YQFZIYXHZCTNJO-UHFFFAOYSA-N 0 0 243.272 3.634 20 0 BHADRN FCC1(CF)CC(Nc2ccccc2Cl)C1 ZINC000657958411 411180453 /nfs/dbraw/zinc/18/04/53/411180453.db2.gz NYXAYCVURDNJIM-UHFFFAOYSA-N 0 0 245.700 3.840 20 0 BHADRN FCCOc1cccc(N[C@H]2CCCC23CC3)c1 ZINC000657965645 411182009 /nfs/dbraw/zinc/18/20/09/411182009.db2.gz AKYQXMNNFWAILO-AWEZNQCLSA-N 0 0 249.329 3.780 20 0 BHADRN FCCOc1cccc(N[C@@H]2CCCC23CC3)c1 ZINC000657965646 411182040 /nfs/dbraw/zinc/18/20/40/411182040.db2.gz AKYQXMNNFWAILO-CQSZACIVSA-N 0 0 249.329 3.780 20 0 BHADRN c1cc2cccc(N[C@@H]3CCCSCC3)c2[nH]1 ZINC000657981946 411187232 /nfs/dbraw/zinc/18/72/32/411187232.db2.gz JCTBXSTWSWYYFS-GFCCVEGCSA-N 0 0 246.379 3.866 20 0 BHADRN c1cc2cccc(N[C@H]3CCCSCC3)c2[nH]1 ZINC000657981947 411187448 /nfs/dbraw/zinc/18/74/48/411187448.db2.gz JCTBXSTWSWYYFS-LBPRGKRZSA-N 0 0 246.379 3.866 20 0 BHADRN CC[C@@H](C)n1ncc(N[C@@H]2CCCC23CC3)c1C ZINC000657988639 491106355 /nfs/dbraw/zinc/10/63/55/491106355.db2.gz AOWJQRBOMZCHBF-BXUZGUMPSA-N 0 0 247.386 3.907 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H]2CCCC23CC3)c1C ZINC000657988646 491106372 /nfs/dbraw/zinc/10/63/72/491106372.db2.gz AOWJQRBOMZCHBF-FZMZJTMJSA-N 0 0 247.386 3.907 20 0 BHADRN CC[C@@H](C)n1ncc(N[C@H]2CCCC23CC3)c1C ZINC000657988649 491106409 /nfs/dbraw/zinc/10/64/09/491106409.db2.gz AOWJQRBOMZCHBF-RISCZKNCSA-N 0 0 247.386 3.907 20 0 BHADRN CC[C@H](C)n1ncc(N[C@@H]2CCCC23CC3)c1C ZINC000657988652 490299598 /nfs/dbraw/zinc/29/95/98/490299598.db2.gz AOWJQRBOMZCHBF-SMDDNHRTSA-N 0 0 247.386 3.907 20 0 BHADRN FC(F)C1(NC2CCC(C3CCC3)CC2)CC1 ZINC000658005295 411195736 /nfs/dbraw/zinc/19/57/36/411195736.db2.gz XWQKLBPYOWZYQV-UHFFFAOYSA-N 0 0 243.341 3.733 20 0 BHADRN CCc1cc(N[C@H]2COC3(CCC3)C2)ccc1F ZINC000658009786 411196499 /nfs/dbraw/zinc/19/64/99/411196499.db2.gz GHDBQZBAIIFMCW-CYBMUJFWSA-N 0 0 249.329 3.512 20 0 BHADRN CCc1cc(N[C@@H]2COC3(CCC3)C2)ccc1F ZINC000658009787 411196496 /nfs/dbraw/zinc/19/64/96/411196496.db2.gz GHDBQZBAIIFMCW-ZDUSSCGKSA-N 0 0 249.329 3.512 20 0 BHADRN c1cc(C2CC2)cc(N[C@@H]2CCCC23CC3)n1 ZINC000658018875 411198776 /nfs/dbraw/zinc/19/87/76/411198776.db2.gz HLCQRJBLOIQYEN-CYBMUJFWSA-N 0 0 228.339 3.704 20 0 BHADRN c1cc(C2CC2)cc(N[C@H]2CCCC23CC3)n1 ZINC000658018877 411198520 /nfs/dbraw/zinc/19/85/20/411198520.db2.gz HLCQRJBLOIQYEN-ZDUSSCGKSA-N 0 0 228.339 3.704 20 0 BHADRN CC[C@H](C)CC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000658122238 411251104 /nfs/dbraw/zinc/25/11/04/411251104.db2.gz SISLIMATHPPEQS-AAEUAGOBSA-N 0 0 238.350 3.698 20 0 BHADRN CC[C@@H](C)CC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000658122240 411251571 /nfs/dbraw/zinc/25/15/71/411251571.db2.gz SISLIMATHPPEQS-DGCLKSJQSA-N 0 0 238.350 3.698 20 0 BHADRN CC[C@@H]([NH2+]CC[C@@H](C)CC)c1ccc(F)cn1 ZINC000658122242 411251432 /nfs/dbraw/zinc/25/14/32/411251432.db2.gz SISLIMATHPPEQS-WCQYABFASA-N 0 0 238.350 3.698 20 0 BHADRN CC[C@@H](C)CC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000658122244 411250924 /nfs/dbraw/zinc/25/09/24/411250924.db2.gz SISLIMATHPPEQS-YPMHNXCESA-N 0 0 238.350 3.698 20 0 BHADRN CC[C@@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000658122250 411250909 /nfs/dbraw/zinc/25/09/09/411250909.db2.gz SPIYTNWTBREUGH-GHMZBOCLSA-N 0 0 240.778 3.822 20 0 BHADRN CC[C@@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000658122252 411251718 /nfs/dbraw/zinc/25/17/18/411251718.db2.gz SPIYTNWTBREUGH-MNOVXSKESA-N 0 0 240.778 3.822 20 0 BHADRN CC[C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000658122253 411251655 /nfs/dbraw/zinc/25/16/55/411251655.db2.gz SPIYTNWTBREUGH-QWRGUYRKSA-N 0 0 240.778 3.822 20 0 BHADRN CC[C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000658122255 411251616 /nfs/dbraw/zinc/25/16/16/411251616.db2.gz SPIYTNWTBREUGH-WDEREUQCSA-N 0 0 240.778 3.822 20 0 BHADRN C[C@@H](NCC(F)(F)C(C)(C)C)c1ccco1 ZINC000658337116 411345083 /nfs/dbraw/zinc/34/50/83/411345083.db2.gz NTPQYWPRQZFXTB-SECBINFHSA-N 0 0 231.286 3.612 20 0 BHADRN C[C@H](NCC(F)(F)C(C)(C)C)c1ccco1 ZINC000658337117 411345041 /nfs/dbraw/zinc/34/50/41/411345041.db2.gz NTPQYWPRQZFXTB-VIFPVBQESA-N 0 0 231.286 3.612 20 0 BHADRN C[C@@H](NCC(F)(F)C(C)(C)C)c1ccoc1 ZINC000658337139 411345402 /nfs/dbraw/zinc/34/54/02/411345402.db2.gz OTRXCFPOFJZLQM-SECBINFHSA-N 0 0 231.286 3.612 20 0 BHADRN C[C@H](NCC(F)(F)C(C)(C)C)c1ccoc1 ZINC000658337140 411344643 /nfs/dbraw/zinc/34/46/43/411344643.db2.gz OTRXCFPOFJZLQM-VIFPVBQESA-N 0 0 231.286 3.612 20 0 BHADRN Cc1ccc([C@H](C)NCC(F)(F)C(C)(C)C)o1 ZINC000658337194 411345176 /nfs/dbraw/zinc/34/51/76/411345176.db2.gz QKDASTFLYVJDGN-JTQLQIEISA-N 0 0 245.313 3.920 20 0 BHADRN Cc1ccc([C@@H](C)NCC(F)(F)C(C)(C)C)o1 ZINC000658337197 411345018 /nfs/dbraw/zinc/34/50/18/411345018.db2.gz QKDASTFLYVJDGN-SNVBAGLBSA-N 0 0 245.313 3.920 20 0 BHADRN CC(C)(C(=O)N1C2CCCC1CCC2)C1CCC1 ZINC000659459422 411417237 /nfs/dbraw/zinc/41/72/37/411417237.db2.gz AQDNRUVVEPABOI-UHFFFAOYSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H]1CCC[C@]1(C)C(=O)N1C2CCCC1CCC2 ZINC000659459554 411417342 /nfs/dbraw/zinc/41/73/42/411417342.db2.gz IKVGGVUUPQRYFW-USPMSXPRSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1CCC[C@@]1(C)C(=O)N1C2CCCC1CCC2 ZINC000659459555 411417381 /nfs/dbraw/zinc/41/73/81/411417381.db2.gz IKVGGVUUPQRYFW-UWLZSVRSSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@H]1CCC[C@@]1(C)C(=O)N1C2CCCC1CCC2 ZINC000659459556 411417150 /nfs/dbraw/zinc/41/71/50/411417150.db2.gz IKVGGVUUPQRYFW-WLIAPVHPSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H]1CCC[C@]1(C)C(=O)N1C2CCCC1CCC2 ZINC000659459557 411417274 /nfs/dbraw/zinc/41/72/74/411417274.db2.gz IKVGGVUUPQRYFW-WOICTCIZSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@]1(C(=O)N2C3CCCC2CCC3)CC=CCC1 ZINC000659459576 411453079 /nfs/dbraw/zinc/45/30/79/411453079.db2.gz QZJRAVUNJYIJRK-XUJLQICISA-N 0 0 247.382 3.666 20 0 BHADRN C[C@@]1(C(=O)N2C3CCCC2CCC3)CC=CCC1 ZINC000659459577 411452909 /nfs/dbraw/zinc/45/29/09/411452909.db2.gz QZJRAVUNJYIJRK-ZBCRRDGASA-N 0 0 247.382 3.666 20 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411482928 /nfs/dbraw/zinc/48/29/28/411482928.db2.gz GUDXDXFHLKBTOW-VIFPVBQESA-N 0 0 243.288 3.645 20 0 BHADRN CCC(CC)[N@H+](Cc1cc(C2CC2)no1)C1CC1 ZINC000659870535 411485063 /nfs/dbraw/zinc/48/50/63/411485063.db2.gz KBWUHSRZXNJEKT-UHFFFAOYSA-N 0 0 248.370 3.705 20 0 BHADRN C[N@H+](Cc1nsc2ccccc21)CC(C)(C)C ZINC000659870584 411484749 /nfs/dbraw/zinc/48/47/49/411484749.db2.gz DOTIWXCDRWZGFE-UHFFFAOYSA-N 0 0 248.395 3.774 20 0 BHADRN CC(C)c1cccc(CN(C)CC(F)F)c1 ZINC000659877422 411487481 /nfs/dbraw/zinc/48/74/81/411487481.db2.gz FSXUTBKSFCEJKH-UHFFFAOYSA-N 0 0 227.298 3.507 20 0 BHADRN CC[C@H](CC(F)F)CN(CC)CC(F)(F)F ZINC000659920218 411499513 /nfs/dbraw/zinc/49/95/13/411499513.db2.gz OGRFRVBMDOXMKX-MRVPVSSYSA-N 0 0 247.251 3.552 20 0 BHADRN CC[C@@H](CC(F)F)CN(CC)CC(F)(F)F ZINC000659920219 411496920 /nfs/dbraw/zinc/49/69/20/411496920.db2.gz OGRFRVBMDOXMKX-QMMMGPOBSA-N 0 0 247.251 3.552 20 0 BHADRN CCCN(CCC=C(C)C)CC(F)(F)F ZINC000659922462 411498772 /nfs/dbraw/zinc/49/87/72/411498772.db2.gz 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237.293 3.637 20 0 BHADRN CC(C)N(C(=O)[C@H]1C[C@@H]1C)[C@H](C)c1ccccc1 ZINC000661038923 487873323 /nfs/dbraw/zinc/87/33/23/487873323.db2.gz AIGFDPAMYCFSII-GUTXKFCHSA-N 0 0 245.366 3.641 20 0 BHADRN CC(C)N(C(=O)[C@@H]1C[C@H]1C)[C@H](C)c1ccccc1 ZINC000661038924 487873404 /nfs/dbraw/zinc/87/34/04/487873404.db2.gz AIGFDPAMYCFSII-UMVBOHGHSA-N 0 0 245.366 3.641 20 0 BHADRN CC(C)N(C(=O)[C@@H]1C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000661038925 487873074 /nfs/dbraw/zinc/87/30/74/487873074.db2.gz AIGFDPAMYCFSII-VNHYZAJKSA-N 0 0 245.366 3.641 20 0 BHADRN CC(C)N(C(=O)[C@H]1C[C@@H]1C)[C@@H](C)c1ccccc1 ZINC000661038926 487873048 /nfs/dbraw/zinc/87/30/48/487873048.db2.gz AIGFDPAMYCFSII-YDHLFZDLSA-N 0 0 245.366 3.641 20 0 BHADRN CC(C)N(C(=O)[C@H]1C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000661051714 410086765 /nfs/dbraw/zinc/08/67/65/410086765.db2.gz AIGFDPAMYCFSII-IPYPFGDCSA-N 0 0 245.366 3.641 20 0 BHADRN CC(C)N(C(=O)[C@H]1C[C@H]1C)[C@H](C)c1ccccc1 ZINC000661051716 410086689 /nfs/dbraw/zinc/08/66/89/410086689.db2.gz 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242.413 3.847 20 0 BHADRN CCC(CC)CCCN(C)C(=O)NC(C)(C)C ZINC000663235893 412396740 /nfs/dbraw/zinc/39/67/40/412396740.db2.gz PNPBWGQEZDFVEN-UHFFFAOYSA-N 0 0 242.407 3.643 20 0 BHADRN CC(C)n1ccnc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663239850 410085708 /nfs/dbraw/zinc/08/57/08/410085708.db2.gz VDQNTSVEVSRHDK-ZSBIGDGJSA-N 0 0 236.384 3.602 20 0 BHADRN Oc1ccccc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663242557 412399456 /nfs/dbraw/zinc/39/94/56/412399456.db2.gz RAVRYSNJXIIDEJ-JGPRNRPPSA-N 0 0 220.337 3.530 20 0 BHADRN Oc1ccc(SC[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000663243160 412399824 /nfs/dbraw/zinc/39/98/24/412399824.db2.gz WZGFTALLKPIGBY-JGPRNRPPSA-N 0 0 220.337 3.530 20 0 BHADRN c1nn(C[C@@H]2C[C@H]3C[C@H]3C2)cc1-c1ccccc1 ZINC000663243224 410086646 /nfs/dbraw/zinc/08/66/46/410086646.db2.gz FGFPEEUIAHLKJO-YOWGUQMCSA-N 0 0 238.334 3.596 20 0 BHADRN CC(C)c1cccc(CSc2cnccn2)c1 ZINC000663243626 412399798 /nfs/dbraw/zinc/39/97/98/412399798.db2.gz NSYSHNMTUITSAD-UHFFFAOYSA-N 0 0 244.363 3.892 20 0 BHADRN 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Cc1ccccc1-c1noc([C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000663304541 412413138 /nfs/dbraw/zinc/41/31/38/412413138.db2.gz IFNHTIPPHYSLPJ-GDNZZTSVSA-N 0 0 240.306 3.559 20 0 BHADRN Cc1noc(-c2cccc(C3CCCC3)c2)n1 ZINC000663304633 412412670 /nfs/dbraw/zinc/41/26/70/412412670.db2.gz IJNDMKZLOJLAER-UHFFFAOYSA-N 0 0 228.295 3.703 20 0 BHADRN Cc1noc([C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000663305082 412412931 /nfs/dbraw/zinc/41/29/31/412412931.db2.gz LIXZQFOROUPFSS-KBPBESRZSA-N 0 0 242.322 3.504 20 0 BHADRN Cc1noc([C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000663305087 412412771 /nfs/dbraw/zinc/41/27/71/412412771.db2.gz LIXZQFOROUPFSS-KGLIPLIRSA-N 0 0 242.322 3.504 20 0 BHADRN Cc1noc([C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000663305089 412413061 /nfs/dbraw/zinc/41/30/61/412413061.db2.gz LIXZQFOROUPFSS-UONOGXRCSA-N 0 0 242.322 3.504 20 0 BHADRN Cc1noc([C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000663305091 412413277 /nfs/dbraw/zinc/41/32/77/412413277.db2.gz LIXZQFOROUPFSS-ZIAGYGMSSA-N 0 0 242.322 3.504 20 0 BHADRN 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CC(C)c1noc(-c2ccsc2Cl)n1 ZINC000663306020 412413242 /nfs/dbraw/zinc/41/32/42/412413242.db2.gz GFHFILMVFDANQD-UHFFFAOYSA-N 0 0 228.704 3.575 20 0 BHADRN Fc1cccc(-c2noc(C3CC4(CC4)C3)n2)c1 ZINC000663306229 412413111 /nfs/dbraw/zinc/41/31/11/412413111.db2.gz TZIOOSXNTKWJFM-UHFFFAOYSA-N 0 0 244.269 3.533 20 0 BHADRN C(c1noc(C2CCC(C3CC3)CC2)n1)C1CC1 ZINC000663306353 412413028 /nfs/dbraw/zinc/41/30/28/412413028.db2.gz RJQPFSHVNGSFEG-UHFFFAOYSA-N 0 0 246.354 3.706 20 0 BHADRN C(c1noc([C@H]2[C@@H]3CCCCCC[C@@H]32)n1)C1CC1 ZINC000663306420 487914980 /nfs/dbraw/zinc/91/49/80/487914980.db2.gz UXPBMQWTCGLGLU-IMRBUKKESA-N 0 0 246.354 3.706 20 0 BHADRN C(c1noc(C2[C@H]3CCCCCC[C@H]23)n1)C1CC1 ZINC000663306421 487914717 /nfs/dbraw/zinc/91/47/17/487914717.db2.gz UXPBMQWTCGLGLU-RYUDHWBXSA-N 0 0 246.354 3.706 20 0 BHADRN C(c1noc(C2[C@@H]3CCCCCC[C@@H]23)n1)C1CC1 ZINC000663306423 487914301 /nfs/dbraw/zinc/91/43/01/487914301.db2.gz UXPBMQWTCGLGLU-VXGBXAGGSA-N 0 0 246.354 3.706 20 0 BHADRN CC(C)c1noc(C2CCC(C3CC3)CC2)n1 ZINC000663306730 412413053 /nfs/dbraw/zinc/41/30/53/412413053.db2.gz NTOROPRJMPKJLV-UHFFFAOYSA-N 0 0 234.343 3.877 20 0 BHADRN CC(C)c1noc(C2CCC3(CC3)CC2)n1 ZINC000663307417 412414555 /nfs/dbraw/zinc/41/45/55/412414555.db2.gz YHUIZDBMEDYZGN-UHFFFAOYSA-N 0 0 220.316 3.631 20 0 BHADRN C[C@H]1C[C@H]1c1noc(-c2ccsc2Cl)n1 ZINC000663307680 412414172 /nfs/dbraw/zinc/41/41/72/412414172.db2.gz DXIGCXHYWXSWHN-CAHLUQPWSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(-c2ccsc2Cl)n1 ZINC000663307681 412414343 /nfs/dbraw/zinc/41/43/43/412414343.db2.gz DXIGCXHYWXSWHN-FSPLSTOPSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(-c2ccsc2Cl)n1 ZINC000663307682 412414195 /nfs/dbraw/zinc/41/41/95/412414195.db2.gz DXIGCXHYWXSWHN-IYSWYEEDSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(-c2ccsc2Cl)n1 ZINC000663307683 412413840 /nfs/dbraw/zinc/41/38/40/412413840.db2.gz DXIGCXHYWXSWHN-VDTYLAMSSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@@H]1C[C@H]1c1noc([C@@H]2CCCC3(CC3)C2)n1 ZINC000663308121 412414073 /nfs/dbraw/zinc/41/40/73/412414073.db2.gz JYUJIKPAASFLRC-GMTAPVOTSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc([C@@H]2CCCC3(CC3)C2)n1 ZINC000663308122 412414567 /nfs/dbraw/zinc/41/45/67/412414567.db2.gz JYUJIKPAASFLRC-MXWKQRLJSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1C[C@H]1c1noc([C@H]2CCCC3(CC3)C2)n1 ZINC000663308123 412414060 /nfs/dbraw/zinc/41/40/60/412414060.db2.gz JYUJIKPAASFLRC-OUAUKWLOSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc([C@H]2CCCC3(CC3)C2)n1 ZINC000663308124 412410834 /nfs/dbraw/zinc/41/08/34/412410834.db2.gz JYUJIKPAASFLRC-VWYCJHECSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(C2CCC(C3CC3)CC2)n1 ZINC000663308160 412414278 /nfs/dbraw/zinc/41/42/78/412414278.db2.gz KSLOFJSMSACLGK-QWCHVHKLSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(C2CCC(C3CC3)CC2)n1 ZINC000663308176 412414085 /nfs/dbraw/zinc/41/40/85/412414085.db2.gz KSLOFJSMSACLGK-SARFZWSYSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@H]1C[C@H]1c1noc(C2CCC(C3CC3)CC2)n1 ZINC000663308178 412414067 /nfs/dbraw/zinc/41/40/67/412414067.db2.gz KSLOFJSMSACLGK-ZHYKRGJUSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(C2CCC(C3CC3)CC2)n1 ZINC000663308180 412414667 /nfs/dbraw/zinc/41/46/67/412414667.db2.gz KSLOFJSMSACLGK-ZIUBGBMXSA-N 0 0 246.354 3.877 20 0 BHADRN c1coc(-c2noc(C3CCC4(CC4)CC3)n2)c1 ZINC000663308281 412411789 /nfs/dbraw/zinc/41/17/89/412411789.db2.gz MXVXLOMRXSAYCL-UHFFFAOYSA-N 0 0 244.294 3.767 20 0 BHADRN C[C@H]1C[C@H]1c1noc(C2CCC3(CC3)CC2)n1 ZINC000663308804 412414204 /nfs/dbraw/zinc/41/42/04/412414204.db2.gz QGCXIAAYJPVVMK-GXSJLCMTSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(C2CCC3(CC3)CC2)n1 ZINC000663308805 412414440 /nfs/dbraw/zinc/41/44/40/412414440.db2.gz QGCXIAAYJPVVMK-KOLCDFICSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(C2CCC3(CC3)CC2)n1 ZINC000663308806 412414337 /nfs/dbraw/zinc/41/43/37/412414337.db2.gz QGCXIAAYJPVVMK-MWLCHTKSSA-N 0 0 232.327 3.631 20 0 BHADRN C[C@H]1C[C@@H]1c1noc(C2CCC3(CC3)CC2)n1 ZINC000663308807 412414015 /nfs/dbraw/zinc/41/40/15/412414015.db2.gz QGCXIAAYJPVVMK-ONGXEEELSA-N 0 0 232.327 3.631 20 0 BHADRN c1coc(-c2noc([C@H]3CCCC4(CC4)C3)n2)c1 ZINC000663309872 487915611 /nfs/dbraw/zinc/91/56/11/487915611.db2.gz YJMDGYOPFSSNSA-JTQLQIEISA-N 0 0 244.294 3.767 20 0 BHADRN c1coc(-c2noc([C@@H]3CCCC4(CC4)C3)n2)c1 ZINC000663309880 487915722 /nfs/dbraw/zinc/91/57/22/487915722.db2.gz YJMDGYOPFSSNSA-SNVBAGLBSA-N 0 0 244.294 3.767 20 0 BHADRN Fc1ccccc1-c1noc(C2CC3(CC3)C2)n1 ZINC000663309909 411621782 /nfs/dbraw/zinc/62/17/82/411621782.db2.gz YSIHDKLPOQPVGA-UHFFFAOYSA-N 0 0 244.269 3.533 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc([C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000663310340 411621503 /nfs/dbraw/zinc/62/15/03/411621503.db2.gz XTCIRDZOTMJANZ-BNDIWNMDSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(C2[C@@H]3CCCCCC[C@@H]23)n1 ZINC000663310341 411621655 /nfs/dbraw/zinc/62/16/55/411621655.db2.gz XTCIRDZOTMJANZ-KKOKHZNYSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1C[C@H]1c1noc([C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000663310343 411621769 /nfs/dbraw/zinc/62/17/69/411621769.db2.gz XTCIRDZOTMJANZ-LBELIVKGSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(C2[C@H]3CCCCCC[C@H]23)n1 ZINC000663310344 411621679 /nfs/dbraw/zinc/62/16/79/411621679.db2.gz XTCIRDZOTMJANZ-RHYQMDGZSA-N 0 0 246.354 3.877 20 0 BHADRN CC(C)(C)c1cc(Oc2ccc(F)cc2)ncn1 ZINC000663314434 411622118 /nfs/dbraw/zinc/62/21/18/411622118.db2.gz FROWLMIEMJEQGT-UHFFFAOYSA-N 0 0 246.285 3.706 20 0 BHADRN CC(=O)c1ccnc(NCCC2=CCCCC2)c1 ZINC000663314547 411622485 /nfs/dbraw/zinc/62/24/85/411622485.db2.gz PYWRDLPCHKRMPG-UHFFFAOYSA-N 0 0 244.338 3.587 20 0 BHADRN CC(C)(C)c1cc(Oc2cccc(F)c2)ncn1 ZINC000663315375 411622165 /nfs/dbraw/zinc/62/21/65/411622165.db2.gz UTMSTOLXHHCGQH-UHFFFAOYSA-N 0 0 246.285 3.706 20 0 BHADRN CCn1cc(NCc2cccc(C(C)C)c2)cn1 ZINC000663319453 411624500 /nfs/dbraw/zinc/62/45/00/411624500.db2.gz BYUPQLYWICDULG-UHFFFAOYSA-N 0 0 243.354 3.639 20 0 BHADRN Cc1ccc(Oc2cccc(C(C)(C)C)c2)nn1 ZINC000663319955 411623972 /nfs/dbraw/zinc/62/39/72/411623972.db2.gz XKUSTBWKJRQBMT-UHFFFAOYSA-N 0 0 242.322 3.875 20 0 BHADRN CC(C)c1cccc(CNC2(C(F)F)CC2)c1 ZINC000663322254 411624003 /nfs/dbraw/zinc/62/40/03/411624003.db2.gz GDZOAYSFEYEYIV-UHFFFAOYSA-N 0 0 239.309 3.697 20 0 BHADRN CC[C@H](Nc1ccc(C)nn1)c1ccc(C)cc1 ZINC000663333125 410135505 /nfs/dbraw/zinc/13/55/05/410135505.db2.gz BNRSUYLOCATDBB-AWEZNQCLSA-N 0 0 241.338 3.657 20 0 BHADRN CC[C@@H](Nc1ccc(C)nn1)c1ccc(C)cc1 ZINC000663333126 410135117 /nfs/dbraw/zinc/13/51/17/410135117.db2.gz BNRSUYLOCATDBB-CQSZACIVSA-N 0 0 241.338 3.657 20 0 BHADRN Cc1ccc(Oc2cccc(C(C)C)c2)nn1 ZINC000663335873 411628122 /nfs/dbraw/zinc/62/81/22/411628122.db2.gz WHUJVDBQADHASC-UHFFFAOYSA-N 0 0 228.295 3.701 20 0 BHADRN CCC[C@H](Nc1ccc(C)nn1)c1ccccc1 ZINC000663338675 411629739 /nfs/dbraw/zinc/62/97/39/411629739.db2.gz MGQFBXDXJWQZQE-AWEZNQCLSA-N 0 0 241.338 3.738 20 0 BHADRN CCC[C@@H](Nc1ccc(C)nn1)c1ccccc1 ZINC000663338678 411629405 /nfs/dbraw/zinc/62/94/05/411629405.db2.gz MGQFBXDXJWQZQE-CQSZACIVSA-N 0 0 241.338 3.738 20 0 BHADRN CC(C)C[C@H](Nc1cnccn1)c1ccccc1 ZINC000663343266 411633514 /nfs/dbraw/zinc/63/35/14/411633514.db2.gz KKVYXUDMOQMWCS-AWEZNQCLSA-N 0 0 241.338 3.676 20 0 BHADRN CC(C)C[C@@H](Nc1cnccn1)c1ccccc1 ZINC000663343267 411633262 /nfs/dbraw/zinc/63/32/62/411633262.db2.gz KKVYXUDMOQMWCS-CQSZACIVSA-N 0 0 241.338 3.676 20 0 BHADRN Cc1cc(C)c(C)c(Oc2ccc(C)nn2)c1 ZINC000663346338 411634410 /nfs/dbraw/zinc/63/44/10/411634410.db2.gz KKRHGPQDSRTOMQ-UHFFFAOYSA-N 0 0 228.295 3.503 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)N[C@H](C)c1ccccc1 ZINC000663402992 411649080 /nfs/dbraw/zinc/64/90/80/411649080.db2.gz QDLFCACXTGTCFY-CHWSQXEVSA-N 0 0 248.370 3.578 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)N[C@@H](C)c1ccccc1 ZINC000663402993 411649721 /nfs/dbraw/zinc/64/97/21/411649721.db2.gz QDLFCACXTGTCFY-OLZOCXBDSA-N 0 0 248.370 3.578 20 0 BHADRN CC[C@H](C)N(CC)C(=O)N[C@H](C)c1ccccc1 ZINC000663402994 411649163 /nfs/dbraw/zinc/64/91/63/411649163.db2.gz QDLFCACXTGTCFY-QWHCGFSZSA-N 0 0 248.370 3.578 20 0 BHADRN CC[C@H](C)N(CC)C(=O)N[C@@H](C)c1ccccc1 ZINC000663402995 411648797 /nfs/dbraw/zinc/64/87/97/411648797.db2.gz QDLFCACXTGTCFY-STQMWFEESA-N 0 0 248.370 3.578 20 0 BHADRN Cc1ccc([C@@H](C)Nc2ccc(C)nn2)c(C)c1 ZINC000663404948 411648983 /nfs/dbraw/zinc/64/89/83/411648983.db2.gz LJECZGPQXHVKJP-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc([C@H](C)Nc2ccc(C)nn2)c(C)c1 ZINC000663404950 411648743 /nfs/dbraw/zinc/64/87/43/411648743.db2.gz LJECZGPQXHVKJP-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)NC1CCCCCC1 ZINC000663410530 411650977 /nfs/dbraw/zinc/65/09/77/411650977.db2.gz CLXQYMWJGRBJIB-GFCCVEGCSA-N 0 0 240.391 3.539 20 0 BHADRN CC[C@H](C)N(CC)C(=O)NC1CCCCCC1 ZINC000663410531 411651209 /nfs/dbraw/zinc/65/12/09/411651209.db2.gz CLXQYMWJGRBJIB-LBPRGKRZSA-N 0 0 240.391 3.539 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)N[C@H](C)CCC(C)C ZINC000663410622 411650759 /nfs/dbraw/zinc/65/07/59/411650759.db2.gz CULRUKGNSGJULE-CHWSQXEVSA-N 0 0 242.407 3.641 20 0 BHADRN CC[C@H](C)N(CC)C(=O)N[C@H](C)CCC(C)C ZINC000663410623 411650413 /nfs/dbraw/zinc/65/04/13/411650413.db2.gz CULRUKGNSGJULE-OLZOCXBDSA-N 0 0 242.407 3.641 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)N[C@@H](C)CCC(C)C ZINC000663410624 411650739 /nfs/dbraw/zinc/65/07/39/411650739.db2.gz CULRUKGNSGJULE-QWHCGFSZSA-N 0 0 242.407 3.641 20 0 BHADRN CC[C@H](C)N(CC)C(=O)N[C@@H](C)CCC(C)C ZINC000663410625 411648083 /nfs/dbraw/zinc/64/80/83/411648083.db2.gz CULRUKGNSGJULE-STQMWFEESA-N 0 0 242.407 3.641 20 0 BHADRN CC(=O)c1ccnc(N[C@H](C)CCC(C)C)c1 ZINC000663426239 411657411 /nfs/dbraw/zinc/65/74/11/411657411.db2.gz XFLRXZSJYDFRNU-LLVKDONJSA-N 0 0 234.343 3.521 20 0 BHADRN CC(=O)c1ccnc(N[C@@H](C)CCC(C)C)c1 ZINC000663426240 411657752 /nfs/dbraw/zinc/65/77/52/411657752.db2.gz XFLRXZSJYDFRNU-NSHDSACASA-N 0 0 234.343 3.521 20 0 BHADRN CCCC(CCC)Sc1cnccn1 ZINC000663472836 411667997 /nfs/dbraw/zinc/66/79/97/411667997.db2.gz BAWMLXWPLGYOLJ-UHFFFAOYSA-N 0 0 210.346 3.538 20 0 BHADRN CCCC(CCC)Sc1ccc(C)nn1 ZINC000663474045 411668435 /nfs/dbraw/zinc/66/84/35/411668435.db2.gz KPEDHXFRGJZJBZ-UHFFFAOYSA-N 0 0 224.373 3.846 20 0 BHADRN Cc1ccc(S[C@@H]2CCc3ccccc32)nn1 ZINC000663475037 411668458 /nfs/dbraw/zinc/66/84/58/411668458.db2.gz RYUJTVHGWAEHTO-CYBMUJFWSA-N 0 0 242.347 3.565 20 0 BHADRN Cc1ccc(S[C@H]2CCc3ccccc32)nn1 ZINC000663475038 411667971 /nfs/dbraw/zinc/66/79/71/411667971.db2.gz RYUJTVHGWAEHTO-ZDUSSCGKSA-N 0 0 242.347 3.565 20 0 BHADRN Cc1ccc(C)c(CSc2ccc(C)nn2)c1 ZINC000663569564 411704373 /nfs/dbraw/zinc/70/43/73/411704373.db2.gz HOMJJEAQBRNOMW-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cc(C)cc([C@@H](C)Nc2ccc(C)nn2)c1 ZINC000663575078 411703394 /nfs/dbraw/zinc/70/33/94/411703394.db2.gz UYQMFJUTFCJYKX-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cc(C)cc([C@H](C)Nc2ccc(C)nn2)c1 ZINC000663575080 411704106 /nfs/dbraw/zinc/70/41/06/411704106.db2.gz UYQMFJUTFCJYKX-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(SCCCc2ccccc2)nn1 ZINC000663593110 411706357 /nfs/dbraw/zinc/70/63/57/411706357.db2.gz UZOYHAZWUJDNHR-UHFFFAOYSA-N 0 0 244.363 3.510 20 0 BHADRN Cc1ccccc1[C@@H](Nc1cnccn1)C(C)C ZINC000663595073 411707994 /nfs/dbraw/zinc/70/79/94/411707994.db2.gz QFJZVAHVHJOGNL-HNNXBMFYSA-N 0 0 241.338 3.594 20 0 BHADRN Cc1ccccc1[C@H](Nc1cnccn1)C(C)C ZINC000663595074 411708620 /nfs/dbraw/zinc/70/86/20/411708620.db2.gz QFJZVAHVHJOGNL-OAHLLOKOSA-N 0 0 241.338 3.594 20 0 BHADRN Cc1ccc(N[C@H](C)c2cccc(C)c2C)nn1 ZINC000663617808 411710082 /nfs/dbraw/zinc/71/00/82/411710082.db2.gz HWSWEPPGGSHGSL-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cccc(C)c2C)nn1 ZINC000663617809 411710182 /nfs/dbraw/zinc/71/01/82/411710182.db2.gz HWSWEPPGGSHGSL-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN CC(=O)c1ccnc(NCCCC(C)(C)C)c1 ZINC000663648649 411714774 /nfs/dbraw/zinc/71/47/74/411714774.db2.gz ZNCYXBNQOPTWDY-UHFFFAOYSA-N 0 0 234.343 3.522 20 0 BHADRN CC(=O)c1ccnc(N[C@H](C)C2CCCCC2)c1 ZINC000663656885 411715481 /nfs/dbraw/zinc/71/54/81/411715481.db2.gz AVFADVQEKXIRQU-LLVKDONJSA-N 0 0 246.354 3.665 20 0 BHADRN CC(=O)c1ccnc(N[C@@H](C)C2CCCCC2)c1 ZINC000663656886 411715594 /nfs/dbraw/zinc/71/55/94/411715594.db2.gz AVFADVQEKXIRQU-NSHDSACASA-N 0 0 246.354 3.665 20 0 BHADRN CC[C@@H](C)C[C@@H](C)Nc1cc(C(C)=O)ccn1 ZINC000663669058 411718445 /nfs/dbraw/zinc/71/84/45/411718445.db2.gz IHKNPPWVXPVCPC-GHMZBOCLSA-N 0 0 234.343 3.521 20 0 BHADRN CC[C@@H](C)C[C@H](C)Nc1cc(C(C)=O)ccn1 ZINC000663669059 488078986 /nfs/dbraw/zinc/07/89/86/488078986.db2.gz IHKNPPWVXPVCPC-MNOVXSKESA-N 0 0 234.343 3.521 20 0 BHADRN CC[C@H](C)C[C@H](C)Nc1cc(C(C)=O)ccn1 ZINC000663669060 488079000 /nfs/dbraw/zinc/07/90/00/488079000.db2.gz IHKNPPWVXPVCPC-QWRGUYRKSA-N 0 0 234.343 3.521 20 0 BHADRN CC[C@H](C)C[C@@H](C)Nc1cc(C(C)=O)ccn1 ZINC000663669061 488079004 /nfs/dbraw/zinc/07/90/04/488079004.db2.gz IHKNPPWVXPVCPC-WDEREUQCSA-N 0 0 234.343 3.521 20 0 BHADRN CC(C)C[C@@H](Nc1cnccn1)c1cccs1 ZINC000663695900 411723855 /nfs/dbraw/zinc/72/38/55/411723855.db2.gz OVOCUXZLLBFNTE-LLVKDONJSA-N 0 0 247.367 3.737 20 0 BHADRN CC(C)C[C@H](Nc1cnccn1)c1cccs1 ZINC000663695902 411724641 /nfs/dbraw/zinc/72/46/41/411724641.db2.gz OVOCUXZLLBFNTE-NSHDSACASA-N 0 0 247.367 3.737 20 0 BHADRN CC(C)(C)[C@@H](Nc1cnccn1)c1ccccc1 ZINC000663705912 411727722 /nfs/dbraw/zinc/72/77/22/411727722.db2.gz WTSXAEPLVUJUOE-AWEZNQCLSA-N 0 0 241.338 3.676 20 0 BHADRN CC(C)(C)[C@H](Nc1cnccn1)c1ccccc1 ZINC000663705913 411728059 /nfs/dbraw/zinc/72/80/59/411728059.db2.gz WTSXAEPLVUJUOE-CQSZACIVSA-N 0 0 241.338 3.676 20 0 BHADRN Cc1cc(C)cc(CSc2ccc(C)nn2)c1 ZINC000663706684 411727424 /nfs/dbraw/zinc/72/74/24/411727424.db2.gz FGCCVBWQLGVOSF-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN CC(=O)c1ccnc(NCC2(CC(C)C)CC2)c1 ZINC000663706780 411726903 /nfs/dbraw/zinc/72/69/03/411726903.db2.gz AUZUZVYALAMWOJ-UHFFFAOYSA-N 0 0 246.354 3.522 20 0 BHADRN Cc1ccc(SCc2ccc(C)c(C)c2)nn1 ZINC000663712172 411729420 /nfs/dbraw/zinc/72/94/20/411729420.db2.gz HXVHZKZYXPMLMQ-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cc(C(F)(F)F)cc(NC2CC=CC2)n1 ZINC000663717337 411731955 /nfs/dbraw/zinc/73/19/55/411731955.db2.gz UDHYLSNUVPRJGI-UHFFFAOYSA-N 0 0 242.244 3.539 20 0 BHADRN Cc1ccc(NCc2cccc(C(C)C)c2)nn1 ZINC000663816481 411752671 /nfs/dbraw/zinc/75/26/71/411752671.db2.gz VLXMUXTUHQIAOZ-UHFFFAOYSA-N 0 0 241.338 3.521 20 0 BHADRN Cc1ccc(SC2CCC(C)(C)CC2)nn1 ZINC000663836463 411757776 /nfs/dbraw/zinc/75/77/76/411757776.db2.gz JJPFRFVIOICHCQ-UHFFFAOYSA-N 0 0 236.384 3.846 20 0 BHADRN Cc1cnc(SC(C)(C)c2ccccc2)nc1 ZINC000663853348 411762657 /nfs/dbraw/zinc/76/26/57/411762657.db2.gz KRLJFHOYZVLLQV-UHFFFAOYSA-N 0 0 244.363 3.812 20 0 BHADRN Cc1ccc(SC(C)(C)c2ccccc2)nn1 ZINC000663854237 411762548 /nfs/dbraw/zinc/76/25/48/411762548.db2.gz SSVVPOOOEVLVJP-UHFFFAOYSA-N 0 0 244.363 3.812 20 0 BHADRN Cc1ccc(SC[C@@H](C)c2ccccc2)nn1 ZINC000663856827 411762564 /nfs/dbraw/zinc/76/25/64/411762564.db2.gz CEOONYVBOHTOGU-LLVKDONJSA-N 0 0 244.363 3.681 20 0 BHADRN Cc1ccc(SC[C@H](C)c2ccccc2)nn1 ZINC000663856828 411762902 /nfs/dbraw/zinc/76/29/02/411762902.db2.gz CEOONYVBOHTOGU-NSHDSACASA-N 0 0 244.363 3.681 20 0 BHADRN CC(C)c1ccc2ncnc(N[C@@H](C)CF)c2c1 ZINC000663911782 411772885 /nfs/dbraw/zinc/77/28/85/411772885.db2.gz HGFOVCRVDVQEBQ-JTQLQIEISA-N 0 0 247.317 3.523 20 0 BHADRN CC(C)c1ccc2ncnc(N[C@H](C)CF)c2c1 ZINC000663911783 411773313 /nfs/dbraw/zinc/77/33/13/411773313.db2.gz HGFOVCRVDVQEBQ-SNVBAGLBSA-N 0 0 247.317 3.523 20 0 BHADRN CCCc1nc(C)c(COc2cccc(C)c2)o1 ZINC000663914518 411772938 /nfs/dbraw/zinc/77/29/38/411772938.db2.gz BUHXAWVIUHHLQJ-UHFFFAOYSA-N 0 0 245.322 3.823 20 0 BHADRN CCCc1nc(C)c(COc2ccccc2C)o1 ZINC000663914537 411772837 /nfs/dbraw/zinc/77/28/37/411772837.db2.gz CECGNVHCCVNKKS-UHFFFAOYSA-N 0 0 245.322 3.823 20 0 BHADRN CCc1cc(CCCOc2cccc(C)c2)on1 ZINC000663914773 411774487 /nfs/dbraw/zinc/77/44/87/411774487.db2.gz FJJRXRUAJUZTMK-UHFFFAOYSA-N 0 0 245.322 3.557 20 0 BHADRN Cc1cccc(C)c1OCc1cc(C2CC2)no1 ZINC000663915109 411774537 /nfs/dbraw/zinc/77/45/37/411774537.db2.gz HMGINISTGHQDFY-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN CCCc1nc(C)c(COc2cccc(F)c2)o1 ZINC000663915206 411774837 /nfs/dbraw/zinc/77/48/37/411774837.db2.gz JFZFXFYGHSETIS-UHFFFAOYSA-N 0 0 249.285 3.654 20 0 BHADRN CCCc1nc(C)c(COc2ccccc2)o1 ZINC000663915229 411773281 /nfs/dbraw/zinc/77/32/81/411773281.db2.gz KAQNPLCKRKXNAP-UHFFFAOYSA-N 0 0 231.295 3.515 20 0 BHADRN CCc1cc(CCCOc2ccc(C)cc2)on1 ZINC000663915543 411774702 /nfs/dbraw/zinc/77/47/02/411774702.db2.gz LSTRZMFMNIKDGL-UHFFFAOYSA-N 0 0 245.322 3.557 20 0 BHADRN CC[C@H](COc1ccccc1)CC(F)F ZINC000663915614 411774660 /nfs/dbraw/zinc/77/46/60/411774660.db2.gz MZLHVMVXSMSPQV-JTQLQIEISA-N 0 0 214.255 3.747 20 0 BHADRN CC[C@@H](COc1ccccc1)CC(F)F ZINC000663915615 411773926 /nfs/dbraw/zinc/77/39/26/411773926.db2.gz MZLHVMVXSMSPQV-SNVBAGLBSA-N 0 0 214.255 3.747 20 0 BHADRN C1=CCC(COc2cccc3cccnc32)C1 ZINC000663915771 410372788 /nfs/dbraw/zinc/37/27/88/410372788.db2.gz LTNOGXQWYHDWPN-UHFFFAOYSA-N 0 0 225.291 3.580 20 0 BHADRN CC[C@H](COc1ccc(OC)cc1)CC(F)F ZINC000663915930 411774616 /nfs/dbraw/zinc/77/46/16/411774616.db2.gz QMJXNEIUIYVPCN-JTQLQIEISA-N 0 0 244.281 3.755 20 0 BHADRN CC[C@@H](COc1ccc(OC)cc1)CC(F)F ZINC000663915931 411773824 /nfs/dbraw/zinc/77/38/24/411773824.db2.gz QMJXNEIUIYVPCN-SNVBAGLBSA-N 0 0 244.281 3.755 20 0 BHADRN CCCc1nc(C)c(COc2ccc(C)cc2)o1 ZINC000663915971 411774843 /nfs/dbraw/zinc/77/48/43/411774843.db2.gz RQORJUVRIIUCSV-UHFFFAOYSA-N 0 0 245.322 3.823 20 0 BHADRN CCc1cc(CCCOc2ccccc2C)on1 ZINC000663916233 411774324 /nfs/dbraw/zinc/77/43/24/411774324.db2.gz UNNXZIHQEUKCCJ-UHFFFAOYSA-N 0 0 245.322 3.557 20 0 BHADRN Cc1nocc1COc1ccc(C(C)C)c(C)c1 ZINC000663916278 411773900 /nfs/dbraw/zinc/77/39/00/411773900.db2.gz VTKIKYSVYUJJFC-UHFFFAOYSA-N 0 0 245.322 3.994 20 0 BHADRN Cc1nocc1COc1ccc(Cl)cc1C ZINC000663917405 411776285 /nfs/dbraw/zinc/77/62/85/411776285.db2.gz GNTNHGCZNLBAQF-UHFFFAOYSA-N 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/nfs/dbraw/zinc/77/75/20/411777520.db2.gz XRJBQSWLDHMWPK-UHFFFAOYSA-N 0 0 245.322 3.687 20 0 BHADRN CC(C)=CCCOc1ccc(CCC(C)=O)cc1 ZINC000663923632 411777699 /nfs/dbraw/zinc/77/76/99/411777699.db2.gz DNSJUQGLPULJJN-UHFFFAOYSA-N 0 0 246.350 3.943 20 0 BHADRN CC(=O)CCc1ccc(OCC2CC=CC2)cc1 ZINC000663923795 411777598 /nfs/dbraw/zinc/77/75/98/411777598.db2.gz FSCPMERYTRXTLQ-UHFFFAOYSA-N 0 0 244.334 3.553 20 0 BHADRN Cc1nocc1COc1cccc(C(C)(C)C)c1 ZINC000663925948 411779080 /nfs/dbraw/zinc/77/90/80/411779080.db2.gz CVRVXWJACKIZCP-UHFFFAOYSA-N 0 0 245.322 3.860 20 0 BHADRN Cc1cccc(OCc2cc(C3CC3)no2)c1C ZINC000663926907 411779192 /nfs/dbraw/zinc/77/91/92/411779192.db2.gz ORMJSXONDJYFGE-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN CC(C)=CCCOc1cccc(C(C)=O)c1 ZINC000663928980 411778680 /nfs/dbraw/zinc/77/86/80/411778680.db2.gz QFMMXRPENUNHIT-UHFFFAOYSA-N 0 0 218.296 3.624 20 0 BHADRN Cc1nocc1COc1ccccc1C(C)C ZINC000663929497 411778957 /nfs/dbraw/zinc/77/89/57/411778957.db2.gz ZKTOMWREOULUIC-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/78/16/08/411781608.db2.gz UCWHPCHRBVRZHL-UHFFFAOYSA-N 0 0 233.336 3.846 20 0 BHADRN Cc1nocc1COc1cccc(C(C)C)c1 ZINC000663935462 411781534 /nfs/dbraw/zinc/78/15/34/411781534.db2.gz YFBKQIHFHUFFNR-UHFFFAOYSA-N 0 0 231.295 3.685 20 0 BHADRN O=c1c2ccccc2ccn1CCCC1CCC1 ZINC000663937601 410390840 /nfs/dbraw/zinc/39/08/40/410390840.db2.gz LSXIXEKNFLLGBT-UHFFFAOYSA-N 0 0 241.334 3.582 20 0 BHADRN CC(=O)c1ccnc(NCCC(C)(C)C2CC2)c1 ZINC000663943861 411784977 /nfs/dbraw/zinc/78/49/77/411784977.db2.gz URXPCSJUBVSTPE-UHFFFAOYSA-N 0 0 246.354 3.522 20 0 BHADRN CC(C)=CCCOc1ccc(CC[C@H](C)O)cc1 ZINC000663950350 411788359 /nfs/dbraw/zinc/78/83/59/411788359.db2.gz COFYYQBPXCNIRF-AWEZNQCLSA-N 0 0 248.366 3.735 20 0 BHADRN CC(C)=CCCOc1ccc(CC[C@@H](C)O)cc1 ZINC000663950358 411788662 /nfs/dbraw/zinc/78/86/62/411788662.db2.gz COFYYQBPXCNIRF-CQSZACIVSA-N 0 0 248.366 3.735 20 0 BHADRN C1=CCC(COc2cccc3ncccc32)C1 ZINC000663950527 411788496 /nfs/dbraw/zinc/78/84/96/411788496.db2.gz JOFADBKLBKYRAO-UHFFFAOYSA-N 0 0 225.291 3.580 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1cc(C(C)=O)ccn1 ZINC000663956620 410404133 /nfs/dbraw/zinc/40/41/33/410404133.db2.gz PKJYMFKOVOHFJD-GFCCVEGCSA-N 0 0 246.354 3.831 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1cc(C(C)=O)ccn1 ZINC000663956621 410404171 /nfs/dbraw/zinc/40/41/71/410404171.db2.gz PKJYMFKOVOHFJD-LBPRGKRZSA-N 0 0 246.354 3.831 20 0 BHADRN c1cc(-c2cccnc2)n(CCCC2CCC2)n1 ZINC000663961860 411793156 /nfs/dbraw/zinc/79/31/56/411793156.db2.gz DGOZGKRAFLABCR-UHFFFAOYSA-N 0 0 241.338 3.525 20 0 BHADRN Cc1ccc(SCC2(C)CCCCC2)nn1 ZINC000663962570 411792847 /nfs/dbraw/zinc/79/28/47/411792847.db2.gz HPUFVCPCPAPRGP-UHFFFAOYSA-N 0 0 236.384 3.848 20 0 BHADRN CCC(C)(C)CCn1nccc1-c1cccnc1 ZINC000663964174 411793144 /nfs/dbraw/zinc/79/31/44/411793144.db2.gz SPPFBWZOBKHKAK-UHFFFAOYSA-N 0 0 243.354 3.771 20 0 BHADRN C1=CCC(COc2ccc3ncccc3c2)C1 ZINC000663964924 411792901 /nfs/dbraw/zinc/79/29/01/411792901.db2.gz WCUOOWYJPZKFLH-UHFFFAOYSA-N 0 0 225.291 3.580 20 0 BHADRN CC(=O)c1ccnc(NCC(C)(C)C2CCC2)c1 ZINC000663965616 410407239 /nfs/dbraw/zinc/40/72/39/410407239.db2.gz IETHXWAUWUXFKP-UHFFFAOYSA-N 0 0 246.354 3.522 20 0 BHADRN c1cc(-c2ccncc2)n(CCCC2CCC2)n1 ZINC000663969847 411795747 /nfs/dbraw/zinc/79/57/47/411795747.db2.gz XCGXXEOKBLKHDZ-UHFFFAOYSA-N 0 0 241.338 3.525 20 0 BHADRN CCC(C)(C)CCn1nccc1-c1ccncc1 ZINC000663970033 411795455 /nfs/dbraw/zinc/79/54/55/411795455.db2.gz YZENBVNDKJLHCF-UHFFFAOYSA-N 0 0 243.354 3.771 20 0 BHADRN c1csc(-c2ccn(CC3CC=CC3)n2)c1 ZINC000663970182 411795291 /nfs/dbraw/zinc/79/52/91/411795291.db2.gz LWCYXIXUOSDIEB-UHFFFAOYSA-N 0 0 230.336 3.578 20 0 BHADRN FC(F)Oc1ccccc1OCC1CC=CC1 ZINC000663970654 411795053 /nfs/dbraw/zinc/79/50/53/411795053.db2.gz HGAWCKOJVNSKNX-UHFFFAOYSA-N 0 0 240.249 3.633 20 0 BHADRN CC(=O)Nc1ccc(C)cc1OCC1(C)CCC1 ZINC000663972118 411796887 /nfs/dbraw/zinc/79/68/87/411796887.db2.gz GGDXMGSJKVYTJS-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN COCc1cccc(OCCC=C(C)C)c1 ZINC000663973068 411796969 /nfs/dbraw/zinc/79/69/69/411796969.db2.gz IZMPNNDURFHCFP-UHFFFAOYSA-N 0 0 220.312 3.568 20 0 BHADRN c1cn(CC2CC=CC2)nc1-c1ccccc1 ZINC000663974364 411798086 /nfs/dbraw/zinc/79/80/86/411798086.db2.gz ILRFUXPPRAAJCU-UHFFFAOYSA-N 0 0 224.307 3.516 20 0 BHADRN Cc1cc(C)n(CC[C@@H]2CCc3ccccc32)n1 ZINC000663975893 411797692 /nfs/dbraw/zinc/79/76/92/411797692.db2.gz VYTDFFARDYLAPD-HNNXBMFYSA-N 0 0 240.350 3.620 20 0 BHADRN Cc1cc(C)n(CC[C@H]2CCc3ccccc32)n1 ZINC000663975896 411797530 /nfs/dbraw/zinc/79/75/30/411797530.db2.gz VYTDFFARDYLAPD-OAHLLOKOSA-N 0 0 240.350 3.620 20 0 BHADRN CCC(C)(C)CCn1ccc(=O)c2ccccc21 ZINC000663976381 411797470 /nfs/dbraw/zinc/79/74/70/411797470.db2.gz ZMAWZMJRFJQSEZ-UHFFFAOYSA-N 0 0 243.350 3.828 20 0 BHADRN O=c1ccn(CCCC2CCC2)c2ccccc12 ZINC000663976739 411798237 /nfs/dbraw/zinc/79/82/37/411798237.db2.gz UGXXODXXTAWLLA-UHFFFAOYSA-N 0 0 241.334 3.582 20 0 BHADRN Cc1nocc1COc1c(C)cccc1Cl ZINC000663977781 411798526 /nfs/dbraw/zinc/79/85/26/411798526.db2.gz BONYZKOURJUYAH-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN CC(C)Oc1ccc(OCc2cncs2)cc1 ZINC000663977849 411798328 /nfs/dbraw/zinc/79/83/28/411798328.db2.gz BZOMQTAJUFMFIA-UHFFFAOYSA-N 0 0 249.335 3.509 20 0 BHADRN CC[C@H](Nc1cc(C(C)=O)ccn1)C1CCCC1 ZINC000663978915 410416188 /nfs/dbraw/zinc/41/61/88/410416188.db2.gz GNIQXTQBHRRUCM-AWEZNQCLSA-N 0 0 246.354 3.665 20 0 BHADRN CC[C@@H](Nc1cc(C(C)=O)ccn1)C1CCCC1 ZINC000663978923 410416370 /nfs/dbraw/zinc/41/63/70/410416370.db2.gz GNIQXTQBHRRUCM-CQSZACIVSA-N 0 0 246.354 3.665 20 0 BHADRN Cc1ccc(O[C@@H]2COC(C)(C)C2)c(Cl)c1 ZINC000663981902 411799594 /nfs/dbraw/zinc/79/95/94/411799594.db2.gz IKFZINBXVLJJRF-JTQLQIEISA-N 0 0 240.730 3.595 20 0 BHADRN Cc1ccc(O[C@H]2COC(C)(C)C2)c(Cl)c1 ZINC000663981903 411800017 /nfs/dbraw/zinc/80/00/17/411800017.db2.gz IKFZINBXVLJJRF-SNVBAGLBSA-N 0 0 240.730 3.595 20 0 BHADRN Cc1nocc1COc1ccc(C)cc1Cl ZINC000663981959 411799573 /nfs/dbraw/zinc/79/95/73/411799573.db2.gz KDJZQVITBGFZJF-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN O=C1CCCc2c(OCC3CC=CC3)cccc21 ZINC000663982920 411801261 /nfs/dbraw/zinc/80/12/61/411801261.db2.gz QYTWORNYYGORHQ-UHFFFAOYSA-N 0 0 242.318 3.551 20 0 BHADRN CCCc1ccc(OCc2conc2C)cc1 ZINC000663984260 411801019 /nfs/dbraw/zinc/80/10/19/411801019.db2.gz FPKFWOBVJPSMHV-UHFFFAOYSA-N 0 0 231.295 3.515 20 0 BHADRN c1ncc(COc2cccc3c2CCCC3)s1 ZINC000663984901 411802798 /nfs/dbraw/zinc/80/27/98/411802798.db2.gz DSIPESBOKHCMFU-UHFFFAOYSA-N 0 0 245.347 3.601 20 0 BHADRN Cc1nocc1COc1cc(Cl)ccc1C ZINC000663985729 411802050 /nfs/dbraw/zinc/80/20/50/411802050.db2.gz YTKPMXJDWPVXLO-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN CCCc1ccc(OCc2cncs2)cc1 ZINC000663985806 411801878 /nfs/dbraw/zinc/80/18/78/411801878.db2.gz VWXIVSRHVNZLSD-UHFFFAOYSA-N 0 0 233.336 3.675 20 0 BHADRN CC(C)C(=O)Nc1ccc(O[C@H](C)C(C)C)cc1 ZINC000663987906 411803542 /nfs/dbraw/zinc/80/35/42/411803542.db2.gz ZVWRQLWJKJLROI-GFCCVEGCSA-N 0 0 249.354 3.704 20 0 BHADRN CC(C)C(=O)Nc1ccc(O[C@@H](C)C(C)C)cc1 ZINC000663987907 411803610 /nfs/dbraw/zinc/80/36/10/411803610.db2.gz ZVWRQLWJKJLROI-LBPRGKRZSA-N 0 0 249.354 3.704 20 0 BHADRN CCC(CC)COc1ccccc1-c1nnco1 ZINC000663988093 410421200 /nfs/dbraw/zinc/42/12/00/410421200.db2.gz ANVWLQOYYSWMQK-UHFFFAOYSA-N 0 0 246.310 3.552 20 0 BHADRN CCc1nc(C)c(COc2ccc(F)c(C)c2)o1 ZINC000663990737 411803552 /nfs/dbraw/zinc/80/35/52/411803552.db2.gz JXNUOFHGCDPJFA-UHFFFAOYSA-N 0 0 249.285 3.572 20 0 BHADRN Cc1cc(OCc2cc(C3CC3)no2)ccc1F ZINC000663992489 411805417 /nfs/dbraw/zinc/80/54/17/411805417.db2.gz ZAAHBAALFIJMAE-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN CC(=O)c1ccnc(N[C@@H](C)CC(C)(C)C)c1 ZINC000663992818 411805574 /nfs/dbraw/zinc/80/55/74/411805574.db2.gz DVMSBLPEQFYWPA-JTQLQIEISA-N 0 0 234.343 3.521 20 0 BHADRN CC(=O)c1ccnc(N[C@H](C)CC(C)(C)C)c1 ZINC000663992819 411805961 /nfs/dbraw/zinc/80/59/61/411805961.db2.gz DVMSBLPEQFYWPA-SNVBAGLBSA-N 0 0 234.343 3.521 20 0 BHADRN CCC(C)(C)CCn1nc(C2CCC2)nc1C ZINC000663993402 411805682 /nfs/dbraw/zinc/80/56/82/411805682.db2.gz AKTDNMIBHDSGEF-UHFFFAOYSA-N 0 0 235.375 3.680 20 0 BHADRN Cc1nc(C2CCC2)nn1C[C@H]1CCCC[C@H]1C ZINC000663993528 411805562 /nfs/dbraw/zinc/80/55/62/411805562.db2.gz CCLWOJNHBPGCFI-BXUZGUMPSA-N 0 0 247.386 3.680 20 0 BHADRN Cc1nc(C2CCC2)nn1C[C@@H]1CCCC[C@@H]1C ZINC000663993530 411805619 /nfs/dbraw/zinc/80/56/19/411805619.db2.gz CCLWOJNHBPGCFI-FZMZJTMJSA-N 0 0 247.386 3.680 20 0 BHADRN Cc1nc(C2CCC2)nn1C[C@@H]1CCCC[C@H]1C ZINC000663993532 410421378 /nfs/dbraw/zinc/42/13/78/410421378.db2.gz CCLWOJNHBPGCFI-RISCZKNCSA-N 0 0 247.386 3.680 20 0 BHADRN Cc1nc(C2CCC2)nn1C[C@H]1CCCC[C@@H]1C ZINC000663993534 410420991 /nfs/dbraw/zinc/42/09/91/410420991.db2.gz CCLWOJNHBPGCFI-SMDDNHRTSA-N 0 0 247.386 3.680 20 0 BHADRN C(CC1CCC1)Cn1nc(C2CC2)nc1C1CC1 ZINC000663994236 411805984 /nfs/dbraw/zinc/80/59/84/411805984.db2.gz JHSADAXGWIXLFS-UHFFFAOYSA-N 0 0 245.370 3.613 20 0 BHADRN CCC(C)(C)CCn1nc(C2CC2)nc1C1CC1 ZINC000663994785 411805349 /nfs/dbraw/zinc/80/53/49/411805349.db2.gz PGOUKSLUFPOMLY-UHFFFAOYSA-N 0 0 247.386 3.859 20 0 BHADRN CC(C)Oc1cccc(OCc2cncs2)c1 ZINC000663996616 411806916 /nfs/dbraw/zinc/80/69/16/411806916.db2.gz JTIBVYIEZYRGOW-UHFFFAOYSA-N 0 0 249.335 3.509 20 0 BHADRN c1ncc(COc2ccc3c(c2)CCCC3)s1 ZINC000663996675 411807033 /nfs/dbraw/zinc/80/70/33/411807033.db2.gz LIOAMRGRQAQZRT-UHFFFAOYSA-N 0 0 245.347 3.601 20 0 BHADRN CCc1nc(C)c(COc2ccc(F)cc2C)o1 ZINC000663997171 411806596 /nfs/dbraw/zinc/80/65/96/411806596.db2.gz SFFKNOHDJKUWBK-UHFFFAOYSA-N 0 0 249.285 3.572 20 0 BHADRN CC[C@H](CC(F)F)Cn1ncc(Cl)c1C ZINC000663997182 411806517 /nfs/dbraw/zinc/80/65/17/411806517.db2.gz SHPJULKYLABGEK-MRVPVSSYSA-N 0 0 236.693 3.526 20 0 BHADRN CC[C@@H](CC(F)F)Cn1ncc(Cl)c1C ZINC000663997183 411806931 /nfs/dbraw/zinc/80/69/31/411806931.db2.gz SHPJULKYLABGEK-QMMMGPOBSA-N 0 0 236.693 3.526 20 0 BHADRN Cc1cc(F)ccc1OCc1cc(C2CC2)no1 ZINC000663997250 411806453 /nfs/dbraw/zinc/80/64/53/411806453.db2.gz WAPLMKXWJNGSJK-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN CCSc1ccccc1OCc1conc1C ZINC000663997548 411807216 /nfs/dbraw/zinc/80/72/16/411807216.db2.gz XMTDOZPVQBJNDJ-UHFFFAOYSA-N 0 0 249.335 3.674 20 0 BHADRN c1cc2cc(OC[C@@H]3C[C@H]4C[C@H]4C3)ccc2[nH]1 ZINC000663999299 488149380 /nfs/dbraw/zinc/14/93/80/488149380.db2.gz KKNZPSKMKQJLRX-LMKPVCQUSA-N 0 0 227.307 3.593 20 0 BHADRN c1cc2cc(OCC3CC=CC3)ccc2[nH]1 ZINC000664000647 411809387 /nfs/dbraw/zinc/80/93/87/411809387.db2.gz XIAVYMTZTJSTSH-UHFFFAOYSA-N 0 0 213.280 3.513 20 0 BHADRN COc1ccc(OCCC=C(C)C)cc1C(C)=O ZINC000664005123 411810555 /nfs/dbraw/zinc/81/05/55/411810555.db2.gz LZIUWWMVYFDFPK-UHFFFAOYSA-N 0 0 248.322 3.633 20 0 BHADRN CC(=O)c1sccc1OCC1(C)CCC1 ZINC000664009321 411811844 /nfs/dbraw/zinc/81/18/44/411811844.db2.gz FOXGNVPLVRMTEL-UHFFFAOYSA-N 0 0 224.325 3.520 20 0 BHADRN Cc1nocc1COc1ccc(C2CCC2)cc1 ZINC000664009515 411811831 /nfs/dbraw/zinc/81/18/31/411811831.db2.gz JLYIJUGAWCNDGR-UHFFFAOYSA-N 0 0 243.306 3.830 20 0 BHADRN c1ncc(COc2ccc(C3CCC3)cc2)s1 ZINC000664009859 411811407 /nfs/dbraw/zinc/81/14/07/411811407.db2.gz PCXVENQSRZGQBR-UHFFFAOYSA-N 0 0 245.347 3.990 20 0 BHADRN OC1(CCOc2ccc(C3CCC3)cc2)CCC1 ZINC000664009873 490090819 /nfs/dbraw/zinc/09/08/19/490090819.db2.gz PTQFRWYTBSGNRY-UHFFFAOYSA-N 0 0 246.350 3.638 20 0 BHADRN Cc1nc2c(cccc2OC[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000664014655 411814273 /nfs/dbraw/zinc/81/42/73/411814273.db2.gz GUDXDNWULPMTJN-ZSBIGDGJSA-N 0 0 243.306 3.561 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CO[C@H]1CCCc2c[nH]nc21 ZINC000664016100 410431047 /nfs/dbraw/zinc/43/10/47/410431047.db2.gz LLMQIOCJZPYWDD-BNOWGMLFSA-N 0 0 248.370 3.630 20 0 BHADRN C[C@@H]1CCCC[C@H]1CO[C@@H]1CCCc2c[nH]nc21 ZINC000664016101 410430919 /nfs/dbraw/zinc/43/09/19/410430919.db2.gz LLMQIOCJZPYWDD-KWCYVHTRSA-N 0 0 248.370 3.630 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CO[C@@H]1CCCc2c[nH]nc21 ZINC000664016102 410430639 /nfs/dbraw/zinc/43/06/39/410430639.db2.gz LLMQIOCJZPYWDD-MRVWCRGKSA-N 0 0 248.370 3.630 20 0 BHADRN C[C@@H]1CCCC[C@H]1CO[C@H]1CCCc2c[nH]nc21 ZINC000664016103 410431070 /nfs/dbraw/zinc/43/10/70/410431070.db2.gz LLMQIOCJZPYWDD-XBFCOCLRSA-N 0 0 248.370 3.630 20 0 BHADRN CCC(C)(C)CCO[C@@H]1CCCc2c[nH]nc21 ZINC000664016136 411814474 /nfs/dbraw/zinc/81/44/74/411814474.db2.gz MSIHNMXTNMTZMD-GFCCVEGCSA-N 0 0 236.359 3.630 20 0 BHADRN CCC(C)(C)CCO[C@H]1CCCc2c[nH]nc21 ZINC000664016137 411813775 /nfs/dbraw/zinc/81/37/75/411813775.db2.gz MSIHNMXTNMTZMD-LBPRGKRZSA-N 0 0 236.359 3.630 20 0 BHADRN Cc1nocc1COc1ccccc1C(C)(C)C ZINC000664016946 411815722 /nfs/dbraw/zinc/81/57/22/411815722.db2.gz UZNCZDOMATYELG-UHFFFAOYSA-N 0 0 245.322 3.860 20 0 BHADRN CCc1nc(C)c(COc2cc(F)ccc2C)o1 ZINC000664017588 411815464 /nfs/dbraw/zinc/81/54/64/411815464.db2.gz ABINTNZROMVNCF-UHFFFAOYSA-N 0 0 249.285 3.572 20 0 BHADRN Cc1ccc(F)cc1OCc1cc(C2CC2)no1 ZINC000664017834 411815620 /nfs/dbraw/zinc/81/56/20/411815620.db2.gz FXQFHPLEOUBAEN-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN C1=CCC(COc2ccc([C@H]3CCOC3)cc2)C1 ZINC000664019240 411815793 /nfs/dbraw/zinc/81/57/93/411815793.db2.gz JFJYKGJSAKQDTC-HNNXBMFYSA-N 0 0 244.334 3.536 20 0 BHADRN C1=CCC(COc2ccc([C@@H]3CCOC3)cc2)C1 ZINC000664019241 411815345 /nfs/dbraw/zinc/81/53/45/411815345.db2.gz JFJYKGJSAKQDTC-OAHLLOKOSA-N 0 0 244.334 3.536 20 0 BHADRN CCC(C)(C)CCn1ccc2ccsc2c1=O ZINC000664022736 411816962 /nfs/dbraw/zinc/81/69/62/411816962.db2.gz IGNJYBOTABKGKA-UHFFFAOYSA-N 0 0 249.379 3.889 20 0 BHADRN CC(C)=CCCOc1cc2cnccc2nc1C ZINC000664022913 411817173 /nfs/dbraw/zinc/81/71/73/411817173.db2.gz XOBNPQOKHJCZKX-UHFFFAOYSA-N 0 0 242.322 3.673 20 0 BHADRN Cc1nc2ccncc2cc1OCC1(C)CCC1 ZINC000664022955 411816460 /nfs/dbraw/zinc/81/64/60/411816460.db2.gz ZEJGVFAKBVZQNN-UHFFFAOYSA-N 0 0 242.322 3.507 20 0 BHADRN Cc1cccc(O[C@@H]2COC(C)(C)C2)c1Cl ZINC000664023026 411816727 /nfs/dbraw/zinc/81/67/27/411816727.db2.gz KIPSLRORJAGWMF-JTQLQIEISA-N 0 0 240.730 3.595 20 0 BHADRN Cc1cccc(O[C@H]2COC(C)(C)C2)c1Cl ZINC000664023027 411816419 /nfs/dbraw/zinc/81/64/19/411816419.db2.gz KIPSLRORJAGWMF-SNVBAGLBSA-N 0 0 240.730 3.595 20 0 BHADRN O=c1c2sccc2ccn1CCCC1CCC1 ZINC000664023142 411816591 /nfs/dbraw/zinc/81/65/91/411816591.db2.gz LRPZRQLKGSKFRR-UHFFFAOYSA-N 0 0 247.363 3.643 20 0 BHADRN Cc1nocc1COc1cccc(C)c1Cl ZINC000664023542 411817504 /nfs/dbraw/zinc/81/75/04/411817504.db2.gz RXWKPQNOLIJXPX-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN COCCc1cccc(OCCC=C(C)C)c1 ZINC000664024041 410434689 /nfs/dbraw/zinc/43/46/89/410434689.db2.gz FOSMUHKSAGGWTF-UHFFFAOYSA-N 0 0 234.339 3.611 20 0 BHADRN Cc1ccc(OCc2cc(C3CC3)no2)cc1F ZINC000664024503 411817955 /nfs/dbraw/zinc/81/79/55/411817955.db2.gz DZNYAZFNMVALDL-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN O=C1CCCc2ccc(OCC3CC=CC3)cc21 ZINC000664029225 411819037 /nfs/dbraw/zinc/81/90/37/411819037.db2.gz LKURAEYYTFZMGC-UHFFFAOYSA-N 0 0 242.318 3.551 20 0 BHADRN CC(C)=CCCn1ccc(C(C)(C)C)cc1=O ZINC000664031928 411820429 /nfs/dbraw/zinc/82/04/29/411820429.db2.gz FSISZZRAFIPMRM-UHFFFAOYSA-N 0 0 233.355 3.502 20 0 BHADRN c1cn(CCCC2CCC2)nc1-c1ccccn1 ZINC000664034801 411821536 /nfs/dbraw/zinc/82/15/36/411821536.db2.gz JJYCPNIQJOZTQF-UHFFFAOYSA-N 0 0 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CCCCC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822733 412027002 /nfs/dbraw/zinc/02/70/02/412027002.db2.gz JPBZWYOEPBBXQR-CQSZACIVSA-N 0 0 232.371 3.655 20 0 BHADRN CCC[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823425 412026522 /nfs/dbraw/zinc/02/65/22/412026522.db2.gz NEABBVQOQIKHPF-GXTWGEPZSA-N 0 0 232.371 3.653 20 0 BHADRN CCC[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823428 412026920 /nfs/dbraw/zinc/02/69/20/412026920.db2.gz NEABBVQOQIKHPF-JSGCOSHPSA-N 0 0 232.371 3.653 20 0 BHADRN CCC[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823432 412027133 /nfs/dbraw/zinc/02/71/33/412027133.db2.gz NEABBVQOQIKHPF-OCCSQVGLSA-N 0 0 232.371 3.653 20 0 BHADRN CCC[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823435 412027179 /nfs/dbraw/zinc/02/71/79/412027179.db2.gz NEABBVQOQIKHPF-TZMCWYRMSA-N 0 0 232.371 3.653 20 0 BHADRN CC/C=C\CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824586 412026440 /nfs/dbraw/zinc/02/64/40/412026440.db2.gz WOZPMLYDIYBFDK-IYKSTZQJSA-N 0 0 244.382 3.821 20 0 BHADRN CC/C=C/CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824587 412027152 /nfs/dbraw/zinc/02/71/52/412027152.db2.gz WOZPMLYDIYBFDK-LLYBFZRZSA-N 0 0 244.382 3.821 20 0 BHADRN CC/C=C/CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824588 412026208 /nfs/dbraw/zinc/02/62/08/412026208.db2.gz WOZPMLYDIYBFDK-NFAHFFEMSA-N 0 0 244.382 3.821 20 0 BHADRN CC/C=C\CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824589 412026221 /nfs/dbraw/zinc/02/62/21/412026221.db2.gz WOZPMLYDIYBFDK-YVACAVLKSA-N 0 0 244.382 3.821 20 0 BHADRN CC1(C)C[N@@H+]([C@@H]2C=CCCC2)[C@H]1c1ccncc1 ZINC000664832110 412028974 /nfs/dbraw/zinc/02/89/74/412028974.db2.gz CJVSKKMTGINQPB-CABCVRRESA-N 0 0 242.366 3.573 20 0 BHADRN CC1(C)C[N@@H+]([C@H]2C=CCCC2)[C@H]1c1ccncc1 ZINC000664832112 412028605 /nfs/dbraw/zinc/02/86/05/412028605.db2.gz CJVSKKMTGINQPB-GJZGRUSLSA-N 0 0 242.366 3.573 20 0 BHADRN CC1(C)C[N@@H+]([C@@H]2C=CCCC2)[C@@H]1c1ccncc1 ZINC000664832114 412029413 /nfs/dbraw/zinc/02/94/13/412029413.db2.gz CJVSKKMTGINQPB-HUUCEWRRSA-N 0 0 242.366 3.573 20 0 BHADRN CC1(C)C[N@@H+]([C@H]2C=CCCC2)[C@@H]1c1ccncc1 ZINC000664832115 412028542 /nfs/dbraw/zinc/02/85/42/412028542.db2.gz CJVSKKMTGINQPB-LSDHHAIUSA-N 0 0 242.366 3.573 20 0 BHADRN Cc1ccc(-c2noc([C@H]3CCC3(C)C)n2)o1 ZINC000664845546 412030540 /nfs/dbraw/zinc/03/05/40/412030540.db2.gz BLHRIYGTTGLZIU-SECBINFHSA-N 0 0 232.283 3.542 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3CCC3(C)C)n2)o1 ZINC000664845548 412031193 /nfs/dbraw/zinc/03/11/93/412031193.db2.gz BLHRIYGTTGLZIU-VIFPVBQESA-N 0 0 232.283 3.542 20 0 BHADRN c1cc(-c2noc(C3CCC4(CC4)CC3)n2)co1 ZINC000664847463 412031168 /nfs/dbraw/zinc/03/11/68/412031168.db2.gz MLHOGBKJJDLPFF-UHFFFAOYSA-N 0 0 244.294 3.767 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)o1 ZINC000664847570 412030646 /nfs/dbraw/zinc/03/06/46/412030646.db2.gz NHNDGTLSPOHCCH-HBNTYKKESA-N 0 0 244.294 3.542 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)o1 ZINC000664847573 412031372 /nfs/dbraw/zinc/03/13/72/412031372.db2.gz NHNDGTLSPOHCCH-MXWKQRLJSA-N 0 0 244.294 3.542 20 0 BHADRN c1cc(-c2noc([C@H]3CCCC4(CC4)C3)n2)co1 ZINC000664847856 412030531 /nfs/dbraw/zinc/03/05/31/412030531.db2.gz NGDOTEIYCZFHJX-JTQLQIEISA-N 0 0 244.294 3.767 20 0 BHADRN c1cc(-c2noc([C@@H]3CCCC4(CC4)C3)n2)co1 ZINC000664847858 412030549 /nfs/dbraw/zinc/03/05/49/412030549.db2.gz NGDOTEIYCZFHJX-SNVBAGLBSA-N 0 0 244.294 3.767 20 0 BHADRN CC1=CC[C@](C)(c2nc(-c3ccoc3)no2)CC1 ZINC000664847916 412030962 /nfs/dbraw/zinc/03/09/62/412030962.db2.gz NWWHCFGKYMUTFL-AWEZNQCLSA-N 0 0 244.294 3.718 20 0 BHADRN CC1=CC[C@@](C)(c2nc(-c3ccoc3)no2)CC1 ZINC000664847918 412031396 /nfs/dbraw/zinc/03/13/96/412031396.db2.gz NWWHCFGKYMUTFL-CQSZACIVSA-N 0 0 244.294 3.718 20 0 BHADRN CCCC[C@@](C)(F)c1nc(-c2ccoc2)no1 ZINC000664848680 412031334 /nfs/dbraw/zinc/03/13/34/412031334.db2.gz WCHOSRRNIHKNEM-GFCCVEGCSA-N 0 0 238.262 3.705 20 0 BHADRN CCCC[C@](C)(F)c1nc(-c2ccoc2)no1 ZINC000664848682 412030625 /nfs/dbraw/zinc/03/06/25/412030625.db2.gz WCHOSRRNIHKNEM-LBPRGKRZSA-N 0 0 238.262 3.705 20 0 BHADRN CCC/C=C/c1nc(-c2ccc(O)c(C)c2)no1 ZINC000664851147 412032284 /nfs/dbraw/zinc/03/22/84/412032284.db2.gz QOECSXMPRYXBAM-AATRIKPKSA-N 0 0 244.294 3.564 20 0 BHADRN CCC/C=C\c1nc(-c2ccc(O)c(C)c2)no1 ZINC000664851148 412032720 /nfs/dbraw/zinc/03/27/20/412032720.db2.gz QOECSXMPRYXBAM-WAYWQWQTSA-N 0 0 244.294 3.564 20 0 BHADRN Cc1cscc1-c1noc([C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000664855739 412032054 /nfs/dbraw/zinc/03/20/54/412032054.db2.gz CCDHLQTZSCZAJF-MYJAWHEDSA-N 0 0 246.335 3.620 20 0 BHADRN Cc1cscc1-c1noc(C2CC3(CC3)C2)n1 ZINC000664855922 412033032 /nfs/dbraw/zinc/03/30/32/412033032.db2.gz FGKPXQMZFBWGIV-UHFFFAOYSA-N 0 0 246.335 3.764 20 0 BHADRN CCC/C=C/c1nc(-c2cscc2C)no1 ZINC000664855949 412032356 /nfs/dbraw/zinc/03/23/56/412032356.db2.gz FSENTWGOYJILNB-AATRIKPKSA-N 0 0 234.324 3.920 20 0 BHADRN CCC/C=C\c1nc(-c2cscc2C)no1 ZINC000664855953 412031977 /nfs/dbraw/zinc/03/19/77/412031977.db2.gz FSENTWGOYJILNB-WAYWQWQTSA-N 0 0 234.324 3.920 20 0 BHADRN Cc1cc(-c2noc(C3CC4(CC4)C3)n2)c(C)o1 ZINC000664858158 412032647 /nfs/dbraw/zinc/03/26/47/412032647.db2.gz LFZYOQVJBUEWOL-UHFFFAOYSA-N 0 0 244.294 3.604 20 0 BHADRN Cc1cc(-c2noc([C@H]3CCC3(C)C)n2)c(C)o1 ZINC000664858661 412032020 /nfs/dbraw/zinc/03/20/20/412032020.db2.gz NOYSYSUHHCVXCX-LLVKDONJSA-N 0 0 246.310 3.850 20 0 BHADRN Cc1cc(-c2noc([C@@H]3CCC3(C)C)n2)c(C)o1 ZINC000664858662 412032303 /nfs/dbraw/zinc/03/23/03/412032303.db2.gz NOYSYSUHHCVXCX-NSHDSACASA-N 0 0 246.310 3.850 20 0 BHADRN CCC/C=C\c1nc(-c2cc(C)oc2C)no1 ZINC000664859718 412032850 /nfs/dbraw/zinc/03/28/50/412032850.db2.gz ULCAXQHQYALOER-SREVYHEPSA-N 0 0 232.283 3.760 20 0 BHADRN CCC/C=C/c1nc(-c2cc(C)oc2C)no1 ZINC000664859720 412032361 /nfs/dbraw/zinc/03/23/61/412032361.db2.gz ULCAXQHQYALOER-VOTSOKGWSA-N 0 0 232.283 3.760 20 0 BHADRN CCC1(c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)CCCC1 ZINC000664861313 412033775 /nfs/dbraw/zinc/03/37/75/412033775.db2.gz VVOJZMQWQOFKPO-GDNZZTSVSA-N 0 0 246.354 3.805 20 0 BHADRN CCC1(c2noc(C3CC4(CC4)C3)n2)CCCC1 ZINC000664861532 412035194 /nfs/dbraw/zinc/03/51/94/412035194.db2.gz ZFAWONBDFDRQQK-UHFFFAOYSA-N 0 0 246.354 3.949 20 0 BHADRN CCC/C=C\c1nc(-c2cc(CC)ccn2)no1 ZINC000664864117 412033782 /nfs/dbraw/zinc/03/37/82/412033782.db2.gz DESKISHSWFPOCT-SREVYHEPSA-N 0 0 243.310 3.507 20 0 BHADRN CCC/C=C/c1nc(-c2cc(CC)ccn2)no1 ZINC000664864118 412033749 /nfs/dbraw/zinc/03/37/49/412033749.db2.gz DESKISHSWFPOCT-VOTSOKGWSA-N 0 0 243.310 3.507 20 0 BHADRN CCC/C=C/c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000664868606 412035893 /nfs/dbraw/zinc/03/58/93/412035893.db2.gz PDURCWLOMZPGGW-MOVJSRMASA-N 0 0 242.269 3.786 20 0 BHADRN CCC/C=C\c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000664868607 412036547 /nfs/dbraw/zinc/03/65/47/412036547.db2.gz PDURCWLOMZPGGW-WBSSQXGSSA-N 0 0 242.269 3.786 20 0 BHADRN CCC/C=C/c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000664868609 412036281 /nfs/dbraw/zinc/03/62/81/412036281.db2.gz PDURCWLOMZPGGW-XNPJLODASA-N 0 0 242.269 3.786 20 0 BHADRN CCC/C=C\c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000664868611 412037014 /nfs/dbraw/zinc/03/70/14/412037014.db2.gz PDURCWLOMZPGGW-XRVBUDJMSA-N 0 0 242.269 3.786 20 0 BHADRN Cc1ccoc1Cc1nc(CCC(C)(C)C)no1 ZINC000664873822 412035788 /nfs/dbraw/zinc/03/57/88/412035788.db2.gz BXXAXNWRTSMRAY-UHFFFAOYSA-N 0 0 248.326 3.541 20 0 BHADRN CC(C)(C)CCc1noc([C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000664873979 412033078 /nfs/dbraw/zinc/03/30/78/412033078.db2.gz DVGMJZHBSLUYTO-URLYPYJESA-N 0 0 234.343 3.562 20 0 BHADRN CC(C)(C)CCc1noc(C2CC3(CC3)C2)n1 ZINC000664874275 412036820 /nfs/dbraw/zinc/03/68/20/412036820.db2.gz JBAMIOFUPWLTPI-UHFFFAOYSA-N 0 0 234.343 3.706 20 0 BHADRN C/C(=C\c1nc(CC2CCC2)no1)c1ccco1 ZINC000664878123 412037706 /nfs/dbraw/zinc/03/77/06/412037706.db2.gz QBHDTFDJASJCHI-CSKARUKUSA-N 0 0 244.294 3.566 20 0 BHADRN C/C(=C/c1nc(CC2CCC2)no1)c1ccco1 ZINC000664878125 412037387 /nfs/dbraw/zinc/03/73/87/412037387.db2.gz QBHDTFDJASJCHI-NTMALXAHSA-N 0 0 244.294 3.566 20 0 BHADRN Cc1occc1-c1noc([C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000664884276 412037697 /nfs/dbraw/zinc/03/76/97/412037697.db2.gz ASUBEBLLVSSDEI-JLLWLGSASA-N 0 0 244.294 3.542 20 0 BHADRN Cc1occc1-c1noc([C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000664884278 412037745 /nfs/dbraw/zinc/03/77/45/412037745.db2.gz ASUBEBLLVSSDEI-MVWJERBFSA-N 0 0 244.294 3.542 20 0 BHADRN CC1(C)CCC(c2noc(CCCF)n2)CC1 ZINC000664884626 412037780 /nfs/dbraw/zinc/03/77/80/412037780.db2.gz FVAYXECBNDXNDN-UHFFFAOYSA-N 0 0 240.322 3.656 20 0 BHADRN Cc1occc1-c1noc([C@@H]2CCC2(C)C)n1 ZINC000664885314 412037383 /nfs/dbraw/zinc/03/73/83/412037383.db2.gz PNZBDSLDABCLKC-JTQLQIEISA-N 0 0 232.283 3.542 20 0 BHADRN Cc1occc1-c1noc([C@H]2CCC2(C)C)n1 ZINC000664885315 412037444 /nfs/dbraw/zinc/03/74/44/412037444.db2.gz PNZBDSLDABCLKC-SNVBAGLBSA-N 0 0 232.283 3.542 20 0 BHADRN CC1(Cc2noc([C@H]3C[C@H]4C[C@H]4C3)n2)CCCC1 ZINC000664885840 412037348 /nfs/dbraw/zinc/03/73/48/412037348.db2.gz DYDIETYDGVVHBK-GDNZZTSVSA-N 0 0 246.354 3.706 20 0 BHADRN Cc1ccsc1-c1noc(C2CC3(CC3)C2)n1 ZINC000664886394 412038685 /nfs/dbraw/zinc/03/86/85/412038685.db2.gz IWPCNEGAMWKTNC-UHFFFAOYSA-N 0 0 246.335 3.764 20 0 BHADRN CCC/C=C/c1nc(-c2sccc2C)no1 ZINC000664886603 412038833 /nfs/dbraw/zinc/03/88/33/412038833.db2.gz JZVNUEJQKGMOIU-AATRIKPKSA-N 0 0 234.324 3.920 20 0 BHADRN CCC/C=C\c1nc(-c2sccc2C)no1 ZINC000664886604 412038861 /nfs/dbraw/zinc/03/88/61/412038861.db2.gz JZVNUEJQKGMOIU-WAYWQWQTSA-N 0 0 234.324 3.920 20 0 BHADRN CC1(Cc2noc(C3CC4(CC4)C3)n2)CCCC1 ZINC000664886671 412038390 /nfs/dbraw/zinc/03/83/90/412038390.db2.gz KXXYQMPUUHTBCZ-UHFFFAOYSA-N 0 0 246.354 3.850 20 0 BHADRN Cc1ccsc1-c1noc([C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000664886756 412038386 /nfs/dbraw/zinc/03/83/86/412038386.db2.gz MSJGKRHKIFGTLM-MYJAWHEDSA-N 0 0 246.335 3.620 20 0 BHADRN CCC/C=C\c1nc(C(CC)(CC)OC)no1 ZINC000664887344 412038662 /nfs/dbraw/zinc/03/86/62/412038662.db2.gz GUZCPJWQTRZGGQ-KTKRTIGZSA-N 0 0 238.331 3.545 20 0 BHADRN CCC/C=C/c1nc(C(CC)(CC)OC)no1 ZINC000664887345 412038990 /nfs/dbraw/zinc/03/89/90/412038990.db2.gz GUZCPJWQTRZGGQ-MDZDMXLPSA-N 0 0 238.331 3.545 20 0 BHADRN CCC/C=C\c1nc(-c2c(C)nsc2C)no1 ZINC000664889516 412038711 /nfs/dbraw/zinc/03/87/11/412038711.db2.gz NSZZKLHSJUOBFP-SREVYHEPSA-N 0 0 249.339 3.623 20 0 BHADRN CCC/C=C/c1nc(-c2c(C)nsc2C)no1 ZINC000664889517 412038971 /nfs/dbraw/zinc/03/89/71/412038971.db2.gz NSZZKLHSJUOBFP-VOTSOKGWSA-N 0 0 249.339 3.623 20 0 BHADRN C(c1noc([C@@H]2CCC[C@@H]3C[C@@H]32)n1)C1CCCC1 ZINC000664892946 412040433 /nfs/dbraw/zinc/04/04/33/412040433.db2.gz ROUCFQHQXIBYRT-UPJWGTAASA-N 0 0 246.354 3.706 20 0 BHADRN C(c1noc([C@@H]2CCC[C@H]3C[C@H]32)n1)C1CCCC1 ZINC000664892948 412040132 /nfs/dbraw/zinc/04/01/32/412040132.db2.gz ROUCFQHQXIBYRT-YNEHKIRRSA-N 0 0 246.354 3.706 20 0 BHADRN CC[C@@H]1CCCC[C@H]1c1noc(CCCF)n1 ZINC000664893833 412040354 /nfs/dbraw/zinc/04/03/54/412040354.db2.gz JKLWDZDLAGEDOE-GHMZBOCLSA-N 0 0 240.322 3.656 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1c1noc(CCCF)n1 ZINC000664893834 412040331 /nfs/dbraw/zinc/04/03/31/412040331.db2.gz JKLWDZDLAGEDOE-MNOVXSKESA-N 0 0 240.322 3.656 20 0 BHADRN CC[C@H]1CCCC[C@@H]1c1noc(CCCF)n1 ZINC000664893835 412039987 /nfs/dbraw/zinc/03/99/87/412039987.db2.gz JKLWDZDLAGEDOE-QWRGUYRKSA-N 0 0 240.322 3.656 20 0 BHADRN CC[C@H]1CCCC[C@H]1c1noc(CCCF)n1 ZINC000664893836 412040040 /nfs/dbraw/zinc/04/00/40/412040040.db2.gz JKLWDZDLAGEDOE-WDEREUQCSA-N 0 0 240.322 3.656 20 0 BHADRN CC1(c2noc(C3CC4(C3)CCCCC4)n2)CC1 ZINC000664899541 412041383 /nfs/dbraw/zinc/04/13/83/412041383.db2.gz HUTVEBBARPNVLR-UHFFFAOYSA-N 0 0 246.354 3.949 20 0 BHADRN CC1(c2noc([C@H]3CCCC4(CC4)C3)n2)CC1 ZINC000664899740 412041822 /nfs/dbraw/zinc/04/18/22/412041822.db2.gz KPLHPRJQZMZWQA-JTQLQIEISA-N 0 0 232.327 3.559 20 0 BHADRN CC1(c2noc([C@@H]3CCCC4(CC4)C3)n2)CC1 ZINC000664899741 412040970 /nfs/dbraw/zinc/04/09/70/412040970.db2.gz KPLHPRJQZMZWQA-SNVBAGLBSA-N 0 0 232.327 3.559 20 0 BHADRN CC1(c2noc(-c3ccc(C4CC4)cc3)n2)CC1 ZINC000664899790 410648593 /nfs/dbraw/zinc/64/85/93/410648593.db2.gz LYYHLKVXAAMDOQ-UHFFFAOYSA-N 0 0 240.306 3.666 20 0 BHADRN CC1(c2noc(C3CCC(C4CC4)CC3)n2)CC1 ZINC000664899853 412041243 /nfs/dbraw/zinc/04/12/43/412041243.db2.gz OGQJFJHVLPPNJS-UHFFFAOYSA-N 0 0 246.354 3.805 20 0 BHADRN CC1(c2noc([C@H]3[C@@H]4CCCCCC[C@@H]43)n2)CC1 ZINC000664899975 412041883 /nfs/dbraw/zinc/04/18/83/412041883.db2.gz RWVIVVNTJCOXFF-GDNZZTSVSA-N 0 0 246.354 3.805 20 0 BHADRN CC1(c2noc(C3[C@@H]4CCCCCC[C@@H]34)n2)CC1 ZINC000664899976 412041968 /nfs/dbraw/zinc/04/19/68/412041968.db2.gz RWVIVVNTJCOXFF-GHMZBOCLSA-N 0 0 246.354 3.805 20 0 BHADRN CC1(c2noc(C3[C@H]4CCCCCC[C@H]34)n2)CC1 ZINC000664899977 412041483 /nfs/dbraw/zinc/04/14/83/412041483.db2.gz RWVIVVNTJCOXFF-QWRGUYRKSA-N 0 0 246.354 3.805 20 0 BHADRN CC1(c2noc(-c3ccsc3Cl)n2)CC1 ZINC000664900027 412041924 /nfs/dbraw/zinc/04/19/24/412041924.db2.gz UBLFRFPNINSGEY-UHFFFAOYSA-N 0 0 240.715 3.503 20 0 BHADRN CC1=CC[C@](C)(c2nc(C3(C)CC3)no2)CC1 ZINC000664900094 412041734 /nfs/dbraw/zinc/04/17/34/412041734.db2.gz VKBHYEFETVMHKH-AWEZNQCLSA-N 0 0 232.327 3.509 20 0 BHADRN CC1=CC[C@@](C)(c2nc(C3(C)CC3)no2)CC1 ZINC000664900095 412040910 /nfs/dbraw/zinc/04/09/10/412040910.db2.gz VKBHYEFETVMHKH-CQSZACIVSA-N 0 0 232.327 3.509 20 0 BHADRN CC1(c2noc(C3CCC4(CC4)CC3)n2)CC1 ZINC000664900369 410648864 /nfs/dbraw/zinc/64/88/64/410648864.db2.gz ZSOQKRLCOSYJHB-UHFFFAOYSA-N 0 0 232.327 3.559 20 0 BHADRN Cc1ccc(-c2noc(C3CC4(CC4)C3)n2)s1 ZINC000664900709 412042896 /nfs/dbraw/zinc/04/28/96/412042896.db2.gz ABPMXZJBZGRFAA-UHFFFAOYSA-N 0 0 246.335 3.764 20 0 BHADRN Cc1ccc(-c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)s1 ZINC000664902032 410648643 /nfs/dbraw/zinc/64/86/43/410648643.db2.gz MNTJKCZHKZYSPE-MYJAWHEDSA-N 0 0 246.335 3.620 20 0 BHADRN CCC/C=C\c1nc(-c2ccc(C)c(C)n2)no1 ZINC000664902092 412043471 /nfs/dbraw/zinc/04/34/71/412043471.db2.gz KRCJRZVJZNRXLL-SREVYHEPSA-N 0 0 243.310 3.562 20 0 BHADRN CCC/C=C/c1nc(-c2ccc(C)c(C)n2)no1 ZINC000664902093 412042543 /nfs/dbraw/zinc/04/25/43/412042543.db2.gz KRCJRZVJZNRXLL-VOTSOKGWSA-N 0 0 243.310 3.562 20 0 BHADRN 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/nfs/dbraw/zinc/68/62/16/410686216.db2.gz AFVAAYDUDQFSIP-HNNXBMFYSA-N 0 0 235.371 3.572 20 0 BHADRN CC1=CC[C@@](C)(C(=O)NC2CCCCC2)CC1 ZINC000665071862 410686863 /nfs/dbraw/zinc/68/68/63/410686863.db2.gz AFVAAYDUDQFSIP-OAHLLOKOSA-N 0 0 235.371 3.572 20 0 BHADRN Cc1cc(F)cc(C)c1C(=O)NC1CCCCC1 ZINC000665071982 412081079 /nfs/dbraw/zinc/08/10/79/412081079.db2.gz GRXMYEQKDCUPRT-UHFFFAOYSA-N 0 0 249.329 3.505 20 0 BHADRN O=C(NC1CCCCC1)c1ccc(C2CC2)cc1 ZINC000665072124 412080709 /nfs/dbraw/zinc/08/07/09/412080709.db2.gz KWBIEFSPISTIKM-UHFFFAOYSA-N 0 0 243.350 3.627 20 0 BHADRN O=C(NC1CCCCC1)C1CCC(C2CC2)CC1 ZINC000665072694 412082615 /nfs/dbraw/zinc/08/26/15/412082615.db2.gz GORUTKOZRCVGLJ-UHFFFAOYSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(c1cccc(C2CCCC2)c1)N1CCCC1 ZINC000665072938 412081870 /nfs/dbraw/zinc/08/18/70/412081870.db2.gz KEVJRRYCVBHXCG-UHFFFAOYSA-N 0 0 243.350 3.580 20 0 BHADRN O=C(NC1CCCCC1)C1CC2(C1)CCCCC2 ZINC000665073413 412082405 /nfs/dbraw/zinc/08/24/05/412082405.db2.gz YRBVMHBKSJCVGR-UHFFFAOYSA-N 0 0 249.398 3.796 20 0 BHADRN CN(C(=O)C1CCC2(CC2)CC1)c1ccccc1 ZINC000665075258 412082113 /nfs/dbraw/zinc/08/21/13/412082113.db2.gz PNNASTAVPMOACS-UHFFFAOYSA-N 0 0 243.350 3.620 20 0 BHADRN CC1=CC[C@](C)(C(=O)N(C)c2ccccc2)CC1 ZINC000665075481 412083508 /nfs/dbraw/zinc/08/35/08/412083508.db2.gz QHJZRUJOSBMDRC-INIZCTEOSA-N 0 0 243.350 3.786 20 0 BHADRN CC1=CC[C@@](C)(C(=O)N(C)c2ccccc2)CC1 ZINC000665075483 412083070 /nfs/dbraw/zinc/08/30/70/412083070.db2.gz QHJZRUJOSBMDRC-MRXNPFEDSA-N 0 0 243.350 3.786 20 0 BHADRN CN(C(=O)[C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000665076085 412083760 /nfs/dbraw/zinc/08/37/60/412083760.db2.gz UYPRXJWGZITBTK-CYBMUJFWSA-N 0 0 243.350 3.620 20 0 BHADRN CN(C(=O)[C@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000665076089 412083563 /nfs/dbraw/zinc/08/35/63/412083563.db2.gz UYPRXJWGZITBTK-ZDUSSCGKSA-N 0 0 243.350 3.620 20 0 BHADRN O=C(Nc1ccccc1)[C@@H]1CCCC2(CC2)C1 ZINC000665076357 412083628 /nfs/dbraw/zinc/08/36/28/412083628.db2.gz KZPRTDRIHVJCLD-GFCCVEGCSA-N 0 0 229.323 3.596 20 0 BHADRN O=C(Nc1ccccc1)[C@H]1CCCC2(CC2)C1 ZINC000665076358 412083297 /nfs/dbraw/zinc/08/32/97/412083297.db2.gz KZPRTDRIHVJCLD-LBPRGKRZSA-N 0 0 229.323 3.596 20 0 BHADRN O=C(Nc1ccccc1)C1CCC2(CC2)CC1 ZINC000665076734 412083697 /nfs/dbraw/zinc/08/36/97/412083697.db2.gz MDKBATHIRDKCAX-UHFFFAOYSA-N 0 0 229.323 3.596 20 0 BHADRN CC1=CC[C@](C)(C(=O)Nc2ccccc2)CC1 ZINC000665076809 412083329 /nfs/dbraw/zinc/08/33/29/412083329.db2.gz NTYFZYFNPZEYQI-HNNXBMFYSA-N 0 0 229.323 3.762 20 0 BHADRN CC1=CC[C@@](C)(C(=O)Nc2ccccc2)CC1 ZINC000665076810 412083611 /nfs/dbraw/zinc/08/36/11/412083611.db2.gz NTYFZYFNPZEYQI-OAHLLOKOSA-N 0 0 229.323 3.762 20 0 BHADRN Cc1ccccc1NC(=O)C1CCC2(CC2)CC1 ZINC000665077702 412083471 /nfs/dbraw/zinc/08/34/71/412083471.db2.gz NDJYKZIMIVCMGV-UHFFFAOYSA-N 0 0 243.350 3.904 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000665078576 412083929 /nfs/dbraw/zinc/08/39/29/412083929.db2.gz XVCSXHLRASYPBM-CYBMUJFWSA-N 0 0 243.350 3.904 20 0 BHADRN Cc1ccccc1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000665078577 412083705 /nfs/dbraw/zinc/08/37/05/412083705.db2.gz XVCSXHLRASYPBM-ZDUSSCGKSA-N 0 0 243.350 3.904 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1C ZINC000665078755 412083002 /nfs/dbraw/zinc/08/30/02/412083002.db2.gz DTKNETCECFVXFE-BFHYXJOUSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1C ZINC000665078756 412083031 /nfs/dbraw/zinc/08/30/31/412083031.db2.gz DTKNETCECFVXFE-MCIONIFRSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CCC2(C)C)c1C ZINC000665079344 412084620 /nfs/dbraw/zinc/08/46/20/412084620.db2.gz LOTLLLOGSUUGKB-GFCCVEGCSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CCC2(C)C)c1C ZINC000665079345 412084494 /nfs/dbraw/zinc/08/44/94/412084494.db2.gz LOTLLLOGSUUGKB-LBPRGKRZSA-N 0 0 231.339 3.678 20 0 BHADRN O=C(Nc1ccc(F)cc1)C1CCC2(CC2)CC1 ZINC000665080760 412084960 /nfs/dbraw/zinc/08/49/60/412084960.db2.gz BCAPDDLQMKBKSU-UHFFFAOYSA-N 0 0 247.313 3.735 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CCC2(C)C)c(C)c1 ZINC000665080933 412084555 /nfs/dbraw/zinc/08/45/55/412084555.db2.gz LDSRBRVPIAFLFL-GFCCVEGCSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC2(C)C)c(C)c1 ZINC000665080937 412085215 /nfs/dbraw/zinc/08/52/15/412085215.db2.gz LDSRBRVPIAFLFL-LBPRGKRZSA-N 0 0 231.339 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000665081359 412084354 /nfs/dbraw/zinc/08/43/54/412084354.db2.gz PNQMEWIWUCLSST-BFHYXJOUSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)c1 ZINC000665081360 412084911 /nfs/dbraw/zinc/08/49/11/412084911.db2.gz PNQMEWIWUCLSST-MCIONIFRSA-N 0 0 243.350 3.678 20 0 BHADRN O=C(Nc1ccc(F)cc1)[C@@H]1CCCC2(CC2)C1 ZINC000665081460 412085099 /nfs/dbraw/zinc/08/50/99/412085099.db2.gz JKIGWGMWVZBVSC-LLVKDONJSA-N 0 0 247.313 3.735 20 0 BHADRN O=C(Nc1ccc(F)cc1)[C@H]1CCCC2(CC2)C1 ZINC000665081461 412084381 /nfs/dbraw/zinc/08/43/81/412084381.db2.gz JKIGWGMWVZBVSC-NSHDSACASA-N 0 0 247.313 3.735 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1C ZINC000665082149 412084861 /nfs/dbraw/zinc/08/48/61/412084861.db2.gz XVMVDCZTOPWYJS-NWANDNLSSA-N 0 0 243.350 3.678 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1C ZINC000665082150 412084883 /nfs/dbraw/zinc/08/48/83/412084883.db2.gz XVMVDCZTOPWYJS-YUELXQCFSA-N 0 0 243.350 3.678 20 0 BHADRN CC1(C)CC[C@@H]1C(=O)Nc1ccccc1Cl ZINC000665084922 412085984 /nfs/dbraw/zinc/08/59/84/412085984.db2.gz PWUKTXLKYGIQTE-SECBINFHSA-N 0 0 237.730 3.715 20 0 BHADRN CC1(C)CC[C@H]1C(=O)Nc1ccccc1Cl ZINC000665084927 412086216 /nfs/dbraw/zinc/08/62/16/412086216.db2.gz PWUKTXLKYGIQTE-VIFPVBQESA-N 0 0 237.730 3.715 20 0 BHADRN O=C(Nc1ccccc1Cl)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665085699 412085961 /nfs/dbraw/zinc/08/59/61/412085961.db2.gz XAUUKZRLZQOOMA-HBNTYKKESA-N 0 0 249.741 3.715 20 0 BHADRN O=C(Nc1ccccc1Cl)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665085700 412085970 /nfs/dbraw/zinc/08/59/70/412085970.db2.gz XAUUKZRLZQOOMA-MXWKQRLJSA-N 0 0 249.741 3.715 20 0 BHADRN 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3.705 20 0 BHADRN c1nc2c(cc1N[C@@H]1CCC13CCC3)CCCC2 ZINC000669703769 487700831 /nfs/dbraw/zinc/70/08/31/487700831.db2.gz QEBZMLGPZWJRRW-OAHLLOKOSA-N 0 0 242.366 3.705 20 0 BHADRN c1cc2cccc(N[C@@H]3CCC34CCC4)c2[nH]1 ZINC000669704114 487700971 /nfs/dbraw/zinc/70/09/71/487700971.db2.gz KRZVYKGXQCETCU-CYBMUJFWSA-N 0 0 226.323 3.913 20 0 BHADRN c1cc2cccc(N[C@H]3CCC34CCC4)c2[nH]1 ZINC000669704115 487700937 /nfs/dbraw/zinc/70/09/37/487700937.db2.gz KRZVYKGXQCETCU-ZDUSSCGKSA-N 0 0 226.323 3.913 20 0 BHADRN COCCc1ccccc1N[C@H]1CCC12CCC2 ZINC000669704220 487701081 /nfs/dbraw/zinc/70/10/81/487701081.db2.gz COYOOMQEQOKVRI-HNNXBMFYSA-N 0 0 245.366 3.620 20 0 BHADRN COCCc1ccccc1N[C@@H]1CCC12CCC2 ZINC000669704221 487701029 /nfs/dbraw/zinc/70/10/29/487701029.db2.gz COYOOMQEQOKVRI-OAHLLOKOSA-N 0 0 245.366 3.620 20 0 BHADRN Cn1ccc2cccc(N[C@H]3CCC34CCC4)c21 ZINC000669704328 487701263 /nfs/dbraw/zinc/70/12/63/487701263.db2.gz RMEODFKPQSYQSA-AWEZNQCLSA-N 0 0 240.350 3.923 20 0 BHADRN Cn1ccc2cccc(N[C@@H]3CCC34CCC4)c21 ZINC000669704329 487700827 /nfs/dbraw/zinc/70/08/27/487700827.db2.gz RMEODFKPQSYQSA-CQSZACIVSA-N 0 0 240.350 3.923 20 0 BHADRN CCCC[C@@H](C)C(=O)NCCCC(C)(C)C ZINC000669706174 487704970 /nfs/dbraw/zinc/70/49/70/487704970.db2.gz RXWJAOMOXJVZBA-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC[C@H](C)C(=O)NCCCC(C)(C)C ZINC000669706175 487704998 /nfs/dbraw/zinc/70/49/98/487704998.db2.gz RXWJAOMOXJVZBA-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ncc(Cl)s1 ZINC000669706678 487706269 /nfs/dbraw/zinc/70/62/69/487706269.db2.gz ZCSXUQUGSKCQPG-SSDOTTSWSA-N 0 0 246.763 3.561 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ncc(Cl)s1 ZINC000669706679 487706123 /nfs/dbraw/zinc/70/61/23/487706123.db2.gz ZCSXUQUGSKCQPG-ZETCQYMHSA-N 0 0 246.763 3.561 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1cc(O)c(C)cc1C ZINC000669717612 487572035 /nfs/dbraw/zinc/57/20/35/487572035.db2.gz NGRDAAIQJAHYGN-JTQLQIEISA-N 0 0 249.354 3.774 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1cc(O)c(C)cc1C ZINC000669717613 487572116 /nfs/dbraw/zinc/57/21/16/487572116.db2.gz NGRDAAIQJAHYGN-SNVBAGLBSA-N 0 0 249.354 3.774 20 0 BHADRN C[C@H](NC(=O)Nc1ccccc1)c1ccsc1 ZINC000669819792 487858645 /nfs/dbraw/zinc/85/86/45/487858645.db2.gz ZWGBPRIICPHOKQ-JTQLQIEISA-N 0 0 246.335 3.631 20 0 BHADRN C[C@@H](NC(=O)Nc1ccccc1)c1ccsc1 ZINC000669819793 487858852 /nfs/dbraw/zinc/85/88/52/487858852.db2.gz ZWGBPRIICPHOKQ-SNVBAGLBSA-N 0 0 246.335 3.631 20 0 BHADRN CCc1cc(C)nc(N[C@@H](C)c2ccsc2)n1 ZINC000669827203 487866093 /nfs/dbraw/zinc/86/60/93/487866093.db2.gz WZPRTWLGVQTPHJ-JTQLQIEISA-N 0 0 247.367 3.582 20 0 BHADRN CCc1cc(C)nc(N[C@H](C)c2ccsc2)n1 ZINC000669827204 487865998 /nfs/dbraw/zinc/86/59/98/487865998.db2.gz WZPRTWLGVQTPHJ-SNVBAGLBSA-N 0 0 247.367 3.582 20 0 BHADRN C[C@@H](Nc1ccnc(C2CC2)n1)c1ccsc1 ZINC000669827313 487866177 /nfs/dbraw/zinc/86/61/77/487866177.db2.gz HKMITEIDOTXENT-SECBINFHSA-N 0 0 245.351 3.589 20 0 BHADRN C[C@H](Nc1ccnc(C2CC2)n1)c1ccsc1 ZINC000669827314 487865520 /nfs/dbraw/zinc/86/55/20/487865520.db2.gz HKMITEIDOTXENT-VIFPVBQESA-N 0 0 245.351 3.589 20 0 BHADRN CC(=O)c1ccc(N[C@H](C)c2ccsc2)nc1 ZINC000669827363 487865575 /nfs/dbraw/zinc/86/55/75/487865575.db2.gz MRGWGBKGDUXFFI-SECBINFHSA-N 0 0 246.335 3.519 20 0 BHADRN CC(=O)c1ccc(N[C@@H](C)c2ccsc2)nc1 ZINC000669827364 487865859 /nfs/dbraw/zinc/86/58/59/487865859.db2.gz MRGWGBKGDUXFFI-VIFPVBQESA-N 0 0 246.335 3.519 20 0 BHADRN CSc1ccncc1N[C@H]1CC[C@@H]1C1CCC1 ZINC000669848960 487883741 /nfs/dbraw/zinc/88/37/41/487883741.db2.gz QPEOAGPASFBAEK-NEPJUHHUSA-N 0 0 248.395 3.794 20 0 BHADRN CSc1ccncc1N[C@@H]1CC[C@H]1C1CCC1 ZINC000669848961 487883795 /nfs/dbraw/zinc/88/37/95/487883795.db2.gz QPEOAGPASFBAEK-NWDGAFQWSA-N 0 0 248.395 3.794 20 0 BHADRN CSc1ccncc1N[C@H]1CC[C@H]1C1CCC1 ZINC000669848962 487883502 /nfs/dbraw/zinc/88/35/02/487883502.db2.gz QPEOAGPASFBAEK-RYUDHWBXSA-N 0 0 248.395 3.794 20 0 BHADRN CSc1ccncc1N[C@@H]1CC[C@@H]1C1CCC1 ZINC000669848963 487883493 /nfs/dbraw/zinc/88/34/93/487883493.db2.gz QPEOAGPASFBAEK-VXGBXAGGSA-N 0 0 248.395 3.794 20 0 BHADRN C[C@@H](NC(=O)CC1=CCCCC1)c1ccsc1 ZINC000669860392 487893548 /nfs/dbraw/zinc/89/35/48/487893548.db2.gz FKPYSTNYAPSJLY-LLVKDONJSA-N 0 0 249.379 3.816 20 0 BHADRN C[C@H](NC(=O)CC1=CCCCC1)c1ccsc1 ZINC000669860393 487893322 /nfs/dbraw/zinc/89/33/22/487893322.db2.gz FKPYSTNYAPSJLY-NSHDSACASA-N 0 0 249.379 3.816 20 0 BHADRN CCC(CC)CC(=O)N[C@@H](C)c1ccsc1 ZINC000669861041 487893410 /nfs/dbraw/zinc/89/34/10/487893410.db2.gz XZWFWEVAWCJAAG-JTQLQIEISA-N 0 0 239.384 3.752 20 0 BHADRN CCC(CC)CC(=O)N[C@H](C)c1ccsc1 ZINC000669861042 487893763 /nfs/dbraw/zinc/89/37/63/487893763.db2.gz XZWFWEVAWCJAAG-SNVBAGLBSA-N 0 0 239.384 3.752 20 0 BHADRN Cc1cccc(C(=O)N[C@H](C)c2ccsc2)c1 ZINC000669861445 487894443 /nfs/dbraw/zinc/89/44/43/487894443.db2.gz HWPHSOSDQWRUEW-LLVKDONJSA-N 0 0 245.347 3.548 20 0 BHADRN Cc1cccc(C(=O)N[C@@H](C)c2ccsc2)c1 ZINC000669861446 487894616 /nfs/dbraw/zinc/89/46/16/487894616.db2.gz HWPHSOSDQWRUEW-NSHDSACASA-N 0 0 245.347 3.548 20 0 BHADRN C[C@H](NC(=O)C1CCCCC1)c1ccsc1 ZINC000669862510 487894414 /nfs/dbraw/zinc/89/44/14/487894414.db2.gz LUSJYRNMRSWSRV-JTQLQIEISA-N 0 0 237.368 3.506 20 0 BHADRN C[C@@H](NC(=O)C1CCCCC1)c1ccsc1 ZINC000669862511 487894142 /nfs/dbraw/zinc/89/41/42/487894142.db2.gz LUSJYRNMRSWSRV-SNVBAGLBSA-N 0 0 237.368 3.506 20 0 BHADRN C[C@@H](NC(=O)C1=CCCCCC1)c1ccsc1 ZINC000669863652 487895590 /nfs/dbraw/zinc/89/55/90/487895590.db2.gz YWHDLXGATLKFJK-LLVKDONJSA-N 0 0 249.379 3.816 20 0 BHADRN C[C@H](NC(=O)C1=CCCCCC1)c1ccsc1 ZINC000669863653 487895226 /nfs/dbraw/zinc/89/52/26/487895226.db2.gz YWHDLXGATLKFJK-NSHDSACASA-N 0 0 249.379 3.816 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@@H](C)c1ccsc1 ZINC000669864048 487895442 /nfs/dbraw/zinc/89/54/42/487895442.db2.gz JVCVNENUOFWAEV-JTQLQIEISA-N 0 0 239.384 3.608 20 0 BHADRN CC(C)C(C)(C)C(=O)N[C@H](C)c1ccsc1 ZINC000669864049 487895447 /nfs/dbraw/zinc/89/54/47/487895447.db2.gz JVCVNENUOFWAEV-SNVBAGLBSA-N 0 0 239.384 3.608 20 0 BHADRN C[C@H](NC(=O)CCC1CCC1)c1ccsc1 ZINC000669864416 487894450 /nfs/dbraw/zinc/89/44/50/487894450.db2.gz UPLLCAVQNSQSGW-JTQLQIEISA-N 0 0 237.368 3.506 20 0 BHADRN C[C@@H](NC(=O)CCC1CCC1)c1ccsc1 ZINC000669864417 487894356 /nfs/dbraw/zinc/89/43/56/487894356.db2.gz UPLLCAVQNSQSGW-SNVBAGLBSA-N 0 0 237.368 3.506 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H](C)c1ccsc1 ZINC000669864516 487894382 /nfs/dbraw/zinc/89/43/82/487894382.db2.gz XGYKXGWVYCFKRT-JTQLQIEISA-N 0 0 239.384 3.752 20 0 BHADRN CCC(C)(CC)C(=O)N[C@H](C)c1ccsc1 ZINC000669864517 487894283 /nfs/dbraw/zinc/89/42/83/487894283.db2.gz XGYKXGWVYCFKRT-SNVBAGLBSA-N 0 0 239.384 3.752 20 0 BHADRN Cc1ccc(C(=O)N[C@H](C)c2ccsc2)cc1 ZINC000669864760 487896460 /nfs/dbraw/zinc/89/64/60/487896460.db2.gz DOKKNYNARWMXQM-LLVKDONJSA-N 0 0 245.347 3.548 20 0 BHADRN Cc1ccc(C(=O)N[C@@H](C)c2ccsc2)cc1 ZINC000669864761 487896376 /nfs/dbraw/zinc/89/63/76/487896376.db2.gz DOKKNYNARWMXQM-NSHDSACASA-N 0 0 245.347 3.548 20 0 BHADRN C[C@H](NC(=O)CCC(C)(C)C)c1ccsc1 ZINC000669864981 487895277 /nfs/dbraw/zinc/89/52/77/487895277.db2.gz LAIIXUXVEPVASV-JTQLQIEISA-N 0 0 239.384 3.752 20 0 BHADRN C[C@@H](NC(=O)CCC(C)(C)C)c1ccsc1 ZINC000669864982 487895647 /nfs/dbraw/zinc/89/56/47/487895647.db2.gz LAIIXUXVEPVASV-SNVBAGLBSA-N 0 0 239.384 3.752 20 0 BHADRN CCCC1(C(=O)N[C@@H](C)c2ccsc2)CC1 ZINC000669865133 487896660 /nfs/dbraw/zinc/89/66/60/487896660.db2.gz PLHCEXOVRRDYRC-JTQLQIEISA-N 0 0 237.368 3.506 20 0 BHADRN CCCC1(C(=O)N[C@H](C)c2ccsc2)CC1 ZINC000669865134 487896644 /nfs/dbraw/zinc/89/66/44/487896644.db2.gz PLHCEXOVRRDYRC-SNVBAGLBSA-N 0 0 237.368 3.506 20 0 BHADRN CCC(C)(C)CC(=O)N[C@@H](C)c1ccsc1 ZINC000669865444 487896506 /nfs/dbraw/zinc/89/65/06/487896506.db2.gz XVXPXTDMHKQCKR-JTQLQIEISA-N 0 0 239.384 3.752 20 0 BHADRN CCC(C)(C)CC(=O)N[C@H](C)c1ccsc1 ZINC000669865445 487896358 /nfs/dbraw/zinc/89/63/58/487896358.db2.gz XVXPXTDMHKQCKR-SNVBAGLBSA-N 0 0 239.384 3.752 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@H](C)c1ccsc1 ZINC000669865587 487896666 /nfs/dbraw/zinc/89/66/66/487896666.db2.gz BNABDTAGBUROBY-GHMZBOCLSA-N 0 0 239.384 3.752 20 0 BHADRN CCCC[C@@H](C)C(=O)N[C@@H](C)c1ccsc1 ZINC000669865588 487896700 /nfs/dbraw/zinc/89/67/00/487896700.db2.gz BNABDTAGBUROBY-MNOVXSKESA-N 0 0 239.384 3.752 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@@H](C)c1ccsc1 ZINC000669865589 487896539 /nfs/dbraw/zinc/89/65/39/487896539.db2.gz BNABDTAGBUROBY-QWRGUYRKSA-N 0 0 239.384 3.752 20 0 BHADRN CCCC[C@H](C)C(=O)N[C@H](C)c1ccsc1 ZINC000669865590 487896269 /nfs/dbraw/zinc/89/62/69/487896269.db2.gz BNABDTAGBUROBY-WDEREUQCSA-N 0 0 239.384 3.752 20 0 BHADRN C[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccsc1 ZINC000669866504 487896494 /nfs/dbraw/zinc/89/64/94/487896494.db2.gz ZEVIYQBTDLLAGZ-NEPJUHHUSA-N 0 0 249.379 3.672 20 0 BHADRN C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccsc1 ZINC000669866505 487896597 /nfs/dbraw/zinc/89/65/97/487896597.db2.gz ZEVIYQBTDLLAGZ-NWDGAFQWSA-N 0 0 249.379 3.672 20 0 BHADRN C[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccsc1 ZINC000669866506 487896346 /nfs/dbraw/zinc/89/63/46/487896346.db2.gz ZEVIYQBTDLLAGZ-RYUDHWBXSA-N 0 0 249.379 3.672 20 0 BHADRN C[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccsc1 ZINC000669866507 487896587 /nfs/dbraw/zinc/89/65/87/487896587.db2.gz ZEVIYQBTDLLAGZ-VXGBXAGGSA-N 0 0 249.379 3.672 20 0 BHADRN CCCCCC(=O)N[C@@H](C)c1ccsc1 ZINC000669867062 487897470 /nfs/dbraw/zinc/89/74/70/487897470.db2.gz PAHZYTRJQNCKCJ-JTQLQIEISA-N 0 0 225.357 3.506 20 0 BHADRN CCCCCC(=O)N[C@H](C)c1ccsc1 ZINC000669867063 487897518 /nfs/dbraw/zinc/89/75/18/487897518.db2.gz PAHZYTRJQNCKCJ-SNVBAGLBSA-N 0 0 225.357 3.506 20 0 BHADRN Cc1ccccc1C(=O)N[C@H](C)c1ccsc1 ZINC000669867206 487897496 /nfs/dbraw/zinc/89/74/96/487897496.db2.gz UBEFMZMYZTYHAU-LLVKDONJSA-N 0 0 245.347 3.548 20 0 BHADRN Cc1ccccc1C(=O)N[C@@H](C)c1ccsc1 ZINC000669867207 487897149 /nfs/dbraw/zinc/89/71/49/487897149.db2.gz UBEFMZMYZTYHAU-NSHDSACASA-N 0 0 245.347 3.548 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N[C@H](C)c1ccsc1 ZINC000669867218 487897506 /nfs/dbraw/zinc/89/75/06/487897506.db2.gz UFPDHXVVHKBJKN-GHMZBOCLSA-N 0 0 239.384 3.608 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccsc1 ZINC000669867219 487897234 /nfs/dbraw/zinc/89/72/34/487897234.db2.gz UFPDHXVVHKBJKN-MNOVXSKESA-N 0 0 239.384 3.608 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@@H](C)c1ccsc1 ZINC000669867220 487897405 /nfs/dbraw/zinc/89/74/05/487897405.db2.gz UFPDHXVVHKBJKN-QWRGUYRKSA-N 0 0 239.384 3.608 20 0 BHADRN CC(C)C[C@H](C)C(=O)N[C@H](C)c1ccsc1 ZINC000669867221 487897023 /nfs/dbraw/zinc/89/70/23/487897023.db2.gz UFPDHXVVHKBJKN-WDEREUQCSA-N 0 0 239.384 3.608 20 0 BHADRN C[C@H](NC(=O)C1(C)CCCC1)c1ccsc1 ZINC000669867492 487898246 /nfs/dbraw/zinc/89/82/46/487898246.db2.gz FTCHOQMWWPUPGK-JTQLQIEISA-N 0 0 237.368 3.506 20 0 BHADRN C[C@@H](NC(=O)C1(C)CCCC1)c1ccsc1 ZINC000669867493 487898231 /nfs/dbraw/zinc/89/82/31/487898231.db2.gz FTCHOQMWWPUPGK-SNVBAGLBSA-N 0 0 237.368 3.506 20 0 BHADRN CCC[C@@H](C)CC(=O)N[C@H](C)c1ccsc1 ZINC000669867577 487898590 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CCc1ccc([C@H](C)N[C@@H]2CCCC2(F)F)o1 ZINC000672622586 488262475 /nfs/dbraw/zinc/26/24/75/488262475.db2.gz NLOMGWNITXBHIC-JOYOIKCWSA-N 0 0 243.297 3.680 20 0 BHADRN CCc1ccc([C@@H](C)N[C@H]2CCCC2(F)F)o1 ZINC000672622587 488262358 /nfs/dbraw/zinc/26/23/58/488262358.db2.gz NLOMGWNITXBHIC-SKDRFNHKSA-N 0 0 243.297 3.680 20 0 BHADRN Cc1cc(C(=O)Nc2ccc(C3CC3)cc2)co1 ZINC000672930017 488269478 /nfs/dbraw/zinc/26/94/78/488269478.db2.gz KZLSNOXPGSTJPW-UHFFFAOYSA-N 0 0 241.290 3.718 20 0 BHADRN CC(C)(C(=O)Nc1ccc(C2CC2)cc1)C1CC1 ZINC000673048106 488271976 /nfs/dbraw/zinc/27/19/76/488271976.db2.gz OCCZHPKMZZEMAE-UHFFFAOYSA-N 0 0 243.350 3.939 20 0 BHADRN CCCCC(=O)Nc1ccc(O)c2ccccc12 ZINC000673194500 488278661 /nfs/dbraw/zinc/27/86/61/488278661.db2.gz CLFQFTADQDIARE-UHFFFAOYSA-N 0 0 243.306 3.674 20 0 BHADRN CCc1cc(NC(=O)C(C)(C)C2CC2)ccc1F ZINC000673277310 488280965 /nfs/dbraw/zinc/28/09/65/488280965.db2.gz ANLZGJLOLIXBLA-UHFFFAOYSA-N 0 0 249.329 3.763 20 0 BHADRN CCC(CC)(CC)C(=O)NCCC1(F)CCC1 ZINC000673310423 488281171 /nfs/dbraw/zinc/28/11/71/488281171.db2.gz OUENVJZQRHISKI-UHFFFAOYSA-N 0 0 243.366 3.601 20 0 BHADRN CCC(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000673323094 488281001 /nfs/dbraw/zinc/28/10/01/488281001.db2.gz GZNCNKRZUPGODA-JTQLQIEISA-N 0 0 245.297 3.566 20 0 BHADRN CCC(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000673323095 488281004 /nfs/dbraw/zinc/28/10/04/488281004.db2.gz GZNCNKRZUPGODA-SNVBAGLBSA-N 0 0 245.297 3.566 20 0 BHADRN C/C=C\c1ccc(NC(=O)C2[C@@H]3CCC[C@H]23)cc1 ZINC000673352728 488281687 /nfs/dbraw/zinc/28/16/87/488281687.db2.gz IOILNZNRRQACEY-JYFVJUBJSA-N 0 0 241.334 3.704 20 0 BHADRN C/C=C/c1ccc(NC(=O)C2[C@@H]3CCC[C@H]23)cc1 ZINC000673352730 490262890 /nfs/dbraw/zinc/26/28/90/490262890.db2.gz IOILNZNRRQACEY-NROAWDPESA-N 0 0 241.334 3.704 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@H]1CCCC1(F)F ZINC000673378014 488282470 /nfs/dbraw/zinc/28/24/70/488282470.db2.gz MKYBIRZFXSBMQO-CMPLNLGQSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CCCC1(F)F ZINC000673378016 488282562 /nfs/dbraw/zinc/28/25/62/488282562.db2.gz MKYBIRZFXSBMQO-JQWIXIFHSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H]1CCCC1(F)F ZINC000673378017 488282571 /nfs/dbraw/zinc/28/25/71/488282571.db2.gz MKYBIRZFXSBMQO-PWSUYJOCSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@@H]1CCCC1(F)F ZINC000673378019 488282378 /nfs/dbraw/zinc/28/23/78/488282378.db2.gz MKYBIRZFXSBMQO-ZYHUDNBSSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC(CCC)C(=O)N[C@@H]1CCCC1(F)F ZINC000673381352 488283653 /nfs/dbraw/zinc/28/36/53/488283653.db2.gz ZSYZSEFEJMAYCA-LLVKDONJSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC(CCC)C(=O)N[C@H]1CCCC1(F)F ZINC000673381354 488283632 /nfs/dbraw/zinc/28/36/32/488283632.db2.gz ZSYZSEFEJMAYCA-NSHDSACASA-N 0 0 247.329 3.507 20 0 BHADRN CCC(CC)(CC)C(=O)N[C@H]1CCCC1(F)F ZINC000673381543 487559368 /nfs/dbraw/zinc/55/93/68/487559368.db2.gz PYDOOVXXBIPSBB-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC(CC)(CC)C(=O)N[C@@H]1CCCC1(F)F ZINC000673381546 487559305 /nfs/dbraw/zinc/55/93/05/487559305.db2.gz PYDOOVXXBIPSBB-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN Cc1ccccc1NC(=O)CC1(C)CCCC1 ZINC000673422434 488285781 /nfs/dbraw/zinc/28/57/81/488285781.db2.gz LBZSOWSRIVXURB-UHFFFAOYSA-N 0 0 231.339 3.904 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC000673422464 488285673 /nfs/dbraw/zinc/28/56/73/488285673.db2.gz IOGKWGATRLUZME-CYBMUJFWSA-N 0 0 237.387 3.748 20 0 BHADRN CC[C@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC000673422465 488285715 /nfs/dbraw/zinc/28/57/15/488285715.db2.gz IOGKWGATRLUZME-ZDUSSCGKSA-N 0 0 237.387 3.748 20 0 BHADRN CCC(C)(C)NC(=O)C(C1CCC1)C1CCC1 ZINC000673427191 488286249 /nfs/dbraw/zinc/28/62/49/488286249.db2.gz DEELNZWXIYXZSE-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N1C(=O)CC1(C)CCCC1 ZINC000673468258 488287490 /nfs/dbraw/zinc/28/74/90/488287490.db2.gz YGVMFEDNKKEJJL-CHWSQXEVSA-N 0 0 237.387 3.746 20 0 BHADRN C[C@H]1CCC[C@H](C)N1C(=O)CC1(C)CCCC1 ZINC000673468268 488287813 /nfs/dbraw/zinc/28/78/13/488287813.db2.gz YGVMFEDNKKEJJL-STQMWFEESA-N 0 0 237.387 3.746 20 0 BHADRN C/C=C\c1ccc(Nc2nc(C)ns2)cc1 ZINC000673471376 488288082 /nfs/dbraw/zinc/28/80/82/488288082.db2.gz LFDJPBNAJMVKFU-ARJAWSKDSA-N 0 0 231.324 3.623 20 0 BHADRN C/C=C/c1ccc(Nc2nc(C)ns2)cc1 ZINC000673471379 488288069 /nfs/dbraw/zinc/28/80/69/488288069.db2.gz LFDJPBNAJMVKFU-ONEGZZNKSA-N 0 0 231.324 3.623 20 0 BHADRN CC1(CC(=O)NCCC2CCCC2)CCCC1 ZINC000673480391 487793897 /nfs/dbraw/zinc/79/38/97/487793897.db2.gz HWHNCXYVRRRIIL-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CC1(CC(=O)N(C2CC2)C2CCCC2)CCCC1 ZINC000673480501 488289874 /nfs/dbraw/zinc/28/98/74/488289874.db2.gz FCZPFQIGRVNPLL-UHFFFAOYSA-N 0 0 249.398 3.890 20 0 BHADRN CCN(C(=O)CC1(C)CCCC1)C1CCCC1 ZINC000673489355 488289918 /nfs/dbraw/zinc/28/99/18/488289918.db2.gz QTJOWCJWSQGYDA-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CCC(CC)N(CC)c1cc(C(C)C)ncn1 ZINC000673500012 488292331 /nfs/dbraw/zinc/29/23/31/488292331.db2.gz MTFOHQWXRUKWNK-UHFFFAOYSA-N 0 0 235.375 3.615 20 0 BHADRN C[C@H](C1CC1)N(C(=O)CC1(C)CCCC1)C1CC1 ZINC000673528307 488294189 /nfs/dbraw/zinc/29/41/89/488294189.db2.gz WXASZLUVGSRRJC-GFCCVEGCSA-N 0 0 249.398 3.746 20 0 BHADRN C[C@@H](C1CC1)N(C(=O)CC1(C)CCCC1)C1CC1 ZINC000673528308 488294232 /nfs/dbraw/zinc/29/42/32/488294232.db2.gz WXASZLUVGSRRJC-LBPRGKRZSA-N 0 0 249.398 3.746 20 0 BHADRN c1ccc2cc(OCCOC3CCC3)ccc2c1 ZINC000673537915 488294741 /nfs/dbraw/zinc/29/47/41/488294741.db2.gz WAHYZGGKXXEUOT-UHFFFAOYSA-N 0 0 242.318 3.788 20 0 BHADRN c1cc2c(c(OCCOC3CCC3)c1)CCCC2 ZINC000673545918 488295338 /nfs/dbraw/zinc/29/53/38/488295338.db2.gz JVKUHNSPEORPRN-UHFFFAOYSA-N 0 0 246.350 3.513 20 0 BHADRN COCCCCOc1cc(F)c(C)cc1Cl ZINC000673549492 488295374 /nfs/dbraw/zinc/29/53/74/488295374.db2.gz DRQCCKXDDIQJHZ-UHFFFAOYSA-N 0 0 246.709 3.593 20 0 BHADRN CCOCCCOc1cc(F)c(C)cc1Cl ZINC000673549716 488295590 /nfs/dbraw/zinc/29/55/90/488295590.db2.gz WLFKAXDIYISIIZ-UHFFFAOYSA-N 0 0 246.709 3.593 20 0 BHADRN Cc1cc(Cl)c(OCCCCF)cc1F ZINC000673549949 488078104 /nfs/dbraw/zinc/07/81/04/488078104.db2.gz APTGINHIIQBVGH-UHFFFAOYSA-N 0 0 234.673 3.916 20 0 BHADRN CN(C(=O)CC1(C)CCCC1)c1ccc(F)cc1 ZINC000673559021 488296033 /nfs/dbraw/zinc/29/60/33/488296033.db2.gz FCAQGNAMFVKPKA-UHFFFAOYSA-N 0 0 249.329 3.759 20 0 BHADRN CCN(C(=O)c1csc(C)c1)[C@H](C)C(C)C ZINC000673575957 488296374 /nfs/dbraw/zinc/29/63/74/488296374.db2.gz IDDXAAMYQUHIGH-LLVKDONJSA-N 0 0 239.384 3.563 20 0 BHADRN CCN(C(=O)c1csc(C)c1)[C@@H](C)C(C)C ZINC000673575958 488296385 /nfs/dbraw/zinc/29/63/85/488296385.db2.gz IDDXAAMYQUHIGH-NSHDSACASA-N 0 0 239.384 3.563 20 0 BHADRN CN(C(=O)CC1(C)CCCC1)C(C1CC1)C1CC1 ZINC000673579277 488296453 /nfs/dbraw/zinc/29/64/53/488296453.db2.gz HLUORBMMNUGRDB-UHFFFAOYSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(CC)N(CC)C(=O)N(C)C(C)(C)CC ZINC000673581546 488296497 /nfs/dbraw/zinc/29/64/97/488296497.db2.gz LJRSWVOBBJRGFE-UHFFFAOYSA-N 0 0 242.407 3.737 20 0 BHADRN CCN(Cc1ccoc1)C(=O)CC1(C)CCCC1 ZINC000673588027 488296311 /nfs/dbraw/zinc/29/63/11/488296311.db2.gz MPCKDGVWALEJKP-UHFFFAOYSA-N 0 0 249.354 3.599 20 0 BHADRN CC(C)C(C)(C)NC(=O)CC1(C)CCCC1 ZINC000673594153 488296277 /nfs/dbraw/zinc/29/62/77/488296277.db2.gz PGPVTUQONSCGLR-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CC1(CC(=O)N2C[C@@H]3CCCC[C@H]3C2)CCCC1 ZINC000673605874 488297169 /nfs/dbraw/zinc/29/71/69/488297169.db2.gz LIKAMMRRFMCRCF-KBPBESRZSA-N 0 0 249.398 3.605 20 0 BHADRN CC1(CC(=O)N2C[C@H]3CCCC[C@@H]3C2)CCCC1 ZINC000673605875 488297121 /nfs/dbraw/zinc/29/71/21/488297121.db2.gz LIKAMMRRFMCRCF-ZIAGYGMSSA-N 0 0 249.398 3.605 20 0 BHADRN CC1(C)CCC[C@H]1NC(=O)CC1(C)CCCC1 ZINC000673605920 488296857 /nfs/dbraw/zinc/29/68/57/488296857.db2.gz UPFUUHHEHQKJKP-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CC1(C)CCC[C@@H]1NC(=O)CC1(C)CCCC1 ZINC000673605921 488297204 /nfs/dbraw/zinc/29/72/04/488297204.db2.gz UPFUUHHEHQKJKP-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCC(C)(CC)NC(=O)CC1(C)CCCC1 ZINC000673606885 488297659 /nfs/dbraw/zinc/29/76/59/488297659.db2.gz DMMYOJBRKCHAEY-UHFFFAOYSA-N 0 0 225.376 3.652 20 0 BHADRN C[C@@H]1CCCCCN1C(=O)CC1(C)CCCC1 ZINC000673608951 488297618 /nfs/dbraw/zinc/29/76/18/488297618.db2.gz LMYDMMYWMGJNGA-CYBMUJFWSA-N 0 0 237.387 3.748 20 0 BHADRN C[C@H]1CCCCCN1C(=O)CC1(C)CCCC1 ZINC000673608952 488297677 /nfs/dbraw/zinc/29/76/77/488297677.db2.gz LMYDMMYWMGJNGA-ZDUSSCGKSA-N 0 0 237.387 3.748 20 0 BHADRN C[C@@H]1CCCCN(C(=O)CC2(C)CCCC2)C1 ZINC000673609062 488297669 /nfs/dbraw/zinc/29/76/69/488297669.db2.gz JFYXHIIMFGJQFD-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@H]1CCCCN(C(=O)CC2(C)CCCC2)C1 ZINC000673609063 488297387 /nfs/dbraw/zinc/29/73/87/488297387.db2.gz JFYXHIIMFGJQFD-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1ccc(-c2ccc(CN[C@H](C)CF)o2)cc1 ZINC000673619499 488298167 /nfs/dbraw/zinc/29/81/67/488298167.db2.gz SJEOTECFKWFUPS-GFCCVEGCSA-N 0 0 247.313 3.703 20 0 BHADRN CC(C)c1cc(CN[C@H](C)c2ccccc2)on1 ZINC000673627750 488298390 /nfs/dbraw/zinc/29/83/90/488298390.db2.gz RYACIAJTWIXOGZ-GFCCVEGCSA-N 0 0 244.338 3.649 20 0 BHADRN CC(C)c1cc(CN[C@@H](C)c2ccccc2)on1 ZINC000673627752 488298064 /nfs/dbraw/zinc/29/80/64/488298064.db2.gz RYACIAJTWIXOGZ-LBPRGKRZSA-N 0 0 244.338 3.649 20 0 BHADRN CCCc1cccc(CN[C@@H](C)C(F)(F)F)c1 ZINC000673660324 487602428 /nfs/dbraw/zinc/60/24/28/487602428.db2.gz CTDWPGGRGDTGEP-JTQLQIEISA-N 0 0 245.288 3.680 20 0 BHADRN CCCc1cccc(CN[C@H](C)C(F)(F)F)c1 ZINC000673660325 487602062 /nfs/dbraw/zinc/60/20/62/487602062.db2.gz CTDWPGGRGDTGEP-SNVBAGLBSA-N 0 0 245.288 3.680 20 0 BHADRN CCCc1ccc(CN[C@@H](C)C(F)(F)F)cc1 ZINC000673660366 487602369 /nfs/dbraw/zinc/60/23/69/487602369.db2.gz KBJCCLLIBUJCEZ-JTQLQIEISA-N 0 0 245.288 3.680 20 0 BHADRN CCCc1ccc(CN[C@H](C)C(F)(F)F)cc1 ZINC000673660367 487601987 /nfs/dbraw/zinc/60/19/87/487601987.db2.gz KBJCCLLIBUJCEZ-SNVBAGLBSA-N 0 0 245.288 3.680 20 0 BHADRN CC1(C)C(C(=O)N2C3CCCC2CCC3)C1(C)C ZINC000673681970 488303200 /nfs/dbraw/zinc/30/32/00/488303200.db2.gz OBHKSOJTZYKWKI-UHFFFAOYSA-N 0 0 249.398 3.602 20 0 BHADRN c1cnc(SCCC2CCCCC2)cn1 ZINC000673697129 488305020 /nfs/dbraw/zinc/30/50/20/488305020.db2.gz QLQSZVZYMHEIAA-UHFFFAOYSA-N 0 0 222.357 3.539 20 0 BHADRN CCc1ccc(O)c(NC(=O)CC(C)(C)CC)c1 ZINC000673701799 488305111 /nfs/dbraw/zinc/30/51/11/488305111.db2.gz ONGAXDCASMFBRC-UHFFFAOYSA-N 0 0 249.354 3.719 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2ccnc(C(C)(C)C)n2)C1 ZINC000673709073 488304995 /nfs/dbraw/zinc/30/49/95/488304995.db2.gz DBCUQHSXGMJHGD-NEPJUHHUSA-N 0 0 247.386 3.765 20 0 BHADRN C[C@H]1CCC[C@@H](Nc2ccnc(C(C)(C)C)n2)C1 ZINC000673709075 488304950 /nfs/dbraw/zinc/30/49/50/488304950.db2.gz DBCUQHSXGMJHGD-NWDGAFQWSA-N 0 0 247.386 3.765 20 0 BHADRN C[C@H]1CCC[C@H](Nc2ccnc(C(C)(C)C)n2)C1 ZINC000673709076 488305053 /nfs/dbraw/zinc/30/50/53/488305053.db2.gz DBCUQHSXGMJHGD-RYUDHWBXSA-N 0 0 247.386 3.765 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2ccnc(C(C)(C)C)n2)C1 ZINC000673709078 488305105 /nfs/dbraw/zinc/30/51/05/488305105.db2.gz DBCUQHSXGMJHGD-VXGBXAGGSA-N 0 0 247.386 3.765 20 0 BHADRN Cc1ccc(Nc2ccnc(C(C)(C)C)n2)cc1 ZINC000673709432 488304859 /nfs/dbraw/zinc/30/48/59/488304859.db2.gz GDYZONVJFHKZOK-UHFFFAOYSA-N 0 0 241.338 3.826 20 0 BHADRN CC(C)(C)c1nccc(NCC2CCCCC2)n1 ZINC000673710012 488304983 /nfs/dbraw/zinc/30/49/83/488304983.db2.gz PRGBIAFAUIBCCE-UHFFFAOYSA-N 0 0 247.386 3.766 20 0 BHADRN CC(C)(C)c1nccc(NC2CCCCCC2)n1 ZINC000673710115 488304909 /nfs/dbraw/zinc/30/49/09/488304909.db2.gz SZQSSWAIIIHQFO-UHFFFAOYSA-N 0 0 247.386 3.909 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Nc1ccnc(C(C)(C)C)n1 ZINC000673710121 488305029 /nfs/dbraw/zinc/30/50/29/488305029.db2.gz UGMBYHYJZSHNJP-NEPJUHHUSA-N 0 0 247.386 3.765 20 0 BHADRN C[C@H]1CCCC[C@H]1Nc1ccnc(C(C)(C)C)n1 ZINC000673710122 488304929 /nfs/dbraw/zinc/30/49/29/488304929.db2.gz UGMBYHYJZSHNJP-NWDGAFQWSA-N 0 0 247.386 3.765 20 0 BHADRN C[C@H]1CCCC[C@@H]1Nc1ccnc(C(C)(C)C)n1 ZINC000673710123 488305096 /nfs/dbraw/zinc/30/50/96/488305096.db2.gz UGMBYHYJZSHNJP-RYUDHWBXSA-N 0 0 247.386 3.765 20 0 BHADRN C[C@@H]1CCCC[C@H]1Nc1ccnc(C(C)(C)C)n1 ZINC000673710124 488305101 /nfs/dbraw/zinc/30/51/01/488305101.db2.gz UGMBYHYJZSHNJP-VXGBXAGGSA-N 0 0 247.386 3.765 20 0 BHADRN Cc1noc(C)c1N(C)Cc1cc(C)ccc1C ZINC000673716763 488305679 /nfs/dbraw/zinc/30/56/79/488305679.db2.gz DCJPSNZPSGMWHF-UHFFFAOYSA-N 0 0 244.338 3.545 20 0 BHADRN FC(F)(F)[C@H](NCC1CCCCCC1)C1CC1 ZINC000673729617 488305940 /nfs/dbraw/zinc/30/59/40/488305940.db2.gz BRRKOGUXCVQPCS-GFCCVEGCSA-N 0 0 249.320 3.887 20 0 BHADRN FC(F)(F)[C@@H](NCC1CCCCCC1)C1CC1 ZINC000673729618 488305935 /nfs/dbraw/zinc/30/59/35/488305935.db2.gz BRRKOGUXCVQPCS-LBPRGKRZSA-N 0 0 249.320 3.887 20 0 BHADRN O=C([C@H]1CC12CCCC2)N1C2CCCC1CCC2 ZINC000673828323 488308684 /nfs/dbraw/zinc/30/86/84/488308684.db2.gz YPVZNMANKIIQPJ-JXQTWKCFSA-N 0 0 247.382 3.500 20 0 BHADRN O=C([C@@H]1CC12CCCC2)N1C2CCCC1CCC2 ZINC000673828327 488308677 /nfs/dbraw/zinc/30/86/77/488308677.db2.gz YPVZNMANKIIQPJ-RUXDESIVSA-N 0 0 247.382 3.500 20 0 BHADRN CCC[C@H](C)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000673830575 488309004 /nfs/dbraw/zinc/30/90/04/488309004.db2.gz GEZOVPTYFYCBKM-FUEXJSSKSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@@H](C)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000673830577 488308805 /nfs/dbraw/zinc/30/88/05/488308805.db2.gz GEZOVPTYFYCBKM-FVOPLDGLSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@H](C)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000673830578 488309013 /nfs/dbraw/zinc/30/90/13/488309013.db2.gz GEZOVPTYFYCBKM-RNZFLTOJSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@@H](C)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000673830579 488309160 /nfs/dbraw/zinc/30/91/60/488309160.db2.gz GEZOVPTYFYCBKM-TXNVCOODSA-N 0 0 249.329 3.534 20 0 BHADRN COCc1ccc(SCc2ccccn2)cc1 ZINC000673891211 488311679 /nfs/dbraw/zinc/31/16/79/488311679.db2.gz OMMGBQORUOTCPU-UHFFFAOYSA-N 0 0 245.347 3.520 20 0 BHADRN CCCCSc1ccc(COC)cc1 ZINC000673891217 488311575 /nfs/dbraw/zinc/31/15/75/488311575.db2.gz ORNKBYMSNVWWFS-UHFFFAOYSA-N 0 0 210.342 3.725 20 0 BHADRN COCc1ccc(SCC(C)C)cc1 ZINC000673891388 487979757 /nfs/dbraw/zinc/97/97/57/487979757.db2.gz QJTIJYZRQJQJRK-UHFFFAOYSA-N 0 0 210.342 3.581 20 0 BHADRN C[C@H](Sc1ccccc1O)c1ccncc1 ZINC000673891680 488311659 /nfs/dbraw/zinc/31/16/59/488311659.db2.gz VNDBZXGHANYYIM-JTQLQIEISA-N 0 0 231.320 3.641 20 0 BHADRN C[C@@H](Sc1ccccc1O)c1ccncc1 ZINC000673891686 488311815 /nfs/dbraw/zinc/31/18/15/488311815.db2.gz VNDBZXGHANYYIM-SNVBAGLBSA-N 0 0 231.320 3.641 20 0 BHADRN COCc1ccc(SCCC(C)C)cc1 ZINC000673892204 488311856 /nfs/dbraw/zinc/31/18/56/488311856.db2.gz WRZWKSIICPSESN-UHFFFAOYSA-N 0 0 224.369 3.971 20 0 BHADRN COCc1ccc(SCc2cccnc2)cc1 ZINC000673892342 488311859 /nfs/dbraw/zinc/31/18/59/488311859.db2.gz YKEHJCLCIBGSQP-UHFFFAOYSA-N 0 0 245.347 3.520 20 0 BHADRN COCc1ccc(SCc2ccncc2)cc1 ZINC000673892358 488311731 /nfs/dbraw/zinc/31/17/31/488311731.db2.gz YZKVFXKFFHMMOF-UHFFFAOYSA-N 0 0 245.347 3.520 20 0 BHADRN COCc1ccc(SC2CCCC2)cc1 ZINC000673892392 488311752 /nfs/dbraw/zinc/31/17/52/488311752.db2.gz ACPLJCVQLANGAR-UHFFFAOYSA-N 0 0 222.353 3.868 20 0 BHADRN COCc1ccc(SCC2CCC2)cc1 ZINC000673892595 488311981 /nfs/dbraw/zinc/31/19/81/488311981.db2.gz IHQRYPSSFUGNGU-UHFFFAOYSA-N 0 0 222.353 3.725 20 0 BHADRN CC[C@H](C)Sc1ccc(COC)cc1 ZINC000673893285 488311978 /nfs/dbraw/zinc/31/19/78/488311978.db2.gz FABFPUXTNXNFJJ-JTQLQIEISA-N 0 0 210.342 3.724 20 0 BHADRN CC[C@@H](C)Sc1ccc(COC)cc1 ZINC000673893286 488311728 /nfs/dbraw/zinc/31/17/28/488311728.db2.gz FABFPUXTNXNFJJ-SNVBAGLBSA-N 0 0 210.342 3.724 20 0 BHADRN FC(F)(F)CCOc1cccc2c1CCCC2 ZINC000673894772 488311588 /nfs/dbraw/zinc/31/15/88/488311588.db2.gz IPHFVSYTINLQPK-UHFFFAOYSA-N 0 0 244.256 3.897 20 0 BHADRN COCCCCCOc1cccc2c1CCCC2 ZINC000673895069 487472647 /nfs/dbraw/zinc/47/26/47/487472647.db2.gz NCBHCUMSERGUAC-UHFFFAOYSA-N 0 0 248.366 3.761 20 0 BHADRN CC[C@@H](NC(=O)[C@H](C)C1CC1)C1CCCCC1 ZINC000673900990 487473523 /nfs/dbraw/zinc/47/35/23/487473523.db2.gz NMWNAXXFUCSSBR-BXUZGUMPSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](NC(=O)[C@@H](C)C1CC1)C1CCCCC1 ZINC000673900993 487473501 /nfs/dbraw/zinc/47/35/01/487473501.db2.gz NMWNAXXFUCSSBR-FZMZJTMJSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](NC(=O)[C@H](C)C1CC1)C1CCCCC1 ZINC000673900995 487473490 /nfs/dbraw/zinc/47/34/90/487473490.db2.gz NMWNAXXFUCSSBR-RISCZKNCSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](NC(=O)[C@@H](C)C1CC1)C1CCCCC1 ZINC000673900996 487473537 /nfs/dbraw/zinc/47/35/37/487473537.db2.gz NMWNAXXFUCSSBR-SMDDNHRTSA-N 0 0 237.387 3.508 20 0 BHADRN CC1(c2nc(C3CCCCC3)no2)CCCC1 ZINC000673929702 487483326 /nfs/dbraw/zinc/48/33/26/487483326.db2.gz FIMIIVHOHKALEN-UHFFFAOYSA-N 0 0 234.343 3.949 20 0 BHADRN CCC(C)(C)c1nc(C2CCCCC2)no1 ZINC000673931108 487483315 /nfs/dbraw/zinc/48/33/15/487483315.db2.gz YWCTWTKECRZWPG-UHFFFAOYSA-N 0 0 222.332 3.805 20 0 BHADRN Cc1ccc(-c2noc(C3(C)CCCC3)n2)cc1 ZINC000673932030 487484150 /nfs/dbraw/zinc/48/41/50/487484150.db2.gz NWQXEQSWONUDMS-UHFFFAOYSA-N 0 0 242.322 3.877 20 0 BHADRN Cc1noc(C2(c3cccc(Cl)c3)CCC2)n1 ZINC000673932467 487484618 /nfs/dbraw/zinc/48/46/18/487484618.db2.gz WNPWISKVNMEJHB-UHFFFAOYSA-N 0 0 248.713 3.501 20 0 BHADRN CC(C)(C)CCC(=O)Nc1ncc(Cl)s1 ZINC000673937960 487485371 /nfs/dbraw/zinc/48/53/71/487485371.db2.gz JNVKRSFFZRQMQS-UHFFFAOYSA-N 0 0 246.763 3.561 20 0 BHADRN CCC(C)(C)CC(=O)Nc1ncc(Cl)s1 ZINC000673938538 487485911 /nfs/dbraw/zinc/48/59/11/487485911.db2.gz SBDNVUQFFKBWBU-UHFFFAOYSA-N 0 0 246.763 3.561 20 0 BHADRN CCC[C@@H](C)CC(=O)Nc1ncc(Cl)s1 ZINC000673939245 487485759 /nfs/dbraw/zinc/48/57/59/487485759.db2.gz IOSMMYKTUXKPNT-SSDOTTSWSA-N 0 0 246.763 3.561 20 0 BHADRN CCC[C@H](C)CC(=O)Nc1ncc(Cl)s1 ZINC000673939246 487486198 /nfs/dbraw/zinc/48/61/98/487486198.db2.gz IOSMMYKTUXKPNT-ZETCQYMHSA-N 0 0 246.763 3.561 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)CCC(C)(F)F ZINC000674003041 487494744 /nfs/dbraw/zinc/49/47/44/487494744.db2.gz ZVWJBMVPHZZQSH-LLVKDONJSA-N 0 0 249.345 3.897 20 0 BHADRN CCCC[C@H](CCC)NC(=O)CCC(C)(F)F ZINC000674003042 487495316 /nfs/dbraw/zinc/49/53/16/487495316.db2.gz ZVWJBMVPHZZQSH-NSHDSACASA-N 0 0 249.345 3.897 20 0 BHADRN Cc1cc(COc2cc(C)ccc2C(C)C)on1 ZINC000674005297 487496380 /nfs/dbraw/zinc/49/63/80/487496380.db2.gz XXLKTIZLGDURBL-UHFFFAOYSA-N 0 0 245.322 3.994 20 0 BHADRN Fc1cccc([C@H]2CCN2CCC(F)(F)F)c1 ZINC000674008862 487498219 /nfs/dbraw/zinc/49/82/19/487498219.db2.gz DKOYJMYIXPVNTK-LLVKDONJSA-N 0 0 247.235 3.525 20 0 BHADRN Fc1cccc([C@@H]2CCN2CCC(F)(F)F)c1 ZINC000674008863 487498451 /nfs/dbraw/zinc/49/84/51/487498451.db2.gz DKOYJMYIXPVNTK-NSHDSACASA-N 0 0 247.235 3.525 20 0 BHADRN CC[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000674014265 487501358 /nfs/dbraw/zinc/50/13/58/487501358.db2.gz FSQFHNKTARHCDM-BARDWOONSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000674014267 487501327 /nfs/dbraw/zinc/50/13/27/487501327.db2.gz FSQFHNKTARHCDM-LJISPDSOSA-N 0 0 249.398 3.508 20 0 BHADRN Cc1cccc(NC(=O)CCCC(C)(C)C)c1O ZINC000674016946 487502242 /nfs/dbraw/zinc/50/22/42/487502242.db2.gz HPOPAPMWRNUHHM-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN Cc1cccc(NC(=O)C[C@H](C)CC(C)C)c1O ZINC000674017986 488000491 /nfs/dbraw/zinc/00/04/91/488000491.db2.gz OQNIEAGWFKLDSJ-LLVKDONJSA-N 0 0 249.354 3.711 20 0 BHADRN Cc1cccc(NC(=O)C[C@@H](C)CC(C)C)c1O ZINC000674017989 488000378 /nfs/dbraw/zinc/00/03/78/488000378.db2.gz OQNIEAGWFKLDSJ-NSHDSACASA-N 0 0 249.354 3.711 20 0 BHADRN CC[C@H](CC(=O)Nc1cccc(C)c1O)C(C)C ZINC000674018454 487502789 /nfs/dbraw/zinc/50/27/89/487502789.db2.gz YNJGMRTWDYRJKK-GFCCVEGCSA-N 0 0 249.354 3.711 20 0 BHADRN CC[C@@H](CC(=O)Nc1cccc(C)c1O)C(C)C ZINC000674018455 487502150 /nfs/dbraw/zinc/50/21/50/487502150.db2.gz YNJGMRTWDYRJKK-LBPRGKRZSA-N 0 0 249.354 3.711 20 0 BHADRN CCC[C@@H](C)Nc1ncnc2cccc(C)c21 ZINC000674044027 487504000 /nfs/dbraw/zinc/50/40/00/487504000.db2.gz VRYAWMGNUWNAPY-LLVKDONJSA-N 0 0 229.327 3.539 20 0 BHADRN CCC[C@H](C)Nc1ncnc2cccc(C)c21 ZINC000674044029 487504099 /nfs/dbraw/zinc/50/40/99/487504099.db2.gz VRYAWMGNUWNAPY-NSHDSACASA-N 0 0 229.327 3.539 20 0 BHADRN CCCCC(=O)Nc1nc2cc(C)cc(C)c2o1 ZINC000674051168 487505335 /nfs/dbraw/zinc/50/53/35/487505335.db2.gz XYYUHWGMPABICX-UHFFFAOYSA-N 0 0 246.310 3.573 20 0 BHADRN CCCCCNc1ccc(C)c(NC(C)=O)c1C ZINC000674063129 487506188 /nfs/dbraw/zinc/50/61/88/487506188.db2.gz ASQRYDHTSORUHX-UHFFFAOYSA-N 0 0 248.370 3.864 20 0 BHADRN CC(C)(C)c1nccc(NC2(C)CCCC2)n1 ZINC000674064084 487506467 /nfs/dbraw/zinc/50/64/67/487506467.db2.gz QOZKIKUQTWDYIC-UHFFFAOYSA-N 0 0 233.359 3.519 20 0 BHADRN CCN(c1ccnc(C(C)(C)C)n1)C1CCCC1 ZINC000674064681 487507266 /nfs/dbraw/zinc/50/72/66/487507266.db2.gz OWQYWAWQBJRLOX-UHFFFAOYSA-N 0 0 247.386 3.543 20 0 BHADRN C[C@H]1CCCCN1c1nccc2sccc21 ZINC000674065489 487507554 /nfs/dbraw/zinc/50/75/54/487507554.db2.gz ZSAAONHMFSUUAZ-JTQLQIEISA-N 0 0 232.352 3.675 20 0 BHADRN C[C@@H]1CCCCN1c1nccc2sccc21 ZINC000674065491 487507388 /nfs/dbraw/zinc/50/73/88/487507388.db2.gz ZSAAONHMFSUUAZ-SNVBAGLBSA-N 0 0 232.352 3.675 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@H](C)C1CCCC1 ZINC000674076177 487509830 /nfs/dbraw/zinc/50/98/30/487509830.db2.gz AIFQCPMBRRNCRY-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@H](C)C1CCCC1 ZINC000674076178 487510212 /nfs/dbraw/zinc/51/02/12/487510212.db2.gz AIFQCPMBRRNCRY-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)C2CCCC2)cc1F ZINC000674076194 487510286 /nfs/dbraw/zinc/51/02/86/487510286.db2.gz BJOHTDUROWFXLA-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)C2CCCC2)cc1F ZINC000674076195 487509817 /nfs/dbraw/zinc/50/98/17/487509817.db2.gz BJOHTDUROWFXLA-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN O=C(CCC1CCC1)N(C1CC1)C1CCCCC1 ZINC000674076322 487505479 /nfs/dbraw/zinc/50/54/79/487505479.db2.gz JTHDIGREPZRCRX-UHFFFAOYSA-N 0 0 249.398 3.890 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@H](C)C1CCCC1 ZINC000674076650 488179169 /nfs/dbraw/zinc/17/91/69/488179169.db2.gz NCNKHNMTLRFMGB-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@@H](C)C1CCCC1 ZINC000674076654 488179639 /nfs/dbraw/zinc/17/96/39/488179639.db2.gz NCNKHNMTLRFMGB-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN C[C@@H](C(=O)NCC1CCCCC1)C1CCCC1 ZINC000674076969 487511156 /nfs/dbraw/zinc/51/11/56/487511156.db2.gz UJEGYTWTINNMLK-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H](C(=O)NCC1CCCCC1)C1CCCC1 ZINC000674076972 487511066 /nfs/dbraw/zinc/51/10/66/487511066.db2.gz UJEGYTWTINNMLK-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)C1CCCC1 ZINC000674077041 487511357 /nfs/dbraw/zinc/51/13/57/487511357.db2.gz WFBHVOIFKZFRKF-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)C1CCCC1 ZINC000674077042 487511115 /nfs/dbraw/zinc/51/11/15/487511115.db2.gz WFBHVOIFKZFRKF-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000674077043 487511330 /nfs/dbraw/zinc/51/13/30/487511330.db2.gz WFBHVOIFKZFRKF-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000674077044 487504853 /nfs/dbraw/zinc/50/48/53/487504853.db2.gz WFBHVOIFKZFRKF-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](C(=O)NC1CCCCCC1)C1CCCC1 ZINC000674077060 488184036 /nfs/dbraw/zinc/18/40/36/488184036.db2.gz XKBCIYBXYPVVAJ-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](C(=O)NC1CCCCCC1)C1CCCC1 ZINC000674077061 488184080 /nfs/dbraw/zinc/18/40/80/488184080.db2.gz XKBCIYBXYPVVAJ-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@H](C)C2CCCC2)c1 ZINC000674077728 487511422 /nfs/dbraw/zinc/51/14/22/487511422.db2.gz JUKKCIBWGCNOHW-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@H](C)C2CCCC2)c1 ZINC000674077729 487511471 /nfs/dbraw/zinc/51/14/71/487511471.db2.gz JUKKCIBWGCNOHW-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC000674077811 487511268 /nfs/dbraw/zinc/51/12/68/487511268.db2.gz AQRLZOILOWKGKF-CHWSQXEVSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC000674077817 487511263 /nfs/dbraw/zinc/51/12/63/487511263.db2.gz AQRLZOILOWKGKF-OLZOCXBDSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC000674077818 487511483 /nfs/dbraw/zinc/51/14/83/487511483.db2.gz AQRLZOILOWKGKF-QWHCGFSZSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC000674077819 487511419 /nfs/dbraw/zinc/51/14/19/487511419.db2.gz AQRLZOILOWKGKF-STQMWFEESA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](C(=O)NCCC1CCCC1)C1CCCC1 ZINC000674077853 487511026 /nfs/dbraw/zinc/51/10/26/487511026.db2.gz BCPCVOGSSAFMFE-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H](C(=O)NCCC1CCCC1)C1CCCC1 ZINC000674077854 487511317 /nfs/dbraw/zinc/51/13/17/487511317.db2.gz BCPCVOGSSAFMFE-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN CCCCN(C(=O)[C@H](C)C1CCCC1)C1CC1 ZINC000674078392 487482011 /nfs/dbraw/zinc/48/20/11/487482011.db2.gz AZADDDFEISWOSQ-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCN(C(=O)[C@@H](C)C1CCCC1)C1CC1 ZINC000674078395 487482055 /nfs/dbraw/zinc/48/20/55/487482055.db2.gz AZADDDFEISWOSQ-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](C)NC(=O)C/C=C/c1cccc(F)c1 ZINC000674078663 487511207 /nfs/dbraw/zinc/51/12/07/487511207.db2.gz IOPBNFWMWZQLSB-FZKGZDJFSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@H](C)NC(=O)C/C=C\c1cccc(F)c1 ZINC000674078664 487511408 /nfs/dbraw/zinc/51/14/08/487511408.db2.gz IOPBNFWMWZQLSB-JECSTDCCSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@@H](C)NC(=O)C/C=C\c1cccc(F)c1 ZINC000674078665 487510984 /nfs/dbraw/zinc/51/09/84/487510984.db2.gz IOPBNFWMWZQLSB-VVEJJEBESA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@H](C)NC(=O)C/C=C/c1cccc(F)c1 ZINC000674078666 487511133 /nfs/dbraw/zinc/51/11/33/487511133.db2.gz IOPBNFWMWZQLSB-ZCRIDZFUSA-N 0 0 249.329 3.534 20 0 BHADRN Cc1ccc(NC(=O)[C@H](C)C2CCCC2)c(F)c1 ZINC000674078955 487512483 /nfs/dbraw/zinc/51/24/83/487512483.db2.gz TUIIXAPJGZRIOV-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](C)C2CCCC2)c(F)c1 ZINC000674078957 487512145 /nfs/dbraw/zinc/51/21/45/487512145.db2.gz TUIIXAPJGZRIOV-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN C[C@@H](C(=O)NCCC1=CCCCC1)C1CCCC1 ZINC000674079496 487512538 /nfs/dbraw/zinc/51/25/38/487512538.db2.gz XFGMPFUYOLJMMV-CYBMUJFWSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@H](C(=O)NCCC1=CCCCC1)C1CCCC1 ZINC000674079500 487512355 /nfs/dbraw/zinc/51/23/55/487512355.db2.gz XFGMPFUYOLJMMV-ZDUSSCGKSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@@H](C(=O)N(C)[C@@H](C)C(C)(C)C)C1CCCC1 ZINC000674079981 487512192 /nfs/dbraw/zinc/51/21/92/487512192.db2.gz MQNBXGFNBJKOBX-NEPJUHHUSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](N(C)C(=O)[C@@H](C)C1CCCC1)C(C)(C)C ZINC000674079982 487502880 /nfs/dbraw/zinc/50/28/80/487502880.db2.gz MQNBXGFNBJKOBX-NWDGAFQWSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@H](C(=O)N(C)[C@@H](C)C(C)(C)C)C1CCCC1 ZINC000674079983 487502603 /nfs/dbraw/zinc/50/26/03/487502603.db2.gz MQNBXGFNBJKOBX-RYUDHWBXSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](C(=O)N(C)[C@H](C)C(C)(C)C)C1CCCC1 ZINC000674079990 487503558 /nfs/dbraw/zinc/50/35/58/487503558.db2.gz MQNBXGFNBJKOBX-VXGBXAGGSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](C(=O)N(C)C1CCCCC1)C1CCCC1 ZINC000674080537 487512604 /nfs/dbraw/zinc/51/26/04/487512604.db2.gz WKAXFHCSKIGRPE-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H](C(=O)N(C)C1CCCCC1)C1CCCC1 ZINC000674080538 487512227 /nfs/dbraw/zinc/51/22/27/487512227.db2.gz WKAXFHCSKIGRPE-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000674080736 487534438 /nfs/dbraw/zinc/53/44/38/487534438.db2.gz RVOSYGBXGBIIPK-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000674080737 487534466 /nfs/dbraw/zinc/53/44/66/487534466.db2.gz RVOSYGBXGBIIPK-DYEKYZERSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000674080738 487534364 /nfs/dbraw/zinc/53/43/64/487534364.db2.gz RVOSYGBXGBIIPK-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)C1CCCC1 ZINC000674080739 487534816 /nfs/dbraw/zinc/53/48/16/487534816.db2.gz RVOSYGBXGBIIPK-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](C(=O)N([C@@H](C)C1CC1)C1CC1)C1CCCC1 ZINC000674080909 487512498 /nfs/dbraw/zinc/51/24/98/487512498.db2.gz PKHSBZLFQSTYRR-NEPJUHHUSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@H](C1CC1)N(C(=O)[C@@H](C)C1CCCC1)C1CC1 ZINC000674080910 487512660 /nfs/dbraw/zinc/51/26/60/487512660.db2.gz PKHSBZLFQSTYRR-NWDGAFQWSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@H](C(=O)N([C@@H](C)C1CC1)C1CC1)C1CCCC1 ZINC000674080911 487512587 /nfs/dbraw/zinc/51/25/87/487512587.db2.gz PKHSBZLFQSTYRR-RYUDHWBXSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H](C(=O)N([C@H](C)C1CC1)C1CC1)C1CCCC1 ZINC000674080912 487512372 /nfs/dbraw/zinc/51/23/72/487512372.db2.gz PKHSBZLFQSTYRR-VXGBXAGGSA-N 0 0 249.398 3.602 20 0 BHADRN CCCN(CC(C)C)C(=O)[C@H](C)C1CCCC1 ZINC000674081013 487512238 /nfs/dbraw/zinc/51/22/38/487512238.db2.gz WARSWFVJWHCSKV-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCCN(CC(C)C)C(=O)[C@@H](C)C1CCCC1 ZINC000674081014 487512262 /nfs/dbraw/zinc/51/22/62/487512262.db2.gz WARSWFVJWHCSKV-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](C(=O)N(C)[C@@H](C)c1ccco1)C1CCCC1 ZINC000674081073 487536729 /nfs/dbraw/zinc/53/67/29/487536729.db2.gz XVBAPTVIJGJBJP-NEPJUHHUSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@H](c1ccco1)N(C)C(=O)[C@@H](C)C1CCCC1 ZINC000674081074 487536919 /nfs/dbraw/zinc/53/69/19/487536919.db2.gz XVBAPTVIJGJBJP-NWDGAFQWSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@H](C(=O)N(C)[C@@H](C)c1ccco1)C1CCCC1 ZINC000674081075 487536447 /nfs/dbraw/zinc/53/64/47/487536447.db2.gz XVBAPTVIJGJBJP-RYUDHWBXSA-N 0 0 249.354 3.625 20 0 BHADRN C[C@@H](C(=O)N(C)[C@H](C)c1ccco1)C1CCCC1 ZINC000674081076 487536927 /nfs/dbraw/zinc/53/69/27/487536927.db2.gz XVBAPTVIJGJBJP-VXGBXAGGSA-N 0 0 249.354 3.625 20 0 BHADRN CCN(C(=O)[C@H](C)C1CCCC1)C1CCCC1 ZINC000674083530 487514795 /nfs/dbraw/zinc/51/47/95/487514795.db2.gz ZXXSCUADOFBLMX-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)[C@@H](C)C1CCCC1)C1CCCC1 ZINC000674083532 487514354 /nfs/dbraw/zinc/51/43/54/487514354.db2.gz ZXXSCUADOFBLMX-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H](C(=O)N(C)c1ccc(F)cc1)C1CCCC1 ZINC000674084270 487514428 /nfs/dbraw/zinc/51/44/28/487514428.db2.gz REDJHJNCGGFTTR-LLVKDONJSA-N 0 0 249.329 3.615 20 0 BHADRN C[C@H](C(=O)N(C)c1ccc(F)cc1)C1CCCC1 ZINC000674084271 487514459 /nfs/dbraw/zinc/51/44/59/487514459.db2.gz REDJHJNCGGFTTR-NSHDSACASA-N 0 0 249.329 3.615 20 0 BHADRN C[C@@H](C(=O)NC1(C)CCCCC1)C1CCCC1 ZINC000674085296 487584424 /nfs/dbraw/zinc/58/44/24/487584424.db2.gz OTARWIHRJXTBRR-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](C(=O)NC1(C)CCCCC1)C1CCCC1 ZINC000674085297 487584127 /nfs/dbraw/zinc/58/41/27/487584127.db2.gz OTARWIHRJXTBRR-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC(C)(C)NC(=O)[C@H](C)C1CCCC1 ZINC000674085407 487514830 /nfs/dbraw/zinc/51/48/30/487514830.db2.gz CDBWXJADIINYOZ-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCCC(C)(C)NC(=O)[C@@H](C)C1CCCC1 ZINC000674085408 487514494 /nfs/dbraw/zinc/51/44/94/487514494.db2.gz CDBWXJADIINYOZ-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@@H](C)C1CCCC1 ZINC000674086832 487516053 /nfs/dbraw/zinc/51/60/53/487516053.db2.gz JZLQDBNKGAINGL-AAEUAGOBSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@H](C)C1CCCC1 ZINC000674086833 487515595 /nfs/dbraw/zinc/51/55/95/487515595.db2.gz JZLQDBNKGAINGL-DGCLKSJQSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](CC)NC(=O)[C@@H](C)C1CCCC1 ZINC000674086834 487515794 /nfs/dbraw/zinc/51/57/94/487515794.db2.gz JZLQDBNKGAINGL-WCQYABFASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](CC)NC(=O)[C@H](C)C1CCCC1 ZINC000674086835 487515600 /nfs/dbraw/zinc/51/56/00/487515600.db2.gz JZLQDBNKGAINGL-YPMHNXCESA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CN(C(=O)[C@H](C)C1CCCC1)C(C)C ZINC000674087877 487515880 /nfs/dbraw/zinc/51/58/80/487515880.db2.gz FGOQEKGIDRODFE-CYBMUJFWSA-N 0 0 239.403 3.706 20 0 BHADRN CC(C)CN(C(=O)[C@@H](C)C1CCCC1)C(C)C ZINC000674087878 487515977 /nfs/dbraw/zinc/51/59/77/487515977.db2.gz FGOQEKGIDRODFE-ZDUSSCGKSA-N 0 0 239.403 3.706 20 0 BHADRN C[C@@H](C(=O)NCC1(C)CCCC1)C1CCCC1 ZINC000674089170 487516756 /nfs/dbraw/zinc/51/67/56/487516756.db2.gz BZPIOTKBARQVHG-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H](C(=O)NCC1(C)CCCC1)C1CCCC1 ZINC000674089171 487517016 /nfs/dbraw/zinc/51/70/16/487517016.db2.gz BZPIOTKBARQVHG-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H](C(=O)N1CCC[C@H]1C1CCC1)C1CCCC1 ZINC000674089413 487516822 /nfs/dbraw/zinc/51/68/22/487516822.db2.gz OHPXOFCUBRXZQY-DOMZBBRYSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H](C(=O)N1CCC[C@@H]1C1CCC1)C1CCCC1 ZINC000674089414 487517005 /nfs/dbraw/zinc/51/70/05/487517005.db2.gz OHPXOFCUBRXZQY-IUODEOHRSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H](C(=O)N1CCC[C@@H]1C1CCC1)C1CCCC1 ZINC000674089416 487516770 /nfs/dbraw/zinc/51/67/70/487516770.db2.gz OHPXOFCUBRXZQY-SWLSCSKDSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H](C(=O)N1CCC[C@H]1C1CCC1)C1CCCC1 ZINC000674089417 487516660 /nfs/dbraw/zinc/51/66/60/487516660.db2.gz OHPXOFCUBRXZQY-WFASDCNBSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H](C(=O)N(C)c1ccccc1F)C1CCCC1 ZINC000674089634 487516985 /nfs/dbraw/zinc/51/69/85/487516985.db2.gz KFHASSQMYOQKAW-LLVKDONJSA-N 0 0 249.329 3.615 20 0 BHADRN C[C@H](C(=O)N(C)c1ccccc1F)C1CCCC1 ZINC000674089635 487516783 /nfs/dbraw/zinc/51/67/83/487516783.db2.gz KFHASSQMYOQKAW-NSHDSACASA-N 0 0 249.329 3.615 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@H](C)C2CCCC2)c1 ZINC000674090232 487516863 /nfs/dbraw/zinc/51/68/63/487516863.db2.gz QZONGVQGKYSNAY-CYBMUJFWSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1cccc(N(C)C(=O)[C@@H](C)C2CCCC2)c1 ZINC000674090238 487516833 /nfs/dbraw/zinc/51/68/33/487516833.db2.gz QZONGVQGKYSNAY-ZDUSSCGKSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1cc(NC(=O)[C@H](C)C2CCCC2)ccc1F ZINC000674090258 487516672 /nfs/dbraw/zinc/51/66/72/487516672.db2.gz XCKWBGJQSAHSJR-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(NC(=O)[C@@H](C)C2CCCC2)ccc1F ZINC000674090259 487516998 /nfs/dbraw/zinc/51/69/98/487516998.db2.gz XCKWBGJQSAHSJR-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN C[C@H](C(=O)N[C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000674090663 487516919 /nfs/dbraw/zinc/51/69/19/487516919.db2.gz OZSJSWKCTYSCED-OBJOEFQTSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000674090665 487516937 /nfs/dbraw/zinc/51/69/37/487516937.db2.gz OZSJSWKCTYSCED-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(C)(CC)NC(=O)[C@H](C)C1CCCC1 ZINC000674093168 487517926 /nfs/dbraw/zinc/51/79/26/487517926.db2.gz WHQDOWTZKOJFIM-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC(C)(CC)NC(=O)[C@@H](C)C1CCCC1 ZINC000674093169 487517935 /nfs/dbraw/zinc/51/79/35/487517935.db2.gz WHQDOWTZKOJFIM-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](C(=O)N1CCCCC[C@H]1C)C1CCCC1 ZINC000674094823 487519197 /nfs/dbraw/zinc/51/91/97/487519197.db2.gz YHZJUBWZXAMXQW-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H](C(=O)N1CCCCC[C@H]1C)C1CCCC1 ZINC000674094824 487519026 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241.325 3.595 20 0 BHADRN CCCC1(C(=O)N2C3CCCC2CCC3)CCC1 ZINC000675257387 487684341 /nfs/dbraw/zinc/68/43/41/487684341.db2.gz XEDUEKKPFQJIEQ-UHFFFAOYSA-N 0 0 249.398 3.890 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CC23CCC3)cc1Cl ZINC000675282610 487685796 /nfs/dbraw/zinc/68/57/96/487685796.db2.gz DPUDLFLYERSTMW-LLVKDONJSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1Cl ZINC000675282611 487685945 /nfs/dbraw/zinc/68/59/45/487685945.db2.gz DPUDLFLYERSTMW-NSHDSACASA-N 0 0 249.741 3.777 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC12CCC2 ZINC000675282748 487685825 /nfs/dbraw/zinc/68/58/25/487685825.db2.gz LLTQCFVXBFDOHT-JTQLQIEISA-N 0 0 249.741 3.777 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)[C@H]1CC12CCC2 ZINC000675282749 487686154 /nfs/dbraw/zinc/68/61/54/487686154.db2.gz LLTQCFVXBFDOHT-SNVBAGLBSA-N 0 0 249.741 3.777 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@@H]2CC23CCC3)cc1 ZINC000675284685 487686976 /nfs/dbraw/zinc/68/69/76/487686976.db2.gz JCUJPAQPBYGMNB-AWEZNQCLSA-N 0 0 243.350 3.939 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@H]2CC23CCC3)cc1 ZINC000675284686 487687292 /nfs/dbraw/zinc/68/72/92/487687292.db2.gz JCUJPAQPBYGMNB-CQSZACIVSA-N 0 0 243.350 3.939 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2CC23CCC3)c(Cl)c1 ZINC000675285362 487687976 /nfs/dbraw/zinc/68/79/76/487687976.db2.gz QNEIAHGUEMHXTK-JTQLQIEISA-N 0 0 249.741 3.777 20 0 BHADRN Cc1ccc(NC(=O)[C@H]2CC23CCC3)c(Cl)c1 ZINC000675285363 487688465 /nfs/dbraw/zinc/68/84/65/487688465.db2.gz QNEIAHGUEMHXTK-SNVBAGLBSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CC12CCC2 ZINC000675285548 487476282 /nfs/dbraw/zinc/47/62/82/487476282.db2.gz XZXSNGCBLLQJOG-LLVKDONJSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC12CCC2 ZINC000675285549 487476218 /nfs/dbraw/zinc/47/62/18/487476218.db2.gz XZXSNGCBLLQJOG-NSHDSACASA-N 0 0 249.741 3.777 20 0 BHADRN CSc1cccc(NC(=O)[C@H]2CC23CCC3)c1 ZINC000675285931 487687934 /nfs/dbraw/zinc/68/79/34/487687934.db2.gz DOQPOQGKNZLEJP-GFCCVEGCSA-N 0 0 247.363 3.537 20 0 BHADRN CSc1cccc(NC(=O)[C@@H]2CC23CCC3)c1 ZINC000675285932 487688244 /nfs/dbraw/zinc/68/82/44/487688244.db2.gz DOQPOQGKNZLEJP-LBPRGKRZSA-N 0 0 247.363 3.537 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@@H]2CC23CCC3)c1 ZINC000675286338 487688260 /nfs/dbraw/zinc/68/82/60/487688260.db2.gz UIDFJWZZMRXQSC-AWEZNQCLSA-N 0 0 243.350 3.939 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@H]2CC23CCC3)c1 ZINC000675286339 487688352 /nfs/dbraw/zinc/68/83/52/487688352.db2.gz UIDFJWZZMRXQSC-CQSZACIVSA-N 0 0 243.350 3.939 20 0 BHADRN Cc1cc(Cl)ccc1NC(=O)[C@H]1CC12CCC2 ZINC000675286658 487689454 /nfs/dbraw/zinc/68/94/54/487689454.db2.gz BZMHEUZDUAJUNO-LLVKDONJSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC12CCC2 ZINC000675286659 487689230 /nfs/dbraw/zinc/68/92/30/487689230.db2.gz BZMHEUZDUAJUNO-NSHDSACASA-N 0 0 249.741 3.777 20 0 BHADRN CSc1ccc(NC(=O)[C@H]2CC23CCC3)cc1 ZINC000675286692 487689553 /nfs/dbraw/zinc/68/95/53/487689553.db2.gz DJKIOANANFWLSP-GFCCVEGCSA-N 0 0 247.363 3.537 20 0 BHADRN CSc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1 ZINC000675286693 487689377 /nfs/dbraw/zinc/68/93/77/487689377.db2.gz DJKIOANANFWLSP-LBPRGKRZSA-N 0 0 247.363 3.537 20 0 BHADRN Cc1ccnc(N[C@@H]2C[C@]2(C)c2ccccc2)c1 ZINC000675287791 487689364 /nfs/dbraw/zinc/68/93/64/487689364.db2.gz NNBBJXAXHNRNFQ-GDBMZVCRSA-N 0 0 238.334 3.532 20 0 BHADRN Cc1ccnc(N[C@H]2C[C@]2(C)c2ccccc2)c1 ZINC000675287792 487689666 /nfs/dbraw/zinc/68/96/66/487689666.db2.gz NNBBJXAXHNRNFQ-GOEBONIOSA-N 0 0 238.334 3.532 20 0 BHADRN Cc1ccnc(N[C@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000675287793 487688866 /nfs/dbraw/zinc/68/88/66/487688866.db2.gz NNBBJXAXHNRNFQ-HOCLYGCPSA-N 0 0 238.334 3.532 20 0 BHADRN Cc1ccnc(N[C@@H]2C[C@@]2(C)c2ccccc2)c1 ZINC000675287794 487689587 /nfs/dbraw/zinc/68/95/87/487689587.db2.gz NNBBJXAXHNRNFQ-ZBFHGGJFSA-N 0 0 238.334 3.532 20 0 BHADRN CSc1ccccc1NC(=O)[C@@H]1CC12CCC2 ZINC000675288281 487690460 /nfs/dbraw/zinc/69/04/60/487690460.db2.gz CXMNCVMYIVKZHH-JTQLQIEISA-N 0 0 247.363 3.537 20 0 BHADRN CSc1ccccc1NC(=O)[C@H]1CC12CCC2 ZINC000675288282 487690208 /nfs/dbraw/zinc/69/02/08/487690208.db2.gz CXMNCVMYIVKZHH-SNVBAGLBSA-N 0 0 247.363 3.537 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)[C@H]1CC12CCC2 ZINC000675289869 487690454 /nfs/dbraw/zinc/69/04/54/487690454.db2.gz IAXXDNYLUZTTLN-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CC12CCC2 ZINC000675289870 487690510 /nfs/dbraw/zinc/69/05/10/487690510.db2.gz IAXXDNYLUZTTLN-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@H]1CC12CCC2 ZINC000675289871 487491478 /nfs/dbraw/zinc/49/14/78/487491478.db2.gz IAXXDNYLUZTTLN-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)[C@@H]1CC12CCC2 ZINC000675289872 487491374 /nfs/dbraw/zinc/49/13/74/487491374.db2.gz IAXXDNYLUZTTLN-STQMWFEESA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)CC(C)(C)NC(=O)[C@H]1CC12CCC2 ZINC000675290056 487690193 /nfs/dbraw/zinc/69/01/93/487690193.db2.gz ORMKTEJWJZFXPI-LLVKDONJSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CC12CCC2 ZINC000675290057 487690388 /nfs/dbraw/zinc/69/03/88/487690388.db2.gz ORMKTEJWJZFXPI-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@H]1CC12CCC2 ZINC000675290162 487690218 /nfs/dbraw/zinc/69/02/18/487690218.db2.gz SQELDIYMGCWFTH-CYBMUJFWSA-N 0 0 243.350 3.939 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@@H]1CC12CCC2 ZINC000675290163 487690419 /nfs/dbraw/zinc/69/04/19/487690419.db2.gz SQELDIYMGCWFTH-ZDUSSCGKSA-N 0 0 243.350 3.939 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)[C@H]1CC12CCC2 ZINC000675290456 487497858 /nfs/dbraw/zinc/49/78/58/487497858.db2.gz AEVOTSPRTQBZDX-CHWSQXEVSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)[C@@H]1CC12CCC2 ZINC000675290457 487497766 /nfs/dbraw/zinc/49/77/66/487497766.db2.gz AEVOTSPRTQBZDX-OLZOCXBDSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@H]1CC12CCC2 ZINC000675290458 487497911 /nfs/dbraw/zinc/49/79/11/487497911.db2.gz AEVOTSPRTQBZDX-QWHCGFSZSA-N 0 0 237.387 3.509 20 0 BHADRN CCCC[C@H](CC)CNC(=O)[C@@H]1CC12CCC2 ZINC000675290459 487497692 /nfs/dbraw/zinc/49/76/92/487497692.db2.gz AEVOTSPRTQBZDX-STQMWFEESA-N 0 0 237.387 3.509 20 0 BHADRN Cc1ccc(-c2noc([C@H]3CC34CCC4)n2)cc1 ZINC000675293377 487692653 /nfs/dbraw/zinc/69/26/53/487692653.db2.gz JVQTZJYTATWWFQ-GFCCVEGCSA-N 0 0 240.306 3.703 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3CC34CCC4)n2)cc1 ZINC000675293378 487504923 /nfs/dbraw/zinc/50/49/23/487504923.db2.gz JVQTZJYTATWWFQ-LBPRGKRZSA-N 0 0 240.306 3.703 20 0 BHADRN C1[C@H](c2nc(C3CCCCC3)no2)C12CCC2 ZINC000675293435 487692937 /nfs/dbraw/zinc/69/29/37/487692937.db2.gz MXYVNLFXHVTTBL-LLVKDONJSA-N 0 0 232.327 3.775 20 0 BHADRN C1[C@@H](c2nc(C3CCCCC3)no2)C12CCC2 ZINC000675293436 487506002 /nfs/dbraw/zinc/50/60/02/487506002.db2.gz MXYVNLFXHVTTBL-NSHDSACASA-N 0 0 232.327 3.775 20 0 BHADRN Fc1ccc(-c2noc([C@H]3CC34CCC4)n2)cc1 ZINC000675293595 487692735 /nfs/dbraw/zinc/69/27/35/487692735.db2.gz UOGMVEKKWABEHG-LLVKDONJSA-N 0 0 244.269 3.533 20 0 BHADRN Fc1ccc(-c2noc([C@@H]3CC34CCC4)n2)cc1 ZINC000675293596 487692471 /nfs/dbraw/zinc/69/24/71/487692471.db2.gz UOGMVEKKWABEHG-NSHDSACASA-N 0 0 244.269 3.533 20 0 BHADRN Fc1cccc(-c2noc([C@H]3CC34CCC4)n2)c1 ZINC000675293611 487692669 /nfs/dbraw/zinc/69/26/69/487692669.db2.gz VBGHMSZMVIEWRT-LLVKDONJSA-N 0 0 244.269 3.533 20 0 BHADRN Fc1cccc(-c2noc([C@@H]3CC34CCC4)n2)c1 ZINC000675293612 487692911 /nfs/dbraw/zinc/69/29/11/487692911.db2.gz VBGHMSZMVIEWRT-NSHDSACASA-N 0 0 244.269 3.533 20 0 BHADRN CCC1CCC(N(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC000675293697 487692428 /nfs/dbraw/zinc/69/24/28/487692428.db2.gz YUPOAOKFMVJKAF-JXQTWKCFSA-N 0 0 249.398 3.604 20 0 BHADRN CCC1CCC(N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000675293698 487692570 /nfs/dbraw/zinc/69/25/70/487692570.db2.gz YUPOAOKFMVJKAF-RUXDESIVSA-N 0 0 249.398 3.604 20 0 BHADRN Cc1ccccc1-c1noc([C@H]2CC23CCC3)n1 ZINC000675293729 487692385 /nfs/dbraw/zinc/69/23/85/487692385.db2.gz ZSTZMNGSHKFKSV-GFCCVEGCSA-N 0 0 240.306 3.703 20 0 BHADRN Cc1ccccc1-c1noc([C@@H]2CC23CCC3)n1 ZINC000675293730 487692209 /nfs/dbraw/zinc/69/22/09/487692209.db2.gz ZSTZMNGSHKFKSV-LBPRGKRZSA-N 0 0 240.306 3.703 20 0 BHADRN CCN(C(=O)[C@@H]1CC12CCC2)c1cccc(C)c1 ZINC000675293979 487693657 /nfs/dbraw/zinc/69/36/57/487693657.db2.gz FQVFFDRZJOCLAS-AWEZNQCLSA-N 0 0 243.350 3.538 20 0 BHADRN CCN(C(=O)[C@H]1CC12CCC2)c1cccc(C)c1 ZINC000675293980 487694029 /nfs/dbraw/zinc/69/40/29/487694029.db2.gz FQVFFDRZJOCLAS-CQSZACIVSA-N 0 0 243.350 3.538 20 0 BHADRN CCCc1ccccc1NC(=O)[C@H]1CC12CCC2 ZINC000675294848 487694045 /nfs/dbraw/zinc/69/40/45/487694045.db2.gz SUIBBQONTLMQJM-CYBMUJFWSA-N 0 0 243.350 3.768 20 0 BHADRN CCCc1ccccc1NC(=O)[C@@H]1CC12CCC2 ZINC000675294849 487693885 /nfs/dbraw/zinc/69/38/85/487693885.db2.gz SUIBBQONTLMQJM-ZDUSSCGKSA-N 0 0 243.350 3.768 20 0 BHADRN O=C(NCCCC1CCCCC1)[C@@H]1CC12CCC2 ZINC000675295220 487693898 /nfs/dbraw/zinc/69/38/98/487693898.db2.gz CJPXINMFNLZBGK-AWEZNQCLSA-N 0 0 249.398 3.653 20 0 BHADRN O=C(NCCCC1CCCCC1)[C@H]1CC12CCC2 ZINC000675295221 487694001 /nfs/dbraw/zinc/69/40/01/487694001.db2.gz CJPXINMFNLZBGK-CQSZACIVSA-N 0 0 249.398 3.653 20 0 BHADRN Fc1ccc2ccc(NC3CC=CC3)nc2c1 ZINC000675296038 487694846 /nfs/dbraw/zinc/69/48/46/487694846.db2.gz MBWHUABDTFXGPR-UHFFFAOYSA-N 0 0 228.270 3.504 20 0 BHADRN CCCCN(CCCC)C(=O)[C@H]1CC12CCC2 ZINC000675296068 487694947 /nfs/dbraw/zinc/69/49/47/487694947.db2.gz PLDCMJOSUJRXHW-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCN(CCCC)C(=O)[C@@H]1CC12CCC2 ZINC000675296069 487694754 /nfs/dbraw/zinc/69/47/54/487694754.db2.gz PLDCMJOSUJRXHW-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CCN(C(=O)[C@H]1CC12CCC2)c1ccccc1C ZINC000675298811 487523378 /nfs/dbraw/zinc/52/33/78/487523378.db2.gz BWDCAQAHEDQSRH-CYBMUJFWSA-N 0 0 243.350 3.538 20 0 BHADRN CCN(C(=O)[C@@H]1CC12CCC2)c1ccccc1C ZINC000675298812 487523390 /nfs/dbraw/zinc/52/33/90/487523390.db2.gz BWDCAQAHEDQSRH-ZDUSSCGKSA-N 0 0 243.350 3.538 20 0 BHADRN CCC1CCC(CNC(=O)[C@H]2CC23CCC3)CC1 ZINC000675302985 487698187 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249.398 3.604 20 0 BHADRN CC(C)CC[C@H]1CCCN1C(=O)[C@@H]1CC12CCC2 ZINC000676065935 487807295 /nfs/dbraw/zinc/80/72/95/487807295.db2.gz PDBLAMVXORFZOZ-KGLIPLIRSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)CC[C@@H]1CCCN1C(=O)[C@H]1CC12CCC2 ZINC000676065936 487807327 /nfs/dbraw/zinc/80/73/27/487807327.db2.gz PDBLAMVXORFZOZ-UONOGXRCSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)CC[C@H]1CCCN1C(=O)[C@H]1CC12CCC2 ZINC000676065937 487806357 /nfs/dbraw/zinc/80/63/57/487806357.db2.gz PDBLAMVXORFZOZ-ZIAGYGMSSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H](C(=O)N[C@@H]1CC2CCC1CC2)C1CCCC1 ZINC000676072375 487808948 /nfs/dbraw/zinc/80/89/48/487808948.db2.gz GTIFDNHXNTUKDN-BNQIPGGESA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H](C(=O)N[C@H]1CC2CCC1CC2)C1CCCC1 ZINC000676072376 487808922 /nfs/dbraw/zinc/80/89/22/487808922.db2.gz GTIFDNHXNTUKDN-DGLGBPBLSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](C(=O)N[C@@H]1CC2CCC1CC2)C1CCCC1 ZINC000676072377 487809263 /nfs/dbraw/zinc/80/92/63/487809263.db2.gz GTIFDNHXNTUKDN-TYVCDUJCSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](C(=O)N[C@H]1CC2CCC1CC2)C1CCCC1 ZINC000676072378 487808865 /nfs/dbraw/zinc/80/88/65/487808865.db2.gz GTIFDNHXNTUKDN-WZKVNAIUSA-N 0 0 249.398 3.508 20 0 BHADRN CCC[C@@H](C)Nc1ncnc2c(C)cccc12 ZINC000676076688 487810558 /nfs/dbraw/zinc/81/05/58/487810558.db2.gz BWFLMIHVAKEEAH-LLVKDONJSA-N 0 0 229.327 3.539 20 0 BHADRN CCC[C@H](C)Nc1ncnc2c(C)cccc12 ZINC000676076689 487810425 /nfs/dbraw/zinc/81/04/25/487810425.db2.gz BWFLMIHVAKEEAH-NSHDSACASA-N 0 0 229.327 3.539 20 0 BHADRN CCC[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC000676085867 487813304 /nfs/dbraw/zinc/81/33/04/487813304.db2.gz SURIWWAUBJCJSS-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC000676085872 487812462 /nfs/dbraw/zinc/81/24/62/487812462.db2.gz SURIWWAUBJCJSS-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCN(C)C(=O)C1CCC(C)(C)CC1 ZINC000676109818 487814575 /nfs/dbraw/zinc/81/45/75/487814575.db2.gz HLFHPIRUCIKHCG-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN 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/nfs/dbraw/zinc/82/57/07/487825707.db2.gz XOISMWAVKXWLNA-UHFFFAOYSA-N 0 0 237.318 3.967 20 0 BHADRN Cc1cc(OC[C@H]2CCCOC2)ccc1C(C)C ZINC000676235489 487564026 /nfs/dbraw/zinc/56/40/26/487564026.db2.gz IWEXWXHFMWNOKC-AWEZNQCLSA-N 0 0 248.366 3.924 20 0 BHADRN Cc1cc(OC[C@@H]2CCCOC2)ccc1C(C)C ZINC000676235490 487563980 /nfs/dbraw/zinc/56/39/80/487563980.db2.gz IWEXWXHFMWNOKC-CQSZACIVSA-N 0 0 248.366 3.924 20 0 BHADRN c1cc(SC[C@@H]2CCCOC2)cc2c1CCC2 ZINC000676235685 487826908 /nfs/dbraw/zinc/82/69/08/487826908.db2.gz HGLSLTJWNQUUDR-GFCCVEGCSA-N 0 0 248.391 3.694 20 0 BHADRN c1cc(SC[C@H]2CCCOC2)cc2c1CCC2 ZINC000676235686 487826943 /nfs/dbraw/zinc/82/69/43/487826943.db2.gz HGLSLTJWNQUUDR-LBPRGKRZSA-N 0 0 248.391 3.694 20 0 BHADRN CC(C)c1cccc(OC[C@@H]2CCCOC2)c1 ZINC000676235837 487827064 /nfs/dbraw/zinc/82/70/64/487827064.db2.gz OUQLOCRCVKMUAP-CYBMUJFWSA-N 0 0 234.339 3.615 20 0 BHADRN CC(C)c1cccc(OC[C@H]2CCCOC2)c1 ZINC000676235838 487826623 /nfs/dbraw/zinc/82/66/23/487826623.db2.gz 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BHADRN CCc1ccccc1C(=O)NCCCC(C)(C)C ZINC000676276425 487832574 /nfs/dbraw/zinc/83/25/74/487832574.db2.gz HVYPHUAMJCSMOV-UHFFFAOYSA-N 0 0 247.382 3.805 20 0 BHADRN Cc1ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cn1 ZINC000676284611 487833033 /nfs/dbraw/zinc/83/30/33/487833033.db2.gz DOQUVAIVHSJLDI-LLVKDONJSA-N 0 0 248.370 3.791 20 0 BHADRN Cc1ccc(NC(=O)C[C@H](C)CC(C)(C)C)cn1 ZINC000676284612 487833015 /nfs/dbraw/zinc/83/30/15/487833015.db2.gz DOQUVAIVHSJLDI-NSHDSACASA-N 0 0 248.370 3.791 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1ccc(C)nc1 ZINC000676284822 487832328 /nfs/dbraw/zinc/83/23/28/487832328.db2.gz QSHPRMUBVPYYGW-UHFFFAOYSA-N 0 0 234.343 3.545 20 0 BHADRN CCCC(C)(C)NC(=O)NC(C(C)C)C(C)C ZINC000676300616 487833611 /nfs/dbraw/zinc/83/36/11/487833611.db2.gz CPULZEASZIIKHD-UHFFFAOYSA-N 0 0 242.407 3.545 20 0 BHADRN CCC(C)(CC)NC(=O)NC(C(C)C)C(C)C ZINC000676301686 487834455 /nfs/dbraw/zinc/83/44/55/487834455.db2.gz GBZDEJWRZXJRHQ-UHFFFAOYSA-N 0 0 242.407 3.545 20 0 BHADRN Cc1cc(F)cc(NC(=O)CCC(C)(F)F)c1 ZINC000676314158 487835476 /nfs/dbraw/zinc/83/54/76/487835476.db2.gz ILLLBRDTPTYMTQ-UHFFFAOYSA-N 0 0 245.244 3.508 20 0 BHADRN Cc1cc(F)cc(NCCCOC(C)(C)C)c1 ZINC000676314258 487835786 /nfs/dbraw/zinc/83/57/86/487835786.db2.gz PGZUSCZCUIKKBL-UHFFFAOYSA-N 0 0 239.334 3.751 20 0 BHADRN Cc1cc(F)cc(NC(=O)[C@H](C)C2CCCC2)c1 ZINC000676314598 487835790 /nfs/dbraw/zinc/83/57/90/487835790.db2.gz ZCWMWKYIVWFFAL-LLVKDONJSA-N 0 0 249.329 3.899 20 0 BHADRN Cc1cc(F)cc(NC(=O)[C@@H](C)C2CCCC2)c1 ZINC000676314601 487836155 /nfs/dbraw/zinc/83/61/55/487836155.db2.gz ZCWMWKYIVWFFAL-NSHDSACASA-N 0 0 249.329 3.899 20 0 BHADRN CCCCCc1ccc(NCc2cn[nH]c2)cc1 ZINC000676315398 487835997 /nfs/dbraw/zinc/83/59/97/487835997.db2.gz CASPGZYBDOSJLS-UHFFFAOYSA-N 0 0 243.354 3.755 20 0 BHADRN Cc1cc(C)cc(COc2cccnc2C)c1 ZINC000676317333 487836921 /nfs/dbraw/zinc/83/69/21/487836921.db2.gz CXFAROOMPMYYCI-UHFFFAOYSA-N 0 0 227.307 3.586 20 0 BHADRN CC(C)CCc1ccccc1NCc1cn[nH]c1 ZINC000676321846 487836584 /nfs/dbraw/zinc/83/65/84/487836584.db2.gz OJUBUXLOSJJMSQ-UHFFFAOYSA-N 0 0 243.354 3.610 20 0 BHADRN CC(C)CCc1ccc(NCc2cn[nH]c2)cc1 ZINC000676321973 487836823 /nfs/dbraw/zinc/83/68/23/487836823.db2.gz QGPBRXWOYTXTOO-UHFFFAOYSA-N 0 0 243.354 3.610 20 0 BHADRN CC(C)N(C)c1cccc(NCC(C)(C)C)c1 ZINC000676323312 487837008 /nfs/dbraw/zinc/83/70/08/487837008.db2.gz OGFNTSWYJJVJFO-UHFFFAOYSA-N 0 0 234.387 3.989 20 0 BHADRN CC(C)n1ncc2cc(NC3CCCC3)ccc21 ZINC000676324180 487837681 /nfs/dbraw/zinc/83/76/81/487837681.db2.gz HRUMUINJYCUZPF-UHFFFAOYSA-N 0 0 243.354 3.972 20 0 BHADRN CC(C)Sc1ccccc1NCc1cn[nH]c1 ZINC000676326147 487837652 /nfs/dbraw/zinc/83/76/52/487837652.db2.gz UBGXVAPEBVXEIO-UHFFFAOYSA-N 0 0 247.367 3.522 20 0 BHADRN CC(C)C(NC(=O)CCC1CCCC1)C(C)C ZINC000676328341 487837306 /nfs/dbraw/zinc/83/73/06/487837306.db2.gz BJLGCVYDUMYUKM-UHFFFAOYSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C(NC(=O)C1CCCCCC1)C(C)C ZINC000676328576 487837401 /nfs/dbraw/zinc/83/74/01/487837401.db2.gz GAIRZZDNVKFRCX-UHFFFAOYSA-N 0 0 239.403 3.754 20 0 BHADRN CC(C)C(NC(=O)[C@@H]1CCC[C@@H](C)C1)C(C)C ZINC000676329398 487838274 /nfs/dbraw/zinc/83/82/74/487838274.db2.gz TZGRKAAHJHPICK-CHWSQXEVSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)[C@H]1CCC[C@@H](C)C1)C(C)C ZINC000676329399 487838394 /nfs/dbraw/zinc/83/83/94/487838394.db2.gz TZGRKAAHJHPICK-OLZOCXBDSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)[C@@H]1CCC[C@H](C)C1)C(C)C ZINC000676329400 487838438 /nfs/dbraw/zinc/83/84/38/487838438.db2.gz TZGRKAAHJHPICK-QWHCGFSZSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)[C@H]1CCC[C@H](C)C1)C(C)C ZINC000676329401 487838085 /nfs/dbraw/zinc/83/80/85/487838085.db2.gz TZGRKAAHJHPICK-STQMWFEESA-N 0 0 239.403 3.610 20 0 BHADRN Cc1cccc(C(=O)NC(C(C)C)C(C)C)c1C ZINC000676329819 487838197 /nfs/dbraw/zinc/83/81/97/487838197.db2.gz ICVWZPHFXKAOBD-UHFFFAOYSA-N 0 0 247.382 3.714 20 0 BHADRN CC(C)C(NC(=O)C[C@@H]1CC[C@@H](C)C1)C(C)C ZINC000676329900 487838359 /nfs/dbraw/zinc/83/83/59/487838359.db2.gz LACAXYOELINLOX-CHWSQXEVSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)C[C@H]1CC[C@@H](C)C1)C(C)C ZINC000676329901 487838137 /nfs/dbraw/zinc/83/81/37/487838137.db2.gz LACAXYOELINLOX-OLZOCXBDSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)C[C@@H]1CC[C@H](C)C1)C(C)C ZINC000676329902 487838385 /nfs/dbraw/zinc/83/83/85/487838385.db2.gz LACAXYOELINLOX-QWHCGFSZSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)C[C@H]1CC[C@H](C)C1)C(C)C ZINC000676329903 487838191 /nfs/dbraw/zinc/83/81/91/487838191.db2.gz LACAXYOELINLOX-STQMWFEESA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)[C@H](C)C1CCCC1)C(C)C ZINC000676330085 487838295 /nfs/dbraw/zinc/83/82/95/487838295.db2.gz OFPVJLSVDXCQHL-GFCCVEGCSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)[C@@H](C)C1CCCC1)C(C)C ZINC000676330086 487838039 /nfs/dbraw/zinc/83/80/39/487838039.db2.gz OFPVJLSVDXCQHL-LBPRGKRZSA-N 0 0 239.403 3.610 20 0 BHADRN CCc1ccccc1C(=O)NC(C(C)C)C(C)C ZINC000676330291 487838324 /nfs/dbraw/zinc/83/83/24/487838324.db2.gz ARHSLDFRJRETFQ-UHFFFAOYSA-N 0 0 247.382 3.659 20 0 BHADRN CCC(CC)CC(=O)NC(C(C)C)C(C)C ZINC000676330351 487838202 /nfs/dbraw/zinc/83/82/02/487838202.db2.gz UDHWDBRRHOVZEW-UHFFFAOYSA-N 0 0 227.392 3.610 20 0 BHADRN CCC(C)(C)CC(=O)NC(C(C)C)C(C)C ZINC000676330775 487839346 /nfs/dbraw/zinc/83/93/46/487839346.db2.gz SKKMSOPPWJCERF-UHFFFAOYSA-N 0 0 227.392 3.610 20 0 BHADRN CC(C)C(NC(=O)CC1=CCCCC1)C(C)C ZINC000676330827 487839085 /nfs/dbraw/zinc/83/90/85/487839085.db2.gz JIKXPESOXATNDF-UHFFFAOYSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)C(NC(=O)CC1CCCCC1)C(C)C ZINC000676331097 487838890 /nfs/dbraw/zinc/83/88/90/487838890.db2.gz PLRLSLHEEHSAKD-UHFFFAOYSA-N 0 0 239.403 3.754 20 0 BHADRN CCC[C@@H](C)CC(=O)NC(C(C)C)C(C)C ZINC000676331179 487839073 /nfs/dbraw/zinc/83/90/73/487839073.db2.gz TTWVONWDZSHUOA-GFCCVEGCSA-N 0 0 227.392 3.610 20 0 BHADRN CCC[C@H](C)CC(=O)NC(C(C)C)C(C)C ZINC000676331180 487838819 /nfs/dbraw/zinc/83/88/19/487838819.db2.gz TTWVONWDZSHUOA-LBPRGKRZSA-N 0 0 227.392 3.610 20 0 BHADRN CCCCCNC(=O)CCc1cc(C)cc(C)c1 ZINC000676357462 487842155 /nfs/dbraw/zinc/84/21/55/487842155.db2.gz BVJOZCZNPYJOPE-UHFFFAOYSA-N 0 0 247.382 3.542 20 0 BHADRN CCC[C@@H](C)NC(=O)c1ccccc1C(C)(C)C ZINC000676362616 487841951 /nfs/dbraw/zinc/84/19/51/487841951.db2.gz JXZBJKSOCAMUHT-GFCCVEGCSA-N 0 0 247.382 3.903 20 0 BHADRN CCC[C@H](C)NC(=O)c1ccccc1C(C)(C)C ZINC000676362617 487841506 /nfs/dbraw/zinc/84/15/06/487841506.db2.gz JXZBJKSOCAMUHT-LBPRGKRZSA-N 0 0 247.382 3.903 20 0 BHADRN CCC[C@H](C)NC(=O)CCc1cc(C)cc(C)c1 ZINC000676362757 487841750 /nfs/dbraw/zinc/84/17/50/487841750.db2.gz MURBRKUBSUARBZ-AWEZNQCLSA-N 0 0 247.382 3.541 20 0 BHADRN CCC[C@@H](C)NC(=O)CCc1cc(C)cc(C)c1 ZINC000676362758 487841651 /nfs/dbraw/zinc/84/16/51/487841651.db2.gz MURBRKUBSUARBZ-CQSZACIVSA-N 0 0 247.382 3.541 20 0 BHADRN Cn1c2ccccc2nc1-c1cscc1Cl ZINC000676409062 487847776 /nfs/dbraw/zinc/84/77/76/487847776.db2.gz KRUMYLNJABOSDZ-UHFFFAOYSA-N 0 0 248.738 3.955 20 0 BHADRN c1cnc2cccc(OCC3CCCC3)c2c1 ZINC000676409297 487847532 /nfs/dbraw/zinc/84/75/32/487847532.db2.gz AYJJIBVHABMGRN-UHFFFAOYSA-N 0 0 227.307 3.804 20 0 BHADRN Cc1ccc(CSc2cccc(C)c2)nc1 ZINC000676410544 487849230 /nfs/dbraw/zinc/84/92/30/487849230.db2.gz IHOFPHVJSPWGTK-UHFFFAOYSA-N 0 0 229.348 3.991 20 0 BHADRN Cc1ccc(CSc2ccc(F)cc2)nc1 ZINC000676410785 487849227 /nfs/dbraw/zinc/84/92/27/487849227.db2.gz GKCYSDLAFVXXCE-UHFFFAOYSA-N 0 0 233.311 3.821 20 0 BHADRN Cc1ccc(CSc2cccc(F)c2)nc1 ZINC000676411019 487849161 /nfs/dbraw/zinc/84/91/61/487849161.db2.gz MYDIUUSEOLVNEQ-UHFFFAOYSA-N 0 0 233.311 3.821 20 0 BHADRN COc1ccccc1SCc1ccc(C)cn1 ZINC000676411021 487849051 /nfs/dbraw/zinc/84/90/51/487849051.db2.gz NDIMTKNEDSUMED-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN Cc1ccc(SCc2ccc(C)cn2)cc1 ZINC000676411170 487848905 /nfs/dbraw/zinc/84/89/05/487848905.db2.gz LWPPIKYJOAVNQX-UHFFFAOYSA-N 0 0 229.348 3.991 20 0 BHADRN COc1ccc(SCc2ccc(C)cn2)cc1 ZINC000676411286 487848993 /nfs/dbraw/zinc/84/89/93/487848993.db2.gz OEGPYNLRMOFHKK-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN Cc1ccc(CSc2ccccc2)nc1 ZINC000676411502 487848557 /nfs/dbraw/zinc/84/85/57/487848557.db2.gz QTSNAAYFWOPJDG-UHFFFAOYSA-N 0 0 215.321 3.682 20 0 BHADRN COc1cccc(SCc2ccc(C)cn2)c1 ZINC000676411547 487849140 /nfs/dbraw/zinc/84/91/40/487849140.db2.gz WCUOKEYXIHHWPH-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN Cc1ccc(CSc2ccccc2C)nc1 ZINC000676411733 487849258 /nfs/dbraw/zinc/84/92/58/487849258.db2.gz ZFZKJASQUQUHDV-UHFFFAOYSA-N 0 0 229.348 3.991 20 0 BHADRN Cc1ccc(CSc2ccccc2F)nc1 ZINC000676411817 487848389 /nfs/dbraw/zinc/84/83/89/487848389.db2.gz VPDGGNNZLBGLJS-UHFFFAOYSA-N 0 0 233.311 3.821 20 0 BHADRN CCc1ccc(CNc2cnccc2SC)o1 ZINC000676496256 487857877 /nfs/dbraw/zinc/85/78/77/487857877.db2.gz ZIIBCWOQFVWNOJ-UHFFFAOYSA-N 0 0 248.351 3.571 20 0 BHADRN c1csc(COc2cccc3c2CCCC3)n1 ZINC000676559778 487873449 /nfs/dbraw/zinc/87/34/49/487873449.db2.gz WRSYLQWUHVVMDX-UHFFFAOYSA-N 0 0 245.347 3.601 20 0 BHADRN CCCCNc1ccc2c(cnn2C(F)F)c1 ZINC000676560887 487872678 /nfs/dbraw/zinc/87/26/78/487872678.db2.gz DKOVPVDULPOXQN-UHFFFAOYSA-N 0 0 239.269 3.643 20 0 BHADRN CN(CCC1CC1)c1nccc2sccc21 ZINC000676566766 487875471 /nfs/dbraw/zinc/87/54/71/487875471.db2.gz PEVXQKARSIJSRK-UHFFFAOYSA-N 0 0 232.352 3.533 20 0 BHADRN CC1=C(C(=O)N(C2CC2)C2CCCCC2)CCC1 ZINC000676575192 487876232 /nfs/dbraw/zinc/87/62/32/487876232.db2.gz KNSGOPAWKQKKIO-UHFFFAOYSA-N 0 0 247.382 3.811 20 0 BHADRN CC[C@H](NC(=O)C1=C(C)CCC1)C1CCCCC1 ZINC000676576127 487876311 /nfs/dbraw/zinc/87/63/11/487876311.db2.gz RQOONSZHFKIYAB-HNNXBMFYSA-N 0 0 249.398 3.962 20 0 BHADRN CC[C@@H](NC(=O)C1=C(C)CCC1)C1CCCCC1 ZINC000676576128 487876202 /nfs/dbraw/zinc/87/62/02/487876202.db2.gz RQOONSZHFKIYAB-OAHLLOKOSA-N 0 0 249.398 3.962 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1cc(C)cc(C)n1 ZINC000676586604 487878029 /nfs/dbraw/zinc/87/80/29/487878029.db2.gz RQQGPXHNHUTBNW-UHFFFAOYSA-N 0 0 248.370 3.853 20 0 BHADRN C[C@H](CC(=O)N(C)CCC1CC1)CC(C)(C)C ZINC000676587000 487877973 /nfs/dbraw/zinc/87/79/73/487877973.db2.gz FCNJOFDCDPYQQM-GFCCVEGCSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](CC(=O)N(C)CCC1CC1)CC(C)(C)C ZINC000676587001 487877416 /nfs/dbraw/zinc/87/74/16/487877416.db2.gz FCNJOFDCDPYQQM-LBPRGKRZSA-N 0 0 239.403 3.707 20 0 BHADRN CCN(Cc1ccc(C)cn1)c1ccccc1F ZINC000676632048 487883807 /nfs/dbraw/zinc/88/38/07/487883807.db2.gz KNXJMADUCJJXSS-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCN(Cc1ccc(C)cn1)c1cccc(C)c1 ZINC000676632272 487883385 /nfs/dbraw/zinc/88/33/85/487883385.db2.gz MWZJMKSKOZELTE-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN Cc1ccc(CN(c2ccccc2)C(C)C)nc1 ZINC000676632275 487883350 /nfs/dbraw/zinc/88/33/50/487883350.db2.gz MZSXCJIIURPDSB-UHFFFAOYSA-N 0 0 240.350 3.805 20 0 BHADRN CCN(Cc1ccc(C)cn1)c1ccc(F)cc1 ZINC000676632276 487883579 /nfs/dbraw/zinc/88/35/79/487883579.db2.gz NDIMADLMNDCRKF-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCN(Cc1ccc(C)cn1)c1cccc(F)c1 ZINC000676633441 487884715 /nfs/dbraw/zinc/88/47/15/487884715.db2.gz YZVRXMCCGKRIEH-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1cccc(O)c1 ZINC000676634446 487885134 /nfs/dbraw/zinc/88/51/34/487885134.db2.gz AINDRLBHSHERSP-UHFFFAOYSA-N 0 0 235.327 3.547 20 0 BHADRN Cc1cccc2c1CCN2[C@H](C)c1ccncc1 ZINC000676634490 487884570 /nfs/dbraw/zinc/88/45/70/487884570.db2.gz CDNAMAPLYVPPDQ-CYBMUJFWSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1cccc2c1CCN2[C@@H](C)c1ccncc1 ZINC000676634491 487884924 /nfs/dbraw/zinc/88/49/24/487884924.db2.gz CDNAMAPLYVPPDQ-ZDUSSCGKSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1ccc2c(c1)N([C@H](C)c1ccncc1)CC2 ZINC000676634999 487705432 /nfs/dbraw/zinc/70/54/32/487705432.db2.gz ZEHJVGPWCPCPKM-CYBMUJFWSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1ccc2c(c1)N([C@@H](C)c1ccncc1)CC2 ZINC000676635000 487705186 /nfs/dbraw/zinc/70/51/86/487705186.db2.gz ZEHJVGPWCPCPKM-ZDUSSCGKSA-N 0 0 238.334 3.514 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1ccc(O)cc1 ZINC000676644096 487885948 /nfs/dbraw/zinc/88/59/48/487885948.db2.gz PBMGRYRPRZOGBV-UHFFFAOYSA-N 0 0 235.327 3.547 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1ccc(O)cc1C ZINC000676648038 487886909 /nfs/dbraw/zinc/88/69/09/487886909.db2.gz AWAOEYNTJAGWKL-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1ccc(O)c(C)c1 ZINC000676650068 487886956 /nfs/dbraw/zinc/88/69/56/487886956.db2.gz DSKVBNKVTKRXRK-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN Cc1cscc1NC(=O)[C@@H](C)C1CCCC1 ZINC000676664117 487888333 /nfs/dbraw/zinc/88/83/33/487888333.db2.gz MKYHWUODJXFNQZ-JTQLQIEISA-N 0 0 237.368 3.821 20 0 BHADRN Cc1cscc1NC(=O)[C@H](C)C1CCCC1 ZINC000676664118 487885717 /nfs/dbraw/zinc/88/57/17/487885717.db2.gz MKYHWUODJXFNQZ-SNVBAGLBSA-N 0 0 237.368 3.821 20 0 BHADRN CCC[C@H](C)NC(=O)CC[C@H](C)c1ccccc1 ZINC000676721648 487905305 /nfs/dbraw/zinc/90/53/05/487905305.db2.gz HTNKPVKEOPNJAE-KBPBESRZSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@H](C)NC(=O)CC[C@@H](C)c1ccccc1 ZINC000676721649 487905260 /nfs/dbraw/zinc/90/52/60/487905260.db2.gz HTNKPVKEOPNJAE-KGLIPLIRSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@@H](C)NC(=O)CC[C@H](C)c1ccccc1 ZINC000676721650 487905208 /nfs/dbraw/zinc/90/52/08/487905208.db2.gz HTNKPVKEOPNJAE-UONOGXRCSA-N 0 0 247.382 3.875 20 0 BHADRN CCC[C@@H](C)NC(=O)CC[C@@H](C)c1ccccc1 ZINC000676721651 487905266 /nfs/dbraw/zinc/90/52/66/487905266.db2.gz HTNKPVKEOPNJAE-ZIAGYGMSSA-N 0 0 247.382 3.875 20 0 BHADRN Fc1cccc(-c2csc([C@H]3CCCO3)n2)c1 ZINC000676722129 487904907 /nfs/dbraw/zinc/90/49/07/487904907.db2.gz ZSZXTYLYUUGTEK-GFCCVEGCSA-N 0 0 249.310 3.801 20 0 BHADRN Fc1cccc(-c2csc([C@@H]3CCCO3)n2)c1 ZINC000676722130 487905220 /nfs/dbraw/zinc/90/52/20/487905220.db2.gz ZSZXTYLYUUGTEK-LBPRGKRZSA-N 0 0 249.310 3.801 20 0 BHADRN CC(C)OCCSc1ccc(F)c(Cl)c1 ZINC000676722204 487905004 /nfs/dbraw/zinc/90/50/04/487905004.db2.gz DHWHWQGLYWYYET-UHFFFAOYSA-N 0 0 248.750 3.996 20 0 BHADRN c1cc(SC[C@@H]2CCCCO2)cc2c1CCC2 ZINC000676728947 487732352 /nfs/dbraw/zinc/73/23/52/487732352.db2.gz IXJMCAFKWYXRHZ-AWEZNQCLSA-N 0 0 248.391 3.837 20 0 BHADRN c1cc(SC[C@H]2CCCCO2)cc2c1CCC2 ZINC000676728948 487732369 /nfs/dbraw/zinc/73/23/69/487732369.db2.gz IXJMCAFKWYXRHZ-CQSZACIVSA-N 0 0 248.391 3.837 20 0 BHADRN CC(C)OCCSc1ccc2c(c1)CCC2 ZINC000676729031 487905929 /nfs/dbraw/zinc/90/59/29/487905929.db2.gz PYSXZVAPWAKJAB-UHFFFAOYSA-N 0 0 236.380 3.692 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)[C@H]1CC12CCC2 ZINC000676730202 487906192 /nfs/dbraw/zinc/90/61/92/487906192.db2.gz MAESSKHZIRYLHL-CHWSQXEVSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H]1CC12CCC2 ZINC000676730205 487906035 /nfs/dbraw/zinc/90/60/35/487906035.db2.gz MAESSKHZIRYLHL-OLZOCXBDSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1CC12CCC2 ZINC000676730208 487906267 /nfs/dbraw/zinc/90/62/67/487906267.db2.gz MAESSKHZIRYLHL-QWHCGFSZSA-N 0 0 249.398 3.604 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1CC12CCC2 ZINC000676730210 487906061 /nfs/dbraw/zinc/90/60/61/487906061.db2.gz MAESSKHZIRYLHL-STQMWFEESA-N 0 0 249.398 3.604 20 0 BHADRN CCc1cnc(CNc2ccc(CC)c(F)c2)o1 ZINC000676868021 487938970 /nfs/dbraw/zinc/93/89/70/487938970.db2.gz YLKUDWIUWLLNNK-UHFFFAOYSA-N 0 0 248.301 3.551 20 0 BHADRN CC1(C)CCCC[C@H]1CC(=O)N1C2CCC1CC2 ZINC000676869887 487938904 /nfs/dbraw/zinc/93/89/04/487938904.db2.gz XBBPQNAZMPFMEM-HSBZDZAISA-N 0 0 249.398 3.746 20 0 BHADRN CC1(C)CCCC[C@@H]1CC(=O)N1C2CCC1CC2 ZINC000676869889 487938401 /nfs/dbraw/zinc/93/84/01/487938401.db2.gz XBBPQNAZMPFMEM-IYXRBSQSSA-N 0 0 249.398 3.746 20 0 BHADRN Cc1ccnc(NC2CCC(OC(C)C)CC2)c1 ZINC000676879713 487940588 /nfs/dbraw/zinc/94/05/88/487940588.db2.gz OPPWFSQEENUZDY-UHFFFAOYSA-N 0 0 248.370 3.538 20 0 BHADRN c1ccc2sc(N3[C@H]4C=CC[C@@H]3CC4)nc2c1 ZINC000676882368 487940481 /nfs/dbraw/zinc/94/04/81/487940481.db2.gz MIKKAXMLRRYPNY-WDEREUQCSA-N 0 0 242.347 3.594 20 0 BHADRN Cc1nc2ccc(NC[C@@H]3CC=CCC3)cc2o1 ZINC000676902393 487944649 /nfs/dbraw/zinc/94/46/49/487944649.db2.gz GTKXEOBNEWWGBW-GFCCVEGCSA-N 0 0 242.322 3.904 20 0 BHADRN Cc1nc2ccc(NC[C@H]3CC=CCC3)cc2o1 ZINC000676902394 487944251 /nfs/dbraw/zinc/94/42/51/487944251.db2.gz GTKXEOBNEWWGBW-LBPRGKRZSA-N 0 0 242.322 3.904 20 0 BHADRN CC1(C)CCCC[C@@H]1CC(=O)NC1(C2CC2)CC1 ZINC000676904316 487944749 /nfs/dbraw/zinc/94/47/49/487944749.db2.gz ORXWBBBLABAZHW-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCCC[C@H]1CC(=O)NC1(C2CC2)CC1 ZINC000676904317 487944168 /nfs/dbraw/zinc/94/41/68/487944168.db2.gz ORXWBBBLABAZHW-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN CCc1ccc(NCc2ccc(C)o2)cc1F ZINC000676907518 487946003 /nfs/dbraw/zinc/94/60/03/487946003.db2.gz HVEHZADYJRQEMZ-UHFFFAOYSA-N 0 0 233.286 3.902 20 0 BHADRN C[C@@H](C(=O)NCC1(C2CC2)CCC1)C1CCCC1 ZINC000676938772 487947490 /nfs/dbraw/zinc/94/74/90/487947490.db2.gz CJNRETCNILKUFC-GFCCVEGCSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@H](C(=O)NCC1(C2CC2)CCC1)C1CCCC1 ZINC000676938773 487947356 /nfs/dbraw/zinc/94/73/56/487947356.db2.gz CJNRETCNILKUFC-LBPRGKRZSA-N 0 0 249.398 3.509 20 0 BHADRN CCC(CC)(CC)C(=O)N[C@H](C)CC(C)C ZINC000676940020 487948466 /nfs/dbraw/zinc/94/84/66/487948466.db2.gz RBTLGYVVKMKQBA-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(CC)(CC)C(=O)N[C@@H](C)CC(C)C ZINC000676940023 487948123 /nfs/dbraw/zinc/94/81/23/487948123.db2.gz RBTLGYVVKMKQBA-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CCc1ccc(NC(=O)[C@H]2CC23CCC3)cc1F ZINC000676956129 487949546 /nfs/dbraw/zinc/94/95/46/487949546.db2.gz LGMZWARYYOPBIK-GFCCVEGCSA-N 0 0 247.313 3.517 20 0 BHADRN CCc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1F ZINC000676956131 487949349 /nfs/dbraw/zinc/94/93/49/487949349.db2.gz LGMZWARYYOPBIK-LBPRGKRZSA-N 0 0 247.313 3.517 20 0 BHADRN CCC(CC)(CC)C(=O)NCC1(C2CC2)CC1 ZINC000676988363 487951338 /nfs/dbraw/zinc/95/13/38/487951338.db2.gz RRAHBRUHWHOIRY-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1cnc(C)s1 ZINC000676989692 487951233 /nfs/dbraw/zinc/95/12/33/487951233.db2.gz AJELBAGKNPYQRP-UHFFFAOYSA-N 0 0 240.372 3.606 20 0 BHADRN CCC[C@H](C)NC(=O)c1cc(Cl)ccc1C ZINC000677049665 487960050 /nfs/dbraw/zinc/96/00/50/487960050.db2.gz DRKCDTVSBXLOKY-JTQLQIEISA-N 0 0 239.746 3.567 20 0 BHADRN CCC[C@@H](C)NC(=O)c1cc(Cl)ccc1C ZINC000677049666 487960216 /nfs/dbraw/zinc/96/02/16/487960216.db2.gz DRKCDTVSBXLOKY-SNVBAGLBSA-N 0 0 239.746 3.567 20 0 BHADRN CCC[C@@H](C)NC(=O)CC1(C)CCCCC1 ZINC000677049725 491125957 /nfs/dbraw/zinc/12/59/57/491125957.db2.gz IHMWUPIVBBUFBM-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H](C)NC(=O)CC1(C)CCCCC1 ZINC000677049726 491125974 /nfs/dbraw/zinc/12/59/74/491125974.db2.gz IHMWUPIVBBUFBM-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CCCC(CCC)C(=O)N[C@H](C)CCC ZINC000677049734 487960306 /nfs/dbraw/zinc/96/03/06/487960306.db2.gz JIAFLSIKMZSBEU-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CCCC(CCC)C(=O)N[C@@H](C)CCC ZINC000677049735 487960279 /nfs/dbraw/zinc/96/02/79/487960279.db2.gz JIAFLSIKMZSBEU-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000677049797 487960282 /nfs/dbraw/zinc/96/02/82/487960282.db2.gz NZIBGJNEFLLSTE-IHRRRGAJSA-N 0 0 239.403 3.754 20 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ZINC000677052775 487960826 /nfs/dbraw/zinc/96/08/26/487960826.db2.gz WKBSDPKYXVUASK-CHWSQXEVSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](NC(=O)[C@H]1CC1(C)C)C1CCCCC1 ZINC000677052776 487960821 /nfs/dbraw/zinc/96/08/21/487960821.db2.gz WKBSDPKYXVUASK-OLZOCXBDSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC(CCC)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000677056758 487961864 /nfs/dbraw/zinc/96/18/64/487961864.db2.gz YQBPPZNKCJPQII-LLVKDONJSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC(CCC)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000677056759 487962273 /nfs/dbraw/zinc/96/22/73/487962273.db2.gz YQBPPZNKCJPQII-NSHDSACASA-N 0 0 247.329 3.507 20 0 BHADRN CCC(CC)(CC)C(=O)NCCC1=CCCC1 ZINC000677057765 487962183 /nfs/dbraw/zinc/96/21/83/487962183.db2.gz XPNDRGSGVQAJCL-UHFFFAOYSA-N 0 0 237.387 3.819 20 0 BHADRN CC(C)(CNC(=O)[C@H]1CC12CCC2)C1CCCC1 ZINC000677058313 487961889 /nfs/dbraw/zinc/96/18/89/487961889.db2.gz XPNDSGMPLRWBIJ-CYBMUJFWSA-N 0 0 249.398 3.509 20 0 BHADRN CC(C)(CNC(=O)[C@@H]1CC12CCC2)C1CCCC1 ZINC000677058314 487962130 /nfs/dbraw/zinc/96/21/30/487962130.db2.gz XPNDSGMPLRWBIJ-ZDUSSCGKSA-N 0 0 249.398 3.509 20 0 BHADRN CC(C)[C@H]1CC[C@H](C(=O)NC2(C3CC3)CC2)CC1 ZINC000677060768 487962976 /nfs/dbraw/zinc/96/29/76/487962976.db2.gz OSKAHURLHWRWOK-JOCQHMNTSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)C1CN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC000677116765 487970698 /nfs/dbraw/zinc/97/06/98/487970698.db2.gz IOVQLDDQSJSZFZ-GFCCVEGCSA-N 0 0 239.403 3.563 20 0 BHADRN CC(C)C1CN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC000677116766 487970403 /nfs/dbraw/zinc/97/04/03/487970403.db2.gz IOVQLDDQSJSZFZ-LBPRGKRZSA-N 0 0 239.403 3.563 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N1CC(C(C)C)C1 ZINC000677118458 487972479 /nfs/dbraw/zinc/97/24/79/487972479.db2.gz WBFGUEPIAAGCPG-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1CC(C(C)C)C1 ZINC000677118459 487972470 /nfs/dbraw/zinc/97/24/70/487972470.db2.gz WBFGUEPIAAGCPG-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)c1ccc(C(=O)N2CC(C(C)C)C2)cc1 ZINC000677121741 487974153 /nfs/dbraw/zinc/97/41/53/487974153.db2.gz ISVONAMNDHARKP-UHFFFAOYSA-N 0 0 245.366 3.538 20 0 BHADRN CCCC(CCC)C(=O)Nc1cccc(C)c1O ZINC000677123480 487976019 /nfs/dbraw/zinc/97/60/19/487976019.db2.gz BKXPRPOSCMZXPU-UHFFFAOYSA-N 0 0 249.354 3.856 20 0 BHADRN Cc1ccc(Cc2nc(C3CCCCC3)no2)o1 ZINC000677143343 487982549 /nfs/dbraw/zinc/98/25/49/487982549.db2.gz GHRHNMSTHVXIDQ-UHFFFAOYSA-N 0 0 246.310 3.610 20 0 BHADRN CC(C)CC1(C)CCN(CC(F)(F)F)CC1 ZINC000677161507 487986103 /nfs/dbraw/zinc/98/61/03/487986103.db2.gz BNBCRRJSJVSEFN-UHFFFAOYSA-N 0 0 237.309 3.697 20 0 BHADRN Cc1cc(F)ccc1OCCCOC(C)(C)C ZINC000677235040 488003125 /nfs/dbraw/zinc/00/31/25/488003125.db2.gz JHNRTGHRHDVUKQ-UHFFFAOYSA-N 0 0 240.318 3.718 20 0 BHADRN CCC[C@H](C)NC(=O)c1cccc(C)c1Cl ZINC000677246175 488006066 /nfs/dbraw/zinc/00/60/66/488006066.db2.gz LXWWVCGNBGXRSI-JTQLQIEISA-N 0 0 239.746 3.567 20 0 BHADRN CCC[C@@H](C)NC(=O)c1cccc(C)c1Cl ZINC000677246176 488006256 /nfs/dbraw/zinc/00/62/56/488006256.db2.gz LXWWVCGNBGXRSI-SNVBAGLBSA-N 0 0 239.746 3.567 20 0 BHADRN C[C@H](CC(=O)NC1(C)CCC1)CC(C)(C)C ZINC000677254374 488005774 /nfs/dbraw/zinc/00/57/74/488005774.db2.gz DRSNOCMHAUBNNL-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN C[C@@H](CC(=O)NC1(C)CCC1)CC(C)(C)C ZINC000677254376 488006046 /nfs/dbraw/zinc/00/60/46/488006046.db2.gz DRSNOCMHAUBNNL-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)Cc1ccc(C(=O)NC2(C)CCC2)cc1 ZINC000677255230 488005811 /nfs/dbraw/zinc/00/58/11/488005811.db2.gz UNKIDHBCNHVTQD-UHFFFAOYSA-N 0 0 245.366 3.558 20 0 BHADRN CCCCc1ccc(C(=O)NC2(C)CCC2)cc1 ZINC000677255764 488005590 /nfs/dbraw/zinc/00/55/90/488005590.db2.gz UAXBCUKNXWNJHM-UHFFFAOYSA-N 0 0 245.366 3.702 20 0 BHADRN CCCCCNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000677296504 488009737 /nfs/dbraw/zinc/00/97/37/488009737.db2.gz DBJMWQRPVNAJRA-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCNC(=O)[C@H]1CCCC(C)(C)C1 ZINC000677296505 488009695 /nfs/dbraw/zinc/00/96/95/488009695.db2.gz DBJMWQRPVNAJRA-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CCC[C@@H](C)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000677297738 488010111 /nfs/dbraw/zinc/01/01/11/488010111.db2.gz GDHJBKAPFNKCLA-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000677297739 488009814 /nfs/dbraw/zinc/00/98/14/488009814.db2.gz GDHJBKAPFNKCLA-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000677297740 488010074 /nfs/dbraw/zinc/01/00/74/488010074.db2.gz GDHJBKAPFNKCLA-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](C)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000677297741 488009186 /nfs/dbraw/zinc/00/91/86/488009186.db2.gz GDHJBKAPFNKCLA-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000677298982 488009957 /nfs/dbraw/zinc/00/99/57/488009957.db2.gz GWHCWSJBXVXNIU-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)CCN(C)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000677298983 488011098 /nfs/dbraw/zinc/01/10/98/488011098.db2.gz GWHCWSJBXVXNIU-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN 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/nfs/dbraw/zinc/30/55/10/488305510.db2.gz CDBYAGASFMAODY-GFCCVEGCSA-N 0 0 230.311 3.737 20 0 BHADRN CC[C@H](Nc1ccc2nc(C)oc2c1)C1CC1 ZINC000679069392 488305570 /nfs/dbraw/zinc/30/55/70/488305570.db2.gz CDBYAGASFMAODY-LBPRGKRZSA-N 0 0 230.311 3.737 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccc(C)nc2C)cn1 ZINC000679072152 488305995 /nfs/dbraw/zinc/30/59/95/488305995.db2.gz VEXIZAIOQFGKSC-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccc(C)nc2C)cn1 ZINC000679072153 488305873 /nfs/dbraw/zinc/30/58/73/488305873.db2.gz VEXIZAIOQFGKSC-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1cnn(CC2CC2)c1 ZINC000679082712 488306556 /nfs/dbraw/zinc/30/65/56/488306556.db2.gz AUBVOWDTCBSDFA-CYBMUJFWSA-N 0 0 247.386 3.840 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1cnn(CC2CC2)c1 ZINC000679082713 488306526 /nfs/dbraw/zinc/30/65/26/488306526.db2.gz AUBVOWDTCBSDFA-ZDUSSCGKSA-N 0 0 247.386 3.840 20 0 BHADRN C[C@@H](Nc1cnn(CC2CC2)c1)C1CCCCC1 ZINC000679082789 488306900 /nfs/dbraw/zinc/30/69/00/488306900.db2.gz CSFDDHBHBIWQCT-GFCCVEGCSA-N 0 0 247.386 3.674 20 0 BHADRN C[C@H](Nc1cnn(CC2CC2)c1)C1CCCCC1 ZINC000679082791 488306647 /nfs/dbraw/zinc/30/66/47/488306647.db2.gz CSFDDHBHBIWQCT-LBPRGKRZSA-N 0 0 247.386 3.674 20 0 BHADRN C[C@@H]1CCC[C@H](C)[C@H]1Nc1cnn(CC2CC2)c1 ZINC000679083504 488307143 /nfs/dbraw/zinc/30/71/43/488307143.db2.gz UTQZGDQKDQRLPC-JYAVWHMHSA-N 0 0 247.386 3.530 20 0 BHADRN C[C@H]1CCC[C@H](C)C1Nc1cnn(CC2CC2)c1 ZINC000679083507 488307289 /nfs/dbraw/zinc/30/72/89/488307289.db2.gz UTQZGDQKDQRLPC-RYUDHWBXSA-N 0 0 247.386 3.530 20 0 BHADRN C[C@@H]1CCC[C@@H](C)C1Nc1cnn(CC2CC2)c1 ZINC000679083510 488307156 /nfs/dbraw/zinc/30/71/56/488307156.db2.gz UTQZGDQKDQRLPC-VXGBXAGGSA-N 0 0 247.386 3.530 20 0 BHADRN CCc1c(N[C@H](CC)C2CC2)cnn1CC(C)C ZINC000679084112 488307057 /nfs/dbraw/zinc/30/70/57/488307057.db2.gz CKVJOGBVAWZMPE-CYBMUJFWSA-N 0 0 249.402 3.702 20 0 BHADRN CCc1c(N[C@@H](CC)C2CC2)cnn1CC(C)C ZINC000679084113 488307138 /nfs/dbraw/zinc/30/71/38/488307138.db2.gz CKVJOGBVAWZMPE-ZDUSSCGKSA-N 0 0 249.402 3.702 20 0 BHADRN Cc1ccn(-c2ccccc2N[C@H](C)C(C)C)n1 ZINC000679084153 488307440 /nfs/dbraw/zinc/30/74/40/488307440.db2.gz CVTJDYOSNKUBPJ-CYBMUJFWSA-N 0 0 243.354 3.637 20 0 BHADRN Cc1ccn(-c2ccccc2N[C@@H](C)C(C)C)n1 ZINC000679084154 488307456 /nfs/dbraw/zinc/30/74/56/488307456.db2.gz CVTJDYOSNKUBPJ-ZDUSSCGKSA-N 0 0 243.354 3.637 20 0 BHADRN CCc1c(N[C@H](C)C(C)C)cnn1CC(C)C ZINC000679085069 488307103 /nfs/dbraw/zinc/30/71/03/488307103.db2.gz LOILKNPZAYKSRO-GFCCVEGCSA-N 0 0 237.391 3.558 20 0 BHADRN CCc1c(N[C@@H](C)C(C)C)cnn1CC(C)C ZINC000679085070 488307106 /nfs/dbraw/zinc/30/71/06/488307106.db2.gz LOILKNPZAYKSRO-LBPRGKRZSA-N 0 0 237.391 3.558 20 0 BHADRN CCc1c(N[C@H](C)C2CCC2)cnn1CC(C)C ZINC000679085464 488307047 /nfs/dbraw/zinc/30/70/47/488307047.db2.gz UJTCFUVUVWHARY-GFCCVEGCSA-N 0 0 249.402 3.702 20 0 BHADRN CCc1c(N[C@@H](C)C2CCC2)cnn1CC(C)C ZINC000679085466 488307503 /nfs/dbraw/zinc/30/75/03/488307503.db2.gz UJTCFUVUVWHARY-LBPRGKRZSA-N 0 0 249.402 3.702 20 0 BHADRN c1cc(C2CC2)ccc1N[C@H]1CCCOCC1 ZINC000679088699 487757758 /nfs/dbraw/zinc/75/77/58/487757758.db2.gz AGAWRFVWWYULPG-AWEZNQCLSA-N 0 0 231.339 3.545 20 0 BHADRN c1cc(C2CC2)ccc1N[C@@H]1CCCOCC1 ZINC000679088700 487757786 /nfs/dbraw/zinc/75/77/86/487757786.db2.gz AGAWRFVWWYULPG-CQSZACIVSA-N 0 0 231.339 3.545 20 0 BHADRN CCOC1CC(Nc2ccc(C3CC3)cc2)C1 ZINC000679089129 488307092 /nfs/dbraw/zinc/30/70/92/488307092.db2.gz GLVRBDHTTJMZTL-UHFFFAOYSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc(C3CC3)cc2)CCO1 ZINC000679089179 488307926 /nfs/dbraw/zinc/30/79/26/488307926.db2.gz HIPNKLSUXCDRDM-ABAIWWIYSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc(C3CC3)cc2)CCO1 ZINC000679089181 488307696 /nfs/dbraw/zinc/30/76/96/488307696.db2.gz HIPNKLSUXCDRDM-IAQYHMDHSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@H]1C[C@@H](Nc2ccc(C3CC3)cc2)CCO1 ZINC000679089183 488307902 /nfs/dbraw/zinc/30/79/02/488307902.db2.gz HIPNKLSUXCDRDM-NHYWBVRUSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@H]1C[C@H](Nc2ccc(C3CC3)cc2)CCO1 ZINC000679089185 488307678 /nfs/dbraw/zinc/30/76/78/488307678.db2.gz HIPNKLSUXCDRDM-XHDPSFHLSA-N 0 0 231.339 3.543 20 0 BHADRN C[C@@H](Nc1ccc(C2CC2)cc1)C1CCOCC1 ZINC000679089304 488307891 /nfs/dbraw/zinc/30/78/91/488307891.db2.gz IAONQMISQDYTRX-GFCCVEGCSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@H](Nc1ccc(C2CC2)cc1)C1CCOCC1 ZINC000679089305 488307881 /nfs/dbraw/zinc/30/78/81/488307881.db2.gz IAONQMISQDYTRX-LBPRGKRZSA-N 0 0 245.366 3.791 20 0 BHADRN COCCC[C@@H](C)Nc1ccc(C2CC2)cc1 ZINC000679089449 488307950 /nfs/dbraw/zinc/30/79/50/488307950.db2.gz KJXJAZAGBFDZFT-GFCCVEGCSA-N 0 0 233.355 3.791 20 0 BHADRN COCCC[C@H](C)Nc1ccc(C2CC2)cc1 ZINC000679089451 488307986 /nfs/dbraw/zinc/30/79/86/488307986.db2.gz KJXJAZAGBFDZFT-LBPRGKRZSA-N 0 0 233.355 3.791 20 0 BHADRN COC[C@H](Nc1ccc(C2CC2)cc1)C(C)C ZINC000679089729 488307775 /nfs/dbraw/zinc/30/77/75/488307775.db2.gz NAWICEOPNSLZAT-HNNXBMFYSA-N 0 0 233.355 3.647 20 0 BHADRN COC[C@@H](Nc1ccc(C2CC2)cc1)C(C)C ZINC000679089732 488307317 /nfs/dbraw/zinc/30/73/17/488307317.db2.gz NAWICEOPNSLZAT-OAHLLOKOSA-N 0 0 233.355 3.647 20 0 BHADRN CC[C@@H](Nc1ccc(C2CC2)cc1)[C@@H]1CCOC1 ZINC000679089834 488307700 /nfs/dbraw/zinc/30/77/00/488307700.db2.gz ORPJVTDMSYIDDN-GDBMZVCRSA-N 0 0 245.366 3.791 20 0 BHADRN CC[C@@H](Nc1ccc(C2CC2)cc1)[C@H]1CCOC1 ZINC000679089836 488307657 /nfs/dbraw/zinc/30/76/57/488307657.db2.gz ORPJVTDMSYIDDN-GOEBONIOSA-N 0 0 245.366 3.791 20 0 BHADRN CC[C@H](Nc1ccc(C2CC2)cc1)[C@H]1CCOC1 ZINC000679089838 488307909 /nfs/dbraw/zinc/30/79/09/488307909.db2.gz ORPJVTDMSYIDDN-HOCLYGCPSA-N 0 0 245.366 3.791 20 0 BHADRN CC[C@H](Nc1ccc(C2CC2)cc1)[C@@H]1CCOC1 ZINC000679089839 488307937 /nfs/dbraw/zinc/30/79/37/488307937.db2.gz ORPJVTDMSYIDDN-ZBFHGGJFSA-N 0 0 245.366 3.791 20 0 BHADRN Cc1c(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cnn1C ZINC000679090046 488308021 /nfs/dbraw/zinc/30/80/21/488308021.db2.gz PPMPFPUNSJNUAR-MRVWCRGKSA-N 0 0 249.402 3.601 20 0 BHADRN C[C@@H](Nc1ccc(C2CC2)cc1)c1cnccn1 ZINC000679090170 488307638 /nfs/dbraw/zinc/30/76/38/488307638.db2.gz RWTBUBAHGRDIDU-LLVKDONJSA-N 0 0 239.322 3.527 20 0 BHADRN C[C@H](Nc1ccc(C2CC2)cc1)c1cnccn1 ZINC000679090171 488307995 /nfs/dbraw/zinc/30/79/95/488307995.db2.gz RWTBUBAHGRDIDU-NSHDSACASA-N 0 0 239.322 3.527 20 0 BHADRN Cc1c(N[C@H](C)CC2CCC2)cnn1CC(C)C ZINC000679090547 488307865 /nfs/dbraw/zinc/30/78/65/488307865.db2.gz VJTTZTPULYWBOF-GFCCVEGCSA-N 0 0 249.402 3.838 20 0 BHADRN Cc1c(N[C@@H](C)CC2CCC2)cnn1CC(C)C ZINC000679090548 488307912 /nfs/dbraw/zinc/30/79/12/488307912.db2.gz VJTTZTPULYWBOF-LBPRGKRZSA-N 0 0 249.402 3.838 20 0 BHADRN CCc1ccc(N[C@@H](COC)C2CC2)cc1CC ZINC000679090565 488307798 /nfs/dbraw/zinc/30/77/98/488307798.db2.gz VSBCDGYPUOMFFS-INIZCTEOSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1ccc(N[C@H](COC)C2CC2)cc1CC ZINC000679090566 488307853 /nfs/dbraw/zinc/30/78/53/488307853.db2.gz VSBCDGYPUOMFFS-MRXNPFEDSA-N 0 0 247.382 3.648 20 0 BHADRN CCCC[C@@H](CC)Nc1cnc2c(c1)COCC2 ZINC000679090667 488307715 /nfs/dbraw/zinc/30/77/15/488307715.db2.gz ALTWRJHUNROIDQ-CYBMUJFWSA-N 0 0 248.370 3.535 20 0 BHADRN CCCC[C@H](CC)Nc1cnc2c(c1)COCC2 ZINC000679090668 488307707 /nfs/dbraw/zinc/30/77/07/488307707.db2.gz ALTWRJHUNROIDQ-ZDUSSCGKSA-N 0 0 248.370 3.535 20 0 BHADRN CCCC(CCC)Nc1cnc2c(c1)COCC2 ZINC000679092493 488308220 /nfs/dbraw/zinc/30/82/20/488308220.db2.gz OHPFFAGNPYOBTJ-UHFFFAOYSA-N 0 0 248.370 3.535 20 0 BHADRN Cc1cc(C)c(CNc2ccc(F)cn2)c(C)c1 ZINC000679119671 488310705 /nfs/dbraw/zinc/31/07/05/488310705.db2.gz OKZQIKIFJKSEHK-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN Fc1ccc(NCc2ccccc2C2CC2)nc1 ZINC000679119683 488310612 /nfs/dbraw/zinc/31/06/12/488310612.db2.gz OUNMVWNEZDTCTG-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN CCc1cc(NCc2ccc(C(C)C)cc2)no1 ZINC000679121909 488310765 /nfs/dbraw/zinc/31/07/65/488310765.db2.gz HMRFVMRIKKNYRV-UHFFFAOYSA-N 0 0 244.338 3.973 20 0 BHADRN CCc1cc(NCc2ccccc2C2CC2)no1 ZINC000679121954 488310585 /nfs/dbraw/zinc/31/05/85/488310585.db2.gz LIDWJBOQMPPVQL-UHFFFAOYSA-N 0 0 242.322 3.727 20 0 BHADRN CCc1cc(NCc2cc(C)c(C)cc2C)no1 ZINC000679121986 488310578 /nfs/dbraw/zinc/31/05/78/488310578.db2.gz LQTMGGXTJXHAHD-UHFFFAOYSA-N 0 0 244.338 3.774 20 0 BHADRN CCCc1ccc(CNc2cc(CC)on2)cc1 ZINC000679122106 488310782 /nfs/dbraw/zinc/31/07/82/488310782.db2.gz MUPOPCXMAOXPKK-UHFFFAOYSA-N 0 0 244.338 3.802 20 0 BHADRN CCc1cc(NCc2coc3ccccc23)no1 ZINC000679122376 487767974 /nfs/dbraw/zinc/76/79/74/487767974.db2.gz QJOOPIUCYHZYQE-UHFFFAOYSA-N 0 0 242.278 3.595 20 0 BHADRN CCc1cc(NCc2c(C)cc(C)cc2C)no1 ZINC000679122422 488310570 /nfs/dbraw/zinc/31/05/70/488310570.db2.gz TYFWLEPENVQXNV-UHFFFAOYSA-N 0 0 244.338 3.774 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccn(-c2ccccc2)n1 ZINC000679132091 488312023 /nfs/dbraw/zinc/31/20/23/488312023.db2.gz PTKMPGVWRZCWDW-CYBMUJFWSA-N 0 0 243.354 3.719 20 0 BHADRN CC(C)C[C@H](C)Nc1ccn(-c2ccccc2)n1 ZINC000679132093 488312068 /nfs/dbraw/zinc/31/20/68/488312068.db2.gz PTKMPGVWRZCWDW-ZDUSSCGKSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](C)Nc1ccc2c(cnn2C(C)C)c1 ZINC000679147196 488313510 /nfs/dbraw/zinc/31/35/10/488313510.db2.gz FEFQGETYBFTFRJ-LLVKDONJSA-N 0 0 231.343 3.828 20 0 BHADRN CC[C@H](C)Nc1ccc2c(cnn2C(C)C)c1 ZINC000679147197 488313297 /nfs/dbraw/zinc/31/32/97/488313297.db2.gz FEFQGETYBFTFRJ-NSHDSACASA-N 0 0 231.343 3.828 20 0 BHADRN CC(C)n1ncc2cc(N[C@H](C)C3CC3)ccc21 ZINC000679147608 488313444 /nfs/dbraw/zinc/31/34/44/488313444.db2.gz JZDDJIJJXVVLRC-LLVKDONJSA-N 0 0 243.354 3.828 20 0 BHADRN CC(C)n1ncc2cc(N[C@@H](C)C3CC3)ccc21 ZINC000679147610 488313389 /nfs/dbraw/zinc/31/33/89/488313389.db2.gz JZDDJIJJXVVLRC-NSHDSACASA-N 0 0 243.354 3.828 20 0 BHADRN Cc1cc(N[C@H](C)C(C)C)nn1-c1ccccc1 ZINC000679153150 488313878 /nfs/dbraw/zinc/31/38/78/488313878.db2.gz LIBCFODSIZBUBG-CYBMUJFWSA-N 0 0 243.354 3.637 20 0 BHADRN Cc1cc(N[C@@H](C)C(C)C)nn1-c1ccccc1 ZINC000679153151 488313693 /nfs/dbraw/zinc/31/36/93/488313693.db2.gz LIBCFODSIZBUBG-ZDUSSCGKSA-N 0 0 243.354 3.637 20 0 BHADRN CCc1ccc(CC)c(N[C@@H](COC)C2CC2)c1 ZINC000679153601 488313656 /nfs/dbraw/zinc/31/36/56/488313656.db2.gz WRBCLBHQLXXASL-INIZCTEOSA-N 0 0 247.382 3.648 20 0 BHADRN CCc1ccc(CC)c(N[C@H](COC)C2CC2)c1 ZINC000679153602 488313718 /nfs/dbraw/zinc/31/37/18/488313718.db2.gz WRBCLBHQLXXASL-MRXNPFEDSA-N 0 0 247.382 3.648 20 0 BHADRN CC[C@H](Nc1cccc(OCCF)c1)C1CC1 ZINC000679153670 488313901 /nfs/dbraw/zinc/31/39/01/488313901.db2.gz XZMNNFTWESCJHQ-AWEZNQCLSA-N 0 0 237.318 3.635 20 0 BHADRN CC[C@@H](Nc1cccc(OCCF)c1)C1CC1 ZINC000679153671 488313571 /nfs/dbraw/zinc/31/35/71/488313571.db2.gz XZMNNFTWESCJHQ-CQSZACIVSA-N 0 0 237.318 3.635 20 0 BHADRN c1ccc(COc2cccc3c2CCCC3)nc1 ZINC000679166678 488314104 /nfs/dbraw/zinc/31/41/04/488314104.db2.gz XCDXOENIIJTYOB-UHFFFAOYSA-N 0 0 239.318 3.539 20 0 BHADRN CCc1cc(NC(=O)[C@@H]2CC23CCC3)ccc1C ZINC000679200855 488316762 /nfs/dbraw/zinc/31/67/62/488316762.db2.gz SNPJQOQATPGFHT-AWEZNQCLSA-N 0 0 243.350 3.686 20 0 BHADRN CCc1cc(NC(=O)[C@H]2CC23CCC3)ccc1C ZINC000679200857 488316760 /nfs/dbraw/zinc/31/67/60/488316760.db2.gz SNPJQOQATPGFHT-CQSZACIVSA-N 0 0 243.350 3.686 20 0 BHADRN C[C@H](c1ccc(F)cc1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679217583 487781513 /nfs/dbraw/zinc/78/15/13/487781513.db2.gz AAFSRSSZSNOBGM-GYSYKLTISA-N 0 0 239.309 3.567 20 0 BHADRN C[C@H](c1ccc(F)cc1)N1CC[C@@H](C)[C@H](F)C1 ZINC000679217587 487781535 /nfs/dbraw/zinc/78/15/35/487781535.db2.gz AAFSRSSZSNOBGM-JTNHKYCSSA-N 0 0 239.309 3.567 20 0 BHADRN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679217588 487781565 /nfs/dbraw/zinc/78/15/65/487781565.db2.gz AAFSRSSZSNOBGM-SUNKGSAMSA-N 0 0 239.309 3.567 20 0 BHADRN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](C)[C@H](F)C1 ZINC000679217590 487781461 /nfs/dbraw/zinc/78/14/61/487781461.db2.gz AAFSRSSZSNOBGM-UHIISALHSA-N 0 0 239.309 3.567 20 0 BHADRN Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000679218908 488317894 /nfs/dbraw/zinc/31/78/94/488317894.db2.gz DXZUFBJOEOBIHT-IPYPFGDCSA-N 0 0 235.346 3.736 20 0 BHADRN C[C@H]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679221172 488319462 /nfs/dbraw/zinc/31/94/62/488319462.db2.gz KETGNQLORBXUSX-GWCFXTLKSA-N 0 0 241.737 3.520 20 0 BHADRN C[C@H]1CCN(Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679221173 488319421 /nfs/dbraw/zinc/31/94/21/488319421.db2.gz KETGNQLORBXUSX-GXFFZTMASA-N 0 0 241.737 3.520 20 0 BHADRN C[C@@H]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679221174 488319292 /nfs/dbraw/zinc/31/92/92/488319292.db2.gz KETGNQLORBXUSX-MFKMUULPSA-N 0 0 241.737 3.520 20 0 BHADRN C[C@@H]1CCN(Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679221175 488319347 /nfs/dbraw/zinc/31/93/47/488319347.db2.gz KETGNQLORBXUSX-ZWNOBZJWSA-N 0 0 241.737 3.520 20 0 BHADRN C[C@H](c1ccccc1F)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679222174 488319652 /nfs/dbraw/zinc/31/96/52/488319652.db2.gz JEBXLJSISPTBKC-GYSYKLTISA-N 0 0 239.309 3.567 20 0 BHADRN C[C@H](c1ccccc1F)N1CC[C@@H](C)[C@H](F)C1 ZINC000679222175 488319859 /nfs/dbraw/zinc/31/98/59/488319859.db2.gz JEBXLJSISPTBKC-JTNHKYCSSA-N 0 0 239.309 3.567 20 0 BHADRN C[C@@H](c1ccccc1F)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679222176 488319673 /nfs/dbraw/zinc/31/96/73/488319673.db2.gz JEBXLJSISPTBKC-SUNKGSAMSA-N 0 0 239.309 3.567 20 0 BHADRN C[C@@H](c1ccccc1F)N1CC[C@@H](C)[C@H](F)C1 ZINC000679222177 488319663 /nfs/dbraw/zinc/31/96/63/488319663.db2.gz JEBXLJSISPTBKC-UHIISALHSA-N 0 0 239.309 3.567 20 0 BHADRN C[C@H](c1cccc(F)c1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679222670 488320294 /nfs/dbraw/zinc/32/02/94/488320294.db2.gz PGKPXMCMFZEVFO-GYSYKLTISA-N 0 0 239.309 3.567 20 0 BHADRN C[C@H](c1cccc(F)c1)N1CC[C@@H](C)[C@H](F)C1 ZINC000679222672 488320486 /nfs/dbraw/zinc/32/04/86/488320486.db2.gz PGKPXMCMFZEVFO-JTNHKYCSSA-N 0 0 239.309 3.567 20 0 BHADRN C[C@@H](c1cccc(F)c1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679222674 488320535 /nfs/dbraw/zinc/32/05/35/488320535.db2.gz PGKPXMCMFZEVFO-SUNKGSAMSA-N 0 0 239.309 3.567 20 0 BHADRN C[C@@H](c1cccc(F)c1)N1CC[C@@H](C)[C@H](F)C1 ZINC000679222675 488320444 /nfs/dbraw/zinc/32/04/44/488320444.db2.gz PGKPXMCMFZEVFO-UHIISALHSA-N 0 0 239.309 3.567 20 0 BHADRN C[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1F ZINC000679222943 488320663 /nfs/dbraw/zinc/32/06/63/488320663.db2.gz KKZPLUKTHSFALL-PSASIEDQSA-N 0 0 247.766 3.581 20 0 BHADRN C[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@@H]1F ZINC000679222944 488320516 /nfs/dbraw/zinc/32/05/16/488320516.db2.gz KKZPLUKTHSFALL-SCZZXKLOSA-N 0 0 247.766 3.581 20 0 BHADRN C[C@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1F ZINC000679222945 488320580 /nfs/dbraw/zinc/32/05/80/488320580.db2.gz KKZPLUKTHSFALL-WCBMZHEXSA-N 0 0 247.766 3.581 20 0 BHADRN C[C@H]1CCN(Cc2ccc(Cl)s2)C[C@@H]1F ZINC000679222946 488320258 /nfs/dbraw/zinc/32/02/58/488320258.db2.gz KKZPLUKTHSFALL-WPRPVWTQSA-N 0 0 247.766 3.581 20 0 BHADRN C[C@@H]1CCN(Cc2cc3ccccc3o2)C[C@H]1F ZINC000679224240 487787475 /nfs/dbraw/zinc/78/74/75/487787475.db2.gz OKDUKZVGOUFEQR-BXUZGUMPSA-N 0 0 247.313 3.613 20 0 BHADRN C[C@H]1CCN(Cc2cc3ccccc3o2)C[C@@H]1F ZINC000679224244 487787340 /nfs/dbraw/zinc/78/73/40/487787340.db2.gz OKDUKZVGOUFEQR-FZMZJTMJSA-N 0 0 247.313 3.613 20 0 BHADRN C[C@@H]1CCN(Cc2cc3ccccc3o2)C[C@@H]1F ZINC000679224246 487787450 /nfs/dbraw/zinc/78/74/50/487787450.db2.gz OKDUKZVGOUFEQR-RISCZKNCSA-N 0 0 247.313 3.613 20 0 BHADRN C[C@H]1CCN(Cc2cc3ccccc3o2)C[C@H]1F ZINC000679224248 487787433 /nfs/dbraw/zinc/78/74/33/487787433.db2.gz OKDUKZVGOUFEQR-SMDDNHRTSA-N 0 0 247.313 3.613 20 0 BHADRN C[C@H]1CCN(Cc2ccccc2Cl)C[C@@H]1F ZINC000679225264 488321690 /nfs/dbraw/zinc/32/16/90/488321690.db2.gz WDGWABCXWFYFCH-GWCFXTLKSA-N 0 0 241.737 3.520 20 0 BHADRN C[C@H]1CCN(Cc2ccccc2Cl)C[C@H]1F ZINC000679225266 488321620 /nfs/dbraw/zinc/32/16/20/488321620.db2.gz WDGWABCXWFYFCH-GXFFZTMASA-N 0 0 241.737 3.520 20 0 BHADRN C[C@@H]1CCN(Cc2ccccc2Cl)C[C@@H]1F ZINC000679225268 488321540 /nfs/dbraw/zinc/32/15/40/488321540.db2.gz WDGWABCXWFYFCH-MFKMUULPSA-N 0 0 241.737 3.520 20 0 BHADRN C[C@@H]1CCN(Cc2ccccc2Cl)C[C@H]1F ZINC000679225271 488321713 /nfs/dbraw/zinc/32/17/13/488321713.db2.gz WDGWABCXWFYFCH-ZWNOBZJWSA-N 0 0 241.737 3.520 20 0 BHADRN C[C@H]1CCN(Cc2cccc(Cl)c2)C[C@@H]1F ZINC000679228264 488322123 /nfs/dbraw/zinc/32/21/23/488322123.db2.gz VXAJMKSELNHHME-GWCFXTLKSA-N 0 0 241.737 3.520 20 0 BHADRN C[C@H]1CCN(Cc2cccc(Cl)c2)C[C@H]1F ZINC000679228265 488322184 /nfs/dbraw/zinc/32/21/84/488322184.db2.gz VXAJMKSELNHHME-GXFFZTMASA-N 0 0 241.737 3.520 20 0 BHADRN C[C@@H]1CCN(Cc2cccc(Cl)c2)C[C@@H]1F ZINC000679228267 488322296 /nfs/dbraw/zinc/32/22/96/488322296.db2.gz VXAJMKSELNHHME-MFKMUULPSA-N 0 0 241.737 3.520 20 0 BHADRN C[C@@H]1CCN(Cc2cccc(Cl)c2)C[C@H]1F ZINC000679228268 488322353 /nfs/dbraw/zinc/32/23/53/488322353.db2.gz VXAJMKSELNHHME-ZWNOBZJWSA-N 0 0 241.737 3.520 20 0 BHADRN CCC[C@@H](C)NC(=O)Nc1ccc(C)c(CC)c1 ZINC000679234760 488322845 /nfs/dbraw/zinc/32/28/45/488322845.db2.gz WFICQXSKPQLXNO-GFCCVEGCSA-N 0 0 248.370 3.868 20 0 BHADRN CCC[C@H](C)NC(=O)Nc1ccc(C)c(CC)c1 ZINC000679234761 488322888 /nfs/dbraw/zinc/32/28/88/488322888.db2.gz WFICQXSKPQLXNO-LBPRGKRZSA-N 0 0 248.370 3.868 20 0 BHADRN Clc1ccc2c(c1)nccc2N1CC=CCC1 ZINC000679279747 488328405 /nfs/dbraw/zinc/32/84/05/488328405.db2.gz HFYQAIAHMFMLHL-UHFFFAOYSA-N 0 0 244.725 3.655 20 0 BHADRN c1sc(N2CC=CCC2)nc1-c1ccccc1 ZINC000679279762 488328332 /nfs/dbraw/zinc/32/83/32/488328332.db2.gz HVHILJIZQWNOKR-UHFFFAOYSA-N 0 0 242.347 3.576 20 0 BHADRN c1nc(N2CC=CCC2)sc1-c1ccccc1 ZINC000679279791 488327479 /nfs/dbraw/zinc/32/74/79/488327479.db2.gz JFYZGUUVNKEXMP-UHFFFAOYSA-N 0 0 242.347 3.576 20 0 BHADRN Clc1ccc2nccc(N3CC=CCC3)c2c1 ZINC000679279946 488328290 /nfs/dbraw/zinc/32/82/90/488328290.db2.gz LUXSTIGUJGDDKF-UHFFFAOYSA-N 0 0 244.725 3.655 20 0 BHADRN Cc1cnc(Nc2csc3ccccc23)nc1 ZINC000679280741 488328714 /nfs/dbraw/zinc/32/87/14/488328714.db2.gz PMGJNCRRUBCDPH-UHFFFAOYSA-N 0 0 241.319 3.743 20 0 BHADRN C[C@@H]1C[C@H](CNc2ccc(C3CC3)cc2)CCO1 ZINC000679288765 488329712 /nfs/dbraw/zinc/32/97/12/488329712.db2.gz NOLDEDLPTDPTHD-CHWSQXEVSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H]1C[C@@H](CNc2ccc(C3CC3)cc2)CCO1 ZINC000679288766 488329690 /nfs/dbraw/zinc/32/96/90/488329690.db2.gz NOLDEDLPTDPTHD-OLZOCXBDSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@H]1C[C@H](CNc2ccc(C3CC3)cc2)CCO1 ZINC000679288767 488329785 /nfs/dbraw/zinc/32/97/85/488329785.db2.gz NOLDEDLPTDPTHD-QWHCGFSZSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@H]1C[C@@H](CNc2ccc(C3CC3)cc2)CCO1 ZINC000679288768 488329766 /nfs/dbraw/zinc/32/97/66/488329766.db2.gz NOLDEDLPTDPTHD-STQMWFEESA-N 0 0 245.366 3.791 20 0 BHADRN C[C@H]1C[C@@H](CC(=O)N2CC=CCC2)CC(C)(C)C1 ZINC000679298897 488331421 /nfs/dbraw/zinc/33/14/21/488331421.db2.gz SWYSYNHMBSLXKC-KBPBESRZSA-N 0 0 249.398 3.627 20 0 BHADRN C[C@@H]1C[C@@H](CC(=O)N2CC=CCC2)CC(C)(C)C1 ZINC000679298899 488331328 /nfs/dbraw/zinc/33/13/28/488331328.db2.gz SWYSYNHMBSLXKC-KGLIPLIRSA-N 0 0 249.398 3.627 20 0 BHADRN C[C@H]1C[C@H](CC(=O)N2CC=CCC2)CC(C)(C)C1 ZINC000679298900 488331478 /nfs/dbraw/zinc/33/14/78/488331478.db2.gz SWYSYNHMBSLXKC-UONOGXRCSA-N 0 0 249.398 3.627 20 0 BHADRN C[C@@H]1C[C@H](CC(=O)N2CC=CCC2)CC(C)(C)C1 ZINC000679298903 488331451 /nfs/dbraw/zinc/33/14/51/488331451.db2.gz SWYSYNHMBSLXKC-ZIAGYGMSSA-N 0 0 249.398 3.627 20 0 BHADRN C[C@@H](c1ccc(F)c(Cl)c1)N1CC=CCC1 ZINC000679321433 488335998 /nfs/dbraw/zinc/33/59/98/488335998.db2.gz BVWBIUKFGNDQJG-JTQLQIEISA-N 0 0 239.721 3.802 20 0 BHADRN C[C@H](c1ccc(F)c(Cl)c1)N1CC=CCC1 ZINC000679321434 488336173 /nfs/dbraw/zinc/33/61/73/488336173.db2.gz BVWBIUKFGNDQJG-SNVBAGLBSA-N 0 0 239.721 3.802 20 0 BHADRN Clc1cccc(Cl)c1CN1CC=CCC1 ZINC000679322266 487901168 /nfs/dbraw/zinc/90/11/68/487901168.db2.gz YCBWZTYOKHRMQI-UHFFFAOYSA-N 0 0 242.149 3.755 20 0 BHADRN c1sc(C2CCCC2)nc1CN1CC=CCC1 ZINC000679323533 488336962 /nfs/dbraw/zinc/33/69/62/488336962.db2.gz ZQHFDGXZPBAMRJ-UHFFFAOYSA-N 0 0 248.395 3.563 20 0 BHADRN CCCCC1CCC(C(=O)N2CC=CCC2)CC1 ZINC000679327224 487909182 /nfs/dbraw/zinc/90/91/82/487909182.db2.gz IAGUWVFKZWXYCP-UHFFFAOYSA-N 0 0 249.398 3.772 20 0 BHADRN CC(C)c1ccccc1NC(=O)N1CC=CCC1 ZINC000679328880 488339740 /nfs/dbraw/zinc/33/97/40/488339740.db2.gz 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ZINC000679364426 488347149 /nfs/dbraw/zinc/34/71/49/488347149.db2.gz DKWLBJISFYVIJV-SNVBAGLBSA-N 0 0 241.338 3.769 20 0 BHADRN C[C@H](CCCCO)Nc1ccc(C2CC2)cc1 ZINC000679364715 488346947 /nfs/dbraw/zinc/34/69/47/488346947.db2.gz LAQZFUGTGHQDKD-GFCCVEGCSA-N 0 0 233.355 3.527 20 0 BHADRN C[C@@H](CCCCO)Nc1ccc(C2CC2)cc1 ZINC000679364716 488347090 /nfs/dbraw/zinc/34/70/90/488347090.db2.gz LAQZFUGTGHQDKD-LBPRGKRZSA-N 0 0 233.355 3.527 20 0 BHADRN C[C@H](CCCCO)Nc1csc2ccccc12 ZINC000679370742 488347800 /nfs/dbraw/zinc/34/78/00/488347800.db2.gz WAWUMKYHDMHKKU-LLVKDONJSA-N 0 0 249.379 3.864 20 0 BHADRN C[C@@H](CCCCO)Nc1csc2ccccc12 ZINC000679370743 488348336 /nfs/dbraw/zinc/34/83/36/488348336.db2.gz WAWUMKYHDMHKKU-NSHDSACASA-N 0 0 249.379 3.864 20 0 BHADRN CCCCN1CCCSc2ccccc21 ZINC000679385109 488348986 /nfs/dbraw/zinc/34/89/86/488348986.db2.gz VAZMBAWBKNBJKH-UHFFFAOYSA-N 0 0 221.369 3.789 20 0 BHADRN CCc1ccc(NCc2ccc(O)cc2)cc1F ZINC000679392218 488349620 /nfs/dbraw/zinc/34/96/20/488349620.db2.gz 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/nfs/dbraw/zinc/35/99/85/488359985.db2.gz OCWNDPNNDWZDJX-QMMMGPOBSA-N 0 0 230.764 3.565 20 0 BHADRN COc1ccc(Nc2ncc(Cl)s2)cc1 ZINC000679631985 488360551 /nfs/dbraw/zinc/36/05/51/488360551.db2.gz OJJXAFSEOOLUTK-UHFFFAOYSA-N 0 0 240.715 3.549 20 0 BHADRN Clc1cnc(Oc2cncc(Cl)c2)s1 ZINC000679634518 488360877 /nfs/dbraw/zinc/36/08/77/488360877.db2.gz RTSLPXMJKHYAEL-UHFFFAOYSA-N 0 0 247.106 3.637 20 0 BHADRN CCC[C@@H](C)NC(=O)C1(C)CCCCCC1 ZINC000679653110 488362838 /nfs/dbraw/zinc/36/28/38/488362838.db2.gz ZYBAHGUAFSLVDN-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCC[C@H](C)NC(=O)C1(C)CCCCCC1 ZINC000679653111 488362749 /nfs/dbraw/zinc/36/27/49/488362749.db2.gz ZYBAHGUAFSLVDN-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CC(C)CCN(C)C(=O)C1(C)CCCCCC1 ZINC000679653578 488362726 /nfs/dbraw/zinc/36/27/26/488362726.db2.gz KNYCKHYRCHSZMX-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@H](CNC(=O)C1(C)CCCCCC1)C1CC1 ZINC000679654243 488362759 /nfs/dbraw/zinc/36/27/59/488362759.db2.gz 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CC1(C)CC[C@H](C(=O)N2C3CCCC2CCC3)C1 ZINC000679751373 488365757 /nfs/dbraw/zinc/36/57/57/488365757.db2.gz OWZRXUGLCAKZJX-HSBZDZAISA-N 0 0 249.398 3.746 20 0 BHADRN CC1(C)CC[C@@H](C(=O)N2C3CCCC2CCC3)C1 ZINC000679751375 488365721 /nfs/dbraw/zinc/36/57/21/488365721.db2.gz OWZRXUGLCAKZJX-IYXRBSQSSA-N 0 0 249.398 3.746 20 0 BHADRN CC(C)C(NC(=O)[C@@H]1CCC(C)(C)C1)C(C)C ZINC000679759459 488365952 /nfs/dbraw/zinc/36/59/52/488365952.db2.gz OSZJHSJFZOFRAB-GFCCVEGCSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)[C@H]1CCC(C)(C)C1)C(C)C ZINC000679759461 488366002 /nfs/dbraw/zinc/36/60/02/488366002.db2.gz OSZJHSJFZOFRAB-LBPRGKRZSA-N 0 0 239.403 3.610 20 0 BHADRN CSc1ccc(COc2cccnc2C)cc1 ZINC000679847289 488368611 /nfs/dbraw/zinc/36/86/11/488368611.db2.gz JHOLTTHAWMSNJQ-UHFFFAOYSA-N 0 0 245.347 3.691 20 0 BHADRN CC[C@H](Nc1cnc2c(c1)CCCC2)C1CC1 ZINC000679904387 487483952 /nfs/dbraw/zinc/48/39/52/487483952.db2.gz AHMKHDJXQRAHQP-AWEZNQCLSA-N 0 0 230.355 3.561 20 0 BHADRN CC[C@@H](Nc1cnc2c(c1)CCCC2)C1CC1 ZINC000679904388 487484400 /nfs/dbraw/zinc/48/44/00/487484400.db2.gz AHMKHDJXQRAHQP-CQSZACIVSA-N 0 0 230.355 3.561 20 0 BHADRN C[C@H](CC(=O)N1CCC=C(F)C1)CC(C)(C)C ZINC000680011186 487517945 /nfs/dbraw/zinc/51/79/45/487517945.db2.gz IUAVCKLNJLPAGR-LLVKDONJSA-N 0 0 241.350 3.535 20 0 BHADRN C[C@@H](CC(=O)N1CCC=C(F)C1)CC(C)(C)C ZINC000680011187 487518094 /nfs/dbraw/zinc/51/80/94/487518094.db2.gz IUAVCKLNJLPAGR-NSHDSACASA-N 0 0 241.350 3.535 20 0 BHADRN CCCCCN[C@H](c1ccc(C)o1)C(F)(F)F ZINC000680011707 487508990 /nfs/dbraw/zinc/50/89/90/487508990.db2.gz CHGCYPGLVPYZSB-LLVKDONJSA-N 0 0 249.276 3.971 20 0 BHADRN CCCCCN[C@@H](c1ccc(C)o1)C(F)(F)F ZINC000680011710 487509176 /nfs/dbraw/zinc/50/91/76/487509176.db2.gz CHGCYPGLVPYZSB-NSHDSACASA-N 0 0 249.276 3.971 20 0 BHADRN Cc1ccc([C@@H](NCCC(C)C)C(F)(F)F)o1 ZINC000680011950 487517831 /nfs/dbraw/zinc/51/78/31/487517831.db2.gz LDPOONSSNRXEKM-LLVKDONJSA-N 0 0 249.276 3.827 20 0 BHADRN Cc1ccc([C@H](NCCC(C)C)C(F)(F)F)o1 ZINC000680011951 487508881 /nfs/dbraw/zinc/50/88/81/487508881.db2.gz LDPOONSSNRXEKM-NSHDSACASA-N 0 0 249.276 3.827 20 0 BHADRN CC[C@@H](C)CCCCC(=O)NCc1ccco1 ZINC000680015838 487517934 /nfs/dbraw/zinc/51/79/34/487517934.db2.gz NDCPSYNPMXVFAH-GFCCVEGCSA-N 0 0 237.343 3.502 20 0 BHADRN CC[C@H](C)CCCCC(=O)NCc1ccco1 ZINC000680015839 487517940 /nfs/dbraw/zinc/51/79/40/487517940.db2.gz NDCPSYNPMXVFAH-LBPRGKRZSA-N 0 0 237.343 3.502 20 0 BHADRN CC[C@@H](C)CCCCC(=O)NC(C)(C)CC ZINC000680015931 487517891 /nfs/dbraw/zinc/51/78/91/487517891.db2.gz BFUOCKNDBKFMGW-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CC[C@H](C)CCCCC(=O)NC(C)(C)CC ZINC000680015933 487517796 /nfs/dbraw/zinc/51/77/96/487517796.db2.gz BFUOCKNDBKFMGW-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCC[C@@H](C)NC(=O)CCCC[C@H](C)CC ZINC000680015934 487517928 /nfs/dbraw/zinc/51/79/28/487517928.db2.gz BHXZMEZWUPHSJB-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCC[C@H](C)NC(=O)CCCC[C@H](C)CC ZINC000680015936 487517855 /nfs/dbraw/zinc/51/78/55/487517855.db2.gz 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CC[C@@H]1CC[C@@H](C)N1c1ncc(Cl)s1 ZINC000680897674 487668899 /nfs/dbraw/zinc/66/88/99/487668899.db2.gz CIPRBQIPVWLCRP-HTQZYQBOSA-N 0 0 230.764 3.564 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1ncc(Cl)s1 ZINC000680897675 487668477 /nfs/dbraw/zinc/66/84/77/487668477.db2.gz CIPRBQIPVWLCRP-JGVFFNPUSA-N 0 0 230.764 3.564 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1ncc(Cl)s1 ZINC000680897676 487668357 /nfs/dbraw/zinc/66/83/57/487668357.db2.gz CIPRBQIPVWLCRP-SFYZADRCSA-N 0 0 230.764 3.564 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1ncc(Cl)s1 ZINC000680897677 487668404 /nfs/dbraw/zinc/66/84/04/487668404.db2.gz CIPRBQIPVWLCRP-YUMQZZPRSA-N 0 0 230.764 3.564 20 0 BHADRN CC(C)C[C@H](C)C(=O)N1C2CCCC1CCC2 ZINC000680899171 487669810 /nfs/dbraw/zinc/66/98/10/487669810.db2.gz QHWPCZLZYSTFMG-HSBZDZAISA-N 0 0 237.387 3.602 20 0 BHADRN CC(C)C[C@@H](C)C(=O)N1C2CCCC1CCC2 ZINC000680899175 487669503 /nfs/dbraw/zinc/66/95/03/487669503.db2.gz QHWPCZLZYSTFMG-IYXRBSQSSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1CCN(CC(F)F)CC12CCCCC2 ZINC000680901082 487669508 /nfs/dbraw/zinc/66/95/08/487669508.db2.gz DHCGPFOXYIYPEV-LLVKDONJSA-N 0 0 231.330 3.544 20 0 BHADRN C[C@H]1CCN(CC(F)F)CC12CCCCC2 ZINC000680901095 487669959 /nfs/dbraw/zinc/66/99/59/487669959.db2.gz DHCGPFOXYIYPEV-NSHDSACASA-N 0 0 231.330 3.544 20 0 BHADRN Cc1cc(C)c(NC(=O)[C@H](C)CC(C)C)cc1O ZINC000680937944 487675609 /nfs/dbraw/zinc/67/56/09/487675609.db2.gz ZQUXHZLURSLOLU-GFCCVEGCSA-N 0 0 249.354 3.630 20 0 BHADRN Cc1cc(C)c(NC(=O)[C@@H](C)CC(C)C)cc1O ZINC000680937945 487675477 /nfs/dbraw/zinc/67/54/77/487675477.db2.gz ZQUXHZLURSLOLU-LBPRGKRZSA-N 0 0 249.354 3.630 20 0 BHADRN CCC[C@H](C)NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000680948995 487676695 /nfs/dbraw/zinc/67/66/95/487676695.db2.gz PIYBNYMAWHCUPM-XQQFMLRXSA-N 0 0 237.387 3.530 20 0 BHADRN CCC[C@H](C)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000680948996 487676853 /nfs/dbraw/zinc/67/68/53/487676853.db2.gz PIYBNYMAWHCUPM-YNEHKIRRSA-N 0 0 237.387 3.530 20 0 BHADRN CCc1cc(C)nc(Oc2ccc(C)c(C)c2)n1 ZINC000680950343 487676897 /nfs/dbraw/zinc/67/68/97/487676897.db2.gz ACENJOPOQSCWCA-UHFFFAOYSA-N 0 0 242.322 3.757 20 0 BHADRN CCc1cc(C)nc(SC2CCCCC2)n1 ZINC000680950417 487676881 /nfs/dbraw/zinc/67/68/81/487676881.db2.gz DBKQXKMITMSBPZ-UHFFFAOYSA-N 0 0 236.384 3.772 20 0 BHADRN CCc1cccc(Oc2nc(C)cc(CC)n2)c1 ZINC000680950680 487676938 /nfs/dbraw/zinc/67/69/38/487676938.db2.gz KVBFXUAYIPGJRQ-UHFFFAOYSA-N 0 0 242.322 3.702 20 0 BHADRN CCc1cc(C)nc(Oc2ccc(Cl)cc2)n1 ZINC000680950911 487676590 /nfs/dbraw/zinc/67/65/90/487676590.db2.gz RMAPRJOOCXGCST-UHFFFAOYSA-N 0 0 248.713 3.793 20 0 BHADRN CCc1cc(C)nc(Sc2ccc(F)cc2)n1 ZINC000680951129 487676823 /nfs/dbraw/zinc/67/68/23/487676823.db2.gz SQJGQHGEZNWCMN-UHFFFAOYSA-N 0 0 248.326 3.638 20 0 BHADRN CCc1cc(C)nc(Sc2ccccc2F)n1 ZINC000680951147 487676688 /nfs/dbraw/zinc/67/66/88/487676688.db2.gz UOJBYJUZPGGNLG-UHFFFAOYSA-N 0 0 248.326 3.638 20 0 BHADRN CCc1cc(C)nc(Oc2cc(C)ccc2C)n1 ZINC000680951298 487676887 /nfs/dbraw/zinc/67/68/87/487676887.db2.gz YLWTYFUAHBTGJP-UHFFFAOYSA-N 0 0 242.322 3.757 20 0 BHADRN CCc1cc(C)nc(Oc2cccc(Cl)c2)n1 ZINC000680951326 487676802 /nfs/dbraw/zinc/67/68/02/487676802.db2.gz ZCDUOMSMMLDIFU-UHFFFAOYSA-N 0 0 248.713 3.793 20 0 BHADRN CCc1cc(C)nc(SC(CC)CC)n1 ZINC000680955759 487678630 /nfs/dbraw/zinc/67/86/30/487678630.db2.gz ZRTDCXOWXFERPQ-UHFFFAOYSA-N 0 0 224.373 3.628 20 0 BHADRN CCc1cc(C)nc(Oc2ccc(F)c(C)c2)n1 ZINC000680956676 487679152 /nfs/dbraw/zinc/67/91/52/487679152.db2.gz KACFDGDZYCQIPE-UHFFFAOYSA-N 0 0 246.285 3.587 20 0 BHADRN CCc1cc(C)nc(Sc2cccc(F)c2)n1 ZINC000680958749 487679765 /nfs/dbraw/zinc/67/97/65/487679765.db2.gz ZWKZUUJWBIECEE-UHFFFAOYSA-N 0 0 248.326 3.638 20 0 BHADRN CCC[C@H]1CCCCN1c1nc(C)cc(CC)n1 ZINC000680960921 487681620 /nfs/dbraw/zinc/68/16/20/487681620.db2.gz GEPGCDQVOSCTCW-AWEZNQCLSA-N 0 0 247.386 3.506 20 0 BHADRN CCC[C@@H]1CCCCN1c1nc(C)cc(CC)n1 ZINC000680960923 487681811 /nfs/dbraw/zinc/68/18/11/487681811.db2.gz GEPGCDQVOSCTCW-CQSZACIVSA-N 0 0 247.386 3.506 20 0 BHADRN Cc1ccc(C(C)C)c(OCC(F)F)c1 ZINC000680968455 487684336 /nfs/dbraw/zinc/68/43/36/487684336.db2.gz MZXUUHPUZKUSHP-UHFFFAOYSA-N 0 0 214.255 3.762 20 0 BHADRN Cc1cc(OCC(F)F)cc(C)c1Cl ZINC000680968800 487684247 /nfs/dbraw/zinc/68/42/47/487684247.db2.gz FLIRIEZRMDHFLB-UHFFFAOYSA-N 0 0 220.646 3.601 20 0 BHADRN FC(F)CSc1cccc2cccnc21 ZINC000680969570 487684331 /nfs/dbraw/zinc/68/43/31/487684331.db2.gz PDGJDMBHSLPVOZ-UHFFFAOYSA-N 0 0 225.263 3.592 20 0 BHADRN CCC(=O)c1cc(Cl)ccc1OCC(F)F ZINC000680969583 487684159 /nfs/dbraw/zinc/68/41/59/487684159.db2.gz PWYYXQGTGXOFDZ-UHFFFAOYSA-N 0 0 248.656 3.577 20 0 BHADRN CC(C)(C)c1cccc(OCC(F)F)c1 ZINC000680971277 487684966 /nfs/dbraw/zinc/68/49/66/487684966.db2.gz YFKMQYMDBISGNY-UHFFFAOYSA-N 0 0 214.255 3.628 20 0 BHADRN O=C(NCCC1=CCCCCC1)[C@@H]1CC12CCC2 ZINC000680978856 487686343 /nfs/dbraw/zinc/68/63/43/487686343.db2.gz SWDOOYBEBRAHOA-AWEZNQCLSA-N 0 0 247.382 3.573 20 0 BHADRN O=C(NCCC1=CCCCCC1)[C@H]1CC12CCC2 ZINC000680978858 487686310 /nfs/dbraw/zinc/68/63/10/487686310.db2.gz SWDOOYBEBRAHOA-CQSZACIVSA-N 0 0 247.382 3.573 20 0 BHADRN CCC[C@H](C)NC(=O)c1c(C)oc2ccccc21 ZINC000680988454 487686889 /nfs/dbraw/zinc/68/68/89/487686889.db2.gz CPNVELKCIVGWKD-JTQLQIEISA-N 0 0 245.322 3.660 20 0 BHADRN CCC[C@@H](C)NC(=O)c1c(C)oc2ccccc21 ZINC000680988470 487791663 /nfs/dbraw/zinc/79/16/63/487791663.db2.gz CPNVELKCIVGWKD-SNVBAGLBSA-N 0 0 245.322 3.660 20 0 BHADRN CCC(C)(CC)C(=O)N(C)Cc1cccs1 ZINC000680988476 487791669 /nfs/dbraw/zinc/79/16/69/487791669.db2.gz CSBCTMXFANEPTI-UHFFFAOYSA-N 0 0 239.384 3.533 20 0 BHADRN CCOc1ccc(NC(=O)C(C)(CC)CC)cc1 ZINC000680988709 487686830 /nfs/dbraw/zinc/68/68/30/487686830.db2.gz IISYEBSGYIIMJX-UHFFFAOYSA-N 0 0 249.354 3.850 20 0 BHADRN CCC(C)(CC)C(=O)NCC1CCCCC1 ZINC000680989015 487687969 /nfs/dbraw/zinc/68/79/69/487687969.db2.gz PPBVDQBHVPQNAE-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC[C@H](C)NC(=O)c1cccc2ccsc21 ZINC000680989423 487687951 /nfs/dbraw/zinc/68/79/51/487687951.db2.gz RXROECHLAKWKAB-JTQLQIEISA-N 0 0 247.363 3.820 20 0 BHADRN CCC[C@@H](C)NC(=O)c1cccc2ccsc21 ZINC000680989426 487688192 /nfs/dbraw/zinc/68/81/92/487688192.db2.gz RXROECHLAKWKAB-SNVBAGLBSA-N 0 0 247.363 3.820 20 0 BHADRN CCC(C)(CC)C(=O)Nc1ccc(F)c(F)c1 ZINC000680989461 487688386 /nfs/dbraw/zinc/68/83/86/487688386.db2.gz SWLIUJXPNMHUAE-UHFFFAOYSA-N 0 0 241.281 3.730 20 0 BHADRN CCC(C)(CC)C(=O)N1CCCc2ccccc21 ZINC000680989490 487688102 /nfs/dbraw/zinc/68/81/02/487688102.db2.gz UQPOKAVIIUAWEL-UHFFFAOYSA-N 0 0 245.366 3.792 20 0 BHADRN CCC(C)(CC)C(=O)Nc1ccc(C)c(F)c1 ZINC000680989552 487688521 /nfs/dbraw/zinc/68/85/21/487688521.db2.gz VSEMCMBNHWRBEY-UHFFFAOYSA-N 0 0 237.318 3.899 20 0 BHADRN CCC(C)(CC)C(=O)N[C@H](C)CCC(C)C ZINC000680989602 487688500 /nfs/dbraw/zinc/68/85/00/487688500.db2.gz ZACJGQNHAVVAOP-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H](C)CCC(C)C ZINC000680989603 487688264 /nfs/dbraw/zinc/68/82/64/487688264.db2.gz ZACJGQNHAVVAOP-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CCC(C)(CC)C(=O)Nc1ccc2c(c1)CCC2 ZINC000680992429 487688118 /nfs/dbraw/zinc/68/81/18/487688118.db2.gz JJBAVGHHTNDUQN-UHFFFAOYSA-N 0 0 245.366 3.940 20 0 BHADRN CCC(C)(CC)C(=O)NCCC1CCCCC1 ZINC000680992717 487687943 /nfs/dbraw/zinc/68/79/43/487687943.db2.gz OYPMFAQURILLSM-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@@H](C)c1ccccc1 ZINC000680992873 487687964 /nfs/dbraw/zinc/68/79/64/487687964.db2.gz UJISVWKAEKPMKT-CYBMUJFWSA-N 0 0 247.382 3.733 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@H](C)c1ccccc1 ZINC000680992875 487687135 /nfs/dbraw/zinc/68/71/35/487687135.db2.gz UJISVWKAEKPMKT-ZDUSSCGKSA-N 0 0 247.382 3.733 20 0 BHADRN CCC(C)(CC)C(=O)NCCCC1CCCC1 ZINC000680993775 487688428 /nfs/dbraw/zinc/68/84/28/487688428.db2.gz PFYDHCAVZUTNSA-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC(C)(CC)C(=O)N(C)C1CCCCCC1 ZINC000680995225 487689297 /nfs/dbraw/zinc/68/92/97/487689297.db2.gz IQBGPKKGYPXSHL-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CCC(C)(CC)C(=O)Nc1cc(F)cc(F)c1 ZINC000680995348 487689203 /nfs/dbraw/zinc/68/92/03/487689203.db2.gz KQTGBESTAROMGG-UHFFFAOYSA-N 0 0 241.281 3.730 20 0 BHADRN CCC(C)(CC)C(=O)N(C)CC1CCCCC1 ZINC000680995350 487689173 /nfs/dbraw/zinc/68/91/73/487689173.db2.gz KSUPSRKWRCPKFU-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000680995702 487689568 /nfs/dbraw/zinc/68/95/68/487689568.db2.gz DLFZMYABERUNME-FRRDWIJNSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000680995703 487688860 /nfs/dbraw/zinc/68/88/60/487688860.db2.gz DLFZMYABERUNME-JHJVBQTASA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000680995704 487687999 /nfs/dbraw/zinc/68/79/99/487687999.db2.gz DLFZMYABERUNME-RWMBFGLXSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000680995705 487688078 /nfs/dbraw/zinc/68/80/78/487688078.db2.gz DLFZMYABERUNME-YNEHKIRRSA-N 0 0 239.403 3.754 20 0 BHADRN CCC(C)(CC)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000680995778 487684050 /nfs/dbraw/zinc/68/40/50/487684050.db2.gz DDZDNPJJNHHUEF-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(C)(CC)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000680995779 487683893 /nfs/dbraw/zinc/68/38/93/487683893.db2.gz DDZDNPJJNHHUEF-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(C)(CC)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000680995780 487684726 /nfs/dbraw/zinc/68/47/26/487684726.db2.gz DDZDNPJJNHHUEF-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(C)(CC)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000680995781 487685082 /nfs/dbraw/zinc/68/50/82/487685082.db2.gz DDZDNPJJNHHUEF-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCC(C)(CC)C(=O)N(C)Cc1cccc(C)c1 ZINC000680995809 487689108 /nfs/dbraw/zinc/68/91/08/487689108.db2.gz FXIZIDHNHLQCFK-UHFFFAOYSA-N 0 0 247.382 3.780 20 0 BHADRN CCOc1cccc(NC(=O)C(C)(CC)CC)c1 ZINC000680995838 487688948 /nfs/dbraw/zinc/68/89/48/487688948.db2.gz ICKFOLSBPYECOS-UHFFFAOYSA-N 0 0 249.354 3.850 20 0 BHADRN CCC(C)(CC)C(=O)NCc1ccc(C)cc1C ZINC000680996068 487689544 /nfs/dbraw/zinc/68/95/44/487689544.db2.gz KPMKTACGZFEXQD-UHFFFAOYSA-N 0 0 247.382 3.746 20 0 BHADRN CCC(C)(CC)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000680996214 487689413 /nfs/dbraw/zinc/68/94/13/487689413.db2.gz QRIKGDVEASKLOD-CYBMUJFWSA-N 0 0 247.382 3.999 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000680996215 487689302 /nfs/dbraw/zinc/68/93/02/487689302.db2.gz QRIKGDVEASKLOD-ZDUSSCGKSA-N 0 0 247.382 3.999 20 0 BHADRN CCC(C)(CC)C(=O)N(C)C1CCC(C)CC1 ZINC000680996386 487689062 /nfs/dbraw/zinc/68/90/62/487689062.db2.gz YURWBULRZJFZOO-UHFFFAOYSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(C)(CC)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000680996446 487689039 /nfs/dbraw/zinc/68/90/39/487689039.db2.gz YKRVMARFVQFPQZ-GFCCVEGCSA-N 0 0 245.366 3.963 20 0 BHADRN CCC(C)(CC)C(=O)N1C[C@H](C)c2ccccc21 ZINC000680996447 487689226 /nfs/dbraw/zinc/68/92/26/487689226.db2.gz YKRVMARFVQFPQZ-LBPRGKRZSA-N 0 0 245.366 3.963 20 0 BHADRN CCC(C)(CC)C(=O)NCC1CCC(C)CC1 ZINC000680996553 487793852 /nfs/dbraw/zinc/79/38/52/487793852.db2.gz CBJDMRNJUVKTBN-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000680996555 487793821 /nfs/dbraw/zinc/79/38/21/487793821.db2.gz CFQIPHGSEUBDAC-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000680996556 487793861 /nfs/dbraw/zinc/79/38/61/487793861.db2.gz CFQIPHGSEUBDAC-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000680996557 487793841 /nfs/dbraw/zinc/79/38/41/487793841.db2.gz CFQIPHGSEUBDAC-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000680996558 487793806 /nfs/dbraw/zinc/79/38/06/487793806.db2.gz CFQIPHGSEUBDAC-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CCCN(CC(C)C)C(=O)C(C)(CC)CC ZINC000680996793 487690170 /nfs/dbraw/zinc/69/01/70/487690170.db2.gz SKPAYAHZNDGEAH-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000680996881 487690016 /nfs/dbraw/zinc/69/00/16/487690016.db2.gz WNXQWEATKIHKLW-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000680996882 487689441 /nfs/dbraw/zinc/68/94/41/487689441.db2.gz WNXQWEATKIHKLW-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000680996883 487689436 /nfs/dbraw/zinc/68/94/36/487689436.db2.gz WNXQWEATKIHKLW-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000680996884 487689467 /nfs/dbraw/zinc/68/94/67/487689467.db2.gz WNXQWEATKIHKLW-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)N1CCC(C)(CC)CC1 ZINC000680996913 487690054 /nfs/dbraw/zinc/69/00/54/487690054.db2.gz DIJBHOWSQDTKSV-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCC(C)(CC)C(=O)N1CCc2ccc(C)cc21 ZINC000680997209 487690127 /nfs/dbraw/zinc/69/01/27/487690127.db2.gz YYERTTSXNUJFTG-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN CCC(C)(CC)C(=O)Nc1ccc(F)c(C)c1 ZINC000680997583 487690068 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BHADRN CCC(C)(CC)C(=O)NCC12CCC(CC1)C2 ZINC000681002647 487797398 /nfs/dbraw/zinc/79/73/98/487797398.db2.gz UCLYNWZGFPOZPC-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN FC(F)COc1ccc(C2CCC2)cc1 ZINC000681003973 487694017 /nfs/dbraw/zinc/69/40/17/487694017.db2.gz BSYJBKBRIMHPAY-UHFFFAOYSA-N 0 0 212.239 3.598 20 0 BHADRN c1cc(COc2ccc(C3CCC3)cc2)on1 ZINC000681004620 487693371 /nfs/dbraw/zinc/69/33/71/487693371.db2.gz OVNBZCFMAGOKOX-UHFFFAOYSA-N 0 0 229.279 3.521 20 0 BHADRN CC/C=C\CC[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000681020415 487697305 /nfs/dbraw/zinc/69/73/05/487697305.db2.gz YLTJUWDAHGOKAG-PLNGDYQASA-N 0 0 233.355 3.909 20 0 BHADRN CC/C=C/CC[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000681020416 487697169 /nfs/dbraw/zinc/69/71/69/487697169.db2.gz YLTJUWDAHGOKAG-SNAWJCMRSA-N 0 0 233.355 3.909 20 0 BHADRN CC/C=C/CC[N@H+](CC)CCC(F)(F)F ZINC000681021129 487697074 /nfs/dbraw/zinc/69/70/74/487697074.db2.gz IVKHWGQWQBEUMO-AATRIKPKSA-N 0 0 223.282 3.617 20 0 BHADRN CC/C=C\CC[N@H+](CC)CCC(F)(F)F ZINC000681021130 487697443 /nfs/dbraw/zinc/69/74/43/487697443.db2.gz IVKHWGQWQBEUMO-WAYWQWQTSA-N 0 0 223.282 3.617 20 0 BHADRN CC/C=C/CCN(CCC)CC(F)(F)F ZINC000681021252 487698617 /nfs/dbraw/zinc/69/86/17/487698617.db2.gz RMOYRPOHGBSXJF-AATRIKPKSA-N 0 0 223.282 3.617 20 0 BHADRN CC/C=C\CCN(CCC)CC(F)(F)F ZINC000681021254 487698451 /nfs/dbraw/zinc/69/84/51/487698451.db2.gz RMOYRPOHGBSXJF-WAYWQWQTSA-N 0 0 223.282 3.617 20 0 BHADRN CCC(C)(CC)c1nc(-c2ccsc2)no1 ZINC000681022701 487698469 /nfs/dbraw/zinc/69/84/69/487698469.db2.gz AZLWDOIBNYHWIE-UHFFFAOYSA-N 0 0 236.340 3.876 20 0 BHADRN CCC(C)(CC)c1nc(-c2cccs2)no1 ZINC000681022773 487697314 /nfs/dbraw/zinc/69/73/14/487697314.db2.gz FJPAGFYKXNDWAL-UHFFFAOYSA-N 0 0 236.340 3.876 20 0 BHADRN CCC(C)(CC)c1nc(-c2ccccc2)no1 ZINC000681022998 487698836 /nfs/dbraw/zinc/69/88/36/487698836.db2.gz GLHSBRHDIFGBOR-UHFFFAOYSA-N 0 0 230.311 3.814 20 0 BHADRN CCC(C)(CC)c1nc(-c2cccc(F)c2)no1 ZINC000681023025 487699069 /nfs/dbraw/zinc/69/90/69/487699069.db2.gz 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ZINC000681323755 487776900 /nfs/dbraw/zinc/77/69/00/487776900.db2.gz UTQWJWPRQLYEMW-GFCCVEGCSA-N 0 0 239.403 3.610 20 0 BHADRN CC(C)C(NC(=O)[C@@H]1CCCC1(C)C)C(C)C ZINC000681323756 487776500 /nfs/dbraw/zinc/77/65/00/487776500.db2.gz UTQWJWPRQLYEMW-LBPRGKRZSA-N 0 0 239.403 3.610 20 0 BHADRN Cc1cccc(NC(=O)[C@H](C)CC(C)(C)C)c1O ZINC000681347901 487781915 /nfs/dbraw/zinc/78/19/15/487781915.db2.gz VEDFJHHBNSNCSX-LLVKDONJSA-N 0 0 249.354 3.711 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](C)CC(C)(C)C)c1O ZINC000681347904 487780779 /nfs/dbraw/zinc/78/07/79/487780779.db2.gz VEDFJHHBNSNCSX-NSHDSACASA-N 0 0 249.354 3.711 20 0 BHADRN C/C(=C\c1cscc1Cl)c1cnccn1 ZINC000681357238 487782885 /nfs/dbraw/zinc/78/28/85/487782885.db2.gz FOMNJZORVDJLAI-XBXARRHUSA-N 0 0 236.727 3.752 20 0 BHADRN C/C(=C/c1cscc1Cl)c1cnccn1 ZINC000681357239 487782581 /nfs/dbraw/zinc/78/25/81/487782581.db2.gz FOMNJZORVDJLAI-YWEYNIOJSA-N 0 0 236.727 3.752 20 0 BHADRN CCCc1cccc(CNc2cc(CC)on2)c1 ZINC000681357829 487783903 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/nfs/dbraw/zinc/78/36/63/487783663.db2.gz ZAFCJMKWEMQPBX-VXGBXAGGSA-N 0 0 234.343 3.877 20 0 BHADRN CC(C)c1ccc(Cn2ccnn2)c(C(C)C)c1 ZINC000681359872 487783871 /nfs/dbraw/zinc/78/38/71/487783871.db2.gz WZKFELXFDDAFQP-UHFFFAOYSA-N 0 0 243.354 3.573 20 0 BHADRN CC(C)c1noc([C@H](C)CC(C)(C)C)n1 ZINC000681360123 487783908 /nfs/dbraw/zinc/78/39/08/487783908.db2.gz RPQUNMKCMDZNJS-SECBINFHSA-N 0 0 210.321 3.733 20 0 BHADRN CC(C)c1noc([C@@H](C)CC(C)(C)C)n1 ZINC000681360124 487784059 /nfs/dbraw/zinc/78/40/59/487784059.db2.gz RPQUNMKCMDZNJS-VIFPVBQESA-N 0 0 210.321 3.733 20 0 BHADRN CCC(C)(CC)C(=O)Nc1cccc2cc[nH]c21 ZINC000681365328 487785985 /nfs/dbraw/zinc/78/59/85/487785985.db2.gz FNIURKLKCKXCSF-UHFFFAOYSA-N 0 0 244.338 3.933 20 0 BHADRN CC(C)c1cccc(CNCc2nccs2)c1 ZINC000681367438 487786840 /nfs/dbraw/zinc/78/68/40/487786840.db2.gz AUQAPVUQEHWRMJ-UHFFFAOYSA-N 0 0 246.379 3.556 20 0 BHADRN COCc1ccc(SCCC2CC2)cc1 ZINC000681371036 487787655 /nfs/dbraw/zinc/78/76/55/487787655.db2.gz CTRYAJUNBSRVIA-UHFFFAOYSA-N 0 0 222.353 3.725 20 0 BHADRN Cc1occc1S[C@@H](C)c1ccncc1 ZINC000681371039 487787698 /nfs/dbraw/zinc/78/76/98/487787698.db2.gz CUTHZEBILIHXRK-JTQLQIEISA-N 0 0 219.309 3.836 20 0 BHADRN Cc1occc1S[C@H](C)c1ccncc1 ZINC000681371043 487787733 /nfs/dbraw/zinc/78/77/33/487787733.db2.gz CUTHZEBILIHXRK-SNVBAGLBSA-N 0 0 219.309 3.836 20 0 BHADRN Cc1occc1SC1Cc2ccccc2C1 ZINC000681371066 487787618 /nfs/dbraw/zinc/78/76/18/487787618.db2.gz DRNHWSBWWVHGPW-UHFFFAOYSA-N 0 0 230.332 3.848 20 0 BHADRN Cc1occc1SCc1cccc(N(C)C)c1 ZINC000681371588 487787761 /nfs/dbraw/zinc/78/77/61/487787761.db2.gz QDDXPUWTNVQIAG-UHFFFAOYSA-N 0 0 247.363 3.946 20 0 BHADRN Cc1occc1SCc1ccc(C)cn1 ZINC000681371606 487787650 /nfs/dbraw/zinc/78/76/50/487787650.db2.gz RBLJPCXYDXNJLG-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN Cc1occc1SCCCOC(C)(C)C ZINC000681371650 487787321 /nfs/dbraw/zinc/78/73/21/487787321.db2.gz UEAQJNXQHKETNW-UHFFFAOYSA-N 0 0 228.357 3.885 20 0 BHADRN CC(C)[C@]1(C)C[C@@H]1C(=O)N1C2CCCC1CCC2 ZINC000681383227 487789894 /nfs/dbraw/zinc/78/98/94/487789894.db2.gz QUZNLUDVAVWYLS-MNSOJDNVSA-N 0 0 249.398 3.602 20 0 BHADRN CC(C)[C@]1(C)C[C@H]1C(=O)N1C2CCCC1CCC2 ZINC000681383228 487789828 /nfs/dbraw/zinc/78/98/28/487789828.db2.gz QUZNLUDVAVWYLS-UJJWPFCGSA-N 0 0 249.398 3.602 20 0 BHADRN CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C2CCCC1CCC2 ZINC000681383231 487790025 /nfs/dbraw/zinc/79/00/25/487790025.db2.gz QUZNLUDVAVWYLS-UWTIDYAISA-N 0 0 249.398 3.602 20 0 BHADRN CC(C)[C@@]1(C)C[C@H]1C(=O)N1C2CCCC1CCC2 ZINC000681383232 487789966 /nfs/dbraw/zinc/78/99/66/487789966.db2.gz QUZNLUDVAVWYLS-VKJZCYHPSA-N 0 0 249.398 3.602 20 0 BHADRN O=C(C1=CCCCCC1)N1C2CCCC1CCC2 ZINC000681383793 487790133 /nfs/dbraw/zinc/79/01/33/487790133.db2.gz UUNBGCIFVXUQKP-UHFFFAOYSA-N 0 0 247.382 3.811 20 0 BHADRN C[C@@H](Nc1cccc2cc[nH]c21)c1ccccn1 ZINC000681399131 487792238 /nfs/dbraw/zinc/79/22/38/487792238.db2.gz NONGEZMDRRYCKN-LLVKDONJSA-N 0 0 237.306 3.736 20 0 BHADRN C[C@H](Nc1cccc2cc[nH]c21)c1ccccn1 ZINC000681399133 487792787 /nfs/dbraw/zinc/79/27/87/487792787.db2.gz NONGEZMDRRYCKN-NSHDSACASA-N 0 0 237.306 3.736 20 0 BHADRN C[C@@H](c1cccc(Cl)c1F)N1CC=CCC1 ZINC000681410338 487795829 /nfs/dbraw/zinc/79/58/29/487795829.db2.gz PODPAQQUUMTQGX-JTQLQIEISA-N 0 0 239.721 3.802 20 0 BHADRN C[C@H](c1cccc(Cl)c1F)N1CC=CCC1 ZINC000681410339 487795294 /nfs/dbraw/zinc/79/52/94/487795294.db2.gz PODPAQQUUMTQGX-SNVBAGLBSA-N 0 0 239.721 3.802 20 0 BHADRN CC(C)C(NC(=O)C1=CCCCCC1)C(C)C ZINC000681479058 487803482 /nfs/dbraw/zinc/80/34/82/487803482.db2.gz TWIYWTWUNHMZSS-UHFFFAOYSA-N 0 0 237.387 3.674 20 0 BHADRN Fc1cccnc1NCc1ccccc1C1CC1 ZINC000681548650 487812461 /nfs/dbraw/zinc/81/24/61/487812461.db2.gz QAYKCTWRFDEXFB-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN FC(F)COc1cc(Cl)cc2cccnc21 ZINC000681592512 487818498 /nfs/dbraw/zinc/81/84/98/487818498.db2.gz QUAXKBUWUPLDIU-UHFFFAOYSA-N 0 0 243.640 3.532 20 0 BHADRN C[C@H]1C[C@H]1C(=O)N(CC(C)(C)C)c1ccccc1 ZINC000681614286 487824770 /nfs/dbraw/zinc/82/47/70/487824770.db2.gz UNVYRZNOJVVIKA-GXTWGEPZSA-N 0 0 245.366 3.722 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)N(CC(C)(C)C)c1ccccc1 ZINC000681614287 487824186 /nfs/dbraw/zinc/82/41/86/487824186.db2.gz UNVYRZNOJVVIKA-JSGCOSHPSA-N 0 0 245.366 3.722 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)N(CC(C)(C)C)c1ccccc1 ZINC000681614288 487823603 /nfs/dbraw/zinc/82/36/03/487823603.db2.gz UNVYRZNOJVVIKA-OCCSQVGLSA-N 0 0 245.366 3.722 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)N(CC(C)(C)C)c1ccccc1 ZINC000681614289 487823808 /nfs/dbraw/zinc/82/38/08/487823808.db2.gz UNVYRZNOJVVIKA-TZMCWYRMSA-N 0 0 245.366 3.722 20 0 BHADRN CCC1(CC)CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000681628936 487826935 /nfs/dbraw/zinc/82/69/35/487826935.db2.gz OTJQTJDCTCMQMB-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(CC)CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000681628937 487826985 /nfs/dbraw/zinc/82/69/85/487826985.db2.gz OTJQTJDCTCMQMB-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(C[C@H]1C=CCCC1)N1C2CCCC1CCC2 ZINC000681662685 487833981 /nfs/dbraw/zinc/83/39/81/487833981.db2.gz CQGCGWXCDUEARA-NFOMZHRRSA-N 0 0 247.382 3.666 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)N1C2CCCC1CCC2 ZINC000681662686 487833931 /nfs/dbraw/zinc/83/39/31/487833931.db2.gz CQGCGWXCDUEARA-WLYUNCDWSA-N 0 0 247.382 3.666 20 0 BHADRN CC(C)C(NC(=O)C[C@@H]1C=CCCC1)C(C)C ZINC000681667583 487835029 /nfs/dbraw/zinc/83/50/29/487835029.db2.gz MXCNRWQKSYTODI-CYBMUJFWSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)C(NC(=O)C[C@H]1C=CCCC1)C(C)C ZINC000681667588 487834750 /nfs/dbraw/zinc/83/47/50/487834750.db2.gz MXCNRWQKSYTODI-ZDUSSCGKSA-N 0 0 237.387 3.530 20 0 BHADRN C[C@H](CC1CCC1)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000681743250 487520144 /nfs/dbraw/zinc/52/01/44/487520144.db2.gz HSXZGYSNYGWZDQ-NEPJUHHUSA-N 0 0 247.386 3.845 20 0 BHADRN C[C@H](C1CC1)n1cc(N[C@@H](C)CC2CCC2)cn1 ZINC000681743251 487520470 /nfs/dbraw/zinc/52/04/70/487520470.db2.gz HSXZGYSNYGWZDQ-NWDGAFQWSA-N 0 0 247.386 3.845 20 0 BHADRN C[C@@H](CC1CCC1)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000681743252 487520183 /nfs/dbraw/zinc/52/01/83/487520183.db2.gz HSXZGYSNYGWZDQ-RYUDHWBXSA-N 0 0 247.386 3.845 20 0 BHADRN C[C@H](CC1CCC1)Nc1cnn([C@H](C)C2CC2)c1 ZINC000681743253 487520129 /nfs/dbraw/zinc/52/01/29/487520129.db2.gz HSXZGYSNYGWZDQ-VXGBXAGGSA-N 0 0 247.386 3.845 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000681747951 487852400 /nfs/dbraw/zinc/85/24/00/487852400.db2.gz AYXPDOSRSJWJQI-BARDWOONSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000681747953 487852504 /nfs/dbraw/zinc/85/25/04/487852504.db2.gz AYXPDOSRSJWJQI-KBUPBQIOSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000681747955 487852398 /nfs/dbraw/zinc/85/23/98/487852398.db2.gz AYXPDOSRSJWJQI-LXTVHRRPSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000681747957 487852229 /nfs/dbraw/zinc/85/22/29/487852229.db2.gz AYXPDOSRSJWJQI-TUVASFSCSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)OC1CC(Nc2ccc(C3CC3)cc2)C1 ZINC000681750637 487852993 /nfs/dbraw/zinc/85/29/93/487852993.db2.gz CTPRMWCPQLQBLH-UHFFFAOYSA-N 0 0 245.366 3.932 20 0 BHADRN CCC(CC)(CC)C(=O)N1CC2(C1)CCCC2 ZINC000681756690 487856173 /nfs/dbraw/zinc/85/61/73/487856173.db2.gz QRMJGDSCIRSUNY-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1cccc(-c2nnc(SCC(C)C)o2)c1 ZINC000681943823 487871364 /nfs/dbraw/zinc/87/13/64/487871364.db2.gz QTZNTBGXFHQEEX-UHFFFAOYSA-N 0 0 248.351 3.793 20 0 BHADRN CC(C)(C)CCCSc1nnc2ccccn21 ZINC000681957629 487872142 /nfs/dbraw/zinc/87/21/42/487872142.db2.gz YVFMJTUTIUIYHL-UHFFFAOYSA-N 0 0 249.383 3.648 20 0 BHADRN CCCSc1ccnc2c(OC)cccc12 ZINC000681958750 487871926 /nfs/dbraw/zinc/87/19/26/487871926.db2.gz KNGDEOQERNOPFL-UHFFFAOYSA-N 0 0 233.336 3.746 20 0 BHADRN C/C=C\CSc1ccnc2c(OC)cccc12 ZINC000681959657 487872875 /nfs/dbraw/zinc/87/28/75/487872875.db2.gz XBYADSXPNRLQGY-ARJAWSKDSA-N 0 0 245.347 3.912 20 0 BHADRN C/C=C/CSc1ccnc2c(OC)cccc12 ZINC000681959658 487872948 /nfs/dbraw/zinc/87/29/48/487872948.db2.gz XBYADSXPNRLQGY-ONEGZZNKSA-N 0 0 245.347 3.912 20 0 BHADRN COc1cccc2c(SCC3CC3)ccnc12 ZINC000681959695 487873271 /nfs/dbraw/zinc/87/32/71/487873271.db2.gz YUGUQVOHRJLWDU-UHFFFAOYSA-N 0 0 245.347 3.746 20 0 BHADRN Cc1cc(C(=O)N(C2CC2)C2CCCCC2)co1 ZINC000681975098 487874154 /nfs/dbraw/zinc/87/41/54/487874154.db2.gz CUGXIQKSJHDKRK-UHFFFAOYSA-N 0 0 247.338 3.525 20 0 BHADRN CC[C@H](NC(=O)c1coc(C)c1)C1CCCCC1 ZINC000681981663 487874697 /nfs/dbraw/zinc/87/46/97/487874697.db2.gz RTXPDCAFVUAAIG-AWEZNQCLSA-N 0 0 249.354 3.677 20 0 BHADRN CC[C@@H](NC(=O)c1coc(C)c1)C1CCCCC1 ZINC000681981664 487874527 /nfs/dbraw/zinc/87/45/27/487874527.db2.gz RTXPDCAFVUAAIG-CQSZACIVSA-N 0 0 249.354 3.677 20 0 BHADRN Cc1cc(Nc2ccc(C3CC3)cc2)nc(C)n1 ZINC000681988723 487875701 /nfs/dbraw/zinc/87/57/01/487875701.db2.gz DSVJQLYKCNIKDQ-UHFFFAOYSA-N 0 0 239.322 3.714 20 0 BHADRN CC(C)[C@@H]1CCCN(c2ncc(Cl)s2)C1 ZINC000681999539 487877907 /nfs/dbraw/zinc/87/79/07/487877907.db2.gz RMGCKLHWFSPKNU-SECBINFHSA-N 0 0 244.791 3.669 20 0 BHADRN CC(C)[C@H]1CCCN(c2ncc(Cl)s2)C1 ZINC000681999540 487878089 /nfs/dbraw/zinc/87/80/89/487878089.db2.gz RMGCKLHWFSPKNU-VIFPVBQESA-N 0 0 244.791 3.669 20 0 BHADRN CCC(C)(CC)C(=O)N1CCC[C@@H](C(C)C)C1 ZINC000682020658 487878792 /nfs/dbraw/zinc/87/87/92/487878792.db2.gz LGRAEXIEJMPADS-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(C)(CC)C(=O)N1CCC[C@H](C(C)C)C1 ZINC000682020659 487879141 /nfs/dbraw/zinc/87/91/41/487879141.db2.gz LGRAEXIEJMPADS-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CCC(CC)(CC)C(=O)NCC1CC(C)(C)C1 ZINC000682025411 487880992 /nfs/dbraw/zinc/88/09/92/487880992.db2.gz GWQXKFUPECEVQA-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN Cc1noc(C)c1N(C)CCCC(C)(C)C ZINC000682028705 487882552 /nfs/dbraw/zinc/88/25/52/487882552.db2.gz CXOKMYJOOFFITG-UHFFFAOYSA-N 0 0 224.348 3.554 20 0 BHADRN CC(C)(C)CCCN1CCC[C@H]1C(F)F ZINC000682029231 487884126 /nfs/dbraw/zinc/88/41/26/487884126.db2.gz JKVRISOGDHCLJC-JTQLQIEISA-N 0 0 219.319 3.542 20 0 BHADRN CCC[C@H](C)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC000682077359 487901858 /nfs/dbraw/zinc/90/18/58/487901858.db2.gz NWWYCGREECXRSE-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@H](C)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC000682077360 487902015 /nfs/dbraw/zinc/90/20/15/487902015.db2.gz NWWYCGREECXRSE-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN O=C(NCCC1CCCCC1)C1=CCCCC1 ZINC000682079042 487904034 /nfs/dbraw/zinc/90/40/34/487904034.db2.gz DLQHUTSXQBOKJW-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN O=C(C1=CCCCC1)N(C1CC1)C1CCCCC1 ZINC000682079071 487904052 /nfs/dbraw/zinc/90/40/52/487904052.db2.gz FTSSHMGZYFNNKH-UHFFFAOYSA-N 0 0 247.382 3.811 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N(C)CCC(C)C)CC1 ZINC000682079139 487903177 /nfs/dbraw/zinc/90/31/77/487903177.db2.gz JIZXBETWNPMUGW-HDJSIYSDSA-N 0 0 239.403 3.707 20 0 BHADRN CC[C@H](NC(=O)C1=CCCCC1)C1CCCCC1 ZINC000682080783 487904463 /nfs/dbraw/zinc/90/44/63/487904463.db2.gz QDJAUEPXIFIJLP-HNNXBMFYSA-N 0 0 249.398 3.962 20 0 BHADRN CC[C@@H](NC(=O)C1=CCCCC1)C1CCCCC1 ZINC000682080784 487904875 /nfs/dbraw/zinc/90/48/75/487904875.db2.gz QDJAUEPXIFIJLP-OAHLLOKOSA-N 0 0 249.398 3.962 20 0 BHADRN CC1(C(=O)N2C3CCCC2CCC3)CCCCC1 ZINC000682085205 487905779 /nfs/dbraw/zinc/90/57/79/487905779.db2.gz LREAQBREAHTBNU-UHFFFAOYSA-N 0 0 249.398 3.890 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@@H](C)C2CCC2)CC1 ZINC000682089628 487908772 /nfs/dbraw/zinc/90/87/72/487908772.db2.gz OPNSEKMZXOGYQF-OBJOEFQTSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)N[C@H](C)C2CCC2)CC1 ZINC000682089629 487995601 /nfs/dbraw/zinc/99/56/01/487995601.db2.gz OPNSEKMZXOGYQF-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@H](C)C1CCCC1 ZINC000682098425 487909895 /nfs/dbraw/zinc/90/98/95/487909895.db2.gz MIWQUSRDHLLJHB-GFCCVEGCSA-N 0 0 239.403 3.611 20 0 BHADRN CC(C)C(C)(C)CNC(=O)[C@@H](C)C1CCCC1 ZINC000682098426 487909494 /nfs/dbraw/zinc/90/94/94/487909494.db2.gz MIWQUSRDHLLJHB-LBPRGKRZSA-N 0 0 239.403 3.611 20 0 BHADRN CCC(C)(CC)C(=O)NCC(C)(C)C(C)C ZINC000682108728 487909950 /nfs/dbraw/zinc/90/99/50/487909950.db2.gz COZAHKAPONPRPC-UHFFFAOYSA-N 0 0 227.392 3.611 20 0 BHADRN CO[C@H](C)[C@@H](C)Nc1cccc(C(C)(F)F)c1 ZINC000682142397 487912812 /nfs/dbraw/zinc/91/28/12/487912812.db2.gz SBEQXXQZEGBUFO-NXEZZACHSA-N 0 0 243.297 3.634 20 0 BHADRN CO[C@@H](C)[C@H](C)Nc1cccc(C(C)(F)F)c1 ZINC000682142398 487912695 /nfs/dbraw/zinc/91/26/95/487912695.db2.gz SBEQXXQZEGBUFO-UWVGGRQHSA-N 0 0 243.297 3.634 20 0 BHADRN CO[C@H](C)[C@H](C)Nc1cccc(C(C)(F)F)c1 ZINC000682142399 487913357 /nfs/dbraw/zinc/91/33/57/487913357.db2.gz SBEQXXQZEGBUFO-VHSXEESVSA-N 0 0 243.297 3.634 20 0 BHADRN CO[C@@H](C)[C@@H](C)Nc1cccc(C(C)(F)F)c1 ZINC000682142400 487912618 /nfs/dbraw/zinc/91/26/18/487912618.db2.gz SBEQXXQZEGBUFO-ZJUUUORDSA-N 0 0 243.297 3.634 20 0 BHADRN CCCN(CCCC(C)C)CC(F)(F)F ZINC000682152753 487996753 /nfs/dbraw/zinc/99/67/53/487996753.db2.gz VVTLURYKDMTRLW-UHFFFAOYSA-N 0 0 225.298 3.697 20 0 BHADRN Cc1cccc2c1CCN2C(=O)C(C)(C)C(C)C ZINC000682202422 487926173 /nfs/dbraw/zinc/92/61/73/487926173.db2.gz KGSGRHQHZUCEIL-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1ccc2c(c1)N(C(=O)C(C)(C)C(C)C)CC2 ZINC000682202507 487926179 /nfs/dbraw/zinc/92/61/79/487926179.db2.gz LYZCXTVKOYUORO-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN CC(C)C(C)(C)C(=O)N1C2CCCC1CCC2 ZINC000682204116 487927028 /nfs/dbraw/zinc/92/70/28/487927028.db2.gz JQOOADLDAWEMHG-UHFFFAOYSA-N 0 0 237.387 3.602 20 0 BHADRN Cc1cc(C)c(NC(=O)C(C)(C)C(C)C)cc1O ZINC000682234796 487932550 /nfs/dbraw/zinc/93/25/50/487932550.db2.gz LBIFVWPBWHPPEP-UHFFFAOYSA-N 0 0 249.354 3.630 20 0 BHADRN CC(F)(F)CCC(=O)N[C@H]1CCCC(C)(C)C1 ZINC000682363324 487939165 /nfs/dbraw/zinc/93/91/65/487939165.db2.gz DLGLIPKJGCZUSL-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CC(F)(F)CCC(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000682363329 487939085 /nfs/dbraw/zinc/93/90/85/487939085.db2.gz DLGLIPKJGCZUSL-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN C[C@@H]1CCC[C@@H](NC(=O)CCC(C)(F)F)CC1 ZINC000682364303 487939996 /nfs/dbraw/zinc/93/99/96/487939996.db2.gz BMSUZEIIJBZQLB-GHMZBOCLSA-N 0 0 247.329 3.507 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)CCC(C)(F)F)CC1 ZINC000682364306 487940218 /nfs/dbraw/zinc/94/02/18/487940218.db2.gz BMSUZEIIJBZQLB-MNOVXSKESA-N 0 0 247.329 3.507 20 0 BHADRN C[C@H]1CCC[C@H](NC(=O)CCC(C)(F)F)CC1 ZINC000682364307 487940152 /nfs/dbraw/zinc/94/01/52/487940152.db2.gz BMSUZEIIJBZQLB-QWRGUYRKSA-N 0 0 247.329 3.507 20 0 BHADRN C[C@H]1CCC[C@@H](NC(=O)CCC(C)(F)F)CC1 ZINC000682364308 487939948 /nfs/dbraw/zinc/93/99/48/487939948.db2.gz BMSUZEIIJBZQLB-WDEREUQCSA-N 0 0 247.329 3.507 20 0 BHADRN Cc1c(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cnn1C ZINC000682376386 487943963 /nfs/dbraw/zinc/94/39/63/487943963.db2.gz PPMPFPUNSJNUAR-BNOWGMLFSA-N 0 0 249.402 3.601 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000682382863 487944823 /nfs/dbraw/zinc/94/48/23/487944823.db2.gz VOQIVPYTLFXHBQ-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000682382864 487944866 /nfs/dbraw/zinc/94/48/66/487944866.db2.gz VOQIVPYTLFXHBQ-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000682384577 487945705 /nfs/dbraw/zinc/94/57/05/487945705.db2.gz RGXMVOMOWQATPK-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000682384579 487945687 /nfs/dbraw/zinc/94/56/87/487945687.db2.gz RGXMVOMOWQATPK-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000682384581 487945173 /nfs/dbraw/zinc/94/51/73/487945173.db2.gz RGXMVOMOWQATPK-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(C)(CC)C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000682384583 487945759 /nfs/dbraw/zinc/94/57/59/487945759.db2.gz RGXMVOMOWQATPK-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)[C@H](C)N(C)c1nccc2sccc21 ZINC000682393710 487946080 /nfs/dbraw/zinc/94/60/80/487946080.db2.gz SDPFIVONTZFOHX-JTQLQIEISA-N 0 0 234.368 3.777 20 0 BHADRN CC(C)[C@@H](C)N(C)c1nccc2sccc21 ZINC000682393711 487946477 /nfs/dbraw/zinc/94/64/77/487946477.db2.gz SDPFIVONTZFOHX-SNVBAGLBSA-N 0 0 234.368 3.777 20 0 BHADRN Clc1cccc2nc(N3CC=CCC3)ccc12 ZINC000682394310 487946118 /nfs/dbraw/zinc/94/61/18/487946118.db2.gz HPOXQWXXDQAGOL-UHFFFAOYSA-N 0 0 244.725 3.655 20 0 BHADRN Oc1ccc(CNc2ccc(C3CC3)cc2)cc1 ZINC000682405960 488020919 /nfs/dbraw/zinc/02/09/19/488020919.db2.gz FUVMGWOODOFNGI-UHFFFAOYSA-N 0 0 239.318 3.882 20 0 BHADRN Cc1cccc(N(C)Cc2ccc(O)cc2)c1C ZINC000682406683 487950532 /nfs/dbraw/zinc/95/05/32/487950532.db2.gz IILRSOIDQSBGDJ-UHFFFAOYSA-N 0 0 241.334 3.645 20 0 BHADRN Cc1ccc(C)c(N(C)Cc2ccc(O)cc2)c1 ZINC000682406931 487950233 /nfs/dbraw/zinc/95/02/33/487950233.db2.gz UXGUJJYUHIXYOH-UHFFFAOYSA-N 0 0 241.334 3.645 20 0 BHADRN CCCOc1ccc(-c2ccccn2)c(F)c1 ZINC000682413370 487951863 /nfs/dbraw/zinc/95/18/63/487951863.db2.gz CAKVPCMDBUZTDJ-UHFFFAOYSA-N 0 0 231.270 3.677 20 0 BHADRN Cc1cc(C)n(-c2ccc(-c3ccccn3)cc2)n1 ZINC000682413384 487951993 /nfs/dbraw/zinc/95/19/93/487951993.db2.gz CENBOLVVVXZNJN-UHFFFAOYSA-N 0 0 249.317 3.551 20 0 BHADRN COc1ccc(-c2ccc3ccccc3c2)cn1 ZINC000682413445 487951687 /nfs/dbraw/zinc/95/16/87/487951687.db2.gz GLPDPUORLIYRGG-UHFFFAOYSA-N 0 0 235.286 3.910 20 0 BHADRN CCn1nccc1-c1ccc2ccccc2c1 ZINC000682413665 487951674 /nfs/dbraw/zinc/95/16/74/487951674.db2.gz KHMKSSNVSVLECO-UHFFFAOYSA-N 0 0 222.291 3.723 20 0 BHADRN CCOc1ccc(-c2ccccn2)cc1OCC ZINC000682413730 487951732 /nfs/dbraw/zinc/95/17/32/487951732.db2.gz OPQWDRBQOCDZML-UHFFFAOYSA-N 0 0 243.306 3.546 20 0 BHADRN CC(C)OCc1cccc(-c2ccccn2)c1 ZINC000682413738 487952025 /nfs/dbraw/zinc/95/20/25/487952025.db2.gz PIGPDOBCKHNLHV-UHFFFAOYSA-N 0 0 227.307 3.674 20 0 BHADRN CC(C)(C)Oc1ccc(-c2ccccn2)cc1 ZINC000682413793 487952482 /nfs/dbraw/zinc/95/24/82/487952482.db2.gz TYERLMHUGOBEPJ-UHFFFAOYSA-N 0 0 227.307 3.926 20 0 BHADRN C/C=C\COc1ccc(-c2ccccn2)cc1 ZINC000682413819 487952900 /nfs/dbraw/zinc/95/29/00/487952900.db2.gz VUFRMVSGEIFOHA-IHWYPQMZSA-N 0 0 225.291 3.704 20 0 BHADRN C/C=C/COc1ccc(-c2ccccn2)cc1 ZINC000682413820 487952627 /nfs/dbraw/zinc/95/26/27/487952627.db2.gz VUFRMVSGEIFOHA-NSCUHMNNSA-N 0 0 225.291 3.704 20 0 BHADRN CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H]1C[C@H]1C ZINC000682421257 487955130 /nfs/dbraw/zinc/95/51/30/487955130.db2.gz MMJUIMRVRINUIL-YUELXQCFSA-N 0 0 245.366 3.642 20 0 BHADRN CCC[C@@H](NC(=O)[C@@H]1C[C@H]1C)C1CCCCC1 ZINC000682422326 487956057 /nfs/dbraw/zinc/95/60/57/487956057.db2.gz SQYIFWDVNLATQD-MRVWCRGKSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1C[C@H]1C ZINC000682422739 491078287 /nfs/dbraw/zinc/07/82/87/491078287.db2.gz ABGPUCJQWZEFNF-MBNYWOFBSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CC[C@@H](NC(=O)[C@@H]1C[C@H]1C)C(C)(C)C ZINC000682422841 487956001 /nfs/dbraw/zinc/95/60/01/487956001.db2.gz HRFVGHYTHAHBDF-JHJVBQTASA-N 0 0 239.403 3.610 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000682426519 487960028 /nfs/dbraw/zinc/96/00/28/487960028.db2.gz VGYSICDKCZJLBY-OUCADQQQSA-N 0 0 243.350 3.573 20 0 BHADRN Cc1cc(C)nc(S[C@@H]2CCCCCC2=O)c1 ZINC000682449541 487965821 /nfs/dbraw/zinc/96/58/21/487965821.db2.gz CAJUAFOXLAUZNQ-CYBMUJFWSA-N 0 0 249.379 3.692 20 0 BHADRN Cc1cc(C)nc(S[C@H]2CCCCCC2=O)c1 ZINC000682449542 487965996 /nfs/dbraw/zinc/96/59/96/487965996.db2.gz CAJUAFOXLAUZNQ-ZDUSSCGKSA-N 0 0 249.379 3.692 20 0 BHADRN Cc1cc(C)nc(SCc2cnccc2C)c1 ZINC000682449831 487965810 /nfs/dbraw/zinc/96/58/10/487965810.db2.gz IBRURFYUVRQTMW-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cnc([C@@H](C)Sc2cc(C)cc(C)n2)o1 ZINC000682449899 487966157 /nfs/dbraw/zinc/96/61/57/487966157.db2.gz KYAAZNJGOKQQBW-LLVKDONJSA-N 0 0 248.351 3.848 20 0 BHADRN Cc1cnc([C@H](C)Sc2cc(C)cc(C)n2)o1 ZINC000682450055 487966287 /nfs/dbraw/zinc/96/62/87/487966287.db2.gz KYAAZNJGOKQQBW-NSHDSACASA-N 0 0 248.351 3.848 20 0 BHADRN Cc1nc(CSc2cc(C)cc(C)n2)oc1C ZINC000682450550 487965869 /nfs/dbraw/zinc/96/58/69/487965869.db2.gz REZIEWJYYLOOCW-UHFFFAOYSA-N 0 0 248.351 3.596 20 0 BHADRN Cc1cc(C)nc(SCc2ncccc2C)c1 ZINC000682451181 487966216 /nfs/dbraw/zinc/96/62/16/487966216.db2.gz YFNLFYREFJIKDL-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cc(C)nc(SC2CCCC2)c1 ZINC000682451688 487967114 /nfs/dbraw/zinc/96/71/14/487967114.db2.gz JBUKWDGUBCRPNO-UHFFFAOYSA-N 0 0 207.342 3.733 20 0 BHADRN Cc1cc(C)nc(SCC2CCC2)c1 ZINC000682451778 487966696 /nfs/dbraw/zinc/96/66/96/487966696.db2.gz KYBOWINXHPNXMT-UHFFFAOYSA-N 0 0 207.342 3.591 20 0 BHADRN CCCCOCCSc1cc(C)cc(C)n1 ZINC000682451789 487966939 /nfs/dbraw/zinc/96/69/39/487966939.db2.gz DNQVKWXJYUDBNI-UHFFFAOYSA-N 0 0 239.384 3.607 20 0 BHADRN Cc1ccc(CSc2cc(C)cc(C)n2)nc1 ZINC000682451892 487966961 /nfs/dbraw/zinc/96/69/61/487966961.db2.gz GYOHWQRIMWMKJT-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cc(C)nc(SCCOC(C)(C)C)c1 ZINC000682451943 487966968 /nfs/dbraw/zinc/96/69/68/487966968.db2.gz NYDVBHACDWWGQR-UHFFFAOYSA-N 0 0 239.384 3.606 20 0 BHADRN Cc1noc(C)c1CSc1cc(C)cc(C)n1 ZINC000682452074 487966737 /nfs/dbraw/zinc/96/67/37/487966737.db2.gz KWRSFGVPXCIXLE-UHFFFAOYSA-N 0 0 248.351 3.596 20 0 BHADRN COCCCCCSc1cc(C)cc(C)n1 ZINC000682452251 487967259 /nfs/dbraw/zinc/96/72/59/487967259.db2.gz VCRDUJMIIQQAMI-UHFFFAOYSA-N 0 0 239.384 3.607 20 0 BHADRN Cc1cc(C)nc(S[C@H](C)c2ccncc2)c1 ZINC000682452252 487966900 /nfs/dbraw/zinc/96/69/00/487966900.db2.gz VDTFWEWBMBCFOB-GFCCVEGCSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1cc(C)nc(S[C@@H](C)c2ccncc2)c1 ZINC000682452254 487966729 /nfs/dbraw/zinc/96/67/29/487966729.db2.gz VDTFWEWBMBCFOB-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1cc(C)nc(SCCCOC(C)C)c1 ZINC000682452289 487966772 /nfs/dbraw/zinc/96/67/72/487966772.db2.gz VUJVTUDIMAJVHX-UHFFFAOYSA-N 0 0 239.384 3.606 20 0 BHADRN Cc1cc(C)nc(SCc2ccccc2)c1 ZINC000682452293 487967240 /nfs/dbraw/zinc/96/72/40/487967240.db2.gz VVOUBHXRXHHWRL-UHFFFAOYSA-N 0 0 229.348 3.991 20 0 BHADRN Cc1cc(C)nc(S[C@H](C)c2cccnc2)c1 ZINC000682452371 487967265 /nfs/dbraw/zinc/96/72/65/487967265.db2.gz POPRDRDPEMSNEW-GFCCVEGCSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1cc(C)nc(S[C@@H](C)c2cccnc2)c1 ZINC000682452373 487966885 /nfs/dbraw/zinc/96/68/85/487966885.db2.gz POPRDRDPEMSNEW-LBPRGKRZSA-N 0 0 244.363 3.947 20 0 BHADRN Cc1cc(C)nc(SC[C@@H](C)C(F)(F)F)c1 ZINC000682452493 487962458 /nfs/dbraw/zinc/96/24/58/487962458.db2.gz ZTBDJIVAFQVNPO-MRVPVSSYSA-N 0 0 249.301 3.989 20 0 BHADRN Cc1cc(C)nc(SC[C@H](C)C(F)(F)F)c1 ZINC000682452494 487962535 /nfs/dbraw/zinc/96/25/35/487962535.db2.gz ZTBDJIVAFQVNPO-QMMMGPOBSA-N 0 0 249.301 3.989 20 0 BHADRN Cc1cncc(CSc2cc(C)cc(C)n2)c1 ZINC000682452920 488044664 /nfs/dbraw/zinc/04/46/64/488044664.db2.gz IGJKOIRROAMLBF-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN CCc1cnc(CSc2cc(C)cc(C)n2)o1 ZINC000682453086 487966928 /nfs/dbraw/zinc/96/69/28/487966928.db2.gz KVJYORDMCWBJNB-UHFFFAOYSA-N 0 0 248.351 3.541 20 0 BHADRN c1cc2c(c(OCC[C@@H]3CCCO3)c1)CCCC2 ZINC000682453191 487967020 /nfs/dbraw/zinc/96/70/20/487967020.db2.gz GLOWZMDGYZNZHB-AWEZNQCLSA-N 0 0 246.350 3.513 20 0 BHADRN c1cc2c(c(OCC[C@H]3CCCO3)c1)CCCC2 ZINC000682453192 487966904 /nfs/dbraw/zinc/96/69/04/487966904.db2.gz GLOWZMDGYZNZHB-CQSZACIVSA-N 0 0 246.350 3.513 20 0 BHADRN Cc1cc(C)nc(SCc2cccc(C)n2)c1 ZINC000682453259 487966690 /nfs/dbraw/zinc/96/66/90/487966690.db2.gz NFQRPIZEYPHNDM-UHFFFAOYSA-N 0 0 244.363 3.694 20 0 BHADRN Cc1cc(C)nc(S[C@H](C)C(F)(F)F)c1 ZINC000682453302 487966707 /nfs/dbraw/zinc/96/67/07/487966707.db2.gz PJUICBWTOXTVKA-MRVPVSSYSA-N 0 0 235.274 3.741 20 0 BHADRN Cc1cc(C)nc(S[C@@H](C)C(F)(F)F)c1 ZINC000682453303 487967121 /nfs/dbraw/zinc/96/71/21/487967121.db2.gz PJUICBWTOXTVKA-QMMMGPOBSA-N 0 0 235.274 3.741 20 0 BHADRN Cc1cc(C)nc(SCCC2CC2)c1 ZINC000682453319 487967145 /nfs/dbraw/zinc/96/71/45/487967145.db2.gz PSGGEJMWWWDMMV-UHFFFAOYSA-N 0 0 207.342 3.591 20 0 BHADRN Cc1cc(C)nc(SCCC(F)(F)F)c1 ZINC000682453479 487966739 /nfs/dbraw/zinc/96/67/39/487966739.db2.gz RVFTXUQKYRRHLJ-UHFFFAOYSA-N 0 0 235.274 3.743 20 0 BHADRN Cc1ccc(F)cc1OCCCOC(C)(C)C ZINC000682454703 487966870 /nfs/dbraw/zinc/96/68/70/487966870.db2.gz OCKGHHOHKAPJCE-UHFFFAOYSA-N 0 0 240.318 3.718 20 0 BHADRN CC/C=C/CCNc1cc(CO)c(C)cc1C ZINC000682457268 487967689 /nfs/dbraw/zinc/96/76/89/487967689.db2.gz CCABGHPJQKZAHZ-AATRIKPKSA-N 0 0 233.355 3.564 20 0 BHADRN CC/C=C\CCNc1cc(CO)c(C)cc1C ZINC000682457273 487967956 /nfs/dbraw/zinc/96/79/56/487967956.db2.gz CCABGHPJQKZAHZ-WAYWQWQTSA-N 0 0 233.355 3.564 20 0 BHADRN COC(C)(C)CCNc1ccc(C2CC2)cc1 ZINC000682457768 487968279 /nfs/dbraw/zinc/96/82/79/487968279.db2.gz MOWPPPISNQYPAI-UHFFFAOYSA-N 0 0 233.355 3.791 20 0 BHADRN c1cc(C2CC2)ccc1NCC[C@@H]1CCCO1 ZINC000682457915 487967732 /nfs/dbraw/zinc/96/77/32/487967732.db2.gz QZGDQSQAGUYAMN-HNNXBMFYSA-N 0 0 231.339 3.545 20 0 BHADRN c1cc(C2CC2)ccc1NCC[C@H]1CCCO1 ZINC000682457921 487967902 /nfs/dbraw/zinc/96/79/02/487967902.db2.gz QZGDQSQAGUYAMN-OAHLLOKOSA-N 0 0 231.339 3.545 20 0 BHADRN Clc1cncnc1Nc1ccc(C2CC2)cc1 ZINC000682470331 487968943 /nfs/dbraw/zinc/96/89/43/487968943.db2.gz RBBGACXUMXTVMU-UHFFFAOYSA-N 0 0 245.713 3.751 20 0 BHADRN c1cnnc(NC2CCC3(CCCCC3)CC2)c1 ZINC000682471073 487968894 /nfs/dbraw/zinc/96/88/94/487968894.db2.gz AFLQKMDCTBDHJM-UHFFFAOYSA-N 0 0 245.370 3.782 20 0 BHADRN CCc1cc(C)nc(Oc2cc(F)ccc2C)n1 ZINC000682475291 487969963 /nfs/dbraw/zinc/96/99/63/487969963.db2.gz XXROBVYMGKKPKH-UHFFFAOYSA-N 0 0 246.285 3.587 20 0 BHADRN CC(C)=CCSc1cc(C)cc(C)n1 ZINC000682518991 487975407 /nfs/dbraw/zinc/97/54/07/487975407.db2.gz LJUAKGOJXRGDBT-UHFFFAOYSA-N 0 0 207.342 3.757 20 0 BHADRN COC(C)(C)CCN1CCCc2c(C)cccc21 ZINC000682527337 487976209 /nfs/dbraw/zinc/97/62/09/487976209.db2.gz LLQMRVYVXYTUDR-UHFFFAOYSA-N 0 0 247.382 3.563 20 0 BHADRN CCC1(CC)CCCN(CC(F)F)CC1 ZINC000682540999 487980704 /nfs/dbraw/zinc/98/07/04/487980704.db2.gz XVEJYFFOJACQAI-UHFFFAOYSA-N 0 0 219.319 3.544 20 0 BHADRN C[C@H]1C[C@H]1C(=O)NC1CCC2(CCCCC2)CC1 ZINC000682541421 487981894 /nfs/dbraw/zinc/98/18/94/487981894.db2.gz IJVIKUQVDQNSPK-GXTWGEPZSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)NC1CCC2(CCCCC2)CC1 ZINC000682541423 487982114 /nfs/dbraw/zinc/98/21/14/487982114.db2.gz IJVIKUQVDQNSPK-JSGCOSHPSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)NC1CCC2(CCCCC2)CC1 ZINC000682541425 487982126 /nfs/dbraw/zinc/98/21/26/487982126.db2.gz IJVIKUQVDQNSPK-OCCSQVGLSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)NC1CCC2(CCCCC2)CC1 ZINC000682541427 487982185 /nfs/dbraw/zinc/98/21/85/487982185.db2.gz IJVIKUQVDQNSPK-TZMCWYRMSA-N 0 0 249.398 3.652 20 0 BHADRN CC[C@@H](Nc1cccc2ccn(C)c21)C1CC1 ZINC000682644675 488006244 /nfs/dbraw/zinc/00/62/44/488006244.db2.gz WGCNWOABISWCBI-CYBMUJFWSA-N 0 0 228.339 3.779 20 0 BHADRN CC[C@H](Nc1cccc2ccn(C)c21)C1CC1 ZINC000682644676 488005500 /nfs/dbraw/zinc/00/55/00/488005500.db2.gz WGCNWOABISWCBI-ZDUSSCGKSA-N 0 0 228.339 3.779 20 0 BHADRN Cc1cc(CN2C[C@H](C)c3ccccc32)sn1 ZINC000682673411 488010222 /nfs/dbraw/zinc/01/02/22/488010222.db2.gz MBGPJDQJEZODDO-JTQLQIEISA-N 0 0 244.363 3.575 20 0 BHADRN Cc1cc(CN2C[C@@H](C)c3ccccc32)sn1 ZINC000682673421 488009107 /nfs/dbraw/zinc/00/91/07/488009107.db2.gz MBGPJDQJEZODDO-SNVBAGLBSA-N 0 0 244.363 3.575 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc(C)cc1C ZINC000682690367 488018013 /nfs/dbraw/zinc/01/80/13/488018013.db2.gz CCWOFOTYWXTFDI-XFFZJAGNSA-N 0 0 229.323 3.764 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc(C)cc1C ZINC000682690368 488017905 /nfs/dbraw/zinc/01/79/05/488017905.db2.gz CCWOFOTYWXTFDI-YRNVUSSQSA-N 0 0 229.323 3.764 20 0 BHADRN C=C/C(C)=C\CC(=O)NCCC1=CCCCC1 ZINC000682690769 488017965 /nfs/dbraw/zinc/01/79/65/488017965.db2.gz HDEMFDTYIZMCLN-LCYFTJDESA-N 0 0 233.355 3.516 20 0 BHADRN C=C/C(C)=C/CC(=O)NCCC1=CCCCC1 ZINC000682690773 488018041 /nfs/dbraw/zinc/01/80/41/488018041.db2.gz HDEMFDTYIZMCLN-UKTHLTGXSA-N 0 0 233.355 3.516 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc(C)c(C)c1 ZINC000682690824 488018057 /nfs/dbraw/zinc/01/80/57/488018057.db2.gz JBJJFFFXTYWLEC-IZZDOVSWSA-N 0 0 229.323 3.764 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc(C)c(C)c1 ZINC000682690825 488018168 /nfs/dbraw/zinc/01/81/68/488018168.db2.gz JBJJFFFXTYWLEC-WDZFZDKYSA-N 0 0 229.323 3.764 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1cccc(SC)c1 ZINC000682691336 488018247 /nfs/dbraw/zinc/01/82/47/488018247.db2.gz RVMUYIDLDUELRY-DHZHZOJOSA-N 0 0 247.363 3.869 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1cccc(SC)c1 ZINC000682691337 488017887 /nfs/dbraw/zinc/01/78/87/488017887.db2.gz RVMUYIDLDUELRY-FLIBITNWSA-N 0 0 247.363 3.869 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc(OCC)cc1 ZINC000682691385 488017893 /nfs/dbraw/zinc/01/78/93/488017893.db2.gz VMMMRWRTUTYOAN-SDQBBNPISA-N 0 0 245.322 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc(OCC)cc1 ZINC000682691386 488018231 /nfs/dbraw/zinc/01/82/31/488018231.db2.gz VMMMRWRTUTYOAN-WUXMJOGZSA-N 0 0 245.322 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1cc(C)cc(C)c1 ZINC000682692293 488019240 /nfs/dbraw/zinc/01/92/40/488019240.db2.gz GVLDSEQVMMLUAW-IZZDOVSWSA-N 0 0 229.323 3.764 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1cc(C)cc(C)c1 ZINC000682692294 488018992 /nfs/dbraw/zinc/01/89/92/488018992.db2.gz GVLDSEQVMMLUAW-WDZFZDKYSA-N 0 0 229.323 3.764 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc(C)c(F)c1 ZINC000682692511 488019262 /nfs/dbraw/zinc/01/92/62/488019262.db2.gz NVGGVTMEDCVPSW-BJMVGYQFSA-N 0 0 233.286 3.595 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc(C)c(F)c1 ZINC000682692512 488019268 /nfs/dbraw/zinc/01/92/68/488019268.db2.gz NVGGVTMEDCVPSW-YHYXMXQVSA-N 0 0 233.286 3.595 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1cccc(CC)c1 ZINC000682692669 488019109 /nfs/dbraw/zinc/01/91/09/488019109.db2.gz QCMXZQSOVNEOLT-FMIVXFBMSA-N 0 0 229.323 3.710 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1cccc(CC)c1 ZINC000682692670 487506865 /nfs/dbraw/zinc/50/68/65/487506865.db2.gz QCMXZQSOVNEOLT-XFXZXTDPSA-N 0 0 229.323 3.710 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc(CC)cc1 ZINC000682692787 488019208 /nfs/dbraw/zinc/01/92/08/488019208.db2.gz XBKNNANBKINDTL-SDQBBNPISA-N 0 0 229.323 3.710 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc(CC)cc1 ZINC000682692788 488019128 /nfs/dbraw/zinc/01/91/28/488019128.db2.gz XBKNNANBKINDTL-WUXMJOGZSA-N 0 0 229.323 3.710 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc2c(c1)CCC2 ZINC000682692899 488018987 /nfs/dbraw/zinc/01/89/87/488018987.db2.gz GHZKNMZGVSTUKP-GHXNOFRVSA-N 0 0 241.334 3.636 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc2c(c1)CCC2 ZINC000682692900 488019202 /nfs/dbraw/zinc/01/92/02/488019202.db2.gz GHZKNMZGVSTUKP-KPKJPENVSA-N 0 0 241.334 3.636 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc(SC)cc1 ZINC000682693038 487509712 /nfs/dbraw/zinc/50/97/12/487509712.db2.gz PKKNXTDHUJJECR-VZUCSPMQSA-N 0 0 247.363 3.869 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc(SC)cc1 ZINC000682693039 487509444 /nfs/dbraw/zinc/50/94/44/487509444.db2.gz PKKNXTDHUJJECR-WZUFQYTHSA-N 0 0 247.363 3.869 20 0 BHADRN C=C/C(C)=C/CC(=O)NCCCC1CCCC1 ZINC000682693417 488019704 /nfs/dbraw/zinc/01/97/04/488019704.db2.gz KQSWLCGHJLYLQX-JLHYYAGUSA-N 0 0 235.371 3.595 20 0 BHADRN C=C/C(C)=C\CC(=O)NCCCC1CCCC1 ZINC000682693418 488019657 /nfs/dbraw/zinc/01/96/57/488019657.db2.gz KQSWLCGHJLYLQX-RAXLEYEMSA-N 0 0 235.371 3.595 20 0 BHADRN C=C/C(C)=C/CC(=O)N(CC)CC(CC)CC ZINC000682693555 488019624 /nfs/dbraw/zinc/01/96/24/488019624.db2.gz OAPLHRWCCYHVJX-JLHYYAGUSA-N 0 0 237.387 3.794 20 0 BHADRN C=C/C(C)=C\CC(=O)N(CC)CC(CC)CC ZINC000682693556 488019583 /nfs/dbraw/zinc/01/95/83/488019583.db2.gz OAPLHRWCCYHVJX-RAXLEYEMSA-N 0 0 237.387 3.794 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1cc(C)ccc1F ZINC000682693589 488019872 /nfs/dbraw/zinc/01/98/72/488019872.db2.gz CBORGDLRAFREET-POHAHGRESA-N 0 0 233.286 3.595 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1cc(C)ccc1F ZINC000682693590 488019928 /nfs/dbraw/zinc/01/99/28/488019928.db2.gz CBORGDLRAFREET-UXBLZVDNSA-N 0 0 233.286 3.595 20 0 BHADRN C=C/C(C)=C\CC(=O)N(CC)Cc1cccs1 ZINC000682693836 487511638 /nfs/dbraw/zinc/51/16/38/487511638.db2.gz SOJIZUDCYQJLFA-WQLSENKSSA-N 0 0 249.379 3.619 20 0 BHADRN C=C/C(C)=C/CC(=O)N(CC)Cc1cccs1 ZINC000682693837 487511318 /nfs/dbraw/zinc/51/13/18/487511318.db2.gz SOJIZUDCYQJLFA-XYOKQWHBSA-N 0 0 249.379 3.619 20 0 BHADRN C=C/C(C)=C/CC(=O)NC[C@H](CC)CCCC ZINC000682693884 488019778 /nfs/dbraw/zinc/01/97/78/488019778.db2.gz HRLFJPGRTCYIBJ-JWAFFJSPSA-N 0 0 237.387 3.841 20 0 BHADRN C=C/C(C)=C\CC(=O)NC[C@H](CC)CCCC ZINC000682693885 488019511 /nfs/dbraw/zinc/01/95/11/488019511.db2.gz HRLFJPGRTCYIBJ-QLKUMGTLSA-N 0 0 237.387 3.841 20 0 BHADRN C=C/C(C)=C/CC(=O)NC[C@@H](CC)CCCC ZINC000682693886 488020445 /nfs/dbraw/zinc/02/04/45/488020445.db2.gz HRLFJPGRTCYIBJ-UELRPHRMSA-N 0 0 237.387 3.841 20 0 BHADRN C=C/C(C)=C\CC(=O)NC[C@@H](CC)CCCC ZINC000682693888 488020528 /nfs/dbraw/zinc/02/05/28/488020528.db2.gz HRLFJPGRTCYIBJ-ZVHGMHCTSA-N 0 0 237.387 3.841 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000682694146 488020858 /nfs/dbraw/zinc/02/08/58/488020858.db2.gz NUMCGIOBDCKYRJ-NYYWCZLTSA-N 0 0 240.306 3.629 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000682694147 488020454 /nfs/dbraw/zinc/02/04/54/488020454.db2.gz NUMCGIOBDCKYRJ-WCIBSUBMSA-N 0 0 240.306 3.629 20 0 BHADRN C=C/C(C)=C/CC(=O)N[C@H](C)CCCC(C)C ZINC000682694218 488020720 /nfs/dbraw/zinc/02/07/20/488020720.db2.gz UIWRHOWNVBPXML-JWAFFJSPSA-N 0 0 237.387 3.840 20 0 BHADRN C=C/C(C)=C\CC(=O)N[C@H](C)CCCC(C)C ZINC000682694219 488020593 /nfs/dbraw/zinc/02/05/93/488020593.db2.gz UIWRHOWNVBPXML-QLKUMGTLSA-N 0 0 237.387 3.840 20 0 BHADRN C=C/C(C)=C/CC(=O)N[C@@H](C)CCCC(C)C ZINC000682694220 488020631 /nfs/dbraw/zinc/02/06/31/488020631.db2.gz UIWRHOWNVBPXML-UELRPHRMSA-N 0 0 237.387 3.840 20 0 BHADRN C=C/C(C)=C\CC(=O)N[C@@H](C)CCCC(C)C ZINC000682694221 487512712 /nfs/dbraw/zinc/51/27/12/487512712.db2.gz UIWRHOWNVBPXML-ZVHGMHCTSA-N 0 0 237.387 3.840 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccccc1CC ZINC000682694269 487512566 /nfs/dbraw/zinc/51/25/66/487512566.db2.gz YUGVHQMKWMAQHV-BENRWUELSA-N 0 0 229.323 3.710 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccccc1CC ZINC000682694270 487512210 /nfs/dbraw/zinc/51/22/10/487512210.db2.gz YUGVHQMKWMAQHV-ZRDIBKRKSA-N 0 0 229.323 3.710 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc(F)cc1C ZINC000682694271 487512453 /nfs/dbraw/zinc/51/24/53/487512453.db2.gz YYPHCXWKZNVDNR-BJMVGYQFSA-N 0 0 233.286 3.595 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc(F)cc1C ZINC000682694272 487512264 /nfs/dbraw/zinc/51/22/64/487512264.db2.gz YYPHCXWKZNVDNR-YHYXMXQVSA-N 0 0 233.286 3.595 20 0 BHADRN C=C/C(C)=C/CC(=O)N(C)[C@H](C)c1cccs1 ZINC000682694471 488020570 /nfs/dbraw/zinc/02/05/70/488020570.db2.gz NTJYDLPLGNWIJZ-JATZPVMKSA-N 0 0 249.379 3.790 20 0 BHADRN C=C/C(C)=C\CC(=O)N(C)[C@@H](C)c1cccs1 ZINC000682694472 488020694 /nfs/dbraw/zinc/02/06/94/488020694.db2.gz NTJYDLPLGNWIJZ-KGTBHZDVSA-N 0 0 249.379 3.790 20 0 BHADRN C=C/C(C)=C\CC(=O)N(C)[C@H](C)c1cccs1 ZINC000682694473 488020667 /nfs/dbraw/zinc/02/06/67/488020667.db2.gz NTJYDLPLGNWIJZ-NXIHDVOMSA-N 0 0 249.379 3.790 20 0 BHADRN C=C/C(C)=C/CC(=O)N(C)[C@@H](C)c1cccs1 ZINC000682694474 488020471 /nfs/dbraw/zinc/02/04/71/488020471.db2.gz NTJYDLPLGNWIJZ-OBIHZWKSSA-N 0 0 249.379 3.790 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1cccc(OCC)c1 ZINC000682694605 488020743 /nfs/dbraw/zinc/02/07/43/488020743.db2.gz XHCKYFFHUACXFN-FMIVXFBMSA-N 0 0 245.322 3.546 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1cccc(OCC)c1 ZINC000682694606 488020543 /nfs/dbraw/zinc/02/05/43/488020543.db2.gz XHCKYFFHUACXFN-XFXZXTDPSA-N 0 0 245.322 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000682694707 487513602 /nfs/dbraw/zinc/51/36/02/487513602.db2.gz CLPXXQBUNJZWPO-CFOGARKDSA-N 0 0 247.382 3.688 20 0 BHADRN C=C/C(C)=C/CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000682694712 487513743 /nfs/dbraw/zinc/51/37/43/487513743.db2.gz CLPXXQBUNJZWPO-FVRSTRTBSA-N 0 0 247.382 3.688 20 0 BHADRN C=C/C(C)=C\CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000682694714 487513654 /nfs/dbraw/zinc/51/36/54/487513654.db2.gz CLPXXQBUNJZWPO-LDHHXMAOSA-N 0 0 247.382 3.688 20 0 BHADRN C=C/C(C)=C\CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000682694722 487513576 /nfs/dbraw/zinc/51/35/76/487513576.db2.gz CLPXXQBUNJZWPO-WUXJZVNYSA-N 0 0 247.382 3.688 20 0 BHADRN C=C/C(C)=C/CC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000682694880 488020441 /nfs/dbraw/zinc/02/04/41/488020441.db2.gz KFLKEFBIWGSXLP-NRMKIYEFSA-N 0 0 247.382 3.690 20 0 BHADRN C=C/C(C)=C/CC(=O)N1CCC[C@H]1C1CCCC1 ZINC000682694881 487513775 /nfs/dbraw/zinc/51/37/75/487513775.db2.gz KFLKEFBIWGSXLP-VOMSXAGXSA-N 0 0 247.382 3.690 20 0 BHADRN C=C/C(C)=C\CC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000682694883 487514723 /nfs/dbraw/zinc/51/47/23/487514723.db2.gz KFLKEFBIWGSXLP-VSKPTYQZSA-N 0 0 247.382 3.690 20 0 BHADRN C=C/C(C)=C\CC(=O)N1CCC[C@H]1C1CCCC1 ZINC000682694884 487514586 /nfs/dbraw/zinc/51/45/86/487514586.db2.gz KFLKEFBIWGSXLP-WVUXNXBLSA-N 0 0 247.382 3.690 20 0 BHADRN C=C/C(C)=C/CC(=O)NCC1CCC(CC)CC1 ZINC000682694937 487514285 /nfs/dbraw/zinc/51/42/85/487514285.db2.gz NAGOJFVTPUZFHH-AWNIVKPZSA-N 0 0 249.398 3.841 20 0 BHADRN C=C/C(C)=C\CC(=O)NCC1CCC(CC)CC1 ZINC000682694943 487514635 /nfs/dbraw/zinc/51/46/35/487514635.db2.gz NAGOJFVTPUZFHH-MLPAPPSSSA-N 0 0 249.398 3.841 20 0 BHADRN C=C/C(C)=C\CC(=O)N1CCC2(C1)CCCCC2 ZINC000682695606 488021229 /nfs/dbraw/zinc/02/12/29/488021229.db2.gz NSIWVWKABMHPSX-AUWJEWJLSA-N 0 0 247.382 3.692 20 0 BHADRN C=C/C(C)=C/CC(=O)N1CCC2(C1)CCCCC2 ZINC000682695607 488021563 /nfs/dbraw/zinc/02/15/63/488021563.db2.gz NSIWVWKABMHPSX-VGOFMYFVSA-N 0 0 247.382 3.692 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1cccc2[nH]ccc21 ZINC000682696162 488021454 /nfs/dbraw/zinc/02/14/54/488021454.db2.gz XTGLXUXNHUHGEZ-XFFZJAGNSA-N 0 0 240.306 3.629 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1cccc2[nH]ccc21 ZINC000682696163 488021604 /nfs/dbraw/zinc/02/16/04/488021604.db2.gz XTGLXUXNHUHGEZ-YRNVUSSQSA-N 0 0 240.306 3.629 20 0 BHADRN C=C/C(C)=C/CC(=O)N(C)CCC1CCCCC1 ZINC000682696167 488021256 /nfs/dbraw/zinc/02/12/56/488021256.db2.gz YBCORXKSYMUZTR-GXDHUFHOSA-N 0 0 249.398 3.938 20 0 BHADRN C=C/C(C)=C\CC(=O)N(C)CCC1CCCCC1 ZINC000682696168 488021514 /nfs/dbraw/zinc/02/15/14/488021514.db2.gz YBCORXKSYMUZTR-UVTDQMKNSA-N 0 0 249.398 3.938 20 0 BHADRN CC(C)c1cccc(C(C)C)c1NC[C@@H](C)CO ZINC000682709936 488025114 /nfs/dbraw/zinc/02/51/14/488025114.db2.gz JGQOGDBYRTYPHZ-CYBMUJFWSA-N 0 0 249.398 3.974 20 0 BHADRN CC(C)c1cccc(C(C)C)c1NC[C@H](C)CO 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IBQQLDKVECLWTC-SDNWHVSQSA-N 0 0 243.350 3.558 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1cccc(Cl)c1 ZINC000682828070 488048878 /nfs/dbraw/zinc/04/88/78/488048878.db2.gz UQFWVVZYRRPAMX-JXMROGBWSA-N 0 0 235.714 3.801 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1cccc(Cl)c1 ZINC000682828071 488048441 /nfs/dbraw/zinc/04/84/41/488048441.db2.gz UQFWVVZYRRPAMX-YFHOEESVSA-N 0 0 235.714 3.801 20 0 BHADRN C=C/C(C)=C/CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000682828197 488048552 /nfs/dbraw/zinc/04/85/52/488048552.db2.gz POYHIRYDDYEBHG-CMPYXILNSA-N 0 0 243.350 3.728 20 0 BHADRN C=C/C(C)=C\CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000682828198 488048611 /nfs/dbraw/zinc/04/86/11/488048611.db2.gz POYHIRYDDYEBHG-FZDNWWAKSA-N 0 0 243.350 3.728 20 0 BHADRN C=C/C(C)=C\CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000682828199 488048757 /nfs/dbraw/zinc/04/87/57/488048757.db2.gz POYHIRYDDYEBHG-YBEMTRGBSA-N 0 0 243.350 3.728 20 0 BHADRN C=C/C(C)=C/CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000682828200 488048644 /nfs/dbraw/zinc/04/86/44/488048644.db2.gz POYHIRYDDYEBHG-YPDDLIOESA-N 0 0 243.350 3.728 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccccc1SC ZINC000682828211 488048874 /nfs/dbraw/zinc/04/88/74/488048874.db2.gz RJLQTRKJWMGIHW-LUAWRHEFSA-N 0 0 247.363 3.869 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccccc1SC ZINC000682828212 488048484 /nfs/dbraw/zinc/04/84/84/488048484.db2.gz RJLQTRKJWMGIHW-PKNBQFBNSA-N 0 0 247.363 3.869 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccccc1OCC ZINC000682828269 488048840 /nfs/dbraw/zinc/04/88/40/488048840.db2.gz WXDBUQCYKNARKK-BENRWUELSA-N 0 0 245.322 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccccc1OCC ZINC000682828270 488048591 /nfs/dbraw/zinc/04/85/91/488048591.db2.gz WXDBUQCYKNARKK-ZRDIBKRKSA-N 0 0 245.322 3.546 20 0 BHADRN C=C/C(C)=C\CC(=O)Nc1ccc(C)cc1F ZINC000682828294 488048703 /nfs/dbraw/zinc/04/87/03/488048703.db2.gz YTAIFJAEANYLMO-POHAHGRESA-N 0 0 233.286 3.595 20 0 BHADRN C=C/C(C)=C/CC(=O)Nc1ccc(C)cc1F ZINC000682828295 488048850 /nfs/dbraw/zinc/04/88/50/488048850.db2.gz YTAIFJAEANYLMO-UXBLZVDNSA-N 0 0 233.286 3.595 20 0 BHADRN C=C/C(C)=C/CC(=O)N(CC)c1ccccc1 ZINC000682828325 488048564 /nfs/dbraw/zinc/04/85/64/488048564.db2.gz ARCCHTBBRBCYPN-ACCUITESSA-N 0 0 229.323 3.562 20 0 BHADRN C=C/C(C)=C\CC(=O)N(CC)c1ccccc1 ZINC000682828326 488048577 /nfs/dbraw/zinc/04/85/77/488048577.db2.gz ARCCHTBBRBCYPN-QBFSEMIESA-N 0 0 229.323 3.562 20 0 BHADRN C=C/C(C)=C\CC(=O)N(C)C1CCC(C)CC1 ZINC000682828384 488048889 /nfs/dbraw/zinc/04/88/89/488048889.db2.gz HGIXBSXPHPNEMS-WQLSENKSSA-N 0 0 235.371 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)N(C)C1CCC(C)CC1 ZINC000682828385 488048722 /nfs/dbraw/zinc/04/87/22/488048722.db2.gz HGIXBSXPHPNEMS-XYOKQWHBSA-N 0 0 235.371 3.546 20 0 BHADRN C=C/C(C)=C/CC(=O)N(CC)C1CCCCC1 ZINC000682828442 488048664 /nfs/dbraw/zinc/04/86/64/488048664.db2.gz NCVSQAVHXFRKBS-ACCUITESSA-N 0 0 235.371 3.690 20 0 BHADRN C=C/C(C)=C\CC(=O)N(CC)C1CCCCC1 ZINC000682828444 488048478 /nfs/dbraw/zinc/04/84/78/488048478.db2.gz NCVSQAVHXFRKBS-QBFSEMIESA-N 0 0 235.371 3.690 20 0 BHADRN C=C/C(C)=C/CC(=O)N(C)C1CCCCCC1 ZINC000682828485 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ZINC000683580056 488200985 /nfs/dbraw/zinc/20/09/85/488200985.db2.gz KASUZMXDSBROLD-HJWRWDBZSA-N 0 0 244.294 3.663 20 0 BHADRN Cc1ccc(-c2noc(/C=C/C(C)(C)C)n2)o1 ZINC000683590363 488201565 /nfs/dbraw/zinc/20/15/65/488201565.db2.gz ACVCNUXVFVEYCR-BQYQJAHWSA-N 0 0 232.283 3.697 20 0 BHADRN Cc1ccc(-c2noc(/C=C\C(C)(C)C)n2)o1 ZINC000683590364 488201560 /nfs/dbraw/zinc/20/15/60/488201560.db2.gz ACVCNUXVFVEYCR-FPLPWBNLSA-N 0 0 232.283 3.697 20 0 BHADRN Cc1ccc(-c2noc([C@H]3CCC(C)(C)C3)n2)o1 ZINC000683590540 488201574 /nfs/dbraw/zinc/20/15/74/488201574.db2.gz PEXGVFIIXIVKJU-JTQLQIEISA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3CCC(C)(C)C3)n2)o1 ZINC000683590542 488201326 /nfs/dbraw/zinc/20/13/26/488201326.db2.gz PEXGVFIIXIVKJU-SNVBAGLBSA-N 0 0 246.310 3.932 20 0 BHADRN CCCC1(c2nc(-c3ccc(C)o3)no2)CCC1 ZINC000683590556 488201221 /nfs/dbraw/zinc/20/12/21/488201221.db2.gz RPZLKQICTAPMOM-UHFFFAOYSA-N 0 0 246.310 3.860 20 0 BHADRN Cc1ccc(-c2noc([C@@H](C)C3CCCC3)n2)o1 ZINC000683590570 488201537 /nfs/dbraw/zinc/20/15/37/488201537.db2.gz UAYATCRCRNGNAU-JTQLQIEISA-N 0 0 246.310 3.932 20 0 BHADRN Cc1ccc(-c2noc([C@H](C)C3CCCC3)n2)o1 ZINC000683590571 488201281 /nfs/dbraw/zinc/20/12/81/488201281.db2.gz UAYATCRCRNGNAU-SNVBAGLBSA-N 0 0 246.310 3.932 20 0 BHADRN CCC(CC)(CC)c1nc(-c2ccco2)no1 ZINC000683590995 488201546 /nfs/dbraw/zinc/20/15/46/488201546.db2.gz GOWQNZIZOIIYSH-UHFFFAOYSA-N 0 0 234.299 3.797 20 0 BHADRN CC1(C)CC[C@@H](c2nc(-c3ccco3)no2)C1 ZINC000683591008 488201549 /nfs/dbraw/zinc/20/15/49/488201549.db2.gz GZXMBDHRVBQOIO-SECBINFHSA-N 0 0 232.283 3.623 20 0 BHADRN CC1(C)CC[C@H](c2nc(-c3ccco3)no2)C1 ZINC000683591009 488201349 /nfs/dbraw/zinc/20/13/49/488201349.db2.gz GZXMBDHRVBQOIO-VIFPVBQESA-N 0 0 232.283 3.623 20 0 BHADRN CCC(C)(C)Cc1nc(-c2ccc(C)o2)no1 ZINC000683591012 488201454 /nfs/dbraw/zinc/20/14/54/488201454.db2.gz HAYBKGLXIMFPFC-UHFFFAOYSA-N 0 0 234.299 3.617 20 0 BHADRN CCC1(c2nc(-c3ccco3)no2)CCCC1 ZINC000683591020 488201270 /nfs/dbraw/zinc/20/12/70/488201270.db2.gz HKKMTBCPEQPJFQ-UHFFFAOYSA-N 0 0 232.283 3.551 20 0 BHADRN C/C(=C\c1nc(-c2ccco2)no1)C(C)(C)C ZINC000683591055 488201520 /nfs/dbraw/zinc/20/15/20/488201520.db2.gz JDAWHSMWTMKQFD-CMDGGOBGSA-N 0 0 232.283 3.779 20 0 BHADRN C/C(=C/c1nc(-c2ccco2)no1)C(C)(C)C ZINC000683591056 488201557 /nfs/dbraw/zinc/20/15/57/488201557.db2.gz JDAWHSMWTMKQFD-HJWRWDBZSA-N 0 0 232.283 3.779 20 0 BHADRN Cc1cc(-c2nc(-c3ccoc3)no2)c(C)s1 ZINC000683591059 488201247 /nfs/dbraw/zinc/20/12/47/488201247.db2.gz GOIRMLDURIGCLZ-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Cc1nc(-c2ccoc2)no1 ZINC000683591128 487676753 /nfs/dbraw/zinc/67/67/53/487676753.db2.gz ISMJEEVQRLQENQ-GHMZBOCLSA-N 0 0 246.310 3.698 20 0 BHADRN C[C@@H]1CCCC[C@H]1Cc1nc(-c2ccoc2)no1 ZINC000683591130 487676860 /nfs/dbraw/zinc/67/68/60/487676860.db2.gz ISMJEEVQRLQENQ-MNOVXSKESA-N 0 0 246.310 3.698 20 0 BHADRN C[C@H]1CCCC[C@H]1Cc1nc(-c2ccoc2)no1 ZINC000683591132 487677012 /nfs/dbraw/zinc/67/70/12/487677012.db2.gz ISMJEEVQRLQENQ-QWRGUYRKSA-N 0 0 246.310 3.698 20 0 BHADRN C[C@H]1CCCC[C@@H]1Cc1nc(-c2ccoc2)no1 ZINC000683591134 487677025 /nfs/dbraw/zinc/67/70/25/487677025.db2.gz ISMJEEVQRLQENQ-WDEREUQCSA-N 0 0 246.310 3.698 20 0 BHADRN Cc1cc(-c2nc(-c3ccco3)no2)c(C)s1 ZINC000683591446 488201252 /nfs/dbraw/zinc/20/12/52/488201252.db2.gz NTHYLBKOVUUQJX-UHFFFAOYSA-N 0 0 246.291 3.675 20 0 BHADRN c1cc(-c2noc(C3CCCCCC3)n2)co1 ZINC000683591449 488201224 /nfs/dbraw/zinc/20/12/24/488201224.db2.gz PFLZQKXHLYWARH-UHFFFAOYSA-N 0 0 232.283 3.767 20 0 BHADRN C[C@@H](Cc1nc(-c2ccoc2)no1)CC(C)(C)C ZINC000683591503 488201278 /nfs/dbraw/zinc/20/12/78/488201278.db2.gz QXJHCJAGYPSESB-JTQLQIEISA-N 0 0 248.326 3.944 20 0 BHADRN C[C@H](Cc1nc(-c2ccoc2)no1)CC(C)(C)C ZINC000683591504 488201342 /nfs/dbraw/zinc/20/13/42/488201342.db2.gz QXJHCJAGYPSESB-SNVBAGLBSA-N 0 0 248.326 3.944 20 0 BHADRN C[C@@H](c1nc(-c2ccoc2)no1)C1CCCC1 ZINC000683591754 488201478 /nfs/dbraw/zinc/20/14/78/488201478.db2.gz XOGWFBJQVXCMJQ-SECBINFHSA-N 0 0 232.283 3.623 20 0 BHADRN C[C@H](c1nc(-c2ccoc2)no1)C1CCCC1 ZINC000683591756 488201525 /nfs/dbraw/zinc/20/15/25/488201525.db2.gz XOGWFBJQVXCMJQ-VIFPVBQESA-N 0 0 232.283 3.623 20 0 BHADRN CC1(C)CC[C@@H](c2nc(-c3ccoc3)no2)C1 ZINC000683591760 488201396 /nfs/dbraw/zinc/20/13/96/488201396.db2.gz XYDLDILXSNAAAL-SECBINFHSA-N 0 0 232.283 3.623 20 0 BHADRN CC1(C)CC[C@H](c2nc(-c3ccoc3)no2)C1 ZINC000683591762 488201495 /nfs/dbraw/zinc/20/14/95/488201495.db2.gz XYDLDILXSNAAAL-VIFPVBQESA-N 0 0 232.283 3.623 20 0 BHADRN C[C@@H](c1nc(-c2ccco2)no1)C1CCCC1 ZINC000683591939 488201438 /nfs/dbraw/zinc/20/14/38/488201438.db2.gz YZSDUUMGBUSKFN-SECBINFHSA-N 0 0 232.283 3.623 20 0 BHADRN C[C@H](c1nc(-c2ccco2)no1)C1CCCC1 ZINC000683591940 488201365 /nfs/dbraw/zinc/20/13/65/488201365.db2.gz YZSDUUMGBUSKFN-VIFPVBQESA-N 0 0 232.283 3.623 20 0 BHADRN CCC(CC)(CC)c1nc(-c2ccoc2)no1 ZINC000683592192 488201358 /nfs/dbraw/zinc/20/13/58/488201358.db2.gz QTKPQXMPBIIBTH-UHFFFAOYSA-N 0 0 234.299 3.797 20 0 BHADRN C[C@H]1C[C@H]1c1nc(C(C)(C)c2ccccc2)no1 ZINC000683593059 488201916 /nfs/dbraw/zinc/20/19/16/488201916.db2.gz YQPPQOKUCMSJSF-CMPLNLGQSA-N 0 0 242.322 3.519 20 0 BHADRN C[C@H]1C[C@@H]1c1nc(C(C)(C)c2ccccc2)no1 ZINC000683593060 488201692 /nfs/dbraw/zinc/20/16/92/488201692.db2.gz YQPPQOKUCMSJSF-JQWIXIFHSA-N 0 0 242.322 3.519 20 0 BHADRN C[C@@H]1C[C@@H]1c1nc(C(C)(C)c2ccccc2)no1 ZINC000683593061 488201411 /nfs/dbraw/zinc/20/14/11/488201411.db2.gz YQPPQOKUCMSJSF-PWSUYJOCSA-N 0 0 242.322 3.519 20 0 BHADRN C[C@@H]1C[C@H]1c1nc(C(C)(C)c2ccccc2)no1 ZINC000683593062 488202038 /nfs/dbraw/zinc/20/20/38/488202038.db2.gz YQPPQOKUCMSJSF-ZYHUDNBSSA-N 0 0 242.322 3.519 20 0 BHADRN C[C@H]1C[C@H]1c1nc(-c2ccc(Cl)s2)no1 ZINC000683594415 488201798 /nfs/dbraw/zinc/20/17/98/488201798.db2.gz NYBXEUMBZBBYIE-NTSWFWBYSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@@H]1C[C@H]1c1nc(-c2ccc(Cl)s2)no1 ZINC000683594626 488201738 /nfs/dbraw/zinc/20/17/38/488201738.db2.gz NYBXEUMBZBBYIE-PHDIDXHHSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@@H]1C[C@@H]1c1nc(-c2ccc(Cl)s2)no1 ZINC000683594627 488201949 /nfs/dbraw/zinc/20/19/49/488201949.db2.gz NYBXEUMBZBBYIE-RITPCOANSA-N 0 0 240.715 3.575 20 0 BHADRN C[C@H]1C[C@@H]1c1nc(-c2ccc(Cl)s2)no1 ZINC000683594629 488198344 /nfs/dbraw/zinc/19/83/44/488198344.db2.gz NYBXEUMBZBBYIE-WDSKDSINSA-N 0 0 240.715 3.575 20 0 BHADRN CCc1ccccc1Cc1noc(C(C)(C)C)n1 ZINC000683596956 488201660 /nfs/dbraw/zinc/20/16/60/488201660.db2.gz AMKDLSRYACEXAG-UHFFFAOYSA-N 0 0 244.338 3.520 20 0 BHADRN CCCCc1nc(Cc2ccccc2CC)no1 ZINC000683597017 488201723 /nfs/dbraw/zinc/20/17/23/488201723.db2.gz COVQESMLMWYRJM-UHFFFAOYSA-N 0 0 244.338 3.565 20 0 BHADRN CCc1ccccc1Cc1noc([C@H](C)CC)n1 ZINC000683598445 488201904 /nfs/dbraw/zinc/20/19/04/488201904.db2.gz UEWGEQZWZDMDCZ-LLVKDONJSA-N 0 0 244.338 3.736 20 0 BHADRN CCc1ccccc1Cc1noc([C@@H](C)CC)n1 ZINC000683598446 488201854 /nfs/dbraw/zinc/20/18/54/488201854.db2.gz UEWGEQZWZDMDCZ-NSHDSACASA-N 0 0 244.338 3.736 20 0 BHADRN C/C=C(\C)c1nc(Cc2ccccc2CC)no1 ZINC000683598681 488201764 /nfs/dbraw/zinc/20/17/64/488201764.db2.gz NMHYZBAFUMPUEZ-NYYWCZLTSA-N 0 0 242.322 3.646 20 0 BHADRN C/C=C(/C)c1nc(Cc2ccccc2CC)no1 ZINC000683598682 488202026 /nfs/dbraw/zinc/20/20/26/488202026.db2.gz NMHYZBAFUMPUEZ-WCIBSUBMSA-N 0 0 242.322 3.646 20 0 BHADRN CCc1ccccc1Cc1noc(C=C(C)C)n1 ZINC000683598859 488201718 /nfs/dbraw/zinc/20/17/18/488201718.db2.gz PCUWUFXBSGQSJD-UHFFFAOYSA-N 0 0 242.322 3.646 20 0 BHADRN Cc1cscc1-c1noc([C@@H]2CC23CCC3)n1 ZINC000683599959 487676642 /nfs/dbraw/zinc/67/66/42/487676642.db2.gz DGAGRQTZWXTSBD-JTQLQIEISA-N 0 0 246.335 3.764 20 0 BHADRN Cc1cscc1-c1noc([C@H]2CC23CCC3)n1 ZINC000683599961 487676966 /nfs/dbraw/zinc/67/69/66/487676966.db2.gz DGAGRQTZWXTSBD-SNVBAGLBSA-N 0 0 246.335 3.764 20 0 BHADRN Cc1cc(-c2noc(C3=C(C)CCC3)n2)c(C)o1 ZINC000683601680 488202399 /nfs/dbraw/zinc/20/23/99/488202399.db2.gz AICWYAXMVXKJDA-UHFFFAOYSA-N 0 0 244.294 3.904 20 0 BHADRN Cc1cc(-c2noc([C@H]3CC34CCC4)n2)c(C)o1 ZINC000683602055 488202596 /nfs/dbraw/zinc/20/25/96/488202596.db2.gz HSSWWCYKCXMEPM-LLVKDONJSA-N 0 0 244.294 3.604 20 0 BHADRN Cc1cc(-c2noc([C@@H]3CC34CCC4)n2)c(C)o1 ZINC000683602063 488202456 /nfs/dbraw/zinc/20/24/56/488202456.db2.gz HSSWWCYKCXMEPM-NSHDSACASA-N 0 0 244.294 3.604 20 0 BHADRN Cc1cc(-c2noc(C3(C)CCCC3)n2)c(C)o1 ZINC000683602071 488202602 /nfs/dbraw/zinc/20/26/02/488202602.db2.gz IANPAXAHWJAORT-UHFFFAOYSA-N 0 0 246.310 3.778 20 0 BHADRN Cc1cc(-c2noc([C@@H]3CC[C@H](C)C3)n2)c(C)o1 ZINC000683602388 488202485 /nfs/dbraw/zinc/20/24/85/488202485.db2.gz RZSJQKPIJCOWFD-GZMMTYOYSA-N 0 0 246.310 3.850 20 0 BHADRN Cc1cc(-c2noc([C@H]3CC[C@@H](C)C3)n2)c(C)o1 ZINC000683602389 488202346 /nfs/dbraw/zinc/20/23/46/488202346.db2.gz RZSJQKPIJCOWFD-KCJUWKMLSA-N 0 0 246.310 3.850 20 0 BHADRN Cc1cc(-c2noc([C@H]3CC[C@H](C)C3)n2)c(C)o1 ZINC000683602391 488202348 /nfs/dbraw/zinc/20/23/48/488202348.db2.gz RZSJQKPIJCOWFD-KWQFWETISA-N 0 0 246.310 3.850 20 0 BHADRN Cc1cc(-c2noc([C@@H]3CC[C@@H](C)C3)n2)c(C)o1 ZINC000683602392 488202383 /nfs/dbraw/zinc/20/23/83/488202383.db2.gz RZSJQKPIJCOWFD-LDYMZIIASA-N 0 0 246.310 3.850 20 0 BHADRN CCCCc1nc(C2(CC)CCCC2)no1 ZINC000683603916 488202622 /nfs/dbraw/zinc/20/26/22/488202622.db2.gz HDGFQVJDSOFYGK-UHFFFAOYSA-N 0 0 222.332 3.634 20 0 BHADRN CCC1(c2noc([C@H]3CC34CCC4)n2)CCCC1 ZINC000683604407 488202510 /nfs/dbraw/zinc/20/25/10/488202510.db2.gz XBNFYCMXUCHGGG-LLVKDONJSA-N 0 0 246.354 3.949 20 0 BHADRN CCC1(c2noc([C@@H]3CC34CCC4)n2)CCCC1 ZINC000683604408 488202371 /nfs/dbraw/zinc/20/23/71/488202371.db2.gz XBNFYCMXUCHGGG-NSHDSACASA-N 0 0 246.354 3.949 20 0 BHADRN CCC(CC)(CC)c1nc(-c2ncoc2C)no1 ZINC000683605129 488202422 /nfs/dbraw/zinc/20/24/22/488202422.db2.gz FBVGFVCPRIUCON-UHFFFAOYSA-N 0 0 249.314 3.501 20 0 BHADRN C[C@H]1C[C@H]1c1nc(C(C)(C)C2=CCCCC2)no1 ZINC000683607357 488202614 /nfs/dbraw/zinc/20/26/14/488202614.db2.gz OZYIEBGXECBWFM-CMPLNLGQSA-N 0 0 246.354 3.971 20 0 BHADRN C[C@H]1C[C@@H]1c1nc(C(C)(C)C2=CCCCC2)no1 ZINC000683607358 488202373 /nfs/dbraw/zinc/20/23/73/488202373.db2.gz OZYIEBGXECBWFM-JQWIXIFHSA-N 0 0 246.354 3.971 20 0 BHADRN C[C@@H]1C[C@@H]1c1nc(C(C)(C)C2=CCCCC2)no1 ZINC000683607359 488202449 /nfs/dbraw/zinc/20/24/49/488202449.db2.gz OZYIEBGXECBWFM-PWSUYJOCSA-N 0 0 246.354 3.971 20 0 BHADRN C[C@@H]1C[C@H]1c1nc(C(C)(C)C2=CCCCC2)no1 ZINC000683607361 488202467 /nfs/dbraw/zinc/20/24/67/488202467.db2.gz OZYIEBGXECBWFM-ZYHUDNBSSA-N 0 0 246.354 3.971 20 0 BHADRN c1coc(SCCC2CCCCC2)n1 ZINC000683620081 487677558 /nfs/dbraw/zinc/67/75/58/487677558.db2.gz QUMKMTSYVAZZQA-UHFFFAOYSA-N 0 0 211.330 3.737 20 0 BHADRN CSc1ccc(CSc2ncco2)cc1 ZINC000683620232 488203007 /nfs/dbraw/zinc/20/30/07/488203007.db2.gz VIBXDHWTRMJFAE-UHFFFAOYSA-N 0 0 237.349 3.689 20 0 BHADRN C[C@@H](CC1CCCCC1)NC(=O)[C@H]1CC12CCC2 ZINC000683644274 488204620 /nfs/dbraw/zinc/20/46/20/488204620.db2.gz WWTVVIZEYAWQIM-GXTWGEPZSA-N 0 0 249.398 3.652 20 0 BHADRN C[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CC12CCC2 ZINC000683644275 488204664 /nfs/dbraw/zinc/20/46/64/488204664.db2.gz WWTVVIZEYAWQIM-JSGCOSHPSA-N 0 0 249.398 3.652 20 0 BHADRN Cc1ccc(CN(C)Cc2ccc[nH]2)c(Cl)c1 ZINC000683667661 488206111 /nfs/dbraw/zinc/20/61/11/488206111.db2.gz YLXVIQGZXDZGBL-UHFFFAOYSA-N 0 0 248.757 3.609 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@H]1Nc1cnn(CC2CC2)c1 ZINC000683692704 488208003 /nfs/dbraw/zinc/20/80/03/488208003.db2.gz KVOSAJKISFGMFR-BXUZGUMPSA-N 0 0 247.386 3.530 20 0 BHADRN C[C@H]1CC(C)(C)C[C@@H]1Nc1cnn(CC2CC2)c1 ZINC000683692706 488207879 /nfs/dbraw/zinc/20/78/79/488207879.db2.gz KVOSAJKISFGMFR-FZMZJTMJSA-N 0 0 247.386 3.530 20 0 BHADRN C[C@@H]1CC(C)(C)C[C@@H]1Nc1cnn(CC2CC2)c1 ZINC000683692708 488208009 /nfs/dbraw/zinc/20/80/09/488208009.db2.gz KVOSAJKISFGMFR-RISCZKNCSA-N 0 0 247.386 3.530 20 0 BHADRN C[C@H]1CC(C)(C)C[C@H]1Nc1cnn(CC2CC2)c1 ZINC000683692709 487686094 /nfs/dbraw/zinc/68/60/94/487686094.db2.gz KVOSAJKISFGMFR-SMDDNHRTSA-N 0 0 247.386 3.530 20 0 BHADRN CC(C)=CCSc1ncnc2ccc(F)cc21 ZINC000683695397 488208932 /nfs/dbraw/zinc/20/89/32/488208932.db2.gz RSNANSRFZNGEPO-UHFFFAOYSA-N 0 0 248.326 3.827 20 0 BHADRN CC(C)=CCSc1ccnc(C(C)(C)C)n1 ZINC000683695415 488208483 /nfs/dbraw/zinc/20/84/83/488208483.db2.gz SUQJHIMPYWVISI-UHFFFAOYSA-N 0 0 236.384 3.832 20 0 BHADRN Cc1ccnc(COc2cccc(C)c2Cl)c1 ZINC000683696288 488208949 /nfs/dbraw/zinc/20/89/49/488208949.db2.gz JFPBOCVJNPQNPX-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN c1cncc(COc2cccc3c2CCCC3)c1 ZINC000683696618 488209018 /nfs/dbraw/zinc/20/90/18/488209018.db2.gz RYYQYWWBHXVIPQ-UHFFFAOYSA-N 0 0 239.318 3.539 20 0 BHADRN CCOc1ccc(OC)cc1NCC1(C)CCC1 ZINC000683701734 488209931 /nfs/dbraw/zinc/20/99/31/488209931.db2.gz XNFZXKXPBIUNCL-UHFFFAOYSA-N 0 0 249.354 3.696 20 0 BHADRN CC1(CNc2nnc(C3CCCCC3)o2)CCC1 ZINC000683721787 488212446 /nfs/dbraw/zinc/21/24/46/488212446.db2.gz SYOCMYPPFYZHRI-UHFFFAOYSA-N 0 0 249.358 3.719 20 0 BHADRN CCC[C@@H](C)NC(=O)CC(C)(C)CCC ZINC000683727749 488214153 /nfs/dbraw/zinc/21/41/53/488214153.db2.gz HRMGIZZZUSWLMQ-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@H](C)NC(=O)CC(C)(C)CCC ZINC000683727750 488214324 /nfs/dbraw/zinc/21/43/24/488214324.db2.gz HRMGIZZZUSWLMQ-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CCC[C@@H](C)NC(=O)c1cccc(Cl)c1C ZINC000683727901 488214117 /nfs/dbraw/zinc/21/41/17/488214117.db2.gz KZKIDRCCCVINTE-SECBINFHSA-N 0 0 239.746 3.567 20 0 BHADRN CCC[C@H](C)NC(=O)c1cccc(Cl)c1C ZINC000683727906 488214080 /nfs/dbraw/zinc/21/40/80/488214080.db2.gz KZKIDRCCCVINTE-VIFPVBQESA-N 0 0 239.746 3.567 20 0 BHADRN c1ccc2[nH]c(-c3ccc4cnccc4c3)nc2c1 ZINC000683728912 487690729 /nfs/dbraw/zinc/69/07/29/487690729.db2.gz LZFFFRFBXMNABV-UHFFFAOYSA-N 0 0 245.285 3.778 20 0 BHADRN CCCC(C)(C)CC(=O)N(C)CCC(C)C ZINC000683732131 488214302 /nfs/dbraw/zinc/21/43/02/488214302.db2.gz QELCMHZDRGPSJA-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN C/C(=C/c1ccc2cnccc2c1)c1cnccn1 ZINC000683732294 488214126 /nfs/dbraw/zinc/21/41/26/488214126.db2.gz SJCKCJMOVDIUOH-WQLSENKSSA-N 0 0 247.301 3.585 20 0 BHADRN C/C(=C\c1ccc2cnccc2c1)c1cnccn1 ZINC000683732295 488214246 /nfs/dbraw/zinc/21/42/46/488214246.db2.gz SJCKCJMOVDIUOH-XYOKQWHBSA-N 0 0 247.301 3.585 20 0 BHADRN Cc1nnc(S[C@@H]2CCc3ccccc32)s1 ZINC000683736933 488214844 /nfs/dbraw/zinc/21/48/44/488214844.db2.gz GOCYGVWGLUBQLB-LLVKDONJSA-N 0 0 248.376 3.626 20 0 BHADRN Cc1nnc(S[C@H]2CCc3ccccc32)s1 ZINC000683736934 488214693 /nfs/dbraw/zinc/21/46/93/488214693.db2.gz GOCYGVWGLUBQLB-NSHDSACASA-N 0 0 248.376 3.626 20 0 BHADRN c1ccc(S[C@@H]2CCc3ccccc32)nc1 ZINC000683737476 488214681 /nfs/dbraw/zinc/21/46/81/488214681.db2.gz ZMAPUCJWTPSNRK-CYBMUJFWSA-N 0 0 227.332 3.861 20 0 BHADRN c1ccc(S[C@H]2CCc3ccccc32)nc1 ZINC000683737477 488214569 /nfs/dbraw/zinc/21/45/69/488214569.db2.gz ZMAPUCJWTPSNRK-ZDUSSCGKSA-N 0 0 227.332 3.861 20 0 BHADRN c1ccc2c(c1)CC[C@@H]2Sc1ccncc1 ZINC000683738600 488214707 /nfs/dbraw/zinc/21/47/07/488214707.db2.gz DIGFMPLQUBGOLN-AWEZNQCLSA-N 0 0 227.332 3.861 20 0 BHADRN c1ccc2c(c1)CC[C@H]2Sc1ccncc1 ZINC000683738601 488214676 /nfs/dbraw/zinc/21/46/76/488214676.db2.gz DIGFMPLQUBGOLN-CQSZACIVSA-N 0 0 227.332 3.861 20 0 BHADRN CCc1c[nH]c(S[C@@H]2CCc3ccccc32)n1 ZINC000683738761 488214487 /nfs/dbraw/zinc/21/44/87/488214487.db2.gz HYEUPDQEXCJYMT-CYBMUJFWSA-N 0 0 244.363 3.752 20 0 BHADRN CCc1c[nH]c(S[C@H]2CCc3ccccc32)n1 ZINC000683738764 488214502 /nfs/dbraw/zinc/21/45/02/488214502.db2.gz HYEUPDQEXCJYMT-ZDUSSCGKSA-N 0 0 244.363 3.752 20 0 BHADRN COc1cc(C)cc(NCCC(F)(F)F)c1C ZINC000683739545 488215295 /nfs/dbraw/zinc/21/52/95/488215295.db2.gz JCGSQQCBLDDBLR-UHFFFAOYSA-N 0 0 247.260 3.676 20 0 BHADRN c1cc(CNc2ccc(C3CCC3)cc2)no1 ZINC000683739996 488215455 /nfs/dbraw/zinc/21/54/55/488215455.db2.gz SYKGYLJWDSSHGR-UHFFFAOYSA-N 0 0 228.295 3.554 20 0 BHADRN CCCC(C)(C)CC(=O)N1CCC2(CC2)CC1 ZINC000683740296 488215337 /nfs/dbraw/zinc/21/53/37/488215337.db2.gz DSEJETBNFBXDAR-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1coc(S[C@@H]2CCc3ccccc32)n1 ZINC000683740989 488215329 /nfs/dbraw/zinc/21/53/29/488215329.db2.gz KKCJDFRQAHRTQI-GFCCVEGCSA-N 0 0 231.320 3.763 20 0 BHADRN Cc1coc(S[C@H]2CCc3ccccc32)n1 ZINC000683740990 488215266 /nfs/dbraw/zinc/21/52/66/488215266.db2.gz KKCJDFRQAHRTQI-LBPRGKRZSA-N 0 0 231.320 3.763 20 0 BHADRN CCC/C=C/c1nc(Cc2cccc(F)c2)no1 ZINC000683748828 488216446 /nfs/dbraw/zinc/21/64/46/488216446.db2.gz OSJMGLHARBDQOK-XBXARRHUSA-N 0 0 246.285 3.613 20 0 BHADRN CCC/C=C\c1nc(Cc2cccc(F)c2)no1 ZINC000683748829 488215928 /nfs/dbraw/zinc/21/59/28/488215928.db2.gz OSJMGLHARBDQOK-YWEYNIOJSA-N 0 0 246.285 3.613 20 0 BHADRN Fc1cccc2oc(NCCCC3CC3)nc21 ZINC000683748903 488216248 /nfs/dbraw/zinc/21/62/48/488216248.db2.gz IFPUYBDGIPXXNM-UHFFFAOYSA-N 0 0 234.274 3.569 20 0 BHADRN COc1cccc2sc(NCC3(C)CC3)nc21 ZINC000683750623 488216050 /nfs/dbraw/zinc/21/60/50/488216050.db2.gz BOLIHPINPRPFNU-UHFFFAOYSA-N 0 0 248.351 3.517 20 0 BHADRN Cc1ccc(NCc2ccc3cnccc3c2)nc1 ZINC000683750752 488216272 /nfs/dbraw/zinc/21/62/72/488216272.db2.gz 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C[C@H]1C[C@H]1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000683769557 488218017 /nfs/dbraw/zinc/21/80/17/488218017.db2.gz WTSBHRRGKRQTFU-IINYFYTJSA-N 0 0 229.323 3.549 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000683769558 488218159 /nfs/dbraw/zinc/21/81/59/488218159.db2.gz WTSBHRRGKRQTFU-QMTHXVAHSA-N 0 0 229.323 3.549 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000683769559 488218344 /nfs/dbraw/zinc/21/83/44/488218344.db2.gz WTSBHRRGKRQTFU-YGRLFVJLSA-N 0 0 229.323 3.549 20 0 BHADRN CC(C)n1ncc2cc(NCC3(C)CC3)ccc21 ZINC000683773042 488219508 /nfs/dbraw/zinc/21/95/08/488219508.db2.gz RGXKCOOJYXRMBY-UHFFFAOYSA-N 0 0 243.354 3.829 20 0 BHADRN Cc1coc(-c2cccc(NCC3(C)CC3)c2)n1 ZINC000683773580 488219297 /nfs/dbraw/zinc/21/92/97/488219297.db2.gz IIVAXONOPFKZOJ-UHFFFAOYSA-N 0 0 242.322 3.862 20 0 BHADRN C[C@@H](C(=O)N(C)C1(C)CCCC1)C1CCCC1 ZINC000683811814 488224672 /nfs/dbraw/zinc/22/46/72/488224672.db2.gz JJZIJNIAXXPFIA-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN 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BHADRN CCCC[C@H]1CCC[C@@H]1NC(=O)CCC(F)F ZINC000684430448 488306655 /nfs/dbraw/zinc/30/66/55/488306655.db2.gz ZCEAPAJOCYDHBY-QWRGUYRKSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@H]1CCC[C@H]1NC(=O)CCC(F)F ZINC000684430449 488307000 /nfs/dbraw/zinc/30/70/00/488307000.db2.gz ZCEAPAJOCYDHBY-WDEREUQCSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)CCC(F)F ZINC000684431022 488312121 /nfs/dbraw/zinc/31/21/21/488312121.db2.gz JNTHJRQNIXGGPT-UHFFFAOYSA-N 0 0 249.345 3.609 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)CCC(F)F ZINC000684432010 488312399 /nfs/dbraw/zinc/31/23/99/488312399.db2.gz WBGLRGIWESCDAI-GHMZBOCLSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)CCC(F)F ZINC000684432011 488312289 /nfs/dbraw/zinc/31/22/89/488312289.db2.gz WBGLRGIWESCDAI-MNOVXSKESA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1NC(=O)CCC(F)F ZINC000684432012 488312177 /nfs/dbraw/zinc/31/21/77/488312177.db2.gz WBGLRGIWESCDAI-QWRGUYRKSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H]1CCCC[C@H]1NC(=O)CCC(F)F ZINC000684432013 488312168 /nfs/dbraw/zinc/31/21/68/488312168.db2.gz WBGLRGIWESCDAI-WDEREUQCSA-N 0 0 247.329 3.507 20 0 BHADRN O=C(CCC(F)F)NCCCCC1CCCC1 ZINC000684450176 488314846 /nfs/dbraw/zinc/31/48/46/488314846.db2.gz ACBAGSBUKUYBTE-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)CCC(F)F ZINC000684451436 488314848 /nfs/dbraw/zinc/31/48/48/488314848.db2.gz ZEDMPYNHBXASOF-UHFFFAOYSA-N 0 0 247.672 3.632 20 0 BHADRN CCCC[C@@H](CCC)CNC(=O)CCC(F)F ZINC000684456178 488315423 /nfs/dbraw/zinc/31/54/23/488315423.db2.gz MWOJWOKLNPSBBS-LLVKDONJSA-N 0 0 249.345 3.754 20 0 BHADRN CCCC[C@H](CCC)CNC(=O)CCC(F)F ZINC000684456179 488315411 /nfs/dbraw/zinc/31/54/11/488315411.db2.gz MWOJWOKLNPSBBS-NSHDSACASA-N 0 0 249.345 3.754 20 0 BHADRN CCCC[C@H](CCC)NC(=O)CCC(F)F ZINC000684456233 488315436 /nfs/dbraw/zinc/31/54/36/488315436.db2.gz WKDLGBNLXHOSMS-JTQLQIEISA-N 0 0 235.318 3.507 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)CCC(F)F ZINC000684456234 488315414 /nfs/dbraw/zinc/31/54/14/488315414.db2.gz WKDLGBNLXHOSMS-SNVBAGLBSA-N 0 0 235.318 3.507 20 0 BHADRN CCC(CC)N(CC(C)C)C(=O)CCC(F)F ZINC000684456256 488315353 /nfs/dbraw/zinc/31/53/53/488315353.db2.gz WUELQGUDHJELKB-UHFFFAOYSA-N 0 0 249.345 3.705 20 0 BHADRN CCCC[C@@H](NC(=O)CCC(F)F)C1CCC1 ZINC000684458591 488315633 /nfs/dbraw/zinc/31/56/33/488315633.db2.gz XVQNWPWLSKBVHW-LLVKDONJSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@H](NC(=O)CCC(F)F)C1CCC1 ZINC000684458593 488315626 /nfs/dbraw/zinc/31/56/26/488315626.db2.gz XVQNWPWLSKBVHW-NSHDSACASA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)(CC(=O)NC1CC=CC1)C1CCCCC1 ZINC000684459333 488316172 /nfs/dbraw/zinc/31/61/72/488316172.db2.gz HVKMXMGRPAXVRJ-UHFFFAOYSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)CN(CC(C)(C)C)C(=O)CCC(F)F ZINC000684461385 488316407 /nfs/dbraw/zinc/31/64/07/488316407.db2.gz PRICOEAHJIWLGE-UHFFFAOYSA-N 0 0 249.345 3.562 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)CCC(F)F)c1 ZINC000684461566 488316441 /nfs/dbraw/zinc/31/64/41/488316441.db2.gz UAKJPYJDFDCNID-UHFFFAOYSA-N 0 0 247.672 3.632 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000684462111 488316488 /nfs/dbraw/zinc/31/64/88/488316488.db2.gz VSCGKGFATGZXLO-CMPLNLGQSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000684462112 488316538 /nfs/dbraw/zinc/31/65/38/488316538.db2.gz VSCGKGFATGZXLO-JQWIXIFHSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000684462113 488316308 /nfs/dbraw/zinc/31/63/08/488316308.db2.gz VSCGKGFATGZXLO-PWSUYJOCSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000684462114 488316502 /nfs/dbraw/zinc/31/65/02/488316502.db2.gz VSCGKGFATGZXLO-ZYHUDNBSSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)CCC(F)F ZINC000684462690 488316458 /nfs/dbraw/zinc/31/64/58/488316458.db2.gz IBLLAJWQDALXHQ-LLVKDONJSA-N 0 0 247.329 3.603 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)CCC(F)F ZINC000684462691 488316484 /nfs/dbraw/zinc/31/64/84/488316484.db2.gz IBLLAJWQDALXHQ-NSHDSACASA-N 0 0 247.329 3.603 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@H](C)C1CCC1 ZINC000684467854 488317629 /nfs/dbraw/zinc/31/76/29/488317629.db2.gz IGALYMNXIGUDKC-BXUZGUMPSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@@H](C)C1CCC1 ZINC000684467855 488317638 /nfs/dbraw/zinc/31/76/38/488317638.db2.gz IGALYMNXIGUDKC-FZMZJTMJSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@](C)(CC)C(=O)N[C@H](C)C1CCC1 ZINC000684467856 488317605 /nfs/dbraw/zinc/31/76/05/488317605.db2.gz IGALYMNXIGUDKC-RISCZKNCSA-N 0 0 225.376 3.508 20 0 BHADRN CCC[C@@](C)(CC)C(=O)N[C@@H](C)C1CCC1 ZINC000684467857 488317519 /nfs/dbraw/zinc/31/75/19/488317519.db2.gz IGALYMNXIGUDKC-SMDDNHRTSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)C1CCC1 ZINC000684468706 488317608 /nfs/dbraw/zinc/31/76/08/488317608.db2.gz YBYMQADWFIBPLL-BZPMIXESSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)C1CCC1 ZINC000684468707 488317544 /nfs/dbraw/zinc/31/75/44/488317544.db2.gz YBYMQADWFIBPLL-OUCADQQQSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C1CCC1 ZINC000684468708 488317439 /nfs/dbraw/zinc/31/74/39/488317439.db2.gz YBYMQADWFIBPLL-SCRDCRAPSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)C1CCC1 ZINC000684468709 488317659 /nfs/dbraw/zinc/31/76/59/488317659.db2.gz YBYMQADWFIBPLL-YRGRVCCFSA-N 0 0 237.387 3.508 20 0 BHADRN CCc1ccc(NC(=O)CCC(F)F)cc1C ZINC000684469696 488317883 /nfs/dbraw/zinc/31/78/83/488317883.db2.gz CCFRVQMLHUKREJ-UHFFFAOYSA-N 0 0 241.281 3.541 20 0 BHADRN CCC[C@](C)(CC)C(=O)Nc1cccc(C)c1O ZINC000684471136 488318338 /nfs/dbraw/zinc/31/83/38/488318338.db2.gz RSZVTDGTOAOGCN-HNNXBMFYSA-N 0 0 249.354 3.856 20 0 BHADRN CCC[C@@](C)(CC)C(=O)Nc1cccc(C)c1O ZINC000684471138 488318476 /nfs/dbraw/zinc/31/84/76/488318476.db2.gz RSZVTDGTOAOGCN-OAHLLOKOSA-N 0 0 249.354 3.856 20 0 BHADRN O=C(CCC(F)F)Nc1ccc(C2CC2)cc1 ZINC000684471285 488318356 /nfs/dbraw/zinc/31/83/56/488318356.db2.gz CMYABLKBRVYXQO-UHFFFAOYSA-N 0 0 239.265 3.548 20 0 BHADRN CC1(CNC(=O)CCC(F)F)CCCCCC1 ZINC000684472957 488318683 /nfs/dbraw/zinc/31/86/83/488318683.db2.gz KXRMSPMRFHMDNN-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CC(C)(CC(=O)N1CC=CCC1)C1CCCCC1 ZINC000684473017 488318807 /nfs/dbraw/zinc/31/88/07/488318807.db2.gz LISCNBYYCBNKTR-UHFFFAOYSA-N 0 0 249.398 3.772 20 0 BHADRN CCc1cc(NC(=O)CCC(F)F)ccc1C ZINC000684474082 488319192 /nfs/dbraw/zinc/31/91/92/488319192.db2.gz ZQKJMLQAPUDICX-UHFFFAOYSA-N 0 0 241.281 3.541 20 0 BHADRN CCC1(CNC(=O)CCC(F)F)CCCCC1 ZINC000684477814 487921105 /nfs/dbraw/zinc/92/11/05/487921105.db2.gz UXNODULOZNXZEP-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN C[C@@H](CCNC(=O)CCC(F)F)CC(C)(C)C ZINC000684490892 488321473 /nfs/dbraw/zinc/32/14/73/488321473.db2.gz TYTCEFDSRVUEFV-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN C[C@H](CCNC(=O)CCC(F)F)CC(C)(C)C ZINC000684490893 488318344 /nfs/dbraw/zinc/31/83/44/488318344.db2.gz TYTCEFDSRVUEFV-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN C[C@@H](CC1CCCCC1)NC(=O)CCC(F)F ZINC000684496061 488322087 /nfs/dbraw/zinc/32/20/87/488322087.db2.gz FGAGOXKOTLSARJ-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN C[C@H](CC1CCCCC1)NC(=O)CCC(F)F ZINC000684496156 488322281 /nfs/dbraw/zinc/32/22/81/488322281.db2.gz FGAGOXKOTLSARJ-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CC1CCC(C)(CNC(=O)[C@H]2CC23CCC3)CC1 ZINC000684499747 487930772 /nfs/dbraw/zinc/93/07/72/487930772.db2.gz GANMGFKTVDYQOY-JVWICGRDSA-N 0 0 249.398 3.509 20 0 BHADRN CC1CCC(C)(CNC(=O)[C@@H]2CC23CCC3)CC1 ZINC000684499748 487930531 /nfs/dbraw/zinc/93/05/31/487930531.db2.gz GANMGFKTVDYQOY-OWYJLGKBSA-N 0 0 249.398 3.509 20 0 BHADRN CCC(CC)(CC)C(=O)NC[C@@H]1CC[C@@H](C)C1 ZINC000684511649 488324044 /nfs/dbraw/zinc/32/40/44/488324044.db2.gz MRSXJXFPDDJUPX-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(CC)(CC)C(=O)NC[C@H]1CC[C@@H](C)C1 ZINC000684511650 488323977 /nfs/dbraw/zinc/32/39/77/488323977.db2.gz MRSXJXFPDDJUPX-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(CC)(CC)C(=O)NC[C@@H]1CC[C@H](C)C1 ZINC000684511656 488324027 /nfs/dbraw/zinc/32/40/27/488324027.db2.gz MRSXJXFPDDJUPX-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CCC(CC)(CC)C(=O)NC[C@H]1CC[C@H](C)C1 ZINC000684511657 488324035 /nfs/dbraw/zinc/32/40/35/488324035.db2.gz MRSXJXFPDDJUPX-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CCC(C)(CC)C(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC000684515100 488324674 /nfs/dbraw/zinc/32/46/74/488324674.db2.gz ZMPXYSLYHUUPGD-GFCCVEGCSA-N 0 0 239.403 3.850 20 0 BHADRN CCC(C)(CC)C(=O)N(C)[C@H]1CCC(C)(C)C1 ZINC000684515101 488324634 /nfs/dbraw/zinc/32/46/34/488324634.db2.gz ZMPXYSLYHUUPGD-LBPRGKRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCN(CC1CCC1)C(=O)C(CC)(CC)CC ZINC000684516749 488325040 /nfs/dbraw/zinc/32/50/40/488325040.db2.gz IFFRKIVWLQUIIX-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@@H](C(=O)N(CC1CC1)C1CCC1)C1CCCC1 ZINC000684530887 488326098 /nfs/dbraw/zinc/32/60/98/488326098.db2.gz AENQJVMUVQJJQT-GFCCVEGCSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H](C(=O)N(CC1CC1)C1CCC1)C1CCCC1 ZINC000684530891 488326246 /nfs/dbraw/zinc/32/62/46/488326246.db2.gz AENQJVMUVQJJQT-LBPRGKRZSA-N 0 0 249.398 3.604 20 0 BHADRN Cc1cc(C)nc(SCc2cncc(F)c2)c1 ZINC000684558513 488327124 /nfs/dbraw/zinc/32/71/24/488327124.db2.gz IXTCXESUHNLSFG-UHFFFAOYSA-N 0 0 248.326 3.525 20 0 BHADRN CCc1cc(NCc2c(F)cccc2CC)no1 ZINC000684562765 488327610 /nfs/dbraw/zinc/32/76/10/488327610.db2.gz BLARSKAQCROJRX-UHFFFAOYSA-N 0 0 248.301 3.551 20 0 BHADRN CCCc1ccc(CNc2ncccc2F)cc1 ZINC000684562818 488327454 /nfs/dbraw/zinc/32/74/54/488327454.db2.gz FSXGBMJTBDGTRU-UHFFFAOYSA-N 0 0 244.313 3.785 20 0 BHADRN CC(C)CCN(C)C(=O)c1ccoc1C(C)C ZINC000684564050 488327642 /nfs/dbraw/zinc/32/76/42/488327642.db2.gz WDADEYIAXWGQFJ-UHFFFAOYSA-N 0 0 237.343 3.521 20 0 BHADRN Cc1cccc2nc(N3CC(C(C)C)C3)sc21 ZINC000684579357 488328819 /nfs/dbraw/zinc/32/88/19/488328819.db2.gz JBEGABZVPWQGHW-UHFFFAOYSA-N 0 0 246.379 3.697 20 0 BHADRN Cc1ccc2oc(NC(C)(C)C(F)F)nc2c1 ZINC000684594800 488330220 /nfs/dbraw/zinc/33/02/20/488330220.db2.gz MYXNCDWVSODPDW-UHFFFAOYSA-N 0 0 240.253 3.592 20 0 BHADRN CCC[C@@H](CC)Sc1cc(CC)ncn1 ZINC000684598698 488330488 /nfs/dbraw/zinc/33/04/88/488330488.db2.gz CSCALNXJZBCWMQ-LLVKDONJSA-N 0 0 224.373 3.710 20 0 BHADRN CCC[C@H](CC)Sc1cc(CC)ncn1 ZINC000684598699 488330677 /nfs/dbraw/zinc/33/06/77/488330677.db2.gz CSCALNXJZBCWMQ-NSHDSACASA-N 0 0 224.373 3.710 20 0 BHADRN CCC[C@@H](CC)Sc1cc2c(nn1)CCC2 ZINC000684599238 488330592 /nfs/dbraw/zinc/33/05/92/488330592.db2.gz OWGBJRMJOOCDIN-LLVKDONJSA-N 0 0 236.384 3.636 20 0 BHADRN CCC[C@H](CC)Sc1cc2c(nn1)CCC2 ZINC000684599241 488328649 /nfs/dbraw/zinc/32/86/49/488328649.db2.gz OWGBJRMJOOCDIN-NSHDSACASA-N 0 0 236.384 3.636 20 0 BHADRN CC1=C(C)CN(c2nccc3sccc32)CC1 ZINC000684604676 488331309 /nfs/dbraw/zinc/33/13/09/488331309.db2.gz DQBSEDXWOJGUOI-UHFFFAOYSA-N 0 0 244.363 3.843 20 0 BHADRN c1cc2ncnc(Sc3ccccc3)c2s1 ZINC000684616089 488331943 /nfs/dbraw/zinc/33/19/43/488331943.db2.gz JWSCEIFTHQUOIY-UHFFFAOYSA-N 0 0 244.344 3.843 20 0 BHADRN Cc1cc(C(=O)N2CCC(C)=C(C)C2)c(C)s1 ZINC000684621093 488333826 /nfs/dbraw/zinc/33/38/26/488333826.db2.gz IGRZBNQMNQLMAP-UHFFFAOYSA-N 0 0 249.379 3.547 20 0 BHADRN CCC(CC)(CC)C(=O)N1CCC(C)=C(C)C1 ZINC000684621471 487948637 /nfs/dbraw/zinc/94/86/37/487948637.db2.gz RQDZGSJFFGSMPU-UHFFFAOYSA-N 0 0 237.387 3.772 20 0 BHADRN CN(c1nc2ccccc2s1)C1CCCC1 ZINC000684622424 488334827 /nfs/dbraw/zinc/33/48/27/488334827.db2.gz VTDBIFSXEGCLMY-UHFFFAOYSA-N 0 0 232.352 3.675 20 0 BHADRN CC(C)N(C(=O)CCC(F)F)C1CCCCC1 ZINC000684629744 488335630 /nfs/dbraw/zinc/33/56/30/488335630.db2.gz DYUJSKQBSRXTCH-UHFFFAOYSA-N 0 0 247.329 3.601 20 0 BHADRN CCc1cc(C)cc(CC)c1NC(=O)[C@@H]1C[C@H]1C ZINC000684642658 488336570 /nfs/dbraw/zinc/33/65/70/488336570.db2.gz GQCJFHQUKWQWFH-BXUZGUMPSA-N 0 0 245.366 3.714 20 0 BHADRN CCc1cc(C)cc(CC)c1NC(=O)[C@H]1C[C@@H]1C ZINC000684642661 488336632 /nfs/dbraw/zinc/33/66/32/488336632.db2.gz GQCJFHQUKWQWFH-FZMZJTMJSA-N 0 0 245.366 3.714 20 0 BHADRN CCc1cc(C)cc(CC)c1NC(=O)[C@H]1C[C@H]1C ZINC000684642663 488336345 /nfs/dbraw/zinc/33/63/45/488336345.db2.gz GQCJFHQUKWQWFH-RISCZKNCSA-N 0 0 245.366 3.714 20 0 BHADRN CCc1cc(C)cc(CC)c1NC(=O)[C@@H]1C[C@@H]1C ZINC000684642665 488336309 /nfs/dbraw/zinc/33/63/09/488336309.db2.gz GQCJFHQUKWQWFH-SMDDNHRTSA-N 0 0 245.366 3.714 20 0 BHADRN CC1=C[C@H](C)CN(c2nccc3sccc32)C1 ZINC000684656591 488337208 /nfs/dbraw/zinc/33/72/08/488337208.db2.gz HWQHQLROLPFQKL-JTQLQIEISA-N 0 0 244.363 3.699 20 0 BHADRN CC1=C[C@@H](C)CN(c2nccc3sccc32)C1 ZINC000684656592 488336977 /nfs/dbraw/zinc/33/69/77/488336977.db2.gz HWQHQLROLPFQKL-SNVBAGLBSA-N 0 0 244.363 3.699 20 0 BHADRN CC[C@H](C)CCCCC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000684674750 488337930 /nfs/dbraw/zinc/33/79/30/488337930.db2.gz NQTCKZNBHYZWSC-FPMFFAJLSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](C)CCCCC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000684674751 488338138 /nfs/dbraw/zinc/33/81/38/488338138.db2.gz NQTCKZNBHYZWSC-KWCYVHTRSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(CC)(CC)C(=O)N1CC(C)=C[C@@H](C)C1 ZINC000684710039 488339682 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AOEGGKIZJLAIFD-GFCCVEGCSA-N 0 0 249.398 3.890 20 0 BHADRN Cc1cc(C)c(NC[C@@H](C)CC(C)C)cc1CO ZINC000684891060 487973110 /nfs/dbraw/zinc/97/31/10/487973110.db2.gz AOEGGKIZJLAIFD-LBPRGKRZSA-N 0 0 249.398 3.890 20 0 BHADRN CCC(C)(C)N(C)C(=O)NC1CCCCCC1 ZINC000684898852 488350958 /nfs/dbraw/zinc/35/09/58/488350958.db2.gz BLLNWEHFKZLNPP-UHFFFAOYSA-N 0 0 240.391 3.539 20 0 BHADRN CCC(C)(C)N(C)C(=O)N[C@H](C)CCC(C)C ZINC000684899183 488351244 /nfs/dbraw/zinc/35/12/44/488351244.db2.gz JJGATENGVDGKIF-GFCCVEGCSA-N 0 0 242.407 3.641 20 0 BHADRN CCC(C)(C)N(C)C(=O)N[C@@H](C)CCC(C)C ZINC000684899188 488351350 /nfs/dbraw/zinc/35/13/50/488351350.db2.gz JJGATENGVDGKIF-LBPRGKRZSA-N 0 0 242.407 3.641 20 0 BHADRN CCC(C)(C)N(C)C(=O)N[C@H](C)c1ccccc1 ZINC000684899647 488351384 /nfs/dbraw/zinc/35/13/84/488351384.db2.gz RLVMQOJBABDDIQ-GFCCVEGCSA-N 0 0 248.370 3.578 20 0 BHADRN CCC(C)(C)N(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000684899648 488351277 /nfs/dbraw/zinc/35/12/77/488351277.db2.gz RLVMQOJBABDDIQ-LBPRGKRZSA-N 0 0 248.370 3.578 20 0 BHADRN CCC(C)(C)N(C)C(=O)N(CC(C)C)C(C)C ZINC000684902006 488351598 /nfs/dbraw/zinc/35/15/98/488351598.db2.gz KOEYOUDSBDQKFD-UHFFFAOYSA-N 0 0 242.407 3.593 20 0 BHADRN CCC(C)(C)N(C)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000684902262 488351653 /nfs/dbraw/zinc/35/16/53/488351653.db2.gz NDSRDTPKIHBVHG-LLVKDONJSA-N 0 0 242.407 3.593 20 0 BHADRN CCC(C)(C)N(C)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000684902263 488351618 /nfs/dbraw/zinc/35/16/18/488351618.db2.gz NDSRDTPKIHBVHG-NSHDSACASA-N 0 0 242.407 3.593 20 0 BHADRN CCC(C)(C)N(C)C(=O)NC1(C)CCCCC1 ZINC000684903747 488351305 /nfs/dbraw/zinc/35/13/05/488351305.db2.gz KGRQXEVROOGPJZ-UHFFFAOYSA-N 0 0 240.391 3.539 20 0 BHADRN CC(C)(CNc1cncc(F)c1)c1ccccc1 ZINC000684904078 487975309 /nfs/dbraw/zinc/97/53/09/487975309.db2.gz MQQKDFRWLGTJSV-UHFFFAOYSA-N 0 0 244.313 3.610 20 0 BHADRN CCCc1ccc(CNc2cncc(F)c2)cc1 ZINC000684904770 488351556 /nfs/dbraw/zinc/35/15/56/488351556.db2.gz YEOPVVQVDJFXIM-UHFFFAOYSA-N 0 0 244.313 3.785 20 0 BHADRN 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712206807 /nfs/dbraw/zinc/20/68/07/712206807.db2.gz KHYJSLBHNGHBJC-UHFFFAOYSA-N 0 0 243.354 3.591 20 0 BHADRN CC(=O)c1ccc(F)c(OCc2ccccc2)c1 ZINC000709659856 712214896 /nfs/dbraw/zinc/21/48/96/712214896.db2.gz UJRQEDKDTWFJTB-UHFFFAOYSA-N 0 0 244.265 3.607 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(OCC2CC2)cc1 ZINC000709671616 712214650 /nfs/dbraw/zinc/21/46/50/712214650.db2.gz JNHUWFJJHZOFBB-GFCCVEGCSA-N 0 0 233.355 3.932 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(OCC2CC2)cc1 ZINC000709671619 712215603 /nfs/dbraw/zinc/21/56/03/712215603.db2.gz JNHUWFJJHZOFBB-LBPRGKRZSA-N 0 0 233.355 3.932 20 0 BHADRN CCCCNC(=S)Nc1ccc(C2CC2)cc1 ZINC000709696991 712216378 /nfs/dbraw/zinc/21/63/78/712216378.db2.gz NYBOEWJXKGMWLK-UHFFFAOYSA-N 0 0 248.395 3.651 20 0 BHADRN C/C=C/C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000709738223 712217277 /nfs/dbraw/zinc/21/72/77/712217277.db2.gz AMJIBKZKPBHCSA-FARCUNLSSA-N 0 0 237.302 3.868 20 0 BHADRN C/C=C\C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000709738224 712217704 /nfs/dbraw/zinc/21/77/04/712217704.db2.gz 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BHADRN Cc1conc1CNc1ccccc1C(C)C ZINC000720411387 712840829 /nfs/dbraw/zinc/84/08/29/712840829.db2.gz XQQGMAFSUFHKCO-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN Cc1cc(CNc2ccc(C(F)F)cc2)no1 ZINC000720419597 712841115 /nfs/dbraw/zinc/84/11/15/712841115.db2.gz JJTMHHDWEGDFNH-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN Cc1conc1CNc1ccc(C(C)(C)C)cc1 ZINC000720419738 712841201 /nfs/dbraw/zinc/84/12/01/712841201.db2.gz LITPCWHUBIMRSE-UHFFFAOYSA-N 0 0 244.338 3.893 20 0 BHADRN CCCc1ccc(NCc2nocc2C)cc1 ZINC000720419804 712389057 /nfs/dbraw/zinc/38/90/57/712389057.db2.gz LZFVDNBTXFIEQL-UHFFFAOYSA-N 0 0 230.311 3.548 20 0 BHADRN Cc1conc1CNc1ccc(C(C)C)cc1 ZINC000720419843 712841158 /nfs/dbraw/zinc/84/11/58/712841158.db2.gz MXXVQWOPXFSWQR-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN CCCc1ccccc1NCc1nocc1C ZINC000720420535 712841160 /nfs/dbraw/zinc/84/11/60/712841160.db2.gz TVGFJTIGNJZTRC-UHFFFAOYSA-N 0 0 230.311 3.548 20 0 BHADRN Cc1conc1CNc1ccccc1C(C)(C)C ZINC000720421018 712841555 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ZINC000726832172 583377432 /nfs/dbraw/zinc/37/74/32/583377432.db2.gz RKLHTDGKEZUQDE-UHFFFAOYSA-N 0 0 234.339 3.783 20 0 BHADRN CCC(C)(C)C(=O)OC/C=C/c1ccccc1 ZINC000726832409 583377428 /nfs/dbraw/zinc/37/74/28/583377428.db2.gz YOGSVXVLCBTRBB-DHZHZOJOSA-N 0 0 232.323 3.679 20 0 BHADRN CCC(C)(C)C(=O)OC/C=C\c1ccccc1 ZINC000726832410 583377480 /nfs/dbraw/zinc/37/74/80/583377480.db2.gz YOGSVXVLCBTRBB-FLIBITNWSA-N 0 0 232.323 3.679 20 0 BHADRN CC(=O)CCSc1cccc(C(F)(F)F)c1 ZINC000726836165 583377509 /nfs/dbraw/zinc/37/75/09/583377509.db2.gz KEPHWLUYKXZWMR-UHFFFAOYSA-N 0 0 248.269 3.777 20 0 BHADRN CC(C)COC(=O)C[C@@H](C)c1ccccc1F ZINC000726842960 583376385 /nfs/dbraw/zinc/37/63/85/583376385.db2.gz WJZJEASLLBQSQB-LLVKDONJSA-N 0 0 238.302 3.519 20 0 BHADRN CC(C)COC(=O)C[C@H](C)c1ccccc1F ZINC000726842961 583376752 /nfs/dbraw/zinc/37/67/52/583376752.db2.gz WJZJEASLLBQSQB-NSHDSACASA-N 0 0 238.302 3.519 20 0 BHADRN CCCCOC(=O)C[C@@H](C)c1ccccc1F ZINC000726845657 583378379 /nfs/dbraw/zinc/37/83/79/583378379.db2.gz YBWRSECOLFAKDF-LLVKDONJSA-N 0 0 238.302 3.663 20 0 BHADRN CCCCOC(=O)C[C@H](C)c1ccccc1F ZINC000726845659 583378468 /nfs/dbraw/zinc/37/84/68/583378468.db2.gz YBWRSECOLFAKDF-NSHDSACASA-N 0 0 238.302 3.663 20 0 BHADRN CCC(C)(C)C(=O)O[C@H](C)Cc1ccccc1 ZINC000726859471 583379084 /nfs/dbraw/zinc/37/90/84/583379084.db2.gz CKLFMZXUAAERCW-GFCCVEGCSA-N 0 0 234.339 3.597 20 0 BHADRN CCC(C)(C)C(=O)O[C@@H](C)Cc1ccccc1 ZINC000726859472 583379246 /nfs/dbraw/zinc/37/92/46/583379246.db2.gz CKLFMZXUAAERCW-LBPRGKRZSA-N 0 0 234.339 3.597 20 0 BHADRN Cc1cccc(CC(=O)OCCC2CCCC2)c1 ZINC000726859488 583379114 /nfs/dbraw/zinc/37/91/14/583379114.db2.gz DENOKSJKYVUSBD-UHFFFAOYSA-N 0 0 246.350 3.661 20 0 BHADRN Cc1cccc(CC(=O)OCCCC(C)C)c1 ZINC000726859686 583379359 /nfs/dbraw/zinc/37/93/59/583379359.db2.gz JUEQNQIJPOBCHN-UHFFFAOYSA-N 0 0 234.339 3.517 20 0 BHADRN CCC(C)(C)C(=O)OCC(C)(C)c1ccccc1 ZINC000726859781 583379505 /nfs/dbraw/zinc/37/95/05/583379505.db2.gz PQPCSRUGZDNYEN-UHFFFAOYSA-N 0 0 248.366 3.944 20 0 BHADRN CCC(C)(C)C(=O)O[C@@H](C)c1ccc(F)cc1 ZINC000726860174 583379042 /nfs/dbraw/zinc/37/90/42/583379042.db2.gz SGVOOYMVOOAQKU-JTQLQIEISA-N 0 0 238.302 3.866 20 0 BHADRN CCC(C)(C)C(=O)O[C@H](C)c1ccc(F)cc1 ZINC000726860176 583379574 /nfs/dbraw/zinc/37/95/74/583379574.db2.gz SGVOOYMVOOAQKU-SNVBAGLBSA-N 0 0 238.302 3.866 20 0 BHADRN CCC(C)(C)C(=O)OCCC1CCCC1 ZINC000726860770 583378889 /nfs/dbraw/zinc/37/88/89/583378889.db2.gz UCTSKSLQLYYAIL-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN C/C(=C\C(=O)N(C)CC(C)(C)C)c1ccccc1 ZINC000726923514 583454376 /nfs/dbraw/zinc/45/43/76/583454376.db2.gz JJRUYRHUERYXPG-ACCUITESSA-N 0 0 245.366 3.594 20 0 BHADRN C/C(=C/C(=O)N(C)CC(C)(C)C)c1ccccc1 ZINC000726923515 583454381 /nfs/dbraw/zinc/45/43/81/583454381.db2.gz JJRUYRHUERYXPG-QBFSEMIESA-N 0 0 245.366 3.594 20 0 BHADRN CC/C=C(/C)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000726930957 583472495 /nfs/dbraw/zinc/47/24/95/583472495.db2.gz GZXFXMVFHKPUJR-RDQDRAATSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C=C(/C)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000726930958 583472356 /nfs/dbraw/zinc/47/23/56/583472356.db2.gz GZXFXMVFHKPUJR-SEVUFMINSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C=C(\C)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000726930959 583472712 /nfs/dbraw/zinc/47/27/12/583472712.db2.gz GZXFXMVFHKPUJR-VNKGSWCUSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C=C(\C)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000726930960 583472982 /nfs/dbraw/zinc/47/29/82/583472982.db2.gz GZXFXMVFHKPUJR-YTRUQHMWSA-N 0 0 247.338 3.689 20 0 BHADRN CSCCN(C)c1ccc2ccccc2c1 ZINC000726935352 583506927 /nfs/dbraw/zinc/50/69/27/583506927.db2.gz FEKIUGVIHWGCIG-UHFFFAOYSA-N 0 0 231.364 3.639 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc2[nH]ccc21 ZINC000726947396 583537881 /nfs/dbraw/zinc/53/78/81/583537881.db2.gz LCXAJSHROAHUST-KHPPLWFESA-N 0 0 242.322 3.853 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc2[nH]ccc21 ZINC000726947398 583537717 /nfs/dbraw/zinc/53/77/17/583537717.db2.gz LCXAJSHROAHUST-ZHACJKMWSA-N 0 0 242.322 3.853 20 0 BHADRN O=C(C=C1CCCC1)Nc1cccc2[nH]ccc21 ZINC000726947828 583539179 /nfs/dbraw/zinc/53/91/79/583539179.db2.gz OZOAAPPDPYJAKQ-UHFFFAOYSA-N 0 0 240.306 3.607 20 0 BHADRN CC1(C)CCN(C(=O)C=C2CCCCC2)CC1 ZINC000726956934 583550609 /nfs/dbraw/zinc/55/06/09/583550609.db2.gz HAUUCLYQGJKADB-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCCCCCC(=O)N1CCC(C)(C)CC1 ZINC000726958055 583552192 /nfs/dbraw/zinc/55/21/92/583552192.db2.gz ZUJCRDUOBRQKMT-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CO[C@H](C)c1cccc(Nc2nccs2)c1 ZINC000726967887 583576832 /nfs/dbraw/zinc/57/68/32/583576832.db2.gz GZZXZYPXMLEIRK-SECBINFHSA-N 0 0 234.324 3.594 20 0 BHADRN CO[C@@H](C)c1cccc(Nc2nccs2)c1 ZINC000726967888 583576785 /nfs/dbraw/zinc/57/67/85/583576785.db2.gz GZZXZYPXMLEIRK-VIFPVBQESA-N 0 0 234.324 3.594 20 0 BHADRN CCCCC[C@@H](C)NC(=O)N(C)CC(C)(C)C ZINC000726978816 583581362 /nfs/dbraw/zinc/58/13/62/583581362.db2.gz GFYVJDSWKDVRRY-GFCCVEGCSA-N 0 0 242.407 3.643 20 0 BHADRN CCCCC[C@H](C)NC(=O)N(C)CC(C)(C)C ZINC000726978817 583581331 /nfs/dbraw/zinc/58/13/31/583581331.db2.gz GFYVJDSWKDVRRY-LBPRGKRZSA-N 0 0 242.407 3.643 20 0 BHADRN CCCCCOC(=O)C1(c2ccccc2C)CC1 ZINC000727015780 583589968 /nfs/dbraw/zinc/58/99/68/583589968.db2.gz QAZUYMMYKWHHKD-UHFFFAOYSA-N 0 0 246.350 3.760 20 0 BHADRN Cc1ccccc1C1(C(=O)OCCC(C)C)CC1 ZINC000727016288 583589312 /nfs/dbraw/zinc/58/93/12/583589312.db2.gz XBBAWHUJNSZGJZ-UHFFFAOYSA-N 0 0 246.350 3.616 20 0 BHADRN CCCCCOC(=O)c1cccc2c1ccn2C ZINC000727024983 583590730 /nfs/dbraw/zinc/59/07/30/583590730.db2.gz CPMLWXUYOWZVBM-UHFFFAOYSA-N 0 0 245.322 3.525 20 0 BHADRN CN(CCCCCO)c1ccc(C(C)(C)C)cc1 ZINC000727026369 583590503 /nfs/dbraw/zinc/59/05/03/583590503.db2.gz YNMOEOGNEMZVGW-UHFFFAOYSA-N 0 0 249.398 3.583 20 0 BHADRN CCCC[C@@H](CC)C(=O)OCc1ccoc1 ZINC000727043120 636069263 /nfs/dbraw/zinc/06/92/63/636069263.db2.gz LDYWQSMAUISWOL-GFCCVEGCSA-N 0 0 224.300 3.539 20 0 BHADRN CCCC[C@H](CC)C(=O)OCc1ccoc1 ZINC000727043122 636069131 /nfs/dbraw/zinc/06/91/31/636069131.db2.gz LDYWQSMAUISWOL-LBPRGKRZSA-N 0 0 224.300 3.539 20 0 BHADRN CC/C=C\COC(=O)C1(c2ccccc2C)CC1 ZINC000727043516 583594018 /nfs/dbraw/zinc/59/40/18/583594018.db2.gz AZAXIZJXXCIHEV-DAXSKMNVSA-N 0 0 244.334 3.536 20 0 BHADRN CC/C=C/COC(=O)C1(c2ccccc2C)CC1 ZINC000727043517 583594115 /nfs/dbraw/zinc/59/41/15/583594115.db2.gz AZAXIZJXXCIHEV-QPJJXVBHSA-N 0 0 244.334 3.536 20 0 BHADRN C[C@H]1CCCC[C@H]1CC(=O)OCc1ccoc1 ZINC000727043606 583594057 /nfs/dbraw/zinc/59/40/57/583594057.db2.gz CLYHNNGRDFXOLP-AAEUAGOBSA-N 0 0 236.311 3.539 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CC(=O)OCc1ccoc1 ZINC000727043607 583594023 /nfs/dbraw/zinc/59/40/23/583594023.db2.gz CLYHNNGRDFXOLP-DGCLKSJQSA-N 0 0 236.311 3.539 20 0 BHADRN C[C@H]1CCCC[C@@H]1CC(=O)OCc1ccoc1 ZINC000727043608 583593994 /nfs/dbraw/zinc/59/39/94/583593994.db2.gz CLYHNNGRDFXOLP-WCQYABFASA-N 0 0 236.311 3.539 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)OCc1ccoc1 ZINC000727043609 583594048 /nfs/dbraw/zinc/59/40/48/583594048.db2.gz CLYHNNGRDFXOLP-YPMHNXCESA-N 0 0 236.311 3.539 20 0 BHADRN CC/C=C/COC(=O)[C@@H](CC)c1ccccc1 ZINC000727043783 583593971 /nfs/dbraw/zinc/59/39/71/583593971.db2.gz HERSLCAIPUZEGL-KVEVGEHQSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C\COC(=O)[C@@H](CC)c1ccccc1 ZINC000727043785 583593970 /nfs/dbraw/zinc/59/39/70/583593970.db2.gz HERSLCAIPUZEGL-UQYHUFHVSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C\COC(=O)[C@H](CC)c1ccccc1 ZINC000727043786 583594095 /nfs/dbraw/zinc/59/40/95/583594095.db2.gz HERSLCAIPUZEGL-VYLZPFMQSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C/COC(=O)[C@H](CC)c1ccccc1 ZINC000727043787 583593966 /nfs/dbraw/zinc/59/39/66/583593966.db2.gz HERSLCAIPUZEGL-VZUFXWRPSA-N 0 0 232.323 3.690 20 0 BHADRN CCCc1ccc(C(=O)OCc2ccoc2)cc1 ZINC000727043830 583594072 /nfs/dbraw/zinc/59/40/72/583594072.db2.gz KDRRYBQWGMBHSW-UHFFFAOYSA-N 0 0 244.290 3.589 20 0 BHADRN CC/C=C\COC(=O)c1c(C)[nH]c2ccccc21 ZINC000727044197 583594221 /nfs/dbraw/zinc/59/42/21/583594221.db2.gz MRIPTCXJCRBSCO-DAXSKMNVSA-N 0 0 243.306 3.599 20 0 BHADRN CC/C=C/COC(=O)c1c(C)[nH]c2ccccc21 ZINC000727044198 583594511 /nfs/dbraw/zinc/59/45/11/583594511.db2.gz MRIPTCXJCRBSCO-QPJJXVBHSA-N 0 0 243.306 3.599 20 0 BHADRN CC/C=C\COC(=O)c1ccc(C(F)F)cc1 ZINC000727044291 583594449 /nfs/dbraw/zinc/59/44/49/583594449.db2.gz PZVIOGHXODSDBS-ARJAWSKDSA-N 0 0 240.249 3.747 20 0 BHADRN CC/C=C/COC(=O)c1ccc(C(F)F)cc1 ZINC000727044292 583594286 /nfs/dbraw/zinc/59/42/86/583594286.db2.gz PZVIOGHXODSDBS-ONEGZZNKSA-N 0 0 240.249 3.747 20 0 BHADRN CC/C=C/COC(=O)[C@@H](CC)CCCC ZINC000727044369 583594439 /nfs/dbraw/zinc/59/44/39/583594439.db2.gz TWPXKKIFXZYFPN-CRALRDPISA-N 0 0 212.333 3.712 20 0 BHADRN CC/C=C\COC(=O)[C@@H](CC)CCCC ZINC000727044370 583594453 /nfs/dbraw/zinc/59/44/53/583594453.db2.gz TWPXKKIFXZYFPN-UPZNUWHASA-N 0 0 212.333 3.712 20 0 BHADRN CC/C=C/COC(=O)[C@H](CC)CCCC ZINC000727044371 583594446 /nfs/dbraw/zinc/59/44/46/583594446.db2.gz TWPXKKIFXZYFPN-YPUOHESYSA-N 0 0 212.333 3.712 20 0 BHADRN CC/C=C\COC(=O)[C@H](CC)CCCC ZINC000727044372 583594415 /nfs/dbraw/zinc/59/44/15/583594415.db2.gz TWPXKKIFXZYFPN-ZVTBTPLYSA-N 0 0 212.333 3.712 20 0 BHADRN CC/C=C\COC(=O)CC(C)(C)c1ccccc1 ZINC000727044487 583594209 /nfs/dbraw/zinc/59/42/09/583594209.db2.gz XSHUBNFKGSMVQC-UITAMQMPSA-N 0 0 246.350 3.864 20 0 BHADRN CC/C=C/COC(=O)CC(C)(C)c1ccccc1 ZINC000727044488 583594274 /nfs/dbraw/zinc/59/42/74/583594274.db2.gz XSHUBNFKGSMVQC-WEVVVXLNSA-N 0 0 246.350 3.864 20 0 BHADRN O=C(CCC1CCCCC1)OCc1ccoc1 ZINC000727044720 583594421 /nfs/dbraw/zinc/59/44/21/583594421.db2.gz KUOMIWMMEVVFCR-UHFFFAOYSA-N 0 0 236.311 3.683 20 0 BHADRN CC(C)c1ccc(C(=O)OCc2ccoc2)cc1 ZINC000727044799 583594460 /nfs/dbraw/zinc/59/44/60/583594460.db2.gz PUHOOXRGLJZYSR-UHFFFAOYSA-N 0 0 244.290 3.760 20 0 BHADRN CC/C=C/COC(=O)C[C@@H](C)c1ccccc1 ZINC000727044867 583594559 /nfs/dbraw/zinc/59/45/59/583594559.db2.gz ACPKVRDUTCSHBN-FLUIGGAXSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C/COC(=O)C[C@H](C)c1ccccc1 ZINC000727044868 583594481 /nfs/dbraw/zinc/59/44/81/583594481.db2.gz ACPKVRDUTCSHBN-GBVBUYCNSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C\COC(=O)C[C@@H](C)c1ccccc1 ZINC000727044869 583594202 /nfs/dbraw/zinc/59/42/02/583594202.db2.gz ACPKVRDUTCSHBN-IBSXUBTNSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C\COC(=O)C[C@H](C)c1ccccc1 ZINC000727044870 583594488 /nfs/dbraw/zinc/59/44/88/583594488.db2.gz ACPKVRDUTCSHBN-UKOWJOKBSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C/COC(=O)c1cc(C)n(C(C)C)c1C ZINC000727045254 583594829 /nfs/dbraw/zinc/59/48/29/583594829.db2.gz JDUDCFSBSAGHDJ-BQYQJAHWSA-N 0 0 249.354 3.809 20 0 BHADRN CC/C=C\COC(=O)c1cc(C)n(C(C)C)c1C ZINC000727045256 583594902 /nfs/dbraw/zinc/59/49/02/583594902.db2.gz JDUDCFSBSAGHDJ-FPLPWBNLSA-N 0 0 249.354 3.809 20 0 BHADRN CC/C=C\COC(=O)c1ccc(Cl)s1 ZINC000727045515 583594878 /nfs/dbraw/zinc/59/48/78/583594878.db2.gz PJPBXWKHWZYIOP-ARJAWSKDSA-N 0 0 230.716 3.525 20 0 BHADRN CC/C=C/COC(=O)c1ccc(Cl)s1 ZINC000727045516 583594677 /nfs/dbraw/zinc/59/46/77/583594677.db2.gz PJPBXWKHWZYIOP-ONEGZZNKSA-N 0 0 230.716 3.525 20 0 BHADRN CC/C=C\COC(=O)c1cc(Cl)ccc1F ZINC000727045547 583594948 /nfs/dbraw/zinc/59/49/48/583594948.db2.gz QDYKWNVASVZSPU-ARJAWSKDSA-N 0 0 242.677 3.602 20 0 BHADRN CC/C=C/COC(=O)c1cc(Cl)ccc1F ZINC000727045548 583594960 /nfs/dbraw/zinc/59/49/60/583594960.db2.gz QDYKWNVASVZSPU-ONEGZZNKSA-N 0 0 242.677 3.602 20 0 BHADRN CC/C=C\COC(=O)c1ccccc1SC ZINC000727046721 583594865 /nfs/dbraw/zinc/59/48/65/583594865.db2.gz HMQUCJRWJFHTJR-DAXSKMNVSA-N 0 0 236.336 3.532 20 0 BHADRN CC/C=C/COC(=O)c1ccccc1SC ZINC000727046722 583594956 /nfs/dbraw/zinc/59/49/56/583594956.db2.gz HMQUCJRWJFHTJR-QPJJXVBHSA-N 0 0 236.336 3.532 20 0 BHADRN Cc1ccccc1C1(C(=O)OC2CCCC2)CC1 ZINC000727047080 583594906 /nfs/dbraw/zinc/59/49/06/583594906.db2.gz BSVCZSSRHJQIJH-UHFFFAOYSA-N 0 0 244.334 3.512 20 0 BHADRN CC/C=C\COC(=O)CCCc1ccccc1 ZINC000727047221 583595573 /nfs/dbraw/zinc/59/55/73/583595573.db2.gz ONASIYKBPAKCQI-CLTKARDFSA-N 0 0 232.323 3.519 20 0 BHADRN CC/C=C/COC(=O)CCCc1ccccc1 ZINC000727047224 583595459 /nfs/dbraw/zinc/59/54/59/583595459.db2.gz ONASIYKBPAKCQI-XVNBXDOJSA-N 0 0 232.323 3.519 20 0 BHADRN CC/C=C\COC(=O)CCCc1cccs1 ZINC000727047229 583595151 /nfs/dbraw/zinc/59/51/51/583595151.db2.gz OPDCKNBWSOIYGZ-ARJAWSKDSA-N 0 0 238.352 3.580 20 0 BHADRN CC/C=C/COC(=O)CCCc1cccs1 ZINC000727047231 583595543 /nfs/dbraw/zinc/59/55/43/583595543.db2.gz OPDCKNBWSOIYGZ-ONEGZZNKSA-N 0 0 238.352 3.580 20 0 BHADRN CC/C=C\COC(=O)[C@H]1CCCc2ccccc21 ZINC000727047807 583595402 /nfs/dbraw/zinc/59/54/02/583595402.db2.gz VVGSDOSAKPHAHQ-BYPUDFOVSA-N 0 0 244.334 3.616 20 0 BHADRN CC/C=C\COC(=O)[C@@H]1CCCc2ccccc21 ZINC000727047808 583595190 /nfs/dbraw/zinc/59/51/90/583595190.db2.gz VVGSDOSAKPHAHQ-OMVNSRBRSA-N 0 0 244.334 3.616 20 0 BHADRN CC/C=C/COC(=O)[C@H]1CCCc2ccccc21 ZINC000727047810 583595364 /nfs/dbraw/zinc/59/53/64/583595364.db2.gz VVGSDOSAKPHAHQ-VFQAQYNWSA-N 0 0 244.334 3.616 20 0 BHADRN CC/C=C/COC(=O)[C@@H]1CCCc2ccccc21 ZINC000727047812 583595498 /nfs/dbraw/zinc/59/54/98/583595498.db2.gz 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Cc1ccc(F)c(C(=O)Oc2ccccc2C)c1 ZINC000727061402 583598501 /nfs/dbraw/zinc/59/85/01/583598501.db2.gz GXECJNFDKWAKIV-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN Cc1ccc(OC(=O)c2cc(C)ccc2F)cc1 ZINC000727061630 583598727 /nfs/dbraw/zinc/59/87/27/583598727.db2.gz JYARCPJEAPCIOI-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN Cc1cccc(OC(=O)c2cc(C)ccc2F)c1 ZINC000727062086 583598290 /nfs/dbraw/zinc/59/82/90/583598290.db2.gz QSEICFYGRWYMOL-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN Cc1ccc(F)c(C(=O)OC[C@@H]2CC=CCC2)c1 ZINC000727062232 583598040 /nfs/dbraw/zinc/59/80/40/583598040.db2.gz VTPKMBNMRVRPSX-GFCCVEGCSA-N 0 0 248.297 3.647 20 0 BHADRN Cc1ccc(F)c(C(=O)OC[C@H]2CC=CCC2)c1 ZINC000727062238 583598195 /nfs/dbraw/zinc/59/81/95/583598195.db2.gz VTPKMBNMRVRPSX-LBPRGKRZSA-N 0 0 248.297 3.647 20 0 BHADRN Cc1cccc(N(C)C(=O)C=C2CCCCC2)c1 ZINC000727093092 583615412 /nfs/dbraw/zinc/61/54/12/583615412.db2.gz IQZZOIPNXWWYDH-UHFFFAOYSA-N 0 0 243.350 3.848 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)c1cccc(C)c1 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ZINC000727290666 636124494 /nfs/dbraw/zinc/12/44/94/636124494.db2.gz ITNDCXPZFUBANI-GFCCVEGCSA-N 0 0 244.400 3.640 20 0 BHADRN CCS[C@H](C(=O)OC1CCCCC1)C(C)C ZINC000727290668 636124082 /nfs/dbraw/zinc/12/40/82/636124082.db2.gz ITNDCXPZFUBANI-LBPRGKRZSA-N 0 0 244.400 3.640 20 0 BHADRN CCN(C(=O)C=C1CCCC1)[C@@H]1CCCC[C@@H]1C ZINC000727319886 583630532 /nfs/dbraw/zinc/63/05/32/583630532.db2.gz FGCBAHWSWJLVRD-DZGCQCFKSA-N 0 0 249.398 3.914 20 0 BHADRN CCN(C(=O)C=C1CCCC1)[C@H]1CCCC[C@H]1C ZINC000727319887 583630230 /nfs/dbraw/zinc/63/02/30/583630230.db2.gz FGCBAHWSWJLVRD-HIFRSBDPSA-N 0 0 249.398 3.914 20 0 BHADRN CCN(C(=O)C=C1CCCC1)[C@@H]1CCCC[C@H]1C ZINC000727319888 583630662 /nfs/dbraw/zinc/63/06/62/583630662.db2.gz FGCBAHWSWJLVRD-UKRRQHHQSA-N 0 0 249.398 3.914 20 0 BHADRN CCN(C(=O)C=C1CCCC1)[C@H]1CCCC[C@@H]1C ZINC000727319889 583630530 /nfs/dbraw/zinc/63/05/30/583630530.db2.gz FGCBAHWSWJLVRD-ZFWWWQNUSA-N 0 0 249.398 3.914 20 0 BHADRN CC/C=C(\C)C(=O)N(CC)[C@@H]1CCCC[C@@H]1C ZINC000727322824 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ZINC000727330543 636126522 /nfs/dbraw/zinc/12/65/22/636126522.db2.gz SSVAOFYLJXNQQG-KADHNRKRSA-N 0 0 245.366 3.605 20 0 BHADRN CC/C=C(\C)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000727330544 636126437 /nfs/dbraw/zinc/12/64/37/636126437.db2.gz SSVAOFYLJXNQQG-SSUFTNFISA-N 0 0 245.366 3.605 20 0 BHADRN CC(C)=CC(=O)N1CCCc2c(C)cc(C)cc21 ZINC000727331255 636126234 /nfs/dbraw/zinc/12/62/34/636126234.db2.gz MADZEWDWTXBDAR-UHFFFAOYSA-N 0 0 243.350 3.549 20 0 BHADRN CC/C=C(/C)C(=O)Nc1ccc(C)c(OCC)c1 ZINC000727340632 583631401 /nfs/dbraw/zinc/63/14/01/583631401.db2.gz CQAMLZGHKXLSQK-GHXNOFRVSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccc(CSC)cc1 ZINC000727343735 583632492 /nfs/dbraw/zinc/63/24/92/583632492.db2.gz PYJATYZUQJRQFS-VZUCSPMQSA-N 0 0 249.379 3.844 20 0 BHADRN CCCCCCC(=O)NCCSC(C)(C)C ZINC000727400675 583640392 /nfs/dbraw/zinc/64/03/92/583640392.db2.gz BIOQDQCCMQHZRW-UHFFFAOYSA-N 0 0 245.432 3.605 20 0 BHADRN Cc1cc(Cl)cc(C)c1OCc1ccno1 ZINC000727401967 583640241 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CC/C=C(\C)C(=O)N(CC1CC1)C1CCCCC1 ZINC000727713787 583749071 /nfs/dbraw/zinc/74/90/71/583749071.db2.gz SLHUUWPQGOBXNR-NTUHNPAUSA-N 0 0 249.398 3.914 20 0 BHADRN CC/C=C(/C)C(=O)N(CC1CC1)C1CCCCC1 ZINC000727713788 583748312 /nfs/dbraw/zinc/74/83/12/583748312.db2.gz SLHUUWPQGOBXNR-QPEQYQDCSA-N 0 0 249.398 3.914 20 0 BHADRN C/C=C/C=C\C(=O)N(CC1CC1)C1CCCCC1 ZINC000727716037 583746966 /nfs/dbraw/zinc/74/69/66/583746966.db2.gz UOWHEOOXHGNUPS-GQICYRDHSA-N 0 0 247.382 3.690 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N[C@@H]1C[C@H]1C ZINC000727734529 583758565 /nfs/dbraw/zinc/75/85/65/583758565.db2.gz KTVBQDKSTFRDOH-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCCC(=O)Oc1cccc(F)c1F ZINC000727793157 583772456 /nfs/dbraw/zinc/77/24/56/583772456.db2.gz OQHHGAMGDHNATR-UHFFFAOYSA-N 0 0 242.265 3.841 20 0 BHADRN CCC[C@@H](C)CC(=O)Oc1cccc(F)c1F ZINC000727795245 583772964 /nfs/dbraw/zinc/77/29/64/583772964.db2.gz ZXLZZJRUYAABHF-SECBINFHSA-N 0 0 242.265 3.697 20 0 BHADRN CCC[C@H](C)CC(=O)Oc1cccc(F)c1F ZINC000727795246 583772780 /nfs/dbraw/zinc/77/27/80/583772780.db2.gz ZXLZZJRUYAABHF-VIFPVBQESA-N 0 0 242.265 3.697 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C ZINC000727796256 583774139 /nfs/dbraw/zinc/77/41/39/583774139.db2.gz GMEPWMZJXFHMEK-CZWSXZDKSA-N 0 0 249.398 3.840 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H]1CCC[C@H]1CCC(C)C ZINC000727796257 583774145 /nfs/dbraw/zinc/77/41/45/583774145.db2.gz GMEPWMZJXFHMEK-QDVYAWFUSA-N 0 0 249.398 3.840 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H]1CCC[C@H]1CCC(C)C ZINC000727796258 583773717 /nfs/dbraw/zinc/77/37/17/583773717.db2.gz GMEPWMZJXFHMEK-QOMXHDIWSA-N 0 0 249.398 3.840 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C ZINC000727796259 583774096 /nfs/dbraw/zinc/77/40/96/583774096.db2.gz GMEPWMZJXFHMEK-ZSIFGTMLSA-N 0 0 249.398 3.840 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)C=C1CCCC1 ZINC000727796301 583774007 /nfs/dbraw/zinc/77/40/07/583774007.db2.gz DZUGIRXEVSWWRL-CABCVRRESA-N 0 0 249.398 3.962 20 0 BHADRN CCCC[C@H]1CCC[C@@H]1NC(=O)C=C1CCCC1 ZINC000727796302 583774020 /nfs/dbraw/zinc/77/40/20/583774020.db2.gz DZUGIRXEVSWWRL-GJZGRUSLSA-N 0 0 249.398 3.962 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)C=C1CCCC1 ZINC000727796303 583774047 /nfs/dbraw/zinc/77/40/47/583774047.db2.gz DZUGIRXEVSWWRL-HUUCEWRRSA-N 0 0 249.398 3.962 20 0 BHADRN CCCC[C@H]1CCC[C@H]1NC(=O)C=C1CCCC1 ZINC000727796304 583773690 /nfs/dbraw/zinc/77/36/90/583773690.db2.gz DZUGIRXEVSWWRL-LSDHHAIUSA-N 0 0 249.398 3.962 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000727796410 583774023 /nfs/dbraw/zinc/77/40/23/583774023.db2.gz HMAPWOSCWHCAOI-AMNUONFKSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H]1CCC[C@H]1CCCC ZINC000727796412 583774141 /nfs/dbraw/zinc/77/41/41/583774141.db2.gz HMAPWOSCWHCAOI-DXIMFJFMSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H]1CCC[C@H]1CCCC ZINC000727796413 583773821 /nfs/dbraw/zinc/77/38/21/583773821.db2.gz HMAPWOSCWHCAOI-GJQIVEAUSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000727796415 583773801 /nfs/dbraw/zinc/77/38/01/583773801.db2.gz HMAPWOSCWHCAOI-MIWOTCCTSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)=CC(=O)N[C@H]1CCC[C@H]1CCC(C)C ZINC000727796770 583773876 /nfs/dbraw/zinc/77/38/76/583773876.db2.gz JLJBPZRSNHWUNB-KBPBESRZSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CC(=O)N[C@H]1CCC[C@@H]1CCC(C)C ZINC000727796772 583774014 /nfs/dbraw/zinc/77/40/14/583774014.db2.gz JLJBPZRSNHWUNB-KGLIPLIRSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CC(=O)N[C@@H]1CCC[C@H]1CCC(C)C ZINC000727796773 583774112 /nfs/dbraw/zinc/77/41/12/583774112.db2.gz JLJBPZRSNHWUNB-UONOGXRCSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C ZINC000727796775 583773789 /nfs/dbraw/zinc/77/37/89/583773789.db2.gz JLJBPZRSNHWUNB-ZIAGYGMSSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H]1CCC[C@H]1CCCC ZINC000727798034 583773224 /nfs/dbraw/zinc/77/32/24/583773224.db2.gz XEBLRRASCOZWPX-KAFRZGCCSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000727798035 583773431 /nfs/dbraw/zinc/77/34/31/583773431.db2.gz XEBLRRASCOZWPX-PVJNPKIGSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H]1CCC[C@H]1CCCC ZINC000727798036 583773554 /nfs/dbraw/zinc/77/35/54/583773554.db2.gz XEBLRRASCOZWPX-RCQBQZHXSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000727798037 583773345 /nfs/dbraw/zinc/77/33/45/583773345.db2.gz XEBLRRASCOZWPX-UTFSWSPUSA-N 0 0 235.371 3.594 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)/C=C(\C)C1CC1 ZINC000727798129 583773516 /nfs/dbraw/zinc/77/35/16/583773516.db2.gz XAIAXDFDWCZPIX-BOXZDTQESA-N 0 0 249.398 3.818 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)/C=C(/C)C1CC1 ZINC000727798131 583773149 /nfs/dbraw/zinc/77/31/49/583773149.db2.gz XAIAXDFDWCZPIX-HRFGFKIASA-N 0 0 249.398 3.818 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)/C=C(/C)C1CC1 ZINC000727798132 583773536 /nfs/dbraw/zinc/77/35/36/583773536.db2.gz XAIAXDFDWCZPIX-IWRDHYCXSA-N 0 0 249.398 3.818 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)/C=C(\C)C1CC1 ZINC000727798133 583773316 /nfs/dbraw/zinc/77/33/16/583773316.db2.gz XAIAXDFDWCZPIX-KPWZGGAESA-N 0 0 249.398 3.818 20 0 BHADRN c1csc(NCCCCCc2ccccc2)n1 ZINC000727826484 583780261 /nfs/dbraw/zinc/78/02/61/583780261.db2.gz VXDOHVPLCDHPTJ-UHFFFAOYSA-N 0 0 246.379 3.968 20 0 BHADRN c1csc(N(CC2CC2)C2CCCCC2)n1 ZINC000727826841 583780429 /nfs/dbraw/zinc/78/04/29/583780429.db2.gz FPLYFODCQCYGQB-UHFFFAOYSA-N 0 0 236.384 3.692 20 0 BHADRN CCC[C@H](Cc1ccccc1)Nc1nccs1 ZINC000727827360 583782080 /nfs/dbraw/zinc/78/20/80/583782080.db2.gz AOPMVPHACDBNKA-CYBMUJFWSA-N 0 0 246.379 3.966 20 0 BHADRN CCC[C@@H](Cc1ccccc1)Nc1nccs1 ZINC000727827361 583782136 /nfs/dbraw/zinc/78/21/36/583782136.db2.gz AOPMVPHACDBNKA-ZDUSSCGKSA-N 0 0 246.379 3.966 20 0 BHADRN CCCCCNC(=O)/C=C\Sc1ccccc1 ZINC000727858830 583786999 /nfs/dbraw/zinc/78/69/99/583786999.db2.gz IIMXAZHILXXVSR-BENRWUELSA-N 0 0 249.379 3.599 20 0 BHADRN O=C(/C=C\Sc1ccccc1)OC1CCCC1 ZINC000727862421 583787572 /nfs/dbraw/zinc/78/75/72/583787572.db2.gz HKMIKBFHTZZFJV-KHPPLWFESA-N 0 0 248.347 3.778 20 0 BHADRN Cc1ccc(C(=O)Oc2ccccc2C)cc1F ZINC000727864161 583787603 /nfs/dbraw/zinc/78/76/03/583787603.db2.gz DXRFHFSTNVFEQN-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN CCCCCOC(=O)Cc1cccc(Cl)c1 ZINC000727877077 583794785 /nfs/dbraw/zinc/79/47/85/583794785.db2.gz DEFFREXXAFOSHG-UHFFFAOYSA-N 0 0 240.730 3.616 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)OCCC(F)(F)F ZINC000727880624 583792500 /nfs/dbraw/zinc/79/25/00/583792500.db2.gz BVCGVWMRDDVLNB-SECBINFHSA-N 0 0 240.265 3.554 20 0 BHADRN CC(C)C[C@H](C)CC(=O)OCCC(F)(F)F ZINC000727880625 583792649 /nfs/dbraw/zinc/79/26/49/583792649.db2.gz BVCGVWMRDDVLNB-VIFPVBQESA-N 0 0 240.265 3.554 20 0 BHADRN CCCCCC[C@H](C)CC(=O)O[C@@H](C)C(C)=O ZINC000727888630 583792595 /nfs/dbraw/zinc/79/25/95/583792595.db2.gz UMCHXJCWZMKZNP-AAEUAGOBSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)O[C@H](C)C(C)=O ZINC000727888631 583792699 /nfs/dbraw/zinc/79/26/99/583792699.db2.gz UMCHXJCWZMKZNP-DGCLKSJQSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCCC[C@H](C)CC(=O)O[C@H](C)C(C)=O ZINC000727888632 583792542 /nfs/dbraw/zinc/79/25/42/583792542.db2.gz UMCHXJCWZMKZNP-WCQYABFASA-N 0 0 242.359 3.504 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)O[C@@H](C)C(C)=O ZINC000727888633 583792532 /nfs/dbraw/zinc/79/25/32/583792532.db2.gz UMCHXJCWZMKZNP-YPMHNXCESA-N 0 0 242.359 3.504 20 0 BHADRN CCCCOC(=O)[C@H](C)c1ccc(CC)cc1 ZINC000727916065 583835544 /nfs/dbraw/zinc/83/55/44/583835544.db2.gz GVMFCOQIORWYAL-GFCCVEGCSA-N 0 0 234.339 3.696 20 0 BHADRN CCCCOC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000727916068 583835407 /nfs/dbraw/zinc/83/54/07/583835407.db2.gz GVMFCOQIORWYAL-LBPRGKRZSA-N 0 0 234.339 3.696 20 0 BHADRN CCc1ccc([C@@H](C)C(=O)OCC(C)C)cc1 ZINC000727917277 583836170 /nfs/dbraw/zinc/83/61/70/583836170.db2.gz VKCAQXZKHHIXTG-GFCCVEGCSA-N 0 0 234.339 3.552 20 0 BHADRN CCc1ccc([C@H](C)C(=O)OCC(C)C)cc1 ZINC000727917378 583835943 /nfs/dbraw/zinc/83/59/43/583835943.db2.gz VKCAQXZKHHIXTG-LBPRGKRZSA-N 0 0 234.339 3.552 20 0 BHADRN CCC[C@@H](C)NC(=O)/C=C/Sc1ccccc1 ZINC000727939529 583837863 /nfs/dbraw/zinc/83/78/63/583837863.db2.gz DHEWOOMUUAIDQE-HCRIHEDKSA-N 0 0 249.379 3.597 20 0 BHADRN CCC[C@H](C)NC(=O)/C=C/Sc1ccccc1 ZINC000727939530 583837598 /nfs/dbraw/zinc/83/75/98/583837598.db2.gz DHEWOOMUUAIDQE-IIANPFDCSA-N 0 0 249.379 3.597 20 0 BHADRN CCC[C@@H](C)NC(=O)/C=C\Sc1ccccc1 ZINC000727939532 583837964 /nfs/dbraw/zinc/83/79/64/583837964.db2.gz DHEWOOMUUAIDQE-NLYDNYMLSA-N 0 0 249.379 3.597 20 0 BHADRN CCC[C@H](C)NC(=O)/C=C\Sc1ccccc1 ZINC000727939533 583837976 /nfs/dbraw/zinc/83/79/76/583837976.db2.gz DHEWOOMUUAIDQE-WEHUKYGOSA-N 0 0 249.379 3.597 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)OCc1cccs1 ZINC000727954509 583838226 /nfs/dbraw/zinc/83/82/26/583838226.db2.gz HFNKHNIOOHSCDD-LLVKDONJSA-N 0 0 240.368 3.864 20 0 BHADRN CC(C)C[C@H](C)CC(=O)OCc1cccs1 ZINC000727954511 583838264 /nfs/dbraw/zinc/83/82/64/583838264.db2.gz HFNKHNIOOHSCDD-NSHDSACASA-N 0 0 240.368 3.864 20 0 BHADRN CC/C=C\COC(=O)[C@H](C)c1ccc(CC)cc1 ZINC000727955357 636228288 /nfs/dbraw/zinc/22/82/88/636228288.db2.gz RYHAMRVYKYFUJC-FMFIFOJESA-N 0 0 246.350 3.862 20 0 BHADRN CC/C=C\COC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000727955358 636228068 /nfs/dbraw/zinc/22/80/68/636228068.db2.gz RYHAMRVYKYFUJC-FWWRYZNZSA-N 0 0 246.350 3.862 20 0 BHADRN CC/C=C/COC(=O)[C@H](C)c1ccc(CC)cc1 ZINC000727955359 636228896 /nfs/dbraw/zinc/22/88/96/636228896.db2.gz RYHAMRVYKYFUJC-KTRBRXNASA-N 0 0 246.350 3.862 20 0 BHADRN CC/C=C/COC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000727955361 636228873 /nfs/dbraw/zinc/22/88/73/636228873.db2.gz RYHAMRVYKYFUJC-YBJDMEARSA-N 0 0 246.350 3.862 20 0 BHADRN CC/C=C\COC(=O)C[C@@H](C)CC(C)C ZINC000727955496 636228187 /nfs/dbraw/zinc/22/81/87/636228187.db2.gz YMIODYVUHDCDRZ-DGMVEKRQSA-N 0 0 212.333 3.568 20 0 BHADRN CC/C=C/COC(=O)C[C@H](C)CC(C)C ZINC000727955497 636228867 /nfs/dbraw/zinc/22/88/67/636228867.db2.gz YMIODYVUHDCDRZ-NNNHXZLVSA-N 0 0 212.333 3.568 20 0 BHADRN CC/C=C/COC(=O)C[C@@H](C)CC(C)C ZINC000727955498 636227801 /nfs/dbraw/zinc/22/78/01/636227801.db2.gz YMIODYVUHDCDRZ-SYTKJHMZSA-N 0 0 212.333 3.568 20 0 BHADRN CC/C=C\COC(=O)C[C@H](C)CC(C)C ZINC000727955499 636228396 /nfs/dbraw/zinc/22/83/96/636228396.db2.gz YMIODYVUHDCDRZ-ZHRWSRJISA-N 0 0 212.333 3.568 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)OC1CCCC1 ZINC000727955540 636228227 /nfs/dbraw/zinc/22/82/27/636228227.db2.gz GCDWFEJNNCCLGD-LLVKDONJSA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)C[C@H](C)CC(=O)OC1CCCC1 ZINC000727955541 636228792 /nfs/dbraw/zinc/22/87/92/636228792.db2.gz GCDWFEJNNCCLGD-NSHDSACASA-N 0 0 212.333 3.545 20 0 BHADRN CCc1ccc([C@@H](C)C(=O)OC2CCCC2)cc1 ZINC000727955635 583838779 /nfs/dbraw/zinc/83/87/79/583838779.db2.gz LFSMGPGPLKGJBA-GFCCVEGCSA-N 0 0 246.350 3.838 20 0 BHADRN CCc1ccc([C@H](C)C(=O)OC2CCCC2)cc1 ZINC000727955636 583838890 /nfs/dbraw/zinc/83/88/90/583838890.db2.gz LFSMGPGPLKGJBA-LBPRGKRZSA-N 0 0 246.350 3.838 20 0 BHADRN CCCC(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000727960486 583838547 /nfs/dbraw/zinc/83/85/47/583838547.db2.gz ICPXVZQSGYXWIL-GFCCVEGCSA-N 0 0 238.714 3.671 20 0 BHADRN CCCC(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000727960487 583838989 /nfs/dbraw/zinc/83/89/89/583838989.db2.gz ICPXVZQSGYXWIL-LBPRGKRZSA-N 0 0 238.714 3.671 20 0 BHADRN CC(C)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000727964132 583839093 /nfs/dbraw/zinc/83/90/93/583839093.db2.gz YOWVGUZSVSUKLS-GFCCVEGCSA-N 0 0 238.714 3.527 20 0 BHADRN CC(C)C(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000727964135 583839082 /nfs/dbraw/zinc/83/90/82/583839082.db2.gz YOWVGUZSVSUKLS-LBPRGKRZSA-N 0 0 238.714 3.527 20 0 BHADRN CCCCCCNC(=O)Cc1cc(C)ccc1C ZINC000727981521 583840352 /nfs/dbraw/zinc/84/03/52/583840352.db2.gz DKATYFDGMIOKOU-UHFFFAOYSA-N 0 0 247.382 3.542 20 0 BHADRN Cc1ccc(C)c(CC(=O)OC2CCCCC2)c1 ZINC000727982718 583840483 /nfs/dbraw/zinc/84/04/83/583840483.db2.gz RTYRXGCJFODYOS-UHFFFAOYSA-N 0 0 246.350 3.722 20 0 BHADRN CCCCCCC(=O)NC(C)(C)C(C)C ZINC000728004156 583844125 /nfs/dbraw/zinc/84/41/25/583844125.db2.gz HPJHCVSSMMVGTJ-UHFFFAOYSA-N 0 0 213.365 3.508 20 0 BHADRN Cc1ccc(CN(C)C(=O)C=C2CCCC2)s1 ZINC000728004885 583844395 /nfs/dbraw/zinc/84/43/95/583844395.db2.gz IYCALPNDBIBANP-UHFFFAOYSA-N 0 0 249.379 3.515 20 0 BHADRN C/C(=C\C(=O)NC(C)(C)C(C)C)c1ccccc1 ZINC000728005618 583844656 /nfs/dbraw/zinc/84/46/56/583844656.db2.gz WTUZABLKVRPYKE-ACCUITESSA-N 0 0 245.366 3.641 20 0 BHADRN C/C(=C/C(=O)NC(C)(C)C(C)C)c1ccccc1 ZINC000728005621 583844396 /nfs/dbraw/zinc/84/43/96/583844396.db2.gz WTUZABLKVRPYKE-QBFSEMIESA-N 0 0 245.366 3.641 20 0 BHADRN CCCCC[C@@H](NC(=O)OC)c1ccccc1 ZINC000728037646 583846254 /nfs/dbraw/zinc/84/62/54/583846254.db2.gz XCTOYIBXSQMBBT-CYBMUJFWSA-N 0 0 235.327 3.664 20 0 BHADRN CCCCC[C@H](NC(=O)OC)c1ccccc1 ZINC000728037647 583846456 /nfs/dbraw/zinc/84/64/56/583846456.db2.gz XCTOYIBXSQMBBT-ZDUSSCGKSA-N 0 0 235.327 3.664 20 0 BHADRN CCCCC[C@H](NC(=O)NCC)c1ccccc1 ZINC000728066690 636238536 /nfs/dbraw/zinc/23/85/36/636238536.db2.gz NMUOYHPCKOFRKS-AWEZNQCLSA-N 0 0 248.370 3.627 20 0 BHADRN CCCCC[C@@H](NC(=O)NCC)c1ccccc1 ZINC000728066691 636239593 /nfs/dbraw/zinc/23/95/93/636239593.db2.gz NMUOYHPCKOFRKS-CQSZACIVSA-N 0 0 248.370 3.627 20 0 BHADRN CCCCCCC(=O)Nc1n[nH]c(C2CC2)c1C ZINC000728069552 583847173 /nfs/dbraw/zinc/84/71/73/583847173.db2.gz PGNUIJYUMVHHSF-UHFFFAOYSA-N 0 0 249.358 3.504 20 0 BHADRN CCCCCOC(=O)Cc1cc(C)ccc1C ZINC000728112156 583847949 /nfs/dbraw/zinc/84/79/49/583847949.db2.gz CMGYAJKKAKILSK-UHFFFAOYSA-N 0 0 234.339 3.579 20 0 BHADRN Cc1ccc(C)c(CC(=O)OCC2CCCC2)c1 ZINC000728113927 583847879 /nfs/dbraw/zinc/84/78/79/583847879.db2.gz YJYYZFHGGJKCTO-UHFFFAOYSA-N 0 0 246.350 3.579 20 0 BHADRN Cc1ccccc1SCc1cscn1 ZINC000728160628 583850147 /nfs/dbraw/zinc/85/01/47/583850147.db2.gz FQMDITFNVMDGFX-UHFFFAOYSA-N 0 0 221.350 3.744 20 0 BHADRN c1nc(CSCC2CCCCC2)cs1 ZINC000728160748 583850127 /nfs/dbraw/zinc/85/01/27/583850127.db2.gz IXWRQPXBVPBTSM-UHFFFAOYSA-N 0 0 227.398 3.957 20 0 BHADRN Cc1cccc(SCc2cscn2)c1 ZINC000728162781 583850005 /nfs/dbraw/zinc/85/00/05/583850005.db2.gz YKMBMTHWSMNCCO-UHFFFAOYSA-N 0 0 221.350 3.744 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](CCC)C1CCCCC1 ZINC000728185439 583850911 /nfs/dbraw/zinc/85/09/11/583850911.db2.gz PCPYOIHLMBQWRN-DQCYHGCBSA-N 0 0 249.398 3.984 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](CCC)C1CCCCC1 ZINC000728185441 583850763 /nfs/dbraw/zinc/85/07/63/583850763.db2.gz PCPYOIHLMBQWRN-DWTYINEFSA-N 0 0 249.398 3.984 20 0 BHADRN C/C=C/C=C/C(=O)N[C@H](CCC)C1CCCCC1 ZINC000728185442 583850804 /nfs/dbraw/zinc/85/08/04/583850804.db2.gz PCPYOIHLMBQWRN-HZJZCDRRSA-N 0 0 249.398 3.984 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H](CCC)C1CCCCC1 ZINC000728185443 583850875 /nfs/dbraw/zinc/85/08/75/583850875.db2.gz PCPYOIHLMBQWRN-JCYTZHGSSA-N 0 0 249.398 3.984 20 0 BHADRN CCC[C@H](NC(=O)C=C(C)C)C1CCCCC1 ZINC000728186675 583850736 /nfs/dbraw/zinc/85/07/36/583850736.db2.gz YAHNIOTWPVKXMT-AWEZNQCLSA-N 0 0 237.387 3.818 20 0 BHADRN CCC[C@@H](NC(=O)C=C(C)C)C1CCCCC1 ZINC000728186676 583850783 /nfs/dbraw/zinc/85/07/83/583850783.db2.gz YAHNIOTWPVKXMT-CQSZACIVSA-N 0 0 237.387 3.818 20 0 BHADRN Cc1ccc(NC(=S)N2CCCC2(C)C)cc1 ZINC000728228809 583852363 /nfs/dbraw/zinc/85/23/63/583852363.db2.gz HRWWMVJJGVMZCV-UHFFFAOYSA-N 0 0 248.395 3.566 20 0 BHADRN Cc1cccc(NC(=S)N2CCCC2(C)C)c1 ZINC000728229794 583851965 /nfs/dbraw/zinc/85/19/65/583851965.db2.gz RVWKUDGMGRURJQ-UHFFFAOYSA-N 0 0 248.395 3.566 20 0 BHADRN Cc1ccccc1NC(=S)N1CCCC1(C)C ZINC000728229878 583851953 /nfs/dbraw/zinc/85/19/53/583851953.db2.gz TZDBCJSHQGCXNZ-UHFFFAOYSA-N 0 0 248.395 3.566 20 0 BHADRN CC(=O)c1ccc(OC(=O)CC(C)(C)C)c(C)c1 ZINC000728243229 583853366 /nfs/dbraw/zinc/85/33/66/583853366.db2.gz FRIPLNMGCGQZFC-UHFFFAOYSA-N 0 0 248.322 3.539 20 0 BHADRN CCC(CC)C(=O)Oc1ccc(C(C)=O)cc1C ZINC000728243634 583853358 /nfs/dbraw/zinc/85/33/58/583853358.db2.gz KCEZLRGQNQNOBC-UHFFFAOYSA-N 0 0 248.322 3.539 20 0 BHADRN CCC[C@H](C)C(=O)Oc1ccc(C(C)=O)cc1C ZINC000728243641 583853391 /nfs/dbraw/zinc/85/33/91/583853391.db2.gz KQLCVEJFLPDIHN-JTQLQIEISA-N 0 0 248.322 3.539 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1ccc(C(C)=O)cc1C ZINC000728243789 583853407 /nfs/dbraw/zinc/85/34/07/583853407.db2.gz KQLCVEJFLPDIHN-SNVBAGLBSA-N 0 0 248.322 3.539 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H]1CCCC[C@H]1CCC ZINC000728259028 583854197 /nfs/dbraw/zinc/85/41/97/583854197.db2.gz APBCUBFIBOTSLA-DAOCMGDUSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H]1CCCC[C@H]1CCC ZINC000728259029 583854036 /nfs/dbraw/zinc/85/40/36/583854036.db2.gz APBCUBFIBOTSLA-QPMKNSJPSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000728259031 583853970 /nfs/dbraw/zinc/85/39/70/583853970.db2.gz APBCUBFIBOTSLA-UAVMQJIGSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000728259033 583853955 /nfs/dbraw/zinc/85/39/55/583853955.db2.gz APBCUBFIBOTSLA-UAWXWWNBSA-N 0 0 235.371 3.594 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000728260833 583854345 /nfs/dbraw/zinc/85/43/45/583854345.db2.gz QCZJOUAHDRLANY-AMNUONFKSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H]1CCCC[C@H]1CCC ZINC000728260835 583854336 /nfs/dbraw/zinc/85/43/36/583854336.db2.gz QCZJOUAHDRLANY-DXIMFJFMSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H]1CCCC[C@H]1CCC ZINC000728260836 583854333 /nfs/dbraw/zinc/85/43/33/583854333.db2.gz QCZJOUAHDRLANY-GJQIVEAUSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000728260838 583854252 /nfs/dbraw/zinc/85/42/52/583854252.db2.gz QCZJOUAHDRLANY-MIWOTCCTSA-N 0 0 237.387 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)C=C1CCCC1 ZINC000728261373 583854302 /nfs/dbraw/zinc/85/43/02/583854302.db2.gz SEQNYTVGMTTZAR-CABCVRRESA-N 0 0 249.398 3.962 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1NC(=O)C=C1CCCC1 ZINC000728261374 583854282 /nfs/dbraw/zinc/85/42/82/583854282.db2.gz SEQNYTVGMTTZAR-GJZGRUSLSA-N 0 0 249.398 3.962 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)C=C1CCCC1 ZINC000728261376 583854311 /nfs/dbraw/zinc/85/43/11/583854311.db2.gz SEQNYTVGMTTZAR-HUUCEWRRSA-N 0 0 249.398 3.962 20 0 BHADRN CCC[C@H]1CCCC[C@H]1NC(=O)C=C1CCCC1 ZINC000728261377 583854304 /nfs/dbraw/zinc/85/43/04/583854304.db2.gz SEQNYTVGMTTZAR-LSDHHAIUSA-N 0 0 249.398 3.962 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1Nc1cccc(F)n1 ZINC000728287036 583855566 /nfs/dbraw/zinc/85/55/66/583855566.db2.gz NJJQRSOEZDFAFA-NEPJUHHUSA-N 0 0 236.334 3.992 20 0 BHADRN CCC[C@H]1CCCC[C@H]1Nc1cccc(F)n1 ZINC000728287041 583855297 /nfs/dbraw/zinc/85/52/97/583855297.db2.gz NJJQRSOEZDFAFA-NWDGAFQWSA-N 0 0 236.334 3.992 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1Nc1cccc(F)n1 ZINC000728287044 583855283 /nfs/dbraw/zinc/85/52/83/583855283.db2.gz NJJQRSOEZDFAFA-RYUDHWBXSA-N 0 0 236.334 3.992 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1Nc1cccc(F)n1 ZINC000728287048 583855578 /nfs/dbraw/zinc/85/55/78/583855578.db2.gz NJJQRSOEZDFAFA-VXGBXAGGSA-N 0 0 236.334 3.992 20 0 BHADRN CCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000728317101 583860631 /nfs/dbraw/zinc/86/06/31/583860631.db2.gz NQNGJITWFWLDQD-MRVPVSSYSA-N 0 0 246.228 3.720 20 0 BHADRN CCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000728317102 583860943 /nfs/dbraw/zinc/86/09/43/583860943.db2.gz NQNGJITWFWLDQD-QMMMGPOBSA-N 0 0 246.228 3.720 20 0 BHADRN Cc1cc(NC(=O)C=C2CCCC2)ccc1F ZINC000728479868 583882322 /nfs/dbraw/zinc/88/23/22/583882322.db2.gz AOWXFQFHXUGRCA-UHFFFAOYSA-N 0 0 233.286 3.573 20 0 BHADRN Cc1cc(NC(=O)C=C2CCCCC2)ccc1F ZINC000728480028 583882578 /nfs/dbraw/zinc/88/25/78/583882578.db2.gz KTNPATGFLWAXFO-UHFFFAOYSA-N 0 0 247.313 3.963 20 0 BHADRN Cc1cc(NC(=O)C[C@@H](C)C2CC2)ccc1F ZINC000728480231 583882443 /nfs/dbraw/zinc/88/24/43/583882443.db2.gz QTGJPDRCUCLYHW-SECBINFHSA-N 0 0 235.302 3.509 20 0 BHADRN Cc1cc(NC(=O)C[C@H](C)C2CC2)ccc1F ZINC000728480232 583882263 /nfs/dbraw/zinc/88/22/63/583882263.db2.gz QTGJPDRCUCLYHW-VIFPVBQESA-N 0 0 235.302 3.509 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(F)c(C)c1 ZINC000728480363 583882598 /nfs/dbraw/zinc/88/25/98/583882598.db2.gz SQYCLRSRODVZJD-CSKARUKUSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(F)c(C)c1 ZINC000728480364 583882416 /nfs/dbraw/zinc/88/24/16/583882416.db2.gz SQYCLRSRODVZJD-NTMALXAHSA-N 0 0 235.302 3.819 20 0 BHADRN C/C(=C\C(=O)N[C@@H]1CCCC[C@@H]1C(C)C)C1CC1 ZINC000728501269 583886098 /nfs/dbraw/zinc/88/60/98/583886098.db2.gz JCKMEWNOFKZJSE-CFXNXBPSSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCCC[C@H]1C(C)C)C1CC1 ZINC000728501270 583885989 /nfs/dbraw/zinc/88/59/89/583885989.db2.gz JCKMEWNOFKZJSE-IMKYVTMTSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@@H]1CCCC[C@H]1C(C)C)C1CC1 ZINC000728501272 583886047 /nfs/dbraw/zinc/88/60/47/583886047.db2.gz JCKMEWNOFKZJSE-LNKCYATRSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCCC[C@@H]1C(C)C)C1CC1 ZINC000728501273 583885972 /nfs/dbraw/zinc/88/59/72/583885972.db2.gz JCKMEWNOFKZJSE-QELFOPCUSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)C=C1CCCC1 ZINC000728503173 583885940 /nfs/dbraw/zinc/88/59/40/583885940.db2.gz QKUGEEMRASIZHL-CABCVRRESA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C=C1CCCC1 ZINC000728503174 583886155 /nfs/dbraw/zinc/88/61/55/583886155.db2.gz QKUGEEMRASIZHL-GJZGRUSLSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)[C@H]1CCCC[C@H]1NC(=O)C=C1CCCC1 ZINC000728503175 583885910 /nfs/dbraw/zinc/88/59/10/583885910.db2.gz QKUGEEMRASIZHL-HUUCEWRRSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)C=C1CCCC1 ZINC000728503176 583886176 /nfs/dbraw/zinc/88/61/76/583886176.db2.gz QKUGEEMRASIZHL-LSDHHAIUSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000728503248 583886153 /nfs/dbraw/zinc/88/61/53/583886153.db2.gz SPYRKFYBNUWJJJ-AMNUONFKSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000728503249 583886064 /nfs/dbraw/zinc/88/60/64/583886064.db2.gz SPYRKFYBNUWJJJ-DXIMFJFMSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000728503250 583886136 /nfs/dbraw/zinc/88/61/36/583886136.db2.gz SPYRKFYBNUWJJJ-GJQIVEAUSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000728503251 583886334 /nfs/dbraw/zinc/88/63/34/583886334.db2.gz SPYRKFYBNUWJJJ-MIWOTCCTSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C\COC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000728638866 583901686 /nfs/dbraw/zinc/90/16/86/583901686.db2.gz NRIBEKAAOGXHQC-FOSCPCJNSA-N 0 0 246.350 3.936 20 0 BHADRN C/C=C/COC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000728638867 583901806 /nfs/dbraw/zinc/90/18/06/583901806.db2.gz NRIBEKAAOGXHQC-MBVDDHJVSA-N 0 0 246.350 3.936 20 0 BHADRN C/C=C/COC(=O)C[C@H](c1ccccc1)C(C)C ZINC000728638868 583901838 /nfs/dbraw/zinc/90/18/38/583901838.db2.gz NRIBEKAAOGXHQC-RGDDUWESSA-N 0 0 246.350 3.936 20 0 BHADRN C/C=C\COC(=O)C[C@H](c1ccccc1)C(C)C ZINC000728638870 583901865 /nfs/dbraw/zinc/90/18/65/583901865.db2.gz NRIBEKAAOGXHQC-XVWMLYKFSA-N 0 0 246.350 3.936 20 0 BHADRN Cc1ccc(C(=O)OC/C=C\Cl)cc1Cl ZINC000728670818 583903328 /nfs/dbraw/zinc/90/33/28/583903328.db2.gz BBLUIXALYWWLLP-DJWKRKHSSA-N 0 0 245.105 3.558 20 0 BHADRN Cc1ccc(C(=O)OC/C=C/Cl)cc1Cl ZINC000728670819 583903242 /nfs/dbraw/zinc/90/32/42/583903242.db2.gz BBLUIXALYWWLLP-GORDUTHDSA-N 0 0 245.105 3.558 20 0 BHADRN Cc1ccc(N(C)CCCOC(C)C)cc1C ZINC000728688434 583904293 /nfs/dbraw/zinc/90/42/93/583904293.db2.gz PNHSOEHJKNEZCC-UHFFFAOYSA-N 0 0 235.371 3.555 20 0 BHADRN CC(C)=CC(=O)N1CCCc2cccc(Cl)c21 ZINC000728705491 583905059 /nfs/dbraw/zinc/90/50/59/583905059.db2.gz QYNYZCGPIWMTPP-UHFFFAOYSA-N 0 0 249.741 3.585 20 0 BHADRN CCCCC[C@@H](C)NC(=O)NC1(C)CCCC1 ZINC000728741827 583906501 /nfs/dbraw/zinc/90/65/01/583906501.db2.gz PQYLGIYTYJOETO-GFCCVEGCSA-N 0 0 240.391 3.587 20 0 BHADRN CCCCC[C@H](C)NC(=O)NC1(C)CCCC1 ZINC000728741829 583906523 /nfs/dbraw/zinc/90/65/23/583906523.db2.gz PQYLGIYTYJOETO-LBPRGKRZSA-N 0 0 240.391 3.587 20 0 BHADRN CCC[C@H](C(=O)OCC1CC1)c1ccccc1 ZINC000728764025 583906750 /nfs/dbraw/zinc/90/67/50/583906750.db2.gz IINDEIYSOGQJQR-AWEZNQCLSA-N 0 0 232.323 3.524 20 0 BHADRN CCC[C@@H](C(=O)OCC1CC1)c1ccccc1 ZINC000728764026 583906969 /nfs/dbraw/zinc/90/69/69/583906969.db2.gz 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BHADRN CC(C)c1ccc(CCC(=O)OCC2CC2)cc1 ZINC000728764613 583906864 /nfs/dbraw/zinc/90/68/64/583906864.db2.gz XDBDSKAYLPGFDV-UHFFFAOYSA-N 0 0 246.350 3.696 20 0 BHADRN O=C(OCC1CC1)c1cc2sccc2s1 ZINC000728764744 583906847 /nfs/dbraw/zinc/90/68/47/583906847.db2.gz YHKSOIZYKRYXOM-UHFFFAOYSA-N 0 0 238.333 3.530 20 0 BHADRN CCCc1cc(C(=O)OCC2CC2)sc1C ZINC000728764983 583906974 /nfs/dbraw/zinc/90/69/74/583906974.db2.gz WSTFMSHGIMXCRL-UHFFFAOYSA-N 0 0 238.352 3.576 20 0 BHADRN CC/C=C\COC(=O)C(C)(C)c1ccc(C)cc1 ZINC000728767984 583907852 /nfs/dbraw/zinc/90/78/52/583907852.db2.gz LYZSCJRYXWERQY-SREVYHEPSA-N 0 0 246.350 3.782 20 0 BHADRN CC/C=C/COC(=O)C(C)(C)c1ccc(C)cc1 ZINC000728767985 583907859 /nfs/dbraw/zinc/90/78/59/583907859.db2.gz LYZSCJRYXWERQY-VOTSOKGWSA-N 0 0 246.350 3.782 20 0 BHADRN Cc1ccc(C(=O)OC2CCCC2)cc1Cl ZINC000728769347 583907735 /nfs/dbraw/zinc/90/77/35/583907735.db2.gz FYIGNZJJFWUYRO-UHFFFAOYSA-N 0 0 238.714 3.748 20 0 BHADRN Cc1ccc(C(C)(C)C(=O)OC2CCCC2)cc1 ZINC000728769811 583907925 /nfs/dbraw/zinc/90/79/25/583907925.db2.gz MDMKTVYJXXOLNP-UHFFFAOYSA-N 0 0 246.350 3.758 20 0 BHADRN CCCN(C(=S)Nc1ccccc1C)C1CC1 ZINC000728789702 583911312 /nfs/dbraw/zinc/91/13/12/583911312.db2.gz FLKOJONEBKZXFO-UHFFFAOYSA-N 0 0 248.395 3.566 20 0 BHADRN CCCN(C(=S)Nc1cccc(C)c1)C1CC1 ZINC000728789716 583911452 /nfs/dbraw/zinc/91/14/52/583911452.db2.gz FXKKJSVPTHSRAN-UHFFFAOYSA-N 0 0 248.395 3.566 20 0 BHADRN CCCN(C(=S)Nc1ccc(C)cc1)C1CC1 ZINC000728789774 583911371 /nfs/dbraw/zinc/91/13/71/583911371.db2.gz HYFKKSFMBFGKKR-UHFFFAOYSA-N 0 0 248.395 3.566 20 0 BHADRN CCCCCNC(=O)/C=C(\CC)c1ccccc1 ZINC000728796949 583913350 /nfs/dbraw/zinc/91/33/50/583913350.db2.gz SPPNANDEDXFLFY-BUHFOSPRSA-N 0 0 245.366 3.786 20 0 BHADRN CCCCCNC(=O)/C=C(/CC)c1ccccc1 ZINC000728796950 583913514 /nfs/dbraw/zinc/91/35/14/583913514.db2.gz SPPNANDEDXFLFY-YPKPFQOOSA-N 0 0 245.366 3.786 20 0 BHADRN Cc1ccccc1CCC(=O)OC1CCCCC1 ZINC000728796969 583913372 /nfs/dbraw/zinc/91/33/72/583913372.db2.gz 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BHADRN CCCCCCNC(=O)CCc1ccccc1C ZINC000728798102 583913824 /nfs/dbraw/zinc/91/38/24/583913824.db2.gz FOLIGRUPHIBBBJ-UHFFFAOYSA-N 0 0 247.382 3.624 20 0 BHADRN CC(C)(C)CCCC(=O)Oc1ccc(F)cc1 ZINC000728798887 583914052 /nfs/dbraw/zinc/91/40/52/583914052.db2.gz NCJKOJLTEQQMPO-UHFFFAOYSA-N 0 0 238.302 3.948 20 0 BHADRN Cc1cc(C(=O)Oc2ccccc2C)ccc1F ZINC000728799369 583913887 /nfs/dbraw/zinc/91/38/87/583913887.db2.gz WICARRJOAUIOOI-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN Cc1ccc(OC(=O)c2ccc(F)c(C)c2)cc1 ZINC000728799392 583914235 /nfs/dbraw/zinc/91/42/35/583914235.db2.gz XBDCHMJOROLELP-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN CCC[C@H](C)NC(=O)/C=C(/CC)c1ccccc1 ZINC000728799824 636303609 /nfs/dbraw/zinc/30/36/09/636303609.db2.gz XEVOHHJTKRXEKU-BSHRGCEOSA-N 0 0 245.366 3.785 20 0 BHADRN CCC[C@@H](C)NC(=O)/C=C(\CC)c1ccccc1 ZINC000728799825 636304600 /nfs/dbraw/zinc/30/46/00/636304600.db2.gz XEVOHHJTKRXEKU-MNWMYKRDSA-N 0 0 245.366 3.785 20 0 BHADRN CCC[C@@H](C)NC(=O)/C=C(/CC)c1ccccc1 ZINC000728799826 636304220 /nfs/dbraw/zinc/30/42/20/636304220.db2.gz XEVOHHJTKRXEKU-NXXVSJRMSA-N 0 0 245.366 3.785 20 0 BHADRN CCC[C@H](C)NC(=O)/C=C(\CC)c1ccccc1 ZINC000728799827 636303164 /nfs/dbraw/zinc/30/31/64/636303164.db2.gz XEVOHHJTKRXEKU-REQDGWNSSA-N 0 0 245.366 3.785 20 0 BHADRN CC/C(=C\C(=O)NC(CC)CC)c1ccccc1 ZINC000728800361 583913999 /nfs/dbraw/zinc/91/39/99/583913999.db2.gz WUBJNXPTQSZATA-OUKQBFOZSA-N 0 0 245.366 3.785 20 0 BHADRN CC/C(=C/C(=O)NC(CC)CC)c1ccccc1 ZINC000728800362 583914270 /nfs/dbraw/zinc/91/42/70/583914270.db2.gz WUBJNXPTQSZATA-SEYXRHQNSA-N 0 0 245.366 3.785 20 0 BHADRN CC/C(=C/C(=O)NC1CCCC1)c1ccccc1 ZINC000728800409 583914121 /nfs/dbraw/zinc/91/41/21/583914121.db2.gz YUKURKGXGCAJJC-SEYXRHQNSA-N 0 0 243.350 3.539 20 0 BHADRN CC/C(=C/C(=O)N(C)[C@@H](C)CC)c1ccccc1 ZINC000728807573 583915681 /nfs/dbraw/zinc/91/56/81/583915681.db2.gz FCNACVWMEVIOKL-BSHRGCEOSA-N 0 0 245.366 3.737 20 0 BHADRN CC/C(=C\C(=O)N(C)[C@H](C)CC)c1ccccc1 ZINC000728807574 583915699 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CC[C@@H](C)OC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000729076641 583951925 /nfs/dbraw/zinc/95/19/25/583951925.db2.gz FRSTZJVVSAWULE-GHMZBOCLSA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@H](C)OC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000729076642 583951905 /nfs/dbraw/zinc/95/19/05/583951905.db2.gz FRSTZJVVSAWULE-MNOVXSKESA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000729076643 583952038 /nfs/dbraw/zinc/95/20/38/583952038.db2.gz FRSTZJVVSAWULE-QWRGUYRKSA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000729076644 583951908 /nfs/dbraw/zinc/95/19/08/583951908.db2.gz FRSTZJVVSAWULE-WDEREUQCSA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@H](C)OC(=O)CCCC(C)(C)C ZINC000729076789 583952082 /nfs/dbraw/zinc/95/20/82/583952082.db2.gz HYYWWKOAVQUEMD-JTQLQIEISA-N 0 0 200.322 3.545 20 0 BHADRN CC[C@@H](C)OC(=O)CCCC(C)(C)C ZINC000729076790 583951797 /nfs/dbraw/zinc/95/17/97/583951797.db2.gz HYYWWKOAVQUEMD-SNVBAGLBSA-N 0 0 200.322 3.545 20 0 BHADRN CC/C(=C/C(=O)O[C@@H](C)CC)c1ccccc1 ZINC000729076973 583952533 /nfs/dbraw/zinc/95/25/33/583952533.db2.gz MQKFAIBEQVAFCX-KLDSGFLGSA-N 0 0 232.323 3.822 20 0 BHADRN CC/C(=C/C(=O)O[C@H](C)CC)c1ccccc1 ZINC000729076974 583952393 /nfs/dbraw/zinc/95/23/93/583952393.db2.gz MQKFAIBEQVAFCX-NPRUJURCSA-N 0 0 232.323 3.822 20 0 BHADRN CC/C(=C\C(=O)O[C@@H](C)CC)c1ccccc1 ZINC000729076975 583952571 /nfs/dbraw/zinc/95/25/71/583952571.db2.gz MQKFAIBEQVAFCX-OWRWYXLESA-N 0 0 232.323 3.822 20 0 BHADRN CC/C(=C\C(=O)O[C@H](C)CC)c1ccccc1 ZINC000729076976 583952544 /nfs/dbraw/zinc/95/25/44/583952544.db2.gz MQKFAIBEQVAFCX-RVROTUBLSA-N 0 0 232.323 3.822 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@@H](C)c1ccccc1F ZINC000729077043 583952593 /nfs/dbraw/zinc/95/25/93/583952593.db2.gz QOIDYSWPJFXYPK-GHMZBOCLSA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@H](C)OC(=O)C[C@@H](C)c1ccccc1F ZINC000729077044 583952428 /nfs/dbraw/zinc/95/24/28/583952428.db2.gz QOIDYSWPJFXYPK-MNOVXSKESA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H](C)c1ccccc1F ZINC000729077045 583952555 /nfs/dbraw/zinc/95/25/55/583952555.db2.gz QOIDYSWPJFXYPK-QWRGUYRKSA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@H](C)c1ccccc1F ZINC000729077046 583952400 /nfs/dbraw/zinc/95/24/00/583952400.db2.gz QOIDYSWPJFXYPK-WDEREUQCSA-N 0 0 238.302 3.661 20 0 BHADRN CCc1ccc([C@H](C)C(=O)O[C@H](C)CC)cc1 ZINC000729077237 583952474 /nfs/dbraw/zinc/95/24/74/583952474.db2.gz VBAVBCYRUXYCFP-NEPJUHHUSA-N 0 0 234.339 3.694 20 0 BHADRN CCc1ccc([C@@H](C)C(=O)O[C@@H](C)CC)cc1 ZINC000729077238 583952637 /nfs/dbraw/zinc/95/26/37/583952637.db2.gz VBAVBCYRUXYCFP-NWDGAFQWSA-N 0 0 234.339 3.694 20 0 BHADRN CCc1ccc([C@H](C)C(=O)O[C@@H](C)CC)cc1 ZINC000729077239 583952315 /nfs/dbraw/zinc/95/23/15/583952315.db2.gz VBAVBCYRUXYCFP-RYUDHWBXSA-N 0 0 234.339 3.694 20 0 BHADRN CCc1ccc([C@@H](C)C(=O)O[C@H](C)CC)cc1 ZINC000729077240 583952553 /nfs/dbraw/zinc/95/25/53/583952553.db2.gz VBAVBCYRUXYCFP-VXGBXAGGSA-N 0 0 234.339 3.694 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@@H](CC)c1ccccc1 ZINC000729077244 583952541 /nfs/dbraw/zinc/95/25/41/583952541.db2.gz VCOMGAQNYDVNSW-CHWSQXEVSA-N 0 0 234.339 3.912 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@H](CC)c1ccccc1 ZINC000729077245 583952332 /nfs/dbraw/zinc/95/23/32/583952332.db2.gz VCOMGAQNYDVNSW-OLZOCXBDSA-N 0 0 234.339 3.912 20 0 BHADRN CC[C@H](CC(=O)O[C@@H](C)CC)c1ccccc1 ZINC000729077246 583952453 /nfs/dbraw/zinc/95/24/53/583952453.db2.gz VCOMGAQNYDVNSW-QWHCGFSZSA-N 0 0 234.339 3.912 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H](CC)c1ccccc1 ZINC000729077247 583952317 /nfs/dbraw/zinc/95/23/17/583952317.db2.gz VCOMGAQNYDVNSW-STQMWFEESA-N 0 0 234.339 3.912 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc(C(F)F)cc1 ZINC000729077460 583952355 /nfs/dbraw/zinc/95/23/55/583952355.db2.gz YMVAVAXOCSAQGC-MRVPVSSYSA-N 0 0 228.238 3.580 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc(C(F)F)cc1 ZINC000729077461 583952621 /nfs/dbraw/zinc/95/26/21/583952621.db2.gz YMVAVAXOCSAQGC-QMMMGPOBSA-N 0 0 228.238 3.580 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000729077631 583952947 /nfs/dbraw/zinc/95/29/47/583952947.db2.gz BGHDWTOSOKQASF-LLVKDONJSA-N 0 0 245.322 3.740 20 0 BHADRN CC[C@H](C)OC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000729077633 583952804 /nfs/dbraw/zinc/95/28/04/583952804.db2.gz BGHDWTOSOKQASF-NSHDSACASA-N 0 0 245.322 3.740 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@@H](C)CC(C)(C)C ZINC000729077640 583953039 /nfs/dbraw/zinc/95/30/39/583953039.db2.gz BKKNZISDOZMGEF-GHMZBOCLSA-N 0 0 214.349 3.791 20 0 BHADRN CC[C@H](C)OC(=O)C[C@@H](C)CC(C)(C)C ZINC000729077642 583952913 /nfs/dbraw/zinc/95/29/13/583952913.db2.gz BKKNZISDOZMGEF-MNOVXSKESA-N 0 0 214.349 3.791 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H](C)CC(C)(C)C ZINC000729077644 583952774 /nfs/dbraw/zinc/95/27/74/583952774.db2.gz BKKNZISDOZMGEF-QWRGUYRKSA-N 0 0 214.349 3.791 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@H](C)CC(C)(C)C ZINC000729077645 583953028 /nfs/dbraw/zinc/95/30/28/583953028.db2.gz BKKNZISDOZMGEF-WDEREUQCSA-N 0 0 214.349 3.791 20 0 BHADRN CC[C@@H](C)OC(=O)Cc1coc2cc(C)ccc12 ZINC000729077691 583952819 /nfs/dbraw/zinc/95/28/19/583952819.db2.gz CZEQBDFMNSSELF-LLVKDONJSA-N 0 0 246.306 3.625 20 0 BHADRN CC[C@H](C)OC(=O)Cc1coc2cc(C)ccc12 ZINC000729077692 583952979 /nfs/dbraw/zinc/95/29/79/583952979.db2.gz CZEQBDFMNSSELF-NSHDSACASA-N 0 0 246.306 3.625 20 0 BHADRN CC[C@@H](C)OC(=O)c1csc2c1CCCC2 ZINC000729077806 583953013 /nfs/dbraw/zinc/95/30/13/583953013.db2.gz GGOAWXIKOGMHIL-SECBINFHSA-N 0 0 238.352 3.582 20 0 BHADRN CC[C@H](C)OC(=O)c1csc2c1CCCC2 ZINC000729077808 583953034 /nfs/dbraw/zinc/95/30/34/583953034.db2.gz GGOAWXIKOGMHIL-VIFPVBQESA-N 0 0 238.352 3.582 20 0 BHADRN CC[C@@H](C)OC(=O)CCc1ccc(Cl)s1 ZINC000729077897 583953001 /nfs/dbraw/zinc/95/30/01/583953001.db2.gz ATQYVICDYBPBFB-MRVPVSSYSA-N 0 0 246.759 3.676 20 0 BHADRN CC[C@H](C)OC(=O)CCc1ccc(Cl)s1 ZINC000729077899 583952801 /nfs/dbraw/zinc/95/28/01/583952801.db2.gz ATQYVICDYBPBFB-QMMMGPOBSA-N 0 0 246.759 3.676 20 0 BHADRN CC[C@H](C)OC(=O)CCc1ccccc1Cl ZINC000729078122 583953040 /nfs/dbraw/zinc/95/30/40/583953040.db2.gz KHCWZMCMJWDZRH-JTQLQIEISA-N 0 0 240.730 3.614 20 0 BHADRN CC[C@@H](C)OC(=O)CCc1ccccc1Cl ZINC000729078123 583953020 /nfs/dbraw/zinc/95/30/20/583953020.db2.gz KHCWZMCMJWDZRH-SNVBAGLBSA-N 0 0 240.730 3.614 20 0 BHADRN CC[C@@H](C)OC(=O)/C=C\c1ccc(Cl)s1 ZINC000729078140 583953036 /nfs/dbraw/zinc/95/30/36/583953036.db2.gz KTPHOLXDUXPISH-GRKOMRHMSA-N 0 0 244.743 3.756 20 0 BHADRN CC[C@H](C)OC(=O)/C=C/c1ccc(Cl)s1 ZINC000729078141 583953062 /nfs/dbraw/zinc/95/30/62/583953062.db2.gz KTPHOLXDUXPISH-IVGLGHLBSA-N 0 0 244.743 3.756 20 0 BHADRN CC[C@H](C)OC(=O)/C=C\c1ccc(Cl)s1 ZINC000729078142 583953059 /nfs/dbraw/zinc/95/30/59/583953059.db2.gz KTPHOLXDUXPISH-TVSKSKRASA-N 0 0 244.743 3.756 20 0 BHADRN CC[C@@H](C)OC(=O)/C=C/c1ccc(Cl)s1 ZINC000729078143 583952857 /nfs/dbraw/zinc/95/28/57/583952857.db2.gz KTPHOLXDUXPISH-WVXIBAHESA-N 0 0 244.743 3.756 20 0 BHADRN CC[C@H](C)OC(=O)CCc1ccc(Cl)cc1 ZINC000729078158 583953021 /nfs/dbraw/zinc/95/30/21/583953021.db2.gz LKWDFHKGOZPXGV-JTQLQIEISA-N 0 0 240.730 3.614 20 0 BHADRN CC[C@@H](C)OC(=O)CCc1ccc(Cl)cc1 ZINC000729078159 583953068 /nfs/dbraw/zinc/95/30/68/583953068.db2.gz LKWDFHKGOZPXGV-SNVBAGLBSA-N 0 0 240.730 3.614 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)c1cccn1C ZINC000729078175 583953070 /nfs/dbraw/zinc/95/30/70/583953070.db2.gz ABGXOIXAUBIQKF-GFCCVEGCSA-N 0 0 237.343 3.541 20 0 BHADRN CCCCCC[C@H](C)OC(=O)c1cccn1C ZINC000729078176 583953017 /nfs/dbraw/zinc/95/30/17/583953017.db2.gz ABGXOIXAUBIQKF-LBPRGKRZSA-N 0 0 237.343 3.541 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)c1cccc(C)n1 ZINC000729078271 583952306 /nfs/dbraw/zinc/95/23/06/583952306.db2.gz BXHMLXGCVCXTSF-CYBMUJFWSA-N 0 0 249.354 3.906 20 0 BHADRN CCCCCC[C@H](C)OC(=O)c1cccc(C)n1 ZINC000729078272 583952595 /nfs/dbraw/zinc/95/25/95/583952595.db2.gz BXHMLXGCVCXTSF-ZDUSSCGKSA-N 0 0 249.354 3.906 20 0 BHADRN CC[C@H](C)OC(=O)c1cc2cccc(C)c2o1 ZINC000729078281 583952425 /nfs/dbraw/zinc/95/24/25/583952425.db2.gz FTZBCYNMLOOUDQ-JTQLQIEISA-N 0 0 232.279 3.697 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc2cccc(C)c2o1 ZINC000729078282 583952431 /nfs/dbraw/zinc/95/24/31/583952431.db2.gz FTZBCYNMLOOUDQ-SNVBAGLBSA-N 0 0 232.279 3.697 20 0 BHADRN CC[C@@H](C)OC(=O)c1sc(C(C)C)nc1C ZINC000729078323 583952320 /nfs/dbraw/zinc/95/23/20/583952320.db2.gz IHNXOUYNHGEWSQ-MRVPVSSYSA-N 0 0 241.356 3.530 20 0 BHADRN CC[C@H](C)OC(=O)c1sc(C(C)C)nc1C ZINC000729078324 583952478 /nfs/dbraw/zinc/95/24/78/583952478.db2.gz IHNXOUYNHGEWSQ-QMMMGPOBSA-N 0 0 241.356 3.530 20 0 BHADRN CC[C@@H](C)OC(=O)CC(C)(C)c1ccccc1 ZINC000729078339 583952464 /nfs/dbraw/zinc/95/24/64/583952464.db2.gz ISXFYFQIBSLNJD-GFCCVEGCSA-N 0 0 234.339 3.696 20 0 BHADRN CC[C@H](C)OC(=O)CC(C)(C)c1ccccc1 ZINC000729078340 583952402 /nfs/dbraw/zinc/95/24/02/583952402.db2.gz ISXFYFQIBSLNJD-LBPRGKRZSA-N 0 0 234.339 3.696 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)c1cccnc1 ZINC000729078443 583952556 /nfs/dbraw/zinc/95/25/56/583952556.db2.gz DDKKXCPQBICFCQ-GFCCVEGCSA-N 0 0 235.327 3.597 20 0 BHADRN CCCCCC[C@H](C)OC(=O)c1cccnc1 ZINC000729078445 583952563 /nfs/dbraw/zinc/95/25/63/583952563.db2.gz DDKKXCPQBICFCQ-LBPRGKRZSA-N 0 0 235.327 3.597 20 0 BHADRN CC[C@H](C)OC(=O)Cc1csc2ccccc12 ZINC000729078481 583952608 /nfs/dbraw/zinc/95/26/08/583952608.db2.gz NSKKAZXVTIXOSP-JTQLQIEISA-N 0 0 248.347 3.786 20 0 BHADRN CC[C@@H](C)OC(=O)Cc1csc2ccccc12 ZINC000729078494 583952462 /nfs/dbraw/zinc/95/24/62/583952462.db2.gz NSKKAZXVTIXOSP-SNVBAGLBSA-N 0 0 248.347 3.786 20 0 BHADRN CC[C@H](C)OC(=O)c1cc(SC)ccc1C ZINC000729078515 583952318 /nfs/dbraw/zinc/95/23/18/583952318.db2.gz OBDBWCHILHQYEB-JTQLQIEISA-N 0 0 238.352 3.672 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc(SC)ccc1C ZINC000729078517 583952507 /nfs/dbraw/zinc/95/25/07/583952507.db2.gz OBDBWCHILHQYEB-SNVBAGLBSA-N 0 0 238.352 3.672 20 0 BHADRN CC[C@H](C)OC(=O)CCc1cccc(Cl)c1 ZINC000729079266 711790436 /nfs/dbraw/zinc/79/04/36/711790436.db2.gz XKSKDCLPZMZDFJ-JTQLQIEISA-N 0 0 240.730 3.614 20 0 BHADRN CC[C@@H](C)OC(=O)CCc1cccc(Cl)c1 ZINC000729079269 711790562 /nfs/dbraw/zinc/79/05/62/711790562.db2.gz XKSKDCLPZMZDFJ-SNVBAGLBSA-N 0 0 240.730 3.614 20 0 BHADRN CC[C@@H](C)OC(=O)CCCc1ccc(C)cc1 ZINC000729079377 711790561 /nfs/dbraw/zinc/79/05/61/711790561.db2.gz YILNZNNRIMDHQG-CYBMUJFWSA-N 0 0 234.339 3.659 20 0 BHADRN CC[C@H](C)OC(=O)CCCc1ccc(C)cc1 ZINC000729079378 711790481 /nfs/dbraw/zinc/79/04/81/711790481.db2.gz YILNZNNRIMDHQG-ZDUSSCGKSA-N 0 0 234.339 3.659 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc(Cl)ccc1Cl ZINC000729079387 711790570 /nfs/dbraw/zinc/79/05/70/711790570.db2.gz YVCWQGLLILMCCQ-SSDOTTSWSA-N 0 0 247.121 3.949 20 0 BHADRN CC[C@H](C)OC(=O)c1cc(Cl)ccc1Cl ZINC000729079388 711790490 /nfs/dbraw/zinc/79/04/90/711790490.db2.gz YVCWQGLLILMCCQ-ZETCQYMHSA-N 0 0 247.121 3.949 20 0 BHADRN CC[C@@H](C)OC(=O)/C=C\Sc1ccccc1 ZINC000729079391 711790498 /nfs/dbraw/zinc/79/04/98/711790498.db2.gz ZDUWBJSTFXXDCR-DWOQACPDSA-N 0 0 236.336 3.634 20 0 BHADRN CC[C@H](C)OC(=O)/C=C\Sc1ccccc1 ZINC000729079392 711790532 /nfs/dbraw/zinc/79/05/32/711790532.db2.gz ZDUWBJSTFXXDCR-JUDLJHIGSA-N 0 0 236.336 3.634 20 0 BHADRN CC[C@@H](C)OC(=O)/C=C/Sc1ccccc1 ZINC000729079393 711790550 /nfs/dbraw/zinc/79/05/50/711790550.db2.gz ZDUWBJSTFXXDCR-PBQZMEPESA-N 0 0 236.336 3.634 20 0 BHADRN CC[C@H](C)OC(=O)/C=C/Sc1ccccc1 ZINC000729079394 711790564 /nfs/dbraw/zinc/79/05/64/711790564.db2.gz ZDUWBJSTFXXDCR-USKTWTLRSA-N 0 0 236.336 3.634 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)CCSC ZINC000729079739 583952867 /nfs/dbraw/zinc/95/28/67/583952867.db2.gz RNXFCPQFBSAEIB-LLVKDONJSA-N 0 0 232.389 3.642 20 0 BHADRN CCCCCC[C@H](C)OC(=O)CCSC ZINC000729079740 583952732 /nfs/dbraw/zinc/95/27/32/583952732.db2.gz RNXFCPQFBSAEIB-NSHDSACASA-N 0 0 232.389 3.642 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)[C@@H](C)SC ZINC000729079934 583952809 /nfs/dbraw/zinc/95/28/09/583952809.db2.gz UUMSYIPMFDPLHJ-GHMZBOCLSA-N 0 0 232.389 3.640 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)[C@H](C)SC ZINC000729079935 711790335 /nfs/dbraw/zinc/79/03/35/711790335.db2.gz UUMSYIPMFDPLHJ-MNOVXSKESA-N 0 0 232.389 3.640 20 0 BHADRN CCCCCC[C@H](C)OC(=O)[C@H](C)SC ZINC000729079936 711790369 /nfs/dbraw/zinc/79/03/69/711790369.db2.gz UUMSYIPMFDPLHJ-QWRGUYRKSA-N 0 0 232.389 3.640 20 0 BHADRN CCCCCC[C@H](C)OC(=O)[C@@H](C)SC ZINC000729079937 711790367 /nfs/dbraw/zinc/79/03/67/711790367.db2.gz UUMSYIPMFDPLHJ-WDEREUQCSA-N 0 0 232.389 3.640 20 0 BHADRN Cc1cccc(CC(=O)O[C@H](C)CC(C)C)c1 ZINC000729079975 711790363 /nfs/dbraw/zinc/79/03/63/711790363.db2.gz HPTYIXYRDRKKEA-CYBMUJFWSA-N 0 0 234.339 3.515 20 0 BHADRN Cc1cccc(CC(=O)O[C@@H](C)CC(C)C)c1 ZINC000729079976 711790341 /nfs/dbraw/zinc/79/03/41/711790341.db2.gz HPTYIXYRDRKKEA-ZDUSSCGKSA-N 0 0 234.339 3.515 20 0 BHADRN Cc1ccc(C(=O)O[C@H](C)CC(C)C)cc1 ZINC000729079979 711790354 /nfs/dbraw/zinc/79/03/54/711790354.db2.gz HTNJXABBXSJUJX-GFCCVEGCSA-N 0 0 220.312 3.586 20 0 BHADRN Cc1ccc(C(=O)O[C@@H](C)CC(C)C)cc1 ZINC000729079980 636596376 /nfs/dbraw/zinc/59/63/76/636596376.db2.gz HTNJXABBXSJUJX-LBPRGKRZSA-N 0 0 220.312 3.586 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)CC1CC1 ZINC000729080001 636596810 /nfs/dbraw/zinc/59/68/10/636596810.db2.gz WCKRWPOTMDRNFB-LLVKDONJSA-N 0 0 212.333 3.689 20 0 BHADRN CCCCCC[C@H](C)OC(=O)CC1CC1 ZINC000729080003 636596901 /nfs/dbraw/zinc/59/69/01/636596901.db2.gz WCKRWPOTMDRNFB-NSHDSACASA-N 0 0 212.333 3.689 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)c1ccco1 ZINC000729080150 636596759 /nfs/dbraw/zinc/59/67/59/636596759.db2.gz XUDZCLZZFLJONP-LLVKDONJSA-N 0 0 224.300 3.795 20 0 BHADRN CCCCCC[C@H](C)OC(=O)c1ccco1 ZINC000729080151 636597338 /nfs/dbraw/zinc/59/73/38/636597338.db2.gz XUDZCLZZFLJONP-NSHDSACASA-N 0 0 224.300 3.795 20 0 BHADRN CC[C@@H](C)OC(=O)Cc1cccc2ccccc21 ZINC000729080275 636596534 /nfs/dbraw/zinc/59/65/34/636596534.db2.gz BAXHYIAECQQDIP-GFCCVEGCSA-N 0 0 242.318 3.724 20 0 BHADRN CC[C@H](C)OC(=O)Cc1cccc2ccccc21 ZINC000729080277 636597229 /nfs/dbraw/zinc/59/72/29/636597229.db2.gz BAXHYIAECQQDIP-LBPRGKRZSA-N 0 0 242.318 3.724 20 0 BHADRN CC(C)CCSCC(=O)O[C@H](C)CC(C)C ZINC000729080344 636596445 /nfs/dbraw/zinc/59/64/45/636596445.db2.gz LRZLSCSMRIZICN-GFCCVEGCSA-N 0 0 246.416 3.744 20 0 BHADRN CC(C)CCSCC(=O)O[C@@H](C)CC(C)C ZINC000729080346 636597265 /nfs/dbraw/zinc/59/72/65/636597265.db2.gz LRZLSCSMRIZICN-LBPRGKRZSA-N 0 0 246.416 3.744 20 0 BHADRN CCS[C@H](C(=O)O[C@H](C)CC(C)C)C(C)C ZINC000729080381 636596389 /nfs/dbraw/zinc/59/63/89/636596389.db2.gz MPJAFGYGNSVUIE-NEPJUHHUSA-N 0 0 246.416 3.742 20 0 BHADRN CCS[C@@H](C(=O)O[C@@H](C)CC(C)C)C(C)C ZINC000729080382 636596672 /nfs/dbraw/zinc/59/66/72/636596672.db2.gz MPJAFGYGNSVUIE-NWDGAFQWSA-N 0 0 246.416 3.742 20 0 BHADRN CCS[C@H](C(=O)O[C@@H](C)CC(C)C)C(C)C ZINC000729080383 636597296 /nfs/dbraw/zinc/59/72/96/636597296.db2.gz MPJAFGYGNSVUIE-RYUDHWBXSA-N 0 0 246.416 3.742 20 0 BHADRN CCS[C@@H](C(=O)O[C@H](C)CC(C)C)C(C)C ZINC000729080385 636596613 /nfs/dbraw/zinc/59/66/13/636596613.db2.gz MPJAFGYGNSVUIE-VXGBXAGGSA-N 0 0 246.416 3.742 20 0 BHADRN Cc1ccc(CC(=O)O[C@@H](C)CC(C)C)s1 ZINC000729080603 636596313 /nfs/dbraw/zinc/59/63/13/636596313.db2.gz PDCRABAZJSFXJR-JTQLQIEISA-N 0 0 240.368 3.577 20 0 BHADRN Cc1ccc(CC(=O)O[C@H](C)CC(C)C)s1 ZINC000729080606 636597273 /nfs/dbraw/zinc/59/72/73/636597273.db2.gz PDCRABAZJSFXJR-SNVBAGLBSA-N 0 0 240.368 3.577 20 0 BHADRN CCC[C@@H](C)CC(=O)O[C@@H](C)CC(C)C ZINC000729081183 583953031 /nfs/dbraw/zinc/95/30/31/583953031.db2.gz WSEHJGJSQGANPO-NEPJUHHUSA-N 0 0 214.349 3.791 20 0 BHADRN CCC[C@H](C)CC(=O)O[C@H](C)CC(C)C ZINC000729081185 636596453 /nfs/dbraw/zinc/59/64/53/636596453.db2.gz WSEHJGJSQGANPO-NWDGAFQWSA-N 0 0 214.349 3.791 20 0 BHADRN CCC[C@H](C)CC(=O)O[C@@H](C)CC(C)C ZINC000729081186 636596853 /nfs/dbraw/zinc/59/68/53/636596853.db2.gz WSEHJGJSQGANPO-RYUDHWBXSA-N 0 0 214.349 3.791 20 0 BHADRN CCC[C@@H](C)CC(=O)O[C@H](C)CC(C)C ZINC000729081188 636596325 /nfs/dbraw/zinc/59/63/25/636596325.db2.gz WSEHJGJSQGANPO-VXGBXAGGSA-N 0 0 214.349 3.791 20 0 BHADRN Cc1ccccc1CC(=O)O[C@H](C)CC(C)C ZINC000729081192 636596550 /nfs/dbraw/zinc/59/65/50/636596550.db2.gz DOQJXHHYMLTRTB-CYBMUJFWSA-N 0 0 234.339 3.515 20 0 BHADRN Cc1ccccc1CC(=O)O[C@@H](C)CC(C)C ZINC000729081194 636597314 /nfs/dbraw/zinc/59/73/14/636597314.db2.gz DOQJXHHYMLTRTB-ZDUSSCGKSA-N 0 0 234.339 3.515 20 0 BHADRN CCc1ccc(CCC(=O)O[C@H](C)CC)cc1 ZINC000729081297 583954008 /nfs/dbraw/zinc/95/40/08/583954008.db2.gz JXGFHHMLSGHGQF-GFCCVEGCSA-N 0 0 234.339 3.523 20 0 BHADRN CCc1ccc(CCC(=O)O[C@@H](C)CC)cc1 ZINC000729081298 583953850 /nfs/dbraw/zinc/95/38/50/583953850.db2.gz JXGFHHMLSGHGQF-LBPRGKRZSA-N 0 0 234.339 3.523 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)CCc1ccsc1 ZINC000729081413 711790536 /nfs/dbraw/zinc/79/05/36/711790536.db2.gz GFCLOUWOLUTMAP-LLVKDONJSA-N 0 0 240.368 3.659 20 0 BHADRN CC(C)C[C@H](C)OC(=O)CCc1ccsc1 ZINC000729081415 711790515 /nfs/dbraw/zinc/79/05/15/711790515.db2.gz GFCLOUWOLUTMAP-NSHDSACASA-N 0 0 240.368 3.659 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)c1ccc(F)c(F)c1 ZINC000729081430 711790473 /nfs/dbraw/zinc/79/04/73/711790473.db2.gz 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3.524 20 0 BHADRN CC(C)C[C@H](C)OC(=O)c1ccc(Cl)o1 ZINC000729081589 636597915 /nfs/dbraw/zinc/59/79/15/636597915.db2.gz JVFDWHUFJDLUDB-QMMMGPOBSA-N 0 0 230.691 3.524 20 0 BHADRN CCc1ccc([C@@H](C)C(=O)O[C@@H](C)C2CC2)cc1 ZINC000729081670 636598150 /nfs/dbraw/zinc/59/81/50/636598150.db2.gz LHBGGKQMYYCUDL-NEPJUHHUSA-N 0 0 246.350 3.694 20 0 BHADRN CCc1ccc([C@H](C)C(=O)O[C@H](C)C2CC2)cc1 ZINC000729081671 636598380 /nfs/dbraw/zinc/59/83/80/636598380.db2.gz LHBGGKQMYYCUDL-NWDGAFQWSA-N 0 0 246.350 3.694 20 0 BHADRN CCc1ccc([C@H](C)C(=O)O[C@@H](C)C2CC2)cc1 ZINC000729081672 636598806 /nfs/dbraw/zinc/59/88/06/636598806.db2.gz LHBGGKQMYYCUDL-RYUDHWBXSA-N 0 0 246.350 3.694 20 0 BHADRN CCc1ccc([C@@H](C)C(=O)O[C@H](C)C2CC2)cc1 ZINC000729081673 636598343 /nfs/dbraw/zinc/59/83/43/636598343.db2.gz LHBGGKQMYYCUDL-VXGBXAGGSA-N 0 0 246.350 3.694 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)c1cc(F)cc(F)c1 ZINC000729081710 636598320 /nfs/dbraw/zinc/59/83/20/636598320.db2.gz KUMMPQBOIFFTHY-SECBINFHSA-N 0 0 242.265 3.556 20 0 BHADRN CC(C)C[C@H](C)OC(=O)c1cc(F)cc(F)c1 ZINC000729081711 583953330 /nfs/dbraw/zinc/95/33/30/583953330.db2.gz KUMMPQBOIFFTHY-VIFPVBQESA-N 0 0 242.265 3.556 20 0 BHADRN CC[C@@H](C)OC(=O)c1cn(CC)c2ccccc12 ZINC000729081746 583953560 /nfs/dbraw/zinc/95/35/60/583953560.db2.gz MBEAXOZJTFQJNO-LLVKDONJSA-N 0 0 245.322 3.617 20 0 BHADRN CC[C@H](C)OC(=O)c1cn(CC)c2ccccc12 ZINC000729081748 583953284 /nfs/dbraw/zinc/95/32/84/583953284.db2.gz MBEAXOZJTFQJNO-NSHDSACASA-N 0 0 245.322 3.617 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)c1cc2ccccc2[nH]1 ZINC000729081760 583953368 /nfs/dbraw/zinc/95/33/68/583953368.db2.gz MLYNJGRIEGIPMF-LLVKDONJSA-N 0 0 245.322 3.759 20 0 BHADRN CC(C)C[C@H](C)OC(=O)c1cc2ccccc2[nH]1 ZINC000729081761 583953564 /nfs/dbraw/zinc/95/35/64/583953564.db2.gz MLYNJGRIEGIPMF-NSHDSACASA-N 0 0 245.322 3.759 20 0 BHADRN CC[C@@H](C)OC(=O)c1csc2ccccc12 ZINC000729081852 583953565 /nfs/dbraw/zinc/95/35/65/583953565.db2.gz NDKBXCVCDDCWMT-SECBINFHSA-N 0 0 234.320 3.857 20 0 BHADRN CC[C@H](C)OC(=O)c1csc2ccccc12 ZINC000729081853 583953410 /nfs/dbraw/zinc/95/34/10/583953410.db2.gz NDKBXCVCDDCWMT-VIFPVBQESA-N 0 0 234.320 3.857 20 0 BHADRN C[C@H](OC(=O)CCCC(C)(C)C)C1CC1 ZINC000729081984 583953583 /nfs/dbraw/zinc/95/35/83/583953583.db2.gz OOSVEUSOVMLXNH-JTQLQIEISA-N 0 0 212.333 3.545 20 0 BHADRN C[C@@H](OC(=O)CCCC(C)(C)C)C1CC1 ZINC000729081985 583953546 /nfs/dbraw/zinc/95/35/46/583953546.db2.gz OOSVEUSOVMLXNH-SNVBAGLBSA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)c1ccc(F)cc1F ZINC000729081992 583953381 /nfs/dbraw/zinc/95/33/81/583953381.db2.gz NWCNBXTWBBKXMD-SECBINFHSA-N 0 0 242.265 3.556 20 0 BHADRN CC(C)C[C@H](C)OC(=O)c1ccc(F)cc1F ZINC000729081993 583953300 /nfs/dbraw/zinc/95/33/00/583953300.db2.gz NWCNBXTWBBKXMD-VIFPVBQESA-N 0 0 242.265 3.556 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc2c(s1)CCCC2 ZINC000729082054 583953289 /nfs/dbraw/zinc/95/32/89/583953289.db2.gz OUAJRJAEBCPSRS-SECBINFHSA-N 0 0 238.352 3.582 20 0 BHADRN CC[C@H](C)OC(=O)c1cc2c(s1)CCCC2 ZINC000729082056 583953554 /nfs/dbraw/zinc/95/35/54/583953554.db2.gz OUAJRJAEBCPSRS-VIFPVBQESA-N 0 0 238.352 3.582 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc2ccccc2s1 ZINC000729082072 583953517 /nfs/dbraw/zinc/95/35/17/583953517.db2.gz PBOLWVNFTQRXMO-SECBINFHSA-N 0 0 234.320 3.857 20 0 BHADRN CC[C@H](C)OC(=O)c1cc2ccccc2s1 ZINC000729082074 583953494 /nfs/dbraw/zinc/95/34/94/583953494.db2.gz PBOLWVNFTQRXMO-VIFPVBQESA-N 0 0 234.320 3.857 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)c1ccc2cc[nH]c2c1 ZINC000729082122 583953267 /nfs/dbraw/zinc/95/32/67/583953267.db2.gz QSBZCXDEXXFJKK-LLVKDONJSA-N 0 0 245.322 3.759 20 0 BHADRN CC(C)C[C@H](C)OC(=O)c1ccc2cc[nH]c2c1 ZINC000729082123 583953293 /nfs/dbraw/zinc/95/32/93/583953293.db2.gz QSBZCXDEXXFJKK-NSHDSACASA-N 0 0 245.322 3.759 20 0 BHADRN CC[C@H](CC(=O)O[C@H](C)C1CC1)c1ccccc1 ZINC000729082249 583953265 /nfs/dbraw/zinc/95/32/65/583953265.db2.gz QTAYFTTVAGBCHD-CHWSQXEVSA-N 0 0 246.350 3.912 20 0 BHADRN CC[C@@H](CC(=O)O[C@H](C)C1CC1)c1ccccc1 ZINC000729082250 583953522 /nfs/dbraw/zinc/95/35/22/583953522.db2.gz QTAYFTTVAGBCHD-OLZOCXBDSA-N 0 0 246.350 3.912 20 0 BHADRN CC[C@H](CC(=O)O[C@@H](C)C1CC1)c1ccccc1 ZINC000729082251 583953528 /nfs/dbraw/zinc/95/35/28/583953528.db2.gz QTAYFTTVAGBCHD-QWHCGFSZSA-N 0 0 246.350 3.912 20 0 BHADRN CC[C@@H](CC(=O)O[C@@H](C)C1CC1)c1ccccc1 ZINC000729082252 583953590 /nfs/dbraw/zinc/95/35/90/583953590.db2.gz QTAYFTTVAGBCHD-STQMWFEESA-N 0 0 246.350 3.912 20 0 BHADRN Cc1cccc(C(=O)O[C@H](C)CC(C)C)c1 ZINC000729082353 583953273 /nfs/dbraw/zinc/95/32/73/583953273.db2.gz RVKDJRXOPVZLLC-GFCCVEGCSA-N 0 0 220.312 3.586 20 0 BHADRN Cc1cccc(C(=O)O[C@@H](C)CC(C)C)c1 ZINC000729082355 583953249 /nfs/dbraw/zinc/95/32/49/583953249.db2.gz RVKDJRXOPVZLLC-LBPRGKRZSA-N 0 0 220.312 3.586 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000729082424 583953307 /nfs/dbraw/zinc/95/33/07/583953307.db2.gz VPFCWZZIIYSKPP-MRVPVSSYSA-N 0 0 246.228 3.661 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000729082426 583953595 /nfs/dbraw/zinc/95/35/95/583953595.db2.gz VPFCWZZIIYSKPP-QMMMGPOBSA-N 0 0 246.228 3.661 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)c1ccc(Cl)s1 ZINC000729082542 583953349 /nfs/dbraw/zinc/95/33/49/583953349.db2.gz TYKLGHUWLRNLEL-MRVPVSSYSA-N 0 0 246.759 3.993 20 0 BHADRN CC(C)C[C@H](C)OC(=O)c1ccc(Cl)s1 ZINC000729082543 583953317 /nfs/dbraw/zinc/95/33/17/583953317.db2.gz TYKLGHUWLRNLEL-QMMMGPOBSA-N 0 0 246.759 3.993 20 0 BHADRN Cc1ccc2oc(C(=O)O[C@@H](C)C3CC3)cc2c1 ZINC000729082580 583953567 /nfs/dbraw/zinc/95/35/67/583953567.db2.gz VBLVXXDTMONIBC-JTQLQIEISA-N 0 0 244.290 3.697 20 0 BHADRN Cc1ccc2oc(C(=O)O[C@H](C)C3CC3)cc2c1 ZINC000729082581 583953479 /nfs/dbraw/zinc/95/34/79/583953479.db2.gz VBLVXXDTMONIBC-SNVBAGLBSA-N 0 0 244.290 3.697 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc(C)n(C(C)C)c1C ZINC000729082637 583953342 /nfs/dbraw/zinc/95/33/42/583953342.db2.gz XWPJMWDKMMINIZ-LLVKDONJSA-N 0 0 237.343 3.641 20 0 BHADRN CC[C@H](C)OC(=O)c1cc(C)n(C(C)C)c1C ZINC000729082639 583953295 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CC(C)(C)COC(=O)Cc1cc2ccccc2o1 ZINC000729096692 583956991 /nfs/dbraw/zinc/95/69/91/583956991.db2.gz VPTVJJZFRBPPBR-UHFFFAOYSA-N 0 0 246.306 3.565 20 0 BHADRN Cc1ccccc1C1(C(=O)OCC(C)(C)C)CC1 ZINC000729096741 583957145 /nfs/dbraw/zinc/95/71/45/583957145.db2.gz ZFFZSBJNWUWFAI-UHFFFAOYSA-N 0 0 246.350 3.616 20 0 BHADRN CC(C)(C)COC(=O)c1ccc(Cl)s1 ZINC000729097194 583957552 /nfs/dbraw/zinc/95/75/52/583957552.db2.gz DKWTXCIUDKUVMB-UHFFFAOYSA-N 0 0 232.732 3.604 20 0 BHADRN Cc1ccc(C(=O)OCC(C)(C)C)cc1C ZINC000729097321 583957399 /nfs/dbraw/zinc/95/73/99/583957399.db2.gz MJYMTUBNCZQCPF-UHFFFAOYSA-N 0 0 220.312 3.506 20 0 BHADRN Cc1ccc(C)c(C(=O)OCC(C)(C)C)c1 ZINC000729097345 583957723 /nfs/dbraw/zinc/95/77/23/583957723.db2.gz NPTZGLCNZYAGPS-UHFFFAOYSA-N 0 0 220.312 3.506 20 0 BHADRN CC(C)(C)COC(=O)c1ccc(Cl)cc1F ZINC000729097358 583957377 /nfs/dbraw/zinc/95/73/77/583957377.db2.gz OCZJAQUKDNDYJA-UHFFFAOYSA-N 0 0 244.693 3.682 20 0 BHADRN CC(C)(C)COC(=O)CCCc1cccs1 ZINC000729097616 583957208 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3.747 20 0 BHADRN CC/C=C/COC(=O)c1cccc(C(F)F)c1 ZINC000729187471 583963394 /nfs/dbraw/zinc/96/33/94/583963394.db2.gz COCQGPJRYXGHKJ-ONEGZZNKSA-N 0 0 240.249 3.747 20 0 BHADRN CCCCCOC(=O)c1cccc(C(F)F)c1 ZINC000729189334 636629127 /nfs/dbraw/zinc/62/91/27/636629127.db2.gz CDFSGHQPVRYOHD-UHFFFAOYSA-N 0 0 242.265 3.971 20 0 BHADRN CC(C)(C)COC(=O)c1cccc(C(F)F)c1 ZINC000729202751 583965031 /nfs/dbraw/zinc/96/50/31/583965031.db2.gz VOYFPSAZEWSSLI-UHFFFAOYSA-N 0 0 242.265 3.827 20 0 BHADRN CC[C@H](C)C(=O)OC[C@H]1CCCc2ccccc21 ZINC000729216241 583969290 /nfs/dbraw/zinc/96/92/90/583969290.db2.gz BRFKXYVJOFASDI-GXTWGEPZSA-N 0 0 246.350 3.696 20 0 BHADRN CC[C@H](C)C(=O)OC[C@@H]1CCCc2ccccc21 ZINC000729216244 583969148 /nfs/dbraw/zinc/96/91/48/583969148.db2.gz BRFKXYVJOFASDI-JSGCOSHPSA-N 0 0 246.350 3.696 20 0 BHADRN CC[C@@H](C)C(=O)OC[C@@H]1CCCc2ccccc21 ZINC000729216247 583969330 /nfs/dbraw/zinc/96/93/30/583969330.db2.gz BRFKXYVJOFASDI-OCCSQVGLSA-N 0 0 246.350 3.696 20 0 BHADRN CC[C@@H](C)C(=O)OC[C@H]1CCCc2ccccc21 ZINC000729216249 583969272 /nfs/dbraw/zinc/96/92/72/583969272.db2.gz BRFKXYVJOFASDI-TZMCWYRMSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)CC(=O)OC[C@@H]1CCCc2ccccc21 ZINC000729217498 583969320 /nfs/dbraw/zinc/96/93/20/583969320.db2.gz FUIAICPMGMCANY-AWEZNQCLSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)CC(=O)OC[C@H]1CCCc2ccccc21 ZINC000729217499 583969054 /nfs/dbraw/zinc/96/90/54/583969054.db2.gz FUIAICPMGMCANY-CQSZACIVSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)(C)C(=O)OC[C@H]1CCCc2ccccc21 ZINC000729218550 583969500 /nfs/dbraw/zinc/96/95/00/583969500.db2.gz LSQZKOOMXICASG-CYBMUJFWSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)(C)C(=O)OC[C@@H]1CCCc2ccccc21 ZINC000729218551 583969612 /nfs/dbraw/zinc/96/96/12/583969612.db2.gz LSQZKOOMXICASG-ZDUSSCGKSA-N 0 0 246.350 3.696 20 0 BHADRN CCCCC(=O)OC[C@@H]1CCCc2ccccc21 ZINC000729219225 583971188 /nfs/dbraw/zinc/97/11/88/583971188.db2.gz PVALGKJRVDCNME-AWEZNQCLSA-N 0 0 246.350 3.840 20 0 BHADRN CCCCC(=O)OC[C@H]1CCCc2ccccc21 ZINC000729219229 583971242 /nfs/dbraw/zinc/97/12/42/583971242.db2.gz PVALGKJRVDCNME-CQSZACIVSA-N 0 0 246.350 3.840 20 0 BHADRN CC(C)=CC(=O)OC[C@@H]1CCCc2ccccc21 ZINC000729219424 583971136 /nfs/dbraw/zinc/97/11/36/583971136.db2.gz QFENHQHEVHLNDF-AWEZNQCLSA-N 0 0 244.334 3.616 20 0 BHADRN CC(C)=CC(=O)OC[C@H]1CCCc2ccccc21 ZINC000729219425 583971254 /nfs/dbraw/zinc/97/12/54/583971254.db2.gz QFENHQHEVHLNDF-CQSZACIVSA-N 0 0 244.334 3.616 20 0 BHADRN CCCN1CC[C@@H](C)Sc2ccccc21 ZINC000729265302 583987967 /nfs/dbraw/zinc/98/79/67/583987967.db2.gz DKUODPIZFZGCNJ-LLVKDONJSA-N 0 0 221.369 3.787 20 0 BHADRN CCCN1CC[C@H](C)Sc2ccccc21 ZINC000729265303 583988141 /nfs/dbraw/zinc/98/81/41/583988141.db2.gz DKUODPIZFZGCNJ-NSHDSACASA-N 0 0 221.369 3.787 20 0 BHADRN C[C@H](CC(=O)OCC1CCCCC1)n1cccc1 ZINC000729289222 583989580 /nfs/dbraw/zinc/98/95/80/583989580.db2.gz IGBJMBGXHPBSOF-CYBMUJFWSA-N 0 0 249.354 3.563 20 0 BHADRN C[C@@H](CC(=O)OCC1CCCCC1)n1cccc1 ZINC000729289223 583989595 /nfs/dbraw/zinc/98/95/95/583989595.db2.gz IGBJMBGXHPBSOF-ZDUSSCGKSA-N 0 0 249.354 3.563 20 0 BHADRN CCC/C=C/C(=O)Nc1nc2ccccc2s1 ZINC000729304221 583989886 /nfs/dbraw/zinc/98/98/86/583989886.db2.gz KNUKZLNVKFQDGZ-RUDMXATFSA-N 0 0 246.335 3.591 20 0 BHADRN CCC/C=C\C(=O)Nc1nc2ccccc2s1 ZINC000729304222 583989892 /nfs/dbraw/zinc/98/98/92/583989892.db2.gz KNUKZLNVKFQDGZ-WTKPLQERSA-N 0 0 246.335 3.591 20 0 BHADRN CC[C@H](CC(=O)Oc1ccccc1F)C(C)C ZINC000729304467 583989923 /nfs/dbraw/zinc/98/99/23/583989923.db2.gz OEYRLXQNVNVILG-LLVKDONJSA-N 0 0 238.302 3.803 20 0 BHADRN CC[C@@H](CC(=O)Oc1ccccc1F)C(C)C ZINC000729304468 583989994 /nfs/dbraw/zinc/98/99/94/583989994.db2.gz OEYRLXQNVNVILG-NSHDSACASA-N 0 0 238.302 3.803 20 0 BHADRN CC[C@H](CC(=O)Oc1cccc(F)c1)C(C)C ZINC000729304681 583990005 /nfs/dbraw/zinc/99/00/05/583990005.db2.gz GJNRISLMXTXNCO-LLVKDONJSA-N 0 0 238.302 3.803 20 0 BHADRN CC[C@@H](CC(=O)Oc1cccc(F)c1)C(C)C ZINC000729304683 583989842 /nfs/dbraw/zinc/98/98/42/583989842.db2.gz GJNRISLMXTXNCO-NSHDSACASA-N 0 0 238.302 3.803 20 0 BHADRN CC[C@H](CC(=O)Oc1ccc(F)cc1)C(C)C ZINC000729304742 583990016 /nfs/dbraw/zinc/99/00/16/583990016.db2.gz IFILNHIHRCZTBM-LLVKDONJSA-N 0 0 238.302 3.803 20 0 BHADRN CC[C@@H](CC(=O)Oc1ccc(F)cc1)C(C)C ZINC000729304744 583989956 /nfs/dbraw/zinc/98/99/56/583989956.db2.gz IFILNHIHRCZTBM-NSHDSACASA-N 0 0 238.302 3.803 20 0 BHADRN CC[C@H](CC(=O)Oc1ccc(C)cc1)C(C)C ZINC000729305173 583989848 /nfs/dbraw/zinc/98/98/48/583989848.db2.gz MSVZZGFUHJGMED-CYBMUJFWSA-N 0 0 234.339 3.973 20 0 BHADRN CC[C@@H](CC(=O)Oc1ccc(C)cc1)C(C)C ZINC000729305221 583989980 /nfs/dbraw/zinc/98/99/80/583989980.db2.gz MSVZZGFUHJGMED-ZDUSSCGKSA-N 0 0 234.339 3.973 20 0 BHADRN CC[C@H](CC(=O)Oc1ccccc1)C(C)C ZINC000729305595 583989957 /nfs/dbraw/zinc/98/99/57/583989957.db2.gz RZFTZMATTPFJJF-GFCCVEGCSA-N 0 0 220.312 3.664 20 0 BHADRN CC[C@@H](CC(=O)Oc1ccccc1)C(C)C ZINC000729305596 583989805 /nfs/dbraw/zinc/98/98/05/583989805.db2.gz RZFTZMATTPFJJF-LBPRGKRZSA-N 0 0 220.312 3.664 20 0 BHADRN CC[C@@H](CC(=O)N1CCCCCCC1)C(C)C ZINC000729306728 583989751 /nfs/dbraw/zinc/98/97/51/583989751.db2.gz BFHHMLZEYLKMOB-AWEZNQCLSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@H](CC(=O)N1CCCCCCC1)C(C)C ZINC000729306729 583989748 /nfs/dbraw/zinc/98/97/48/583989748.db2.gz BFHHMLZEYLKMOB-CQSZACIVSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCCCNC(=O)C[C@@H](CC)C(C)C ZINC000729310944 583990012 /nfs/dbraw/zinc/99/00/12/583990012.db2.gz GLJAIYHGYUQWTR-CYBMUJFWSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCCNC(=O)C[C@H](CC)C(C)C ZINC000729310946 583989983 /nfs/dbraw/zinc/98/99/83/583989983.db2.gz GLJAIYHGYUQWTR-ZDUSSCGKSA-N 0 0 227.392 3.755 20 0 BHADRN CCC/C=C/C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000729314719 583990229 /nfs/dbraw/zinc/99/02/29/583990229.db2.gz RHMYSPPVOXHTLA-GMMCIKNFSA-N 0 0 245.366 3.871 20 0 BHADRN CCC/C=C\C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000729314720 583990240 /nfs/dbraw/zinc/99/02/40/583990240.db2.gz RHMYSPPVOXHTLA-VDBIKXPHSA-N 0 0 245.366 3.871 20 0 BHADRN CCC/C=C/C(=O)N(C)[C@H](C)c1ccccc1C ZINC000729314721 583990272 /nfs/dbraw/zinc/99/02/72/583990272.db2.gz RHMYSPPVOXHTLA-WEKMIXOTSA-N 0 0 245.366 3.871 20 0 BHADRN CCC/C=C\C(=O)N(C)[C@H](C)c1ccccc1C ZINC000729314722 583990233 /nfs/dbraw/zinc/99/02/33/583990233.db2.gz RHMYSPPVOXHTLA-YRBHFNIASA-N 0 0 245.366 3.871 20 0 BHADRN CCC/C=C\C(=O)NCC1CCC(CC)CC1 ZINC000729329773 711794804 /nfs/dbraw/zinc/79/48/04/711794804.db2.gz DCLZWCGFWMCZAN-SREVYHEPSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C=C/C(=O)NCC1CCC(CC)CC1 ZINC000729329774 711794779 /nfs/dbraw/zinc/79/47/79/711794779.db2.gz DCLZWCGFWMCZAN-VOTSOKGWSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C=C/C(=O)N(C1CC1)C1CCCCC1 ZINC000729338857 583992941 /nfs/dbraw/zinc/99/29/41/583992941.db2.gz ZRKGGAFTTLTGEQ-BJMVGYQFSA-N 0 0 235.371 3.666 20 0 BHADRN CCC/C=C\C(=O)N(C1CC1)C1CCCCC1 ZINC000729338858 583992764 /nfs/dbraw/zinc/99/27/64/583992764.db2.gz ZRKGGAFTTLTGEQ-YHYXMXQVSA-N 0 0 235.371 3.666 20 0 BHADRN CCC/C=C/C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000729346770 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CKRXDZOOXOWFRO-CQSZACIVSA-N 0 0 249.398 3.914 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCC[C@H]1C(C)(C)C ZINC000729401450 584004018 /nfs/dbraw/zinc/00/40/18/584004018.db2.gz QOABTTJDGKJFAG-HHQWOOOKSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000729401451 584003948 /nfs/dbraw/zinc/00/39/48/584003948.db2.gz QOABTTJDGKJFAG-XZHRJIJLSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000729401452 584004061 /nfs/dbraw/zinc/00/40/61/584004061.db2.gz QOABTTJDGKJFAG-YLGBQOPLSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCC[C@H]1C(C)(C)C ZINC000729401453 584004086 /nfs/dbraw/zinc/00/40/86/584004086.db2.gz QOABTTJDGKJFAG-YLSINNKHSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCCCC(=O)N1CCC[C@@H]1C(C)(C)C ZINC000729402186 584003869 /nfs/dbraw/zinc/00/38/69/584003869.db2.gz IRXDHLAXVMJXPO-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCCC(=O)N1CCC[C@H]1C(C)(C)C ZINC000729402187 584003935 /nfs/dbraw/zinc/00/39/35/584003935.db2.gz IRXDHLAXVMJXPO-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)(C)[C@H]1CCCN1C(=O)C=C1CCCC1 ZINC000729402700 584003910 /nfs/dbraw/zinc/00/39/10/584003910.db2.gz VSQVBHWDLHSXHE-CYBMUJFWSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)(C)[C@@H]1CCCN1C(=O)C=C1CCCC1 ZINC000729402701 584004006 /nfs/dbraw/zinc/00/40/06/584004006.db2.gz VSQVBHWDLHSXHE-ZDUSSCGKSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C=C(\C)C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000729424748 584013897 /nfs/dbraw/zinc/01/38/97/584013897.db2.gz TXXLSIYCDKTENQ-ALFJJAPYSA-N 0 0 243.350 3.568 20 0 BHADRN CC/C=C(/C)C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000729424751 584013748 /nfs/dbraw/zinc/01/37/48/584013748.db2.gz TXXLSIYCDKTENQ-BFTHVDOESA-N 0 0 243.350 3.568 20 0 BHADRN CC/C=C(/C)C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000729424752 584014069 /nfs/dbraw/zinc/01/40/69/584014069.db2.gz TXXLSIYCDKTENQ-BPLGCGBFSA-N 0 0 243.350 3.568 20 0 BHADRN CC/C=C(\C)C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000729424753 584014043 /nfs/dbraw/zinc/01/40/43/584014043.db2.gz TXXLSIYCDKTENQ-GKWYLQRDSA-N 0 0 243.350 3.568 20 0 BHADRN CCC(CC)CNC(=O)/C=C(\C)c1ccccc1 ZINC000729433303 584014252 /nfs/dbraw/zinc/01/42/52/584014252.db2.gz PTXYSRBSDUXJKI-ACCUITESSA-N 0 0 245.366 3.642 20 0 BHADRN CCC(CC)CNC(=O)/C=C(/C)c1ccccc1 ZINC000729433306 584014262 /nfs/dbraw/zinc/01/42/62/584014262.db2.gz PTXYSRBSDUXJKI-QBFSEMIESA-N 0 0 245.366 3.642 20 0 BHADRN CC[C@H](C)[C@H](C)N(C(=O)/C=C(\C)C1CC1)C1CC1 ZINC000729438092 584014281 /nfs/dbraw/zinc/01/42/81/584014281.db2.gz BAMDXQXBHYJJRQ-IPLAKBNRSA-N 0 0 249.398 3.768 20 0 BHADRN CC[C@H](C)[C@H](C)N(C(=O)/C=C(/C)C1CC1)C1CC1 ZINC000729438093 584014205 /nfs/dbraw/zinc/01/42/05/584014205.db2.gz BAMDXQXBHYJJRQ-UYVMEVJISA-N 0 0 249.398 3.768 20 0 BHADRN CC[C@H](C)[C@@H](C)N(C(=O)/C=C(/C)C1CC1)C1CC1 ZINC000729438095 584014448 /nfs/dbraw/zinc/01/44/48/584014448.db2.gz BAMDXQXBHYJJRQ-WEVJOFGFSA-N 0 0 249.398 3.768 20 0 BHADRN CC[C@H](C)[C@@H](C)N(C(=O)/C=C(\C)C1CC1)C1CC1 ZINC000729438096 584014298 /nfs/dbraw/zinc/01/42/98/584014298.db2.gz BAMDXQXBHYJJRQ-ZWRVYWDGSA-N 0 0 249.398 3.768 20 0 BHADRN CC[C@@H](C)[C@@H](C)N(C(=O)C=C1CCCC1)C1CC1 ZINC000729438167 584013995 /nfs/dbraw/zinc/01/39/95/584013995.db2.gz CZVKUPYLKUZQDG-CHWSQXEVSA-N 0 0 249.398 3.912 20 0 BHADRN CC[C@@H](C)[C@H](C)N(C(=O)C=C1CCCC1)C1CC1 ZINC000729438168 584013792 /nfs/dbraw/zinc/01/37/92/584013792.db2.gz CZVKUPYLKUZQDG-OLZOCXBDSA-N 0 0 249.398 3.912 20 0 BHADRN CC[C@H](C)[C@@H](C)N(C(=O)C=C1CCCC1)C1CC1 ZINC000729438170 584014084 /nfs/dbraw/zinc/01/40/84/584014084.db2.gz CZVKUPYLKUZQDG-QWHCGFSZSA-N 0 0 249.398 3.912 20 0 BHADRN CC[C@H](C)[C@H](C)N(C(=O)C=C1CCCC1)C1CC1 ZINC000729438172 584013705 /nfs/dbraw/zinc/01/37/05/584013705.db2.gz CZVKUPYLKUZQDG-STQMWFEESA-N 0 0 249.398 3.912 20 0 BHADRN CC/C=C(\C)C(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000729439038 584014190 /nfs/dbraw/zinc/01/41/90/584014190.db2.gz MJHHWRFLUVTPDD-HIZVYSOWSA-N 0 0 237.387 3.768 20 0 BHADRN CC/C=C(/C)C(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000729439039 584014224 /nfs/dbraw/zinc/01/42/24/584014224.db2.gz MJHHWRFLUVTPDD-KCWVNHISSA-N 0 0 237.387 3.768 20 0 BHADRN CC/C=C(\C)C(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000729439332 584014408 /nfs/dbraw/zinc/01/44/08/584014408.db2.gz MJHHWRFLUVTPDD-NUBPSFNZSA-N 0 0 237.387 3.768 20 0 BHADRN CC/C=C(/C)C(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000729439334 584014234 /nfs/dbraw/zinc/01/42/34/584014234.db2.gz MJHHWRFLUVTPDD-PPHUXIPZSA-N 0 0 237.387 3.768 20 0 BHADRN C/C=C/C=C\C(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000729441445 584014823 /nfs/dbraw/zinc/01/48/23/584014823.db2.gz JEBOHTUKAXUHJU-CEBKQCASSA-N 0 0 235.371 3.544 20 0 BHADRN C/C=C/C=C/C(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000729441447 584014651 /nfs/dbraw/zinc/01/46/51/584014651.db2.gz JEBOHTUKAXUHJU-MWBBVWBASA-N 0 0 235.371 3.544 20 0 BHADRN C/C=C/C=C\C(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000729441449 584014616 /nfs/dbraw/zinc/01/46/16/584014616.db2.gz JEBOHTUKAXUHJU-SGWUOOSKSA-N 0 0 235.371 3.544 20 0 BHADRN C/C=C/C=C/C(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000729441450 584014844 /nfs/dbraw/zinc/01/48/44/584014844.db2.gz JEBOHTUKAXUHJU-YKSNZYHQSA-N 0 0 235.371 3.544 20 0 BHADRN CCC/C=C/C(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000729442070 584014646 /nfs/dbraw/zinc/01/46/46/584014646.db2.gz KQACBIYODGATFE-AYSSICMYSA-N 0 0 237.387 3.768 20 0 BHADRN CCC/C=C\C(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000729442074 584014643 /nfs/dbraw/zinc/01/46/43/584014643.db2.gz KQACBIYODGATFE-GFUJYOBASA-N 0 0 237.387 3.768 20 0 BHADRN CCC/C=C/C(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000729442075 584014701 /nfs/dbraw/zinc/01/47/01/584014701.db2.gz KQACBIYODGATFE-RYYBZQDPSA-N 0 0 237.387 3.768 20 0 BHADRN CCC/C=C\C(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000729442076 584014815 /nfs/dbraw/zinc/01/48/15/584014815.db2.gz KQACBIYODGATFE-WACGGTQYSA-N 0 0 237.387 3.768 20 0 BHADRN CCCCCCC(=O)Nc1nc(CC)cs1 ZINC000729461971 584015070 /nfs/dbraw/zinc/01/50/70/584015070.db2.gz WDNIVVQDXABWBA-UHFFFAOYSA-N 0 0 240.372 3.614 20 0 BHADRN CCC(CC)CNc1cccc(F)c1C(C)=O ZINC000729470030 584015037 /nfs/dbraw/zinc/01/50/37/584015037.db2.gz KRJUZQKGHWZPPR-UHFFFAOYSA-N 0 0 237.318 3.876 20 0 BHADRN Cc1cccc2c1CC[C@H]2Nc1cccc(F)n1 ZINC000729470782 584015082 /nfs/dbraw/zinc/01/50/82/584015082.db2.gz RGHWZOLABDKLEZ-CYBMUJFWSA-N 0 0 242.297 3.629 20 0 BHADRN Cc1cccc2c1CC[C@@H]2Nc1cccc(F)n1 ZINC000729470786 584015020 /nfs/dbraw/zinc/01/50/20/584015020.db2.gz RGHWZOLABDKLEZ-ZDUSSCGKSA-N 0 0 242.297 3.629 20 0 BHADRN CC[C@H](CC(=O)Oc1ccccc1C)C(C)C ZINC000729649988 584021343 /nfs/dbraw/zinc/02/13/43/584021343.db2.gz IISJMTQPBFVPOM-CYBMUJFWSA-N 0 0 234.339 3.973 20 0 BHADRN CC[C@@H](CC(=O)Oc1ccccc1C)C(C)C ZINC000729649990 584021512 /nfs/dbraw/zinc/02/15/12/584021512.db2.gz IISJMTQPBFVPOM-ZDUSSCGKSA-N 0 0 234.339 3.973 20 0 BHADRN CC[C@H](CC(=O)OC1CCCC1)C(C)C ZINC000729650517 584021452 /nfs/dbraw/zinc/02/14/52/584021452.db2.gz QSJNGXTZOMXOSB-LLVKDONJSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H](CC(=O)OC1CCCC1)C(C)C ZINC000729650518 584021472 /nfs/dbraw/zinc/02/14/72/584021472.db2.gz QSJNGXTZOMXOSB-NSHDSACASA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H](CC(=O)Oc1cccc(C)c1)C(C)C ZINC000729650605 584021479 /nfs/dbraw/zinc/02/14/79/584021479.db2.gz VJGMSONVCVOSEK-CYBMUJFWSA-N 0 0 234.339 3.973 20 0 BHADRN CC[C@@H](CC(=O)Oc1cccc(C)c1)C(C)C ZINC000729650606 584021409 /nfs/dbraw/zinc/02/14/09/584021409.db2.gz VJGMSONVCVOSEK-ZDUSSCGKSA-N 0 0 234.339 3.973 20 0 BHADRN CC[C@@H](CC(=O)OCc1ccccc1)C(C)C ZINC000729650803 584021503 /nfs/dbraw/zinc/02/15/03/584021503.db2.gz YQQFOTSCXRHXFG-AWEZNQCLSA-N 0 0 234.339 3.802 20 0 BHADRN CC[C@H](CC(=O)OCc1ccccc1)C(C)C ZINC000729650804 584021462 /nfs/dbraw/zinc/02/14/62/584021462.db2.gz YQQFOTSCXRHXFG-CQSZACIVSA-N 0 0 234.339 3.802 20 0 BHADRN CCC(=O)Oc1ccc(OC2CCCCC2)cc1 ZINC000729657950 584021526 /nfs/dbraw/zinc/02/15/26/584021526.db2.gz QZURXZCALVXSSS-UHFFFAOYSA-N 0 0 248.322 3.714 20 0 BHADRN C/C=C\C(=O)NC(C)(C)c1ccc(C(C)C)cc1 ZINC000729660187 584021326 /nfs/dbraw/zinc/02/13/26/584021326.db2.gz RJZQTVSETVCEKU-SREVYHEPSA-N 0 0 245.366 3.737 20 0 BHADRN C/C=C/C(=O)NC(C)(C)c1ccc(C(C)C)cc1 ZINC000729660188 584021433 /nfs/dbraw/zinc/02/14/33/584021433.db2.gz RJZQTVSETVCEKU-VOTSOKGWSA-N 0 0 245.366 3.737 20 0 BHADRN O=C(OC/C=C\Cl)c1cccc(C(F)F)c1 ZINC000729746552 584024087 /nfs/dbraw/zinc/02/40/87/584024087.db2.gz SMGFEEJJWIJWRJ-DJWKRKHSSA-N 0 0 246.640 3.534 20 0 BHADRN O=C(OC/C=C/Cl)c1cccc(C(F)F)c1 ZINC000729746554 584024310 /nfs/dbraw/zinc/02/43/10/584024310.db2.gz SMGFEEJJWIJWRJ-GORDUTHDSA-N 0 0 246.640 3.534 20 0 BHADRN CC[C@H](CC(=O)OCCC(F)(F)F)C(C)C ZINC000729761243 584024794 /nfs/dbraw/zinc/02/47/94/584024794.db2.gz JQMMDPQGSUSFKC-SECBINFHSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@@H](CC(=O)OCCC(F)(F)F)C(C)C ZINC000729761244 584024487 /nfs/dbraw/zinc/02/44/87/584024487.db2.gz JQMMDPQGSUSFKC-VIFPVBQESA-N 0 0 240.265 3.554 20 0 BHADRN CCCC(=O)O[C@@H](Cc1ccccc1)C(C)(C)C ZINC000729798045 584026373 /nfs/dbraw/zinc/02/63/73/584026373.db2.gz KDGILCDQIRGADK-AWEZNQCLSA-N 0 0 248.366 3.987 20 0 BHADRN CCCC(=O)O[C@H](Cc1ccccc1)C(C)(C)C ZINC000729798047 584026031 /nfs/dbraw/zinc/02/60/31/584026031.db2.gz KDGILCDQIRGADK-CQSZACIVSA-N 0 0 248.366 3.987 20 0 BHADRN CC(C)C(=O)O[C@@H](Cc1ccccc1)C(C)(C)C ZINC000729799050 584026396 /nfs/dbraw/zinc/02/63/96/584026396.db2.gz VWEZGJSJFUAZKO-AWEZNQCLSA-N 0 0 248.366 3.843 20 0 BHADRN CC(C)C(=O)O[C@H](Cc1ccccc1)C(C)(C)C ZINC000729799051 584026276 /nfs/dbraw/zinc/02/62/76/584026276.db2.gz VWEZGJSJFUAZKO-CQSZACIVSA-N 0 0 248.366 3.843 20 0 BHADRN CC(C)=CC(=O)N(c1ccccc1C)C(C)C ZINC000729831941 584027058 /nfs/dbraw/zinc/02/70/58/584027058.db2.gz KWMXKJAHLLBHSY-UHFFFAOYSA-N 0 0 231.339 3.703 20 0 BHADRN C/C=C/C=C\C(=O)N(c1ccccc1C)C(C)C ZINC000729832311 584026976 /nfs/dbraw/zinc/02/69/76/584026976.db2.gz WTGAZOKQGXZULE-DFTQQVSXSA-N 0 0 243.350 3.869 20 0 BHADRN C/C=C/C=C/C(=O)N(c1ccccc1C)C(C)C ZINC000729832312 584026772 /nfs/dbraw/zinc/02/67/72/584026772.db2.gz WTGAZOKQGXZULE-DVIJZSFDSA-N 0 0 243.350 3.869 20 0 BHADRN CCCC(N)=NOCc1cccc2ccccc21 ZINC000729849629 584026870 /nfs/dbraw/zinc/02/68/70/584026870.db2.gz LMULYRUSFHDXLE-UHFFFAOYSA-N 0 0 242.322 3.638 20 0 BHADRN CCCC(N)=NOCc1ccc(C(C)(C)C)cc1 ZINC000729850422 584026648 /nfs/dbraw/zinc/02/66/48/584026648.db2.gz YFLIPHJYIHHRBX-UHFFFAOYSA-N 0 0 248.370 3.783 20 0 BHADRN CC/C=C\COC(=O)c1sccc1C1CC1 ZINC000729888679 584027789 /nfs/dbraw/zinc/02/77/89/584027789.db2.gz DIJDBNMQWWRDEU-ARJAWSKDSA-N 0 0 236.336 3.749 20 0 BHADRN CC/C=C/COC(=O)c1sccc1C1CC1 ZINC000729888681 584028098 /nfs/dbraw/zinc/02/80/98/584028098.db2.gz DIJDBNMQWWRDEU-ONEGZZNKSA-N 0 0 236.336 3.749 20 0 BHADRN CC/C=C(\C)C(=O)Oc1ccccc1CC ZINC000729889159 584028225 /nfs/dbraw/zinc/02/82/25/584028225.db2.gz DBQZIWZIQYCWNO-DHZHZOJOSA-N 0 0 218.296 3.511 20 0 BHADRN CC/C=C(/C)C(=O)Oc1ccccc1CC ZINC000729889169 584028076 /nfs/dbraw/zinc/02/80/76/584028076.db2.gz DBQZIWZIQYCWNO-FLIBITNWSA-N 0 0 218.296 3.511 20 0 BHADRN CC/C=C/COC(=O)C[C@@H](CC)C(C)C ZINC000729889765 584028167 /nfs/dbraw/zinc/02/81/67/584028167.db2.gz 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20 0 BHADRN CCC/C(C)=C/C(=O)N[C@H](C)c1ccccc1 ZINC000730498301 641674803 /nfs/dbraw/zinc/67/48/03/641674803.db2.gz WKTLZMQLNHKOIE-XZHRJIJLSA-N 0 0 231.339 3.610 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@H](C)c1ccccc1 ZINC000730498304 641673455 /nfs/dbraw/zinc/67/34/55/641673455.db2.gz WKTLZMQLNHKOIE-YLGBQOPLSA-N 0 0 231.339 3.610 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H](C)c1ccccc1 ZINC000730498306 641675147 /nfs/dbraw/zinc/67/51/47/641675147.db2.gz WKTLZMQLNHKOIE-YLSINNKHSA-N 0 0 231.339 3.610 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000730502246 584911784 /nfs/dbraw/zinc/91/17/84/584911784.db2.gz OLBCQCLGLWCASP-GUNGLEHYSA-N 0 0 245.366 3.837 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000730502247 584911803 /nfs/dbraw/zinc/91/18/03/584911803.db2.gz OLBCQCLGLWCASP-LVOZBFFPSA-N 0 0 245.366 3.837 20 0 BHADRN CC/C=C(/C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000730502248 584911870 /nfs/dbraw/zinc/91/18/70/584911870.db2.gz OLBCQCLGLWCASP-SVSAJMPUSA-N 0 0 245.366 3.837 20 0 BHADRN CC/C=C(\C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000730502249 584911725 /nfs/dbraw/zinc/91/17/25/584911725.db2.gz OLBCQCLGLWCASP-WTWVRAIASA-N 0 0 245.366 3.837 20 0 BHADRN C/C=C\C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000730506692 584911856 /nfs/dbraw/zinc/91/18/56/584911856.db2.gz MEMPIXAZDCOKDS-NWPZZWLHSA-N 0 0 245.347 3.655 20 0 BHADRN C/C=C/C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000730506693 584911857 /nfs/dbraw/zinc/91/18/57/584911857.db2.gz MEMPIXAZDCOKDS-QLCVYAKKSA-N 0 0 245.347 3.655 20 0 BHADRN C/C=C\C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000730506694 584911836 /nfs/dbraw/zinc/91/18/36/584911836.db2.gz MEMPIXAZDCOKDS-XICOKMJESA-N 0 0 245.347 3.655 20 0 BHADRN C/C=C/C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000730506695 584911739 /nfs/dbraw/zinc/91/17/39/584911739.db2.gz MEMPIXAZDCOKDS-YVGDHZEHSA-N 0 0 245.347 3.655 20 0 BHADRN CCCCCCNC(=O)N[C@H](C)c1ccccc1 ZINC000730579248 584912878 /nfs/dbraw/zinc/91/28/78/584912878.db2.gz DAEWDWCDMHMLKI-CYBMUJFWSA-N 0 0 248.370 3.627 20 0 BHADRN CCCCCCNC(=O)N[C@@H](C)c1ccccc1 ZINC000730579249 584912885 /nfs/dbraw/zinc/91/28/85/584912885.db2.gz DAEWDWCDMHMLKI-ZDUSSCGKSA-N 0 0 248.370 3.627 20 0 BHADRN CSc1ccsc1C(=O)OCCC(C)C ZINC000730638005 584913138 /nfs/dbraw/zinc/91/31/38/584913138.db2.gz KDIOKLDBYXOJEX-UHFFFAOYSA-N 0 0 244.381 3.673 20 0 BHADRN CCCCCOC(=O)c1sccc1SC ZINC000730640252 584913205 /nfs/dbraw/zinc/91/32/05/584913205.db2.gz OPTSONGSLFDGQM-UHFFFAOYSA-N 0 0 244.381 3.817 20 0 BHADRN CN(C/C=C\Cl)Cc1ccc(F)cc1Cl ZINC000730663197 584913389 /nfs/dbraw/zinc/91/33/89/584913389.db2.gz BWOFQCMLXCKLIW-DJWKRKHSSA-N 0 0 248.128 3.663 20 0 BHADRN CN(C/C=C/Cl)Cc1ccc(F)cc1Cl ZINC000730663198 584913498 /nfs/dbraw/zinc/91/34/98/584913498.db2.gz BWOFQCMLXCKLIW-GORDUTHDSA-N 0 0 248.128 3.663 20 0 BHADRN CC/C=C\COC(=O)c1sccc1SC ZINC000730690402 584913896 /nfs/dbraw/zinc/91/38/96/584913896.db2.gz HNOYZADEEFZNFT-PLNGDYQASA-N 0 0 242.365 3.593 20 0 BHADRN CC/C=C/COC(=O)c1sccc1SC ZINC000730690403 584913870 /nfs/dbraw/zinc/91/38/70/584913870.db2.gz HNOYZADEEFZNFT-SNAWJCMRSA-N 0 0 242.365 3.593 20 0 BHADRN CSc1ccsc1C(=O)OCC(C)(C)C ZINC000730693710 584913997 /nfs/dbraw/zinc/91/39/97/584913997.db2.gz RKJGRFMOJVFVET-UHFFFAOYSA-N 0 0 244.381 3.673 20 0 BHADRN CC[C@](C)(NC(=O)CCC(C)C)c1ccccc1 ZINC000730760297 584915129 /nfs/dbraw/zinc/91/51/29/584915129.db2.gz AWQXGVHGRDBHFR-INIZCTEOSA-N 0 0 247.382 3.864 20 0 BHADRN CC[C@@](C)(NC(=O)CCC(C)C)c1ccccc1 ZINC000730760298 584915164 /nfs/dbraw/zinc/91/51/64/584915164.db2.gz AWQXGVHGRDBHFR-MRXNPFEDSA-N 0 0 247.382 3.864 20 0 BHADRN CC[C@](C)(NC(=O)CC(C)(C)C)c1ccccc1 ZINC000730761248 584915254 /nfs/dbraw/zinc/91/52/54/584915254.db2.gz RBVVTASGOVQBNL-INIZCTEOSA-N 0 0 247.382 3.864 20 0 BHADRN CC[C@@](C)(NC(=O)CC(C)(C)C)c1ccccc1 ZINC000730761250 584915430 /nfs/dbraw/zinc/91/54/30/584915430.db2.gz RBVVTASGOVQBNL-MRXNPFEDSA-N 0 0 247.382 3.864 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@](C)(CC)c1ccccc1 ZINC000730763439 584915302 /nfs/dbraw/zinc/91/53/02/584915302.db2.gz BCEZSQRPQUJNMS-GFIVNBMASA-N 0 0 243.350 3.560 20 0 BHADRN C/C=C/C=C\C(=O)N[C@](C)(CC)c1ccccc1 ZINC000730763440 584915306 /nfs/dbraw/zinc/91/53/06/584915306.db2.gz BCEZSQRPQUJNMS-VKYMQKSHSA-N 0 0 243.350 3.560 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@](C)(CC)c1ccccc1 ZINC000730764480 584915328 /nfs/dbraw/zinc/91/53/28/584915328.db2.gz LBRBXKUMTUXHGA-ISBHARSQSA-N 0 0 245.366 3.784 20 0 BHADRN CC/C=C(\C)C(=O)N[C@](C)(CC)c1ccccc1 ZINC000730764482 584915273 /nfs/dbraw/zinc/91/52/73/584915273.db2.gz LBRBXKUMTUXHGA-QSOAKEGCSA-N 0 0 245.366 3.784 20 0 BHADRN CCC/C=C\C(=O)N[C@](C)(CC)c1ccccc1 ZINC000730791324 584915991 /nfs/dbraw/zinc/91/59/91/584915991.db2.gz UGRMHIVGLOQKRL-LPDYGMJQSA-N 0 0 245.366 3.784 20 0 BHADRN CCC/C=C/C(=O)N[C@@](C)(CC)c1ccccc1 ZINC000730791326 584916050 /nfs/dbraw/zinc/91/60/50/584916050.db2.gz UGRMHIVGLOQKRL-OIQJVACTSA-N 0 0 245.366 3.784 20 0 BHADRN CCC/C=C\C(=O)N[C@@](C)(CC)c1ccccc1 ZINC000730791328 584915965 /nfs/dbraw/zinc/91/59/65/584915965.db2.gz UGRMHIVGLOQKRL-RQPMMQJISA-N 0 0 245.366 3.784 20 0 BHADRN CCC/C=C/C(=O)N[C@](C)(CC)c1ccccc1 ZINC000730791330 584916040 /nfs/dbraw/zinc/91/60/40/584916040.db2.gz UGRMHIVGLOQKRL-WDBUWWRISA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccc(N=C2N=NC(C(C)C)CS2)cc1 ZINC000730815253 641750437 /nfs/dbraw/zinc/75/04/37/641750437.db2.gz HEQDDXUROVJMMM-UHFFFAOYSA-N 0 0 247.367 3.522 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)C1=COCCC1 ZINC000730850920 584918324 /nfs/dbraw/zinc/91/83/24/584918324.db2.gz OBILFINKESQLEV-CYBMUJFWSA-N 0 0 240.343 3.583 20 0 BHADRN CCCC[C@H](CCC)OC(=O)C1=COCCC1 ZINC000730850921 584918188 /nfs/dbraw/zinc/91/81/88/584918188.db2.gz OBILFINKESQLEV-ZDUSSCGKSA-N 0 0 240.343 3.583 20 0 BHADRN O=C(OCC1CCCC1)c1ccc2[nH]ccc2c1 ZINC000730855543 584918732 /nfs/dbraw/zinc/91/87/32/584918732.db2.gz MTEMUTMMXNWUMD-UHFFFAOYSA-N 0 0 243.306 3.515 20 0 BHADRN CC(C)(C)CCOC(=O)c1ccc2[nH]ccc2c1 ZINC000730856447 641761594 /nfs/dbraw/zinc/76/15/94/641761594.db2.gz WYWUDYXXLOQNIX-UHFFFAOYSA-N 0 0 245.322 3.761 20 0 BHADRN CCC(C)(C)C(=O)OC[C@H]1CCc2ccccc21 ZINC000730925030 711866187 /nfs/dbraw/zinc/86/61/87/711866187.db2.gz DUWLDVJCFUQDAV-CYBMUJFWSA-N 0 0 246.350 3.696 20 0 BHADRN CCC(C)(C)C(=O)OC[C@@H]1CCc2ccccc21 ZINC000730925031 711866192 /nfs/dbraw/zinc/86/61/92/711866192.db2.gz DUWLDVJCFUQDAV-ZDUSSCGKSA-N 0 0 246.350 3.696 20 0 BHADRN CC/C=C(\C)C(=O)OC[C@@H]1CCc2ccccc21 ZINC000730925613 584920173 /nfs/dbraw/zinc/92/01/73/584920173.db2.gz CEUSFBCOSPRFPN-CYIWUNGXSA-N 0 0 244.334 3.616 20 0 BHADRN CC/C=C(/C)C(=O)OC[C@H]1CCc2ccccc21 ZINC000730925615 584920076 /nfs/dbraw/zinc/92/00/76/584920076.db2.gz CEUSFBCOSPRFPN-NFEOESJKSA-N 0 0 244.334 3.616 20 0 BHADRN CC/C=C(\C)C(=O)OC[C@H]1CCc2ccccc21 ZINC000730925617 584920136 /nfs/dbraw/zinc/92/01/36/584920136.db2.gz CEUSFBCOSPRFPN-TZWLIRKLSA-N 0 0 244.334 3.616 20 0 BHADRN CC/C=C(/C)C(=O)OC[C@@H]1CCc2ccccc21 ZINC000730925618 584920119 /nfs/dbraw/zinc/92/01/19/584920119.db2.gz CEUSFBCOSPRFPN-ZDWRTJATSA-N 0 0 244.334 3.616 20 0 BHADRN CCC(CC)C(=O)OC[C@@H]1CCc2ccccc21 ZINC000730925790 584920186 /nfs/dbraw/zinc/92/01/86/584920186.db2.gz LCLLTQKGBUGMTN-AWEZNQCLSA-N 0 0 246.350 3.696 20 0 BHADRN CCC(CC)C(=O)OC[C@H]1CCc2ccccc21 ZINC000730925792 584920189 /nfs/dbraw/zinc/92/01/89/584920189.db2.gz LCLLTQKGBUGMTN-CQSZACIVSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)(C)CC(=O)OC[C@H]1CCc2ccccc21 ZINC000730926929 584920117 /nfs/dbraw/zinc/92/01/17/584920117.db2.gz PKWBNNQDUBBYAH-CYBMUJFWSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)(C)CC(=O)OC[C@@H]1CCc2ccccc21 ZINC000730926930 584920264 /nfs/dbraw/zinc/92/02/64/584920264.db2.gz PKWBNNQDUBBYAH-ZDUSSCGKSA-N 0 0 246.350 3.696 20 0 BHADRN CCCCCC(=O)OC[C@@H]1CCc2ccccc21 ZINC000730927233 584920223 /nfs/dbraw/zinc/92/02/23/584920223.db2.gz DVNJIMLKHLFJFP-AWEZNQCLSA-N 0 0 246.350 3.840 20 0 BHADRN CCCCCC(=O)OC[C@H]1CCc2ccccc21 ZINC000730927234 584920148 /nfs/dbraw/zinc/92/01/48/584920148.db2.gz DVNJIMLKHLFJFP-CQSZACIVSA-N 0 0 246.350 3.840 20 0 BHADRN CC(C)CCC(=O)OC[C@@H]1CCc2ccccc21 ZINC000730929466 584920165 /nfs/dbraw/zinc/92/01/65/584920165.db2.gz XJBQHGQSRYQLDO-AWEZNQCLSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)CCC(=O)OC[C@H]1CCc2ccccc21 ZINC000730929467 584920209 /nfs/dbraw/zinc/92/02/09/584920209.db2.gz XJBQHGQSRYQLDO-CQSZACIVSA-N 0 0 246.350 3.696 20 0 BHADRN CC/C=C(/C)C(=O)Oc1cccc(OC(C)C)c1 ZINC000730929470 584920210 /nfs/dbraw/zinc/92/02/10/584920210.db2.gz XMBJIRUDHQZMFX-GHXNOFRVSA-N 0 0 248.322 3.736 20 0 BHADRN CC/C=C(\C)C(=O)Oc1cccc(OC(C)C)c1 ZINC000730929471 584920258 /nfs/dbraw/zinc/92/02/58/584920258.db2.gz XMBJIRUDHQZMFX-KPKJPENVSA-N 0 0 248.322 3.736 20 0 BHADRN CCCCC(=O)Oc1cccc(OC(C)C)c1 ZINC000730930266 584919820 /nfs/dbraw/zinc/91/98/20/584919820.db2.gz BJHMHIWLWCYAOM-UHFFFAOYSA-N 0 0 236.311 3.569 20 0 BHADRN CC(C)Oc1cccc(OC(=O)C2CCCC2)c1 ZINC000730930473 584919890 /nfs/dbraw/zinc/91/98/90/584919890.db2.gz KMIMEPUFSFKUHK-UHFFFAOYSA-N 0 0 248.322 3.569 20 0 BHADRN O=[S@@](Cc1ccc(Cl)s1)C1CCCC1 ZINC000730940077 584920342 /nfs/dbraw/zinc/92/03/42/584920342.db2.gz IEAUGUPHDOESEA-AWEZNQCLSA-N 0 0 248.800 3.593 20 0 BHADRN O=[S@](Cc1ccc(Cl)s1)C1CCCC1 ZINC000730940078 584920290 /nfs/dbraw/zinc/92/02/90/584920290.db2.gz IEAUGUPHDOESEA-CQSZACIVSA-N 0 0 248.800 3.593 20 0 BHADRN C[C@H]1CC[C@H](NC(=O)C=C2CCCCC2)CC1 ZINC000730985014 584920629 /nfs/dbraw/zinc/92/06/29/584920629.db2.gz MGHFWJPICRWPOY-MQMHXKEQSA-N 0 0 235.371 3.572 20 0 BHADRN CCCCCCC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000730986247 584920632 /nfs/dbraw/zinc/92/06/32/584920632.db2.gz ZGIKWPXRADMVJP-JOCQHMNTSA-N 0 0 225.376 3.652 20 0 BHADRN C/C=C\CSCCOc1ccccc1C ZINC000731040079 584921538 /nfs/dbraw/zinc/92/15/38/584921538.db2.gz IWGYADYRNFWPBD-ARJAWSKDSA-N 0 0 222.353 3.683 20 0 BHADRN C/C=C/CSCCOc1ccccc1C ZINC000731040081 584921416 /nfs/dbraw/zinc/92/14/16/584921416.db2.gz IWGYADYRNFWPBD-ONEGZZNKSA-N 0 0 222.353 3.683 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)c1cccnc1C ZINC000731095531 584921945 /nfs/dbraw/zinc/92/19/45/584921945.db2.gz SGSBWRYSGGRYPQ-CYBMUJFWSA-N 0 0 249.354 3.906 20 0 BHADRN CCCC[C@H](CCC)OC(=O)c1cccnc1C ZINC000731095532 584921900 /nfs/dbraw/zinc/92/19/00/584921900.db2.gz SGSBWRYSGGRYPQ-ZDUSSCGKSA-N 0 0 249.354 3.906 20 0 BHADRN C/C=C/COC(=O)C[C@H]1CCCc2ccccc21 ZINC000731097006 584922094 /nfs/dbraw/zinc/92/20/94/584922094.db2.gz QOIFRZFFWKBNBY-BAABZTOOSA-N 0 0 244.334 3.616 20 0 BHADRN C/C=C/COC(=O)C[C@@H]1CCCc2ccccc21 ZINC000731097008 584922154 /nfs/dbraw/zinc/92/21/54/584922154.db2.gz QOIFRZFFWKBNBY-HSWBROFVSA-N 0 0 244.334 3.616 20 0 BHADRN C/C=C\COC(=O)C[C@H]1CCCc2ccccc21 ZINC000731097009 584922043 /nfs/dbraw/zinc/92/20/43/584922043.db2.gz QOIFRZFFWKBNBY-PYLYLYNFSA-N 0 0 244.334 3.616 20 0 BHADRN C/C=C\COC(=O)C[C@@H]1CCCc2ccccc21 ZINC000731097011 584922201 /nfs/dbraw/zinc/92/22/01/584922201.db2.gz QOIFRZFFWKBNBY-SFAKSCPVSA-N 0 0 244.334 3.616 20 0 BHADRN CC(C)COC(=O)C[C@@H]1CCCc2ccccc21 ZINC000731097562 584922099 /nfs/dbraw/zinc/92/20/99/584922099.db2.gz JQCLMECGDSIBCP-AWEZNQCLSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)COC(=O)C[C@H]1CCCc2ccccc21 ZINC000731097566 584922200 /nfs/dbraw/zinc/92/22/00/584922200.db2.gz JQCLMECGDSIBCP-CQSZACIVSA-N 0 0 246.350 3.696 20 0 BHADRN CCCCOC(=O)C[C@@H]1CCCc2ccccc21 ZINC000731099999 584922031 /nfs/dbraw/zinc/92/20/31/584922031.db2.gz VPAHIDALZDOSDH-AWEZNQCLSA-N 0 0 246.350 3.840 20 0 BHADRN CCCCOC(=O)C[C@H]1CCCc2ccccc21 ZINC000731100000 584922144 /nfs/dbraw/zinc/92/21/44/584922144.db2.gz VPAHIDALZDOSDH-CQSZACIVSA-N 0 0 246.350 3.840 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H]1CCCc2ccccc21 ZINC000731137478 584922606 /nfs/dbraw/zinc/92/26/06/584922606.db2.gz IZUGTFSJDRUHTQ-GXTWGEPZSA-N 0 0 246.350 3.838 20 0 BHADRN CC[C@H](C)OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000731137479 584922498 /nfs/dbraw/zinc/92/24/98/584922498.db2.gz IZUGTFSJDRUHTQ-JSGCOSHPSA-N 0 0 246.350 3.838 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000731137481 584922526 /nfs/dbraw/zinc/92/25/26/584922526.db2.gz IZUGTFSJDRUHTQ-OCCSQVGLSA-N 0 0 246.350 3.838 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@H]1CCCc2ccccc21 ZINC000731137483 584922648 /nfs/dbraw/zinc/92/26/48/584922648.db2.gz IZUGTFSJDRUHTQ-TZMCWYRMSA-N 0 0 246.350 3.838 20 0 BHADRN Cc1cc(C)c(CNC(=O)OC(C)(C)C)c(C)c1 ZINC000731148534 711866826 /nfs/dbraw/zinc/86/68/26/711866826.db2.gz BADWTAWLSKTONP-UHFFFAOYSA-N 0 0 249.354 3.637 20 0 BHADRN CC(C)(C)OC(=O)N(C1CC1)C1CCCCC1 ZINC000731148933 641782194 /nfs/dbraw/zinc/78/21/94/641782194.db2.gz ZZWDBTXMVYSZBL-UHFFFAOYSA-N 0 0 239.359 3.719 20 0 BHADRN Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1C ZINC000731149516 641781194 /nfs/dbraw/zinc/78/11/94/641781194.db2.gz LCMSQMOHCWAOBR-UHFFFAOYSA-N 0 0 235.327 3.675 20 0 BHADRN CCC(CC)N(C(=O)OC(C)(C)C)C1CC1 ZINC000731149550 641781497 /nfs/dbraw/zinc/78/14/97/641781497.db2.gz PDYBENRASVIOKN-UHFFFAOYSA-N 0 0 227.348 3.575 20 0 BHADRN Cc1ccccc1[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000731149608 641781375 /nfs/dbraw/zinc/78/13/75/641781375.db2.gz XUWMVGTVGTVIOT-LBPRGKRZSA-N 0 0 249.354 3.923 20 0 BHADRN CCCC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000731149656 641782088 /nfs/dbraw/zinc/78/20/88/641782088.db2.gz CKCWQQRZGIQFJG-NEPJUHHUSA-N 0 0 241.375 3.870 20 0 BHADRN CCCC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000731149657 641780904 /nfs/dbraw/zinc/78/09/04/641780904.db2.gz CKCWQQRZGIQFJG-NWDGAFQWSA-N 0 0 241.375 3.870 20 0 BHADRN CCCC[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000731149658 641782108 /nfs/dbraw/zinc/78/21/08/641782108.db2.gz CKCWQQRZGIQFJG-RYUDHWBXSA-N 0 0 241.375 3.870 20 0 BHADRN CCCC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000731149659 641781484 /nfs/dbraw/zinc/78/14/84/641781484.db2.gz CKCWQQRZGIQFJG-VXGBXAGGSA-N 0 0 241.375 3.870 20 0 BHADRN CC[C@@H](C)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000731149677 641781920 /nfs/dbraw/zinc/78/19/20/641781920.db2.gz FABGPCKBHWAVGD-GHMZBOCLSA-N 0 0 241.375 3.821 20 0 BHADRN CC[C@@H](C)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000731149678 641781459 /nfs/dbraw/zinc/78/14/59/641781459.db2.gz FABGPCKBHWAVGD-MNOVXSKESA-N 0 0 241.375 3.821 20 0 BHADRN CC[C@H](C)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000731149679 641782241 /nfs/dbraw/zinc/78/22/41/641782241.db2.gz FABGPCKBHWAVGD-QWRGUYRKSA-N 0 0 241.375 3.821 20 0 BHADRN CC[C@H](C)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000731149680 641782037 /nfs/dbraw/zinc/78/20/37/641782037.db2.gz FABGPCKBHWAVGD-WDEREUQCSA-N 0 0 241.375 3.821 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)OC(C)(C)C ZINC000731149716 641781296 /nfs/dbraw/zinc/78/12/96/641781296.db2.gz IEZXNRUFZORKFL-UHFFFAOYSA-N 0 0 243.391 3.972 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000731149761 641781292 /nfs/dbraw/zinc/78/12/92/641781292.db2.gz NOVVRJZOEVDQBJ-GFCCVEGCSA-N 0 0 249.354 3.889 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000731149762 641780804 /nfs/dbraw/zinc/78/08/04/641780804.db2.gz NOVVRJZOEVDQBJ-LBPRGKRZSA-N 0 0 249.354 3.889 20 0 BHADRN CC(C)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000731149764 641781680 /nfs/dbraw/zinc/78/16/80/641781680.db2.gz NWNFCTGTTUBQOY-NEPJUHHUSA-N 0 0 241.375 3.726 20 0 BHADRN CC(C)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000731149765 641781222 /nfs/dbraw/zinc/78/12/22/641781222.db2.gz NWNFCTGTTUBQOY-NWDGAFQWSA-N 0 0 241.375 3.726 20 0 BHADRN CC(C)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000731149766 641781532 /nfs/dbraw/zinc/78/15/32/641781532.db2.gz NWNFCTGTTUBQOY-RYUDHWBXSA-N 0 0 241.375 3.726 20 0 BHADRN CC(C)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000731149767 641782142 /nfs/dbraw/zinc/78/21/42/641782142.db2.gz NWNFCTGTTUBQOY-VXGBXAGGSA-N 0 0 241.375 3.726 20 0 BHADRN CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1C ZINC000731149775 641781456 /nfs/dbraw/zinc/78/14/56/641781456.db2.gz OSGCFYSZHNWRGA-NEPJUHHUSA-N 0 0 241.375 3.822 20 0 BHADRN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1C ZINC000731149776 641781143 /nfs/dbraw/zinc/78/11/43/641781143.db2.gz OSGCFYSZHNWRGA-NWDGAFQWSA-N 0 0 241.375 3.822 20 0 BHADRN CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1C ZINC000731149777 641781848 /nfs/dbraw/zinc/78/18/48/641781848.db2.gz OSGCFYSZHNWRGA-RYUDHWBXSA-N 0 0 241.375 3.822 20 0 BHADRN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1C ZINC000731149778 641781377 /nfs/dbraw/zinc/78/13/77/641781377.db2.gz OSGCFYSZHNWRGA-VXGBXAGGSA-N 0 0 241.375 3.822 20 0 BHADRN Cc1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)CC2 ZINC000731149808 641782093 /nfs/dbraw/zinc/78/20/93/641782093.db2.gz RBMLTRREZMMKDM-CYBMUJFWSA-N 0 0 247.338 3.507 20 0 BHADRN Cc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC000731149809 641780925 /nfs/dbraw/zinc/78/09/25/641780925.db2.gz RBMLTRREZMMKDM-ZDUSSCGKSA-N 0 0 247.338 3.507 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000731149830 641782071 /nfs/dbraw/zinc/78/20/71/641782071.db2.gz SWBBURRTDOBBCJ-NEPJUHHUSA-N 0 0 241.375 3.870 20 0 BHADRN CCC[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000731149831 641780868 /nfs/dbraw/zinc/78/08/68/641780868.db2.gz SWBBURRTDOBBCJ-NWDGAFQWSA-N 0 0 241.375 3.870 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000731149832 641781250 /nfs/dbraw/zinc/78/12/50/641781250.db2.gz SWBBURRTDOBBCJ-RYUDHWBXSA-N 0 0 241.375 3.870 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000731149833 641782301 /nfs/dbraw/zinc/78/23/01/641782301.db2.gz SWBBURRTDOBBCJ-VXGBXAGGSA-N 0 0 241.375 3.870 20 0 BHADRN C[C@H](CN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000731149852 641781134 /nfs/dbraw/zinc/78/11/34/641781134.db2.gz WSMCCXLFWUWNFP-GFCCVEGCSA-N 0 0 249.354 3.657 20 0 BHADRN C[C@@H](CN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000731149853 641781796 /nfs/dbraw/zinc/78/17/96/641781796.db2.gz WSMCCXLFWUWNFP-LBPRGKRZSA-N 0 0 249.354 3.657 20 0 BHADRN c1ccc2c(c1)ncnc2S[C@@H]1C=CCCC1 ZINC000731155936 584922768 /nfs/dbraw/zinc/92/27/68/584922768.db2.gz BRGKOIAHCIAGMI-LLVKDONJSA-N 0 0 242.347 3.831 20 0 BHADRN c1ccc2c(c1)ncnc2S[C@H]1C=CCCC1 ZINC000731155940 584922792 /nfs/dbraw/zinc/92/27/92/584922792.db2.gz BRGKOIAHCIAGMI-NSHDSACASA-N 0 0 242.347 3.831 20 0 BHADRN C[Si](C)(C)CSc1ncnc2ccccc21 ZINC000731156664 584922771 /nfs/dbraw/zinc/92/27/71/584922771.db2.gz YBOOQNADHXENIO-UHFFFAOYSA-N 0 0 248.427 3.599 20 0 BHADRN CC(C)=CC(=O)N(c1ccccc1)C1CCCC1 ZINC000731171830 641785004 /nfs/dbraw/zinc/78/50/04/641785004.db2.gz LJEUUPXCYLMMTL-UHFFFAOYSA-N 0 0 243.350 3.928 20 0 BHADRN CCCCCCC(=O)NCC1(C)CCCC1 ZINC000731175759 584923263 /nfs/dbraw/zinc/92/32/63/584923263.db2.gz QEFDURPWRSPIMR-UHFFFAOYSA-N 0 0 225.376 3.653 20 0 BHADRN CC1(CNC(=O)C=C2CCCCC2)CCCC1 ZINC000731175920 584923207 /nfs/dbraw/zinc/92/32/07/584923207.db2.gz YBSMDDQNHWKSES-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN Cc1ccc(C[C@@H](C)Nc2nccs2)c(C)c1 ZINC000731211380 584923614 /nfs/dbraw/zinc/92/36/14/584923614.db2.gz VZCGTLBCFZBSIF-GFCCVEGCSA-N 0 0 246.379 3.803 20 0 BHADRN Cc1ccc(C[C@H](C)Nc2nccs2)c(C)c1 ZINC000731211382 584923743 /nfs/dbraw/zinc/92/37/43/584923743.db2.gz VZCGTLBCFZBSIF-LBPRGKRZSA-N 0 0 246.379 3.803 20 0 BHADRN Cc1ccc(N(C)[C@@H]2C=CCCC2)cc1 ZINC000731212459 584923750 /nfs/dbraw/zinc/92/37/50/584923750.db2.gz NGIYGHWOSFAXAQ-CYBMUJFWSA-N 0 0 201.313 3.540 20 0 BHADRN Cc1ccc(N(C)[C@H]2C=CCCC2)cc1 ZINC000731212465 584923751 /nfs/dbraw/zinc/92/37/51/584923751.db2.gz NGIYGHWOSFAXAQ-ZDUSSCGKSA-N 0 0 201.313 3.540 20 0 BHADRN CCCN(c1ccccc1)C1CCCC1 ZINC000731214851 584923761 /nfs/dbraw/zinc/92/37/61/584923761.db2.gz TUUOQKGKDHVUKJ-UHFFFAOYSA-N 0 0 203.329 3.846 20 0 BHADRN CCCC[C@H](CCC)OC(=O)[C@H](C)CSC ZINC000731388707 584925737 /nfs/dbraw/zinc/92/57/37/584925737.db2.gz ODLMYINBPXOYGS-NEPJUHHUSA-N 0 0 246.416 3.888 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)[C@@H](C)CSC ZINC000731388708 584925751 /nfs/dbraw/zinc/92/57/51/584925751.db2.gz ODLMYINBPXOYGS-NWDGAFQWSA-N 0 0 246.416 3.888 20 0 BHADRN CCCC[C@H](CCC)OC(=O)[C@@H](C)CSC ZINC000731388709 584925805 /nfs/dbraw/zinc/92/58/05/584925805.db2.gz ODLMYINBPXOYGS-RYUDHWBXSA-N 0 0 246.416 3.888 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)[C@H](C)CSC ZINC000731388710 584925762 /nfs/dbraw/zinc/92/57/62/584925762.db2.gz ODLMYINBPXOYGS-VXGBXAGGSA-N 0 0 246.416 3.888 20 0 BHADRN CCCCCOC(=O)[C@H](C)c1ccccc1F ZINC000731393319 584925503 /nfs/dbraw/zinc/92/55/03/584925503.db2.gz DGUYMNFWKJVUCS-LLVKDONJSA-N 0 0 238.302 3.663 20 0 BHADRN CCCCCOC(=O)[C@@H](C)c1ccccc1F ZINC000731393320 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ZINC000731874446 584930293 /nfs/dbraw/zinc/93/02/93/584930293.db2.gz OOWVHCYJUKIZBK-HJWRWDBZSA-N 0 0 217.312 3.536 20 0 BHADRN Cc1ccc(NC(=O)/C=C\C(C)(C)C)cc1 ZINC000731874557 584930319 /nfs/dbraw/zinc/93/03/19/584930319.db2.gz MHTOMZCEPWBWHY-KTKRTIGZSA-N 0 0 217.312 3.536 20 0 BHADRN Cc1ccc(NC(=O)/C=C/C(C)(C)C)cc1F ZINC000731874715 584930232 /nfs/dbraw/zinc/93/02/32/584930232.db2.gz OZVLPMKOXCFCLC-BQYQJAHWSA-N 0 0 235.302 3.675 20 0 BHADRN Cc1ccc(NC(=O)/C=C\C(C)(C)C)cc1F ZINC000731874716 584930290 /nfs/dbraw/zinc/93/02/90/584930290.db2.gz OZVLPMKOXCFCLC-FPLPWBNLSA-N 0 0 235.302 3.675 20 0 BHADRN CCOc1ccc(NC(=O)/C=C\C(C)(C)C)cc1 ZINC000731874900 584930231 /nfs/dbraw/zinc/93/02/31/584930231.db2.gz WQBYWRMFINBHPK-KHPPLWFESA-N 0 0 247.338 3.626 20 0 BHADRN C[C@H](CNC(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC000731875018 584930401 /nfs/dbraw/zinc/93/04/01/584930401.db2.gz YKQUSISOKQHQIG-BSYHEUMXSA-N 0 0 245.366 3.509 20 0 BHADRN C[C@@H](CNC(=O)/C=C/C(C)(C)C)c1ccccc1 ZINC000731875019 584930394 /nfs/dbraw/zinc/93/03/94/584930394.db2.gz YKQUSISOKQHQIG-NHAQELONSA-N 0 0 245.366 3.509 20 0 BHADRN C[C@H](CNC(=O)/C=C/C(C)(C)C)c1ccccc1 ZINC000731875020 584930422 /nfs/dbraw/zinc/93/04/22/584930422.db2.gz YKQUSISOKQHQIG-OCHBPSSRSA-N 0 0 245.366 3.509 20 0 BHADRN C[C@@H](CNC(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC000731875021 584930307 /nfs/dbraw/zinc/93/03/07/584930307.db2.gz YKQUSISOKQHQIG-OEYXZAGESA-N 0 0 245.366 3.509 20 0 BHADRN CSc1ccc(NC(=O)/C=C\C(C)(C)C)cc1 ZINC000731875455 584930406 /nfs/dbraw/zinc/93/04/06/584930406.db2.gz DWOUVTURIKMQDP-KTKRTIGZSA-N 0 0 249.379 3.949 20 0 BHADRN CSc1ccc(NC(=O)/C=C/C(C)(C)C)cc1 ZINC000731875456 584930359 /nfs/dbraw/zinc/93/03/59/584930359.db2.gz DWOUVTURIKMQDP-MDZDMXLPSA-N 0 0 249.379 3.949 20 0 BHADRN CC(C)(C)/C=C\C(=O)Nc1ccc2c(c1)CCC2 ZINC000731875652 584930267 /nfs/dbraw/zinc/93/02/67/584930267.db2.gz MDSXVJBMUVQDQB-KTKRTIGZSA-N 0 0 243.350 3.716 20 0 BHADRN CC(C)(C)/C=C/C(=O)Nc1ccc2c(c1)CCC2 ZINC000731875653 584930398 /nfs/dbraw/zinc/93/03/98/584930398.db2.gz MDSXVJBMUVQDQB-MDZDMXLPSA-N 0 0 243.350 3.716 20 0 BHADRN Cc1ccc(CNC(=O)/C=C/C(C)(C)C)c(C)c1 ZINC000731875736 584930341 /nfs/dbraw/zinc/93/03/41/584930341.db2.gz CPXUCSWZFUXTNX-CMDGGOBGSA-N 0 0 245.366 3.522 20 0 BHADRN Cc1ccc(CNC(=O)/C=C\C(C)(C)C)c(C)c1 ZINC000731875737 584930391 /nfs/dbraw/zinc/93/03/91/584930391.db2.gz CPXUCSWZFUXTNX-HJWRWDBZSA-N 0 0 245.366 3.522 20 0 BHADRN CC(C)(C)/C=C\C(=O)NCCCC1CCCC1 ZINC000731875840 584930397 /nfs/dbraw/zinc/93/03/97/584930397.db2.gz HODFVUJLEPSDCB-KHPPLWFESA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)(C)/C=C/C(=O)NCCCC1CCCC1 ZINC000731875841 584930335 /nfs/dbraw/zinc/93/03/35/584930335.db2.gz HODFVUJLEPSDCB-ZHACJKMWSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)/C=C\C(C)(C)C ZINC000731875897 584930344 /nfs/dbraw/zinc/93/03/44/584930344.db2.gz OREATYGUPBIEGY-BSYHEUMXSA-N 0 0 239.403 3.920 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC000731875898 584930313 /nfs/dbraw/zinc/93/03/13/584930313.db2.gz OREATYGUPBIEGY-NHAQELONSA-N 0 0 239.403 3.920 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)/C=C/C(C)(C)C ZINC000731875899 584930262 /nfs/dbraw/zinc/93/02/62/584930262.db2.gz OREATYGUPBIEGY-OCHBPSSRSA-N 0 0 239.403 3.920 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC000731875901 584930298 /nfs/dbraw/zinc/93/02/98/584930298.db2.gz OREATYGUPBIEGY-OEYXZAGESA-N 0 0 239.403 3.920 20 0 BHADRN CCCCC[C@@H](C)NC(=O)/C=C/C(C)(C)C ZINC000731875962 584930369 /nfs/dbraw/zinc/93/03/69/584930369.db2.gz RGYDSOSSIZSQJD-HCRIHEDKSA-N 0 0 225.376 3.674 20 0 BHADRN CCCCC[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC000731875963 584930385 /nfs/dbraw/zinc/93/03/85/584930385.db2.gz RGYDSOSSIZSQJD-IIANPFDCSA-N 0 0 225.376 3.674 20 0 BHADRN CCCCC[C@@H](C)NC(=O)/C=C\C(C)(C)C ZINC000731875964 584930400 /nfs/dbraw/zinc/93/04/00/584930400.db2.gz RGYDSOSSIZSQJD-NLYDNYMLSA-N 0 0 225.376 3.674 20 0 BHADRN CCCCC[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC000731875965 584930372 /nfs/dbraw/zinc/93/03/72/584930372.db2.gz RGYDSOSSIZSQJD-WEHUKYGOSA-N 0 0 225.376 3.674 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)/C=C\C(C)(C)C ZINC000731875985 584930430 /nfs/dbraw/zinc/93/04/30/584930430.db2.gz KJDZVWMEYUJIBQ-BSYHEUMXSA-N 0 0 239.403 3.921 20 0 BHADRN CCCC[C@H](CC)CNC(=O)/C=C/C(C)(C)C ZINC000731875986 584930333 /nfs/dbraw/zinc/93/03/33/584930333.db2.gz KJDZVWMEYUJIBQ-NHAQELONSA-N 0 0 239.403 3.921 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)/C=C/C(C)(C)C ZINC000731875987 584930368 /nfs/dbraw/zinc/93/03/68/584930368.db2.gz KJDZVWMEYUJIBQ-OCHBPSSRSA-N 0 0 239.403 3.921 20 0 BHADRN CCCC[C@H](CC)CNC(=O)/C=C\C(C)(C)C ZINC000731875988 584930227 /nfs/dbraw/zinc/93/02/27/584930227.db2.gz KJDZVWMEYUJIBQ-OEYXZAGESA-N 0 0 239.403 3.921 20 0 BHADRN Cc1cc(F)ccc1NC(=O)/C=C/C(C)(C)C ZINC000731876390 584930384 /nfs/dbraw/zinc/93/03/84/584930384.db2.gz WIAPYZAPRZMDPT-BQYQJAHWSA-N 0 0 235.302 3.675 20 0 BHADRN Cc1cc(F)ccc1NC(=O)/C=C\C(C)(C)C ZINC000731876391 584930356 /nfs/dbraw/zinc/93/03/56/584930356.db2.gz WIAPYZAPRZMDPT-FPLPWBNLSA-N 0 0 235.302 3.675 20 0 BHADRN CCC(CC)CN(CC)C(=O)/C=C\C(C)(C)C ZINC000731876699 584930342 /nfs/dbraw/zinc/93/03/42/584930342.db2.gz AWYHZFIVHAYLBR-KHPPLWFESA-N 0 0 239.403 3.873 20 0 BHADRN CCC(CC)CN(CC)C(=O)/C=C/C(C)(C)C ZINC000731876700 584930367 /nfs/dbraw/zinc/93/03/67/584930367.db2.gz AWYHZFIVHAYLBR-ZHACJKMWSA-N 0 0 239.403 3.873 20 0 BHADRN CCOc1cccc(NC(=O)/C=C\C(C)(C)C)c1 ZINC000731876897 584930299 /nfs/dbraw/zinc/93/02/99/584930299.db2.gz KFCWWZQPRZVLDU-KTKRTIGZSA-N 0 0 247.338 3.626 20 0 BHADRN CCOc1cccc(NC(=O)/C=C/C(C)(C)C)c1 ZINC000731876898 584930431 /nfs/dbraw/zinc/93/04/31/584930431.db2.gz KFCWWZQPRZVLDU-MDZDMXLPSA-N 0 0 247.338 3.626 20 0 BHADRN CC(C)(C)/C=C\C(=O)N1CCC[C@H]1C1CCCC1 ZINC000731877551 584930388 /nfs/dbraw/zinc/93/03/88/584930388.db2.gz SGCWIYLKXTVSEQ-BMSUMIBZSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)(C)/C=C\C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000731877553 584930402 /nfs/dbraw/zinc/93/04/02/584930402.db2.gz SGCWIYLKXTVSEQ-IWMPZKFUSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)(C)/C=C/C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000731877555 584930396 /nfs/dbraw/zinc/93/03/96/584930396.db2.gz SGCWIYLKXTVSEQ-PLSXKVAHSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)(C)/C=C/C(=O)N1CCC[C@H]1C1CCCC1 ZINC000731877557 584930433 /nfs/dbraw/zinc/93/04/33/584930433.db2.gz SGCWIYLKXTVSEQ-VNDWYCCKSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)(C)/C=C\C(=O)N1CCCc2ccccc21 ZINC000731891581 584930752 /nfs/dbraw/zinc/93/07/52/584930752.db2.gz AHQCHAGEERFIOI-KHPPLWFESA-N 0 0 243.350 3.568 20 0 BHADRN Cc1cccc(NC(=O)/C=C\C(C)(C)C)c1C ZINC000731891707 584930749 /nfs/dbraw/zinc/93/07/49/584930749.db2.gz CPVDNVBGNQLMOT-KTKRTIGZSA-N 0 0 231.339 3.844 20 0 BHADRN Cc1ccc(F)cc1NC(=O)/C=C/C(C)(C)C ZINC000731891742 584930732 /nfs/dbraw/zinc/93/07/32/584930732.db2.gz DQAGUFQHBOJINT-BQYQJAHWSA-N 0 0 235.302 3.675 20 0 BHADRN Cc1ccc(F)cc1NC(=O)/C=C\C(C)(C)C ZINC000731891743 584930890 /nfs/dbraw/zinc/93/08/90/584930890.db2.gz DQAGUFQHBOJINT-FPLPWBNLSA-N 0 0 235.302 3.675 20 0 BHADRN CC(C)(C)/C=C\C(=O)Nc1cccc(Cl)c1 ZINC000731891761 584930767 /nfs/dbraw/zinc/93/07/67/584930767.db2.gz DWLFIGUDYIFOBQ-FPLPWBNLSA-N 0 0 237.730 3.881 20 0 BHADRN CC(C)(C)/C=C\C(=O)Nc1ccc(F)c(F)c1 ZINC000731891769 584930802 /nfs/dbraw/zinc/93/08/02/584930802.db2.gz DWVWNPPDQPSWPW-SREVYHEPSA-N 0 0 239.265 3.506 20 0 BHADRN CC(C)(C)/C=C/C(=O)Nc1ccc(F)c(F)c1 ZINC000731891770 584930743 /nfs/dbraw/zinc/93/07/43/584930743.db2.gz DWVWNPPDQPSWPW-VOTSOKGWSA-N 0 0 239.265 3.506 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)/C=C\C(C)(C)C)[C@@H]1C ZINC000731891966 584930946 /nfs/dbraw/zinc/93/09/46/584930946.db2.gz FLMAFGLWOBIXGB-ISPUYXSBSA-N 0 0 237.387 3.530 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)/C=C/C(C)(C)C)[C@H]1C ZINC000731891967 584930896 /nfs/dbraw/zinc/93/08/96/584930896.db2.gz FLMAFGLWOBIXGB-MMFGINKMSA-N 0 0 237.387 3.530 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)/C=C/C(C)(C)C)[C@@H]1C ZINC000731891968 584930839 /nfs/dbraw/zinc/93/08/39/584930839.db2.gz FLMAFGLWOBIXGB-VMLVOYAYSA-N 0 0 237.387 3.530 20 0 BHADRN C[C@@H]1CCC[C@H](NC(=O)/C=C\C(C)(C)C)[C@H]1C ZINC000731891969 584930735 /nfs/dbraw/zinc/93/07/35/584930735.db2.gz FLMAFGLWOBIXGB-WATNRISESA-N 0 0 237.387 3.530 20 0 BHADRN Cc1ccc(F)c(NC(=O)/C=C/C(C)(C)C)c1 ZINC000731893056 584930768 /nfs/dbraw/zinc/93/07/68/584930768.db2.gz CMWHRDWPSDDJRL-BQYQJAHWSA-N 0 0 235.302 3.675 20 0 BHADRN Cc1ccc(F)c(NC(=O)/C=C\C(C)(C)C)c1 ZINC000731893057 584930734 /nfs/dbraw/zinc/93/07/34/584930734.db2.gz CMWHRDWPSDDJRL-FPLPWBNLSA-N 0 0 235.302 3.675 20 0 BHADRN Cc1ccc(NC(=O)/C=C/C(C)(C)C)c(F)c1 ZINC000731893465 584930774 /nfs/dbraw/zinc/93/07/74/584930774.db2.gz LYNMYYQNOLNRAE-BQYQJAHWSA-N 0 0 235.302 3.675 20 0 BHADRN Cc1ccc(NC(=O)/C=C\C(C)(C)C)c(F)c1 ZINC000731893466 584930848 /nfs/dbraw/zinc/93/08/48/584930848.db2.gz LYNMYYQNOLNRAE-FPLPWBNLSA-N 0 0 235.302 3.675 20 0 BHADRN CN(C(=O)/C=C\C(C)(C)C)C1CCCCCC1 ZINC000731893886 584930757 /nfs/dbraw/zinc/93/07/57/584930757.db2.gz FGIDAYCXVFMFCL-QXMHVHEDSA-N 0 0 237.387 3.770 20 0 BHADRN CN(C(=O)/C=C/C(C)(C)C)C1CCCCCC1 ZINC000731893887 584930891 /nfs/dbraw/zinc/93/08/91/584930891.db2.gz FGIDAYCXVFMFCL-VAWYXSNFSA-N 0 0 237.387 3.770 20 0 BHADRN Cc1ccc(C)c(NC(=O)/C=C\C(C)(C)C)c1 ZINC000731893938 584930911 /nfs/dbraw/zinc/93/09/11/584930911.db2.gz VVXDEABFRHLKGG-HJWRWDBZSA-N 0 0 231.339 3.844 20 0 BHADRN CC(C)(C)/C=C\C(=O)NC(C)(C)CC(C)(C)C ZINC000731894122 584930836 /nfs/dbraw/zinc/93/08/36/584930836.db2.gz IFYJMIOPNYRPAT-KTKRTIGZSA-N 0 0 239.403 3.920 20 0 BHADRN CCN(C(=O)/C=C\C(C)(C)C)c1ccc(F)cc1 ZINC000731894412 584930847 /nfs/dbraw/zinc/93/08/47/584930847.db2.gz PXGBYCMGZYRMDK-KHPPLWFESA-N 0 0 249.329 3.781 20 0 BHADRN CCN(C(=O)/C=C/C(C)(C)C)c1ccc(F)cc1 ZINC000731894413 584930895 /nfs/dbraw/zinc/93/08/95/584930895.db2.gz PXGBYCMGZYRMDK-ZHACJKMWSA-N 0 0 249.329 3.781 20 0 BHADRN C[C@H]1Cc2ccccc2N1C(=O)/C=C\C(C)(C)C ZINC000731894599 584930753 /nfs/dbraw/zinc/93/07/53/584930753.db2.gz ZCCPHFGYVJKVOZ-PRDAAYKISA-N 0 0 243.350 3.567 20 0 BHADRN C[C@@H]1Cc2ccccc2N1C(=O)/C=C\C(C)(C)C ZINC000731894600 584930872 /nfs/dbraw/zinc/93/08/72/584930872.db2.gz ZCCPHFGYVJKVOZ-ZWLSGLHFSA-N 0 0 243.350 3.567 20 0 BHADRN CC1CCC(N(C)C(=O)/C=C\C(C)(C)C)CC1 ZINC000731895345 584930941 /nfs/dbraw/zinc/93/09/41/584930941.db2.gz NYVACQUKYLJSIW-KHPPLWFESA-N 0 0 237.387 3.626 20 0 BHADRN CC1CCC(N(C)C(=O)/C=C/C(C)(C)C)CC1 ZINC000731895346 584930773 /nfs/dbraw/zinc/93/07/73/584930773.db2.gz NYVACQUKYLJSIW-ZHACJKMWSA-N 0 0 237.387 3.626 20 0 BHADRN CCN(C(=O)/C=C\C(C)(C)C)C1CCCCC1 ZINC000731895375 584930920 /nfs/dbraw/zinc/93/09/20/584930920.db2.gz PHMWDTQCOXLNSA-QXMHVHEDSA-N 0 0 237.387 3.770 20 0 BHADRN CCN(C(=O)/C=C/C(C)(C)C)C1CCCCC1 ZINC000731895376 584930744 /nfs/dbraw/zinc/93/07/44/584930744.db2.gz PHMWDTQCOXLNSA-VAWYXSNFSA-N 0 0 237.387 3.770 20 0 BHADRN CCN(C(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC000731895790 584930942 /nfs/dbraw/zinc/93/09/42/584930942.db2.gz ZRNWSNGQUIHSOK-QXMHVHEDSA-N 0 0 231.339 3.642 20 0 BHADRN CN(CC1CCCCC1)C(=O)/C=C\C(C)(C)C ZINC000731896769 584930846 /nfs/dbraw/zinc/93/08/46/584930846.db2.gz KQVBNUIUTBENNG-KHPPLWFESA-N 0 0 237.387 3.627 20 0 BHADRN CN(CC1CCCCC1)C(=O)/C=C/C(C)(C)C ZINC000731896770 584930791 /nfs/dbraw/zinc/93/07/91/584930791.db2.gz KQVBNUIUTBENNG-ZHACJKMWSA-N 0 0 237.387 3.627 20 0 BHADRN CC(C)[C@@H](C)N(C(=O)/C=C/C(C)(C)C)C1CC1 ZINC000731897186 584930741 /nfs/dbraw/zinc/93/07/41/584930741.db2.gz PNNXDPIBWZFJOB-BZYZDCJZSA-N 0 0 237.387 3.624 20 0 BHADRN CC(C)[C@H](C)N(C(=O)/C=C\C(C)(C)C)C1CC1 ZINC000731897187 584930818 /nfs/dbraw/zinc/93/08/18/584930818.db2.gz PNNXDPIBWZFJOB-PRDAAYKISA-N 0 0 237.387 3.624 20 0 BHADRN CC(C)[C@H](C)N(C(=O)/C=C/C(C)(C)C)C1CC1 ZINC000731897188 584930913 /nfs/dbraw/zinc/93/09/13/584930913.db2.gz PNNXDPIBWZFJOB-VMPCVLLUSA-N 0 0 237.387 3.624 20 0 BHADRN CC(C)[C@@H](C)N(C(=O)/C=C\C(C)(C)C)C1CC1 ZINC000731897189 584930850 /nfs/dbraw/zinc/93/08/50/584930850.db2.gz PNNXDPIBWZFJOB-ZWLSGLHFSA-N 0 0 237.387 3.624 20 0 BHADRN CC(C)(C)/C=C\C(=O)NC(C)(C)c1ccccc1 ZINC000731897961 584931224 /nfs/dbraw/zinc/93/12/24/584931224.db2.gz WEOQEHBLQKBVEQ-QXMHVHEDSA-N 0 0 245.366 3.640 20 0 BHADRN CC(C)(C)/C=C/C(=O)NC(C)(C)c1ccccc1 ZINC000731897962 584931235 /nfs/dbraw/zinc/93/12/35/584931235.db2.gz WEOQEHBLQKBVEQ-VAWYXSNFSA-N 0 0 245.366 3.640 20 0 BHADRN CC(C)c1noc(NC2CCCCCCC2)n1 ZINC000731901864 584931262 /nfs/dbraw/zinc/93/12/62/584931262.db2.gz LVQWCQOVLHLJCW-UHFFFAOYSA-N 0 0 237.347 3.718 20 0 BHADRN CCOc1ccccc1OC(=O)/C=C\C(C)(C)C ZINC000731902616 584931079 /nfs/dbraw/zinc/93/10/79/584931079.db2.gz UEYZSNLIYQSMJC-KHPPLWFESA-N 0 0 248.322 3.593 20 0 BHADRN CCOc1ccccc1OC(=O)/C=C/C(C)(C)C ZINC000731902617 584931047 /nfs/dbraw/zinc/93/10/47/584931047.db2.gz UEYZSNLIYQSMJC-ZHACJKMWSA-N 0 0 248.322 3.593 20 0 BHADRN CCN(C(=O)/C=C\C(C)(C)C)c1ccccc1C ZINC000731904820 584931141 /nfs/dbraw/zinc/93/11/41/584931141.db2.gz VYRPDCYFTHLUJK-QXMHVHEDSA-N 0 0 245.366 3.950 20 0 BHADRN CCN(C(=O)/C=C/C(C)(C)C)c1ccccc1C ZINC000731904822 584931178 /nfs/dbraw/zinc/93/11/78/584931178.db2.gz VYRPDCYFTHLUJK-VAWYXSNFSA-N 0 0 245.366 3.950 20 0 BHADRN Cc1ccc(OC(=O)/C=C/C(C)(C)C)c(C)c1 ZINC000731905087 584931064 /nfs/dbraw/zinc/93/10/64/584931064.db2.gz WEUIBNGJKFAMKE-CMDGGOBGSA-N 0 0 232.323 3.811 20 0 BHADRN Cc1ccc(OC(=O)/C=C\C(C)(C)C)c(C)c1 ZINC000731905091 584930993 /nfs/dbraw/zinc/93/09/93/584930993.db2.gz WEUIBNGJKFAMKE-HJWRWDBZSA-N 0 0 232.323 3.811 20 0 BHADRN CCCC[C@@H](Cc1ccccn1)OC(=O)CCC ZINC000731920333 584931473 /nfs/dbraw/zinc/93/14/73/584931473.db2.gz BKBSPECXKLDMCW-AWEZNQCLSA-N 0 0 249.354 3.526 20 0 BHADRN CCCC[C@H](Cc1ccccn1)OC(=O)CCC ZINC000731920335 584931506 /nfs/dbraw/zinc/93/15/06/584931506.db2.gz BKBSPECXKLDMCW-CQSZACIVSA-N 0 0 249.354 3.526 20 0 BHADRN CCCCCNC(=O)/C=C(\C)c1cccc(F)c1 ZINC000731952928 584932093 /nfs/dbraw/zinc/93/20/93/584932093.db2.gz GKCPZGYTSZODAN-ZRDIBKRKSA-N 0 0 249.329 3.535 20 0 BHADRN C/C(=C/C(=O)OC1CCCC1)c1cccc(F)c1 ZINC000731954912 584932083 /nfs/dbraw/zinc/93/20/83/584932083.db2.gz XWFJWPIIKNSHBG-LUAWRHEFSA-N 0 0 248.297 3.715 20 0 BHADRN C/C(=C\C(=O)OC1CCCC1)c1cccc(F)c1 ZINC000731954913 584932120 /nfs/dbraw/zinc/93/21/20/584932120.db2.gz XWFJWPIIKNSHBG-PKNBQFBNSA-N 0 0 248.297 3.715 20 0 BHADRN CCC[C@@H](C)NC(=O)/C=C(\C)c1cccc(F)c1 ZINC000731956496 584932418 /nfs/dbraw/zinc/93/24/18/584932418.db2.gz LLFKCCFANNLGPU-LMMOQWNQSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@H](C)NC(=O)/C=C(/C)c1cccc(F)c1 ZINC000731956497 584932301 /nfs/dbraw/zinc/93/23/01/584932301.db2.gz LLFKCCFANNLGPU-MMRAYRKESA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@@H](C)NC(=O)/C=C(/C)c1cccc(F)c1 ZINC000731956498 584932359 /nfs/dbraw/zinc/93/23/59/584932359.db2.gz LLFKCCFANNLGPU-UCQJPZFISA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@H](C)NC(=O)/C=C(\C)c1cccc(F)c1 ZINC000731956499 584932411 /nfs/dbraw/zinc/93/24/11/584932411.db2.gz LLFKCCFANNLGPU-ZKQHCESOSA-N 0 0 249.329 3.534 20 0 BHADRN CCC(CC)NC(=O)/C=C(\C)c1cccc(F)c1 ZINC000731956645 584932282 /nfs/dbraw/zinc/93/22/82/584932282.db2.gz ONWYOYNSXXDCNC-PKNBQFBNSA-N 0 0 249.329 3.534 20 0 BHADRN CCC(C)(C)NC(=O)/C=C(\C)c1cccc(F)c1 ZINC000731957596 584932435 /nfs/dbraw/zinc/93/24/35/584932435.db2.gz SGKSCJSBCIUOEN-PKNBQFBNSA-N 0 0 249.329 3.534 20 0 BHADRN Cc1cc(NCC2CCCCCCC2)ncn1 ZINC000731982153 584932546 /nfs/dbraw/zinc/93/25/46/584932546.db2.gz VATNBHQBSOTXJA-UHFFFAOYSA-N 0 0 233.359 3.557 20 0 BHADRN CCCCC[C@@H](C)Nc1ccnc(C(C)C)n1 ZINC000731987461 584932561 /nfs/dbraw/zinc/93/25/61/584932561.db2.gz ZNPUTURMMXDIHP-GFCCVEGCSA-N 0 0 235.375 3.981 20 0 BHADRN CCCCC[C@H](C)Nc1ccnc(C(C)C)n1 ZINC000731987462 584932685 /nfs/dbraw/zinc/93/26/85/584932685.db2.gz ZNPUTURMMXDIHP-LBPRGKRZSA-N 0 0 235.375 3.981 20 0 BHADRN CC(C)N(C(=O)C=C1CCCCC1)C(C)C ZINC000731988844 584932773 /nfs/dbraw/zinc/93/27/73/584932773.db2.gz MMZKNJIPTWDING-UHFFFAOYSA-N 0 0 223.360 3.522 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)/C=C(/C)c1ccccc1 ZINC000731997347 584932918 /nfs/dbraw/zinc/93/29/18/584932918.db2.gz JUZPXEWUVBPVFJ-KECPUOCWSA-N 0 0 245.366 3.594 20 0 BHADRN CC[C@@H](C)CN(C)C(=O)/C=C(\C)c1ccccc1 ZINC000731997349 584932902 /nfs/dbraw/zinc/93/29/02/584932902.db2.gz JUZPXEWUVBPVFJ-MBFWDRTGSA-N 0 0 245.366 3.594 20 0 BHADRN CC[C@H](C)CN(C)C(=O)/C=C(\C)c1ccccc1 ZINC000731997351 584932872 /nfs/dbraw/zinc/93/28/72/584932872.db2.gz JUZPXEWUVBPVFJ-UQRISPGASA-N 0 0 245.366 3.594 20 0 BHADRN CC[C@H](C)CN(C)C(=O)/C=C(/C)c1ccccc1 ZINC000731997352 584932733 /nfs/dbraw/zinc/93/27/33/584932733.db2.gz JUZPXEWUVBPVFJ-UROBUVALSA-N 0 0 245.366 3.594 20 0 BHADRN CC/C=C(\C)C(=O)N1CCCc2ccc(C)cc21 ZINC000732008209 584932795 /nfs/dbraw/zinc/93/27/95/584932795.db2.gz JJMWYWQRFUXZAH-AWNIVKPZSA-N 0 0 243.350 3.631 20 0 BHADRN CC/C=C(/C)C(=O)N1CCCc2ccc(C)cc21 ZINC000732008210 584932742 /nfs/dbraw/zinc/93/27/42/584932742.db2.gz JJMWYWQRFUXZAH-MLPAPPSSSA-N 0 0 243.350 3.631 20 0 BHADRN CN(CC1CCC1)c1nccc2sccc21 ZINC000732050550 584932921 /nfs/dbraw/zinc/93/29/21/584932921.db2.gz CNKZGUNFMWCDJD-UHFFFAOYSA-N 0 0 232.352 3.533 20 0 BHADRN Fc1cccc(N2CCCC3(CCCCC3)C2)n1 ZINC000732051758 584933154 /nfs/dbraw/zinc/93/31/54/584933154.db2.gz DSIPZEZGMBUGGE-UHFFFAOYSA-N 0 0 248.345 3.771 20 0 BHADRN c1csc(N2CCCC3(CCCCC3)C2)n1 ZINC000732052281 584932955 /nfs/dbraw/zinc/93/29/55/584932955.db2.gz OTDMYNRPDDESJK-UHFFFAOYSA-N 0 0 236.384 3.694 20 0 BHADRN CCC/C=C\C(=O)N(CCCC)[C@H](C)CC ZINC000732095846 584933915 /nfs/dbraw/zinc/93/39/15/584933915.db2.gz ZFALKFNRMDGWMU-BSYHEUMXSA-N 0 0 225.376 3.770 20 0 BHADRN CCC/C=C/C(=O)N(CCCC)[C@@H](C)CC ZINC000732095847 584933765 /nfs/dbraw/zinc/93/37/65/584933765.db2.gz ZFALKFNRMDGWMU-NHAQELONSA-N 0 0 225.376 3.770 20 0 BHADRN CCC/C=C/C(=O)N(CCCC)[C@H](C)CC ZINC000732095848 584933825 /nfs/dbraw/zinc/93/38/25/584933825.db2.gz ZFALKFNRMDGWMU-OCHBPSSRSA-N 0 0 225.376 3.770 20 0 BHADRN CCC/C=C\C(=O)N(CCCC)[C@@H](C)CC ZINC000732095849 584933734 /nfs/dbraw/zinc/93/37/34/584933734.db2.gz 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20 0 BHADRN C/C=C/C=C\C(=O)N1CCCC2(CCCCC2)C1 ZINC000732177776 584934237 /nfs/dbraw/zinc/93/42/37/584934237.db2.gz NILGFWFVOPCJCS-QUJRGRDMSA-N 0 0 247.382 3.692 20 0 BHADRN CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)OC ZINC000732178903 584934507 /nfs/dbraw/zinc/93/45/07/584934507.db2.gz WIELWTWBEPDDFB-AWEZNQCLSA-N 0 0 249.354 3.862 20 0 BHADRN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)OC ZINC000732178904 584934245 /nfs/dbraw/zinc/93/42/45/584934245.db2.gz WIELWTWBEPDDFB-CQSZACIVSA-N 0 0 249.354 3.862 20 0 BHADRN CCCCOC(=O)/C=C(/C)c1cccc(F)c1 ZINC000732372151 584936644 /nfs/dbraw/zinc/93/66/44/584936644.db2.gz MGAFRVJMXLBZIN-LUAWRHEFSA-N 0 0 236.286 3.572 20 0 BHADRN CCCCOC(=O)/C=C(\C)c1cccc(F)c1 ZINC000732372154 584936756 /nfs/dbraw/zinc/93/67/56/584936756.db2.gz MGAFRVJMXLBZIN-PKNBQFBNSA-N 0 0 236.286 3.572 20 0 BHADRN CCCCCCOC(=O)c1ncoc1C(C)C ZINC000732385838 584936632 /nfs/dbraw/zinc/93/66/32/584936632.db2.gz FMBSWPIZFVEOIN-UHFFFAOYSA-N 0 0 239.315 3.535 20 0 BHADRN CCCCOC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000732390231 584936505 /nfs/dbraw/zinc/93/65/05/584936505.db2.gz ZXPXLJYXOJGQHR-UHFFFAOYSA-N 0 0 243.306 3.639 20 0 BHADRN Cc1ccccc1COC(=O)/C=C\C(C)(C)C ZINC000732402926 711869782 /nfs/dbraw/zinc/86/97/82/711869782.db2.gz WPFRVRQTRVXZMV-KTKRTIGZSA-N 0 0 232.323 3.641 20 0 BHADRN Cc1ccccc1COC(=O)/C=C/C(C)(C)C ZINC000732402927 641833372 /nfs/dbraw/zinc/83/33/72/641833372.db2.gz WPFRVRQTRVXZMV-MDZDMXLPSA-N 0 0 232.323 3.641 20 0 BHADRN C[C@@H](OC(=O)/C=C/C(C)(C)C)c1ccccc1 ZINC000732403618 641833770 /nfs/dbraw/zinc/83/37/70/641833770.db2.gz XXAAVJHISDLSBU-HCRIHEDKSA-N 0 0 232.323 3.893 20 0 BHADRN C[C@H](OC(=O)/C=C/C(C)(C)C)c1ccccc1 ZINC000732403619 641833493 /nfs/dbraw/zinc/83/34/93/641833493.db2.gz XXAAVJHISDLSBU-IIANPFDCSA-N 0 0 232.323 3.893 20 0 BHADRN C[C@@H](OC(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC000732403620 641833805 /nfs/dbraw/zinc/83/38/05/641833805.db2.gz XXAAVJHISDLSBU-NLYDNYMLSA-N 0 0 232.323 3.893 20 0 BHADRN C[C@H](OC(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC000732403621 641833511 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LJABZAFOLFEOFH-LBPRGKRZSA-N 0 0 238.352 3.511 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000732498459 641856676 /nfs/dbraw/zinc/85/66/76/641856676.db2.gz YCBONOJKVDWYOI-LLVKDONJSA-N 0 0 243.306 3.637 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000732498460 641856144 /nfs/dbraw/zinc/85/61/44/641856144.db2.gz YCBONOJKVDWYOI-NSHDSACASA-N 0 0 243.306 3.637 20 0 BHADRN CCCCOC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732588591 584938938 /nfs/dbraw/zinc/93/89/38/584938938.db2.gz UUOVKBZSAZKPDG-CYBMUJFWSA-N 0 0 246.350 3.525 20 0 BHADRN CCCCOC(=O)C[C@H]1CCc2ccccc2C1 ZINC000732588595 584938980 /nfs/dbraw/zinc/93/89/80/584938980.db2.gz UUOVKBZSAZKPDG-ZDUSSCGKSA-N 0 0 246.350 3.525 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732595976 584939167 /nfs/dbraw/zinc/93/91/67/584939167.db2.gz GIZMINHIPSZUKQ-CHWSQXEVSA-N 0 0 246.350 3.523 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@H]1CCc2ccccc2C1 ZINC000732595977 584939076 /nfs/dbraw/zinc/93/90/76/584939076.db2.gz GIZMINHIPSZUKQ-OLZOCXBDSA-N 0 0 246.350 3.523 20 0 BHADRN CC[C@H](C)OC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732595978 584939081 /nfs/dbraw/zinc/93/90/81/584939081.db2.gz GIZMINHIPSZUKQ-QWHCGFSZSA-N 0 0 246.350 3.523 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H]1CCc2ccccc2C1 ZINC000732595979 584939199 /nfs/dbraw/zinc/93/91/99/584939199.db2.gz GIZMINHIPSZUKQ-STQMWFEESA-N 0 0 246.350 3.523 20 0 BHADRN CC(=O)OCCCCSCC1CCCCC1 ZINC000732717961 584940089 /nfs/dbraw/zinc/94/00/89/584940089.db2.gz NBZHTYBUZVNKML-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CSc1ccc(C(=O)Oc2ccccc2C)o1 ZINC000732726478 584940515 /nfs/dbraw/zinc/94/05/15/584940515.db2.gz FVBROHTVFMAHQT-UHFFFAOYSA-N 0 0 248.303 3.529 20 0 BHADRN CSc1ccc(C(=O)Oc2cccc(C)c2)o1 ZINC000732726648 584940353 /nfs/dbraw/zinc/94/03/53/584940353.db2.gz KEUWVQDZIWPGSM-UHFFFAOYSA-N 0 0 248.303 3.529 20 0 BHADRN CC[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000732726757 584940603 /nfs/dbraw/zinc/94/06/03/584940603.db2.gz QQKTUNMUMHJKCS-AWEZNQCLSA-N 0 0 246.350 3.741 20 0 BHADRN CC[C@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000732726758 584940573 /nfs/dbraw/zinc/94/05/73/584940573.db2.gz QQKTUNMUMHJKCS-CQSZACIVSA-N 0 0 246.350 3.741 20 0 BHADRN CSc1ccc(C(=O)Oc2ccc(C)cc2)o1 ZINC000732727079 584940496 /nfs/dbraw/zinc/94/04/96/584940496.db2.gz XFXQBHNKFMQNGC-UHFFFAOYSA-N 0 0 248.303 3.529 20 0 BHADRN CCC/C=C/C(=O)N(C(C)C)C1CCCC1 ZINC000732762076 641867008 /nfs/dbraw/zinc/86/70/08/641867008.db2.gz ROZRJIHMEKVSFW-IZZDOVSWSA-N 0 0 223.360 3.522 20 0 BHADRN CCC/C=C\C(=O)N(C(C)C)C1CCCC1 ZINC000732762077 641867599 /nfs/dbraw/zinc/86/75/99/641867599.db2.gz ROZRJIHMEKVSFW-WDZFZDKYSA-N 0 0 223.360 3.522 20 0 BHADRN CCCCN(CC(F)(F)F)C[Si](C)(C)C ZINC000732807397 584941320 /nfs/dbraw/zinc/94/13/20/584941320.db2.gz OWYWGOIHXBWTFF-UHFFFAOYSA-N 0 0 241.373 3.528 20 0 BHADRN Cc1ccc(NCc2coc(C3CC3)n2)cc1C ZINC000732817580 584941279 /nfs/dbraw/zinc/94/12/79/584941279.db2.gz AVSUAENOFOWGNW-UHFFFAOYSA-N 0 0 242.322 3.781 20 0 BHADRN c1ccc(Cc2nc3c(s2)CCCC3)cc1 ZINC000732820969 641872451 /nfs/dbraw/zinc/87/24/51/641872451.db2.gz RBMIECIUEUKELN-UHFFFAOYSA-N 0 0 229.348 3.613 20 0 BHADRN CCCCOC(=O)[C@@H](CC)Cc1ccccc1 ZINC000732853887 584941535 /nfs/dbraw/zinc/94/15/35/584941535.db2.gz KABATYGGFDUHSV-AWEZNQCLSA-N 0 0 234.339 3.599 20 0 BHADRN CCCCOC(=O)[C@H](CC)Cc1ccccc1 ZINC000732853888 584941545 /nfs/dbraw/zinc/94/15/45/584941545.db2.gz KABATYGGFDUHSV-CQSZACIVSA-N 0 0 234.339 3.599 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1OC(=O)c1occc1C ZINC000732892115 584941658 /nfs/dbraw/zinc/94/16/58/584941658.db2.gz RTIZXYKUSJHLQU-NEPJUHHUSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@H]1CCCC[C@H]1OC(=O)c1occc1C ZINC000732892116 584941632 /nfs/dbraw/zinc/94/16/32/584941632.db2.gz RTIZXYKUSJHLQU-NWDGAFQWSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@H]1CCCC[C@@H]1OC(=O)c1occc1C ZINC000732892117 584941623 /nfs/dbraw/zinc/94/16/23/584941623.db2.gz RTIZXYKUSJHLQU-RYUDHWBXSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@@H]1CCCC[C@H]1OC(=O)c1occc1C ZINC000732892118 584941627 /nfs/dbraw/zinc/94/16/27/584941627.db2.gz RTIZXYKUSJHLQU-VXGBXAGGSA-N 0 0 236.311 3.714 20 0 BHADRN CC/C=C/COC(=O)[C@@H](CC)Cc1ccccc1 ZINC000732901339 584941689 /nfs/dbraw/zinc/94/16/89/584941689.db2.gz OIMZFXOJMOOXBO-BOSPYUDASA-N 0 0 246.350 3.765 20 0 BHADRN CC/C=C/COC(=O)[C@H](CC)Cc1ccccc1 ZINC000732901340 584941653 /nfs/dbraw/zinc/94/16/53/584941653.db2.gz OIMZFXOJMOOXBO-FUVBFXSKSA-N 0 0 246.350 3.765 20 0 BHADRN CC/C=C\COC(=O)[C@H](CC)Cc1ccccc1 ZINC000732901341 584941678 /nfs/dbraw/zinc/94/16/78/584941678.db2.gz OIMZFXOJMOOXBO-HMZQOCAUSA-N 0 0 246.350 3.765 20 0 BHADRN CC/C=C\COC(=O)[C@@H](CC)Cc1ccccc1 ZINC000732901342 584941670 /nfs/dbraw/zinc/94/16/70/584941670.db2.gz OIMZFXOJMOOXBO-ZHMISCPASA-N 0 0 246.350 3.765 20 0 BHADRN CSc1ccc(C(=O)OCCCC(C)C)o1 ZINC000732901650 584941661 /nfs/dbraw/zinc/94/16/61/584941661.db2.gz YRAXSOGWLHDLLK-UHFFFAOYSA-N 0 0 242.340 3.595 20 0 BHADRN CC[C@@H](Cc1ccccc1)C(=O)OCC(C)(C)C ZINC000732902130 584941725 /nfs/dbraw/zinc/94/17/25/584941725.db2.gz BKVCGVNDGITGGG-AWEZNQCLSA-N 0 0 248.366 3.845 20 0 BHADRN CC[C@H](Cc1ccccc1)C(=O)OCC(C)(C)C ZINC000732902131 584941715 /nfs/dbraw/zinc/94/17/15/584941715.db2.gz BKVCGVNDGITGGG-CQSZACIVSA-N 0 0 248.366 3.845 20 0 BHADRN CC/C=C\CCOC(=O)c1ccc(SC)o1 ZINC000732903794 584941708 /nfs/dbraw/zinc/94/17/08/584941708.db2.gz WXBMMASSVVKECY-PLNGDYQASA-N 0 0 240.324 3.515 20 0 BHADRN CC/C=C/CCOC(=O)c1ccc(SC)o1 ZINC000732903796 584941717 /nfs/dbraw/zinc/94/17/17/584941717.db2.gz WXBMMASSVVKECY-SNAWJCMRSA-N 0 0 240.324 3.515 20 0 BHADRN CCC/C(C)=C/C(=O)NC/C=C/c1ccccc1 ZINC000732937060 641880551 /nfs/dbraw/zinc/88/05/51/641880551.db2.gz DRBJTLOQNBRCOI-GYZZCKOYSA-N 0 0 243.350 3.562 20 0 BHADRN CCC/C(C)=C\C(=O)NC/C=C/c1ccccc1 ZINC000732937061 641879803 /nfs/dbraw/zinc/87/98/03/641879803.db2.gz DRBJTLOQNBRCOI-LNIKZEKSSA-N 0 0 243.350 3.562 20 0 BHADRN CCC/C(C)=C/C(=O)NC/C=C\c1ccccc1 ZINC000732937062 641879588 /nfs/dbraw/zinc/87/95/88/641879588.db2.gz DRBJTLOQNBRCOI-UKCOVKCYSA-N 0 0 243.350 3.562 20 0 BHADRN CCC/C(C)=C\C(=O)NC/C=C\c1ccccc1 ZINC000732937063 641880203 /nfs/dbraw/zinc/88/02/03/641880203.db2.gz DRBJTLOQNBRCOI-ZDVOXNMWSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C=C(\C)C(=O)N(C)c1ccc(SC)cc1 ZINC000732938597 641880008 /nfs/dbraw/zinc/88/00/08/641880008.db2.gz CIEKQOGGZFDULW-IZZDOVSWSA-N 0 0 249.379 3.728 20 0 BHADRN CC/C=C(/C)C(=O)N(C)c1ccc(SC)cc1 ZINC000732938598 641879837 /nfs/dbraw/zinc/87/98/37/641879837.db2.gz CIEKQOGGZFDULW-WDZFZDKYSA-N 0 0 249.379 3.728 20 0 BHADRN C/C=C/C=C\C(=O)N(C)c1ccc(SC)cc1 ZINC000732939841 641879709 /nfs/dbraw/zinc/87/97/09/641879709.db2.gz ILZYXOWDMHCSAX-DEQVHDEQSA-N 0 0 247.363 3.504 20 0 BHADRN C/C=C/C=C/C(=O)N(C)c1ccc(SC)cc1 ZINC000732939842 641879888 /nfs/dbraw/zinc/87/98/88/641879888.db2.gz ILZYXOWDMHCSAX-YTXTXJHMSA-N 0 0 247.363 3.504 20 0 BHADRN CCC/C=C\C(=O)N(C)c1ccc(SC)cc1 ZINC000732965605 641880877 /nfs/dbraw/zinc/88/08/77/641880877.db2.gz YOCPQHRKAVIXFZ-SREVYHEPSA-N 0 0 249.379 3.728 20 0 BHADRN CCC/C=C/C(=O)N(C)c1ccc(SC)cc1 ZINC000732965606 641881271 /nfs/dbraw/zinc/88/12/71/641881271.db2.gz YOCPQHRKAVIXFZ-VOTSOKGWSA-N 0 0 249.379 3.728 20 0 BHADRN CC1(C)CCCN(C(=O)C=C2CCCCC2)C1 ZINC000732971965 641881674 /nfs/dbraw/zinc/88/16/74/641881674.db2.gz UKEHMICHINIETM-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCc1ccc(N(CC)CC2CCOCC2)cc1 ZINC000732981976 584942207 /nfs/dbraw/zinc/94/22/07/584942207.db2.gz JMUZJJIUBYPMEU-UHFFFAOYSA-N 0 0 247.382 3.502 20 0 BHADRN CCCOC(=O)C(C)(C)CCCc1ccccc1 ZINC000733028694 584942328 /nfs/dbraw/zinc/94/23/28/584942328.db2.gz XCQFNODHWLNTFH-UHFFFAOYSA-N 0 0 248.366 3.989 20 0 BHADRN CCCCN(C)c1ccc(SC)cc1 ZINC000733030354 584942369 /nfs/dbraw/zinc/94/23/69/584942369.db2.gz UKGBHOHYFGUDFP-UHFFFAOYSA-N 0 0 209.358 3.645 20 0 BHADRN CC(C)(C)SCCOC(=O)C=C1CCCC1 ZINC000733064010 584942648 /nfs/dbraw/zinc/94/26/48/584942648.db2.gz KXPVHQOFUHKRIF-UHFFFAOYSA-N 0 0 242.384 3.562 20 0 BHADRN CCC/C(C)=C\C(=O)OCCSC(C)(C)C ZINC000733065178 584942838 /nfs/dbraw/zinc/94/28/38/584942838.db2.gz HQWKCODLBXYARV-KHPPLWFESA-N 0 0 244.400 3.808 20 0 BHADRN CCC/C(C)=C/C(=O)OCCSC(C)(C)C ZINC000733065179 584942861 /nfs/dbraw/zinc/94/28/61/584942861.db2.gz HQWKCODLBXYARV-ZHACJKMWSA-N 0 0 244.400 3.808 20 0 BHADRN CCC[C@@H](C)CC(=O)OCCSC(C)(C)C ZINC000733065487 584942856 /nfs/dbraw/zinc/94/28/56/584942856.db2.gz CHQONLUUKBLURV-LLVKDONJSA-N 0 0 246.416 3.888 20 0 BHADRN CCC[C@H](C)CC(=O)OCCSC(C)(C)C ZINC000733065488 584942741 /nfs/dbraw/zinc/94/27/41/584942741.db2.gz CHQONLUUKBLURV-NSHDSACASA-N 0 0 246.416 3.888 20 0 BHADRN CC(C)(C)SCCOC(=O)C1(C)CCCC1 ZINC000733065545 584942846 /nfs/dbraw/zinc/94/28/46/584942846.db2.gz GHIBFXKKIJDAJR-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCCCCC(=O)OCCSC(C)(C)C ZINC000733065824 584942737 /nfs/dbraw/zinc/94/27/37/584942737.db2.gz UUGLCXGVNHAUIG-UHFFFAOYSA-N 0 0 232.389 3.642 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)[C@@H](C)C(C)C ZINC000733084406 584942967 /nfs/dbraw/zinc/94/29/67/584942967.db2.gz BXDXUOIIVYMYIP-JTQLQIEISA-N 0 0 240.730 3.846 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)[C@H](C)C(C)C ZINC000733084407 584943059 /nfs/dbraw/zinc/94/30/59/584943059.db2.gz BXDXUOIIVYMYIP-SNVBAGLBSA-N 0 0 240.730 3.846 20 0 BHADRN Cc1cc(OC(=O)[C@@H](C)C(C)C)ccc1Cl ZINC000733084418 584943013 /nfs/dbraw/zinc/94/30/13/584943013.db2.gz CNMFGLAHJCYJAH-JTQLQIEISA-N 0 0 240.730 3.846 20 0 BHADRN Cc1cc(OC(=O)[C@H](C)C(C)C)ccc1Cl ZINC000733084419 584943035 /nfs/dbraw/zinc/94/30/35/584943035.db2.gz CNMFGLAHJCYJAH-SNVBAGLBSA-N 0 0 240.730 3.846 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@H](C)C(C)C)c1C ZINC000733084620 584943032 /nfs/dbraw/zinc/94/30/32/584943032.db2.gz ILBDCTWQWPTGFD-GFCCVEGCSA-N 0 0 234.339 3.809 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@@H](C)C(C)C)c1C ZINC000733084621 584943056 /nfs/dbraw/zinc/94/30/56/584943056.db2.gz ILBDCTWQWPTGFD-LBPRGKRZSA-N 0 0 234.339 3.809 20 0 BHADRN CC(C)[C@@H](C)C(=O)Oc1cccc(Cl)c1 ZINC000733085607 584942964 /nfs/dbraw/zinc/94/29/64/584942964.db2.gz DVOGXYQVFJLXSH-SECBINFHSA-N 0 0 226.703 3.538 20 0 BHADRN CC(C)[C@H](C)C(=O)Oc1cccc(Cl)c1 ZINC000733085612 584943077 /nfs/dbraw/zinc/94/30/77/584943077.db2.gz DVOGXYQVFJLXSH-VIFPVBQESA-N 0 0 226.703 3.538 20 0 BHADRN Cc1cccc(C)c1OC(=O)[C@H](C)C(C)C ZINC000733085746 584942952 /nfs/dbraw/zinc/94/29/52/584942952.db2.gz GRVTUNXLOUJZDF-GFCCVEGCSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1cccc(C)c1OC(=O)[C@@H](C)C(C)C ZINC000733085749 584942999 /nfs/dbraw/zinc/94/29/99/584942999.db2.gz GRVTUNXLOUJZDF-LBPRGKRZSA-N 0 0 220.312 3.501 20 0 BHADRN CC(C)[C@@H](C)C(=O)OC1CCCCCC1 ZINC000733087709 584943156 /nfs/dbraw/zinc/94/31/56/584943156.db2.gz AZHAPFIFQOZJQB-LLVKDONJSA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)[C@H](C)C(=O)OC1CCCCCC1 ZINC000733087711 584943134 /nfs/dbraw/zinc/94/31/34/584943134.db2.gz AZHAPFIFQOZJQB-NSHDSACASA-N 0 0 212.333 3.545 20 0 BHADRN Cc1ccc(OC(=O)[C@H](C)C(C)C)cc1C ZINC000733087790 584943126 /nfs/dbraw/zinc/94/31/26/584943126.db2.gz CZPCWXYFHFHDHW-GFCCVEGCSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](C)C(C)C)cc1C ZINC000733087792 584943213 /nfs/dbraw/zinc/94/32/13/584943213.db2.gz CZPCWXYFHFHDHW-LBPRGKRZSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1cccc(OC(=O)[C@H](C)C(C)C)c1C ZINC000733088039 584943229 /nfs/dbraw/zinc/94/32/29/584943229.db2.gz CRHAMFFMELVOPT-LLVKDONJSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](C)C(C)C)c1C ZINC000733088040 584943204 /nfs/dbraw/zinc/94/32/04/584943204.db2.gz CRHAMFFMELVOPT-NSHDSACASA-N 0 0 220.312 3.501 20 0 BHADRN CC(C)[C@H](C)C(=O)OCc1ccccc1Cl ZINC000733088441 584943151 /nfs/dbraw/zinc/94/31/51/584943151.db2.gz NEINYJJBBSXVMI-JTQLQIEISA-N 0 0 240.730 3.675 20 0 BHADRN CC(C)[C@@H](C)C(=O)OCc1ccccc1Cl ZINC000733088442 584943205 /nfs/dbraw/zinc/94/32/05/584943205.db2.gz NEINYJJBBSXVMI-SNVBAGLBSA-N 0 0 240.730 3.675 20 0 BHADRN CC(C)[C@H](C)C(=O)OCc1ccc(Cl)cc1 ZINC000733088447 584943266 /nfs/dbraw/zinc/94/32/66/584943266.db2.gz NQESSCOPTRKKMC-JTQLQIEISA-N 0 0 240.730 3.675 20 0 BHADRN CC(C)[C@@H](C)C(=O)OCc1ccc(Cl)cc1 ZINC000733088448 584943210 /nfs/dbraw/zinc/94/32/10/584943210.db2.gz NQESSCOPTRKKMC-SNVBAGLBSA-N 0 0 240.730 3.675 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)[C@@H](C)C(C)C)c1 ZINC000733088583 584943251 /nfs/dbraw/zinc/94/32/51/584943251.db2.gz LYEAHPUTGCGURV-JTQLQIEISA-N 0 0 240.730 3.846 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)[C@H](C)C(C)C)c1 ZINC000733088584 584943233 /nfs/dbraw/zinc/94/32/33/584943233.db2.gz LYEAHPUTGCGURV-SNVBAGLBSA-N 0 0 240.730 3.846 20 0 BHADRN Cc1cc(C)cc(OC(=O)[C@H](C)C(C)C)c1 ZINC000733088810 584943261 /nfs/dbraw/zinc/94/32/61/584943261.db2.gz VQJVVAVCEBMEOG-GFCCVEGCSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1cc(C)cc(OC(=O)[C@@H](C)C(C)C)c1 ZINC000733088811 584943252 /nfs/dbraw/zinc/94/32/52/584943252.db2.gz VQJVVAVCEBMEOG-LBPRGKRZSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@H](C)C(C)C)c1 ZINC000733088846 584943121 /nfs/dbraw/zinc/94/31/21/584943121.db2.gz XSBVOIWVEPYCDU-GFCCVEGCSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@@H](C)C(C)C)c1 ZINC000733088847 584943164 /nfs/dbraw/zinc/94/31/64/584943164.db2.gz XSBVOIWVEPYCDU-LBPRGKRZSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1ccc2c(c1)CCCN2C(=O)[C@H](C)C(C)C ZINC000733089281 584943253 /nfs/dbraw/zinc/94/32/53/584943253.db2.gz DOLWLVMOBNZTML-CYBMUJFWSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1ccc2c(c1)CCCN2C(=O)[C@@H](C)C(C)C ZINC000733089282 584943240 /nfs/dbraw/zinc/94/32/40/584943240.db2.gz DOLWLVMOBNZTML-ZDUSSCGKSA-N 0 0 245.366 3.566 20 0 BHADRN Cc1ccc(OC(=O)[C@H](C)C(C)C)c(C)c1 ZINC000733089469 584943139 /nfs/dbraw/zinc/94/31/39/584943139.db2.gz HVCYGMJODQRXTG-GFCCVEGCSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](C)C(C)C)c(C)c1 ZINC000733089470 584943209 /nfs/dbraw/zinc/94/32/09/584943209.db2.gz HVCYGMJODQRXTG-LBPRGKRZSA-N 0 0 220.312 3.501 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)[C@H](C)C(C)C)c1 ZINC000733090523 584943133 /nfs/dbraw/zinc/94/31/33/584943133.db2.gz KGCMDJSDUGWCRX-GFCCVEGCSA-N 0 0 234.339 3.809 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)[C@@H](C)C(C)C)c1 ZINC000733090524 584943208 /nfs/dbraw/zinc/94/32/08/584943208.db2.gz KGCMDJSDUGWCRX-LBPRGKRZSA-N 0 0 234.339 3.809 20 0 BHADRN CCc1ccc(N(CC)C(=O)[C@H](C)C(C)C)cc1 ZINC000733091671 584943243 /nfs/dbraw/zinc/94/32/43/584943243.db2.gz JSWQBKPVXHEEQZ-CYBMUJFWSA-N 0 0 247.382 3.894 20 0 BHADRN CCc1ccc(N(CC)C(=O)[C@@H](C)C(C)C)cc1 ZINC000733091672 584943132 /nfs/dbraw/zinc/94/31/32/584943132.db2.gz JSWQBKPVXHEEQZ-ZDUSSCGKSA-N 0 0 247.382 3.894 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@@H](C)c1ccccc1 ZINC000733091704 584943166 /nfs/dbraw/zinc/94/31/66/584943166.db2.gz FDDLNWWAPWRTBO-NEPJUHHUSA-N 0 0 220.312 3.583 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@H](C)c1ccccc1 ZINC000733091705 584943149 /nfs/dbraw/zinc/94/31/49/584943149.db2.gz FDDLNWWAPWRTBO-NWDGAFQWSA-N 0 0 220.312 3.583 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@@H](C)c1ccccc1 ZINC000733091708 584943131 /nfs/dbraw/zinc/94/31/31/584943131.db2.gz FDDLNWWAPWRTBO-RYUDHWBXSA-N 0 0 220.312 3.583 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@H](C)c1ccccc1 ZINC000733091709 584943224 /nfs/dbraw/zinc/94/32/24/584943224.db2.gz FDDLNWWAPWRTBO-VXGBXAGGSA-N 0 0 220.312 3.583 20 0 BHADRN CCN(C(=O)[C@H](C)C(C)C)c1ccc(C)cc1 ZINC000733092135 584943216 /nfs/dbraw/zinc/94/32/16/584943216.db2.gz BDPQIYCVDMRACA-CYBMUJFWSA-N 0 0 233.355 3.640 20 0 BHADRN CCN(C(=O)[C@@H](C)C(C)C)c1ccc(C)cc1 ZINC000733092138 584943188 /nfs/dbraw/zinc/94/31/88/584943188.db2.gz BDPQIYCVDMRACA-ZDUSSCGKSA-N 0 0 233.355 3.640 20 0 BHADRN CC(C)[C@@H](C)C(=O)Oc1ccc(Cl)cc1F ZINC000733093765 584943199 /nfs/dbraw/zinc/94/31/99/584943199.db2.gz XDKOIWQQFYRDRQ-MRVPVSSYSA-N 0 0 244.693 3.677 20 0 BHADRN CC(C)[C@H](C)C(=O)Oc1ccc(Cl)cc1F ZINC000733093771 584943196 /nfs/dbraw/zinc/94/31/96/584943196.db2.gz XDKOIWQQFYRDRQ-QMMMGPOBSA-N 0 0 244.693 3.677 20 0 BHADRN CCCc1ccc(NC(=O)[C@H](C)C(C)C)cc1 ZINC000733093782 584943118 /nfs/dbraw/zinc/94/31/18/584943118.db2.gz XHFRYPQFNQIUAE-GFCCVEGCSA-N 0 0 233.355 3.870 20 0 BHADRN CCCc1ccc(NC(=O)[C@@H](C)C(C)C)cc1 ZINC000733093783 584943238 /nfs/dbraw/zinc/94/32/38/584943238.db2.gz XHFRYPQFNQIUAE-LBPRGKRZSA-N 0 0 233.355 3.870 20 0 BHADRN CC(C)[C@@H](C)C(=O)OCc1cc2ccccc2o1 ZINC000733094210 584943170 /nfs/dbraw/zinc/94/31/70/584943170.db2.gz XUMZHASEMUIKEA-LLVKDONJSA-N 0 0 246.306 3.768 20 0 BHADRN CC(C)[C@H](C)C(=O)OCc1cc2ccccc2o1 ZINC000733094211 584943228 /nfs/dbraw/zinc/94/32/28/584943228.db2.gz XUMZHASEMUIKEA-NSHDSACASA-N 0 0 246.306 3.768 20 0 BHADRN CC(C)[C@@H](C)C(=O)NCC1CCCCCCC1 ZINC000733097801 584943112 /nfs/dbraw/zinc/94/31/12/584943112.db2.gz XYNIKHJERXITSU-CYBMUJFWSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)[C@H](C)C(=O)NCC1CCCCCCC1 ZINC000733097802 584943174 /nfs/dbraw/zinc/94/31/74/584943174.db2.gz XYNIKHJERXITSU-ZDUSSCGKSA-N 0 0 239.403 3.755 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)C(C)C)cc1C ZINC000733098016 584943194 /nfs/dbraw/zinc/94/31/94/584943194.db2.gz HLNXFAARFRUIKS-CYBMUJFWSA-N 0 0 233.355 3.558 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)C(C)C)cc1C ZINC000733098017 584943162 /nfs/dbraw/zinc/94/31/62/584943162.db2.gz HLNXFAARFRUIKS-ZDUSSCGKSA-N 0 0 233.355 3.558 20 0 BHADRN CC(C)[C@@H](C)C(=O)N(C)C1CCCCCCC1 ZINC000733099488 584943255 /nfs/dbraw/zinc/94/32/55/584943255.db2.gz WAODALMWUXIGFF-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)[C@H](C)C(=O)N(C)C1CCCCCCC1 ZINC000733099489 584943250 /nfs/dbraw/zinc/94/32/50/584943250.db2.gz WAODALMWUXIGFF-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)C(C)C)s1 ZINC000733099983 584943384 /nfs/dbraw/zinc/94/33/84/584943384.db2.gz VXZAMYLYPDAERC-GHMZBOCLSA-N 0 0 239.384 3.526 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)[C@H](C)C(C)C)s1 ZINC000733099984 584943366 /nfs/dbraw/zinc/94/33/66/584943366.db2.gz VXZAMYLYPDAERC-MNOVXSKESA-N 0 0 239.384 3.526 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)C(C)C)s1 ZINC000733099985 584943279 /nfs/dbraw/zinc/94/32/79/584943279.db2.gz VXZAMYLYPDAERC-QWRGUYRKSA-N 0 0 239.384 3.526 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)C(C)C)s1 ZINC000733099986 584943333 /nfs/dbraw/zinc/94/33/33/584943333.db2.gz VXZAMYLYPDAERC-WDEREUQCSA-N 0 0 239.384 3.526 20 0 BHADRN CCC[C@H](C)C(=O)N[C@@](C)(CC)c1ccccc1 ZINC000733104383 584943310 /nfs/dbraw/zinc/94/33/10/584943310.db2.gz ATAXHHKRYRSIFZ-BBRMVZONSA-N 0 0 247.382 3.864 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@@](C)(CC)c1ccccc1 ZINC000733104384 584943416 /nfs/dbraw/zinc/94/34/16/584943416.db2.gz ATAXHHKRYRSIFZ-CJNGLKHVSA-N 0 0 247.382 3.864 20 0 BHADRN CCC[C@@H](C)C(=O)N[C@](C)(CC)c1ccccc1 ZINC000733104386 584943286 /nfs/dbraw/zinc/94/32/86/584943286.db2.gz ATAXHHKRYRSIFZ-CZUORRHYSA-N 0 0 247.382 3.864 20 0 BHADRN CCC[C@H](C)C(=O)N[C@](C)(CC)c1ccccc1 ZINC000733104387 584943377 /nfs/dbraw/zinc/94/33/77/584943377.db2.gz ATAXHHKRYRSIFZ-XJKSGUPXSA-N 0 0 247.382 3.864 20 0 BHADRN CC[C@](C)(NC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000733104420 584943404 /nfs/dbraw/zinc/94/34/04/584943404.db2.gz BOYZBHUBUUGILX-BBRMVZONSA-N 0 0 247.382 3.720 20 0 BHADRN CC[C@](C)(NC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC000733104422 584943368 /nfs/dbraw/zinc/94/33/68/584943368.db2.gz BOYZBHUBUUGILX-CJNGLKHVSA-N 0 0 247.382 3.720 20 0 BHADRN CC[C@@](C)(NC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC000733104424 584943275 /nfs/dbraw/zinc/94/32/75/584943275.db2.gz BOYZBHUBUUGILX-CZUORRHYSA-N 0 0 247.382 3.720 20 0 BHADRN CC[C@@](C)(NC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000733104425 584943292 /nfs/dbraw/zinc/94/32/92/584943292.db2.gz BOYZBHUBUUGILX-XJKSGUPXSA-N 0 0 247.382 3.720 20 0 BHADRN CCC(C)(CC)NC(=O)/C=C\c1ccccc1F ZINC000733110856 584943336 /nfs/dbraw/zinc/94/33/36/584943336.db2.gz GNVJEWLOVQDVMJ-KHPPLWFESA-N 0 0 249.329 3.534 20 0 BHADRN CCC(C)(CC)NC(=O)/C=C/c1ccccc1F ZINC000733110860 584943376 /nfs/dbraw/zinc/94/33/76/584943376.db2.gz GNVJEWLOVQDVMJ-ZHACJKMWSA-N 0 0 249.329 3.534 20 0 BHADRN CCC(C)(CC)NC(=O)/C=C\c1cccc(F)c1 ZINC000733110951 584943350 /nfs/dbraw/zinc/94/33/50/584943350.db2.gz LDBJVXCREXQFCT-KTKRTIGZSA-N 0 0 249.329 3.534 20 0 BHADRN CCC(C)(CC)NC(=O)/C=C/c1cccc(F)c1 ZINC000733110953 584943423 /nfs/dbraw/zinc/94/34/23/584943423.db2.gz LDBJVXCREXQFCT-MDZDMXLPSA-N 0 0 249.329 3.534 20 0 BHADRN CCC(C)(CC)NC(=O)C=C1CCCCC1 ZINC000733111106 584943274 /nfs/dbraw/zinc/94/32/74/584943274.db2.gz MYUBPHCOVHEHGS-UHFFFAOYSA-N 0 0 223.360 3.572 20 0 BHADRN CCC(C)(CC)NC(=O)/C=C(\C)c1ccccc1 ZINC000733111369 584943346 /nfs/dbraw/zinc/94/33/46/584943346.db2.gz VSYCMYQQHJTIDI-OUKQBFOZSA-N 0 0 245.366 3.785 20 0 BHADRN CCC(C)(CC)NC(=O)/C=C(/C)c1ccccc1 ZINC000733111370 584943421 /nfs/dbraw/zinc/94/34/21/584943421.db2.gz VSYCMYQQHJTIDI-SEYXRHQNSA-N 0 0 245.366 3.785 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C=C2CCCCC2)[C@@H](C)C1 ZINC000733114157 584943343 /nfs/dbraw/zinc/94/33/43/584943343.db2.gz KWEYJMQLUKVZID-IPYPFGDCSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC000733114159 584943372 /nfs/dbraw/zinc/94/33/72/584943372.db2.gz KWEYJMQLUKVZID-NFAWXSAZSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC000733114160 584943355 /nfs/dbraw/zinc/94/33/55/584943355.db2.gz KWEYJMQLUKVZID-UMVBOHGHSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CC[C@@H](NC(=O)C=C2CCCCC2)[C@@H](C)C1 ZINC000733114161 584943406 /nfs/dbraw/zinc/94/34/06/584943406.db2.gz KWEYJMQLUKVZID-VNHYZAJKSA-N 0 0 249.398 3.818 20 0 BHADRN CCCCCCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000733115694 584943335 /nfs/dbraw/zinc/94/33/35/584943335.db2.gz XYGFRHDSWQGUKC-BFHYXJOUSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000733115697 584943326 /nfs/dbraw/zinc/94/33/26/584943326.db2.gz XYGFRHDSWQGUKC-HZSPNIEDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCCC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000733115700 584943382 /nfs/dbraw/zinc/94/33/82/584943382.db2.gz XYGFRHDSWQGUKC-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000733115701 584943339 /nfs/dbraw/zinc/94/33/39/584943339.db2.gz XYGFRHDSWQGUKC-MGPQQGTHSA-N 0 0 239.403 3.898 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000733116165 584943378 /nfs/dbraw/zinc/94/33/78/584943378.db2.gz ZOMIHOSZLDTFBA-FLLGMSFISA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000733116167 584943432 /nfs/dbraw/zinc/94/34/32/584943432.db2.gz ZOMIHOSZLDTFBA-HYIALHFSSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000733116168 584943351 /nfs/dbraw/zinc/94/33/51/584943351.db2.gz ZOMIHOSZLDTFBA-RDXWKTGZSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000733116170 584943362 /nfs/dbraw/zinc/94/33/62/584943362.db2.gz ZOMIHOSZLDTFBA-VRDJSOLYSA-N 0 0 237.387 3.674 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)[C@H](C)C(C)C ZINC000733126612 584943617 /nfs/dbraw/zinc/94/36/17/584943617.db2.gz BFVYSOZVGDTCPM-CHWSQXEVSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)[C@@H](C)C(C)C ZINC000733126613 584943475 /nfs/dbraw/zinc/94/34/75/584943475.db2.gz BFVYSOZVGDTCPM-OLZOCXBDSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@H](C)C(C)C ZINC000733126614 584943469 /nfs/dbraw/zinc/94/34/69/584943469.db2.gz BFVYSOZVGDTCPM-QWHCGFSZSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@@H](C)C(C)C ZINC000733126615 584943531 /nfs/dbraw/zinc/94/35/31/584943531.db2.gz BFVYSOZVGDTCPM-STQMWFEESA-N 0 0 227.392 3.754 20 0 BHADRN C[C@@H](CC(=O)Nc1ccc2[nH]ccc2c1)C1CC1 ZINC000733126911 584943569 /nfs/dbraw/zinc/94/35/69/584943569.db2.gz KIWDJJDHKHDUBE-JTQLQIEISA-N 0 0 242.322 3.543 20 0 BHADRN C[C@H](CC(=O)Nc1ccc2[nH]ccc2c1)C1CC1 ZINC000733126912 584943536 /nfs/dbraw/zinc/94/35/36/584943536.db2.gz KIWDJJDHKHDUBE-SNVBAGLBSA-N 0 0 242.322 3.543 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc2[nH]ccc2c1 ZINC000733127665 584943552 /nfs/dbraw/zinc/94/35/52/584943552.db2.gz SBFGTXKIXCBJCX-LUAWRHEFSA-N 0 0 242.322 3.853 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc2[nH]ccc2c1 ZINC000733127667 584943607 /nfs/dbraw/zinc/94/36/07/584943607.db2.gz SBFGTXKIXCBJCX-PKNBQFBNSA-N 0 0 242.322 3.853 20 0 BHADRN O=C(C=C1CCCC1)Nc1ccc2[nH]ccc2c1 ZINC000733127727 584943612 /nfs/dbraw/zinc/94/36/12/584943612.db2.gz VSCIIBCRDYIMNL-UHFFFAOYSA-N 0 0 240.306 3.607 20 0 BHADRN CCc1ccc(C(=O)NC(C)(CC)CC)s1 ZINC000733177415 642330509 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0 0 232.352 3.649 20 0 BHADRN CC1(C)CN(c2nccs2)[C@@H]1c1ccccc1 ZINC000733188202 584945169 /nfs/dbraw/zinc/94/51/69/584945169.db2.gz LEBUMLBXTGOYKS-GFCCVEGCSA-N 0 0 244.363 3.731 20 0 BHADRN CC1(C)CN(c2nccs2)[C@H]1c1ccccc1 ZINC000733188203 584945181 /nfs/dbraw/zinc/94/51/81/584945181.db2.gz LEBUMLBXTGOYKS-LBPRGKRZSA-N 0 0 244.363 3.731 20 0 BHADRN Cc1ccc([C@@H](C)N(C)c2nccs2)c(C)c1 ZINC000733188647 584945222 /nfs/dbraw/zinc/94/52/22/584945222.db2.gz VJYNCZUVCDHVGD-GFCCVEGCSA-N 0 0 246.379 3.957 20 0 BHADRN Cc1ccc([C@H](C)N(C)c2nccs2)c(C)c1 ZINC000733188648 584945237 /nfs/dbraw/zinc/94/52/37/584945237.db2.gz VJYNCZUVCDHVGD-LBPRGKRZSA-N 0 0 246.379 3.957 20 0 BHADRN Cc1ccccc1CN(c1nccs1)C1CC1 ZINC000733188952 584945230 /nfs/dbraw/zinc/94/52/30/584945230.db2.gz SZCIPBOMCUAVDF-UHFFFAOYSA-N 0 0 244.363 3.621 20 0 BHADRN CN(c1nccs1)C1CCCCCCC1 ZINC000733189047 584945266 /nfs/dbraw/zinc/94/52/66/584945266.db2.gz XXDVDEOQCJQWTK-UHFFFAOYSA-N 0 0 224.373 3.692 20 0 BHADRN c1csc(Nc2ccc(OCC3CC3)cc2)n1 ZINC000733189166 584945210 /nfs/dbraw/zinc/94/52/10/584945210.db2.gz DWIKJEGMCQDMST-UHFFFAOYSA-N 0 0 246.335 3.676 20 0 BHADRN CC(C)CSCc1ncc(C(C)C)o1 ZINC000733207120 584945333 /nfs/dbraw/zinc/94/53/33/584945333.db2.gz IWKOBTVZGGQWOF-UHFFFAOYSA-N 0 0 213.346 3.687 20 0 BHADRN Cc1ccc(SCc2ncc(C(C)C)o2)nc1 ZINC000733207528 584945361 /nfs/dbraw/zinc/94/53/61/584945361.db2.gz IZFQNLPJQGUSLB-UHFFFAOYSA-N 0 0 248.351 3.794 20 0 BHADRN CC(C)c1cnc(CSC2CCCC2)o1 ZINC000733208065 584945288 /nfs/dbraw/zinc/94/52/88/584945288.db2.gz YITUCUBCIZCMEZ-UHFFFAOYSA-N 0 0 225.357 3.974 20 0 BHADRN CCCCCCNC(=O)c1coc2ccccc12 ZINC000733211961 643266767 /nfs/dbraw/zinc/26/67/67/643266767.db2.gz GBXVCNZKYKIIAE-UHFFFAOYSA-N 0 0 245.322 3.743 20 0 BHADRN O=C(OC1CCCC1)c1coc2ccccc12 ZINC000733213581 711903668 /nfs/dbraw/zinc/90/36/68/711903668.db2.gz JZHIIXSUFBSVGR-UHFFFAOYSA-N 0 0 230.263 3.532 20 0 BHADRN O=C(Oc1ccccc1)c1coc2ccccc12 ZINC000733213955 711903721 /nfs/dbraw/zinc/90/37/21/711903721.db2.gz WGBAWXUNZVWYCF-UHFFFAOYSA-N 0 0 238.242 3.652 20 0 BHADRN CC(C)=CC(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000733223248 643267645 /nfs/dbraw/zinc/26/76/45/643267645.db2.gz RXFBRKLYCCJWDC-UHFFFAOYSA-N 0 0 237.730 3.577 20 0 BHADRN C/C=C/C=C\C(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000733223957 643268437 /nfs/dbraw/zinc/26/84/37/643268437.db2.gz MZUKTEUWTGGHFV-DEQVHDEQSA-N 0 0 249.741 3.744 20 0 BHADRN CCCCN(Cc1ncc(C(C)C)o1)C1CC1 ZINC000733306555 584947003 /nfs/dbraw/zinc/94/70/03/584947003.db2.gz DESKDDXKVUOONR-UHFFFAOYSA-N 0 0 236.359 3.563 20 0 BHADRN CC(C)c1cnc(CN(C)[C@H](C)c2ccco2)o1 ZINC000733308528 584946873 /nfs/dbraw/zinc/94/68/73/584946873.db2.gz LMXPGDANNRRYFI-LLVKDONJSA-N 0 0 248.326 3.584 20 0 BHADRN CC(C)c1cnc(CN(C)[C@@H](C)c2ccco2)o1 ZINC000733308529 584946957 /nfs/dbraw/zinc/94/69/57/584946957.db2.gz LMXPGDANNRRYFI-NSHDSACASA-N 0 0 248.326 3.584 20 0 BHADRN CCN(Cc1ncc(C(C)C)o1)c1ccccc1 ZINC000733308626 584946888 /nfs/dbraw/zinc/94/68/88/584946888.db2.gz NXQNJUVHZQNLEH-UHFFFAOYSA-N 0 0 244.338 3.825 20 0 BHADRN CC(C)c1cnc(CN(C)c2ccc(F)cc2)o1 ZINC000733308642 584946903 /nfs/dbraw/zinc/94/69/03/584946903.db2.gz OGNSOURUMNZNLT-UHFFFAOYSA-N 0 0 248.301 3.574 20 0 BHADRN Cc1ccc(N(C)Cc2ncc(C(C)C)o2)cc1 ZINC000733309087 584946726 /nfs/dbraw/zinc/94/67/26/584946726.db2.gz ABLWIMHFDGWOSI-UHFFFAOYSA-N 0 0 244.338 3.743 20 0 BHADRN Cc1cccc(N(C)Cc2ncc(C(C)C)o2)c1 ZINC000733309185 584946812 /nfs/dbraw/zinc/94/68/12/584946812.db2.gz DSOZFLXACUDQNH-UHFFFAOYSA-N 0 0 244.338 3.743 20 0 BHADRN CC(C)c1cnc(CN(C)c2ccccc2F)o1 ZINC000733309573 584946749 /nfs/dbraw/zinc/94/67/49/584946749.db2.gz UTQNDEWWFRVZDW-UHFFFAOYSA-N 0 0 248.301 3.574 20 0 BHADRN Cc1ccc(N(C)CCOC(C)C)cc1Cl ZINC000733311063 584946927 /nfs/dbraw/zinc/94/69/27/584946927.db2.gz OPKOLWJDCDUEHQ-UHFFFAOYSA-N 0 0 241.762 3.510 20 0 BHADRN Cc1ccoc1C(=O)Oc1ccc(C(C)C)cc1 ZINC000733313652 584946706 /nfs/dbraw/zinc/94/67/06/584946706.db2.gz ZNGGWNLYOQISRC-UHFFFAOYSA-N 0 0 244.290 3.931 20 0 BHADRN C[C@@H](CC(=O)O[C@@H]1C=CCCC1)c1ccccc1 ZINC000733372775 584947351 /nfs/dbraw/zinc/94/73/51/584947351.db2.gz AUCQWBYHALRJFB-DZGCQCFKSA-N 0 0 244.334 3.832 20 0 BHADRN C[C@H](CC(=O)O[C@H]1C=CCCC1)c1ccccc1 ZINC000733372777 584947310 /nfs/dbraw/zinc/94/73/10/584947310.db2.gz AUCQWBYHALRJFB-HIFRSBDPSA-N 0 0 244.334 3.832 20 0 BHADRN C[C@H](CC(=O)O[C@@H]1C=CCCC1)c1ccccc1 ZINC000733372779 584947355 /nfs/dbraw/zinc/94/73/55/584947355.db2.gz AUCQWBYHALRJFB-UKRRQHHQSA-N 0 0 244.334 3.832 20 0 BHADRN C[C@@H](CC(=O)O[C@H]1C=CCCC1)c1ccccc1 ZINC000733372781 584947352 /nfs/dbraw/zinc/94/73/52/584947352.db2.gz AUCQWBYHALRJFB-ZFWWWQNUSA-N 0 0 244.334 3.832 20 0 BHADRN O=C(O[C@@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000733373173 584947356 /nfs/dbraw/zinc/94/73/56/584947356.db2.gz GXQNMRQMUKQSJO-MRVPVSSYSA-N 0 0 242.727 3.667 20 0 BHADRN O=C(O[C@H]1C=CCCC1)c1ccc(Cl)s1 ZINC000733373174 584947347 /nfs/dbraw/zinc/94/73/47/584947347.db2.gz GXQNMRQMUKQSJO-QMMMGPOBSA-N 0 0 242.727 3.667 20 0 BHADRN O=C(O[C@@H]1C=CCCC1)c1cc2ccccc2o1 ZINC000733374420 643338403 /nfs/dbraw/zinc/33/84/03/643338403.db2.gz JHFXXBOZTVUUJT-GFCCVEGCSA-N 0 0 242.274 3.698 20 0 BHADRN O=C(O[C@H]1C=CCCC1)c1cc2ccccc2o1 ZINC000733374422 643338335 /nfs/dbraw/zinc/33/83/35/643338335.db2.gz JHFXXBOZTVUUJT-LBPRGKRZSA-N 0 0 242.274 3.698 20 0 BHADRN O=C(O[C@@H]1C=CCCC1)c1cc2c(s1)CCC2 ZINC000733375722 584947353 /nfs/dbraw/zinc/94/73/53/584947353.db2.gz FYLRBQLBBZFCEE-LLVKDONJSA-N 0 0 248.347 3.502 20 0 BHADRN O=C(O[C@H]1C=CCCC1)c1cc2c(s1)CCC2 ZINC000733375723 584947391 /nfs/dbraw/zinc/94/73/91/584947391.db2.gz FYLRBQLBBZFCEE-NSHDSACASA-N 0 0 248.347 3.502 20 0 BHADRN CC[C@@H](OC(=O)C=C(C)C)c1ccccc1 ZINC000733384223 584947745 /nfs/dbraw/zinc/94/77/45/584947745.db2.gz CCWPGICHIUGFKE-CYBMUJFWSA-N 0 0 218.296 3.647 20 0 BHADRN CC[C@H](OC(=O)C=C(C)C)c1ccccc1 ZINC000733384224 584947773 /nfs/dbraw/zinc/94/77/73/584947773.db2.gz CCWPGICHIUGFKE-ZDUSSCGKSA-N 0 0 218.296 3.647 20 0 BHADRN CC[C@@H](OC(=O)c1ccc(C)o1)c1ccccc1 ZINC000733385315 584947870 /nfs/dbraw/zinc/94/78/70/584947870.db2.gz NYVAZUVARVLUAF-CYBMUJFWSA-N 0 0 244.290 3.896 20 0 BHADRN CC[C@H](OC(=O)c1ccc(C)o1)c1ccccc1 ZINC000733385316 584947885 /nfs/dbraw/zinc/94/78/85/584947885.db2.gz NYVAZUVARVLUAF-ZDUSSCGKSA-N 0 0 244.290 3.896 20 0 BHADRN CC[C@H](C(=O)O[C@@H]1C=CCCC1)c1ccccc1 ZINC000733385562 584947890 /nfs/dbraw/zinc/94/78/90/584947890.db2.gz QEGAKRJBZYNXDL-CABCVRRESA-N 0 0 244.334 3.832 20 0 BHADRN CC[C@H](C(=O)O[C@H]1C=CCCC1)c1ccccc1 ZINC000733385564 584947929 /nfs/dbraw/zinc/94/79/29/584947929.db2.gz QEGAKRJBZYNXDL-GJZGRUSLSA-N 0 0 244.334 3.832 20 0 BHADRN CC[C@@H](C(=O)O[C@@H]1C=CCCC1)c1ccccc1 ZINC000733385565 584947855 /nfs/dbraw/zinc/94/78/55/584947855.db2.gz QEGAKRJBZYNXDL-HUUCEWRRSA-N 0 0 244.334 3.832 20 0 BHADRN CC[C@@H](C(=O)O[C@H]1C=CCCC1)c1ccccc1 ZINC000733385566 584947891 /nfs/dbraw/zinc/94/78/91/584947891.db2.gz QEGAKRJBZYNXDL-LSDHHAIUSA-N 0 0 244.334 3.832 20 0 BHADRN O=C(CC1CCCCC1)O[C@@H]1C=CCCC1 ZINC000733387375 643337928 /nfs/dbraw/zinc/33/79/28/643337928.db2.gz RMJLNLBVWWRBOO-CYBMUJFWSA-N 0 0 222.328 3.609 20 0 BHADRN O=C(CC1CCCCC1)O[C@H]1C=CCCC1 ZINC000733387376 643338157 /nfs/dbraw/zinc/33/81/57/643338157.db2.gz RMJLNLBVWWRBOO-ZDUSSCGKSA-N 0 0 222.328 3.609 20 0 BHADRN CC[C@H](OC(=O)C1CCCC1)c1ccccc1 ZINC000733387981 643338165 /nfs/dbraw/zinc/33/81/65/643338165.db2.gz LORUYGWBLUYQFK-AWEZNQCLSA-N 0 0 232.323 3.871 20 0 BHADRN CC[C@@H](OC(=O)C1CCCC1)c1ccccc1 ZINC000733387982 643337920 /nfs/dbraw/zinc/33/79/20/643337920.db2.gz LORUYGWBLUYQFK-CQSZACIVSA-N 0 0 232.323 3.871 20 0 BHADRN O=C(O[C@H]1C=CCCC1)c1ccccc1Cl ZINC000733388178 643338895 /nfs/dbraw/zinc/33/88/95/643338895.db2.gz RKDCTSVGPAUREY-JTQLQIEISA-N 0 0 236.698 3.606 20 0 BHADRN O=C(O[C@@H]1C=CCCC1)c1ccccc1Cl ZINC000733388183 643338347 /nfs/dbraw/zinc/33/83/47/643338347.db2.gz RKDCTSVGPAUREY-SNVBAGLBSA-N 0 0 236.698 3.606 20 0 BHADRN CCC(=O)O[C@H](CC)c1ccc(Cl)cc1 ZINC000733388620 643338037 /nfs/dbraw/zinc/33/80/37/643338037.db2.gz 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C/C=C/C=C/C(=O)O[C@H](CC)c1ccccc1 ZINC000733392184 584947669 /nfs/dbraw/zinc/94/76/69/584947669.db2.gz USAPFPPWYHBJQK-IRKXFWLVSA-N 0 0 230.307 3.813 20 0 BHADRN C/C=C/C=C\C(=O)O[C@@H](CC)c1ccccc1 ZINC000733392185 584947821 /nfs/dbraw/zinc/94/78/21/584947821.db2.gz USAPFPPWYHBJQK-OCZPHEHWSA-N 0 0 230.307 3.813 20 0 BHADRN C/C=C/C=C/C(=O)O[C@@H](CC)c1ccccc1 ZINC000733392186 584947838 /nfs/dbraw/zinc/94/78/38/584947838.db2.gz USAPFPPWYHBJQK-WBBFKRNCSA-N 0 0 230.307 3.813 20 0 BHADRN Cc1cccc(C(=O)O[C@@H]2C=CCCC2)c1C ZINC000733392243 584947717 /nfs/dbraw/zinc/94/77/17/584947717.db2.gz VTQUTQKXBTWESX-CYBMUJFWSA-N 0 0 230.307 3.569 20 0 BHADRN Cc1cccc(C(=O)O[C@H]2C=CCCC2)c1C ZINC000733392244 584947792 /nfs/dbraw/zinc/94/77/92/584947792.db2.gz VTQUTQKXBTWESX-ZDUSSCGKSA-N 0 0 230.307 3.569 20 0 BHADRN Cc1ccc(C(=O)O[C@@H]2C=CCCC2)c(C)c1 ZINC000733392978 584947794 /nfs/dbraw/zinc/94/77/94/584947794.db2.gz JYZLNFSRGCCFHG-CYBMUJFWSA-N 0 0 230.307 3.569 20 0 BHADRN Cc1ccc(C(=O)O[C@H]2C=CCCC2)c(C)c1 ZINC000733392979 584947842 /nfs/dbraw/zinc/94/78/42/584947842.db2.gz JYZLNFSRGCCFHG-ZDUSSCGKSA-N 0 0 230.307 3.569 20 0 BHADRN Cc1ccc(C(=O)O[C@H]2C=CCCC2)cc1C ZINC000733393272 584947737 /nfs/dbraw/zinc/94/77/37/584947737.db2.gz GJFFVVJVNCNTMC-AWEZNQCLSA-N 0 0 230.307 3.569 20 0 BHADRN Cc1ccc(C(=O)O[C@@H]2C=CCCC2)cc1C ZINC000733393273 584947739 /nfs/dbraw/zinc/94/77/39/584947739.db2.gz GJFFVVJVNCNTMC-CQSZACIVSA-N 0 0 230.307 3.569 20 0 BHADRN CSc1ccccc1C(=O)O[C@@H]1C=CCCC1 ZINC000733395143 584947765 /nfs/dbraw/zinc/94/77/65/584947765.db2.gz NRYWELPXNCIBET-LLVKDONJSA-N 0 0 248.347 3.674 20 0 BHADRN CSc1ccccc1C(=O)O[C@H]1C=CCCC1 ZINC000733395144 584947688 /nfs/dbraw/zinc/94/76/88/584947688.db2.gz NRYWELPXNCIBET-NSHDSACASA-N 0 0 248.347 3.674 20 0 BHADRN CC[C@@H](OC(=O)c1occc1C)c1ccccc1 ZINC000733404951 584947916 /nfs/dbraw/zinc/94/79/16/584947916.db2.gz XJEAOHUSFHPRBS-CYBMUJFWSA-N 0 0 244.290 3.896 20 0 BHADRN CC[C@H](OC(=O)c1occc1C)c1ccccc1 ZINC000733404952 584947946 /nfs/dbraw/zinc/94/79/46/584947946.db2.gz XJEAOHUSFHPRBS-ZDUSSCGKSA-N 0 0 244.290 3.896 20 0 BHADRN Cc1cccc(CCC(=O)O[C@H]2C=CCCC2)c1 ZINC000733409095 584948053 /nfs/dbraw/zinc/94/80/53/584948053.db2.gz ITKNXZPAOHISEF-HNNXBMFYSA-N 0 0 244.334 3.580 20 0 BHADRN Cc1cccc(CCC(=O)O[C@@H]2C=CCCC2)c1 ZINC000733409096 584948038 /nfs/dbraw/zinc/94/80/38/584948038.db2.gz ITKNXZPAOHISEF-OAHLLOKOSA-N 0 0 244.334 3.580 20 0 BHADRN Cc1ccc(CCC(=O)O[C@H]2C=CCCC2)cc1 ZINC000733410064 584948192 /nfs/dbraw/zinc/94/81/92/584948192.db2.gz SRUFKMIOMBVHPO-HNNXBMFYSA-N 0 0 244.334 3.580 20 0 BHADRN Cc1ccc(CCC(=O)O[C@@H]2C=CCCC2)cc1 ZINC000733410066 584948055 /nfs/dbraw/zinc/94/80/55/584948055.db2.gz SRUFKMIOMBVHPO-OAHLLOKOSA-N 0 0 244.334 3.580 20 0 BHADRN CC(C)(C(=O)O[C@H]1C=CCCC1)c1ccccc1 ZINC000733410952 584948137 /nfs/dbraw/zinc/94/81/37/584948137.db2.gz DOUWSEYWZMWDQK-AWEZNQCLSA-N 0 0 244.334 3.616 20 0 BHADRN CC(C)(C(=O)O[C@@H]1C=CCCC1)c1ccccc1 ZINC000733410953 584948153 /nfs/dbraw/zinc/94/81/53/584948153.db2.gz DOUWSEYWZMWDQK-CQSZACIVSA-N 0 0 244.334 3.616 20 0 BHADRN CSc1ccc(C(=O)O[C@@H]2C=CCCC2)cc1 ZINC000733417980 584948307 /nfs/dbraw/zinc/94/83/07/584948307.db2.gz GWWUNTDVHHGROC-GFCCVEGCSA-N 0 0 248.347 3.674 20 0 BHADRN CSc1ccc(C(=O)O[C@H]2C=CCCC2)cc1 ZINC000733417981 584948287 /nfs/dbraw/zinc/94/82/87/584948287.db2.gz GWWUNTDVHHGROC-LBPRGKRZSA-N 0 0 248.347 3.674 20 0 BHADRN CC[C@H](OC(=O)c1ccoc1C)c1ccccc1 ZINC000733420027 643401337 /nfs/dbraw/zinc/40/13/37/643401337.db2.gz YNVALIKYOIBXOR-AWEZNQCLSA-N 0 0 244.290 3.896 20 0 BHADRN CC[C@@H](OC(=O)c1ccoc1C)c1ccccc1 ZINC000733420028 643402109 /nfs/dbraw/zinc/40/21/09/643402109.db2.gz YNVALIKYOIBXOR-CQSZACIVSA-N 0 0 244.290 3.896 20 0 BHADRN Cc1cc(C(=O)O[C@@H]2C=CCCC2)c(C)s1 ZINC000733420515 643402100 /nfs/dbraw/zinc/40/21/00/643402100.db2.gz QJCYNHMOPRAWMY-LLVKDONJSA-N 0 0 236.336 3.630 20 0 BHADRN Cc1cc(C(=O)O[C@H]2C=CCCC2)c(C)s1 ZINC000733420522 584948366 /nfs/dbraw/zinc/94/83/66/584948366.db2.gz QJCYNHMOPRAWMY-NSHDSACASA-N 0 0 236.336 3.630 20 0 BHADRN O=C(CCCc1ccccc1)O[C@H]1C=CCCC1 ZINC000733447098 584948804 /nfs/dbraw/zinc/94/88/04/584948804.db2.gz OSQGFFQKDMYFDJ-HNNXBMFYSA-N 0 0 244.334 3.661 20 0 BHADRN O=C(CCCc1ccccc1)O[C@@H]1C=CCCC1 ZINC000733447100 584948844 /nfs/dbraw/zinc/94/88/44/584948844.db2.gz OSQGFFQKDMYFDJ-OAHLLOKOSA-N 0 0 244.334 3.661 20 0 BHADRN CCCC[C@@H](CC)C(=O)O[C@@H]1C=CCCC1 ZINC000733450692 584949256 /nfs/dbraw/zinc/94/92/56/584949256.db2.gz BPIPBGSTFVIZIS-CHWSQXEVSA-N 0 0 224.344 3.855 20 0 BHADRN CCCC[C@@H](CC)C(=O)O[C@H]1C=CCCC1 ZINC000733450693 584949125 /nfs/dbraw/zinc/94/91/25/584949125.db2.gz BPIPBGSTFVIZIS-OLZOCXBDSA-N 0 0 224.344 3.855 20 0 BHADRN CCCC[C@H](CC)C(=O)O[C@@H]1C=CCCC1 ZINC000733450694 584949161 /nfs/dbraw/zinc/94/91/61/584949161.db2.gz BPIPBGSTFVIZIS-QWHCGFSZSA-N 0 0 224.344 3.855 20 0 BHADRN CCCC[C@H](CC)C(=O)O[C@H]1C=CCCC1 ZINC000733450695 584949290 /nfs/dbraw/zinc/94/92/90/584949290.db2.gz BPIPBGSTFVIZIS-STQMWFEESA-N 0 0 224.344 3.855 20 0 BHADRN Cc1cc(C(=O)O[C@@H]2C=CCCC2)sc1C ZINC000733450775 584949141 /nfs/dbraw/zinc/94/91/41/584949141.db2.gz XERBJRDTMRMPGK-LLVKDONJSA-N 0 0 236.336 3.630 20 0 BHADRN Cc1cc(C(=O)O[C@H]2C=CCCC2)sc1C ZINC000733450778 584949267 /nfs/dbraw/zinc/94/92/67/584949267.db2.gz XERBJRDTMRMPGK-NSHDSACASA-N 0 0 236.336 3.630 20 0 BHADRN CCCCCCC(=O)O[C@@H]1C=CCCC1 ZINC000733451223 584949318 /nfs/dbraw/zinc/94/93/18/584949318.db2.gz IXTWRDAOCRSWJQ-GFCCVEGCSA-N 0 0 210.317 3.609 20 0 BHADRN CCCCCCC(=O)O[C@H]1C=CCCC1 ZINC000733451224 584949381 /nfs/dbraw/zinc/94/93/81/584949381.db2.gz IXTWRDAOCRSWJQ-LBPRGKRZSA-N 0 0 210.317 3.609 20 0 BHADRN C/C(=C\C(=O)O[C@H]1C=CCCC1)c1ccccc1 ZINC000733456906 584949485 /nfs/dbraw/zinc/94/94/85/584949485.db2.gz FAYMSBSHEQXDOR-LHNRBYRGSA-N 0 0 242.318 3.742 20 0 BHADRN C/C(=C/C(=O)O[C@H]1C=CCCC1)c1ccccc1 ZINC000733456907 584949310 /nfs/dbraw/zinc/94/93/10/584949310.db2.gz FAYMSBSHEQXDOR-LLNWESEBSA-N 0 0 242.318 3.742 20 0 BHADRN C/C(=C\C(=O)O[C@@H]1C=CCCC1)c1ccccc1 ZINC000733456908 584949340 /nfs/dbraw/zinc/94/93/40/584949340.db2.gz FAYMSBSHEQXDOR-RDRICISKSA-N 0 0 242.318 3.742 20 0 BHADRN C/C(=C/C(=O)O[C@@H]1C=CCCC1)c1ccccc1 ZINC000733456909 584949424 /nfs/dbraw/zinc/94/94/24/584949424.db2.gz FAYMSBSHEQXDOR-WIDZWVOGSA-N 0 0 242.318 3.742 20 0 BHADRN CCc1ccsc1C(=O)O[C@@H]1C=CCCC1 ZINC000733460786 584948992 /nfs/dbraw/zinc/94/89/92/584948992.db2.gz KRCYNMQVKOHMLI-LLVKDONJSA-N 0 0 236.336 3.576 20 0 BHADRN CCc1ccsc1C(=O)O[C@H]1C=CCCC1 ZINC000733460788 584948958 /nfs/dbraw/zinc/94/89/58/584948958.db2.gz KRCYNMQVKOHMLI-NSHDSACASA-N 0 0 236.336 3.576 20 0 BHADRN CC[C@H](OC(=O)c1c[nH]cc1C)c1ccccc1 ZINC000733464542 584949260 /nfs/dbraw/zinc/94/92/60/584949260.db2.gz ZAUCBXYTHLXQSJ-AWEZNQCLSA-N 0 0 243.306 3.631 20 0 BHADRN CC[C@@H](OC(=O)c1c[nH]cc1C)c1ccccc1 ZINC000733464548 584949293 /nfs/dbraw/zinc/94/92/93/584949293.db2.gz ZAUCBXYTHLXQSJ-CQSZACIVSA-N 0 0 243.306 3.631 20 0 BHADRN O=C(C=C1CCCCC1)O[C@@H]1C=CCCC1 ZINC000733464571 584949131 /nfs/dbraw/zinc/94/91/31/584949131.db2.gz NZHZWOALHZYXBP-CYBMUJFWSA-N 0 0 220.312 3.529 20 0 BHADRN O=C(C=C1CCCCC1)O[C@H]1C=CCCC1 ZINC000733464572 584949119 /nfs/dbraw/zinc/94/91/19/584949119.db2.gz NZHZWOALHZYXBP-ZDUSSCGKSA-N 0 0 220.312 3.529 20 0 BHADRN C[C@@H](OC(=O)C=C1CCCCC1)c1cccnc1 ZINC000733464811 584949190 /nfs/dbraw/zinc/94/91/90/584949190.db2.gz WHEQVRNTULNCSO-GFCCVEGCSA-N 0 0 245.322 3.576 20 0 BHADRN C[C@H](OC(=O)C=C1CCCCC1)c1cccnc1 ZINC000733464812 584949239 /nfs/dbraw/zinc/94/92/39/584949239.db2.gz WHEQVRNTULNCSO-LBPRGKRZSA-N 0 0 245.322 3.576 20 0 BHADRN O=C(O[C@@H]1C=CCCC1)c1sccc1C1CC1 ZINC000733468244 584949532 /nfs/dbraw/zinc/94/95/32/584949532.db2.gz MAGULFIWWRWLOW-LLVKDONJSA-N 0 0 248.347 3.891 20 0 BHADRN O=C(O[C@H]1C=CCCC1)c1sccc1C1CC1 ZINC000733468246 584949559 /nfs/dbraw/zinc/94/95/59/584949559.db2.gz MAGULFIWWRWLOW-NSHDSACASA-N 0 0 248.347 3.891 20 0 BHADRN O=C(O[C@@H]1C=CCCC1)C1CCCCCC1 ZINC000733479947 584950261 /nfs/dbraw/zinc/95/02/61/584950261.db2.gz WZQMWUDVSOJDJJ-CYBMUJFWSA-N 0 0 222.328 3.609 20 0 BHADRN O=C(O[C@H]1C=CCCC1)C1CCCCCC1 ZINC000733479948 584950126 /nfs/dbraw/zinc/95/01/26/584950126.db2.gz WZQMWUDVSOJDJJ-ZDUSSCGKSA-N 0 0 222.328 3.609 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)O[C@@H]1C=CCCC1 ZINC000733481139 584950128 /nfs/dbraw/zinc/95/01/28/584950128.db2.gz LFDJGWJDVYFPAE-CHWSQXEVSA-N 0 0 224.344 3.711 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)O[C@H]1C=CCCC1 ZINC000733481140 584950291 /nfs/dbraw/zinc/95/02/91/584950291.db2.gz LFDJGWJDVYFPAE-OLZOCXBDSA-N 0 0 224.344 3.711 20 0 BHADRN CC(C)C[C@H](C)CC(=O)O[C@@H]1C=CCCC1 ZINC000733481141 584950144 /nfs/dbraw/zinc/95/01/44/584950144.db2.gz LFDJGWJDVYFPAE-QWHCGFSZSA-N 0 0 224.344 3.711 20 0 BHADRN CC(C)C[C@H](C)CC(=O)O[C@H]1C=CCCC1 ZINC000733481142 584950260 /nfs/dbraw/zinc/95/02/60/584950260.db2.gz LFDJGWJDVYFPAE-STQMWFEESA-N 0 0 224.344 3.711 20 0 BHADRN CC(C)(C)CCCC(=O)O[C@@H]1C=CCCC1 ZINC000733486211 584949723 /nfs/dbraw/zinc/94/97/23/584949723.db2.gz MJXVZYHZUCJKEV-GFCCVEGCSA-N 0 0 224.344 3.855 20 0 BHADRN CC(C)(C)CCCC(=O)O[C@H]1C=CCCC1 ZINC000733486212 584949815 /nfs/dbraw/zinc/94/98/15/584949815.db2.gz MJXVZYHZUCJKEV-LBPRGKRZSA-N 0 0 224.344 3.855 20 0 BHADRN CC(C)OCCCOC(=O)CCCC(C)(C)C ZINC000733486670 584949775 /nfs/dbraw/zinc/94/97/75/584949775.db2.gz VMHLYLFGAFPRLB-UHFFFAOYSA-N 0 0 244.375 3.561 20 0 BHADRN Cc1ccccc1CCC(=O)O[C@H]1C=CCCC1 ZINC000733487550 584949776 /nfs/dbraw/zinc/94/97/76/584949776.db2.gz NDGBAGJQKNBGDO-HNNXBMFYSA-N 0 0 244.334 3.580 20 0 BHADRN Cc1ccccc1CCC(=O)O[C@@H]1C=CCCC1 ZINC000733487551 584949754 /nfs/dbraw/zinc/94/97/54/584949754.db2.gz NDGBAGJQKNBGDO-OAHLLOKOSA-N 0 0 244.334 3.580 20 0 BHADRN CC[C@H](CC(=O)O[C@@H]1C=CCCC1)C(C)C ZINC000733488436 584949867 /nfs/dbraw/zinc/94/98/67/584949867.db2.gz XSHNWXYRMSEQOM-CHWSQXEVSA-N 0 0 224.344 3.711 20 0 BHADRN CC[C@H](CC(=O)O[C@H]1C=CCCC1)C(C)C ZINC000733488438 584949788 /nfs/dbraw/zinc/94/97/88/584949788.db2.gz XSHNWXYRMSEQOM-OLZOCXBDSA-N 0 0 224.344 3.711 20 0 BHADRN CC[C@@H](CC(=O)O[C@@H]1C=CCCC1)C(C)C ZINC000733488439 584949885 /nfs/dbraw/zinc/94/98/85/584949885.db2.gz XSHNWXYRMSEQOM-QWHCGFSZSA-N 0 0 224.344 3.711 20 0 BHADRN CC[C@@H](CC(=O)O[C@H]1C=CCCC1)C(C)C ZINC000733488440 584949715 /nfs/dbraw/zinc/94/97/15/584949715.db2.gz XSHNWXYRMSEQOM-STQMWFEESA-N 0 0 224.344 3.711 20 0 BHADRN O=C(CC1=CCCCC1)O[C@@H]1C=CCCC1 ZINC000733489239 584949816 /nfs/dbraw/zinc/94/98/16/584949816.db2.gz HNBNBNZSMKCDML-CYBMUJFWSA-N 0 0 220.312 3.529 20 0 BHADRN O=C(CC1=CCCCC1)O[C@H]1C=CCCC1 ZINC000733489240 584949797 /nfs/dbraw/zinc/94/97/97/584949797.db2.gz HNBNBNZSMKCDML-ZDUSSCGKSA-N 0 0 220.312 3.529 20 0 BHADRN C[C@@H](Cc1ccccc1)C(=O)O[C@@H]1C=CCCC1 ZINC000733494465 584949911 /nfs/dbraw/zinc/94/99/11/584949911.db2.gz DIGCAAREGVTHMD-DZGCQCFKSA-N 0 0 244.334 3.517 20 0 BHADRN C[C@H](Cc1ccccc1)C(=O)O[C@H]1C=CCCC1 ZINC000733494466 584949921 /nfs/dbraw/zinc/94/99/21/584949921.db2.gz DIGCAAREGVTHMD-HIFRSBDPSA-N 0 0 244.334 3.517 20 0 BHADRN C[C@H](Cc1ccccc1)C(=O)O[C@@H]1C=CCCC1 ZINC000733494467 584949943 /nfs/dbraw/zinc/94/99/43/584949943.db2.gz DIGCAAREGVTHMD-UKRRQHHQSA-N 0 0 244.334 3.517 20 0 BHADRN C[C@@H](Cc1ccccc1)C(=O)O[C@H]1C=CCCC1 ZINC000733494468 584950079 /nfs/dbraw/zinc/95/00/79/584950079.db2.gz DIGCAAREGVTHMD-ZFWWWQNUSA-N 0 0 244.334 3.517 20 0 BHADRN C[C@@H](C(=O)O[C@H]1C=CCCC1)c1ccccc1F ZINC000733497982 584949978 /nfs/dbraw/zinc/94/99/78/584949978.db2.gz SRJDTHHLDASLIA-NEPJUHHUSA-N 0 0 248.297 3.581 20 0 BHADRN C[C@H](C(=O)O[C@@H]1C=CCCC1)c1ccccc1F ZINC000733497983 584950010 /nfs/dbraw/zinc/95/00/10/584950010.db2.gz SRJDTHHLDASLIA-NWDGAFQWSA-N 0 0 248.297 3.581 20 0 BHADRN C[C@H](C(=O)O[C@H]1C=CCCC1)c1ccccc1F ZINC000733497984 584950044 /nfs/dbraw/zinc/95/00/44/584950044.db2.gz SRJDTHHLDASLIA-RYUDHWBXSA-N 0 0 248.297 3.581 20 0 BHADRN C[C@@H](C(=O)O[C@@H]1C=CCCC1)c1ccccc1F ZINC000733497985 584949960 /nfs/dbraw/zinc/94/99/60/584949960.db2.gz SRJDTHHLDASLIA-VXGBXAGGSA-N 0 0 248.297 3.581 20 0 BHADRN CCCCCOC(=O)[C@H](CC)Nc1ccccc1 ZINC000733505616 584950310 /nfs/dbraw/zinc/95/03/10/584950310.db2.gz HVWZETOTQMOESV-AWEZNQCLSA-N 0 0 249.354 3.611 20 0 BHADRN CCCCCOC(=O)[C@@H](CC)Nc1ccccc1 ZINC000733505617 584950351 /nfs/dbraw/zinc/95/03/51/584950351.db2.gz HVWZETOTQMOESV-CQSZACIVSA-N 0 0 249.354 3.611 20 0 BHADRN Cc1cc(C)cc(COC(=O)[C@H](C)C(C)C)c1 ZINC000733576049 584950704 /nfs/dbraw/zinc/95/07/04/584950704.db2.gz GPPKJYXGZCPKEX-CYBMUJFWSA-N 0 0 234.339 3.639 20 0 BHADRN Cc1cc(C)cc(COC(=O)[C@@H](C)C(C)C)c1 ZINC000733576052 584950746 /nfs/dbraw/zinc/95/07/46/584950746.db2.gz GPPKJYXGZCPKEX-ZDUSSCGKSA-N 0 0 234.339 3.639 20 0 BHADRN CC(C)[C@@H](C)C(=O)OCc1ccc(Cl)s1 ZINC000733576221 584950657 /nfs/dbraw/zinc/95/06/57/584950657.db2.gz JMMLOFGIBGJWOH-MRVPVSSYSA-N 0 0 246.759 3.737 20 0 BHADRN CC(C)[C@H](C)C(=O)OCc1ccc(Cl)s1 ZINC000733576222 584950655 /nfs/dbraw/zinc/95/06/55/584950655.db2.gz JMMLOFGIBGJWOH-QMMMGPOBSA-N 0 0 246.759 3.737 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@@H](C)CCc1ccccc1 ZINC000733576649 584950767 /nfs/dbraw/zinc/95/07/67/584950767.db2.gz QCJXDABABNJMAK-KBPBESRZSA-N 0 0 248.366 3.843 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@H](C)CCc1ccccc1 ZINC000733576650 584950617 /nfs/dbraw/zinc/95/06/17/584950617.db2.gz QCJXDABABNJMAK-KGLIPLIRSA-N 0 0 248.366 3.843 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@@H](C)CCc1ccccc1 ZINC000733576651 584950651 /nfs/dbraw/zinc/95/06/51/584950651.db2.gz QCJXDABABNJMAK-UONOGXRCSA-N 0 0 248.366 3.843 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@H](C)CCc1ccccc1 ZINC000733576652 584950770 /nfs/dbraw/zinc/95/07/70/584950770.db2.gz QCJXDABABNJMAK-ZIAGYGMSSA-N 0 0 248.366 3.843 20 0 BHADRN CC[C@@H](OC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000733577906 584950685 /nfs/dbraw/zinc/95/06/85/584950685.db2.gz KWDPELKMTOZUJV-GXTWGEPZSA-N 0 0 234.339 3.973 20 0 BHADRN CC[C@H](OC(=O)[C@@H](C)C(C)C)c1ccccc1 ZINC000733577907 584950641 /nfs/dbraw/zinc/95/06/41/584950641.db2.gz KWDPELKMTOZUJV-JSGCOSHPSA-N 0 0 234.339 3.973 20 0 BHADRN CC[C@H](OC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC000733577908 584950721 /nfs/dbraw/zinc/95/07/21/584950721.db2.gz KWDPELKMTOZUJV-OCCSQVGLSA-N 0 0 234.339 3.973 20 0 BHADRN CC[C@@H](OC(=O)[C@H](C)C(C)C)c1ccccc1 ZINC000733577909 584950720 /nfs/dbraw/zinc/95/07/20/584950720.db2.gz KWDPELKMTOZUJV-TZMCWYRMSA-N 0 0 234.339 3.973 20 0 BHADRN CC(C)[C@H](C)C(=O)OCc1cccc(Cl)c1 ZINC000733578479 584950960 /nfs/dbraw/zinc/95/09/60/584950960.db2.gz LELUTLFFJXDBCY-JTQLQIEISA-N 0 0 240.730 3.675 20 0 BHADRN CC(C)[C@@H](C)C(=O)OCc1cccc(Cl)c1 ZINC000733578480 584950856 /nfs/dbraw/zinc/95/08/56/584950856.db2.gz LELUTLFFJXDBCY-SNVBAGLBSA-N 0 0 240.730 3.675 20 0 BHADRN CC(C)[C@@H](C)C(=O)OC/C=C\c1ccccc1 ZINC000733579521 584950874 /nfs/dbraw/zinc/95/08/74/584950874.db2.gz RKPNQAYSFDSZPE-PGJNLMOESA-N 0 0 232.323 3.535 20 0 BHADRN CC(C)[C@H](C)C(=O)OC/C=C/c1ccccc1 ZINC000733579522 584950854 /nfs/dbraw/zinc/95/08/54/584950854.db2.gz RKPNQAYSFDSZPE-RSPDNQDQSA-N 0 0 232.323 3.535 20 0 BHADRN CC(C)[C@H](C)C(=O)OC/C=C\c1ccccc1 ZINC000733579523 584950799 /nfs/dbraw/zinc/95/07/99/584950799.db2.gz RKPNQAYSFDSZPE-SZNGSJQDSA-N 0 0 232.323 3.535 20 0 BHADRN CC(C)[C@@H](C)C(=O)OC/C=C/c1ccccc1 ZINC000733579524 584950978 /nfs/dbraw/zinc/95/09/78/584950978.db2.gz RKPNQAYSFDSZPE-UTSBKAFOSA-N 0 0 232.323 3.535 20 0 BHADRN Cc1ccc(C)c(COC(=O)[C@H](C)C(C)C)c1 ZINC000733579827 584950945 /nfs/dbraw/zinc/95/09/45/584950945.db2.gz OIZYYAKJSNCCGX-CYBMUJFWSA-N 0 0 234.339 3.639 20 0 BHADRN Cc1ccc(C)c(COC(=O)[C@@H](C)C(C)C)c1 ZINC000733579829 584950948 /nfs/dbraw/zinc/95/09/48/584950948.db2.gz OIZYYAKJSNCCGX-ZDUSSCGKSA-N 0 0 234.339 3.639 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@H](C)c1ccc(F)cc1 ZINC000733579923 584950840 /nfs/dbraw/zinc/95/08/40/584950840.db2.gz UIDAPPVBGBFTQO-GHMZBOCLSA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@@H](C)c1ccc(F)cc1 ZINC000733579925 584950789 /nfs/dbraw/zinc/95/07/89/584950789.db2.gz UIDAPPVBGBFTQO-MNOVXSKESA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@@H](C)c1ccc(F)cc1 ZINC000733579927 584950826 /nfs/dbraw/zinc/95/08/26/584950826.db2.gz UIDAPPVBGBFTQO-QWRGUYRKSA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@H](C)c1ccc(F)cc1 ZINC000733579928 584950911 /nfs/dbraw/zinc/95/09/11/584950911.db2.gz UIDAPPVBGBFTQO-WDEREUQCSA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@H](C)c1ccccc1F ZINC000733579929 584950795 /nfs/dbraw/zinc/95/07/95/584950795.db2.gz UKHPFJDINQWKDO-GHMZBOCLSA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@@H](C)c1ccccc1F ZINC000733579930 584950976 /nfs/dbraw/zinc/95/09/76/584950976.db2.gz UKHPFJDINQWKDO-MNOVXSKESA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@@H](C)c1ccccc1F ZINC000733579931 584950871 /nfs/dbraw/zinc/95/08/71/584950871.db2.gz UKHPFJDINQWKDO-QWRGUYRKSA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@H](C)c1ccccc1F ZINC000733579932 584950861 /nfs/dbraw/zinc/95/08/61/584950861.db2.gz UKHPFJDINQWKDO-WDEREUQCSA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@H](C)c1cccc(F)c1 ZINC000733579967 584950921 /nfs/dbraw/zinc/95/09/21/584950921.db2.gz UYDNYKWUPDKNRP-GHMZBOCLSA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@@H](C)c1cccc(F)c1 ZINC000733579969 584950965 /nfs/dbraw/zinc/95/09/65/584950965.db2.gz UYDNYKWUPDKNRP-MNOVXSKESA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@@H](C)c1cccc(F)c1 ZINC000733579970 584950924 /nfs/dbraw/zinc/95/09/24/584950924.db2.gz UYDNYKWUPDKNRP-QWRGUYRKSA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)[C@H](C)C(=O)O[C@H](C)c1cccc(F)c1 ZINC000733579972 584950950 /nfs/dbraw/zinc/95/09/50/584950950.db2.gz UYDNYKWUPDKNRP-WDEREUQCSA-N 0 0 238.302 3.722 20 0 BHADRN Cc1cc(COC(=O)[C@@H](C)C(C)C)c(C)s1 ZINC000733580149 584950875 /nfs/dbraw/zinc/95/08/75/584950875.db2.gz USXSWVNQSFISLR-JTQLQIEISA-N 0 0 240.368 3.700 20 0 BHADRN Cc1cc(COC(=O)[C@H](C)C(C)C)c(C)s1 ZINC000733580152 584950803 /nfs/dbraw/zinc/95/08/03/584950803.db2.gz USXSWVNQSFISLR-SNVBAGLBSA-N 0 0 240.368 3.700 20 0 BHADRN O=C(OCC1CCCC1)c1coc2ccccc12 ZINC000733600217 584951102 /nfs/dbraw/zinc/95/11/02/584951102.db2.gz UHNGJEWHKAVGHL-UHFFFAOYSA-N 0 0 244.290 3.780 20 0 BHADRN CCCCCOC(=O)c1coc2ccccc12 ZINC000733600243 584951045 /nfs/dbraw/zinc/95/10/45/584951045.db2.gz NSHUXFABYPBCFP-UHFFFAOYSA-N 0 0 232.279 3.780 20 0 BHADRN O=C(O[C@@H]1C=CCCC1)c1coc2ccccc12 ZINC000733600697 584951146 /nfs/dbraw/zinc/95/11/46/584951146.db2.gz YTPMEESFRISIBG-LLVKDONJSA-N 0 0 242.274 3.698 20 0 BHADRN O=C(O[C@H]1C=CCCC1)c1coc2ccccc12 ZINC000733600698 584951164 /nfs/dbraw/zinc/95/11/64/584951164.db2.gz YTPMEESFRISIBG-NSHDSACASA-N 0 0 242.274 3.698 20 0 BHADRN CCC[C@H](CC1CCCC1)C(=O)OCC(F)F ZINC000733603163 584951091 /nfs/dbraw/zinc/95/10/91/584951091.db2.gz FUBONZDBJRXMPH-LLVKDONJSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@@H](CC1CCCC1)C(=O)OCC(F)F ZINC000733603164 584951003 /nfs/dbraw/zinc/95/10/03/584951003.db2.gz FUBONZDBJRXMPH-NSHDSACASA-N 0 0 248.313 3.791 20 0 BHADRN CC/C=C\CCOC(=O)c1coc2ccccc12 ZINC000733681822 584951609 /nfs/dbraw/zinc/95/16/09/584951609.db2.gz ASMKPLJGUBUTES-ARJAWSKDSA-N 0 0 244.290 3.946 20 0 BHADRN CC/C=C/CCOC(=O)c1coc2ccccc12 ZINC000733681823 584951696 /nfs/dbraw/zinc/95/16/96/584951696.db2.gz ASMKPLJGUBUTES-ONEGZZNKSA-N 0 0 244.290 3.946 20 0 BHADRN CC/C=C\COC(=O)c1coc2ccccc12 ZINC000733682096 584951778 /nfs/dbraw/zinc/95/17/78/584951778.db2.gz GOFKWEMTAYURNT-UTCJRWHESA-N 0 0 230.263 3.556 20 0 BHADRN CC/C=C/COC(=O)c1coc2ccccc12 ZINC000733682098 584951768 /nfs/dbraw/zinc/95/17/68/584951768.db2.gz GOFKWEMTAYURNT-ZZXKWVIFSA-N 0 0 230.263 3.556 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@H](C)C(C)C ZINC000733682344 584951669 /nfs/dbraw/zinc/95/16/69/584951669.db2.gz DVXGLKCHIDSJGD-OLZOCXBDSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@@H](C)C(C)C ZINC000733682345 584951617 /nfs/dbraw/zinc/95/16/17/584951617.db2.gz DVXGLKCHIDSJGD-STQMWFEESA-N 0 0 234.339 3.891 20 0 BHADRN CC(C)[C@@H](C)C(=O)O[C@@H]1CCc2ccccc21 ZINC000733682506 584951752 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ZINC000733738192 584953095 /nfs/dbraw/zinc/95/30/95/584953095.db2.gz VQHZDAPKCDEVAI-NSHDSACASA-N 0 0 242.322 3.634 20 0 BHADRN Cc1ccc(-c2noc(C[C@@H](C)C3CC3)n2)cc1 ZINC000733738511 584953116 /nfs/dbraw/zinc/95/31/16/584953116.db2.gz NKXCILFTGQHRDY-LLVKDONJSA-N 0 0 242.322 3.634 20 0 BHADRN Cc1ccc(-c2noc(C[C@H](C)C3CC3)n2)cc1 ZINC000733738512 584953126 /nfs/dbraw/zinc/95/31/26/584953126.db2.gz NKXCILFTGQHRDY-NSHDSACASA-N 0 0 242.322 3.634 20 0 BHADRN CCCCCC[C@H](C)Cc1nc(C)no1 ZINC000733739374 584952970 /nfs/dbraw/zinc/95/29/70/584952970.db2.gz IFRFARSUWNDIGP-JTQLQIEISA-N 0 0 210.321 3.527 20 0 BHADRN CCCCCC[C@@H](C)Cc1nc(C)no1 ZINC000733739376 584953020 /nfs/dbraw/zinc/95/30/20/584953020.db2.gz IFRFARSUWNDIGP-SNVBAGLBSA-N 0 0 210.321 3.527 20 0 BHADRN Cc1noc(-c2cc3ccc(C(C)C)cc3[nH]2)n1 ZINC000733739492 584953065 /nfs/dbraw/zinc/95/30/65/584953065.db2.gz NESWTTQMXYHYII-UHFFFAOYSA-N 0 0 241.294 3.650 20 0 BHADRN Cc1noc(-c2ccc3c(c2)-c2ccccc2C3)n1 ZINC000733739863 584953130 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ZINC000733943947 584954913 /nfs/dbraw/zinc/95/49/13/584954913.db2.gz IEVLJDXTBMEBAE-DQLFRSJESA-N 0 0 237.387 3.675 20 0 BHADRN CC/C=C(\C)C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000733943948 584955026 /nfs/dbraw/zinc/95/50/26/584955026.db2.gz IEVLJDXTBMEBAE-RHRPULRUSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C=C(/C)C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000733943949 584955025 /nfs/dbraw/zinc/95/50/25/584955025.db2.gz IEVLJDXTBMEBAE-VJPQEFOGSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C\C(=O)NCC[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000733944183 584955043 /nfs/dbraw/zinc/95/50/43/584955043.db2.gz KRJXVBUHGPVQOJ-HLXCCUCLSA-N 0 0 249.398 3.675 20 0 BHADRN C/C(=C\C(=O)NCC[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000733944184 584955047 /nfs/dbraw/zinc/95/50/47/584955047.db2.gz KRJXVBUHGPVQOJ-RVJXONLDSA-N 0 0 249.398 3.675 20 0 BHADRN C/C(=C/C(=O)NCC[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000733944185 584954907 /nfs/dbraw/zinc/95/49/07/584954907.db2.gz KRJXVBUHGPVQOJ-VAZJTNHSSA-N 0 0 249.398 3.675 20 0 BHADRN C/C(=C/C(=O)NCC[C@@H]1CCCC[C@@H]1C)C1CC1 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/nfs/dbraw/zinc/48/65/83/643486583.db2.gz OFQGCRKHRJRHTN-XWFMMTFPSA-N 0 0 237.387 3.675 20 0 BHADRN CC[C@@H]1c2ccccc2CCN1c1nccs1 ZINC000733992789 584956332 /nfs/dbraw/zinc/95/63/32/584956332.db2.gz BCVAAMZGVBVJTH-CYBMUJFWSA-N 0 0 244.363 3.657 20 0 BHADRN CC[C@H]1c2ccccc2CCN1c1nccs1 ZINC000733992791 584956404 /nfs/dbraw/zinc/95/64/04/584956404.db2.gz BCVAAMZGVBVJTH-ZDUSSCGKSA-N 0 0 244.363 3.657 20 0 BHADRN C[C@@H]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000734003126 584956210 /nfs/dbraw/zinc/95/62/10/584956210.db2.gz FDJNLPQZFMHEDT-NEPJUHHUSA-N 0 0 241.375 3.728 20 0 BHADRN C[C@H]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000734003127 584956071 /nfs/dbraw/zinc/95/60/71/584956071.db2.gz FDJNLPQZFMHEDT-NWDGAFQWSA-N 0 0 241.375 3.728 20 0 BHADRN C[C@H]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000734003128 584956295 /nfs/dbraw/zinc/95/62/95/584956295.db2.gz FDJNLPQZFMHEDT-RYUDHWBXSA-N 0 0 241.375 3.728 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000734003129 584956030 /nfs/dbraw/zinc/95/60/30/584956030.db2.gz FDJNLPQZFMHEDT-VXGBXAGGSA-N 0 0 241.375 3.728 20 0 BHADRN CCCCCCNC(=O)N1CCCCC[C@H]1C ZINC000734007854 643483262 /nfs/dbraw/zinc/48/32/62/643483262.db2.gz JMJZAOUOZUGZBA-CYBMUJFWSA-N 0 0 240.391 3.541 20 0 BHADRN CCCCCCNC(=O)N1CCCCC[C@@H]1C ZINC000734007855 643483959 /nfs/dbraw/zinc/48/39/59/643483959.db2.gz JMJZAOUOZUGZBA-ZDUSSCGKSA-N 0 0 240.391 3.541 20 0 BHADRN CCCOC(=O)[C@H](CC)CC1CCCC1 ZINC000734051742 584956670 /nfs/dbraw/zinc/95/66/70/584956670.db2.gz GGFMEMYKHFQUSF-GFCCVEGCSA-N 0 0 212.333 3.546 20 0 BHADRN CCCOC(=O)[C@@H](CC)CC1CCCC1 ZINC000734051747 584956692 /nfs/dbraw/zinc/95/66/92/584956692.db2.gz GGFMEMYKHFQUSF-LBPRGKRZSA-N 0 0 212.333 3.546 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)OC/C=C/Cl ZINC000734053541 643488240 /nfs/dbraw/zinc/48/82/40/643488240.db2.gz OSBWADQWNHHEDH-FZKGZDJFSA-N 0 0 244.762 3.889 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)OC/C=C\Cl ZINC000734053550 643488122 /nfs/dbraw/zinc/48/81/22/643488122.db2.gz OSBWADQWNHHEDH-JECSTDCCSA-N 0 0 244.762 3.889 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)OC/C=C\Cl ZINC000734053553 643487704 /nfs/dbraw/zinc/48/77/04/643487704.db2.gz OSBWADQWNHHEDH-VVEJJEBESA-N 0 0 244.762 3.889 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)OC/C=C/Cl ZINC000734053555 643488596 /nfs/dbraw/zinc/48/85/96/643488596.db2.gz OSBWADQWNHHEDH-ZCRIDZFUSA-N 0 0 244.762 3.889 20 0 BHADRN C/C=C\COC(=O)[C@@H](CC)CC1CCCC1 ZINC000734054460 643488776 /nfs/dbraw/zinc/48/87/76/643488776.db2.gz UFOSHHLOMPAWNC-DXTPNHAXSA-N 0 0 224.344 3.712 20 0 BHADRN C/C=C\COC(=O)[C@H](CC)CC1CCCC1 ZINC000734054461 643487895 /nfs/dbraw/zinc/48/78/95/643487895.db2.gz UFOSHHLOMPAWNC-HSBHDXMMSA-N 0 0 224.344 3.712 20 0 BHADRN C/C=C/COC(=O)[C@@H](CC)CC1CCCC1 ZINC000734054463 643488380 /nfs/dbraw/zinc/48/83/80/643488380.db2.gz UFOSHHLOMPAWNC-LQPUYASZSA-N 0 0 224.344 3.712 20 0 BHADRN C/C=C/COC(=O)[C@H](CC)CC1CCCC1 ZINC000734054465 643487675 /nfs/dbraw/zinc/48/76/75/643487675.db2.gz UFOSHHLOMPAWNC-MASHWEEQSA-N 0 0 224.344 3.712 20 0 BHADRN CC[C@H](CC1CCCCC1)C(=O)OCC(F)F ZINC000734055693 643488857 /nfs/dbraw/zinc/48/88/57/643488857.db2.gz NBJZOWWXOQUNGV-LLVKDONJSA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@@H](CC1CCCCC1)C(=O)OCC(F)F ZINC000734055700 643488689 /nfs/dbraw/zinc/48/86/89/643488689.db2.gz NBJZOWWXOQUNGV-NSHDSACASA-N 0 0 248.313 3.791 20 0 BHADRN CCCCOC(=O)[C@H](C)CC1CCCC1 ZINC000734056383 643487956 /nfs/dbraw/zinc/48/79/56/643487956.db2.gz RGJPXAHGPTWUBM-LLVKDONJSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCOC(=O)[C@@H](C)CC1CCCC1 ZINC000734056384 643487986 /nfs/dbraw/zinc/48/79/86/643487986.db2.gz RGJPXAHGPTWUBM-NSHDSACASA-N 0 0 212.333 3.546 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)O[C@@H]1C=CCCC1 ZINC000734057115 643488938 /nfs/dbraw/zinc/48/89/38/643488938.db2.gz VJPSBDZAIHDIPY-GXTWGEPZSA-N 0 0 236.355 3.855 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)O[C@H]1C=CCCC1 ZINC000734057116 643488479 /nfs/dbraw/zinc/48/84/79/643488479.db2.gz VJPSBDZAIHDIPY-JSGCOSHPSA-N 0 0 236.355 3.855 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)O[C@H]1C=CCCC1 ZINC000734057117 643487151 /nfs/dbraw/zinc/48/71/51/643487151.db2.gz VJPSBDZAIHDIPY-OCCSQVGLSA-N 0 0 236.355 3.855 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)O[C@@H]1C=CCCC1 ZINC000734057118 643488648 /nfs/dbraw/zinc/48/86/48/643488648.db2.gz VJPSBDZAIHDIPY-TZMCWYRMSA-N 0 0 236.355 3.855 20 0 BHADRN Cc1cccc2c1CCCN2C/C=C/Cl ZINC000734058665 643488643 /nfs/dbraw/zinc/48/86/43/643488643.db2.gz XBXXNMYSGCFIAJ-XBXARRHUSA-N 0 0 221.731 3.500 20 0 BHADRN Cc1cccc2c1CCCN2C/C=C\Cl ZINC000734058666 643488230 /nfs/dbraw/zinc/48/82/30/643488230.db2.gz XBXXNMYSGCFIAJ-YWEYNIOJSA-N 0 0 221.731 3.500 20 0 BHADRN CC/C=C\COC(=O)[C@H](C)CC1CCCC1 ZINC000734079571 643487162 /nfs/dbraw/zinc/48/71/62/643487162.db2.gz CVGFEZGOZORXIR-DJFZKKHWSA-N 0 0 224.344 3.712 20 0 BHADRN CC/C=C\COC(=O)[C@@H](C)CC1CCCC1 ZINC000734079572 643487807 /nfs/dbraw/zinc/48/78/07/643487807.db2.gz CVGFEZGOZORXIR-KMSCOEIWSA-N 0 0 224.344 3.712 20 0 BHADRN CC/C=C/COC(=O)[C@@H](C)CC1CCCC1 ZINC000734079573 643488921 /nfs/dbraw/zinc/48/89/21/643488921.db2.gz CVGFEZGOZORXIR-NTYUQYKDSA-N 0 0 224.344 3.712 20 0 BHADRN CC/C=C/COC(=O)[C@H](C)CC1CCCC1 ZINC000734079574 643488641 /nfs/dbraw/zinc/48/86/41/643488641.db2.gz CVGFEZGOZORXIR-RPTYSRGTSA-N 0 0 224.344 3.712 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)OCc1ccoc1 ZINC000734079913 643487287 /nfs/dbraw/zinc/48/72/87/643487287.db2.gz GFSDCHCTLUXPKF-LLVKDONJSA-N 0 0 236.311 3.539 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)OCc1ccoc1 ZINC000734079914 643487754 /nfs/dbraw/zinc/48/77/54/643487754.db2.gz GFSDCHCTLUXPKF-NSHDSACASA-N 0 0 236.311 3.539 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)OCC1CC1 ZINC000734080330 643487891 /nfs/dbraw/zinc/48/78/91/643487891.db2.gz PNBWYNUNPYRTGV-CYBMUJFWSA-N 0 0 224.344 3.546 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)OCC1CC1 ZINC000734080331 643488745 /nfs/dbraw/zinc/48/87/45/643488745.db2.gz PNBWYNUNPYRTGV-ZDUSSCGKSA-N 0 0 224.344 3.546 20 0 BHADRN CC[C@@H](C)OC(=O)[C@H](C)CC1CCCC1 ZINC000734082735 643490316 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/nfs/dbraw/zinc/96/02/65/584960265.db2.gz VNILRBABSYSNKO-RYUDHWBXSA-N 0 0 227.392 3.611 20 0 BHADRN CCC[C@@H](C)CC(=O)NC[C@@H](C)C(C)(C)C ZINC000734334219 584960390 /nfs/dbraw/zinc/96/03/90/584960390.db2.gz VNILRBABSYSNKO-VXGBXAGGSA-N 0 0 227.392 3.611 20 0 BHADRN C[C@H](CNC(=O)CC1CCCCC1)C(C)(C)C ZINC000734335794 584960406 /nfs/dbraw/zinc/96/04/06/584960406.db2.gz HLWPHHRFJKGTAL-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CNC(=O)CC1CCCCC1)C(C)(C)C ZINC000734335795 584960341 /nfs/dbraw/zinc/96/03/41/584960341.db2.gz HLWPHHRFJKGTAL-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN Cc1ccc(C(=O)NC[C@@H](C)C(C)(C)C)cc1C ZINC000734336452 584960333 /nfs/dbraw/zinc/96/03/33/584960333.db2.gz KTIXBXACNZSMHS-CYBMUJFWSA-N 0 0 247.382 3.715 20 0 BHADRN Cc1ccc(C(=O)NC[C@H](C)C(C)(C)C)cc1C ZINC000734336453 584960399 /nfs/dbraw/zinc/96/03/99/584960399.db2.gz KTIXBXACNZSMHS-ZDUSSCGKSA-N 0 0 247.382 3.715 20 0 BHADRN Cc1ccc(C)c(C(=O)NC[C@@H](C)C(C)(C)C)c1 ZINC000734336829 584960452 /nfs/dbraw/zinc/96/04/52/584960452.db2.gz OKSAOJJCYAPTSU-CYBMUJFWSA-N 0 0 247.382 3.715 20 0 BHADRN Cc1ccc(C)c(C(=O)NC[C@H](C)C(C)(C)C)c1 ZINC000734336830 584960329 /nfs/dbraw/zinc/96/03/29/584960329.db2.gz OKSAOJJCYAPTSU-ZDUSSCGKSA-N 0 0 247.382 3.715 20 0 BHADRN CCC/C(C)=C/C(=O)NC[C@@H](C)C(C)(C)C ZINC000734337038 584960436 /nfs/dbraw/zinc/96/04/36/584960436.db2.gz QJCCFVDVQWSYTC-LMMOQWNQSA-N 0 0 225.376 3.531 20 0 BHADRN CCC/C(C)=C\C(=O)NC[C@H](C)C(C)(C)C ZINC000734337039 584960351 /nfs/dbraw/zinc/96/03/51/584960351.db2.gz QJCCFVDVQWSYTC-MMRAYRKESA-N 0 0 225.376 3.531 20 0 BHADRN CCC/C(C)=C\C(=O)NC[C@@H](C)C(C)(C)C ZINC000734337040 584960461 /nfs/dbraw/zinc/96/04/61/584960461.db2.gz QJCCFVDVQWSYTC-UCQJPZFISA-N 0 0 225.376 3.531 20 0 BHADRN CCC/C(C)=C/C(=O)NC[C@H](C)C(C)(C)C ZINC000734337041 584960289 /nfs/dbraw/zinc/96/02/89/584960289.db2.gz QJCCFVDVQWSYTC-ZKQHCESOSA-N 0 0 225.376 3.531 20 0 BHADRN C[C@H](CNC(=O)CCC1CCCC1)C(C)(C)C ZINC000734337064 584960264 /nfs/dbraw/zinc/96/02/64/584960264.db2.gz QUUUFVBBCBTVEJ-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CNC(=O)CCC1CCCC1)C(C)(C)C ZINC000734337065 584960306 /nfs/dbraw/zinc/96/03/06/584960306.db2.gz QUUUFVBBCBTVEJ-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN Cc1cccc(C(=O)NC[C@@H](C)C(C)(C)C)c1C ZINC000734337557 584960639 /nfs/dbraw/zinc/96/06/39/584960639.db2.gz XDPSKTIMTKUXQU-GFCCVEGCSA-N 0 0 247.382 3.715 20 0 BHADRN Cc1cccc(C(=O)NC[C@H](C)C(C)(C)C)c1C ZINC000734337559 584960531 /nfs/dbraw/zinc/96/05/31/584960531.db2.gz XDPSKTIMTKUXQU-LBPRGKRZSA-N 0 0 247.382 3.715 20 0 BHADRN C[C@H](CNC(=O)C=C(C1CC1)C1CC1)C(C)(C)C ZINC000734338010 584960495 /nfs/dbraw/zinc/96/04/95/584960495.db2.gz BATJLEMZUCCUOQ-LLVKDONJSA-N 0 0 249.398 3.531 20 0 BHADRN C[C@@H](CNC(=O)C=C(C1CC1)C1CC1)C(C)(C)C ZINC000734338011 584960553 /nfs/dbraw/zinc/96/05/53/584960553.db2.gz BATJLEMZUCCUOQ-NSHDSACASA-N 0 0 249.398 3.531 20 0 BHADRN CCCCCCC(=O)NC[C@@H](C)C(C)(C)C ZINC000734338364 584960556 /nfs/dbraw/zinc/96/05/56/584960556.db2.gz GQIXTZVULIFOTH-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCCC(=O)NC[C@H](C)C(C)(C)C ZINC000734338366 584960607 /nfs/dbraw/zinc/96/06/07/584960607.db2.gz GQIXTZVULIFOTH-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN CC[C@H](CC(=O)NC[C@@H](C)C(C)(C)C)C(C)C ZINC000734338397 584960598 /nfs/dbraw/zinc/96/05/98/584960598.db2.gz DXSYCJWIZXZNNU-CHWSQXEVSA-N 0 0 241.419 3.857 20 0 BHADRN CC[C@@H](CC(=O)NC[C@@H](C)C(C)(C)C)C(C)C ZINC000734338398 584960649 /nfs/dbraw/zinc/96/06/49/584960649.db2.gz DXSYCJWIZXZNNU-OLZOCXBDSA-N 0 0 241.419 3.857 20 0 BHADRN CC[C@H](CC(=O)NC[C@H](C)C(C)(C)C)C(C)C ZINC000734338399 584960604 /nfs/dbraw/zinc/96/06/04/584960604.db2.gz DXSYCJWIZXZNNU-QWHCGFSZSA-N 0 0 241.419 3.857 20 0 BHADRN CC[C@@H](CC(=O)NC[C@H](C)C(C)(C)C)C(C)C ZINC000734338400 584960655 /nfs/dbraw/zinc/96/06/55/584960655.db2.gz DXSYCJWIZXZNNU-STQMWFEESA-N 0 0 241.419 3.857 20 0 BHADRN Cc1cc(C)cc(C(=O)NC[C@@H](C)C(C)(C)C)c1 ZINC000734338696 584960578 /nfs/dbraw/zinc/96/05/78/584960578.db2.gz HEPNKHJTGUNFSZ-CYBMUJFWSA-N 0 0 247.382 3.715 20 0 BHADRN Cc1cc(C)cc(C(=O)NC[C@H](C)C(C)(C)C)c1 ZINC000734338697 584960661 /nfs/dbraw/zinc/96/06/61/584960661.db2.gz HEPNKHJTGUNFSZ-ZDUSSCGKSA-N 0 0 247.382 3.715 20 0 BHADRN C[C@H](CNC(=O)C=C1CCCCC1)C(C)(C)C ZINC000734339125 584960589 /nfs/dbraw/zinc/96/05/89/584960589.db2.gz JIERLOKKSODBKX-GFCCVEGCSA-N 0 0 237.387 3.675 20 0 BHADRN C[C@@H](CNC(=O)C=C1CCCCC1)C(C)(C)C ZINC000734339127 584960565 /nfs/dbraw/zinc/96/05/65/584960565.db2.gz JIERLOKKSODBKX-LBPRGKRZSA-N 0 0 237.387 3.675 20 0 BHADRN Cc1ccc(C(=O)NC[C@@H](C)C(C)(C)C)c(C)c1 ZINC000734339743 584960665 /nfs/dbraw/zinc/96/06/65/584960665.db2.gz MCTOTIGVYJTTSL-CYBMUJFWSA-N 0 0 247.382 3.715 20 0 BHADRN Cc1ccc(C(=O)NC[C@H](C)C(C)(C)C)c(C)c1 ZINC000734339745 584960617 /nfs/dbraw/zinc/96/06/17/584960617.db2.gz MCTOTIGVYJTTSL-ZDUSSCGKSA-N 0 0 247.382 3.715 20 0 BHADRN CCc1ccc(C(=O)NC[C@@H](C)C(C)(C)C)cc1 ZINC000734339761 584960627 /nfs/dbraw/zinc/96/06/27/584960627.db2.gz NBVNFBCOCHNMBC-GFCCVEGCSA-N 0 0 247.382 3.661 20 0 BHADRN CCc1ccc(C(=O)NC[C@H](C)C(C)(C)C)cc1 ZINC000734339762 584960555 /nfs/dbraw/zinc/96/05/55/584960555.db2.gz NBVNFBCOCHNMBC-LBPRGKRZSA-N 0 0 247.382 3.661 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)NC[C@@H](C)C(C)(C)C ZINC000734341714 584960828 /nfs/dbraw/zinc/96/08/28/584960828.db2.gz XYGZGKHWFDDEHH-CHWSQXEVSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)NC[C@H](C)C(C)(C)C ZINC000734341715 584960785 /nfs/dbraw/zinc/96/07/85/584960785.db2.gz XYGZGKHWFDDEHH-OLZOCXBDSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)C[C@H](C)CC(=O)NC[C@@H](C)C(C)(C)C ZINC000734341716 584960851 /nfs/dbraw/zinc/96/08/51/584960851.db2.gz XYGZGKHWFDDEHH-QWHCGFSZSA-N 0 0 241.419 3.857 20 0 BHADRN CC(C)C[C@H](C)CC(=O)NC[C@H](C)C(C)(C)C ZINC000734341717 584960780 /nfs/dbraw/zinc/96/07/80/584960780.db2.gz XYGZGKHWFDDEHH-STQMWFEESA-N 0 0 241.419 3.857 20 0 BHADRN C[C@H](CNC(=O)C1CCCCCC1)C(C)(C)C ZINC000734342252 584960731 /nfs/dbraw/zinc/96/07/31/584960731.db2.gz ZLDGPARUZMSMST-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CNC(=O)C1CCCCCC1)C(C)(C)C ZINC000734342253 584960766 /nfs/dbraw/zinc/96/07/66/584960766.db2.gz ZLDGPARUZMSMST-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN C/C=C/C=C/C(=O)N[C@H](C)CCC1CCCCC1 ZINC000734343756 584960684 /nfs/dbraw/zinc/96/06/84/584960684.db2.gz AIYLFSBPXYFJIX-GCMHUNDHSA-N 0 0 249.398 3.984 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000734343757 584960735 /nfs/dbraw/zinc/96/07/35/584960735.db2.gz AIYLFSBPXYFJIX-IKALFKKXSA-N 0 0 249.398 3.984 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](C)CCC1CCCCC1 ZINC000734343758 584960768 /nfs/dbraw/zinc/96/07/68/584960768.db2.gz AIYLFSBPXYFJIX-URELMOTESA-N 0 0 249.398 3.984 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000734343759 584960721 /nfs/dbraw/zinc/96/07/21/584960721.db2.gz AIYLFSBPXYFJIX-VVPUYNSGSA-N 0 0 249.398 3.984 20 0 BHADRN CC(C)=CC(=O)N[C@H](C)CCC1CCCCC1 ZINC000734344545 584960838 /nfs/dbraw/zinc/96/08/38/584960838.db2.gz NUJCGEOEPCXKPI-CYBMUJFWSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)=CC(=O)N[C@@H](C)CCC1CCCCC1 ZINC000734344546 584960717 /nfs/dbraw/zinc/96/07/17/584960717.db2.gz NUJCGEOEPCXKPI-ZDUSSCGKSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@H](NC(=O)C(C)C)C(C)(C)C ZINC000734344743 584960682 /nfs/dbraw/zinc/96/06/82/584960682.db2.gz CXRZYCQCILLLGY-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](NC(=O)C(C)C)C(C)(C)C ZINC000734344744 584960893 /nfs/dbraw/zinc/96/08/93/584960893.db2.gz CXRZYCQCILLLGY-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@@H](NC(=O)CC1CC1)C(C)(C)C ZINC000734344834 584960870 /nfs/dbraw/zinc/96/08/70/584960870.db2.gz SVJPZCRRMHWMSM-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](NC(=O)CC1CC1)C(C)(C)C ZINC000734344835 584960834 /nfs/dbraw/zinc/96/08/34/584960834.db2.gz SVJPZCRRMHWMSM-ZDUSSCGKSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@@H](NC(=O)C1CCC1)C(C)(C)C ZINC000734344939 584960781 /nfs/dbraw/zinc/96/07/81/584960781.db2.gz GWKHCMJTLBNAGE-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](NC(=O)C1CCC1)C(C)(C)C ZINC000734344940 584960874 /nfs/dbraw/zinc/96/08/74/584960874.db2.gz GWKHCMJTLBNAGE-ZDUSSCGKSA-N 0 0 239.403 3.898 20 0 BHADRN C/C=C\C(=O)N[C@H](CCCCC)C(C)(C)C ZINC000734345099 584960816 /nfs/dbraw/zinc/96/08/16/584960816.db2.gz ILKLUOWEUSWQNG-MQGYJPLLSA-N 0 0 225.376 3.674 20 0 BHADRN C/C=C/C(=O)N[C@H](CCCCC)C(C)(C)C ZINC000734345100 584960688 /nfs/dbraw/zinc/96/06/88/584960688.db2.gz ILKLUOWEUSWQNG-OFFHKIPUSA-N 0 0 225.376 3.674 20 0 BHADRN C/C=C/C(=O)N[C@@H](CCCCC)C(C)(C)C ZINC000734345101 584960771 /nfs/dbraw/zinc/96/07/71/584960771.db2.gz ILKLUOWEUSWQNG-PMDBQALLSA-N 0 0 225.376 3.674 20 0 BHADRN C/C=C\C(=O)N[C@@H](CCCCC)C(C)(C)C ZINC000734345102 584960894 /nfs/dbraw/zinc/96/08/94/584960894.db2.gz ILKLUOWEUSWQNG-UMAGTOLTSA-N 0 0 225.376 3.674 20 0 BHADRN CCCCC[C@@H](NC(=O)CCC)C(C)(C)C ZINC000734345107 584960812 /nfs/dbraw/zinc/96/08/12/584960812.db2.gz IOXWFIPJBBFQLF-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](NC(=O)CCC)C(C)(C)C ZINC000734345108 584960739 /nfs/dbraw/zinc/96/07/39/584960739.db2.gz IOXWFIPJBBFQLF-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](NC(=O)[C@H]1C[C@H]1C)C(C)(C)C ZINC000734346433 584960855 /nfs/dbraw/zinc/96/08/55/584960855.db2.gz UEOGWTAFJFTLRD-AGIUHOORSA-N 0 0 239.403 3.754 20 0 BHADRN CCCCC[C@H](NC(=O)[C@H]1C[C@@H]1C)C(C)(C)C ZINC000734346434 584960784 /nfs/dbraw/zinc/96/07/84/584960784.db2.gz UEOGWTAFJFTLRD-AVGNSLFASA-N 0 0 239.403 3.754 20 0 BHADRN CCCCC[C@H](NC(=O)[C@@H]1C[C@H]1C)C(C)(C)C ZINC000734346435 584960817 /nfs/dbraw/zinc/96/08/17/584960817.db2.gz UEOGWTAFJFTLRD-UPJWGTAASA-N 0 0 239.403 3.754 20 0 BHADRN CCCCC[C@H](NC(=O)[C@@H]1C[C@@H]1C)C(C)(C)C ZINC000734346436 584960847 /nfs/dbraw/zinc/96/08/47/584960847.db2.gz UEOGWTAFJFTLRD-XQQFMLRXSA-N 0 0 239.403 3.754 20 0 BHADRN O=C(C[C@H]1CCc2ccccc21)OC1CCCC1 ZINC000734384768 584962059 /nfs/dbraw/zinc/96/20/59/584962059.db2.gz GVXZVKMQEQNQLK-CYBMUJFWSA-N 0 0 244.334 3.592 20 0 BHADRN O=C(C[C@@H]1CCc2ccccc21)OC1CCCC1 ZINC000734384770 584961872 /nfs/dbraw/zinc/96/18/72/584961872.db2.gz GVXZVKMQEQNQLK-ZDUSSCGKSA-N 0 0 244.334 3.592 20 0 BHADRN C[C@H](C(=O)OCCCc1ccccc1)C(C)(C)C ZINC000734384890 584962095 /nfs/dbraw/zinc/96/20/95/584962095.db2.gz ARSNABYLVZOZPY-CYBMUJFWSA-N 0 0 248.366 3.845 20 0 BHADRN C[C@@H](C(=O)OCCCc1ccccc1)C(C)(C)C ZINC000734384891 584962037 /nfs/dbraw/zinc/96/20/37/584962037.db2.gz ARSNABYLVZOZPY-ZDUSSCGKSA-N 0 0 248.366 3.845 20 0 BHADRN CCc1ccc(OC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC000734384913 584962070 /nfs/dbraw/zinc/96/20/70/584962070.db2.gz AZCLJKRHICFPDA-LLVKDONJSA-N 0 0 234.339 3.837 20 0 BHADRN CCc1ccc(OC(=O)[C@H](C)C(C)(C)C)cc1 ZINC000734384914 584962024 /nfs/dbraw/zinc/96/20/24/584962024.db2.gz AZCLJKRHICFPDA-NSHDSACASA-N 0 0 234.339 3.837 20 0 BHADRN C[C@H](C(=O)OC[C@H]1CC=CCC1)C(C)(C)C ZINC000734384970 584961913 /nfs/dbraw/zinc/96/19/13/584961913.db2.gz BSKSBVMIIUAXBP-NEPJUHHUSA-N 0 0 224.344 3.568 20 0 BHADRN C[C@@H](C(=O)OC[C@@H]1CC=CCC1)C(C)(C)C ZINC000734384971 584961870 /nfs/dbraw/zinc/96/18/70/584961870.db2.gz BSKSBVMIIUAXBP-NWDGAFQWSA-N 0 0 224.344 3.568 20 0 BHADRN C[C@@H](C(=O)OC[C@H]1CC=CCC1)C(C)(C)C ZINC000734384973 584961950 /nfs/dbraw/zinc/96/19/50/584961950.db2.gz BSKSBVMIIUAXBP-RYUDHWBXSA-N 0 0 224.344 3.568 20 0 BHADRN C[C@H](C(=O)OC[C@@H]1CC=CCC1)C(C)(C)C ZINC000734384975 584962025 /nfs/dbraw/zinc/96/20/25/584962025.db2.gz BSKSBVMIIUAXBP-VXGBXAGGSA-N 0 0 224.344 3.568 20 0 BHADRN Cc1cc(C)cc(OC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000734385844 584962008 /nfs/dbraw/zinc/96/20/08/584962008.db2.gz GGIIVUZRENLFIE-GFCCVEGCSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1cc(C)cc(OC(=O)[C@H](C)C(C)(C)C)c1 ZINC000734385846 584962056 /nfs/dbraw/zinc/96/20/56/584962056.db2.gz GGIIVUZRENLFIE-LBPRGKRZSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1ccccc1OC(=O)[C@@H](C)C(C)(C)C ZINC000734385887 584961960 /nfs/dbraw/zinc/96/19/60/584961960.db2.gz GVPMAYDUUSYRDI-LLVKDONJSA-N 0 0 220.312 3.583 20 0 BHADRN Cc1ccccc1OC(=O)[C@H](C)C(C)(C)C ZINC000734385888 584962069 /nfs/dbraw/zinc/96/20/69/584962069.db2.gz GVPMAYDUUSYRDI-NSHDSACASA-N 0 0 220.312 3.583 20 0 BHADRN C[C@H](C(=O)Oc1cccc(Cl)c1)C(C)(C)C ZINC000734385932 584961943 /nfs/dbraw/zinc/96/19/43/584961943.db2.gz HJXHNXQYYAZOII-SECBINFHSA-N 0 0 240.730 3.928 20 0 BHADRN C[C@@H](C(=O)Oc1cccc(Cl)c1)C(C)(C)C ZINC000734385933 584961930 /nfs/dbraw/zinc/96/19/30/584961930.db2.gz HJXHNXQYYAZOII-VIFPVBQESA-N 0 0 240.730 3.928 20 0 BHADRN C[C@H](C(=O)NC1CCCCCCC1)C(C)(C)C ZINC000734386282 584962035 /nfs/dbraw/zinc/96/20/35/584962035.db2.gz IQEGJPWQXXUJLX-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H](C(=O)NC1CCCCCCC1)C(C)(C)C ZINC000734386284 584961826 /nfs/dbraw/zinc/96/18/26/584961826.db2.gz IQEGJPWQXXUJLX-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000734386293 584961834 /nfs/dbraw/zinc/96/18/34/584961834.db2.gz IRNAUPBVUIAIKJ-GFCCVEGCSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@H](C)C(C)(C)C)c1 ZINC000734386294 584961909 /nfs/dbraw/zinc/96/19/09/584961909.db2.gz IRNAUPBVUIAIKJ-LBPRGKRZSA-N 0 0 234.339 3.891 20 0 BHADRN C[C@@H](C(=O)O[C@@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000734386507 584962007 /nfs/dbraw/zinc/96/20/07/584962007.db2.gz KAPVPCQHLDIKNM-GRYCIOLGSA-N 0 0 226.360 3.791 20 0 BHADRN C[C@H](C(=O)O[C@@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000734386510 584961883 /nfs/dbraw/zinc/96/18/83/584961883.db2.gz KAPVPCQHLDIKNM-IJLUTSLNSA-N 0 0 226.360 3.791 20 0 BHADRN C[C@H](C(=O)O[C@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000734386513 584961936 /nfs/dbraw/zinc/96/19/36/584961936.db2.gz KAPVPCQHLDIKNM-UTUOFQBUSA-N 0 0 226.360 3.791 20 0 BHADRN C[C@@H](C(=O)O[C@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000734386515 584961838 /nfs/dbraw/zinc/96/18/38/584961838.db2.gz KAPVPCQHLDIKNM-WOPDTQHZSA-N 0 0 226.360 3.791 20 0 BHADRN C[C@@H](C(=O)OCc1ccc(F)cc1)C(C)(C)C ZINC000734386903 584961912 /nfs/dbraw/zinc/96/19/12/584961912.db2.gz MHOJQPZSNIEWIY-JTQLQIEISA-N 0 0 238.302 3.551 20 0 BHADRN C[C@H](C(=O)OCc1ccc(F)cc1)C(C)(C)C ZINC000734386911 584962078 /nfs/dbraw/zinc/96/20/78/584962078.db2.gz MHOJQPZSNIEWIY-SNVBAGLBSA-N 0 0 238.302 3.551 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC000734387235 584961968 /nfs/dbraw/zinc/96/19/68/584961968.db2.gz NMUVJSFIHGKWPA-LLVKDONJSA-N 0 0 220.312 3.583 20 0 BHADRN Cc1ccc(OC(=O)[C@H](C)C(C)(C)C)cc1 ZINC000734387236 584962072 /nfs/dbraw/zinc/96/20/72/584962072.db2.gz NMUVJSFIHGKWPA-NSHDSACASA-N 0 0 220.312 3.583 20 0 BHADRN C[C@H](C(=O)Oc1ccc(Cl)cc1)C(C)(C)C ZINC000734387256 584961881 /nfs/dbraw/zinc/96/18/81/584961881.db2.gz OIWDFFQJXQUREN-SECBINFHSA-N 0 0 240.730 3.928 20 0 BHADRN C[C@@H](C(=O)Oc1ccc(Cl)cc1)C(C)(C)C ZINC000734387257 584962052 /nfs/dbraw/zinc/96/20/52/584962052.db2.gz OIWDFFQJXQUREN-VIFPVBQESA-N 0 0 240.730 3.928 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000734387800 584961833 /nfs/dbraw/zinc/96/18/33/584961833.db2.gz UMKNWZMNQUFNCH-LLVKDONJSA-N 0 0 220.312 3.583 20 0 BHADRN Cc1cccc(OC(=O)[C@H](C)C(C)(C)C)c1 ZINC000734387801 584961951 /nfs/dbraw/zinc/96/19/51/584961951.db2.gz UMKNWZMNQUFNCH-NSHDSACASA-N 0 0 220.312 3.583 20 0 BHADRN C[C@@H](C(=O)OCc1ccccc1F)C(C)(C)C ZINC000734387850 584961875 /nfs/dbraw/zinc/96/18/75/584961875.db2.gz VSIOKSCBFFABMM-JTQLQIEISA-N 0 0 238.302 3.551 20 0 BHADRN C[C@H](C(=O)OCc1ccccc1F)C(C)(C)C ZINC000734387851 584962018 /nfs/dbraw/zinc/96/20/18/584962018.db2.gz VSIOKSCBFFABMM-SNVBAGLBSA-N 0 0 238.302 3.551 20 0 BHADRN C[C@H](C(=O)Oc1ccccc1Cl)C(C)(C)C ZINC000734388126 584961972 /nfs/dbraw/zinc/96/19/72/584961972.db2.gz XQNKQSVYBMOCEF-SECBINFHSA-N 0 0 240.730 3.928 20 0 BHADRN C[C@@H](C(=O)Oc1ccccc1Cl)C(C)(C)C ZINC000734388129 584961850 /nfs/dbraw/zinc/96/18/50/584961850.db2.gz XQNKQSVYBMOCEF-VIFPVBQESA-N 0 0 240.730 3.928 20 0 BHADRN C[C@H](C(=O)Oc1c(F)cccc1F)C(C)(C)C ZINC000734388208 584961904 /nfs/dbraw/zinc/96/19/04/584961904.db2.gz FCZHYLXOCRKPNQ-MRVPVSSYSA-N 0 0 242.265 3.552 20 0 BHADRN C[C@@H](C(=O)Oc1c(F)cccc1F)C(C)(C)C ZINC000734388211 584961897 /nfs/dbraw/zinc/96/18/97/584961897.db2.gz FCZHYLXOCRKPNQ-QMMMGPOBSA-N 0 0 242.265 3.552 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](C)C(C)(C)C)c1C ZINC000734388266 584961952 /nfs/dbraw/zinc/96/19/52/584961952.db2.gz YLAYYBAOMZMSDZ-GFCCVEGCSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1cccc(OC(=O)[C@H](C)C(C)(C)C)c1C ZINC000734388267 584961949 /nfs/dbraw/zinc/96/19/49/584961949.db2.gz YLAYYBAOMZMSDZ-LBPRGKRZSA-N 0 0 234.339 3.891 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC000734388276 584961910 /nfs/dbraw/zinc/96/19/10/584961910.db2.gz YYWSFKSXRCMITJ-NEPJUHHUSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC000734388277 584961984 /nfs/dbraw/zinc/96/19/84/584961984.db2.gz YYWSFKSXRCMITJ-NWDGAFQWSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC000734388278 584961993 /nfs/dbraw/zinc/96/19/93/584961993.db2.gz YYWSFKSXRCMITJ-RYUDHWBXSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC000734388279 584961911 /nfs/dbraw/zinc/96/19/11/584961911.db2.gz YYWSFKSXRCMITJ-VXGBXAGGSA-N 0 0 227.392 3.754 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC000734388315 584961880 /nfs/dbraw/zinc/96/18/80/584961880.db2.gz ZQHWIBWPJNIKTB-GFCCVEGCSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1ccc(OC(=O)[C@H](C)C(C)(C)C)cc1C ZINC000734388316 584961837 /nfs/dbraw/zinc/96/18/37/584961837.db2.gz ZQHWIBWPJNIKTB-LBPRGKRZSA-N 0 0 234.339 3.891 20 0 BHADRN C[C@H](C(=O)OC1CCCCCC1)C(C)(C)C ZINC000734388325 584961907 /nfs/dbraw/zinc/96/19/07/584961907.db2.gz ZXTPWIVJUAPDCM-LLVKDONJSA-N 0 0 226.360 3.935 20 0 BHADRN C[C@@H](C(=O)OC1CCCCCC1)C(C)(C)C ZINC000734388326 584961851 /nfs/dbraw/zinc/96/18/51/584961851.db2.gz ZXTPWIVJUAPDCM-NSHDSACASA-N 0 0 226.360 3.935 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)C(C)(C)C)cc1C ZINC000734388791 584962105 /nfs/dbraw/zinc/96/21/05/584962105.db2.gz ARCSLIKKYFSQGD-CYBMUJFWSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)C(C)(C)C)cc1C ZINC000734388792 584961861 /nfs/dbraw/zinc/96/18/61/584961861.db2.gz ARCSLIKKYFSQGD-ZDUSSCGKSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)C(C)(C)C)c(C)c1 ZINC000734389020 584961931 /nfs/dbraw/zinc/96/19/31/584961931.db2.gz CEWDKBKAVWVRDO-CYBMUJFWSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)C(C)(C)C)c(C)c1 ZINC000734389021 584962011 /nfs/dbraw/zinc/96/20/11/584962011.db2.gz CEWDKBKAVWVRDO-ZDUSSCGKSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](C)C(C)(C)C)c(C)c1 ZINC000734389336 584961896 /nfs/dbraw/zinc/96/18/96/584961896.db2.gz QIRBWGODFFMXKR-GFCCVEGCSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1ccc(OC(=O)[C@H](C)C(C)(C)C)c(C)c1 ZINC000734389337 584961935 /nfs/dbraw/zinc/96/19/35/584961935.db2.gz QIRBWGODFFMXKR-LBPRGKRZSA-N 0 0 234.339 3.891 20 0 BHADRN C[C@H](C(=O)Oc1cccc(F)c1F)C(C)(C)C ZINC000734390127 584961873 /nfs/dbraw/zinc/96/18/73/584961873.db2.gz DIEXLEKEBUIIEL-MRVPVSSYSA-N 0 0 242.265 3.552 20 0 BHADRN C[C@@H](C(=O)Oc1cccc(F)c1F)C(C)(C)C ZINC000734390128 584962071 /nfs/dbraw/zinc/96/20/71/584962071.db2.gz DIEXLEKEBUIIEL-QMMMGPOBSA-N 0 0 242.265 3.552 20 0 BHADRN C[C@H](C(=O)Oc1cc(F)cc(F)c1)C(C)(C)C ZINC000734393823 584961326 /nfs/dbraw/zinc/96/13/26/584961326.db2.gz XVXWQNHXXQHTQO-MRVPVSSYSA-N 0 0 242.265 3.552 20 0 BHADRN C[C@@H](C(=O)Oc1cc(F)cc(F)c1)C(C)(C)C ZINC000734393824 584961409 /nfs/dbraw/zinc/96/14/09/584961409.db2.gz XVXWQNHXXQHTQO-QMMMGPOBSA-N 0 0 242.265 3.552 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)C(C)(C)C)cc1 ZINC000734394458 584961329 /nfs/dbraw/zinc/96/13/29/584961329.db2.gz YYVFQYQXDOQPQW-GFCCVEGCSA-N 0 0 233.355 3.640 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)C(C)(C)C)cc1 ZINC000734394459 584961415 /nfs/dbraw/zinc/96/14/15/584961415.db2.gz YYVFQYQXDOQPQW-LBPRGKRZSA-N 0 0 233.355 3.640 20 0 BHADRN CC(C)=CC(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000734399219 584961452 /nfs/dbraw/zinc/96/14/52/584961452.db2.gz HRTUFKZLMKDGQV-CYBMUJFWSA-N 0 0 239.403 3.920 20 0 BHADRN CC(C)=CC(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000734399220 584961418 /nfs/dbraw/zinc/96/14/18/584961418.db2.gz HRTUFKZLMKDGQV-ZDUSSCGKSA-N 0 0 239.403 3.920 20 0 BHADRN C/C=C/C(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000734399247 584961300 /nfs/dbraw/zinc/96/13/00/584961300.db2.gz IRENKKRFOWSWOF-ABZNLYFFSA-N 0 0 225.376 3.530 20 0 BHADRN C/C=C/C(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000734399248 584961281 /nfs/dbraw/zinc/96/12/81/584961281.db2.gz IRENKKRFOWSWOF-GUOLPTJISA-N 0 0 225.376 3.530 20 0 BHADRN C/C=C\C(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000734399249 584961287 /nfs/dbraw/zinc/96/12/87/584961287.db2.gz IRENKKRFOWSWOF-KRZKBDHCSA-N 0 0 225.376 3.530 20 0 BHADRN C/C=C\C(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000734399250 584961354 /nfs/dbraw/zinc/96/13/54/584961354.db2.gz IRENKKRFOWSWOF-QDZRJHCZSA-N 0 0 225.376 3.530 20 0 BHADRN O=C(C=C1CCCCC1)N(CC1CC1)CC1CC1 ZINC000734400444 584961410 /nfs/dbraw/zinc/96/14/10/584961410.db2.gz QPRJXVNWNZAZIZ-UHFFFAOYSA-N 0 0 247.382 3.526 20 0 BHADRN CC/C=C(/C)C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000734401966 584961314 /nfs/dbraw/zinc/96/13/14/584961314.db2.gz HYJIFVOIBAHOHF-DIWZIYAFSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C=C(\C)C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000734401967 584961188 /nfs/dbraw/zinc/96/11/88/584961188.db2.gz HYJIFVOIBAHOHF-GADNCJQESA-N 0 0 237.387 3.675 20 0 BHADRN CC/C=C(/C)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000734401968 584961262 /nfs/dbraw/zinc/96/12/62/584961262.db2.gz HYJIFVOIBAHOHF-PPCLIVFPSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C=C(\C)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000734401969 584961275 /nfs/dbraw/zinc/96/12/75/584961275.db2.gz HYJIFVOIBAHOHF-RDYHHYPBSA-N 0 0 237.387 3.675 20 0 BHADRN C[C@H]1CCC[C@H](CCNC(=O)C=C2CCCC2)C1 ZINC000734405513 584961540 /nfs/dbraw/zinc/96/15/40/584961540.db2.gz PEJLNFYBPQUDPN-DZGCQCFKSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@@H]1CCC[C@@H](CCNC(=O)C=C2CCCC2)C1 ZINC000734405515 584961685 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584961488 /nfs/dbraw/zinc/96/14/88/584961488.db2.gz VIYAKKVXDNEJDQ-YNQFSJHESA-N 0 0 249.398 3.675 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](C)c1cccc(C)c1C ZINC000734411209 584961692 /nfs/dbraw/zinc/96/16/92/584961692.db2.gz FCCGEUFIMYZTJZ-GTBWAVTESA-N 0 0 243.350 3.613 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000734411213 584961545 /nfs/dbraw/zinc/96/15/45/584961545.db2.gz FCCGEUFIMYZTJZ-HDMPFJSOSA-N 0 0 243.350 3.613 20 0 BHADRN CC(C)CCCCCCNC(=O)CCC1CC1 ZINC000734422661 584961879 /nfs/dbraw/zinc/96/18/79/584961879.db2.gz DPBIJSWIBXLKRF-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC/C=C/C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000734465218 584962816 /nfs/dbraw/zinc/96/28/16/584962816.db2.gz XDMAEFMVIASHRC-JEELVDDXSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C=C/C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000734465219 584962877 /nfs/dbraw/zinc/96/28/77/584962877.db2.gz XDMAEFMVIASHRC-OQOLLCEYSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C=C\C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000734465220 584962800 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C[C@H](C(=O)OC/C=C/c1ccccc1)C(C)(C)C ZINC000734622593 584965776 /nfs/dbraw/zinc/96/57/76/584965776.db2.gz OKADAJKVPWDTDI-RUNBWSAHSA-N 0 0 246.350 3.925 20 0 BHADRN C[C@@H](C(=O)OC/C=C/c1ccccc1)C(C)(C)C ZINC000734622594 584965639 /nfs/dbraw/zinc/96/56/39/584965639.db2.gz OKADAJKVPWDTDI-YKWSONSWSA-N 0 0 246.350 3.925 20 0 BHADRN C[C@@H](C(=O)OC/C=C\c1ccccc1)C(C)(C)C ZINC000734622595 584965711 /nfs/dbraw/zinc/96/57/11/584965711.db2.gz OKADAJKVPWDTDI-ZWXCPPHNSA-N 0 0 246.350 3.925 20 0 BHADRN C[C@@H](C(=O)OCCc1cccs1)C(C)(C)C ZINC000734624188 584965728 /nfs/dbraw/zinc/96/57/28/584965728.db2.gz YSFNNNNXBDZLQR-JTQLQIEISA-N 0 0 240.368 3.516 20 0 BHADRN C[C@H](C(=O)OCCc1cccs1)C(C)(C)C ZINC000734624189 584965793 /nfs/dbraw/zinc/96/57/93/584965793.db2.gz YSFNNNNXBDZLQR-SNVBAGLBSA-N 0 0 240.368 3.516 20 0 BHADRN Cc1ccc(COC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC000734626239 584965971 /nfs/dbraw/zinc/96/59/71/584965971.db2.gz GKNWYGOTSJDZNF-GFCCVEGCSA-N 0 0 234.339 3.720 20 0 BHADRN Cc1ccc(COC(=O)[C@H](C)C(C)(C)C)cc1 ZINC000734626240 584966022 /nfs/dbraw/zinc/96/60/22/584966022.db2.gz GKNWYGOTSJDZNF-LBPRGKRZSA-N 0 0 234.339 3.720 20 0 BHADRN C[C@@H](C(=O)OCCc1ccsc1)C(C)(C)C ZINC000734626822 584966029 /nfs/dbraw/zinc/96/60/29/584966029.db2.gz JSYCBBJOUCHVQH-JTQLQIEISA-N 0 0 240.368 3.516 20 0 BHADRN C[C@H](C(=O)OCCc1ccsc1)C(C)(C)C ZINC000734626823 584965960 /nfs/dbraw/zinc/96/59/60/584965960.db2.gz JSYCBBJOUCHVQH-SNVBAGLBSA-N 0 0 240.368 3.516 20 0 BHADRN Cc1ccccc1COC(=O)[C@@H](C)C(C)(C)C ZINC000734627002 584965928 /nfs/dbraw/zinc/96/59/28/584965928.db2.gz LIUOTZWQZQKONR-GFCCVEGCSA-N 0 0 234.339 3.720 20 0 BHADRN Cc1ccccc1COC(=O)[C@H](C)C(C)(C)C ZINC000734627003 584965880 /nfs/dbraw/zinc/96/58/80/584965880.db2.gz LIUOTZWQZQKONR-LBPRGKRZSA-N 0 0 234.339 3.720 20 0 BHADRN C[C@@H](C(=O)OCc1cccc(F)c1)C(C)(C)C ZINC000734627594 584966007 /nfs/dbraw/zinc/96/60/07/584966007.db2.gz PZJAYLYGKASZLD-JTQLQIEISA-N 0 0 238.302 3.551 20 0 BHADRN C[C@H](C(=O)OCc1cccc(F)c1)C(C)(C)C ZINC000734627595 584965944 /nfs/dbraw/zinc/96/59/44/584965944.db2.gz PZJAYLYGKASZLD-SNVBAGLBSA-N 0 0 238.302 3.551 20 0 BHADRN CC(C)CCOC(=O)C[C@@H]1CCc2ccccc21 ZINC000734629088 584965962 /nfs/dbraw/zinc/96/59/62/584965962.db2.gz OAWGDDCKEUHXMF-AWEZNQCLSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)CCOC(=O)C[C@H]1CCc2ccccc21 ZINC000734629089 584966032 /nfs/dbraw/zinc/96/60/32/584966032.db2.gz OAWGDDCKEUHXMF-CQSZACIVSA-N 0 0 246.350 3.696 20 0 BHADRN CCCCCOC(=O)C[C@@H]1CCc2ccccc21 ZINC000734632555 584965321 /nfs/dbraw/zinc/96/53/21/584965321.db2.gz VPQQWUWIPSOIKQ-AWEZNQCLSA-N 0 0 246.350 3.840 20 0 BHADRN CCCCCOC(=O)C[C@H]1CCc2ccccc21 ZINC000734632556 584965368 /nfs/dbraw/zinc/96/53/68/584965368.db2.gz VPQQWUWIPSOIKQ-CQSZACIVSA-N 0 0 246.350 3.840 20 0 BHADRN Cc1ccccc1NC(=O)NC[C@@H](C)C(C)(C)C ZINC000734638778 584966265 /nfs/dbraw/zinc/96/62/65/584966265.db2.gz QWNIPBDJKPYMFJ-GFCCVEGCSA-N 0 0 248.370 3.799 20 0 BHADRN Cc1ccccc1NC(=O)NC[C@H](C)C(C)(C)C ZINC000734638779 584966286 /nfs/dbraw/zinc/96/62/86/584966286.db2.gz QWNIPBDJKPYMFJ-LBPRGKRZSA-N 0 0 248.370 3.799 20 0 BHADRN CC/C=C/CCOC(=O)[C@H](C)C(C)(C)C ZINC000734707038 584966816 /nfs/dbraw/zinc/96/68/16/584966816.db2.gz FJPSOXMKEHQKBN-AEZGRPFRSA-N 0 0 212.333 3.568 20 0 BHADRN CC/C=C\CCOC(=O)[C@@H](C)C(C)(C)C ZINC000734707039 584966734 /nfs/dbraw/zinc/96/67/34/584966734.db2.gz FJPSOXMKEHQKBN-SKVAFPRGSA-N 0 0 212.333 3.568 20 0 BHADRN CC/C=C\CCOC(=O)[C@H](C)C(C)(C)C ZINC000734707040 584966663 /nfs/dbraw/zinc/96/66/63/584966663.db2.gz FJPSOXMKEHQKBN-TVRMLOFPSA-N 0 0 212.333 3.568 20 0 BHADRN CC/C=C/CCOC(=O)[C@@H](C)C(C)(C)C ZINC000734707041 584966830 /nfs/dbraw/zinc/96/68/30/584966830.db2.gz FJPSOXMKEHQKBN-WSKFYRRCSA-N 0 0 212.333 3.568 20 0 BHADRN C[C@H](OC(=O)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000734707144 584966870 /nfs/dbraw/zinc/96/68/70/584966870.db2.gz HYHFXWLLJUSWEV-NEPJUHHUSA-N 0 0 234.339 3.973 20 0 BHADRN C[C@@H](OC(=O)[C@H](C)C(C)(C)C)c1ccccc1 ZINC000734707145 584966780 /nfs/dbraw/zinc/96/67/80/584966780.db2.gz HYHFXWLLJUSWEV-NWDGAFQWSA-N 0 0 234.339 3.973 20 0 BHADRN C[C@@H](C(=O)O[C@@H](C)c1ccccc1)C(C)(C)C ZINC000734707146 584966778 /nfs/dbraw/zinc/96/67/78/584966778.db2.gz HYHFXWLLJUSWEV-RYUDHWBXSA-N 0 0 234.339 3.973 20 0 BHADRN C[C@@H](OC(=O)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000734707147 584966754 /nfs/dbraw/zinc/96/67/54/584966754.db2.gz HYHFXWLLJUSWEV-VXGBXAGGSA-N 0 0 234.339 3.973 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)CCC1CC1 ZINC000734707386 584966819 /nfs/dbraw/zinc/96/68/19/584966819.db2.gz KNBSNQGCXULHTF-LBPRGKRZSA-N 0 0 232.323 3.789 20 0 BHADRN CC/C=C/COC(=O)C(C)(C)c1cccs1 ZINC000734707888 584966972 /nfs/dbraw/zinc/96/69/72/584966972.db2.gz PCDRHLXYLZFNAH-AATRIKPKSA-N 0 0 238.352 3.535 20 0 BHADRN CC/C=C\COC(=O)C(C)(C)c1cccs1 ZINC000734707891 584967039 /nfs/dbraw/zinc/96/70/39/584967039.db2.gz PCDRHLXYLZFNAH-WAYWQWQTSA-N 0 0 238.352 3.535 20 0 BHADRN CC(C)CCCOC(=O)[C@@H](C)C(C)(C)C ZINC000734708322 584967025 /nfs/dbraw/zinc/96/70/25/584967025.db2.gz DBIWCTGQMLODNO-LLVKDONJSA-N 0 0 214.349 3.648 20 0 BHADRN CC(C)CCCOC(=O)[C@H](C)C(C)(C)C ZINC000734708323 584966937 /nfs/dbraw/zinc/96/69/37/584966937.db2.gz DBIWCTGQMLODNO-NSHDSACASA-N 0 0 214.349 3.648 20 0 BHADRN CC/C=C/COC(=O)C[C@H]1CCc2ccccc21 ZINC000734709079 584966928 /nfs/dbraw/zinc/96/69/28/584966928.db2.gz ZGRIYTBSBDBROS-BOTMBNHJSA-N 0 0 244.334 3.616 20 0 BHADRN CC/C=C\COC(=O)C[C@H]1CCc2ccccc21 ZINC000734709081 584967031 /nfs/dbraw/zinc/96/70/31/584967031.db2.gz ZGRIYTBSBDBROS-JHAQOBCDSA-N 0 0 244.334 3.616 20 0 BHADRN CC/C=C\COC(=O)C[C@@H]1CCc2ccccc21 ZINC000734709082 584966980 /nfs/dbraw/zinc/96/69/80/584966980.db2.gz ZGRIYTBSBDBROS-XSHSDMCLSA-N 0 0 244.334 3.616 20 0 BHADRN CC/C=C/COC(=O)C[C@@H]1CCc2ccccc21 ZINC000734709084 584967096 /nfs/dbraw/zinc/96/70/96/584967096.db2.gz ZGRIYTBSBDBROS-ZRFDWSJLSA-N 0 0 244.334 3.616 20 0 BHADRN O=C(CCC1CC1)OC1CCCCCCC1 ZINC000734709730 584966957 /nfs/dbraw/zinc/96/69/57/584966957.db2.gz XUUPLCPYHCWOQN-UHFFFAOYSA-N 0 0 224.344 3.833 20 0 BHADRN CC(C)(C)COC(=O)C[C@H]1CCc2ccccc21 ZINC000734711208 584967034 /nfs/dbraw/zinc/96/70/34/584967034.db2.gz CCEOZPMPHOETCH-CYBMUJFWSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)(C)COC(=O)C[C@@H]1CCc2ccccc21 ZINC000734711211 584967095 /nfs/dbraw/zinc/96/70/95/584967095.db2.gz CCEOZPMPHOETCH-ZDUSSCGKSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)(COC(=O)CCC1CC1)c1ccccc1 ZINC000734711372 584967057 /nfs/dbraw/zinc/96/70/57/584967057.db2.gz VRRHPFNSULDDHT-UHFFFAOYSA-N 0 0 246.350 3.698 20 0 BHADRN C[C@H](Cc1ccccc1)OC(=O)[C@@H](C)C(C)(C)C ZINC000734711626 584966925 /nfs/dbraw/zinc/96/69/25/584966925.db2.gz PJTHUQNILYMNMU-CHWSQXEVSA-N 0 0 248.366 3.843 20 0 BHADRN C[C@H](Cc1ccccc1)OC(=O)[C@H](C)C(C)(C)C ZINC000734711628 584966900 /nfs/dbraw/zinc/96/69/00/584966900.db2.gz PJTHUQNILYMNMU-OLZOCXBDSA-N 0 0 248.366 3.843 20 0 BHADRN C[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)C(C)(C)C ZINC000734711632 584967051 /nfs/dbraw/zinc/96/70/51/584967051.db2.gz PJTHUQNILYMNMU-QWHCGFSZSA-N 0 0 248.366 3.843 20 0 BHADRN C[C@@H](C(=O)O[C@@H](C)Cc1ccccc1)C(C)(C)C ZINC000734711634 584966978 /nfs/dbraw/zinc/96/69/78/584966978.db2.gz PJTHUQNILYMNMU-STQMWFEESA-N 0 0 248.366 3.843 20 0 BHADRN C[C@@H](C(=O)OCCSC(C)(C)C)C(C)(C)C ZINC000734711935 584966920 /nfs/dbraw/zinc/96/69/20/584966920.db2.gz IJFRGLVDJXCOLA-JTQLQIEISA-N 0 0 246.416 3.744 20 0 BHADRN C[C@H](C(=O)OCCSC(C)(C)C)C(C)(C)C ZINC000734711936 584966982 /nfs/dbraw/zinc/96/69/82/584966982.db2.gz IJFRGLVDJXCOLA-SNVBAGLBSA-N 0 0 246.416 3.744 20 0 BHADRN CC[C@@H](COC(=O)CCC1CC1)c1ccccc1 ZINC000734712042 584966924 /nfs/dbraw/zinc/96/69/24/584966924.db2.gz QMLHJBSDRQNXCO-AWEZNQCLSA-N 0 0 246.350 3.914 20 0 BHADRN CC[C@H](COC(=O)CCC1CC1)c1ccccc1 ZINC000734712044 584966876 /nfs/dbraw/zinc/96/68/76/584966876.db2.gz QMLHJBSDRQNXCO-CQSZACIVSA-N 0 0 246.350 3.914 20 0 BHADRN C[C@H](C(=O)OCCC1CCCC1)C(C)(C)C ZINC000734712093 584966878 /nfs/dbraw/zinc/96/68/78/584966878.db2.gz KRORLYFATMYMCG-LLVKDONJSA-N 0 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CC[C@@H](C)C(=O)O[C@H]1CCC[C@@H](CC)C1 ZINC000734721297 584966445 /nfs/dbraw/zinc/96/64/45/584966445.db2.gz CFHZAFUICSWHHC-UTUOFQBUSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)c2cccs2)C1 ZINC000734721298 584966457 /nfs/dbraw/zinc/96/64/57/584966457.db2.gz CKWLONKBEMQCCG-GHMZBOCLSA-N 0 0 238.352 3.874 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)c2cccs2)C1 ZINC000734721299 584966556 /nfs/dbraw/zinc/96/65/56/584966556.db2.gz CKWLONKBEMQCCG-MNOVXSKESA-N 0 0 238.352 3.874 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)c2cccs2)C1 ZINC000734721300 584966619 /nfs/dbraw/zinc/96/66/19/584966619.db2.gz CKWLONKBEMQCCG-QWRGUYRKSA-N 0 0 238.352 3.874 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)c2cccs2)C1 ZINC000734721301 584966419 /nfs/dbraw/zinc/96/64/19/584966419.db2.gz CKWLONKBEMQCCG-WDEREUQCSA-N 0 0 238.352 3.874 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)c2ccc(C)o2)C1 ZINC000734721977 584966437 /nfs/dbraw/zinc/96/64/37/584966437.db2.gz AXOUYVFHZFXLDP-NEPJUHHUSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)c2ccc(C)o2)C1 ZINC000734721978 584966447 /nfs/dbraw/zinc/96/64/47/584966447.db2.gz AXOUYVFHZFXLDP-NWDGAFQWSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)c2ccc(C)o2)C1 ZINC000734721979 584966599 /nfs/dbraw/zinc/96/65/99/584966599.db2.gz AXOUYVFHZFXLDP-RYUDHWBXSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)c2ccc(C)o2)C1 ZINC000734721980 584966428 /nfs/dbraw/zinc/96/64/28/584966428.db2.gz AXOUYVFHZFXLDP-VXGBXAGGSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)CC(C)C)C1 ZINC000734722015 584966529 /nfs/dbraw/zinc/96/65/29/584966529.db2.gz IVRJCSWJDOMVNK-NEPJUHHUSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)CC(C)C)C1 ZINC000734722016 584966440 /nfs/dbraw/zinc/96/64/40/584966440.db2.gz IVRJCSWJDOMVNK-NWDGAFQWSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)CC(C)C)C1 ZINC000734722017 584966629 /nfs/dbraw/zinc/96/66/29/584966629.db2.gz IVRJCSWJDOMVNK-RYUDHWBXSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)CC(C)C)C1 ZINC000734722018 584966634 /nfs/dbraw/zinc/96/66/34/584966634.db2.gz IVRJCSWJDOMVNK-VXGBXAGGSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)CSC(C)C)C1 ZINC000734722289 584966416 /nfs/dbraw/zinc/96/64/16/584966416.db2.gz DDUMKCLHDAKDMK-NEPJUHHUSA-N 0 0 244.400 3.640 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)CSC(C)C)C1 ZINC000734722290 584966468 /nfs/dbraw/zinc/96/64/68/584966468.db2.gz DDUMKCLHDAKDMK-NWDGAFQWSA-N 0 0 244.400 3.640 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)CSC(C)C)C1 ZINC000734722291 584966436 /nfs/dbraw/zinc/96/64/36/584966436.db2.gz DDUMKCLHDAKDMK-RYUDHWBXSA-N 0 0 244.400 3.640 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)CSC(C)C)C1 ZINC000734722292 584966625 /nfs/dbraw/zinc/96/66/25/584966625.db2.gz DDUMKCLHDAKDMK-VXGBXAGGSA-N 0 0 244.400 3.640 20 0 BHADRN CCCSCC(=O)O[C@H]1CCC[C@@H](CC)C1 ZINC000734723010 584966875 /nfs/dbraw/zinc/96/68/75/584966875.db2.gz OVKHOOJUACTPID-NEPJUHHUSA-N 0 0 244.400 3.642 20 0 BHADRN CCCSCC(=O)O[C@@H]1CCC[C@H](CC)C1 ZINC000734723011 584966869 /nfs/dbraw/zinc/96/68/69/584966869.db2.gz OVKHOOJUACTPID-NWDGAFQWSA-N 0 0 244.400 3.642 20 0 BHADRN CCCSCC(=O)O[C@H]1CCC[C@H](CC)C1 ZINC000734723012 584966759 /nfs/dbraw/zinc/96/67/59/584966759.db2.gz OVKHOOJUACTPID-RYUDHWBXSA-N 0 0 244.400 3.642 20 0 BHADRN CCCSCC(=O)O[C@@H]1CCC[C@@H](CC)C1 ZINC000734723013 584966791 /nfs/dbraw/zinc/96/67/91/584966791.db2.gz OVKHOOJUACTPID-VXGBXAGGSA-N 0 0 244.400 3.642 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)C[C@H]2C=CCC2)C1 ZINC000734723487 584966817 /nfs/dbraw/zinc/96/68/17/584966817.db2.gz RYJVRLWKZKZNSX-HZSPNIEDSA-N 0 0 236.355 3.855 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)C[C@@H]2C=CCC2)C1 ZINC000734723488 584966666 /nfs/dbraw/zinc/96/66/66/584966666.db2.gz RYJVRLWKZKZNSX-MCIONIFRSA-N 0 0 236.355 3.855 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)C[C@@H]2C=CCC2)C1 ZINC000734723490 584966763 /nfs/dbraw/zinc/96/67/63/584966763.db2.gz RYJVRLWKZKZNSX-MGPQQGTHSA-N 0 0 236.355 3.855 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)C[C@H]2C=CCC2)C1 ZINC000734723492 584966845 /nfs/dbraw/zinc/96/68/45/584966845.db2.gz RYJVRLWKZKZNSX-RDBSUJKOSA-N 0 0 236.355 3.855 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)c2ccoc2C)C1 ZINC000734723494 584966854 /nfs/dbraw/zinc/96/68/54/584966854.db2.gz RZVJMQFIFWTEQI-NEPJUHHUSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)c2ccoc2C)C1 ZINC000734723495 584966810 /nfs/dbraw/zinc/96/68/10/584966810.db2.gz RZVJMQFIFWTEQI-NWDGAFQWSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)c2ccoc2C)C1 ZINC000734723497 584966677 /nfs/dbraw/zinc/96/66/77/584966677.db2.gz RZVJMQFIFWTEQI-RYUDHWBXSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)c2ccoc2C)C1 ZINC000734723499 584966787 /nfs/dbraw/zinc/96/67/87/584966787.db2.gz RZVJMQFIFWTEQI-VXGBXAGGSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)CCC2CC2)C1 ZINC000734723507 584966687 /nfs/dbraw/zinc/96/66/87/584966687.db2.gz SBSSSGOTEDPWRF-AAEUAGOBSA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)CCC2CC2)C1 ZINC000734723508 584966767 /nfs/dbraw/zinc/96/67/67/584966767.db2.gz SBSSSGOTEDPWRF-DGCLKSJQSA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)CCC2CC2)C1 ZINC000734723509 584966699 /nfs/dbraw/zinc/96/66/99/584966699.db2.gz SBSSSGOTEDPWRF-WCQYABFASA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)CCC2CC2)C1 ZINC000734723510 584966761 /nfs/dbraw/zinc/96/67/61/584966761.db2.gz SBSSSGOTEDPWRF-YPMHNXCESA-N 0 0 224.344 3.689 20 0 BHADRN CCCCC(=O)O[C@H]1CCC[C@@H](CC)C1 ZINC000734724215 584966826 /nfs/dbraw/zinc/96/68/26/584966826.db2.gz XMVCEPCQMXJHRY-NEPJUHHUSA-N 0 0 212.333 3.689 20 0 BHADRN CCCCC(=O)O[C@@H]1CCC[C@H](CC)C1 ZINC000734724217 584966685 /nfs/dbraw/zinc/96/66/85/584966685.db2.gz XMVCEPCQMXJHRY-NWDGAFQWSA-N 0 0 212.333 3.689 20 0 BHADRN CCCCC(=O)O[C@H]1CCC[C@H](CC)C1 ZINC000734724219 584966855 /nfs/dbraw/zinc/96/68/55/584966855.db2.gz XMVCEPCQMXJHRY-RYUDHWBXSA-N 0 0 212.333 3.689 20 0 BHADRN CCCCC(=O)O[C@@H]1CCC[C@@H](CC)C1 ZINC000734724222 584966682 /nfs/dbraw/zinc/96/66/82/584966682.db2.gz XMVCEPCQMXJHRY-VXGBXAGGSA-N 0 0 212.333 3.689 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)C(C)(C)C)C1 ZINC000734724343 584966733 /nfs/dbraw/zinc/96/67/33/584966733.db2.gz YAYRVHKCJCIRAD-GHMZBOCLSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)C(C)(C)C)C1 ZINC000734724345 584966861 /nfs/dbraw/zinc/96/68/61/584966861.db2.gz YAYRVHKCJCIRAD-MNOVXSKESA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)C(C)(C)C)C1 ZINC000734724346 584966660 /nfs/dbraw/zinc/96/66/60/584966660.db2.gz YAYRVHKCJCIRAD-QWRGUYRKSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)C(C)(C)C)C1 ZINC000734724348 584966748 /nfs/dbraw/zinc/96/67/48/584966748.db2.gz YAYRVHKCJCIRAD-WDEREUQCSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)[C@H]2CC=CCC2)C1 ZINC000734724365 584966714 /nfs/dbraw/zinc/96/67/14/584966714.db2.gz YIELLNTVVTUZTJ-HZSPNIEDSA-N 0 0 236.355 3.855 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)[C@@H]2CC=CCC2)C1 ZINC000734724366 584966693 /nfs/dbraw/zinc/96/66/93/584966693.db2.gz YIELLNTVVTUZTJ-MCIONIFRSA-N 0 0 236.355 3.855 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC=CCC2)C1 ZINC000734724367 584966713 /nfs/dbraw/zinc/96/67/13/584966713.db2.gz YIELLNTVVTUZTJ-MGPQQGTHSA-N 0 0 236.355 3.855 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)[C@H]2CC=CCC2)C1 ZINC000734724368 584966804 /nfs/dbraw/zinc/96/68/04/584966804.db2.gz YIELLNTVVTUZTJ-RDBSUJKOSA-N 0 0 236.355 3.855 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)/C=C/c2ccco2)C1 ZINC000734724598 584966668 /nfs/dbraw/zinc/96/66/68/584966668.db2.gz GGVMXVBWRCNVKC-JWEWWIMNSA-N 0 0 248.322 3.805 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)/C=C\c2ccco2)C1 ZINC000734724599 584966721 /nfs/dbraw/zinc/96/67/21/584966721.db2.gz GGVMXVBWRCNVKC-RXHJEXLESA-N 0 0 248.322 3.805 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)/C=C/c2ccco2)C1 ZINC000734724600 584966658 /nfs/dbraw/zinc/96/66/58/584966658.db2.gz GGVMXVBWRCNVKC-UWCZFHCBSA-N 0 0 248.322 3.805 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)/C=C\c2ccco2)C1 ZINC000734724601 584966851 /nfs/dbraw/zinc/96/68/51/584966851.db2.gz GGVMXVBWRCNVKC-WXRQEABKSA-N 0 0 248.322 3.805 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)C2CCCC2)C1 ZINC000734726082 584966745 /nfs/dbraw/zinc/96/67/45/584966745.db2.gz PRHHMMKPYVLAOK-AAEUAGOBSA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)C2CCCC2)C1 ZINC000734726084 584966690 /nfs/dbraw/zinc/96/66/90/584966690.db2.gz PRHHMMKPYVLAOK-DGCLKSJQSA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)C2CCCC2)C1 ZINC000734726085 584966757 /nfs/dbraw/zinc/96/67/57/584966757.db2.gz PRHHMMKPYVLAOK-WCQYABFASA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)C2CCCC2)C1 ZINC000734726086 584966755 /nfs/dbraw/zinc/96/67/55/584966755.db2.gz PRHHMMKPYVLAOK-YPMHNXCESA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)CCC(C)(F)F)C1 ZINC000734726456 584966720 /nfs/dbraw/zinc/96/67/20/584966720.db2.gz RQSGVVFNMJFSAV-GHMZBOCLSA-N 0 0 248.313 3.934 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)CCC(C)(F)F)C1 ZINC000734726457 584966692 /nfs/dbraw/zinc/96/66/92/584966692.db2.gz RQSGVVFNMJFSAV-MNOVXSKESA-N 0 0 248.313 3.934 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)CCC(C)(F)F)C1 ZINC000734726458 584966737 /nfs/dbraw/zinc/96/67/37/584966737.db2.gz RQSGVVFNMJFSAV-QWRGUYRKSA-N 0 0 248.313 3.934 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)CCC(C)(F)F)C1 ZINC000734726459 584966691 /nfs/dbraw/zinc/96/66/91/584966691.db2.gz RQSGVVFNMJFSAV-WDEREUQCSA-N 0 0 248.313 3.934 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)c2ccsc2)C1 ZINC000734727292 584966863 /nfs/dbraw/zinc/96/68/63/584966863.db2.gz VBOMWQYRXFLSNG-CMPLNLGQSA-N 0 0 238.352 3.874 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)c2ccsc2)C1 ZINC000734727294 584966735 /nfs/dbraw/zinc/96/67/35/584966735.db2.gz VBOMWQYRXFLSNG-JQWIXIFHSA-N 0 0 238.352 3.874 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)c2ccsc2)C1 ZINC000734727295 584966718 /nfs/dbraw/zinc/96/67/18/584966718.db2.gz VBOMWQYRXFLSNG-PWSUYJOCSA-N 0 0 238.352 3.874 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)c2ccsc2)C1 ZINC000734727297 584966728 /nfs/dbraw/zinc/96/67/28/584966728.db2.gz VBOMWQYRXFLSNG-ZYHUDNBSSA-N 0 0 238.352 3.874 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)c2occc2C)C1 ZINC000734728207 584966731 /nfs/dbraw/zinc/96/67/31/584966731.db2.gz ZCDQFZQKBFAHNK-NEPJUHHUSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)c2occc2C)C1 ZINC000734728208 584966839 /nfs/dbraw/zinc/96/68/39/584966839.db2.gz ZCDQFZQKBFAHNK-NWDGAFQWSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)c2occc2C)C1 ZINC000734728210 584966762 /nfs/dbraw/zinc/96/67/62/584966762.db2.gz ZCDQFZQKBFAHNK-RYUDHWBXSA-N 0 0 236.311 3.714 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)c2occc2C)C1 ZINC000734728212 584966790 /nfs/dbraw/zinc/96/67/90/584966790.db2.gz ZCDQFZQKBFAHNK-VXGBXAGGSA-N 0 0 236.311 3.714 20 0 BHADRN Cc1ccccc1[C@H](C)CC(=O)OC1CCCC1 ZINC000734768315 584967280 /nfs/dbraw/zinc/96/72/80/584967280.db2.gz OMTCRMKXKIBWKF-CYBMUJFWSA-N 0 0 246.350 3.974 20 0 BHADRN Cc1ccccc1[C@@H](C)CC(=O)OC1CCCC1 ZINC000734768349 584967394 /nfs/dbraw/zinc/96/73/94/584967394.db2.gz OMTCRMKXKIBWKF-ZDUSSCGKSA-N 0 0 246.350 3.974 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000734788249 584968385 /nfs/dbraw/zinc/96/83/85/584968385.db2.gz LNONXBUHYYWGHV-MLGVIJHGSA-N 0 0 249.398 3.794 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000734788251 584968200 /nfs/dbraw/zinc/96/82/00/584968200.db2.gz LNONXBUHYYWGHV-RHSBVERBSA-N 0 0 249.398 3.794 20 0 BHADRN CCSc1ccccc1OC(=O)[C@@H](C)CC ZINC000734790489 584968270 /nfs/dbraw/zinc/96/82/70/584968270.db2.gz COYLELDCQMPCEL-JTQLQIEISA-N 0 0 238.352 3.750 20 0 BHADRN CCSc1ccccc1OC(=O)[C@H](C)CC ZINC000734790490 584968304 /nfs/dbraw/zinc/96/83/04/584968304.db2.gz COYLELDCQMPCEL-SNVBAGLBSA-N 0 0 238.352 3.750 20 0 BHADRN CCCCCCC(=O)NCCc1ccc(C)cc1 ZINC000734817289 584968447 /nfs/dbraw/zinc/96/84/47/584968447.db2.gz XXWUQDUSJMVHGM-UHFFFAOYSA-N 0 0 247.382 3.624 20 0 BHADRN CC(C)(C)C1CCN(C(=O)C=C2CCCC2)CC1 ZINC000734817652 584968698 /nfs/dbraw/zinc/96/86/98/584968698.db2.gz IGPUCLSCFICHEA-UHFFFAOYSA-N 0 0 249.398 3.772 20 0 BHADRN C/C(=C/C(=O)N1CCC(C(C)(C)C)CC1)C1CC1 ZINC000734817663 584968699 /nfs/dbraw/zinc/96/86/99/584968699.db2.gz IUOGERLOTYDIBN-QXMHVHEDSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C\C(=O)N1CCC(C(C)(C)C)CC1)C1CC1 ZINC000734817664 584968629 /nfs/dbraw/zinc/96/86/29/584968629.db2.gz IUOGERLOTYDIBN-VAWYXSNFSA-N 0 0 249.398 3.627 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000734817921 584968446 /nfs/dbraw/zinc/96/84/46/584968446.db2.gz ANOCQYMOTJVEBZ-GHXNOFRVSA-N 0 0 237.387 3.627 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000734817922 584968497 /nfs/dbraw/zinc/96/84/97/584968497.db2.gz ANOCQYMOTJVEBZ-KPKJPENVSA-N 0 0 237.387 3.627 20 0 BHADRN CCC/C=C/C(=O)N1CCC(C(C)(C)C)CC1 ZINC000734818229 584968513 /nfs/dbraw/zinc/96/85/13/584968513.db2.gz HDBNEDPDFIUVAR-BQYQJAHWSA-N 0 0 237.387 3.627 20 0 BHADRN CCC/C=C\C(=O)N1CCC(C(C)(C)C)CC1 ZINC000734818230 584968688 /nfs/dbraw/zinc/96/86/88/584968688.db2.gz HDBNEDPDFIUVAR-FPLPWBNLSA-N 0 0 237.387 3.627 20 0 BHADRN Cc1cc(NC[C@H](C)C(C)(C)C)nc(C2CC2)n1 ZINC000734833816 584968987 /nfs/dbraw/zinc/96/89/87/584968987.db2.gz QCRAKILOUPZWFF-JTQLQIEISA-N 0 0 247.386 3.757 20 0 BHADRN Cc1cc(NC[C@@H](C)C(C)(C)C)nc(C2CC2)n1 ZINC000734833817 584969049 /nfs/dbraw/zinc/96/90/49/584969049.db2.gz QCRAKILOUPZWFF-SNVBAGLBSA-N 0 0 247.386 3.757 20 0 BHADRN Cc1cc(SCc2ccco2)nc(C2CC2)n1 ZINC000734834653 584969118 /nfs/dbraw/zinc/96/91/18/584969118.db2.gz BOUGQTFGAORFJF-UHFFFAOYSA-N 0 0 246.335 3.548 20 0 BHADRN CC(C)COC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000734901819 584969914 /nfs/dbraw/zinc/96/99/14/584969914.db2.gz CWBVTISNEAYCMM-LLVKDONJSA-N 0 0 238.302 3.519 20 0 BHADRN CC(C)COC(=O)C[C@H](C)c1cccc(F)c1 ZINC000734901820 584970019 /nfs/dbraw/zinc/97/00/19/584970019.db2.gz CWBVTISNEAYCMM-NSHDSACASA-N 0 0 238.302 3.519 20 0 BHADRN CCCCOC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000734903858 584969980 /nfs/dbraw/zinc/96/99/80/584969980.db2.gz KBPRHQLWSFSXBA-LLVKDONJSA-N 0 0 238.302 3.663 20 0 BHADRN CCCCOC(=O)C[C@H](C)c1cccc(F)c1 ZINC000734903860 584969953 /nfs/dbraw/zinc/96/99/53/584969953.db2.gz KBPRHQLWSFSXBA-NSHDSACASA-N 0 0 238.302 3.663 20 0 BHADRN Cc1ccccc1[C@H](C)CC(=O)OCC(C)C ZINC000734907077 584969474 /nfs/dbraw/zinc/96/94/74/584969474.db2.gz QOKIQHLVJNUDSL-CYBMUJFWSA-N 0 0 234.339 3.688 20 0 BHADRN Cc1ccccc1[C@@H](C)CC(=O)OCC(C)C ZINC000734907078 584969536 /nfs/dbraw/zinc/96/95/36/584969536.db2.gz QOKIQHLVJNUDSL-ZDUSSCGKSA-N 0 0 234.339 3.688 20 0 BHADRN CCCCOC(=O)C[C@@H](C)c1ccccc1C ZINC000734907342 584969449 /nfs/dbraw/zinc/96/94/49/584969449.db2.gz MKHKDAQVWVFSIC-CYBMUJFWSA-N 0 0 234.339 3.832 20 0 BHADRN CCCCOC(=O)C[C@H](C)c1ccccc1C ZINC000734907344 584969442 /nfs/dbraw/zinc/96/94/42/584969442.db2.gz MKHKDAQVWVFSIC-ZDUSSCGKSA-N 0 0 234.339 3.832 20 0 BHADRN C/C=C\COC(=O)C[C@@H](C)c1ccccc1C ZINC000734910044 584969511 /nfs/dbraw/zinc/96/95/11/584969511.db2.gz WVXLMNCTJZXBGL-DSYXLKISSA-N 0 0 232.323 3.608 20 0 BHADRN C/C=C\COC(=O)C[C@H](C)c1ccccc1C ZINC000734910045 584969360 /nfs/dbraw/zinc/96/93/60/584969360.db2.gz WVXLMNCTJZXBGL-ZFDPJTLLSA-N 0 0 232.323 3.608 20 0 BHADRN CCCCC[C@@H](C)NC(=O)NC(C)(C)C(C)C ZINC000734935631 584970018 /nfs/dbraw/zinc/97/00/18/584970018.db2.gz NFIODROCHBRNRL-GFCCVEGCSA-N 0 0 242.407 3.689 20 0 BHADRN CCCCC[C@H](C)NC(=O)NC(C)(C)C(C)C ZINC000734935632 584969862 /nfs/dbraw/zinc/96/98/62/584969862.db2.gz NFIODROCHBRNRL-LBPRGKRZSA-N 0 0 242.407 3.689 20 0 BHADRN CCCCCCNC(=O)NC1(C)CCCCC1 ZINC000734936114 584969812 /nfs/dbraw/zinc/96/98/12/584969812.db2.gz WYMWQRIDFQQQQQ-UHFFFAOYSA-N 0 0 240.391 3.589 20 0 BHADRN CCCCC[C@@H](C)NC(=O)NC(C)(C)CCC ZINC000734937424 584970135 /nfs/dbraw/zinc/97/01/35/584970135.db2.gz DQHINTKWMPMSHS-GFCCVEGCSA-N 0 0 242.407 3.833 20 0 BHADRN CCCCC[C@H](C)NC(=O)NC(C)(C)CCC ZINC000734937426 584970224 /nfs/dbraw/zinc/97/02/24/584970224.db2.gz DQHINTKWMPMSHS-LBPRGKRZSA-N 0 0 242.407 3.833 20 0 BHADRN CCCC(C)(C)NC(=O)NC[C@@H](C)C(C)(C)C ZINC000734945809 584970161 /nfs/dbraw/zinc/97/01/61/584970161.db2.gz BPCRUPGTVVPWAV-LLVKDONJSA-N 0 0 242.407 3.547 20 0 BHADRN CCCC(C)(C)NC(=O)NC[C@H](C)C(C)(C)C ZINC000734945810 584970107 /nfs/dbraw/zinc/97/01/07/584970107.db2.gz BPCRUPGTVVPWAV-NSHDSACASA-N 0 0 242.407 3.547 20 0 BHADRN Cc1ccccc1[C@H](C)CC(=O)O[C@H](C)C1CC1 ZINC000734965151 584970504 /nfs/dbraw/zinc/97/05/04/584970504.db2.gz IANZMQSJZVEVKQ-CHWSQXEVSA-N 0 0 246.350 3.830 20 0 BHADRN Cc1ccccc1[C@H](C)CC(=O)O[C@@H](C)C1CC1 ZINC000734965152 584970348 /nfs/dbraw/zinc/97/03/48/584970348.db2.gz IANZMQSJZVEVKQ-OLZOCXBDSA-N 0 0 246.350 3.830 20 0 BHADRN Cc1ccccc1[C@@H](C)CC(=O)O[C@H](C)C1CC1 ZINC000734965153 584970541 /nfs/dbraw/zinc/97/05/41/584970541.db2.gz IANZMQSJZVEVKQ-QWHCGFSZSA-N 0 0 246.350 3.830 20 0 BHADRN Cc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)C1CC1 ZINC000734965154 584970492 /nfs/dbraw/zinc/97/04/92/584970492.db2.gz IANZMQSJZVEVKQ-STQMWFEESA-N 0 0 246.350 3.830 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000734965503 584970556 /nfs/dbraw/zinc/97/05/56/584970556.db2.gz LXRMMPKDYIEYDP-GHMZBOCLSA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@H](C)OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000734965504 584970448 /nfs/dbraw/zinc/97/04/48/584970448.db2.gz LXRMMPKDYIEYDP-MNOVXSKESA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000734965505 584970569 /nfs/dbraw/zinc/97/05/69/584970569.db2.gz LXRMMPKDYIEYDP-QWRGUYRKSA-N 0 0 238.302 3.661 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000734965506 584970540 /nfs/dbraw/zinc/97/05/40/584970540.db2.gz LXRMMPKDYIEYDP-WDEREUQCSA-N 0 0 238.302 3.661 20 0 BHADRN Cc1ccccc1[C@H](C)CC(=O)OC[C@H]1C[C@@H]1C ZINC000734965988 584970333 /nfs/dbraw/zinc/97/03/33/584970333.db2.gz SATBNBIQNVWHMU-BFHYXJOUSA-N 0 0 246.350 3.688 20 0 BHADRN Cc1ccccc1[C@H](C)CC(=O)OC[C@@H]1C[C@H]1C ZINC000734965989 584970536 /nfs/dbraw/zinc/97/05/36/584970536.db2.gz SATBNBIQNVWHMU-MCIONIFRSA-N 0 0 246.350 3.688 20 0 BHADRN Cc1ccccc1[C@H](C)CC(=O)OC[C@H]1C[C@H]1C ZINC000734965990 584970473 /nfs/dbraw/zinc/97/04/73/584970473.db2.gz SATBNBIQNVWHMU-MGPQQGTHSA-N 0 0 246.350 3.688 20 0 BHADRN Cc1ccccc1[C@H](C)CC(=O)OC[C@@H]1C[C@@H]1C ZINC000734965991 584970351 /nfs/dbraw/zinc/97/03/51/584970351.db2.gz SATBNBIQNVWHMU-MJBXVCDLSA-N 0 0 246.350 3.688 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@@H](C)c1ccccc1C ZINC000734966311 584970442 /nfs/dbraw/zinc/97/04/42/584970442.db2.gz YJLWYRCCJNJCNE-CHWSQXEVSA-N 0 0 234.339 3.830 20 0 BHADRN CC[C@H](C)OC(=O)C[C@@H](C)c1ccccc1C ZINC000734966312 584970389 /nfs/dbraw/zinc/97/03/89/584970389.db2.gz YJLWYRCCJNJCNE-OLZOCXBDSA-N 0 0 234.339 3.830 20 0 BHADRN CC[C@@H](C)OC(=O)C[C@H](C)c1ccccc1C ZINC000734966314 584970555 /nfs/dbraw/zinc/97/05/55/584970555.db2.gz YJLWYRCCJNJCNE-QWHCGFSZSA-N 0 0 234.339 3.830 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H](C)c1ccccc1C ZINC000734966315 584970437 /nfs/dbraw/zinc/97/04/37/584970437.db2.gz YJLWYRCCJNJCNE-STQMWFEESA-N 0 0 234.339 3.830 20 0 BHADRN CC/C=C\COC(=O)C[C@@H](C)c1ccccc1C ZINC000734966417 584970542 /nfs/dbraw/zinc/97/05/42/584970542.db2.gz ZYTNIQRNYCMYIM-BMWLXYDHSA-N 0 0 246.350 3.998 20 0 BHADRN CC/C=C/COC(=O)C[C@H](C)c1ccccc1C ZINC000734966436 584970369 /nfs/dbraw/zinc/97/03/69/584970369.db2.gz ZYTNIQRNYCMYIM-GPAKFWEMSA-N 0 0 246.350 3.998 20 0 BHADRN CC/C=C/COC(=O)C[C@@H](C)c1ccccc1C ZINC000734966437 584970548 /nfs/dbraw/zinc/97/05/48/584970548.db2.gz ZYTNIQRNYCMYIM-LHRNQBEKSA-N 0 0 246.350 3.998 20 0 BHADRN CC/C=C\COC(=O)C[C@H](C)c1ccccc1C ZINC000734966439 584970324 /nfs/dbraw/zinc/97/03/24/584970324.db2.gz ZYTNIQRNYCMYIM-PODYEWJSSA-N 0 0 246.350 3.998 20 0 BHADRN CCn1ccnc1SC[C@@H](C)c1ccccc1 ZINC000734982194 584970687 /nfs/dbraw/zinc/97/06/87/584970687.db2.gz KMZQBASTXJXYJR-GFCCVEGCSA-N 0 0 246.379 3.799 20 0 BHADRN CCn1ccnc1SC[C@H](C)c1ccccc1 ZINC000734982202 584970701 /nfs/dbraw/zinc/97/07/01/584970701.db2.gz KMZQBASTXJXYJR-LBPRGKRZSA-N 0 0 246.379 3.799 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NCCC ZINC000734990580 643514594 /nfs/dbraw/zinc/51/45/94/643514594.db2.gz MLHDBNVWLMILIZ-GFCCVEGCSA-N 0 0 213.365 3.509 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NCCC ZINC000734990583 643513927 /nfs/dbraw/zinc/51/39/27/643513927.db2.gz MLHDBNVWLMILIZ-LBPRGKRZSA-N 0 0 213.365 3.509 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N[C@@H](C)C1CC1 ZINC000734994522 643514181 /nfs/dbraw/zinc/51/41/81/643514181.db2.gz PONCPCMODILUPB-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N[C@@H](C)C1CC1 ZINC000734994524 643515238 /nfs/dbraw/zinc/51/52/38/643515238.db2.gz PONCPCMODILUPB-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NCC1CCC1 ZINC000734998942 643517782 /nfs/dbraw/zinc/51/77/82/643517782.db2.gz LIVVYTYBCYJNSY-AWEZNQCLSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NCC1CCC1 ZINC000734998943 643518654 /nfs/dbraw/zinc/51/86/54/643518654.db2.gz LIVVYTYBCYJNSY-CQSZACIVSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N(C)CC1CC1 ZINC000735001213 643519066 /nfs/dbraw/zinc/51/90/66/643519066.db2.gz VGIWUSYRBMUGQA-AWEZNQCLSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N(C)CC1CC1 ZINC000735001214 643518848 /nfs/dbraw/zinc/51/88/48/643518848.db2.gz VGIWUSYRBMUGQA-CQSZACIVSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N(C)CCC ZINC000735007081 643517635 /nfs/dbraw/zinc/51/76/35/643517635.db2.gz CJZUZQKTEQZAIN-CYBMUJFWSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N(C)CCC ZINC000735007082 643517112 /nfs/dbraw/zinc/51/71/12/643517112.db2.gz CJZUZQKTEQZAIN-ZDUSSCGKSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)Nc1cnoc1 ZINC000735008050 643518990 /nfs/dbraw/zinc/51/89/90/643518990.db2.gz VKCGGEJQCLBYAC-LLVKDONJSA-N 0 0 238.331 3.610 20 0 BHADRN CCCCCC[C@H](CC)C(=O)Nc1cnoc1 ZINC000735008052 643516758 /nfs/dbraw/zinc/51/67/58/643516758.db2.gz VKCGGEJQCLBYAC-NSHDSACASA-N 0 0 238.331 3.610 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N(C)CC(F)F ZINC000735010536 584971233 /nfs/dbraw/zinc/97/12/33/584971233.db2.gz TYMYMDXGINUCTE-LLVKDONJSA-N 0 0 249.345 3.707 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N(C)CC(F)F ZINC000735010537 584971108 /nfs/dbraw/zinc/97/11/08/584971108.db2.gz TYMYMDXGINUCTE-NSHDSACASA-N 0 0 249.345 3.707 20 0 BHADRN CC(C)(NC(=O)C=C1CCCC1)c1cccs1 ZINC000735018146 584971359 /nfs/dbraw/zinc/97/13/59/584971359.db2.gz QIKNHOIXXIGADH-UHFFFAOYSA-N 0 0 249.379 3.600 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NC(C)C ZINC000735027824 584971564 /nfs/dbraw/zinc/97/15/64/584971564.db2.gz CABMTDJVHBTSRB-GFCCVEGCSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NC(C)C ZINC000735027825 584971807 /nfs/dbraw/zinc/97/18/07/584971807.db2.gz CABMTDJVHBTSRB-LBPRGKRZSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NCC1CC1 ZINC000735032218 584971647 /nfs/dbraw/zinc/97/16/47/584971647.db2.gz PCUHKHMDMXXDNZ-CYBMUJFWSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NCC1CC1 ZINC000735032219 584971768 /nfs/dbraw/zinc/97/17/68/584971768.db2.gz PCUHKHMDMXXDNZ-ZDUSSCGKSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NC[C@H]1C[C@H]1C ZINC000735035314 584971741 /nfs/dbraw/zinc/97/17/41/584971741.db2.gz PIBZISYVBAEHQQ-HZSPNIEDSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NC[C@@H]1C[C@@H]1C ZINC000735035315 584971752 /nfs/dbraw/zinc/97/17/52/584971752.db2.gz PIBZISYVBAEHQQ-IHRRRGAJSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NC[C@H]1C[C@@H]1C ZINC000735035316 584971593 /nfs/dbraw/zinc/97/15/93/584971593.db2.gz PIBZISYVBAEHQQ-MELADBBJSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NC[C@@H]1C[C@H]1C ZINC000735035317 584971744 /nfs/dbraw/zinc/97/17/44/584971744.db2.gz PIBZISYVBAEHQQ-RDBSUJKOSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)C[C@H]1CCCN1C(=O)/C=C\C(C)(C)C ZINC000735039059 584971229 /nfs/dbraw/zinc/97/12/29/584971229.db2.gz ADJUMUXRCNYAKQ-LJTDUEICSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)C[C@H]1CCCN1C(=O)/C=C/C(C)(C)C ZINC000735039060 584971196 /nfs/dbraw/zinc/97/11/96/584971196.db2.gz ADJUMUXRCNYAKQ-MMQHEFTJSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)C[C@@H]1CCCN1C(=O)/C=C/C(C)(C)C ZINC000735039061 584971080 /nfs/dbraw/zinc/97/10/80/584971080.db2.gz ADJUMUXRCNYAKQ-XEHSLEBBSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)C[C@@H]1CCCN1C(=O)/C=C\C(C)(C)C ZINC000735039062 584971128 /nfs/dbraw/zinc/97/11/28/584971128.db2.gz ADJUMUXRCNYAKQ-YXVBKTCISA-N 0 0 237.387 3.626 20 0 BHADRN CCC1(C)CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC000735040998 584971195 /nfs/dbraw/zinc/97/11/95/584971195.db2.gz CJJOHERESZENDQ-BQYQJAHWSA-N 0 0 237.387 3.627 20 0 BHADRN CCC1(C)CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC000735040999 584971081 /nfs/dbraw/zinc/97/10/81/584971081.db2.gz CJJOHERESZENDQ-FPLPWBNLSA-N 0 0 237.387 3.627 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NC1CCC1 ZINC000735048027 584971690 /nfs/dbraw/zinc/97/16/90/584971690.db2.gz FXESWPYJSOVZIW-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NC1CCC1 ZINC000735048028 584971688 /nfs/dbraw/zinc/97/16/88/584971688.db2.gz FXESWPYJSOVZIW-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN COCCCCCN1CCCc2cc(C)ccc21 ZINC000735077322 643522033 /nfs/dbraw/zinc/52/20/33/643522033.db2.gz KLBLOSVEGYJCKP-UHFFFAOYSA-N 0 0 247.382 3.564 20 0 BHADRN Cc1ccc(C(=O)OC[C@@H](C)c2ccccc2)o1 ZINC000735123320 643524652 /nfs/dbraw/zinc/52/46/52/643524652.db2.gz FYADFTIDUNABMH-LLVKDONJSA-N 0 0 244.290 3.549 20 0 BHADRN Cc1ccc(C(=O)OC[C@H](C)c2ccccc2)o1 ZINC000735123321 643523982 /nfs/dbraw/zinc/52/39/82/643523982.db2.gz FYADFTIDUNABMH-NSHDSACASA-N 0 0 244.290 3.549 20 0 BHADRN C[C@H](COC(=O)CC1CCCC1)c1ccccc1 ZINC000735123615 643523239 /nfs/dbraw/zinc/52/32/39/643523239.db2.gz FZGMQLWAXVQRNJ-CYBMUJFWSA-N 0 0 246.350 3.914 20 0 BHADRN C[C@@H](COC(=O)CC1CCCC1)c1ccccc1 ZINC000735123617 643526814 /nfs/dbraw/zinc/52/68/14/643526814.db2.gz FZGMQLWAXVQRNJ-ZDUSSCGKSA-N 0 0 246.350 3.914 20 0 BHADRN C[C@H](COC(=O)C1CCCCC1)c1ccccc1 ZINC000735123717 643526982 /nfs/dbraw/zinc/52/69/82/643526982.db2.gz HZNUPAQLNXMNDG-CYBMUJFWSA-N 0 0 246.350 3.914 20 0 BHADRN C[C@@H](COC(=O)C1CCCCC1)c1ccccc1 ZINC000735123719 643527220 /nfs/dbraw/zinc/52/72/20/643527220.db2.gz HZNUPAQLNXMNDG-ZDUSSCGKSA-N 0 0 246.350 3.914 20 0 BHADRN CCCCC(=O)OC[C@@H](C)c1ccccc1 ZINC000735124529 643525639 /nfs/dbraw/zinc/52/56/39/643525639.db2.gz OHYLWXLGTQOHJQ-GFCCVEGCSA-N 0 0 220.312 3.524 20 0 BHADRN CCCCC(=O)OC[C@H](C)c1ccccc1 ZINC000735124531 584973469 /nfs/dbraw/zinc/97/34/69/584973469.db2.gz OHYLWXLGTQOHJQ-LBPRGKRZSA-N 0 0 220.312 3.524 20 0 BHADRN C[C@H](COC(=O)C1CCCC1)c1ccccc1 ZINC000735124537 584973532 /nfs/dbraw/zinc/97/35/32/584973532.db2.gz OKSDKPGDTRRYOS-GFCCVEGCSA-N 0 0 232.323 3.524 20 0 BHADRN C[C@@H](COC(=O)C1CCCC1)c1ccccc1 ZINC000735124538 584973539 /nfs/dbraw/zinc/97/35/39/584973539.db2.gz OKSDKPGDTRRYOS-LBPRGKRZSA-N 0 0 232.323 3.524 20 0 BHADRN CCCCCC(=O)OC[C@@H](C)c1ccccc1 ZINC000735125120 584973410 /nfs/dbraw/zinc/97/34/10/584973410.db2.gz TWZDEQHJSYDWGL-CYBMUJFWSA-N 0 0 234.339 3.914 20 0 BHADRN CCCCCC(=O)OC[C@H](C)c1ccccc1 ZINC000735125121 584973317 /nfs/dbraw/zinc/97/33/17/584973317.db2.gz TWZDEQHJSYDWGL-ZDUSSCGKSA-N 0 0 234.339 3.914 20 0 BHADRN C[C@H](COC(=O)c1ccsc1)c1ccccc1 ZINC000735126442 584973524 /nfs/dbraw/zinc/97/35/24/584973524.db2.gz LVJOBHNDFIIZHZ-LLVKDONJSA-N 0 0 246.331 3.709 20 0 BHADRN C[C@@H](COC(=O)c1ccsc1)c1ccccc1 ZINC000735126443 584973481 /nfs/dbraw/zinc/97/34/81/584973481.db2.gz LVJOBHNDFIIZHZ-NSHDSACASA-N 0 0 246.331 3.709 20 0 BHADRN C[C@H](COC(=O)c1cccs1)c1ccccc1 ZINC000735126714 584973414 /nfs/dbraw/zinc/97/34/14/584973414.db2.gz BKOVENABLZCNRA-LLVKDONJSA-N 0 0 246.331 3.709 20 0 BHADRN C[C@@H](COC(=O)c1cccs1)c1ccccc1 ZINC000735126715 584973324 /nfs/dbraw/zinc/97/33/24/584973324.db2.gz BKOVENABLZCNRA-NSHDSACASA-N 0 0 246.331 3.709 20 0 BHADRN C[C@H](COC(=O)CC(C)(C)C)c1ccccc1 ZINC000735126723 584973343 /nfs/dbraw/zinc/97/33/43/584973343.db2.gz BMORKQIGLDCHQO-GFCCVEGCSA-N 0 0 234.339 3.770 20 0 BHADRN C[C@@H](COC(=O)CC(C)(C)C)c1ccccc1 ZINC000735126724 584973438 /nfs/dbraw/zinc/97/34/38/584973438.db2.gz BMORKQIGLDCHQO-LBPRGKRZSA-N 0 0 234.339 3.770 20 0 BHADRN Cc1ccoc1C(=O)OC[C@@H](C)c1ccccc1 ZINC000735126977 584973538 /nfs/dbraw/zinc/97/35/38/584973538.db2.gz VYPCLYYRELZKCB-GFCCVEGCSA-N 0 0 244.290 3.549 20 0 BHADRN Cc1ccoc1C(=O)OC[C@H](C)c1ccccc1 ZINC000735126979 584973547 /nfs/dbraw/zinc/97/35/47/584973547.db2.gz VYPCLYYRELZKCB-LBPRGKRZSA-N 0 0 244.290 3.549 20 0 BHADRN C[C@@H](COC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000735127188 584973518 /nfs/dbraw/zinc/97/35/18/584973518.db2.gz GMZBXRCJNDGFPR-DZGCQCFKSA-N 0 0 244.334 3.690 20 0 BHADRN C[C@H](COC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000735127189 584973339 /nfs/dbraw/zinc/97/33/39/584973339.db2.gz GMZBXRCJNDGFPR-HIFRSBDPSA-N 0 0 244.334 3.690 20 0 BHADRN C[C@H](COC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000735127190 584973308 /nfs/dbraw/zinc/97/33/08/584973308.db2.gz GMZBXRCJNDGFPR-UKRRQHHQSA-N 0 0 244.334 3.690 20 0 BHADRN C[C@@H](COC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000735127191 584973543 /nfs/dbraw/zinc/97/35/43/584973543.db2.gz GMZBXRCJNDGFPR-ZFWWWQNUSA-N 0 0 244.334 3.690 20 0 BHADRN CC/C=C(/C)C(=O)OC[C@H](C)c1ccccc1 ZINC000735127446 584973392 /nfs/dbraw/zinc/97/33/92/584973392.db2.gz IHTNPDGFTVZPBV-FSBNRTBOSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C(/C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000735127447 584973457 /nfs/dbraw/zinc/97/34/57/584973457.db2.gz IHTNPDGFTVZPBV-LLBKUYECSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C(\C)C(=O)OC[C@H](C)c1ccccc1 ZINC000735127448 584973456 /nfs/dbraw/zinc/97/34/56/584973456.db2.gz IHTNPDGFTVZPBV-RPHSKFLZSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C(\C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000735127449 584973432 /nfs/dbraw/zinc/97/34/32/584973432.db2.gz IHTNPDGFTVZPBV-YQCJOKCJSA-N 0 0 232.323 3.690 20 0 BHADRN C[C@H](COC(=O)c1ccccc1)c1ccccc1 ZINC000735127624 584973519 /nfs/dbraw/zinc/97/35/19/584973519.db2.gz QAJKXZBSXLINCU-CYBMUJFWSA-N 0 0 240.302 3.647 20 0 BHADRN C[C@@H](COC(=O)c1ccccc1)c1ccccc1 ZINC000735127626 584973384 /nfs/dbraw/zinc/97/33/84/584973384.db2.gz QAJKXZBSXLINCU-ZDUSSCGKSA-N 0 0 240.302 3.647 20 0 BHADRN CC(C)CCC(=O)OC[C@@H](C)c1ccccc1 ZINC000735128738 584973530 /nfs/dbraw/zinc/97/35/30/584973530.db2.gz WMILAENTFQQSMF-CYBMUJFWSA-N 0 0 234.339 3.770 20 0 BHADRN CC(C)CCC(=O)OC[C@H](C)c1ccccc1 ZINC000735128740 584973309 /nfs/dbraw/zinc/97/33/09/584973309.db2.gz WMILAENTFQQSMF-ZDUSSCGKSA-N 0 0 234.339 3.770 20 0 BHADRN C[C@H](COC(=O)C1(C)CCCC1)c1ccccc1 ZINC000735129061 584973460 /nfs/dbraw/zinc/97/34/60/584973460.db2.gz ZQQHRLMNRNZXRM-CYBMUJFWSA-N 0 0 246.350 3.914 20 0 BHADRN C[C@@H](COC(=O)C1(C)CCCC1)c1ccccc1 ZINC000735129062 584973436 /nfs/dbraw/zinc/97/34/36/584973436.db2.gz ZQQHRLMNRNZXRM-ZDUSSCGKSA-N 0 0 246.350 3.914 20 0 BHADRN Cc1occc1C(=O)OC[C@@H](C)c1ccccc1 ZINC000735129097 584973405 /nfs/dbraw/zinc/97/34/05/584973405.db2.gz GFBZFIVBXPNLCU-LLVKDONJSA-N 0 0 244.290 3.549 20 0 BHADRN Cc1occc1C(=O)OC[C@H](C)c1ccccc1 ZINC000735129099 584973491 /nfs/dbraw/zinc/97/34/91/584973491.db2.gz GFBZFIVBXPNLCU-NSHDSACASA-N 0 0 244.290 3.549 20 0 BHADRN CCC[C@@H](C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000735134158 584973578 /nfs/dbraw/zinc/97/35/78/584973578.db2.gz LXLLENHCBNUPIO-CHWSQXEVSA-N 0 0 234.339 3.770 20 0 BHADRN CCC[C@@H](C)C(=O)OC[C@H](C)c1ccccc1 ZINC000735134159 584973615 /nfs/dbraw/zinc/97/36/15/584973615.db2.gz LXLLENHCBNUPIO-OLZOCXBDSA-N 0 0 234.339 3.770 20 0 BHADRN CCC[C@H](C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000735134160 584973671 /nfs/dbraw/zinc/97/36/71/584973671.db2.gz LXLLENHCBNUPIO-QWHCGFSZSA-N 0 0 234.339 3.770 20 0 BHADRN CCC[C@H](C)C(=O)OC[C@H](C)c1ccccc1 ZINC000735134161 584973678 /nfs/dbraw/zinc/97/36/78/584973678.db2.gz LXLLENHCBNUPIO-STQMWFEESA-N 0 0 234.339 3.770 20 0 BHADRN C[C@H](COC(=O)C=C1CCCC1)c1ccccc1 ZINC000735134221 584973751 /nfs/dbraw/zinc/97/37/51/584973751.db2.gz FHLRSXSQLFVHPQ-CYBMUJFWSA-N 0 0 244.334 3.834 20 0 BHADRN C[C@@H](COC(=O)C=C1CCCC1)c1ccccc1 ZINC000735134222 584973628 /nfs/dbraw/zinc/97/36/28/584973628.db2.gz FHLRSXSQLFVHPQ-ZDUSSCGKSA-N 0 0 244.334 3.834 20 0 BHADRN C/C(=C/C(=O)OC[C@@H](C)c1ccccc1)C1CC1 ZINC000735134231 584973115 /nfs/dbraw/zinc/97/31/15/584973115.db2.gz FMSOGNAOUVLHFV-KXXVWKPMSA-N 0 0 244.334 3.690 20 0 BHADRN C/C(=C\C(=O)OC[C@@H](C)c1ccccc1)C1CC1 ZINC000735134233 584973250 /nfs/dbraw/zinc/97/32/50/584973250.db2.gz FMSOGNAOUVLHFV-RSKUSDAESA-N 0 0 244.334 3.690 20 0 BHADRN C/C(=C/C(=O)OC[C@H](C)c1ccccc1)C1CC1 ZINC000735134234 584973078 /nfs/dbraw/zinc/97/30/78/584973078.db2.gz FMSOGNAOUVLHFV-UKVQZPPCSA-N 0 0 244.334 3.690 20 0 BHADRN C/C(=C\C(=O)OC[C@H](C)c1ccccc1)C1CC1 ZINC000735134235 584973246 /nfs/dbraw/zinc/97/32/46/584973246.db2.gz FMSOGNAOUVLHFV-XSNHNAGMSA-N 0 0 244.334 3.690 20 0 BHADRN CCC/C=C/C(=O)OC[C@@H](C)c1ccccc1 ZINC000735134837 584973158 /nfs/dbraw/zinc/97/31/58/584973158.db2.gz VOJBLJOPRXNPCV-ASJRZHAZSA-N 0 0 232.323 3.690 20 0 BHADRN CCC/C=C\C(=O)OC[C@H](C)c1ccccc1 ZINC000735134838 584973231 /nfs/dbraw/zinc/97/32/31/584973231.db2.gz VOJBLJOPRXNPCV-GXJZLWQJSA-N 0 0 232.323 3.690 20 0 BHADRN CCC/C=C\C(=O)OC[C@@H](C)c1ccccc1 ZINC000735134839 584973130 /nfs/dbraw/zinc/97/31/30/584973130.db2.gz VOJBLJOPRXNPCV-TUOYRWMMSA-N 0 0 232.323 3.690 20 0 BHADRN CCC/C=C/C(=O)OC[C@H](C)c1ccccc1 ZINC000735134840 584973162 /nfs/dbraw/zinc/97/31/62/584973162.db2.gz VOJBLJOPRXNPCV-VKUYVZBCSA-N 0 0 232.323 3.690 20 0 BHADRN CCC(CC)C(=O)OC[C@@H](C)c1ccccc1 ZINC000735135148 584973101 /nfs/dbraw/zinc/97/31/01/584973101.db2.gz ZKBRLBNNJJVVNQ-GFCCVEGCSA-N 0 0 234.339 3.770 20 0 BHADRN CCC(CC)C(=O)OC[C@H](C)c1ccccc1 ZINC000735135149 584973088 /nfs/dbraw/zinc/97/30/88/584973088.db2.gz ZKBRLBNNJJVVNQ-LBPRGKRZSA-N 0 0 234.339 3.770 20 0 BHADRN C[C@H](CC(=O)OC[C@@H](C)c1ccccc1)C1CC1 ZINC000735135432 584973239 /nfs/dbraw/zinc/97/32/39/584973239.db2.gz NSACTAXYSJTLGL-CHWSQXEVSA-N 0 0 246.350 3.770 20 0 BHADRN C[C@@H](COC(=O)C[C@@H](C)C1CC1)c1ccccc1 ZINC000735135433 584973262 /nfs/dbraw/zinc/97/32/62/584973262.db2.gz NSACTAXYSJTLGL-OLZOCXBDSA-N 0 0 246.350 3.770 20 0 BHADRN C[C@H](COC(=O)C[C@H](C)C1CC1)c1ccccc1 ZINC000735135434 584973172 /nfs/dbraw/zinc/97/31/72/584973172.db2.gz NSACTAXYSJTLGL-QWHCGFSZSA-N 0 0 246.350 3.770 20 0 BHADRN C[C@@H](COC(=O)C[C@H](C)C1CC1)c1ccccc1 ZINC000735135435 584973113 /nfs/dbraw/zinc/97/31/13/584973113.db2.gz NSACTAXYSJTLGL-STQMWFEESA-N 0 0 246.350 3.770 20 0 BHADRN CCC(C)(C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000735138179 643525181 /nfs/dbraw/zinc/52/51/81/643525181.db2.gz VDSXOWNAPFTUFJ-GFCCVEGCSA-N 0 0 234.339 3.770 20 0 BHADRN CCC(C)(C)C(=O)OC[C@H](C)c1ccccc1 ZINC000735138180 643524365 /nfs/dbraw/zinc/52/43/65/643524365.db2.gz VDSXOWNAPFTUFJ-LBPRGKRZSA-N 0 0 234.339 3.770 20 0 BHADRN CCCCCCOC(=O)C[C@@H](C)n1cccc1 ZINC000735140326 584973581 /nfs/dbraw/zinc/97/35/81/584973581.db2.gz ZJNMVSNUVPTSQG-CYBMUJFWSA-N 0 0 237.343 3.563 20 0 BHADRN CCCCCCOC(=O)C[C@H](C)n1cccc1 ZINC000735140329 584973611 /nfs/dbraw/zinc/97/36/11/584973611.db2.gz ZJNMVSNUVPTSQG-ZDUSSCGKSA-N 0 0 237.343 3.563 20 0 BHADRN C[C@H](COC(=O)CCC1CC1)c1ccccc1 ZINC000735143913 584973925 /nfs/dbraw/zinc/97/39/25/584973925.db2.gz AVCUEAITSSUIMU-GFCCVEGCSA-N 0 0 232.323 3.524 20 0 BHADRN C[C@@H](COC(=O)CCC1CC1)c1ccccc1 ZINC000735143915 584973836 /nfs/dbraw/zinc/97/38/36/584973836.db2.gz AVCUEAITSSUIMU-LBPRGKRZSA-N 0 0 232.323 3.524 20 0 BHADRN CC(C)[C@@H](C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000735144518 584973841 /nfs/dbraw/zinc/97/38/41/584973841.db2.gz PZXPTQRUQFMSSB-CHWSQXEVSA-N 0 0 234.339 3.625 20 0 BHADRN CC(C)[C@H](C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000735144520 584973782 /nfs/dbraw/zinc/97/37/82/584973782.db2.gz PZXPTQRUQFMSSB-OLZOCXBDSA-N 0 0 234.339 3.625 20 0 BHADRN CC(C)[C@@H](C)C(=O)OC[C@H](C)c1ccccc1 ZINC000735144522 584973780 /nfs/dbraw/zinc/97/37/80/584973780.db2.gz PZXPTQRUQFMSSB-QWHCGFSZSA-N 0 0 234.339 3.625 20 0 BHADRN CC(C)[C@H](C)C(=O)OC[C@H](C)c1ccccc1 ZINC000735144524 584973929 /nfs/dbraw/zinc/97/39/29/584973929.db2.gz PZXPTQRUQFMSSB-STQMWFEESA-N 0 0 234.339 3.625 20 0 BHADRN C/C=C\COC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000735159182 584973848 /nfs/dbraw/zinc/97/38/48/584973848.db2.gz MAVYRVAFOYMCBP-PLNGDYQASA-N 0 0 243.306 3.518 20 0 BHADRN C/C=C/COC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000735159183 584973771 /nfs/dbraw/zinc/97/37/71/584973771.db2.gz MAVYRVAFOYMCBP-SNAWJCMRSA-N 0 0 243.306 3.518 20 0 BHADRN CCCCOC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000735159491 584973599 /nfs/dbraw/zinc/97/35/99/584973599.db2.gz AEAMJYFRMIBREX-UHFFFAOYSA-N 0 0 249.285 3.572 20 0 BHADRN Cc1ccc2[nH]c(C(=O)OCC(C)C)cc2c1C ZINC000735160412 584973681 /nfs/dbraw/zinc/97/36/81/584973681.db2.gz HRWAYTLVLNMTRA-UHFFFAOYSA-N 0 0 245.322 3.598 20 0 BHADRN CCCCCC[C@H](CC)C(=O)OCC(F)F ZINC000735161832 584973586 /nfs/dbraw/zinc/97/35/86/584973586.db2.gz UKTZCVIPNHUYCE-JTQLQIEISA-N 0 0 236.302 3.791 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)OCC(F)F ZINC000735161838 584973742 /nfs/dbraw/zinc/97/37/42/584973742.db2.gz UKTZCVIPNHUYCE-SNVBAGLBSA-N 0 0 236.302 3.791 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000735205716 584974067 /nfs/dbraw/zinc/97/40/67/584974067.db2.gz DLJPKKGSSGPGJY-SECBINFHSA-N 0 0 249.285 3.571 20 0 BHADRN CC[C@H](C)OC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000735205718 584974043 /nfs/dbraw/zinc/97/40/43/584974043.db2.gz DLJPKKGSSGPGJY-VIFPVBQESA-N 0 0 249.285 3.571 20 0 BHADRN CCC/C=C\C(=O)Oc1ccc(CC)cc1 ZINC000735206355 584974008 /nfs/dbraw/zinc/97/40/08/584974008.db2.gz CDCSZUNBLFOPET-SREVYHEPSA-N 0 0 218.296 3.511 20 0 BHADRN CCC/C=C/C(=O)Oc1ccc(CC)cc1 ZINC000735206358 584974022 /nfs/dbraw/zinc/97/40/22/584974022.db2.gz CDCSZUNBLFOPET-VOTSOKGWSA-N 0 0 218.296 3.511 20 0 BHADRN CCC/C=C/C(=O)OCc1cc2ccccc2o1 ZINC000735206686 584974392 /nfs/dbraw/zinc/97/43/92/584974392.db2.gz AZPPYDSMFKVBAC-RUDMXATFSA-N 0 0 244.290 3.832 20 0 BHADRN CCC/C=C\C(=O)OCc1cc2ccccc2o1 ZINC000735206687 584974362 /nfs/dbraw/zinc/97/43/62/584974362.db2.gz AZPPYDSMFKVBAC-WTKPLQERSA-N 0 0 244.290 3.832 20 0 BHADRN CC(C)C[C@H](C)OC(=O)/C=C/C(C)(C)C ZINC000735207084 584974402 /nfs/dbraw/zinc/97/44/02/584974402.db2.gz MABLHORBXLPBHE-AEZGRPFRSA-N 0 0 212.333 3.567 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)/C=C\C(C)(C)C ZINC000735207087 584974329 /nfs/dbraw/zinc/97/43/29/584974329.db2.gz MABLHORBXLPBHE-SKVAFPRGSA-N 0 0 212.333 3.567 20 0 BHADRN CC(C)C[C@H](C)OC(=O)/C=C\C(C)(C)C ZINC000735207091 584974338 /nfs/dbraw/zinc/97/43/38/584974338.db2.gz MABLHORBXLPBHE-TVRMLOFPSA-N 0 0 212.333 3.567 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)/C=C/C(C)(C)C ZINC000735207093 584974274 /nfs/dbraw/zinc/97/42/74/584974274.db2.gz MABLHORBXLPBHE-WSKFYRRCSA-N 0 0 212.333 3.567 20 0 BHADRN CCC/C=C\C(=O)Oc1cccc(C)c1C ZINC000735207217 584974436 /nfs/dbraw/zinc/97/44/36/584974436.db2.gz FUHOHKIYQHQDTD-POHAHGRESA-N 0 0 218.296 3.565 20 0 BHADRN CCC/C=C/C(=O)Oc1cccc(C)c1C ZINC000735207218 584974270 /nfs/dbraw/zinc/97/42/70/584974270.db2.gz FUHOHKIYQHQDTD-UXBLZVDNSA-N 0 0 218.296 3.565 20 0 BHADRN CCC/C=C\C(=O)Oc1cccc(CC)c1 ZINC000735207556 584974275 /nfs/dbraw/zinc/97/42/75/584974275.db2.gz GNVPXQAAWPISHX-POHAHGRESA-N 0 0 218.296 3.511 20 0 BHADRN CCC/C=C/C(=O)Oc1cccc(CC)c1 ZINC000735207557 584974368 /nfs/dbraw/zinc/97/43/68/584974368.db2.gz GNVPXQAAWPISHX-UXBLZVDNSA-N 0 0 218.296 3.511 20 0 BHADRN CC[C@H](C)OC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000735207670 584974278 /nfs/dbraw/zinc/97/42/78/584974278.db2.gz MZLWHWORVVLVHV-JTQLQIEISA-N 0 0 245.322 3.740 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000735207673 584974447 /nfs/dbraw/zinc/97/44/47/584974447.db2.gz MZLWHWORVVLVHV-SNVBAGLBSA-N 0 0 245.322 3.740 20 0 BHADRN CCC/C=C/C(=O)O[C@@H]1CCc2ccccc21 ZINC000735207677 584974316 /nfs/dbraw/zinc/97/43/16/584974316.db2.gz NBIUXXNNQWFMAI-CEOUIICOSA-N 0 0 230.307 3.573 20 0 BHADRN CCC/C=C\C(=O)O[C@H]1CCc2ccccc21 ZINC000735207678 584974306 /nfs/dbraw/zinc/97/43/06/584974306.db2.gz NBIUXXNNQWFMAI-DFGFTWQDSA-N 0 0 230.307 3.573 20 0 BHADRN CCC/C=C/C(=O)O[C@H]1CCc2ccccc21 ZINC000735207680 584974465 /nfs/dbraw/zinc/97/44/65/584974465.db2.gz NBIUXXNNQWFMAI-MDDUGHTDSA-N 0 0 230.307 3.573 20 0 BHADRN CCC/C=C\C(=O)O[C@@H]1CCc2ccccc21 ZINC000735207682 584974467 /nfs/dbraw/zinc/97/44/67/584974467.db2.gz NBIUXXNNQWFMAI-RXTQTKKPSA-N 0 0 230.307 3.573 20 0 BHADRN CCc1cccc(OC(=O)/C=C\C(C)(C)C)c1 ZINC000735208178 584974403 /nfs/dbraw/zinc/97/44/03/584974403.db2.gz KKPSVLDAFBJZJP-KTKRTIGZSA-N 0 0 232.323 3.757 20 0 BHADRN CCc1cccc(OC(=O)/C=C/C(C)(C)C)c1 ZINC000735208180 584974271 /nfs/dbraw/zinc/97/42/71/584974271.db2.gz KKPSVLDAFBJZJP-MDZDMXLPSA-N 0 0 232.323 3.757 20 0 BHADRN CCC/C=C/C(=O)Oc1cccc(Cl)c1 ZINC000735208243 584974443 /nfs/dbraw/zinc/97/44/43/584974443.db2.gz KYZCDUNFHWDUBI-XBXARRHUSA-N 0 0 224.687 3.602 20 0 BHADRN CCC/C=C\C(=O)Oc1cccc(Cl)c1 ZINC000735208252 584974437 /nfs/dbraw/zinc/97/44/37/584974437.db2.gz KYZCDUNFHWDUBI-YWEYNIOJSA-N 0 0 224.687 3.602 20 0 BHADRN CCC/C=C/C(=O)Oc1ccccc1CC ZINC000735208267 584974391 /nfs/dbraw/zinc/97/43/91/584974391.db2.gz LLHCCWYHPMHTED-IZZDOVSWSA-N 0 0 218.296 3.511 20 0 BHADRN CCC/C=C\C(=O)Oc1ccccc1CC ZINC000735208268 584974375 /nfs/dbraw/zinc/97/43/75/584974375.db2.gz LLHCCWYHPMHTED-WDZFZDKYSA-N 0 0 218.296 3.511 20 0 BHADRN C[C@H](CC(=O)OC1CCCCCC1)n1cccc1 ZINC000735208274 584974457 /nfs/dbraw/zinc/97/44/57/584974457.db2.gz OQHHARBUJFQPES-CYBMUJFWSA-N 0 0 249.354 3.705 20 0 BHADRN C[C@@H](CC(=O)OC1CCCCCC1)n1cccc1 ZINC000735208275 584974330 /nfs/dbraw/zinc/97/43/30/584974330.db2.gz OQHHARBUJFQPES-ZDUSSCGKSA-N 0 0 249.354 3.705 20 0 BHADRN CCC/C=C\C(=O)O[C@@H](C)c1ccccc1C ZINC000735208373 584974283 /nfs/dbraw/zinc/97/42/83/584974283.db2.gz QNBTYAUPVKDVRT-GXJZLWQJSA-N 0 0 232.323 3.956 20 0 BHADRN CCC/C=C/C(=O)O[C@@H](C)c1ccccc1C ZINC000735208374 584974483 /nfs/dbraw/zinc/97/44/83/584974483.db2.gz QNBTYAUPVKDVRT-VKUYVZBCSA-N 0 0 232.323 3.956 20 0 BHADRN CCC/C=C/C(=O)OC1CCCCCC1 ZINC000735208855 584974495 /nfs/dbraw/zinc/97/44/95/584974495.db2.gz UOVXNULRJGETPC-IZZDOVSWSA-N 0 0 210.317 3.609 20 0 BHADRN CCC/C=C\C(=O)OC1CCCCCC1 ZINC000735208856 584974542 /nfs/dbraw/zinc/97/45/42/584974542.db2.gz UOVXNULRJGETPC-WDZFZDKYSA-N 0 0 210.317 3.609 20 0 BHADRN CCC/C=C\C(=O)Oc1ccc(C)c(C)c1 ZINC000735208931 584974644 /nfs/dbraw/zinc/97/46/44/584974644.db2.gz PBZRQWQHQVDKJL-SREVYHEPSA-N 0 0 218.296 3.565 20 0 BHADRN CCC/C=C/C(=O)Oc1ccc(C)c(C)c1 ZINC000735208933 584974551 /nfs/dbraw/zinc/97/45/51/584974551.db2.gz PBZRQWQHQVDKJL-VOTSOKGWSA-N 0 0 218.296 3.565 20 0 BHADRN C[C@@H](CC(=O)O[C@@H]1CCC[C@@H](C)C1)n1cccc1 ZINC000735209071 584974642 /nfs/dbraw/zinc/97/46/42/584974642.db2.gz VPNGUOKPKISUBZ-HZSPNIEDSA-N 0 0 249.354 3.561 20 0 BHADRN C[C@H](CC(=O)O[C@H]1CCC[C@@H](C)C1)n1cccc1 ZINC000735209072 584974511 /nfs/dbraw/zinc/97/45/11/584974511.db2.gz VPNGUOKPKISUBZ-MCIONIFRSA-N 0 0 249.354 3.561 20 0 BHADRN C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C)C1)n1cccc1 ZINC000735209074 584974587 /nfs/dbraw/zinc/97/45/87/584974587.db2.gz VPNGUOKPKISUBZ-MGPQQGTHSA-N 0 0 249.354 3.561 20 0 BHADRN C[C@@H](CC(=O)O[C@H]1CCC[C@@H](C)C1)n1cccc1 ZINC000735209076 584974554 /nfs/dbraw/zinc/97/45/54/584974554.db2.gz VPNGUOKPKISUBZ-RDBSUJKOSA-N 0 0 249.354 3.561 20 0 BHADRN CCC/C=C\C(=O)Oc1ccc(C(=O)CC)cc1 ZINC000735209216 584974628 /nfs/dbraw/zinc/97/46/28/584974628.db2.gz SQMBRIIFOJGTMS-SREVYHEPSA-N 0 0 246.306 3.541 20 0 BHADRN CCC/C=C/C(=O)Oc1ccc(C(=O)CC)cc1 ZINC000735209217 584974615 /nfs/dbraw/zinc/97/46/15/584974615.db2.gz SQMBRIIFOJGTMS-VOTSOKGWSA-N 0 0 246.306 3.541 20 0 BHADRN CCC/C=C/C(=O)O[C@H](C)c1ccc(OC)cc1 ZINC000735209326 584974626 /nfs/dbraw/zinc/97/46/26/584974626.db2.gz ZDIHLXRLYICCNS-NNNHXZLVSA-N 0 0 248.322 3.656 20 0 BHADRN CCC/C=C\C(=O)O[C@H](C)c1ccc(OC)cc1 ZINC000735209327 584974547 /nfs/dbraw/zinc/97/45/47/584974547.db2.gz ZDIHLXRLYICCNS-ZHRWSRJISA-N 0 0 248.322 3.656 20 0 BHADRN CCc1ccccc1OC(=O)/C=C\C(C)(C)C ZINC000735209362 584974645 /nfs/dbraw/zinc/97/46/45/584974645.db2.gz UQYMXFLADBWWDM-KHPPLWFESA-N 0 0 232.323 3.757 20 0 BHADRN CCc1ccccc1OC(=O)/C=C/C(C)(C)C ZINC000735209363 584974541 /nfs/dbraw/zinc/97/45/41/584974541.db2.gz UQYMXFLADBWWDM-ZHACJKMWSA-N 0 0 232.323 3.757 20 0 BHADRN CCC/C=C\C(=O)Oc1cc(C)ccc1C ZINC000735209415 584974648 /nfs/dbraw/zinc/97/46/48/584974648.db2.gz WAWKZGDFMVNLCE-SREVYHEPSA-N 0 0 218.296 3.565 20 0 BHADRN CCC/C=C/C(=O)Oc1cc(C)ccc1C ZINC000735209416 584974502 /nfs/dbraw/zinc/97/45/02/584974502.db2.gz WAWKZGDFMVNLCE-VOTSOKGWSA-N 0 0 218.296 3.565 20 0 BHADRN CCC/C=C\C(=O)Oc1cc(C)cc(C)c1 ZINC000735209444 584974632 /nfs/dbraw/zinc/97/46/32/584974632.db2.gz WSUMOJSOCSAMDP-SREVYHEPSA-N 0 0 218.296 3.565 20 0 BHADRN CCC/C=C/C(=O)Oc1cc(C)cc(C)c1 ZINC000735209445 584974647 /nfs/dbraw/zinc/97/46/47/584974647.db2.gz WSUMOJSOCSAMDP-VOTSOKGWSA-N 0 0 218.296 3.565 20 0 BHADRN CCC/C=C\C(=O)Oc1ccc(OCCC)cc1 ZINC000735209649 584974499 /nfs/dbraw/zinc/97/44/99/584974499.db2.gz ZPBPQEOFZYCGCN-SREVYHEPSA-N 0 0 248.322 3.737 20 0 BHADRN CCC/C=C/C(=O)Oc1ccc(OCCC)cc1 ZINC000735209650 584974586 /nfs/dbraw/zinc/97/45/86/584974586.db2.gz ZPBPQEOFZYCGCN-VOTSOKGWSA-N 0 0 248.322 3.737 20 0 BHADRN CCC/C=C/C(=O)Oc1ccc(Cl)c(C)c1 ZINC000735209653 584974623 /nfs/dbraw/zinc/97/46/23/584974623.db2.gz ZSMKPWQXEPNWSZ-AATRIKPKSA-N 0 0 238.714 3.910 20 0 BHADRN CCC/C=C\C(=O)Oc1ccc(Cl)c(C)c1 ZINC000735209654 584974613 /nfs/dbraw/zinc/97/46/13/584974613.db2.gz ZSMKPWQXEPNWSZ-WAYWQWQTSA-N 0 0 238.714 3.910 20 0 BHADRN C[C@H](CC(=O)OCCC1CCCC1)n1cccc1 ZINC000735210468 584974678 /nfs/dbraw/zinc/97/46/78/584974678.db2.gz DDGJNNNOXAJHFY-CYBMUJFWSA-N 0 0 249.354 3.563 20 0 BHADRN C[C@@H](CC(=O)OCCC1CCCC1)n1cccc1 ZINC000735210469 584974590 /nfs/dbraw/zinc/97/45/90/584974590.db2.gz DDGJNNNOXAJHFY-ZDUSSCGKSA-N 0 0 249.354 3.563 20 0 BHADRN CCC/C=C\C(=O)O[C@@H](c1ccccn1)C(C)C ZINC000735210551 584974509 /nfs/dbraw/zinc/97/45/09/584974509.db2.gz GHYGNRFMEIVRBG-IZIDJEDMSA-N 0 0 247.338 3.678 20 0 BHADRN CCC/C=C\C(=O)O[C@H](c1ccccn1)C(C)C ZINC000735210552 584974630 /nfs/dbraw/zinc/97/46/30/584974630.db2.gz GHYGNRFMEIVRBG-MLBQELRYSA-N 0 0 247.338 3.678 20 0 BHADRN CCC/C=C/C(=O)O[C@@H](c1ccccn1)C(C)C ZINC000735210553 584974510 /nfs/dbraw/zinc/97/45/10/584974510.db2.gz GHYGNRFMEIVRBG-WCLQSUPFSA-N 0 0 247.338 3.678 20 0 BHADRN CCC/C=C/C(=O)O[C@H](c1ccccn1)C(C)C ZINC000735210554 584974620 /nfs/dbraw/zinc/97/46/20/584974620.db2.gz GHYGNRFMEIVRBG-WGPYJDKQSA-N 0 0 247.338 3.678 20 0 BHADRN CCC/C=C/C(=O)O[C@H](C)Cc1ccccc1 ZINC000735212056 584974635 /nfs/dbraw/zinc/97/46/35/584974635.db2.gz WKZSBHBOECZCMG-ASJRZHAZSA-N 0 0 232.323 3.517 20 0 BHADRN CCC/C=C\C(=O)O[C@@H](C)Cc1ccccc1 ZINC000735212057 584974577 /nfs/dbraw/zinc/97/45/77/584974577.db2.gz WKZSBHBOECZCMG-GXJZLWQJSA-N 0 0 232.323 3.517 20 0 BHADRN CCC/C=C\C(=O)O[C@H](C)Cc1ccccc1 ZINC000735212058 584974617 /nfs/dbraw/zinc/97/46/17/584974617.db2.gz WKZSBHBOECZCMG-TUOYRWMMSA-N 0 0 232.323 3.517 20 0 BHADRN CCC/C=C/C(=O)O[C@@H](C)Cc1ccccc1 ZINC000735212059 584974501 /nfs/dbraw/zinc/97/45/01/584974501.db2.gz WKZSBHBOECZCMG-VKUYVZBCSA-N 0 0 232.323 3.517 20 0 BHADRN CC(C)(C)/C=C/C(=O)OCCSC(C)(C)C ZINC000735215878 643528650 /nfs/dbraw/zinc/52/86/50/643528650.db2.gz FIDBHVYGVFBYOC-BQYQJAHWSA-N 0 0 244.400 3.664 20 0 BHADRN CC(C)(C)/C=C\C(=O)OCCSC(C)(C)C ZINC000735215880 643529285 /nfs/dbraw/zinc/52/92/85/643529285.db2.gz FIDBHVYGVFBYOC-FPLPWBNLSA-N 0 0 244.400 3.664 20 0 BHADRN CCC/C=C\C(=O)Oc1cccc(OC(C)C)c1 ZINC000735216863 643529209 /nfs/dbraw/zinc/52/92/09/643529209.db2.gz DPKLAGUGSXGMCK-POHAHGRESA-N 0 0 248.322 3.736 20 0 BHADRN CCC/C=C/C(=O)Oc1cccc(OC(C)C)c1 ZINC000735216864 643529493 /nfs/dbraw/zinc/52/94/93/643529493.db2.gz DPKLAGUGSXGMCK-UXBLZVDNSA-N 0 0 248.322 3.736 20 0 BHADRN CCC/C=C/C(=O)OC[C@H]1CCc2ccccc21 ZINC000735219208 643529918 /nfs/dbraw/zinc/52/99/18/643529918.db2.gz WGDIJGSCMPBROX-CEOUIICOSA-N 0 0 244.334 3.616 20 0 BHADRN CCC/C=C\C(=O)OC[C@@H]1CCc2ccccc21 ZINC000735219210 643528822 /nfs/dbraw/zinc/52/88/22/643528822.db2.gz WGDIJGSCMPBROX-DFGFTWQDSA-N 0 0 244.334 3.616 20 0 BHADRN CCC/C=C/C(=O)OC[C@@H]1CCc2ccccc21 ZINC000735219211 643529790 /nfs/dbraw/zinc/52/97/90/643529790.db2.gz WGDIJGSCMPBROX-MDDUGHTDSA-N 0 0 244.334 3.616 20 0 BHADRN CCC/C=C\C(=O)OC[C@H]1CCc2ccccc21 ZINC000735219213 643528136 /nfs/dbraw/zinc/52/81/36/643528136.db2.gz WGDIJGSCMPBROX-RXTQTKKPSA-N 0 0 244.334 3.616 20 0 BHADRN CCc1ccc(CSc2nccn2CC)cc1 ZINC000735230353 584973981 /nfs/dbraw/zinc/97/39/81/584973981.db2.gz JTABPRIJEJIYMG-UHFFFAOYSA-N 0 0 246.379 3.758 20 0 BHADRN CCCC[C@@H](CC)CC(=O)OCc1ccccn1 ZINC000735244045 584974869 /nfs/dbraw/zinc/97/48/69/584974869.db2.gz BUXFYWKJWLGMFD-CYBMUJFWSA-N 0 0 249.354 3.731 20 0 BHADRN CCCC[C@H](CC)CC(=O)OCc1ccccn1 ZINC000735244046 584974756 /nfs/dbraw/zinc/97/47/56/584974756.db2.gz BUXFYWKJWLGMFD-ZDUSSCGKSA-N 0 0 249.354 3.731 20 0 BHADRN CCCC[C@@H](CC)CC(=O)OCc1cccnc1 ZINC000735246422 584974774 /nfs/dbraw/zinc/97/47/74/584974774.db2.gz VPAOJIAQBGECGD-CYBMUJFWSA-N 0 0 249.354 3.731 20 0 BHADRN CCCC[C@H](CC)CC(=O)OCc1cccnc1 ZINC000735246423 584974823 /nfs/dbraw/zinc/97/48/23/584974823.db2.gz VPAOJIAQBGECGD-ZDUSSCGKSA-N 0 0 249.354 3.731 20 0 BHADRN CC[C@H]1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000735251399 584974772 /nfs/dbraw/zinc/97/47/72/584974772.db2.gz LLWDUXDNVILNSM-AWEZNQCLSA-N 0 0 249.398 3.916 20 0 BHADRN CC[C@@H]1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000735251401 584974684 /nfs/dbraw/zinc/97/46/84/584974684.db2.gz LLWDUXDNVILNSM-CQSZACIVSA-N 0 0 249.398 3.916 20 0 BHADRN CC[C@@H]1CCCN(C(=O)C=C2CCCC2)CC1 ZINC000735251702 584974821 /nfs/dbraw/zinc/97/48/21/584974821.db2.gz QPJQUNLYPRNJFG-CYBMUJFWSA-N 0 0 235.371 3.526 20 0 BHADRN CC[C@H]1CCCN(C(=O)C=C2CCCC2)CC1 ZINC000735251704 584974877 /nfs/dbraw/zinc/97/48/77/584974877.db2.gz QPJQUNLYPRNJFG-ZDUSSCGKSA-N 0 0 235.371 3.526 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCC[C@H](CC)CC1 ZINC000735251963 584974804 /nfs/dbraw/zinc/97/48/04/584974804.db2.gz XOCCWZYQCVEPKJ-DINCDJDBSA-N 0 0 237.387 3.772 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCC[C@H](CC)CC1 ZINC000735251964 584974790 /nfs/dbraw/zinc/97/47/90/584974790.db2.gz XOCCWZYQCVEPKJ-FNDVETGQSA-N 0 0 237.387 3.772 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCC[C@@H](CC)CC1 ZINC000735251965 584974811 /nfs/dbraw/zinc/97/48/11/584974811.db2.gz XOCCWZYQCVEPKJ-WUFNSSIPSA-N 0 0 237.387 3.772 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCC[C@@H](CC)CC1 ZINC000735251966 584974691 /nfs/dbraw/zinc/97/46/91/584974691.db2.gz XOCCWZYQCVEPKJ-XTZCOPOCSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C=C(/C)C(=O)Oc1ccc(OC(C)C)cc1 ZINC000735252186 584974785 /nfs/dbraw/zinc/97/47/85/584974785.db2.gz KQOHRPJXXIFJLF-SDQBBNPISA-N 0 0 248.322 3.736 20 0 BHADRN CC/C=C(\C)C(=O)Oc1ccc(OC(C)C)cc1 ZINC000735252287 584974882 /nfs/dbraw/zinc/97/48/82/584974882.db2.gz KQOHRPJXXIFJLF-WUXMJOGZSA-N 0 0 248.322 3.736 20 0 BHADRN C/C=C/C=C\C(=O)Oc1ccc(OC(C)C)cc1 ZINC000735253280 584974750 /nfs/dbraw/zinc/97/47/50/584974750.db2.gz HDJOXBUCMWMHRS-DEQVHDEQSA-N 0 0 246.306 3.512 20 0 BHADRN C/C=C/C=C/C(=O)Oc1ccc(OC(C)C)cc1 ZINC000735253281 584974763 /nfs/dbraw/zinc/97/47/63/584974763.db2.gz HDJOXBUCMWMHRS-YTXTXJHMSA-N 0 0 246.306 3.512 20 0 BHADRN CCCCC(=O)Oc1ccc(OC(C)C)cc1 ZINC000735253318 584974879 /nfs/dbraw/zinc/97/48/79/584974879.db2.gz JFKTWJRTCCMBRU-UHFFFAOYSA-N 0 0 236.311 3.569 20 0 BHADRN CC[C@@H]1CCCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC000735253795 584974782 /nfs/dbraw/zinc/97/47/82/584974782.db2.gz CHHXALXCSWJGDM-AORWBKJGSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@@H]1CCCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC000735253796 584974842 /nfs/dbraw/zinc/97/48/42/584974842.db2.gz CHHXALXCSWJGDM-CHOZFAJLSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@H]1CCCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC000735253797 584974794 /nfs/dbraw/zinc/97/47/94/584974794.db2.gz CHHXALXCSWJGDM-FROQITRMSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@H]1CCCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC000735253798 584974713 /nfs/dbraw/zinc/97/47/13/584974713.db2.gz CHHXALXCSWJGDM-KJJQSCHISA-N 0 0 237.387 3.627 20 0 BHADRN CCCCCCC(=O)N1CCC[C@H](CC)CC1 ZINC000735254898 584974812 /nfs/dbraw/zinc/97/48/12/584974812.db2.gz UYNFKAKMADULDY-AWEZNQCLSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCCCC(=O)N1CCC[C@@H](CC)CC1 ZINC000735254899 584974758 /nfs/dbraw/zinc/97/47/58/584974758.db2.gz UYNFKAKMADULDY-CQSZACIVSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCCCC(=O)N1CCCC[C@H]1C(C)C ZINC000735262301 584974936 /nfs/dbraw/zinc/97/49/36/584974936.db2.gz CMSDQQZQCGFVOL-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCCC(=O)N1CCCC[C@@H]1C(C)C ZINC000735262302 584975038 /nfs/dbraw/zinc/97/50/38/584975038.db2.gz CMSDQQZQCGFVOL-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)[C@@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC000735262997 643532934 /nfs/dbraw/zinc/53/29/34/643532934.db2.gz MTPCBNJXUDEMRZ-HNNXBMFYSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC000735262998 643530998 /nfs/dbraw/zinc/53/09/98/643530998.db2.gz MTPCBNJXUDEMRZ-OAHLLOKOSA-N 0 0 249.398 3.914 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCCC[C@H]1C(C)C ZINC000735263279 643532402 /nfs/dbraw/zinc/53/24/02/643532402.db2.gz RFRRHWQCYMOOHC-CMPYXILNSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCCC[C@H]1C(C)C ZINC000735263281 643530556 /nfs/dbraw/zinc/53/05/56/643530556.db2.gz RFRRHWQCYMOOHC-FZDNWWAKSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCCC[C@@H]1C(C)C ZINC000735263283 643532584 /nfs/dbraw/zinc/53/25/84/643532584.db2.gz RFRRHWQCYMOOHC-YBEMTRGBSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCCC[C@@H]1C(C)C ZINC000735263284 643532524 /nfs/dbraw/zinc/53/25/24/643532524.db2.gz RFRRHWQCYMOOHC-YPDDLIOESA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)[C@@H]1CCCCN1C(=O)C=C1CCCC1 ZINC000735263327 643530599 /nfs/dbraw/zinc/53/05/99/643530599.db2.gz STFKDZCHWPJPQS-AWEZNQCLSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)C=C1CCCC1 ZINC000735263328 643532462 /nfs/dbraw/zinc/53/24/62/643532462.db2.gz STFKDZCHWPJPQS-CQSZACIVSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC000735263766 643531957 /nfs/dbraw/zinc/53/19/57/643531957.db2.gz YZEUECRBSMXNQY-ASCRHOAZSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)[C@@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC000735263769 643531452 /nfs/dbraw/zinc/53/14/52/643531452.db2.gz YZEUECRBSMXNQY-LXKVQUBZSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)[C@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC000735263771 643532895 /nfs/dbraw/zinc/53/28/95/643532895.db2.gz YZEUECRBSMXNQY-WTNCMQEWSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)[C@@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC000735263775 643531853 /nfs/dbraw/zinc/53/18/53/643531853.db2.gz YZEUECRBSMXNQY-XPSMFNQNSA-N 0 0 237.387 3.626 20 0 BHADRN CCC/C=C\C(=O)Oc1ccc(OC(C)C)cc1 ZINC000735275252 584974977 /nfs/dbraw/zinc/97/49/77/584974977.db2.gz RHINSLCVXPBZQR-SREVYHEPSA-N 0 0 248.322 3.736 20 0 BHADRN CCC/C=C/C(=O)Oc1ccc(OC(C)C)cc1 ZINC000735275253 584974916 /nfs/dbraw/zinc/97/49/16/584974916.db2.gz RHINSLCVXPBZQR-VOTSOKGWSA-N 0 0 248.322 3.736 20 0 BHADRN CCc1ccc(COC(=O)c2occc2C)cc1 ZINC000735334030 643536403 /nfs/dbraw/zinc/53/64/03/643536403.db2.gz DKVFFAZNKMXWKR-UHFFFAOYSA-N 0 0 244.290 3.507 20 0 BHADRN CCc1ccc(COC(=O)CC(C)(C)C)cc1 ZINC000735334047 643536389 /nfs/dbraw/zinc/53/63/89/643536389.db2.gz RQRGBFXUOPVRFK-UHFFFAOYSA-N 0 0 234.339 3.728 20 0 BHADRN CCc1ccc(COC(=O)c2ccc(C)o2)cc1 ZINC000735334114 643537139 /nfs/dbraw/zinc/53/71/39/643537139.db2.gz MRISIBPOZBZAFL-UHFFFAOYSA-N 0 0 244.290 3.507 20 0 BHADRN CCc1ccc(COC(=O)c2cccs2)cc1 ZINC000735334270 643537714 /nfs/dbraw/zinc/53/77/14/643537714.db2.gz UTJFFEOWFUYZHZ-UHFFFAOYSA-N 0 0 246.331 3.668 20 0 BHADRN CCc1ccc(COC(=O)c2ccsc2)cc1 ZINC000735334597 643535906 /nfs/dbraw/zinc/53/59/06/643535906.db2.gz LFHAEZYXHBVEAQ-UHFFFAOYSA-N 0 0 246.331 3.668 20 0 BHADRN CC/C=C(/C)C(=O)OCc1ccc(CC)cc1 ZINC000735335799 643536070 /nfs/dbraw/zinc/53/60/70/643536070.db2.gz CAGBQVANNVYAAR-SDQBBNPISA-N 0 0 232.323 3.649 20 0 BHADRN CC/C=C(\C)C(=O)OCc1ccc(CC)cc1 ZINC000735335801 643536661 /nfs/dbraw/zinc/53/66/61/643536661.db2.gz CAGBQVANNVYAAR-WUXMJOGZSA-N 0 0 232.323 3.649 20 0 BHADRN CCc1ccc(COC(=O)CCC(C)C)cc1 ZINC000735336593 643536409 /nfs/dbraw/zinc/53/64/09/643536409.db2.gz KUDVDZLPJWXUMM-UHFFFAOYSA-N 0 0 234.339 3.728 20 0 BHADRN CCc1ccc(COC(=O)C2(C)CCCC2)cc1 ZINC000735337968 643536514 /nfs/dbraw/zinc/53/65/14/643536514.db2.gz UGHFQGSONXZMHH-UHFFFAOYSA-N 0 0 246.350 3.873 20 0 BHADRN CCc1ccc(COC(=O)[C@H]2CC=CCC2)cc1 ZINC000735338480 643537362 /nfs/dbraw/zinc/53/73/62/643537362.db2.gz YVUNEJUKHUGOQN-HNNXBMFYSA-N 0 0 244.334 3.649 20 0 BHADRN CCc1ccc(COC(=O)[C@@H]2CC=CCC2)cc1 ZINC000735338482 643536283 /nfs/dbraw/zinc/53/62/83/643536283.db2.gz YVUNEJUKHUGOQN-OAHLLOKOSA-N 0 0 244.334 3.649 20 0 BHADRN CCc1ccc(COC(=O)c2ccoc2C)cc1 ZINC000735340922 643537408 /nfs/dbraw/zinc/53/74/08/643537408.db2.gz XMZIEHXJNQRVST-UHFFFAOYSA-N 0 0 244.290 3.507 20 0 BHADRN CCC[C@@H](C)C(=O)OCc1ccc(CC)cc1 ZINC000735344161 584975721 /nfs/dbraw/zinc/97/57/21/584975721.db2.gz FCWDLYHOQNKCEF-GFCCVEGCSA-N 0 0 234.339 3.728 20 0 BHADRN CCC[C@H](C)C(=O)OCc1ccc(CC)cc1 ZINC000735344163 584975665 /nfs/dbraw/zinc/97/56/65/584975665.db2.gz FCWDLYHOQNKCEF-LBPRGKRZSA-N 0 0 234.339 3.728 20 0 BHADRN CCc1ccc(COC(=O)C(CC)CC)cc1 ZINC000735344440 584975725 /nfs/dbraw/zinc/97/57/25/584975725.db2.gz OVQNKNLGPRCKDM-UHFFFAOYSA-N 0 0 234.339 3.728 20 0 BHADRN CCc1ccc(COC(=O)/C=C(/C)C2CC2)cc1 ZINC000735344526 584975830 /nfs/dbraw/zinc/97/58/30/584975830.db2.gz JZONXGVCQOBAIP-BENRWUELSA-N 0 0 244.334 3.649 20 0 BHADRN CCc1ccc(COC(=O)/C=C(\C)C2CC2)cc1 ZINC000735344527 584975740 /nfs/dbraw/zinc/97/57/40/584975740.db2.gz JZONXGVCQOBAIP-ZRDIBKRKSA-N 0 0 244.334 3.649 20 0 BHADRN CCc1ccc(COC(=O)C[C@@H](C)C2CC2)cc1 ZINC000735347810 584975676 /nfs/dbraw/zinc/97/56/76/584975676.db2.gz NSPNJEASFHBSHI-GFCCVEGCSA-N 0 0 246.350 3.728 20 0 BHADRN CCc1ccc(COC(=O)C[C@H](C)C2CC2)cc1 ZINC000735347812 584975667 /nfs/dbraw/zinc/97/56/67/584975667.db2.gz NSPNJEASFHBSHI-LBPRGKRZSA-N 0 0 246.350 3.728 20 0 BHADRN CCc1ccc(COC(=O)[C@H](C)C(C)C)cc1 ZINC000735355936 584975694 /nfs/dbraw/zinc/97/56/94/584975694.db2.gz XKTGYZLMDBCWTB-GFCCVEGCSA-N 0 0 234.339 3.584 20 0 BHADRN CCc1ccc(COC(=O)[C@@H](C)C(C)C)cc1 ZINC000735355937 584975656 /nfs/dbraw/zinc/97/56/56/584975656.db2.gz XKTGYZLMDBCWTB-LBPRGKRZSA-N 0 0 234.339 3.584 20 0 BHADRN 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Cc1ccc(CCOC(=O)C2(C)CCCC2)cc1 ZINC000735400408 643542663 /nfs/dbraw/zinc/54/26/63/643542663.db2.gz OZPPJOINOCJQDP-UHFFFAOYSA-N 0 0 246.350 3.661 20 0 BHADRN CCCCCC(=O)OCCc1ccc(C)cc1 ZINC000735400747 584976434 /nfs/dbraw/zinc/97/64/34/584976434.db2.gz SCVGHQBCADVCGN-UHFFFAOYSA-N 0 0 234.339 3.661 20 0 BHADRN CCC(CC)C(=O)OCCc1ccc(C)cc1 ZINC000735401451 584976466 /nfs/dbraw/zinc/97/64/66/584976466.db2.gz AGFMKYSUMDLRTO-UHFFFAOYSA-N 0 0 234.339 3.517 20 0 BHADRN Cc1ccc(CCOC(=O)CC(C)(C)C)cc1 ZINC000735401639 584976411 /nfs/dbraw/zinc/97/64/11/584976411.db2.gz KLDDMUQFCLQULQ-UHFFFAOYSA-N 0 0 234.339 3.517 20 0 BHADRN C[C@H]1CCC[C@@H](Sc2nccn2C2CC2)C1 ZINC000735413785 584975917 /nfs/dbraw/zinc/97/59/17/584975917.db2.gz JZUXEWHSBUYFFM-CMPLNLGQSA-N 0 0 236.384 3.889 20 0 BHADRN C[C@H]1CCC[C@H](Sc2nccn2C2CC2)C1 ZINC000735413786 584976064 /nfs/dbraw/zinc/97/60/64/584976064.db2.gz JZUXEWHSBUYFFM-JQWIXIFHSA-N 0 0 236.384 3.889 20 0 BHADRN C[C@@H]1CCC[C@H](Sc2nccn2C2CC2)C1 ZINC000735413787 584976081 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C/C=C/C=C/C(=O)Oc1c(C)cccc1Cl ZINC000736021219 584986864 /nfs/dbraw/zinc/98/68/64/584986864.db2.gz AAYDKEPGPAEEMZ-PRKJJMSOSA-N 0 0 236.698 3.686 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)C1CCCC1 ZINC000736021618 584986799 /nfs/dbraw/zinc/98/67/99/584986799.db2.gz GDSKVSYXMMUQMI-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)CCC1CC1 ZINC000736021619 584986873 /nfs/dbraw/zinc/98/68/73/584986873.db2.gz GEKAXEKZLKLTCJ-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CCCCC(=O)Oc1c(C)cccc1Cl ZINC000736022268 584986844 /nfs/dbraw/zinc/98/68/44/584986844.db2.gz RCNDITBRNZAAFQ-UHFFFAOYSA-N 0 0 226.703 3.744 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)[C@@H](C)C(C)C ZINC000736022523 584986892 /nfs/dbraw/zinc/98/68/92/584986892.db2.gz WRSZSRRXBMLKJR-JTQLQIEISA-N 0 0 240.730 3.846 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)[C@H](C)C(C)C ZINC000736022527 584986921 /nfs/dbraw/zinc/98/69/21/584986921.db2.gz WRSZSRRXBMLKJR-SNVBAGLBSA-N 0 0 240.730 3.846 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)CC(C)C ZINC000736022556 584986943 /nfs/dbraw/zinc/98/69/43/584986943.db2.gz XGSQGBUDMYRYBY-UHFFFAOYSA-N 0 0 226.703 3.600 20 0 BHADRN CC[C@@H](C)C(=O)Oc1c(C)cccc1Cl ZINC000736022613 584986827 /nfs/dbraw/zinc/98/68/27/584986827.db2.gz DSTOYOFSUCHUQR-MRVPVSSYSA-N 0 0 226.703 3.600 20 0 BHADRN CC[C@H](C)C(=O)Oc1c(C)cccc1Cl ZINC000736022615 584986971 /nfs/dbraw/zinc/98/69/71/584986971.db2.gz DSTOYOFSUCHUQR-QMMMGPOBSA-N 0 0 226.703 3.600 20 0 BHADRN CCC[C@H](C)C(=O)Oc1c(C)cccc1Cl ZINC000736023024 584986789 /nfs/dbraw/zinc/98/67/89/584986789.db2.gz WCCZRSHTUVBEJW-JTQLQIEISA-N 0 0 240.730 3.990 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1c(C)cccc1Cl ZINC000736023025 584986905 /nfs/dbraw/zinc/98/69/05/584986905.db2.gz WCCZRSHTUVBEJW-SNVBAGLBSA-N 0 0 240.730 3.990 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)CCC(C)C ZINC000736023074 584986754 /nfs/dbraw/zinc/98/67/54/584986754.db2.gz AKLOGZKUURCSTD-UHFFFAOYSA-N 0 0 240.730 3.990 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)CC(C)(C)C ZINC000736023103 584986811 /nfs/dbraw/zinc/98/68/11/584986811.db2.gz YJXGFWDGQZFLMG-UHFFFAOYSA-N 0 0 240.730 3.990 20 0 BHADRN Cc1ccc(C(=O)O[C@H](C)c2cccc(C)c2)o1 ZINC000736024220 584986872 /nfs/dbraw/zinc/98/68/72/584986872.db2.gz DZDACGBHFGBQCQ-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1ccc(C(=O)O[C@@H](C)c2cccc(C)c2)o1 ZINC000736024221 584986785 /nfs/dbraw/zinc/98/67/85/584986785.db2.gz DZDACGBHFGBQCQ-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN C/C=C/C=C\C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000736024674 584986821 /nfs/dbraw/zinc/98/68/21/584986821.db2.gz NMABBZYZFCMEBD-VAAUUJCMSA-N 0 0 230.307 3.732 20 0 BHADRN C/C=C/C=C\C(=O)O[C@H](C)c1cccc(C)c1 ZINC000736024675 584986894 /nfs/dbraw/zinc/98/68/94/584986894.db2.gz NMABBZYZFCMEBD-VDZDXPLRSA-N 0 0 230.307 3.732 20 0 BHADRN Cc1ccoc1C(=O)O[C@H](C)c1cccc(C)c1 ZINC000736025021 584986925 /nfs/dbraw/zinc/98/69/25/584986925.db2.gz SEYFQNKIRJBZSM-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1ccoc1C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000736025022 584986911 /nfs/dbraw/zinc/98/69/11/584986911.db2.gz SEYFQNKIRJBZSM-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)CCC2CC2)c1 ZINC000736025029 584986828 /nfs/dbraw/zinc/98/68/28/584986828.db2.gz SLXWPNZRTCEDDF-GFCCVEGCSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)CCC2CC2)c1 ZINC000736025030 584986967 /nfs/dbraw/zinc/98/69/67/584986967.db2.gz SLXWPNZRTCEDDF-LBPRGKRZSA-N 0 0 232.323 3.789 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)C2CCCC2)[C@@H](C)C1 ZINC000736028049 584987083 /nfs/dbraw/zinc/98/70/83/584987083.db2.gz KNOJYUNUXKZHPT-MDZLAQPJSA-N 0 0 224.344 3.545 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)C2CCCC2)[C@H](C)C1 ZINC000736028050 584987086 /nfs/dbraw/zinc/98/70/86/584987086.db2.gz KNOJYUNUXKZHPT-NQBHXWOUSA-N 0 0 224.344 3.545 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)C2CCCC2)[C@@H](C)C1 ZINC000736028051 584986992 /nfs/dbraw/zinc/98/69/92/584986992.db2.gz KNOJYUNUXKZHPT-NTZNESFSSA-N 0 0 224.344 3.545 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)C2CCCC2)[C@H](C)C1 ZINC000736028052 584987056 /nfs/dbraw/zinc/98/70/56/584987056.db2.gz KNOJYUNUXKZHPT-WZRBSPASSA-N 0 0 224.344 3.545 20 0 BHADRN Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C)C[C@H]2C)o1 ZINC000736028073 584987091 /nfs/dbraw/zinc/98/70/91/584987091.db2.gz LDZCXYARYVDNBD-CKYFFXLPSA-N 0 0 236.311 3.570 20 0 BHADRN Cc1ccc(C(=O)O[C@@H]2CC[C@H](C)C[C@H]2C)o1 ZINC000736028074 584987093 /nfs/dbraw/zinc/98/70/93/584987093.db2.gz LDZCXYARYVDNBD-HOSYDEDBSA-N 0 0 236.311 3.570 20 0 BHADRN Cc1ccc(C(=O)O[C@@H]2CC[C@H](C)C[C@@H]2C)o1 ZINC000736028075 584986983 /nfs/dbraw/zinc/98/69/83/584986983.db2.gz LDZCXYARYVDNBD-JBLDHEPKSA-N 0 0 236.311 3.570 20 0 BHADRN Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C)C[C@@H]2C)o1 ZINC000736028076 584987184 /nfs/dbraw/zinc/98/71/84/584987184.db2.gz LDZCXYARYVDNBD-JFGNBEQYSA-N 0 0 236.311 3.570 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)CCC2CC2)[C@@H](C)C1 ZINC000736028838 584986985 /nfs/dbraw/zinc/98/69/85/584986985.db2.gz PWYKBSFSYBSUIJ-MDZLAQPJSA-N 0 0 224.344 3.545 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)CCC2CC2)[C@H](C)C1 ZINC000736028840 584987098 /nfs/dbraw/zinc/98/70/98/584987098.db2.gz PWYKBSFSYBSUIJ-NQBHXWOUSA-N 0 0 224.344 3.545 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)CCC2CC2)[C@@H](C)C1 ZINC000736028843 584987175 /nfs/dbraw/zinc/98/71/75/584987175.db2.gz PWYKBSFSYBSUIJ-NTZNESFSSA-N 0 0 224.344 3.545 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)CCC2CC2)[C@H](C)C1 ZINC000736028844 584987050 /nfs/dbraw/zinc/98/70/50/584987050.db2.gz PWYKBSFSYBSUIJ-WZRBSPASSA-N 0 0 224.344 3.545 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)c2ccsc2)c1 ZINC000736029006 584987003 /nfs/dbraw/zinc/98/70/03/584987003.db2.gz OYTFWSHDNIPIOT-LLVKDONJSA-N 0 0 246.331 3.975 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)c2ccsc2)c1 ZINC000736029008 584987054 /nfs/dbraw/zinc/98/70/54/584987054.db2.gz OYTFWSHDNIPIOT-NSHDSACASA-N 0 0 246.331 3.975 20 0 BHADRN CC(C)=CC(=O)O[C@H](C)c1cccc(C)c1 ZINC000736029407 584987181 /nfs/dbraw/zinc/98/71/81/584987181.db2.gz JEDOTLWKDUIKOW-GFCCVEGCSA-N 0 0 218.296 3.565 20 0 BHADRN CC(C)=CC(=O)O[C@@H](C)c1cccc(C)c1 ZINC000736029408 584987197 /nfs/dbraw/zinc/98/71/97/584987197.db2.gz JEDOTLWKDUIKOW-LBPRGKRZSA-N 0 0 218.296 3.565 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)[C@H](C)C(C)C)c1 ZINC000736029899 584987196 /nfs/dbraw/zinc/98/71/96/584987196.db2.gz VIINRXAHBWERDE-CHWSQXEVSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@H](C)C(C)C)c1 ZINC000736029900 584987138 /nfs/dbraw/zinc/98/71/38/584987138.db2.gz VIINRXAHBWERDE-OLZOCXBDSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)[C@@H](C)C(C)C)c1 ZINC000736029902 584987079 /nfs/dbraw/zinc/98/70/79/584987079.db2.gz VIINRXAHBWERDE-QWHCGFSZSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@@H](C)C(C)C)c1 ZINC000736029903 584987179 /nfs/dbraw/zinc/98/71/79/584987179.db2.gz VIINRXAHBWERDE-STQMWFEESA-N 0 0 234.339 3.891 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)c2ccccc2)c1 ZINC000736029923 584987029 /nfs/dbraw/zinc/98/70/29/584987029.db2.gz VPGQOVISMSWRNO-CYBMUJFWSA-N 0 0 240.302 3.913 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)c2ccccc2)c1 ZINC000736029925 584987027 /nfs/dbraw/zinc/98/70/27/584987027.db2.gz VPGQOVISMSWRNO-ZDUSSCGKSA-N 0 0 240.302 3.913 20 0 BHADRN CCCCC(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000736029984 584987053 /nfs/dbraw/zinc/98/70/53/584987053.db2.gz UWBJAURYUDFALY-GRYCIOLGSA-N 0 0 212.333 3.545 20 0 BHADRN CCCCC(=O)O[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000736029985 584987048 /nfs/dbraw/zinc/98/70/48/584987048.db2.gz UWBJAURYUDFALY-IJLUTSLNSA-N 0 0 212.333 3.545 20 0 BHADRN CCCCC(=O)O[C@@H]1CC[C@H](C)C[C@H]1C ZINC000736029986 584987055 /nfs/dbraw/zinc/98/70/55/584987055.db2.gz UWBJAURYUDFALY-QJPTWQEYSA-N 0 0 212.333 3.545 20 0 BHADRN CCCCC(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000736029987 584986994 /nfs/dbraw/zinc/98/69/94/584986994.db2.gz UWBJAURYUDFALY-SDDRHHMPSA-N 0 0 212.333 3.545 20 0 BHADRN Cc1occc1C(=O)O[C@H](C)c1cccc(C)c1 ZINC000736030293 584987033 /nfs/dbraw/zinc/98/70/33/584987033.db2.gz WBRIRZHWGSHYDI-LLVKDONJSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1occc1C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000736030295 584987116 /nfs/dbraw/zinc/98/71/16/584987116.db2.gz WBRIRZHWGSHYDI-NSHDSACASA-N 0 0 244.290 3.814 20 0 BHADRN Cc1ccoc1C(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000736030470 584987178 /nfs/dbraw/zinc/98/71/78/584987178.db2.gz WFAAQOQQHLTLPR-ADEWGFFLSA-N 0 0 236.311 3.570 20 0 BHADRN Cc1ccoc1C(=O)O[C@@H]1CC[C@H](C)C[C@H]1C ZINC000736030471 584986990 /nfs/dbraw/zinc/98/69/90/584986990.db2.gz WFAAQOQQHLTLPR-MVWJERBFSA-N 0 0 236.311 3.570 20 0 BHADRN Cc1ccoc1C(=O)O[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000736030472 584987185 /nfs/dbraw/zinc/98/71/85/584987185.db2.gz WFAAQOQQHLTLPR-YUSALJHKSA-N 0 0 236.311 3.570 20 0 BHADRN Cc1ccoc1C(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000736030473 584987152 /nfs/dbraw/zinc/98/71/52/584987152.db2.gz WFAAQOQQHLTLPR-ZMLRMANQSA-N 0 0 236.311 3.570 20 0 BHADRN C/C(=C/C(=O)O[C@H](C)c1cccc(C)c1)C1CC1 ZINC000736030810 584987186 /nfs/dbraw/zinc/98/71/86/584987186.db2.gz SHQMDKGZZBRFED-KXXVWKPMSA-N 0 0 244.334 3.956 20 0 BHADRN C/C(=C\C(=O)O[C@H](C)c1cccc(C)c1)C1CC1 ZINC000736030811 584987009 /nfs/dbraw/zinc/98/70/09/584987009.db2.gz SHQMDKGZZBRFED-RSKUSDAESA-N 0 0 244.334 3.956 20 0 BHADRN C/C(=C/C(=O)O[C@@H](C)c1cccc(C)c1)C1CC1 ZINC000736030812 584987143 /nfs/dbraw/zinc/98/71/43/584987143.db2.gz SHQMDKGZZBRFED-UKVQZPPCSA-N 0 0 244.334 3.956 20 0 BHADRN C/C(=C\C(=O)O[C@@H](C)c1cccc(C)c1)C1CC1 ZINC000736030813 584987131 /nfs/dbraw/zinc/98/71/31/584987131.db2.gz SHQMDKGZZBRFED-XSNHNAGMSA-N 0 0 244.334 3.956 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)c2cccs2)[C@H](C)C1 ZINC000736031393 584987059 /nfs/dbraw/zinc/98/70/59/584987059.db2.gz BBGYZZTYMQEWBC-GMTAPVOTSA-N 0 0 238.352 3.730 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)c2cccs2)[C@H](C)C1 ZINC000736031394 584987158 /nfs/dbraw/zinc/98/71/58/584987158.db2.gz BBGYZZTYMQEWBC-MXWKQRLJSA-N 0 0 238.352 3.730 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)c2cccs2)[C@@H](C)C1 ZINC000736031395 584987103 /nfs/dbraw/zinc/98/71/03/584987103.db2.gz BBGYZZTYMQEWBC-OUAUKWLOSA-N 0 0 238.352 3.730 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)c2cccs2)[C@@H](C)C1 ZINC000736031396 584986986 /nfs/dbraw/zinc/98/69/86/584986986.db2.gz BBGYZZTYMQEWBC-VWYCJHECSA-N 0 0 238.352 3.730 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)c2ccsc2)[C@H](C)C1 ZINC000736031821 584987376 /nfs/dbraw/zinc/98/73/76/584987376.db2.gz DFLQTKWMZVMBOF-CKYFFXLPSA-N 0 0 238.352 3.730 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)c2ccsc2)[C@H](C)C1 ZINC000736031824 584987362 /nfs/dbraw/zinc/98/73/62/584987362.db2.gz DFLQTKWMZVMBOF-FOGDFJRCSA-N 0 0 238.352 3.730 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)c2ccsc2)[C@@H](C)C1 ZINC000736031826 584987463 /nfs/dbraw/zinc/98/74/63/584987463.db2.gz DFLQTKWMZVMBOF-JFGNBEQYSA-N 0 0 238.352 3.730 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)c2ccsc2)[C@@H](C)C1 ZINC000736031828 584987233 /nfs/dbraw/zinc/98/72/33/584987233.db2.gz DFLQTKWMZVMBOF-SCVCMEIPSA-N 0 0 238.352 3.730 20 0 BHADRN CC/C=C(\C)C(=O)O[C@H](C)c1cccc(C)c1 ZINC000736032873 584987396 /nfs/dbraw/zinc/98/73/96/584987396.db2.gz XSHTYSWNGKRWJF-BWODNOAJSA-N 0 0 232.323 3.956 20 0 BHADRN CC/C=C(/C)C(=O)O[C@H](C)c1cccc(C)c1 ZINC000736032874 584987452 /nfs/dbraw/zinc/98/74/52/584987452.db2.gz XSHTYSWNGKRWJF-FFXRNRBCSA-N 0 0 232.323 3.956 20 0 BHADRN CC/C=C(/C)C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000736032877 584987391 /nfs/dbraw/zinc/98/73/91/584987391.db2.gz XSHTYSWNGKRWJF-OTAKNEKHSA-N 0 0 232.323 3.956 20 0 BHADRN CC/C=C(\C)C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000736032880 584987471 /nfs/dbraw/zinc/98/74/71/584987471.db2.gz XSHTYSWNGKRWJF-WHGQRRHOSA-N 0 0 232.323 3.956 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)C[C@H]2C=CCC2)[C@H](C)C1 ZINC000736032890 584987241 /nfs/dbraw/zinc/98/72/41/584987241.db2.gz IWKSXFRURBLSQP-MQYQWHSLSA-N 0 0 236.355 3.711 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)C[C@H]2C=CCC2)[C@@H](C)C1 ZINC000736032892 584987401 /nfs/dbraw/zinc/98/74/01/584987401.db2.gz IWKSXFRURBLSQP-RFGFWPKPSA-N 0 0 236.355 3.711 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)C[C@@H]2C=CCC2)[C@@H](C)C1 ZINC000736032893 584987280 /nfs/dbraw/zinc/98/72/80/584987280.db2.gz IWKSXFRURBLSQP-RQJABVFESA-N 0 0 236.355 3.711 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)C[C@@H]2C=CCC2)[C@H](C)C1 ZINC000736032894 584987444 /nfs/dbraw/zinc/98/74/44/584987444.db2.gz IWKSXFRURBLSQP-SYQHCUMBSA-N 0 0 236.355 3.711 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)/C=C\c2ccco2)[C@H](C)C1 ZINC000736033510 584987330 /nfs/dbraw/zinc/98/73/30/584987330.db2.gz MKPYMKALOHGKQN-CBYDSRMGSA-N 0 0 248.322 3.661 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)/C=C\c2ccco2)[C@@H](C)C1 ZINC000736033511 584987258 /nfs/dbraw/zinc/98/72/58/584987258.db2.gz MKPYMKALOHGKQN-HAVNKQNISA-N 0 0 248.322 3.661 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)/C=C/c2ccco2)[C@@H](C)C1 ZINC000736033512 584987250 /nfs/dbraw/zinc/98/72/50/584987250.db2.gz MKPYMKALOHGKQN-MDZITOCBSA-N 0 0 248.322 3.661 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)/C=C/c2ccco2)[C@H](C)C1 ZINC000736033513 584987209 /nfs/dbraw/zinc/98/72/09/584987209.db2.gz MKPYMKALOHGKQN-SGFDLPPYSA-N 0 0 248.322 3.661 20 0 BHADRN Cc1occc1C(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000736033914 584987251 /nfs/dbraw/zinc/98/72/51/584987251.db2.gz NUIIIMCLLXAAGP-GBIKHYSHSA-N 0 0 236.311 3.570 20 0 BHADRN Cc1occc1C(=O)O[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000736033915 584987478 /nfs/dbraw/zinc/98/74/78/584987478.db2.gz NUIIIMCLLXAAGP-GIPNMCIBSA-N 0 0 236.311 3.570 20 0 BHADRN Cc1occc1C(=O)O[C@@H]1CC[C@H](C)C[C@H]1C ZINC000736033916 584987369 /nfs/dbraw/zinc/98/73/69/584987369.db2.gz NUIIIMCLLXAAGP-OPQQBVKSSA-N 0 0 236.311 3.570 20 0 BHADRN Cc1occc1C(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000736033917 584987435 /nfs/dbraw/zinc/98/74/35/584987435.db2.gz NUIIIMCLLXAAGP-OUJBWJOFSA-N 0 0 236.311 3.570 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)[C@H]2CC=CCC2)[C@H](C)C1 ZINC000736034532 584987420 /nfs/dbraw/zinc/98/74/20/584987420.db2.gz QARZDCULKYJWPZ-MQYQWHSLSA-N 0 0 236.355 3.711 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000736034534 584987421 /nfs/dbraw/zinc/98/74/21/584987421.db2.gz QARZDCULKYJWPZ-RFGFWPKPSA-N 0 0 236.355 3.711 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000736034536 584987404 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NRWCZFDUYSWKBE-JLVNDZCYSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C=C\C(=O)N[C@@H](C)CCC(C)(C)C ZINC000736257826 584994400 /nfs/dbraw/zinc/99/44/00/584994400.db2.gz NRWCZFDUYSWKBE-LAUAKBEESA-N 0 0 225.376 3.674 20 0 BHADRN Cc1ccc([C@H](C)Nc2nccc(C)n2)c(C)c1 ZINC000736287069 584995551 /nfs/dbraw/zinc/99/55/51/584995551.db2.gz UDXSPFQKNWMDOO-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN CC(=O)c1c(F)cccc1NCCCC1CC1 ZINC000736299730 584996159 /nfs/dbraw/zinc/99/61/59/584996159.db2.gz UIJVPLYLKIDUPO-UHFFFAOYSA-N 0 0 235.302 3.630 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)OC(C)(C)C ZINC000736338737 584998243 /nfs/dbraw/zinc/99/82/43/584998243.db2.gz FBTCCUHMPRRTRS-UHFFFAOYSA-N 0 0 242.702 3.962 20 0 BHADRN Cc1cccc(C(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000736345547 584998450 /nfs/dbraw/zinc/99/84/50/584998450.db2.gz SIHFAAJSHCPMAK-UHFFFAOYSA-N 0 0 249.354 3.755 20 0 BHADRN FC(F)C(F)(F)CSC1CCCCC1 ZINC000736433743 585002198 /nfs/dbraw/zinc/00/21/98/585002198.db2.gz GQBZUNSPCAYXAF-UHFFFAOYSA-N 0 0 230.270 3.953 20 0 BHADRN CCCC(CCC)SCc1nonc1C ZINC000736436772 585002091 /nfs/dbraw/zinc/00/20/91/585002091.db2.gz BGJNGAKYDBLFSW-UHFFFAOYSA-N 0 0 228.361 3.580 20 0 BHADRN Cc1ccccc1SCC(F)(F)C(F)F ZINC000736437967 585002103 /nfs/dbraw/zinc/00/21/03/585002103.db2.gz ODAGGCZVRVTMMN-UHFFFAOYSA-N 0 0 238.249 3.988 20 0 BHADRN CCC/C=C\C(=O)NC(C)(C)c1cccc(F)c1 ZINC000736574388 585006324 /nfs/dbraw/zinc/00/63/24/585006324.db2.gz OATFANSWBJYGHW-POHAHGRESA-N 0 0 249.329 3.533 20 0 BHADRN CCC/C=C/C(=O)NC(C)(C)c1cccc(F)c1 ZINC000736574396 585006564 /nfs/dbraw/zinc/00/65/64/585006564.db2.gz OATFANSWBJYGHW-UXBLZVDNSA-N 0 0 249.329 3.533 20 0 BHADRN CCN(Cc1csc(C)n1)c1ccc(C)cc1 ZINC000736619686 585008110 /nfs/dbraw/zinc/00/81/10/585008110.db2.gz FXGPYEDTRZJRMA-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CC(C)N(CC(F)(F)C(F)F)C1CCCC1 ZINC000736619832 585008115 /nfs/dbraw/zinc/00/81/15/585008115.db2.gz PPEOGCQDDKMWLH-UHFFFAOYSA-N 0 0 241.272 3.540 20 0 BHADRN CCN(CC(F)(F)C(F)F)c1ccc(C)cc1 ZINC000736619875 585008022 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C[C@H]1CN(CC(F)(F)C(F)F)c2ccccc21 ZINC000736622072 585008068 /nfs/dbraw/zinc/00/80/68/585008068.db2.gz VKCFWXUPSNNWHC-QMMMGPOBSA-N 0 0 247.235 3.511 20 0 BHADRN CCCCN(CCCC)CC(F)(F)C(F)F ZINC000736622132 585008140 /nfs/dbraw/zinc/00/81/40/585008140.db2.gz YPILRBKVFDWKFE-UHFFFAOYSA-N 0 0 243.288 3.789 20 0 BHADRN CCC(CC)CN(CC)CC(F)(F)C(F)F ZINC000736622401 585008191 /nfs/dbraw/zinc/00/81/91/585008191.db2.gz STYHLHSHOZJIED-UHFFFAOYSA-N 0 0 243.288 3.645 20 0 BHADRN CCC(=O)OCCCc1cccc2ccccc21 ZINC000736740324 585011076 /nfs/dbraw/zinc/01/10/76/585011076.db2.gz SDMPSVRBQFPBNU-UHFFFAOYSA-N 0 0 242.318 3.726 20 0 BHADRN CCC[C@@H](C)C(=O)OCCc1ccc(C)cc1 ZINC000736786971 711927701 /nfs/dbraw/zinc/92/77/01/711927701.db2.gz LRCFELNVXLTYIK-CYBMUJFWSA-N 0 0 234.339 3.517 20 0 BHADRN CCC[C@H](C)C(=O)OCCc1ccc(C)cc1 ZINC000736786976 711927637 /nfs/dbraw/zinc/92/76/37/711927637.db2.gz LRCFELNVXLTYIK-ZDUSSCGKSA-N 0 0 234.339 3.517 20 0 BHADRN CC(C)CCOC(=O)c1cc2occc2s1 ZINC000736889402 585018971 /nfs/dbraw/zinc/01/89/71/585018971.db2.gz DZRRQGDRXPUZSR-UHFFFAOYSA-N 0 0 238.308 3.697 20 0 BHADRN CCCCCOC(=O)c1cc2occc2s1 ZINC000736891499 585018763 /nfs/dbraw/zinc/01/87/63/585018763.db2.gz GCBZHOGCBRPMQD-UHFFFAOYSA-N 0 0 238.308 3.841 20 0 BHADRN O=C(O[C@@H]1C=CCCC1)c1cc2occc2s1 ZINC000736895073 585019001 /nfs/dbraw/zinc/01/90/01/585019001.db2.gz ALRKXKVFTIXXIY-SECBINFHSA-N 0 0 248.303 3.760 20 0 BHADRN O=C(O[C@H]1C=CCCC1)c1cc2occc2s1 ZINC000736895082 585018915 /nfs/dbraw/zinc/01/89/15/585018915.db2.gz ALRKXKVFTIXXIY-VIFPVBQESA-N 0 0 248.303 3.760 20 0 BHADRN CCCOC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000736914578 585019415 /nfs/dbraw/zinc/01/94/15/585019415.db2.gz ADUNMKSIWFLSQM-UHFFFAOYSA-N 0 0 240.730 3.571 20 0 BHADRN CCCCOC(=O)CCc1cc(Cl)cs1 ZINC000736936757 585019752 /nfs/dbraw/zinc/01/97/52/585019752.db2.gz NEXZUPFKNBNRBZ-UHFFFAOYSA-N 0 0 246.759 3.677 20 0 BHADRN Cc1cccc(CN(C)c2ccc(C)c(C)c2)n1 ZINC000736945645 585019754 /nfs/dbraw/zinc/01/97/54/585019754.db2.gz IIDDPRBZFFBGQW-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1ccc(N(C)Cc2cccc(C)n2)c(C)c1 ZINC000736946306 585019805 /nfs/dbraw/zinc/01/98/05/585019805.db2.gz YTDNYSQFSJYUPR-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN CC(C)COC(=O)CCc1cc(Cl)cs1 ZINC000736946352 585019720 /nfs/dbraw/zinc/01/97/20/585019720.db2.gz PITOXJNATNTGFN-UHFFFAOYSA-N 0 0 246.759 3.533 20 0 BHADRN CSCCCC(=O)OC1CCCCCCC1 ZINC000737321955 585030202 /nfs/dbraw/zinc/03/02/02/585030202.db2.gz DMVCQNKWFXHCLL-UHFFFAOYSA-N 0 0 244.400 3.786 20 0 BHADRN CC/C=C\COC(=O)c1cc2occc2s1 ZINC000737324861 585030213 /nfs/dbraw/zinc/03/02/13/585030213.db2.gz XJNHTDAKCAHKOD-ARJAWSKDSA-N 0 0 236.292 3.617 20 0 BHADRN CC/C=C/COC(=O)c1cc2occc2s1 ZINC000737324862 585030419 /nfs/dbraw/zinc/03/04/19/585030419.db2.gz XJNHTDAKCAHKOD-ONEGZZNKSA-N 0 0 236.292 3.617 20 0 BHADRN CC[C@@H](C)OC(=O)CCc1cc(Cl)cs1 ZINC000737325458 585030212 /nfs/dbraw/zinc/03/02/12/585030212.db2.gz FDNRNEGRNXKFCP-MRVPVSSYSA-N 0 0 246.759 3.676 20 0 BHADRN CC[C@H](C)OC(=O)CCc1cc(Cl)cs1 ZINC000737325459 585030333 /nfs/dbraw/zinc/03/03/33/585030333.db2.gz FDNRNEGRNXKFCP-QMMMGPOBSA-N 0 0 246.759 3.676 20 0 BHADRN CC(C)(C)COC(=O)c1cc2occc2s1 ZINC000737330519 585030226 /nfs/dbraw/zinc/03/02/26/585030226.db2.gz NQLGQRHFNXEFCL-UHFFFAOYSA-N 0 0 238.308 3.697 20 0 BHADRN Cc1c[nH]cc1C(=O)O[C@H](C)c1cccc(C)c1 ZINC000737338970 585030504 /nfs/dbraw/zinc/03/05/04/585030504.db2.gz GMRZKNOZIQXMOW-GFCCVEGCSA-N 0 0 243.306 3.550 20 0 BHADRN Cc1c[nH]cc1C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000737338974 585030488 /nfs/dbraw/zinc/03/04/88/585030488.db2.gz GMRZKNOZIQXMOW-LBPRGKRZSA-N 0 0 243.306 3.550 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)CCCSC)C1 ZINC000737339058 585030420 /nfs/dbraw/zinc/03/04/20/585030420.db2.gz HKJLTJPDGCBLSC-NEPJUHHUSA-N 0 0 244.400 3.642 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)CCCSC)C1 ZINC000737339060 585030480 /nfs/dbraw/zinc/03/04/80/585030480.db2.gz HKJLTJPDGCBLSC-NWDGAFQWSA-N 0 0 244.400 3.642 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)CCCSC)C1 ZINC000737339061 585030439 /nfs/dbraw/zinc/03/04/39/585030439.db2.gz HKJLTJPDGCBLSC-RYUDHWBXSA-N 0 0 244.400 3.642 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)CCCSC)C1 ZINC000737339065 585030455 /nfs/dbraw/zinc/03/04/55/585030455.db2.gz HKJLTJPDGCBLSC-VXGBXAGGSA-N 0 0 244.400 3.642 20 0 BHADRN CCC/C=C\C(=O)O[C@H](C)c1cccc(C)c1 ZINC000737339730 585030561 /nfs/dbraw/zinc/03/05/61/585030561.db2.gz WJYALSZAAAMLQD-AGEOTTOMSA-N 0 0 232.323 3.956 20 0 BHADRN CCC/C=C/C(=O)O[C@H](C)c1cccc(C)c1 ZINC000737339731 585030427 /nfs/dbraw/zinc/03/04/27/585030427.db2.gz WJYALSZAAAMLQD-BCRSCGJKSA-N 0 0 232.323 3.956 20 0 BHADRN CCC/C=C\C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000737339732 585030503 /nfs/dbraw/zinc/03/05/03/585030503.db2.gz WJYALSZAAAMLQD-HKBVPSITSA-N 0 0 232.323 3.956 20 0 BHADRN CCC/C=C/C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000737339733 585030546 /nfs/dbraw/zinc/03/05/46/585030546.db2.gz WJYALSZAAAMLQD-PPOCWRSBSA-N 0 0 232.323 3.956 20 0 BHADRN CCOc1ccc(S[C@@H](C)CC)cc1 ZINC000737398327 585031269 /nfs/dbraw/zinc/03/12/69/585031269.db2.gz NLEPCRGBNZNGMY-JTQLQIEISA-N 0 0 210.342 3.976 20 0 BHADRN CCOc1ccc(S[C@H](C)CC)cc1 ZINC000737398330 585031393 /nfs/dbraw/zinc/03/13/93/585031393.db2.gz NLEPCRGBNZNGMY-SNVBAGLBSA-N 0 0 210.342 3.976 20 0 BHADRN CCn1ccnc1SCc1c(C)cccc1C ZINC000737398881 585031318 /nfs/dbraw/zinc/03/13/18/585031318.db2.gz VJMPRZSEMQACBB-UHFFFAOYSA-N 0 0 246.379 3.812 20 0 BHADRN C[C@@H](SCc1ccno1)c1cccs1 ZINC000737403293 585031387 /nfs/dbraw/zinc/03/13/87/585031387.db2.gz YINNNIAKYNYDRF-MRVPVSSYSA-N 0 0 225.338 3.731 20 0 BHADRN C[C@H](SCc1ccno1)c1cccs1 ZINC000737403296 585031403 /nfs/dbraw/zinc/03/14/03/585031403.db2.gz YINNNIAKYNYDRF-QMMMGPOBSA-N 0 0 225.338 3.731 20 0 BHADRN C[C@H](SCC1CCOCC1)c1cccs1 ZINC000737403529 585031486 /nfs/dbraw/zinc/03/14/86/585031486.db2.gz DLCFLJLUJKQVJE-JTQLQIEISA-N 0 0 242.409 3.969 20 0 BHADRN C[C@@H](SCC1CCOCC1)c1cccs1 ZINC000737403530 585031517 /nfs/dbraw/zinc/03/15/17/585031517.db2.gz DLCFLJLUJKQVJE-SNVBAGLBSA-N 0 0 242.409 3.969 20 0 BHADRN C[C@@H](SC[C@@H]1CCOC1)c1cccs1 ZINC000737403738 585031493 /nfs/dbraw/zinc/03/14/93/585031493.db2.gz IGFUBQMIFXYVQJ-NXEZZACHSA-N 0 0 228.382 3.579 20 0 BHADRN C[C@H](SC[C@H]1CCOC1)c1cccs1 ZINC000737403739 585031414 /nfs/dbraw/zinc/03/14/14/585031414.db2.gz IGFUBQMIFXYVQJ-UWVGGRQHSA-N 0 0 228.382 3.579 20 0 BHADRN C[C@H](SC[C@@H]1CCOC1)c1cccs1 ZINC000737403740 585031381 /nfs/dbraw/zinc/03/13/81/585031381.db2.gz IGFUBQMIFXYVQJ-VHSXEESVSA-N 0 0 228.382 3.579 20 0 BHADRN C[C@@H](SC[C@H]1CCOC1)c1cccs1 ZINC000737403741 585031424 /nfs/dbraw/zinc/03/14/24/585031424.db2.gz IGFUBQMIFXYVQJ-ZJUUUORDSA-N 0 0 228.382 3.579 20 0 BHADRN C[C@@H](SC[C@H]1CCCO1)c1cccs1 ZINC000737405102 585031559 /nfs/dbraw/zinc/03/15/59/585031559.db2.gz ZBGYFUSSIYCERD-NXEZZACHSA-N 0 0 228.382 3.721 20 0 BHADRN C[C@H](SC[C@@H]1CCCO1)c1cccs1 ZINC000737405105 585031533 /nfs/dbraw/zinc/03/15/33/585031533.db2.gz ZBGYFUSSIYCERD-UWVGGRQHSA-N 0 0 228.382 3.721 20 0 BHADRN C[C@H](SC[C@H]1CCCO1)c1cccs1 ZINC000737405107 585031720 /nfs/dbraw/zinc/03/17/20/585031720.db2.gz ZBGYFUSSIYCERD-VHSXEESVSA-N 0 0 228.382 3.721 20 0 BHADRN C[C@@H](SC[C@@H]1CCCO1)c1cccs1 ZINC000737405109 585031699 /nfs/dbraw/zinc/03/16/99/585031699.db2.gz ZBGYFUSSIYCERD-ZJUUUORDSA-N 0 0 228.382 3.721 20 0 BHADRN Cc1cc(S[C@H](C)c2cccs2)ncn1 ZINC000737423735 585031883 /nfs/dbraw/zinc/03/18/83/585031883.db2.gz ARCVPFDBTSPTGO-SECBINFHSA-N 0 0 236.365 3.700 20 0 BHADRN Cc1cc(S[C@@H](C)c2cccs2)ncn1 ZINC000737423737 585031991 /nfs/dbraw/zinc/03/19/91/585031991.db2.gz ARCVPFDBTSPTGO-VIFPVBQESA-N 0 0 236.365 3.700 20 0 BHADRN CCN(C(=S)Nc1ccccc1C)C1CCC1 ZINC000737447825 585032733 /nfs/dbraw/zinc/03/27/33/585032733.db2.gz GFFFHBFUWZZDOX-UHFFFAOYSA-N 0 0 248.395 3.566 20 0 BHADRN CCN(C(=S)Nc1ccc(C)cc1)C1CCC1 ZINC000737448457 585032701 /nfs/dbraw/zinc/03/27/01/585032701.db2.gz HMZQNOPTSPWGSC-UHFFFAOYSA-N 0 0 248.395 3.566 20 0 BHADRN CCN(C(=S)Nc1cccc(C)c1)C1CCC1 ZINC000737449169 585032602 /nfs/dbraw/zinc/03/26/02/585032602.db2.gz NWFKPQDPJUEFEW-UHFFFAOYSA-N 0 0 248.395 3.566 20 0 BHADRN Cc1cccc(OC(=O)CCC(C)(C)C)c1 ZINC000737464994 585033030 /nfs/dbraw/zinc/03/30/30/585033030.db2.gz AXIAOVFROGNMNW-UHFFFAOYSA-N 0 0 220.312 3.727 20 0 BHADRN Cc1ccccc1OC(=O)CCC(C)(C)C ZINC000737465100 585033137 /nfs/dbraw/zinc/03/31/37/585033137.db2.gz DKGIRYXUNXHPHK-UHFFFAOYSA-N 0 0 220.312 3.727 20 0 BHADRN CC(C)(C)CCC(=O)OC[C@@H]1CC=CCC1 ZINC000737465201 585032997 /nfs/dbraw/zinc/03/29/97/585032997.db2.gz JAGITCRXORTQDQ-GFCCVEGCSA-N 0 0 224.344 3.712 20 0 BHADRN CC(C)(C)CCC(=O)OC[C@H]1CC=CCC1 ZINC000737465202 585032988 /nfs/dbraw/zinc/03/29/88/585032988.db2.gz JAGITCRXORTQDQ-LBPRGKRZSA-N 0 0 224.344 3.712 20 0 BHADRN CC(C)(C)CCC(=O)Oc1ccc(F)cc1 ZINC000737465381 585032942 /nfs/dbraw/zinc/03/29/42/585032942.db2.gz PTIAQHXHSSUMRA-UHFFFAOYSA-N 0 0 224.275 3.557 20 0 BHADRN CC(C)(C)CCC(=O)Oc1cccc(F)c1 ZINC000737465430 585033148 /nfs/dbraw/zinc/03/31/48/585033148.db2.gz 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CCc1ccc(OC(=O)CCC(C)(C)C)cc1 ZINC000737468458 585033114 /nfs/dbraw/zinc/03/31/14/585033114.db2.gz BWZSAWSKMCSTII-UHFFFAOYSA-N 0 0 234.339 3.981 20 0 BHADRN CC(C)(C)CCC(=O)Oc1ccc2c(c1)CCC2 ZINC000737469334 585032945 /nfs/dbraw/zinc/03/29/45/585032945.db2.gz KIGREOMJJNSGEP-UHFFFAOYSA-N 0 0 246.350 3.907 20 0 BHADRN CC/C=C(\C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000737478426 585033253 /nfs/dbraw/zinc/03/32/53/585033253.db2.gz LQQACPBERBSJHU-BWODNOAJSA-N 0 0 243.350 3.711 20 0 BHADRN CC/C=C(/C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000737478429 585033611 /nfs/dbraw/zinc/03/36/11/585033611.db2.gz LQQACPBERBSJHU-FFXRNRBCSA-N 0 0 243.350 3.711 20 0 BHADRN CC/C=C(/C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000737478432 585033436 /nfs/dbraw/zinc/03/34/36/585033436.db2.gz LQQACPBERBSJHU-OTAKNEKHSA-N 0 0 243.350 3.711 20 0 BHADRN CC/C=C(\C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000737478434 585033312 /nfs/dbraw/zinc/03/33/12/585033312.db2.gz LQQACPBERBSJHU-WHGQRRHOSA-N 0 0 243.350 3.711 20 0 BHADRN CC(C)(C)CCC(=O)Oc1cc(F)cc(F)c1 ZINC000737529114 585035200 /nfs/dbraw/zinc/03/52/00/585035200.db2.gz CSFKXKAMCOIJJB-UHFFFAOYSA-N 0 0 242.265 3.697 20 0 BHADRN CC(C)(C)CCC(=O)Oc1cccc(F)c1F ZINC000737543668 585035525 /nfs/dbraw/zinc/03/55/25/585035525.db2.gz WTWZWZSVCLBVHZ-UHFFFAOYSA-N 0 0 242.265 3.697 20 0 BHADRN C[C@H](CNC(=O)CCC(C)(C)C)C(C)(C)C ZINC000737569060 585036363 /nfs/dbraw/zinc/03/63/63/585036363.db2.gz HMRCEKBTGJONIH-LLVKDONJSA-N 0 0 227.392 3.611 20 0 BHADRN C[C@@H](CNC(=O)CCC(C)(C)C)C(C)(C)C ZINC000737569061 585036236 /nfs/dbraw/zinc/03/62/36/585036236.db2.gz HMRCEKBTGJONIH-NSHDSACASA-N 0 0 227.392 3.611 20 0 BHADRN CC/C=C(\C)C(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000737590130 585036845 /nfs/dbraw/zinc/03/68/45/585036845.db2.gz OCDDRXSGVNAQMQ-LACBQNOSSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000737590132 585036974 /nfs/dbraw/zinc/03/69/74/585036974.db2.gz OCDDRXSGVNAQMQ-OIZKETEYSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(\C)C(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000737590134 585036915 /nfs/dbraw/zinc/03/69/15/585036915.db2.gz OCDDRXSGVNAQMQ-QGBLLJAOSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000737590137 585036996 /nfs/dbraw/zinc/03/69/96/585036996.db2.gz OCDDRXSGVNAQMQ-XWJOTYRJSA-N 0 0 237.387 3.770 20 0 BHADRN CCN(C(=O)C=C1CCC(C)CC1)C1CCC1 ZINC000737590275 585036951 /nfs/dbraw/zinc/03/69/51/585036951.db2.gz ORGVIJQOOGTNCM-UHFFFAOYSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC000737590934 585036843 /nfs/dbraw/zinc/03/68/43/585036843.db2.gz PVRLRHNCYXTJIX-AYTLTXPASA-N 0 0 249.398 3.770 20 0 BHADRN CC[C@H](C)[C@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC000737590955 585036992 /nfs/dbraw/zinc/03/69/92/585036992.db2.gz PVRLRHNCYXTJIX-GZZWPOOQSA-N 0 0 249.398 3.770 20 0 BHADRN CC[C@H](C)[C@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC000737590959 585037003 /nfs/dbraw/zinc/03/70/03/585037003.db2.gz PVRLRHNCYXTJIX-NVXNZCMISA-N 0 0 249.398 3.770 20 0 BHADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC000737590962 585037001 /nfs/dbraw/zinc/03/70/01/585037001.db2.gz PVRLRHNCYXTJIX-UZJPTUNOSA-N 0 0 249.398 3.770 20 0 BHADRN CCN(C(=O)/C=C\C1CCCCC1)C1CCC1 ZINC000737591038 585036817 /nfs/dbraw/zinc/03/68/17/585036817.db2.gz RCIBAHXYXXQGED-QXMHVHEDSA-N 0 0 235.371 3.524 20 0 BHADRN CCN(C(=O)/C=C/C1CCCCC1)C1CCC1 ZINC000737591040 585036919 /nfs/dbraw/zinc/03/69/19/585036919.db2.gz RCIBAHXYXXQGED-VAWYXSNFSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C/C=C\C(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000737592696 585036849 /nfs/dbraw/zinc/03/68/49/585036849.db2.gz YXVPVMCHOIZRBH-FBYIRONHSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000737592697 585036946 /nfs/dbraw/zinc/03/69/46/585036946.db2.gz YXVPVMCHOIZRBH-HRHORMLBSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000737592699 585036981 /nfs/dbraw/zinc/03/69/81/585036981.db2.gz YXVPVMCHOIZRBH-MJZLKPQSSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000737592700 585036933 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PKVHVTXCYHIHEC-DAXSKMNVSA-N 0 0 235.371 3.526 20 0 BHADRN CCC/C=C/C(=O)N1CCC2(CCCC2)CC1 ZINC000737989341 585039639 /nfs/dbraw/zinc/03/96/39/585039639.db2.gz PKVHVTXCYHIHEC-QPJJXVBHSA-N 0 0 235.371 3.526 20 0 BHADRN C[C@H](CC(=O)N1CCC2(CCCC2)CC1)C1CC1 ZINC000737989598 585040003 /nfs/dbraw/zinc/04/00/03/585040003.db2.gz SMRRUMWWVIRIDW-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H](CC(=O)N1CCC2(CCCC2)CC1)C1CC1 ZINC000737989599 585039931 /nfs/dbraw/zinc/03/99/31/585039931.db2.gz SMRRUMWWVIRIDW-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN Cc1cccc(C)c1CON=C(N)CCC(C)C ZINC000738287965 585042331 /nfs/dbraw/zinc/04/23/31/585042331.db2.gz ARHHOZLEESFNSI-UHFFFAOYSA-N 0 0 248.370 3.738 20 0 BHADRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000738392472 585044730 /nfs/dbraw/zinc/04/47/30/585044730.db2.gz JTYPNVJCWUHLFF-NEPJUHHUSA-N 0 0 241.375 3.822 20 0 BHADRN CC[C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000738392473 585044703 /nfs/dbraw/zinc/04/47/03/585044703.db2.gz JTYPNVJCWUHLFF-NWDGAFQWSA-N 0 0 241.375 3.822 20 0 BHADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000738392474 585044801 /nfs/dbraw/zinc/04/48/01/585044801.db2.gz JTYPNVJCWUHLFF-RYUDHWBXSA-N 0 0 241.375 3.822 20 0 BHADRN CC[C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000738392475 585044704 /nfs/dbraw/zinc/04/47/04/585044704.db2.gz JTYPNVJCWUHLFF-VXGBXAGGSA-N 0 0 241.375 3.822 20 0 BHADRN CC[C@@H](C)OC(=O)c1oc2ccccc2c1C ZINC000738565678 585047383 /nfs/dbraw/zinc/04/73/83/585047383.db2.gz IITRSGBRVVSWGB-SECBINFHSA-N 0 0 232.279 3.697 20 0 BHADRN CC[C@H](C)OC(=O)c1oc2ccccc2c1C ZINC000738565680 585047364 /nfs/dbraw/zinc/04/73/64/585047364.db2.gz IITRSGBRVVSWGB-VIFPVBQESA-N 0 0 232.279 3.697 20 0 BHADRN Cc1ccc(C(=O)OCc2c(C)cccc2C)o1 ZINC000738567313 585047516 /nfs/dbraw/zinc/04/75/16/585047516.db2.gz DIRVCWROSHQALZ-UHFFFAOYSA-N 0 0 244.290 3.562 20 0 BHADRN CC[C@H](C)OC(=O)[C@@H](CC)c1ccccc1 ZINC000738568774 585047402 /nfs/dbraw/zinc/04/74/02/585047402.db2.gz PEDXOGFXKNBXPA-AAEUAGOBSA-N 0 0 220.312 3.522 20 0 BHADRN CC[C@@H](C)OC(=O)[C@H](CC)c1ccccc1 ZINC000738568939 585047566 /nfs/dbraw/zinc/04/75/66/585047566.db2.gz PEDXOGFXKNBXPA-DGCLKSJQSA-N 0 0 220.312 3.522 20 0 BHADRN CC[C@@H](C(=O)O[C@@H](C)CC)c1ccccc1 ZINC000738568941 585047523 /nfs/dbraw/zinc/04/75/23/585047523.db2.gz PEDXOGFXKNBXPA-WCQYABFASA-N 0 0 220.312 3.522 20 0 BHADRN CC[C@@H](C)OC(=O)[C@@H](CC)c1ccccc1 ZINC000738568942 585047429 /nfs/dbraw/zinc/04/74/29/585047429.db2.gz PEDXOGFXKNBXPA-YPMHNXCESA-N 0 0 220.312 3.522 20 0 BHADRN CC[C@H](C)OC(=O)c1c(Cl)cccc1Cl ZINC000738572194 636607089 /nfs/dbraw/zinc/60/70/89/636607089.db2.gz AAJNKRARUIIQQV-ZETCQYMHSA-N 0 0 247.121 3.949 20 0 BHADRN CCCCC(=O)OCc1c(C)cccc1C ZINC000738572516 585047403 /nfs/dbraw/zinc/04/74/03/585047403.db2.gz FCKFLFWYJAYJDO-UHFFFAOYSA-N 0 0 220.312 3.537 20 0 BHADRN Cc1cccc(C)c1COC(=O)CC1CCCC1 ZINC000738572645 585047517 /nfs/dbraw/zinc/04/75/17/585047517.db2.gz GCOISHKPXHMILM-UHFFFAOYSA-N 0 0 246.350 3.927 20 0 BHADRN Cc1cccc(C)c1COC(=O)c1cccs1 ZINC000738574302 583959799 /nfs/dbraw/zinc/95/97/99/583959799.db2.gz OOUDRIZCTDHGMT-UHFFFAOYSA-N 0 0 246.331 3.722 20 0 BHADRN Cc1cccc(C)c1COC(=O)C1CCCC1 ZINC000738575384 585047386 /nfs/dbraw/zinc/04/73/86/585047386.db2.gz XLFCPLQVVWDLDR-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN CC[C@@H](C)OC(=O)c1cccc(Cl)c1Cl ZINC000738575738 583960400 /nfs/dbraw/zinc/96/04/00/583960400.db2.gz ZZTCJFPALVDHEP-SSDOTTSWSA-N 0 0 247.121 3.949 20 0 BHADRN CC[C@H](C)OC(=O)c1cccc(Cl)c1Cl ZINC000738575740 583960595 /nfs/dbraw/zinc/96/05/95/583960595.db2.gz ZZTCJFPALVDHEP-ZETCQYMHSA-N 0 0 247.121 3.949 20 0 BHADRN Cc1cccc(C)c1COC(=O)C1(C)CCCC1 ZINC000738581673 585047708 /nfs/dbraw/zinc/04/77/08/585047708.db2.gz PNXSDAQTXBQNKD-UHFFFAOYSA-N 0 0 246.350 3.927 20 0 BHADRN Cc1cccc(C)c1COC(=O)[C@H]1CC=CCC1 ZINC000738582360 585047574 /nfs/dbraw/zinc/04/75/74/585047574.db2.gz RMBFSIRBGPIIDG-AWEZNQCLSA-N 0 0 244.334 3.703 20 0 BHADRN Cc1cccc(C)c1COC(=O)[C@@H]1CC=CCC1 ZINC000738582361 585047731 /nfs/dbraw/zinc/04/77/31/585047731.db2.gz 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3.758 20 0 BHADRN Cc1cccc(C)c1COC(=O)CCC(C)C ZINC000738586648 585047886 /nfs/dbraw/zinc/04/78/86/585047886.db2.gz HHOQOFOGZHHLMK-UHFFFAOYSA-N 0 0 234.339 3.783 20 0 BHADRN CC/C=C(\C)C(=O)OCc1c(C)cccc1C ZINC000738587970 585047947 /nfs/dbraw/zinc/04/79/47/585047947.db2.gz QZDPWPATNXJOAY-NTUHNPAUSA-N 0 0 232.323 3.703 20 0 BHADRN CC/C=C(/C)C(=O)OCc1c(C)cccc1C ZINC000738587971 585047810 /nfs/dbraw/zinc/04/78/10/585047810.db2.gz QZDPWPATNXJOAY-QPEQYQDCSA-N 0 0 232.323 3.703 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc2ccccc2c1O ZINC000738588724 585047817 /nfs/dbraw/zinc/04/78/17/585047817.db2.gz WDJZUPXEXXQILS-JTQLQIEISA-N 0 0 244.290 3.501 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc2ccccc2c1O ZINC000738588727 585047935 /nfs/dbraw/zinc/04/79/35/585047935.db2.gz WDJZUPXEXXQILS-SNVBAGLBSA-N 0 0 244.290 3.501 20 0 BHADRN CC[C@@H](C)OC(=O)C1(c2ccccc2)CCCC1 ZINC000738590340 585047996 /nfs/dbraw/zinc/04/79/96/585047996.db2.gz GZQLEWQNYRDZPU-CYBMUJFWSA-N 0 0 246.350 3.840 20 0 BHADRN CC[C@H](C)OC(=O)C1(c2ccccc2)CCCC1 ZINC000738590341 585048044 /nfs/dbraw/zinc/04/80/44/585048044.db2.gz GZQLEWQNYRDZPU-ZDUSSCGKSA-N 0 0 246.350 3.840 20 0 BHADRN Cc1occc1C(=O)OCc1c(C)cccc1C ZINC000738593515 585048349 /nfs/dbraw/zinc/04/83/49/585048349.db2.gz PRSQJVAGWXVAAJ-UHFFFAOYSA-N 0 0 244.290 3.562 20 0 BHADRN CCC[C@@H](C(=O)O[C@@H](C)CC)c1ccccc1 ZINC000738595320 585048299 /nfs/dbraw/zinc/04/82/99/585048299.db2.gz OQJGKBHKCDLGEC-GXTWGEPZSA-N 0 0 234.339 3.912 20 0 BHADRN CCC[C@H](C(=O)O[C@@H](C)CC)c1ccccc1 ZINC000738595321 585048338 /nfs/dbraw/zinc/04/83/38/585048338.db2.gz OQJGKBHKCDLGEC-JSGCOSHPSA-N 0 0 234.339 3.912 20 0 BHADRN CCC[C@H](C(=O)O[C@H](C)CC)c1ccccc1 ZINC000738595322 585048228 /nfs/dbraw/zinc/04/82/28/585048228.db2.gz OQJGKBHKCDLGEC-OCCSQVGLSA-N 0 0 234.339 3.912 20 0 BHADRN CCC[C@@H](C(=O)O[C@H](C)CC)c1ccccc1 ZINC000738595323 585048210 /nfs/dbraw/zinc/04/82/10/585048210.db2.gz OQJGKBHKCDLGEC-TZMCWYRMSA-N 0 0 234.339 3.912 20 0 BHADRN CC[C@H](C)OC(=O)c1cc(F)c(F)cc1Cl ZINC000738599620 585048410 /nfs/dbraw/zinc/04/84/10/585048410.db2.gz BPHVOQIEEBJPKY-LURJTMIESA-N 0 0 248.656 3.574 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc(F)c(F)cc1Cl ZINC000738599621 585048533 /nfs/dbraw/zinc/04/85/33/585048533.db2.gz BPHVOQIEEBJPKY-ZCFIWIBFSA-N 0 0 248.656 3.574 20 0 BHADRN CC[C@H](C)OC(=O)c1cc2ccccc2cc1O ZINC000738600842 585028285 /nfs/dbraw/zinc/02/82/85/585028285.db2.gz LFARTLGLQRDOJP-JTQLQIEISA-N 0 0 244.290 3.501 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc2ccccc2cc1O ZINC000738600846 585028284 /nfs/dbraw/zinc/02/82/84/585028284.db2.gz LFARTLGLQRDOJP-SNVBAGLBSA-N 0 0 244.290 3.501 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc2cc(O)ccc2c1 ZINC000738601520 585048606 /nfs/dbraw/zinc/04/86/06/585048606.db2.gz NGBUBAIQHRQEQZ-JTQLQIEISA-N 0 0 244.290 3.501 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc2cc(O)ccc2c1 ZINC000738601522 585048657 /nfs/dbraw/zinc/04/86/57/585048657.db2.gz NGBUBAIQHRQEQZ-SNVBAGLBSA-N 0 0 244.290 3.501 20 0 BHADRN CCSc1ccccc1C(=O)O[C@@H](C)CC ZINC000738602402 585048656 /nfs/dbraw/zinc/04/86/56/585048656.db2.gz RFLMOAYQGMEWRK-JTQLQIEISA-N 0 0 238.352 3.754 20 0 BHADRN CCSc1ccccc1C(=O)O[C@H](C)CC ZINC000738602404 585048596 /nfs/dbraw/zinc/04/85/96/585048596.db2.gz RFLMOAYQGMEWRK-SNVBAGLBSA-N 0 0 238.352 3.754 20 0 BHADRN CC[C@@H](C)OC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000738605168 585048750 /nfs/dbraw/zinc/04/87/50/585048750.db2.gz FXSZZRBKIYXAQX-SECBINFHSA-N 0 0 245.322 3.740 20 0 BHADRN CC[C@H](C)OC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000738605170 585048738 /nfs/dbraw/zinc/04/87/38/585048738.db2.gz FXSZZRBKIYXAQX-VIFPVBQESA-N 0 0 245.322 3.740 20 0 BHADRN CC[C@@H](C)OC(=O)c1c[nH]cc1-c1ccccc1 ZINC000738613164 585048786 /nfs/dbraw/zinc/04/87/86/585048786.db2.gz URKVYHXWRRPAGH-LLVKDONJSA-N 0 0 243.306 3.637 20 0 BHADRN CC[C@H](C)OC(=O)c1c[nH]cc1-c1ccccc1 ZINC000738613165 585048912 /nfs/dbraw/zinc/04/89/12/585048912.db2.gz URKVYHXWRRPAGH-NSHDSACASA-N 0 0 243.306 3.637 20 0 BHADRN CCC[C@@H](C)C(=O)OCc1c(C)cccc1C ZINC000738617696 585049185 /nfs/dbraw/zinc/04/91/85/585049185.db2.gz 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244.334 3.703 20 0 BHADRN CC[C@@H](C)OC(=O)c1sccc1C(C)C ZINC000738626174 585049312 /nfs/dbraw/zinc/04/93/12/585049312.db2.gz ATSHBAAUDMYHSP-SECBINFHSA-N 0 0 226.341 3.827 20 0 BHADRN CC[C@H](C)OC(=O)c1sccc1C(C)C ZINC000738626179 585049207 /nfs/dbraw/zinc/04/92/07/585049207.db2.gz ATSHBAAUDMYHSP-VIFPVBQESA-N 0 0 226.341 3.827 20 0 BHADRN Cc1cccc(C)c1COC(=O)C[C@@H](C)C1CC1 ZINC000738634457 585049369 /nfs/dbraw/zinc/04/93/69/585049369.db2.gz CFZBYERCSGKZKP-CYBMUJFWSA-N 0 0 246.350 3.783 20 0 BHADRN Cc1cccc(C)c1COC(=O)C[C@H](C)C1CC1 ZINC000738634458 585049365 /nfs/dbraw/zinc/04/93/65/585049365.db2.gz CFZBYERCSGKZKP-ZDUSSCGKSA-N 0 0 246.350 3.783 20 0 BHADRN CC[C@@H](C)OC(=O)C(C)(C)c1ccccc1C ZINC000738635856 585049205 /nfs/dbraw/zinc/04/92/05/585049205.db2.gz KTJGWGRATODWOT-GFCCVEGCSA-N 0 0 234.339 3.614 20 0 BHADRN CC[C@H](C)OC(=O)C(C)(C)c1ccccc1C ZINC000738635859 585049287 /nfs/dbraw/zinc/04/92/87/585049287.db2.gz KTJGWGRATODWOT-LBPRGKRZSA-N 0 0 234.339 3.614 20 0 BHADRN CC[C@H](C)OC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000738641098 585049404 /nfs/dbraw/zinc/04/94/04/585049404.db2.gz MHWCCYUXDMHFHH-GRYCIOLGSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H](C)OC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000738641106 585049509 /nfs/dbraw/zinc/04/95/09/585049509.db2.gz MHWCCYUXDMHFHH-SDDRHHMPSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000738641110 585049400 /nfs/dbraw/zinc/04/94/00/585049400.db2.gz MHWCCYUXDMHFHH-SRVKXCTJSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H](C)OC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000738641113 585049525 /nfs/dbraw/zinc/04/95/25/585049525.db2.gz MHWCCYUXDMHFHH-WOPDTQHZSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H](C)OC(=O)C(C)(C)c1ccc(C)cc1 ZINC000738642572 584913221 /nfs/dbraw/zinc/91/32/21/584913221.db2.gz HPRXJEJHNRRPOU-GFCCVEGCSA-N 0 0 234.339 3.614 20 0 BHADRN CC[C@H](C)OC(=O)C(C)(C)c1ccc(C)cc1 ZINC000738642573 584913150 /nfs/dbraw/zinc/91/31/50/584913150.db2.gz HPRXJEJHNRRPOU-LBPRGKRZSA-N 0 0 234.339 3.614 20 0 BHADRN CCC(C)(C)C(=O)OCc1c(C)cccc1C ZINC000738644455 585049639 /nfs/dbraw/zinc/04/96/39/585049639.db2.gz FZXCVWWDZHAVTN-UHFFFAOYSA-N 0 0 234.339 3.783 20 0 BHADRN Cc1cccc(C)c1COC(=O)[C@H](C)C(C)C ZINC000738654129 584916738 /nfs/dbraw/zinc/91/67/38/584916738.db2.gz DIFUFZBXKFIXST-CYBMUJFWSA-N 0 0 234.339 3.639 20 0 BHADRN Cc1cccc(C)c1COC(=O)[C@@H](C)C(C)C ZINC000738654141 584916751 /nfs/dbraw/zinc/91/67/51/584916751.db2.gz DIFUFZBXKFIXST-ZDUSSCGKSA-N 0 0 234.339 3.639 20 0 BHADRN CC[C@H](Cc1ccccc1)C(=O)O[C@@H](C)CC ZINC000738656570 584917186 /nfs/dbraw/zinc/91/71/86/584917186.db2.gz PYGOOCXVQFLCHL-GXTWGEPZSA-N 0 0 234.339 3.597 20 0 BHADRN CC[C@H](C)OC(=O)[C@@H](CC)Cc1ccccc1 ZINC000738656571 584917321 /nfs/dbraw/zinc/91/73/21/584917321.db2.gz PYGOOCXVQFLCHL-JSGCOSHPSA-N 0 0 234.339 3.597 20 0 BHADRN CC[C@@H](C)OC(=O)[C@@H](CC)Cc1ccccc1 ZINC000738656572 584917263 /nfs/dbraw/zinc/91/72/63/584917263.db2.gz PYGOOCXVQFLCHL-OCCSQVGLSA-N 0 0 234.339 3.597 20 0 BHADRN CC[C@@H](C)OC(=O)[C@H](CC)Cc1ccccc1 ZINC000738656573 584917190 /nfs/dbraw/zinc/91/71/90/584917190.db2.gz PYGOOCXVQFLCHL-TZMCWYRMSA-N 0 0 234.339 3.597 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc2cc(F)ccc2o1 ZINC000738656928 585050210 /nfs/dbraw/zinc/05/02/10/585050210.db2.gz GCQKZHHNTUOPEF-MRVPVSSYSA-N 0 0 236.242 3.527 20 0 BHADRN CC[C@H](C)OC(=O)c1cc2cc(F)ccc2o1 ZINC000738656929 585050021 /nfs/dbraw/zinc/05/00/21/585050021.db2.gz GCQKZHHNTUOPEF-QMMMGPOBSA-N 0 0 236.242 3.527 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccccc1OC1CCC1 ZINC000738658071 585050266 /nfs/dbraw/zinc/05/02/66/585050266.db2.gz NUBQTZJYQFGRPL-LLVKDONJSA-N 0 0 248.322 3.573 20 0 BHADRN CC[C@H](C)OC(=O)c1ccccc1OC1CCC1 ZINC000738658073 585050411 /nfs/dbraw/zinc/05/04/11/585050411.db2.gz NUBQTZJYQFGRPL-NSHDSACASA-N 0 0 248.322 3.573 20 0 BHADRN CC[C@@H](C)OC(=O)C(C)(C)Cc1ccccc1 ZINC000738658187 585050375 /nfs/dbraw/zinc/05/03/75/585050375.db2.gz PYEBUDWJGGBHTC-GFCCVEGCSA-N 0 0 234.339 3.597 20 0 BHADRN CC[C@H](C)OC(=O)C(C)(C)Cc1ccccc1 ZINC000738658188 585050274 /nfs/dbraw/zinc/05/02/74/585050274.db2.gz PYEBUDWJGGBHTC-LBPRGKRZSA-N 0 0 234.339 3.597 20 0 BHADRN Cc1cccc(C)c1COC(=O)CCC1CC1 ZINC000738659186 585050285 /nfs/dbraw/zinc/05/02/85/585050285.db2.gz ZCLUKQQJDIJXJN-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN CC(C)COC(=O)CC/C=C\c1ccccc1 ZINC000738677741 584924407 /nfs/dbraw/zinc/92/44/07/584924407.db2.gz RHGDIAMDCPVMQJ-POHAHGRESA-N 0 0 232.323 3.679 20 0 BHADRN CC(C)COC(=O)CC/C=C/c1ccccc1 ZINC000738677743 584924731 /nfs/dbraw/zinc/92/47/31/584924731.db2.gz RHGDIAMDCPVMQJ-UXBLZVDNSA-N 0 0 232.323 3.679 20 0 BHADRN CCCCOC(=O)CC/C=C\c1ccccc1 ZINC000738677981 585050511 /nfs/dbraw/zinc/05/05/11/585050511.db2.gz ULLHGEBQRGPFCW-XFFZJAGNSA-N 0 0 232.323 3.823 20 0 BHADRN CCCCOC(=O)CC/C=C/c1ccccc1 ZINC000738677983 585050441 /nfs/dbraw/zinc/05/04/41/585050441.db2.gz ULLHGEBQRGPFCW-YRNVUSSQSA-N 0 0 232.323 3.823 20 0 BHADRN CC[C@H](C)OC(=O)CC/C=C/c1ccccc1 ZINC000738683823 584926194 /nfs/dbraw/zinc/92/61/94/584926194.db2.gz 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585115940 /nfs/dbraw/zinc/11/59/40/585115940.db2.gz LAGMSYIQZXJGFK-YFCVBGDOSA-N 0 0 243.350 3.625 20 0 BHADRN CC(C)(C)/C=C/C(=O)NC1CCC(C)(C)CC1 ZINC000741594187 585115774 /nfs/dbraw/zinc/11/57/74/585115774.db2.gz FQEUUTYAYLFXMC-CMDGGOBGSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)(C)/C=C\C(=O)NC1CCC(C)(C)CC1 ZINC000741594188 585115932 /nfs/dbraw/zinc/11/59/32/585115932.db2.gz FQEUUTYAYLFXMC-HJWRWDBZSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@H](CC(=O)NC1CCC(C)(C)CC1)C1CC1 ZINC000741594201 585115872 /nfs/dbraw/zinc/11/58/72/585115872.db2.gz FUFQNZLHCOQHBV-LLVKDONJSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC(=O)NC1CCC(C)(C)CC1)C1CC1 ZINC000741594203 585115981 /nfs/dbraw/zinc/11/59/81/585115981.db2.gz FUFQNZLHCOQHBV-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN CCC/C(C)=C\C(=O)NC1CCC(C)(C)CC1 ZINC000741594252 585115760 /nfs/dbraw/zinc/11/57/60/585115760.db2.gz HAYNQZPYPICNHM-QXMHVHEDSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C/C(=O)NC1CCC(C)(C)CC1 ZINC000741594253 585115897 /nfs/dbraw/zinc/11/58/97/585115897.db2.gz HAYNQZPYPICNHM-VAWYXSNFSA-N 0 0 237.387 3.818 20 0 BHADRN CC1(C)CCC(NC(=O)C=C2CCCC2)CC1 ZINC000741595552 585115826 /nfs/dbraw/zinc/11/58/26/585115826.db2.gz UZEALAKSGXHZHG-UHFFFAOYSA-N 0 0 235.371 3.572 20 0 BHADRN CC1(C)CCC(NC(=O)C=C2CCCCC2)CC1 ZINC000741595719 585115903 /nfs/dbraw/zinc/11/59/03/585115903.db2.gz ZDXRDCSYODHSAN-UHFFFAOYSA-N 0 0 249.398 3.962 20 0 BHADRN C[C@@H](NC(=O)C=C1CCCC1)C1CCCCC1 ZINC000741595958 585115910 /nfs/dbraw/zinc/11/59/10/585115910.db2.gz CYBWNWQMLZDJBZ-GFCCVEGCSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@H](NC(=O)C=C1CCCC1)C1CCCCC1 ZINC000741595959 585115811 /nfs/dbraw/zinc/11/58/11/585115811.db2.gz CYBWNWQMLZDJBZ-LBPRGKRZSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@@H](NC(=O)/C=C/C(C)(C)C)C1CCCCC1 ZINC000741596136 585115929 /nfs/dbraw/zinc/11/59/29/585115929.db2.gz GGTLFCZOGFGZEI-HCRIHEDKSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@H](NC(=O)/C=C/C(C)(C)C)C1CCCCC1 ZINC000741596137 585115935 /nfs/dbraw/zinc/11/59/35/585115935.db2.gz GGTLFCZOGFGZEI-IIANPFDCSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@@H](NC(=O)/C=C\C(C)(C)C)C1CCCCC1 ZINC000741596138 585115834 /nfs/dbraw/zinc/11/58/34/585115834.db2.gz GGTLFCZOGFGZEI-NLYDNYMLSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@H](NC(=O)/C=C\C(C)(C)C)C1CCCCC1 ZINC000741596139 585115851 /nfs/dbraw/zinc/11/58/51/585115851.db2.gz GGTLFCZOGFGZEI-WEHUKYGOSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H](C)C1CCCCC1 ZINC000741597013 585115752 /nfs/dbraw/zinc/11/57/52/585115752.db2.gz RBEIPAZJAKGYJX-HHQWOOOKSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@H](C)C1CCCCC1 ZINC000741597014 585115874 /nfs/dbraw/zinc/11/58/74/585115874.db2.gz RBEIPAZJAKGYJX-XZHRJIJLSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@H](C)C1CCCCC1 ZINC000741597016 585115825 /nfs/dbraw/zinc/11/58/25/585115825.db2.gz RBEIPAZJAKGYJX-YLGBQOPLSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H](C)C1CCCCC1 ZINC000741597017 585115899 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/nfs/dbraw/zinc/11/60/18/585116018.db2.gz LHRIZPDUBQQAAJ-XMNZZIDVSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000741610593 585116026 /nfs/dbraw/zinc/11/60/26/585116026.db2.gz LHRIZPDUBQQAAJ-XQPOUDKPSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCCCC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000741610750 585116150 /nfs/dbraw/zinc/11/61/50/585116150.db2.gz MNWPHDXRULSGBV-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCCC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000741610755 585116022 /nfs/dbraw/zinc/11/60/22/585116022.db2.gz MNWPHDXRULSGBV-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCCC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000741610759 585116036 /nfs/dbraw/zinc/11/60/36/585116036.db2.gz MNWPHDXRULSGBV-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCCC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000741610762 585115993 /nfs/dbraw/zinc/11/59/93/585115993.db2.gz MNWPHDXRULSGBV-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N(C(=O)C=C2CCCC2)C1 ZINC000741612225 585116023 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585115913 /nfs/dbraw/zinc/11/59/13/585115913.db2.gz RFZWZWNRUHKXAP-GBYBRZQVSA-N 0 0 237.387 3.626 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N(C(=O)/C=C/C(C)(C)C)C1 ZINC000741614087 585115816 /nfs/dbraw/zinc/11/58/16/585115816.db2.gz RFZWZWNRUHKXAP-WGVUZWOWSA-N 0 0 237.387 3.626 20 0 BHADRN C[C@H]1CCC[C@H](C)N(C(=O)C=C2CCCCC2)C1 ZINC000741614464 585116072 /nfs/dbraw/zinc/11/60/72/585116072.db2.gz UEFWLKPZSYKDGG-KBPBESRZSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@@H]1CCC[C@H](C)N(C(=O)C=C2CCCCC2)C1 ZINC000741614465 585116107 /nfs/dbraw/zinc/11/61/07/585116107.db2.gz UEFWLKPZSYKDGG-KGLIPLIRSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@@H]1CCC[C@H](C)CN1C(=O)C=C1CCCCC1 ZINC000741614466 585116100 /nfs/dbraw/zinc/11/61/00/585116100.db2.gz UEFWLKPZSYKDGG-UONOGXRCSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N(C(=O)C=C2CCCCC2)C1 ZINC000741614467 585116101 /nfs/dbraw/zinc/11/61/01/585116101.db2.gz UEFWLKPZSYKDGG-ZIAGYGMSSA-N 0 0 249.398 3.914 20 0 BHADRN CCC(CC)(CC)NC(=O)/C=C/c1ccccc1 ZINC000741614981 585116214 /nfs/dbraw/zinc/11/62/14/585116214.db2.gz BDOMDYWFGULNMB-OUKQBFOZSA-N 0 0 245.366 3.785 20 0 BHADRN CCC(CC)(CC)NC(=O)/C=C\c1ccccc1 ZINC000741614982 585116113 /nfs/dbraw/zinc/11/61/13/585116113.db2.gz BDOMDYWFGULNMB-SEYXRHQNSA-N 0 0 245.366 3.785 20 0 BHADRN CCC(CC)(CC)NC(=O)C=C1CCCC1 ZINC000741614992 585116093 /nfs/dbraw/zinc/11/60/93/585116093.db2.gz BLLGZIIYJXDLTI-UHFFFAOYSA-N 0 0 223.360 3.572 20 0 BHADRN CCCCSCC(=O)NC(CC)(CC)CC ZINC000741615047 585116066 /nfs/dbraw/zinc/11/60/66/585116066.db2.gz DQRXCQLVXJJEFG-UHFFFAOYSA-N 0 0 245.432 3.605 20 0 BHADRN CCC(CC)(CC)NC(=O)/C=C\C(C)(C)C ZINC000741616693 585116033 /nfs/dbraw/zinc/11/60/33/585116033.db2.gz HDGRYGVGHMMJJC-KHPPLWFESA-N 0 0 225.376 3.674 20 0 BHADRN CCC(CC)(CC)NC(=O)/C=C/C(C)(C)C ZINC000741616697 585116110 /nfs/dbraw/zinc/11/61/10/585116110.db2.gz HDGRYGVGHMMJJC-ZHACJKMWSA-N 0 0 225.376 3.674 20 0 BHADRN CCC(CC)(CC)NC(=O)C[C@@H](C)C1CC1 ZINC000741616865 585116128 /nfs/dbraw/zinc/11/61/28/585116128.db2.gz 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BHADRN CCC/C(C)=C\C(=O)N1CCCC(C)(C)CC1 ZINC000741641244 585116429 /nfs/dbraw/zinc/11/64/29/585116429.db2.gz HABAABNDUDIROI-SEYXRHQNSA-N 0 0 237.387 3.772 20 0 BHADRN CC1(C)CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000741641873 585116405 /nfs/dbraw/zinc/11/64/05/585116405.db2.gz NIRRXUBWCFIRSN-UHFFFAOYSA-N 0 0 249.398 3.916 20 0 BHADRN CC(C)(C)/C=C\C(=O)N1CCCC(C)(C)CC1 ZINC000741641927 585116414 /nfs/dbraw/zinc/11/64/14/585116414.db2.gz PKIOOECVTYZPKT-CLFYSBASSA-N 0 0 237.387 3.627 20 0 BHADRN CC(C)(C)/C=C/C(=O)N1CCCC(C)(C)CC1 ZINC000741641928 585116271 /nfs/dbraw/zinc/11/62/71/585116271.db2.gz PKIOOECVTYZPKT-VQHVLOKHSA-N 0 0 237.387 3.627 20 0 BHADRN CC1(C)CCCN(C(=O)C=C2CCCC2)CC1 ZINC000741642089 585116385 /nfs/dbraw/zinc/11/63/85/585116385.db2.gz UVOPUIWUGSGVAZ-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCCCCCC(=O)N1CCCC(C)(C)CC1 ZINC000741642589 585116408 /nfs/dbraw/zinc/11/64/08/585116408.db2.gz PLTDBQCBZRVTKL-UHFFFAOYSA-N 0 0 239.403 3.996 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1C[C@H]1C1CCCCC1)C1CC1 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CC(C)(C)/C=C/C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000741656808 585116486 /nfs/dbraw/zinc/11/64/86/585116486.db2.gz RYSUCVFLKKCMMH-NPUYYSGSSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)(C)/C=C\C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000741656809 585116373 /nfs/dbraw/zinc/11/63/73/585116373.db2.gz RYSUCVFLKKCMMH-UCFRMXPJSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)(C)/C=C/C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000741656810 585116276 /nfs/dbraw/zinc/11/62/76/585116276.db2.gz RYSUCVFLKKCMMH-XACNLCELSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)(C)/C=C\C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000741656811 585116443 /nfs/dbraw/zinc/11/64/43/585116443.db2.gz RYSUCVFLKKCMMH-YWOVDUEISA-N 0 0 249.398 3.674 20 0 BHADRN CC[C@H]1CCCN1C(=O)C1CCCCCCC1 ZINC000741683041 585116669 /nfs/dbraw/zinc/11/66/69/585116669.db2.gz NAROLAQDEKZUIB-AWEZNQCLSA-N 0 0 237.387 3.748 20 0 BHADRN CC[C@@H]1CCCN1C(=O)C1CCCCCCC1 ZINC000741683043 585116726 /nfs/dbraw/zinc/11/67/26/585116726.db2.gz NAROLAQDEKZUIB-CQSZACIVSA-N 0 0 237.387 3.748 20 0 BHADRN CC1(C)C[C@@H]1CNC(=O)C1CCCCCCC1 ZINC000741691292 585116752 /nfs/dbraw/zinc/11/67/52/585116752.db2.gz RMDJONPAKOFCSD-CYBMUJFWSA-N 0 0 237.387 3.509 20 0 BHADRN CC1(C)C[C@H]1CNC(=O)C1CCCCCCC1 ZINC000741691294 585116516 /nfs/dbraw/zinc/11/65/16/585116516.db2.gz RMDJONPAKOFCSD-ZDUSSCGKSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H]1C[C@@H](C)N(C(=O)C2CCCCCCC2)C1 ZINC000741695247 585116692 /nfs/dbraw/zinc/11/66/92/585116692.db2.gz UBRFEXLWYJFQAJ-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1C[C@H](C)N(C(=O)C2CCCCCCC2)C1 ZINC000741695248 585116744 /nfs/dbraw/zinc/11/67/44/585116744.db2.gz UBRFEXLWYJFQAJ-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1C[C@H](C)CN1C(=O)C1CCCCCCC1 ZINC000741695250 585116689 /nfs/dbraw/zinc/11/66/89/585116689.db2.gz UBRFEXLWYJFQAJ-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1C[C@H](C)N(C(=O)C2CCCCCCC2)C1 ZINC000741695251 585116547 /nfs/dbraw/zinc/11/65/47/585116547.db2.gz UBRFEXLWYJFQAJ-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN C/C=C\C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000741700245 585116568 /nfs/dbraw/zinc/11/65/68/585116568.db2.gz DNAHUBXRPRKVKU-IJVDHGTGSA-N 0 0 243.350 3.543 20 0 BHADRN C/C=C/C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000741700250 585116528 /nfs/dbraw/zinc/11/65/28/585116528.db2.gz DNAHUBXRPRKVKU-NFBGWVBBSA-N 0 0 243.350 3.543 20 0 BHADRN C/C=C\C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000741700252 585116597 /nfs/dbraw/zinc/11/65/97/585116597.db2.gz DNAHUBXRPRKVKU-QZDDGCDVSA-N 0 0 243.350 3.543 20 0 BHADRN C/C=C/C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000741700253 585116529 /nfs/dbraw/zinc/11/65/29/585116529.db2.gz DNAHUBXRPRKVKU-SZTZYQKNSA-N 0 0 243.350 3.543 20 0 BHADRN CCOc1ccc(SCCCSC)cc1 ZINC000741732885 585117507 /nfs/dbraw/zinc/11/75/07/585117507.db2.gz CKQQUCCAMZBZNK-UHFFFAOYSA-N 0 0 242.409 3.931 20 0 BHADRN Fc1cccc(N[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000741747561 585117682 /nfs/dbraw/zinc/11/76/82/585117682.db2.gz BRKSHZTWQFFWNR-NEPJUHHUSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccc(N[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000741747562 585117468 /nfs/dbraw/zinc/11/74/68/585117468.db2.gz BRKSHZTWQFFWNR-NWDGAFQWSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccc(N[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000741747563 585117671 /nfs/dbraw/zinc/11/76/71/585117671.db2.gz BRKSHZTWQFFWNR-RYUDHWBXSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccc(N[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000741747564 585117415 /nfs/dbraw/zinc/11/74/15/585117415.db2.gz BRKSHZTWQFFWNR-VXGBXAGGSA-N 0 0 234.318 3.601 20 0 BHADRN Cc1nc(N2CCCCCCC2)sc1C ZINC000741747676 585117639 /nfs/dbraw/zinc/11/76/39/585117639.db2.gz XZYKXFKFOLTMJJ-UHFFFAOYSA-N 0 0 224.373 3.530 20 0 BHADRN CSCCCN1CCCc2cc(C)ccc21 ZINC000741753154 585117567 /nfs/dbraw/zinc/11/75/67/585117567.db2.gz POZRYGIZRAHNRT-UHFFFAOYSA-N 0 0 235.396 3.501 20 0 BHADRN CCOCCCN(C)c1ccc2ccccc2c1 ZINC000741775319 585118195 /nfs/dbraw/zinc/11/81/95/585118195.db2.gz QKCPOTPDVSBASC-UHFFFAOYSA-N 0 0 243.350 3.703 20 0 BHADRN Cc1ccc2c(c1)CCCN2CCCOC(C)C ZINC000741775328 585117940 /nfs/dbraw/zinc/11/79/40/585117940.db2.gz QSHZDVGKDBFFTL-UHFFFAOYSA-N 0 0 247.382 3.563 20 0 BHADRN Cc1ccc(N(CCOCC2CC2)C(C)C)cc1 ZINC000741777928 585118039 /nfs/dbraw/zinc/11/80/39/585118039.db2.gz AMTJJZJBCORGEX-UHFFFAOYSA-N 0 0 247.382 3.636 20 0 BHADRN CCc1ccc(N(CC)Cc2ccccn2)cc1 ZINC000741780656 585118700 /nfs/dbraw/zinc/11/87/00/585118700.db2.gz JJFRIEZTFBBDAU-UHFFFAOYSA-N 0 0 240.350 3.671 20 0 BHADRN CCOCCCN(CC)c1ccc(Cl)cc1 ZINC000741781274 585118750 /nfs/dbraw/zinc/11/87/50/585118750.db2.gz NATKMCBXEOLFRB-UHFFFAOYSA-N 0 0 241.762 3.593 20 0 BHADRN CCOCCCN(c1ccc(C)cc1)C(C)C ZINC000741781585 585118697 /nfs/dbraw/zinc/11/86/97/585118697.db2.gz SSQFMGBOFWAODK-UHFFFAOYSA-N 0 0 235.371 3.636 20 0 BHADRN CCSCCN(CC)c1ccc(Cl)cc1 ZINC000741781808 585118489 /nfs/dbraw/zinc/11/84/89/585118489.db2.gz PUGAWKVWFJTDGR-UHFFFAOYSA-N 0 0 243.803 3.919 20 0 BHADRN CCN(CCCOC(C)C)c1ccc(C)cc1 ZINC000741782403 585118627 /nfs/dbraw/zinc/11/86/27/585118627.db2.gz UQWSRARTPCCUHL-UHFFFAOYSA-N 0 0 235.371 3.636 20 0 BHADRN CCN(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000741782826 585117527 /nfs/dbraw/zinc/11/75/27/585117527.db2.gz WYQMGTBQJGSQAQ-UHFFFAOYSA-N 0 0 246.741 3.762 20 0 BHADRN CCOCCCN(C)c1ccc(C(C)(C)C)cc1 ZINC000741783076 585118494 /nfs/dbraw/zinc/11/84/94/585118494.db2.gz WASLWWMMIIONMI-UHFFFAOYSA-N 0 0 249.398 3.847 20 0 BHADRN CCOCCCN(C)c1ccc(C)c(Cl)c1 ZINC000741787881 585118873 /nfs/dbraw/zinc/11/88/73/585118873.db2.gz OMQNDXWOISZDNP-UHFFFAOYSA-N 0 0 241.762 3.511 20 0 BHADRN Cc1c2ccccc2oc1C(=O)OCC1CCC1 ZINC000741821219 585119838 /nfs/dbraw/zinc/11/98/38/585119838.db2.gz ZVBYKYQPKLWWEV-UHFFFAOYSA-N 0 0 244.290 3.698 20 0 BHADRN O=C(CCC1CCCCC1)OCC1CCC1 ZINC000741834223 585120077 /nfs/dbraw/zinc/12/00/77/585120077.db2.gz YFIYMNIDTKLJCP-UHFFFAOYSA-N 0 0 224.344 3.690 20 0 BHADRN Cc1cnc(CS[C@@H]2CCc3ccccc32)o1 ZINC000741852746 585120302 /nfs/dbraw/zinc/12/03/02/585120302.db2.gz IKTAQQAYWHAVON-CYBMUJFWSA-N 0 0 245.347 3.904 20 0 BHADRN Cc1cnc(CS[C@H]2CCc3ccccc32)o1 ZINC000741852747 585120224 /nfs/dbraw/zinc/12/02/24/585120224.db2.gz IKTAQQAYWHAVON-ZDUSSCGKSA-N 0 0 245.347 3.904 20 0 BHADRN Cc1nc(SCc2cscn2)sc1C ZINC000741855339 585120291 /nfs/dbraw/zinc/12/02/91/585120291.db2.gz JNVAHTNUKKPMPF-UHFFFAOYSA-N 0 0 242.394 3.509 20 0 BHADRN Cc1nc(SCCOC(C)(C)C)sc1C ZINC000741855699 585120300 /nfs/dbraw/zinc/12/03/00/585120300.db2.gz OGFJVXXVTVTYCN-UHFFFAOYSA-N 0 0 245.413 3.667 20 0 BHADRN Cc1nc(S[C@H]2C=CCCC2)sc1C ZINC000741856072 585120314 /nfs/dbraw/zinc/12/03/14/585120314.db2.gz FWCCYXRXYUYKAS-JTQLQIEISA-N 0 0 225.382 3.961 20 0 BHADRN Cc1nc(S[C@@H]2C=CCCC2)sc1C ZINC000741856084 585120317 /nfs/dbraw/zinc/12/03/17/585120317.db2.gz FWCCYXRXYUYKAS-SNVBAGLBSA-N 0 0 225.382 3.961 20 0 BHADRN COCCCCCSc1nc(C)c(C)s1 ZINC000741856639 585120222 /nfs/dbraw/zinc/12/02/22/585120222.db2.gz RQGGDPRALISDBL-UHFFFAOYSA-N 0 0 245.413 3.669 20 0 BHADRN CCCCOCCSc1nc(C)c(C)s1 ZINC000741856826 585120379 /nfs/dbraw/zinc/12/03/79/585120379.db2.gz KKPNYXAXNJKKKD-UHFFFAOYSA-N 0 0 245.413 3.669 20 0 BHADRN Cc1nc(SCCC(F)(F)F)sc1C ZINC000741857738 584989705 /nfs/dbraw/zinc/98/97/05/584989705.db2.gz KHTQHXUXVGAHTN-UHFFFAOYSA-N 0 0 241.303 3.804 20 0 BHADRN C[C@@H](SCC1(C)COC1)c1cccs1 ZINC000741858562 585120265 /nfs/dbraw/zinc/12/02/65/585120265.db2.gz GQQSEPZZKPXVEH-SECBINFHSA-N 0 0 228.382 3.579 20 0 BHADRN C[C@H](SCC1(C)COC1)c1cccs1 ZINC000741858563 585120350 /nfs/dbraw/zinc/12/03/50/585120350.db2.gz GQQSEPZZKPXVEH-VIFPVBQESA-N 0 0 228.382 3.579 20 0 BHADRN Cc1nc(SCCCOC(C)C)sc1C ZINC000741860521 585120347 /nfs/dbraw/zinc/12/03/47/585120347.db2.gz XKPALVCPQPLIRN-UHFFFAOYSA-N 0 0 245.413 3.667 20 0 BHADRN O=C(OC1CCCC1)c1cc2cccc(F)c2o1 ZINC000741877846 585120635 /nfs/dbraw/zinc/12/06/35/585120635.db2.gz OLILGMKXLBQLFV-UHFFFAOYSA-N 0 0 248.253 3.671 20 0 BHADRN CCCCCC[C@@H](C)C(=O)OCc1cccnc1 ZINC000741879056 585120676 /nfs/dbraw/zinc/12/06/76/585120676.db2.gz ONTVAZQNRBLCRE-CYBMUJFWSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCCC[C@H](C)C(=O)OCc1cccnc1 ZINC000741879060 585120663 /nfs/dbraw/zinc/12/06/63/585120663.db2.gz ONTVAZQNRBLCRE-ZDUSSCGKSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N[C@H](C)CCC ZINC000741879291 585120781 /nfs/dbraw/zinc/12/07/81/585120781.db2.gz CIKQKADEYCLEKT-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000741879292 585120210 /nfs/dbraw/zinc/12/02/10/585120210.db2.gz CIKQKADEYCLEKT-OLZOCXBDSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)C(=O)N[C@H](C)CCC ZINC000741879293 585120321 /nfs/dbraw/zinc/12/03/21/585120321.db2.gz CIKQKADEYCLEKT-QWHCGFSZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)C(=O)N[C@@H](C)CCC ZINC000741879294 585120201 /nfs/dbraw/zinc/12/02/01/585120201.db2.gz CIKQKADEYCLEKT-STQMWFEESA-N 0 0 227.392 3.898 20 0 BHADRN O=C(OC1CCCCCC1)[C@H]1Cc2ccccc21 ZINC000741880316 585120613 /nfs/dbraw/zinc/12/06/13/585120613.db2.gz YTXYIXHDGZRZPI-HNNXBMFYSA-N 0 0 244.334 3.592 20 0 BHADRN O=C(OC1CCCCCC1)[C@@H]1Cc2ccccc21 ZINC000741880317 585120749 /nfs/dbraw/zinc/12/07/49/585120749.db2.gz YTXYIXHDGZRZPI-OAHLLOKOSA-N 0 0 244.334 3.592 20 0 BHADRN CCCCCC[C@@H](C)C(=O)OCc1ccccn1 ZINC000741880897 585120603 /nfs/dbraw/zinc/12/06/03/585120603.db2.gz UPKFSLWKBMBHLZ-CYBMUJFWSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCCC[C@H](C)C(=O)OCc1ccccn1 ZINC000741880899 585120778 /nfs/dbraw/zinc/12/07/78/585120778.db2.gz UPKFSLWKBMBHLZ-ZDUSSCGKSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC(CC)CC ZINC000741881080 585120616 /nfs/dbraw/zinc/12/06/16/585120616.db2.gz PFKZMRTTXBMIKM-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC(CC)CC ZINC000741881082 585120714 /nfs/dbraw/zinc/12/07/14/585120714.db2.gz PFKZMRTTXBMIKM-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC(C)(C)CC ZINC000741881366 585120738 /nfs/dbraw/zinc/12/07/38/585120738.db2.gz MWKDSZKEQMWVRC-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC(C)(C)CC ZINC000741881368 585120666 /nfs/dbraw/zinc/12/06/66/585120666.db2.gz MWKDSZKEQMWVRC-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NCCC(C)C ZINC000741882128 585120715 /nfs/dbraw/zinc/12/07/15/585120715.db2.gz VXUXLEGYKHATDK-CYBMUJFWSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCC[C@H](C)C(=O)NCCC(C)C ZINC000741882131 585120594 /nfs/dbraw/zinc/12/05/94/585120594.db2.gz VXUXLEGYKHATDK-ZDUSSCGKSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC(C)(C)C ZINC000741882191 585120711 /nfs/dbraw/zinc/12/07/11/585120711.db2.gz XCJNTODSMZWBLN-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC(C)(C)C ZINC000741882210 585120662 /nfs/dbraw/zinc/12/06/62/585120662.db2.gz XCJNTODSMZWBLN-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CCCCCC1 ZINC000741882881 585120762 /nfs/dbraw/zinc/12/07/62/585120762.db2.gz OUJAUDKUORIKLS-AWEZNQCLSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CCCCCC1 ZINC000741882884 585120755 /nfs/dbraw/zinc/12/07/55/585120755.db2.gz OUJAUDKUORIKLS-CQSZACIVSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NCCCCC ZINC000741883058 585120669 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CC(C)(C)/C=C/C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000741995142 585121423 /nfs/dbraw/zinc/12/14/23/585121423.db2.gz HWEDMKSROUVQCQ-ZIYQJEJDSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000741996186 585121473 /nfs/dbraw/zinc/12/14/73/585121473.db2.gz WCDZUHHYSMKSTH-FAAHXZRKSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000741996187 585121408 /nfs/dbraw/zinc/12/14/08/585121408.db2.gz WCDZUHHYSMKSTH-NMFUWQPSSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)C1CC1 ZINC000741996188 585121452 /nfs/dbraw/zinc/12/14/52/585121452.db2.gz WCDZUHHYSMKSTH-REBRKWNGSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000741996190 585121461 /nfs/dbraw/zinc/12/14/61/585121461.db2.gz WCDZUHHYSMKSTH-UQOMUDLDSA-N 0 0 249.398 3.508 20 0 BHADRN O=C(C=C1CCCC1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000742000195 585121410 /nfs/dbraw/zinc/12/14/10/585121410.db2.gz RATWAPFIIMYTSH-QLFBSQMISA-N 0 0 247.382 3.572 20 0 BHADRN O=C(C=C1CCCC1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000742000199 585121404 /nfs/dbraw/zinc/12/14/04/585121404.db2.gz RATWAPFIIMYTSH-RBSFLKMASA-N 0 0 247.382 3.572 20 0 BHADRN O=C(C=C1CCCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000742000204 585121540 /nfs/dbraw/zinc/12/15/40/585121540.db2.gz RATWAPFIIMYTSH-RRFJBIMHSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(C=C1CCCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000742000207 585121477 /nfs/dbraw/zinc/12/14/77/585121477.db2.gz RATWAPFIIMYTSH-SOUVJXGZSA-N 0 0 247.382 3.572 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)N(C)C1CCC1 ZINC000742000642 585121583 /nfs/dbraw/zinc/12/15/83/585121583.db2.gz QBDJRJQGSJDFRL-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N(C)C1CCC1 ZINC000742000644 585121653 /nfs/dbraw/zinc/12/16/53/585121653.db2.gz QBDJRJQGSJDFRL-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N(C)C1CCC1 ZINC000742001187 585020882 /nfs/dbraw/zinc/02/08/82/585020882.db2.gz UPWKJONHJGTYLM-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N(C)C1CCC1 ZINC000742001195 585021001 /nfs/dbraw/zinc/02/10/01/585021001.db2.gz UPWKJONHJGTYLM-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)=CC(=O)N1CCCCCc2ccccc21 ZINC000742009627 585121708 /nfs/dbraw/zinc/12/17/08/585121708.db2.gz DSDSRWICMHHMPC-UHFFFAOYSA-N 0 0 243.350 3.712 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CCC[C@@H]1CC ZINC000742063965 585121930 /nfs/dbraw/zinc/12/19/30/585121930.db2.gz OEPAXVKXYUVHGA-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1CC ZINC000742063966 585121964 /nfs/dbraw/zinc/12/19/64/585121964.db2.gz OEPAXVKXYUVHGA-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CCC[C@H]1CC ZINC000742063967 585121966 /nfs/dbraw/zinc/12/19/66/585121966.db2.gz OEPAXVKXYUVHGA-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CCC[C@H]1CC ZINC000742063968 585121899 /nfs/dbraw/zinc/12/18/99/585121899.db2.gz OEPAXVKXYUVHGA-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC[C@H]1CC1(C)C ZINC000742073653 585121885 /nfs/dbraw/zinc/12/18/85/585121885.db2.gz JCKCOBFWPIFYOH-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC[C@@H]1CC1(C)C ZINC000742073654 585121992 /nfs/dbraw/zinc/12/19/92/585121992.db2.gz JCKCOBFWPIFYOH-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC[C@H]1CC1(C)C ZINC000742073655 585121889 /nfs/dbraw/zinc/12/18/89/585121889.db2.gz JCKCOBFWPIFYOH-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC[C@@H]1CC1(C)C ZINC000742073656 585121884 /nfs/dbraw/zinc/12/18/84/585121884.db2.gz JCKCOBFWPIFYOH-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1C[C@H](C)C[C@H]1C ZINC000742082243 585121839 /nfs/dbraw/zinc/12/18/39/585121839.db2.gz NNSSLVCZYFHPLJ-HZSPNIEDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000742082245 585121805 /nfs/dbraw/zinc/12/18/05/585121805.db2.gz NNSSLVCZYFHPLJ-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1C[C@@H](C)C[C@H]1C ZINC000742082246 585121947 /nfs/dbraw/zinc/12/19/47/585121947.db2.gz NNSSLVCZYFHPLJ-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000742082247 585121945 /nfs/dbraw/zinc/12/19/45/585121945.db2.gz NNSSLVCZYFHPLJ-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN CCC/C=C/C(=O)N1CCC2(C1)CCCCC2 ZINC000742111050 585122205 /nfs/dbraw/zinc/12/22/05/585122205.db2.gz FENLHUTXRTZWMG-VMPITWQZSA-N 0 0 235.371 3.526 20 0 BHADRN CCC/C=C\C(=O)N1CCC2(C1)CCCCC2 ZINC000742111051 585122072 /nfs/dbraw/zinc/12/20/72/585122072.db2.gz FENLHUTXRTZWMG-YVMONPNESA-N 0 0 235.371 3.526 20 0 BHADRN CC(C)C1CCN(C(=O)C=C2CCCCC2)CC1 ZINC000742116177 585122130 /nfs/dbraw/zinc/12/21/30/585122130.db2.gz LUBFIIBGEXOZGD-UHFFFAOYSA-N 0 0 249.398 3.772 20 0 BHADRN CCCCCCC(=O)N1CCC(C(C)C)CC1 ZINC000742117842 585122017 /nfs/dbraw/zinc/12/20/17/585122017.db2.gz BQYQGZZVYCWQPM-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCC(C(C)C)CC1 ZINC000742122386 585122148 /nfs/dbraw/zinc/12/21/48/585122148.db2.gz ZDSQGQIICGMRFD-ACCUITESSA-N 0 0 237.387 3.627 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCC(C(C)C)CC1 ZINC000742122387 585122024 /nfs/dbraw/zinc/12/20/24/585122024.db2.gz ZDSQGQIICGMRFD-QBFSEMIESA-N 0 0 237.387 3.627 20 0 BHADRN CCC/C=C\C(=O)Nc1ncc(C(C)C)s1 ZINC000742126535 585122053 /nfs/dbraw/zinc/12/20/53/585122053.db2.gz TUNYBOSHFQQDER-SREVYHEPSA-N 0 0 238.356 3.561 20 0 BHADRN CCC/C=C/C(=O)Nc1ncc(C(C)C)s1 ZINC000742126536 585122080 /nfs/dbraw/zinc/12/20/80/585122080.db2.gz TUNYBOSHFQQDER-VOTSOKGWSA-N 0 0 238.356 3.561 20 0 BHADRN Cc1csc(CSc2nc(C)cs2)n1 ZINC000742207553 585123079 /nfs/dbraw/zinc/12/30/79/585123079.db2.gz TUZZRVVFBLDQSW-UHFFFAOYSA-N 0 0 242.394 3.509 20 0 BHADRN CC(=O)c1cc(F)ccc1NC1CCCCC1 ZINC000742220225 585123327 /nfs/dbraw/zinc/12/33/27/585123327.db2.gz LVLRZZUAVPSYCB-UHFFFAOYSA-N 0 0 235.302 3.773 20 0 BHADRN CC(=O)c1cc(F)ccc1NCc1cccs1 ZINC000742220822 585123391 /nfs/dbraw/zinc/12/33/91/585123391.db2.gz VLDVUSMQHQGTQU-UHFFFAOYSA-N 0 0 249.310 3.702 20 0 BHADRN FCCSc1nc(-c2ccccc2)cs1 ZINC000742221083 585123328 /nfs/dbraw/zinc/12/33/28/585123328.db2.gz XSELOBZAXJKFEW-UHFFFAOYSA-N 0 0 239.340 3.872 20 0 BHADRN FCCSC1=Nc2ccccc2CS1 ZINC000742221132 585123418 /nfs/dbraw/zinc/12/34/18/585123418.db2.gz ZLUKRRARLQVUCR-UHFFFAOYSA-N 0 0 227.329 3.624 20 0 BHADRN O=c1ccnc(C=Cc2cccc3ccccc23)[nH]1 ZINC000742221528 585123545 /nfs/dbraw/zinc/12/35/45/585123545.db2.gz MZDSXJBNQZJJHO-CMDGGOBGSA-N 0 0 248.285 3.506 20 0 BHADRN O=c1ccnc(C=Cc2cccc3ccccc23)[nH]1 ZINC000742221529 585123483 /nfs/dbraw/zinc/12/34/83/585123483.db2.gz MZDSXJBNQZJJHO-HJWRWDBZSA-N 0 0 248.285 3.506 20 0 BHADRN O=c1ccnc(C=Cc2ccc3ccccc3c2)[nH]1 ZINC000742221594 585030027 /nfs/dbraw/zinc/03/00/27/585030027.db2.gz PKNVWPAADLBDES-SOFGYWHQSA-N 0 0 248.285 3.506 20 0 BHADRN O=c1ccnc(C=Cc2ccc3ccccc3c2)[nH]1 ZINC000742221595 585030098 /nfs/dbraw/zinc/03/00/98/585030098.db2.gz PKNVWPAADLBDES-VURMDHGXSA-N 0 0 248.285 3.506 20 0 BHADRN CCC[C@@H](C)C(=O)O[C@H](C)c1cccc(F)c1 ZINC000742224066 585123448 /nfs/dbraw/zinc/12/34/48/585123448.db2.gz PVBVORSBXHZJKF-GHMZBOCLSA-N 0 0 238.302 3.866 20 0 BHADRN CCC[C@@H](C)C(=O)O[C@@H](C)c1cccc(F)c1 ZINC000742224067 585123501 /nfs/dbraw/zinc/12/35/01/585123501.db2.gz PVBVORSBXHZJKF-MNOVXSKESA-N 0 0 238.302 3.866 20 0 BHADRN CCC[C@H](C)C(=O)O[C@@H](C)c1cccc(F)c1 ZINC000742224068 585123505 /nfs/dbraw/zinc/12/35/05/585123505.db2.gz PVBVORSBXHZJKF-QWRGUYRKSA-N 0 0 238.302 3.866 20 0 BHADRN CCC[C@H](C)C(=O)O[C@H](C)c1cccc(F)c1 ZINC000742224069 585123358 /nfs/dbraw/zinc/12/33/58/585123358.db2.gz PVBVORSBXHZJKF-WDEREUQCSA-N 0 0 238.302 3.866 20 0 BHADRN CC(=O)c1cc(F)ccc1NCc1ccccc1 ZINC000742241976 585124262 /nfs/dbraw/zinc/12/42/62/585124262.db2.gz QDOMOEZTUCUELW-UHFFFAOYSA-N 0 0 243.281 3.640 20 0 BHADRN CCOCCCOc1c(C)cc(Cl)cc1C ZINC000742349094 644564920 /nfs/dbraw/zinc/56/49/20/644564920.db2.gz SNFFHVQRAKYOJO-UHFFFAOYSA-N 0 0 242.746 3.762 20 0 BHADRN Cc1cccc(F)c1CNCc1ccccc1F ZINC000742380209 585125332 /nfs/dbraw/zinc/12/53/32/585125332.db2.gz KBJRRRSJUJXTMK-UHFFFAOYSA-N 0 0 247.288 3.563 20 0 BHADRN CC[C@@H](CNc1ccc(C)cn1)c1ccccc1 ZINC000742390655 585125665 /nfs/dbraw/zinc/12/56/65/585125665.db2.gz XIKNGIDEJMRXID-AWEZNQCLSA-N 0 0 240.350 3.996 20 0 BHADRN CC[C@H](CNc1ccc(C)cn1)c1ccccc1 ZINC000742390659 585125858 /nfs/dbraw/zinc/12/58/58/585125858.db2.gz XIKNGIDEJMRXID-CQSZACIVSA-N 0 0 240.350 3.996 20 0 BHADRN Cc1ccc(NCc2nccc3ccccc32)nc1 ZINC000742392175 585125800 /nfs/dbraw/zinc/12/58/00/585125800.db2.gz LXRBZUXODKWXOR-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1nccc(NCC2CCCCCCC2)n1 ZINC000742395563 585125772 /nfs/dbraw/zinc/12/57/72/585125772.db2.gz XSDCPSFYXYFCIF-UHFFFAOYSA-N 0 0 233.359 3.557 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1cccnn1 ZINC000742396580 585125787 /nfs/dbraw/zinc/12/57/87/585125787.db2.gz FMLSYASHRCQEFW-CHWSQXEVSA-N 0 0 247.386 3.741 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@@H]1CNc1cccnn1 ZINC000742396582 585125687 /nfs/dbraw/zinc/12/56/87/585125687.db2.gz FMLSYASHRCQEFW-OLZOCXBDSA-N 0 0 247.386 3.741 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1CNc1cccnn1 ZINC000742396583 585125684 /nfs/dbraw/zinc/12/56/84/585125684.db2.gz FMLSYASHRCQEFW-QWHCGFSZSA-N 0 0 247.386 3.741 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@H]1CNc1cccnn1 ZINC000742396585 585125877 /nfs/dbraw/zinc/12/58/77/585125877.db2.gz FMLSYASHRCQEFW-STQMWFEESA-N 0 0 247.386 3.741 20 0 BHADRN Cc1ccc(NC[C@@H]2CCc3ccccc32)nc1 ZINC000742406393 585125700 /nfs/dbraw/zinc/12/57/00/585125700.db2.gz LFCBNYMHAOPLNZ-AWEZNQCLSA-N 0 0 238.334 3.532 20 0 BHADRN Cc1ccc(NC[C@H]2CCc3ccccc32)nc1 ZINC000742406400 585125796 /nfs/dbraw/zinc/12/57/96/585125796.db2.gz LFCBNYMHAOPLNZ-CQSZACIVSA-N 0 0 238.334 3.532 20 0 BHADRN Cc1ccc(NC/C=C\c2ccccc2)nc1 ZINC000742407339 585125421 /nfs/dbraw/zinc/12/54/21/585125421.db2.gz LJMWPWZDBPBMRA-YVMONPNESA-N 0 0 224.307 3.515 20 0 BHADRN CCCCC[C@@H](Nc1cccnn1)C(C)(C)C ZINC000742407658 585125635 /nfs/dbraw/zinc/12/56/35/585125635.db2.gz LQBILMJUSQNIFO-GFCCVEGCSA-N 0 0 235.375 3.884 20 0 BHADRN CCCCC[C@H](Nc1cccnn1)C(C)(C)C ZINC000742407659 585125854 /nfs/dbraw/zinc/12/58/54/585125854.db2.gz LQBILMJUSQNIFO-LBPRGKRZSA-N 0 0 235.375 3.884 20 0 BHADRN Cc1ccc([C@@H](C)CNc2ccc(C)cn2)cc1 ZINC000742408448 585125756 /nfs/dbraw/zinc/12/57/56/585125756.db2.gz DYOHHZBVUQLPRY-AWEZNQCLSA-N 0 0 240.350 3.914 20 0 BHADRN Cc1ccc([C@H](C)CNc2ccc(C)cn2)cc1 ZINC000742408449 585125758 /nfs/dbraw/zinc/12/57/58/585125758.db2.gz DYOHHZBVUQLPRY-CQSZACIVSA-N 0 0 240.350 3.914 20 0 BHADRN Cc1ccc(NCCc2cc(C)cc(C)c2)nc1 ZINC000742409234 585125688 /nfs/dbraw/zinc/12/56/88/585125688.db2.gz YSONKRKGQYDVMN-UHFFFAOYSA-N 0 0 240.350 3.661 20 0 BHADRN CC(C)c1nccc(N2C3CCCC2CCC3)n1 ZINC000742417694 585126086 /nfs/dbraw/zinc/12/60/86/585126086.db2.gz IDYQPOWOBAKKTL-UHFFFAOYSA-N 0 0 245.370 3.511 20 0 BHADRN Fc1cccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 ZINC000742418575 585126191 /nfs/dbraw/zinc/12/61/91/585126191.db2.gz WILZMXKGGKTZJZ-GRYCIOLGSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 ZINC000742418576 585126102 /nfs/dbraw/zinc/12/61/02/585126102.db2.gz WILZMXKGGKTZJZ-IJLUTSLNSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC000742418577 585126081 /nfs/dbraw/zinc/12/60/81/585126081.db2.gz WILZMXKGGKTZJZ-QJPTWQEYSA-N 0 0 234.318 3.601 20 0 BHADRN Fc1cccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 ZINC000742418583 585125925 /nfs/dbraw/zinc/12/59/25/585125925.db2.gz WILZMXKGGKTZJZ-SDDRHHMPSA-N 0 0 234.318 3.601 20 0 BHADRN Cc1ccc(CC[C@H](C)Nc2cccc(F)n2)o1 ZINC000742422644 585126026 /nfs/dbraw/zinc/12/60/26/585126026.db2.gz ZIPJYMQGHKEMPJ-JTQLQIEISA-N 0 0 248.301 3.555 20 0 BHADRN Cc1ccc(CC[C@@H](C)Nc2cccc(F)n2)o1 ZINC000742422645 585126214 /nfs/dbraw/zinc/12/62/14/585126214.db2.gz ZIPJYMQGHKEMPJ-SNVBAGLBSA-N 0 0 248.301 3.555 20 0 BHADRN c1cc2c(ccnc2N2CCC3(CCCC3)C2)o1 ZINC000742426607 582668536 /nfs/dbraw/zinc/66/85/36/582668536.db2.gz TXECNAUSWRQNEY-UHFFFAOYSA-N 0 0 242.322 3.598 20 0 BHADRN CC(C)[C@H](C)Sc1ncnc2ccccc21 ZINC000742427715 582668984 /nfs/dbraw/zinc/66/89/84/582668984.db2.gz YYRNDNDPBCDWLM-JTQLQIEISA-N 0 0 232.352 3.766 20 0 BHADRN CC(C)[C@@H](C)Sc1ncnc2ccccc21 ZINC000742427716 582668973 /nfs/dbraw/zinc/66/89/73/582668973.db2.gz YYRNDNDPBCDWLM-SNVBAGLBSA-N 0 0 232.352 3.766 20 0 BHADRN Clc1ccc(N2CCC3(CCCC3)C2)nc1 ZINC000742430493 585126249 /nfs/dbraw/zinc/12/62/49/585126249.db2.gz SCZUWCPGWYVMQB-UHFFFAOYSA-N 0 0 236.746 3.506 20 0 BHADRN OCCCCCCCSc1ccc(F)cc1 ZINC000742444237 585126298 /nfs/dbraw/zinc/12/62/98/585126298.db2.gz DOPGZRCCAHIXTK-UHFFFAOYSA-N 0 0 242.359 3.861 20 0 BHADRN OCCCCCCCSc1ccccc1F ZINC000742444769 585126296 /nfs/dbraw/zinc/12/62/96/585126296.db2.gz FLFRSKLLBCKVRB-UHFFFAOYSA-N 0 0 242.359 3.861 20 0 BHADRN FCCSc1cccc(C(F)(F)F)c1 ZINC000742445250 585126311 /nfs/dbraw/zinc/12/63/11/585126311.db2.gz LBBHMXQVOJSOET-UHFFFAOYSA-N 0 0 224.222 3.767 20 0 BHADRN C(CC1CCCCC1)SC1=NCCS1 ZINC000742445888 585126391 /nfs/dbraw/zinc/12/63/91/585126391.db2.gz ZQUMTNUCMSHQFB-UHFFFAOYSA-N 0 0 229.414 3.793 20 0 BHADRN C[C@@H](OC(=O)C[C@H]1C=CCC1)c1ccc(F)cc1 ZINC000742447000 585126517 /nfs/dbraw/zinc/12/65/17/585126517.db2.gz QORBDJKFTZDOFK-NEPJUHHUSA-N 0 0 248.297 3.786 20 0 BHADRN C[C@H](OC(=O)C[C@@H]1C=CCC1)c1ccc(F)cc1 ZINC000742447005 585126509 /nfs/dbraw/zinc/12/65/09/585126509.db2.gz QORBDJKFTZDOFK-NWDGAFQWSA-N 0 0 248.297 3.786 20 0 BHADRN C[C@H](OC(=O)C[C@H]1C=CCC1)c1ccc(F)cc1 ZINC000742447007 585126599 /nfs/dbraw/zinc/12/65/99/585126599.db2.gz QORBDJKFTZDOFK-RYUDHWBXSA-N 0 0 248.297 3.786 20 0 BHADRN CCCCOC(=O)[C@@H](C)SC1CCCCC1 ZINC000742447252 585126573 /nfs/dbraw/zinc/12/65/73/585126573.db2.gz DPJWLMMJTSSBNB-LLVKDONJSA-N 0 0 244.400 3.784 20 0 BHADRN CCCCOC(=O)[C@H](C)SC1CCCCC1 ZINC000742447253 585126533 /nfs/dbraw/zinc/12/65/33/585126533.db2.gz DPJWLMMJTSSBNB-NSHDSACASA-N 0 0 244.400 3.784 20 0 BHADRN OCCCCCCCSC1CCCCC1 ZINC000742447267 585126635 /nfs/dbraw/zinc/12/66/35/585126635.db2.gz DVWXIMBTCMXXES-UHFFFAOYSA-N 0 0 230.417 3.995 20 0 BHADRN OCCCCCCCSCc1ccccc1 ZINC000742447518 585126638 /nfs/dbraw/zinc/12/66/38/585126638.db2.gz QUEOCKXALBWVHA-UHFFFAOYSA-N 0 0 238.396 3.863 20 0 BHADRN OCCCCCCCOc1cccc(Cl)c1 ZINC000742447534 585126557 /nfs/dbraw/zinc/12/65/57/585126557.db2.gz RXJDLYOSEXDNJV-UHFFFAOYSA-N 0 0 242.746 3.662 20 0 BHADRN c1ccc2c(c1)ncnc2SCC1CCC1 ZINC000742447608 585126488 /nfs/dbraw/zinc/12/64/88/585126488.db2.gz XZGVCWWPAUQOHD-UHFFFAOYSA-N 0 0 230.336 3.522 20 0 BHADRN CCC(C)(C)CCSC(=S)N1CCCC1 ZINC000742448518 585126513 /nfs/dbraw/zinc/12/65/13/585126513.db2.gz DKPGYLLQJOJDSQ-UHFFFAOYSA-N 0 0 245.457 3.927 20 0 BHADRN Cc1ccc(OCCSCC2CCC2)cc1 ZINC000742449718 585126606 /nfs/dbraw/zinc/12/66/06/585126606.db2.gz NIIOIUMXCPWHGF-UHFFFAOYSA-N 0 0 236.380 3.907 20 0 BHADRN CCCOC(=O)[C@@H](C)SCC1CCCCC1 ZINC000742450564 585126551 /nfs/dbraw/zinc/12/65/51/585126551.db2.gz DXGIEBDTMZJPKO-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CCCOC(=O)[C@H](C)SCC1CCCCC1 ZINC000742450565 585126619 /nfs/dbraw/zinc/12/66/19/585126619.db2.gz DXGIEBDTMZJPKO-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CCC(CC)SCCCCCCCO ZINC000742451821 585126571 /nfs/dbraw/zinc/12/65/71/585126571.db2.gz HNPOJPINEOFCPB-UHFFFAOYSA-N 0 0 218.406 3.851 20 0 BHADRN CCOc1ccc(SCC2CCC2)cc1 ZINC000742452052 585126640 /nfs/dbraw/zinc/12/66/40/585126640.db2.gz FJVNBCFAEATMBV-UHFFFAOYSA-N 0 0 222.353 3.978 20 0 BHADRN CCCCOC(=O)[C@H](C)SC(CC)CC ZINC000742452061 585126468 /nfs/dbraw/zinc/12/64/68/585126468.db2.gz PMAFJAFCMSTVNS-JTQLQIEISA-N 0 0 232.389 3.640 20 0 BHADRN CCCCOC(=O)[C@@H](C)SC(CC)CC ZINC000742452065 585126657 /nfs/dbraw/zinc/12/66/57/585126657.db2.gz PMAFJAFCMSTVNS-SNVBAGLBSA-N 0 0 232.389 3.640 20 0 BHADRN CCn1ccnc1SCCC(C)(C)CC ZINC000742452344 585126543 /nfs/dbraw/zinc/12/65/43/585126543.db2.gz NBWZVPDZTJVJFZ-UHFFFAOYSA-N 0 0 226.389 3.821 20 0 BHADRN CCn1ccnc1SCCC1CCCCC1 ZINC000742452416 585126595 /nfs/dbraw/zinc/12/65/95/585126595.db2.gz QUVSHWZBXXSYBI-UHFFFAOYSA-N 0 0 238.400 3.966 20 0 BHADRN CC(C)Cc1ccc(CSc2ncc[nH]2)cc1 ZINC000742452933 585126542 /nfs/dbraw/zinc/12/65/42/585126542.db2.gz GHHBRURDPUAPIH-UHFFFAOYSA-N 0 0 246.379 3.901 20 0 BHADRN c1ccc2c(c1)CC(SCC1CCC1)=N2 ZINC000742453554 585126575 /nfs/dbraw/zinc/12/65/75/585126575.db2.gz GLNHXDIPHGQRPT-UHFFFAOYSA-N 0 0 217.337 3.806 20 0 BHADRN CC(C)[C@@H](C)SCCCCCCCO ZINC000742460307 585126750 /nfs/dbraw/zinc/12/67/50/585126750.db2.gz FBJWCHQZPBFGOB-GFCCVEGCSA-N 0 0 218.406 3.707 20 0 BHADRN CC(C)[C@H](C)SCCCCCCCO ZINC000742460308 585126868 /nfs/dbraw/zinc/12/68/68/585126868.db2.gz FBJWCHQZPBFGOB-LBPRGKRZSA-N 0 0 218.406 3.707 20 0 BHADRN CC(C)[C@@H](C)SCc1nnc(C(C)(C)C)o1 ZINC000742460312 585126668 /nfs/dbraw/zinc/12/66/68/585126668.db2.gz FHUIFMPBJSLLIC-SECBINFHSA-N 0 0 242.388 3.645 20 0 BHADRN CC(C)[C@H](C)SCc1nnc(C(C)(C)C)o1 ZINC000742460313 585126859 /nfs/dbraw/zinc/12/68/59/585126859.db2.gz FHUIFMPBJSLLIC-VIFPVBQESA-N 0 0 242.388 3.645 20 0 BHADRN CC(C)[C@H](C)SCCC(=O)C(C)(C)C ZINC000742460725 585126801 /nfs/dbraw/zinc/12/68/01/585126801.db2.gz YQUYSWLTVDMBJW-JTQLQIEISA-N 0 0 216.390 3.769 20 0 BHADRN CC(C)[C@@H](C)SCCC(=O)C(C)(C)C ZINC000742460726 585126779 /nfs/dbraw/zinc/12/67/79/585126779.db2.gz YQUYSWLTVDMBJW-SNVBAGLBSA-N 0 0 216.390 3.769 20 0 BHADRN CCCCCNC(=O)C[C@H](C)CCCCC ZINC000742462262 585126709 /nfs/dbraw/zinc/12/67/09/585126709.db2.gz BWIUWPWKAFOJHB-CYBMUJFWSA-N 0 0 227.392 3.899 20 0 BHADRN CCCCCNC(=O)C[C@@H](C)CCCCC ZINC000742462263 585126715 /nfs/dbraw/zinc/12/67/15/585126715.db2.gz BWIUWPWKAFOJHB-ZDUSSCGKSA-N 0 0 227.392 3.899 20 0 BHADRN CC[C@H]1CCCCN1C(=O)/C=C(/C)C(C)(C)C ZINC000742462530 585126759 /nfs/dbraw/zinc/12/67/59/585126759.db2.gz GDHPIZQZZQHSBD-HHQWOOOKSA-N 0 0 237.387 3.770 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)/C=C(/C)C(C)(C)C ZINC000742462531 585126680 /nfs/dbraw/zinc/12/66/80/585126680.db2.gz GDHPIZQZZQHSBD-YLGBQOPLSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)N1CCCC1 ZINC000742462579 585126830 /nfs/dbraw/zinc/12/68/30/585126830.db2.gz HFLMOLVGQBPDNA-HNNXBMFYSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)N1CCCC1 ZINC000742462580 585126804 /nfs/dbraw/zinc/12/68/04/585126804.db2.gz HFLMOLVGQBPDNA-OAHLLOKOSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)NC(C)C ZINC000742463036 585126677 /nfs/dbraw/zinc/12/66/77/585126677.db2.gz KHZSHPNRLOTYRS-AWEZNQCLSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)NC(C)C ZINC000742463038 585126826 /nfs/dbraw/zinc/12/68/26/585126826.db2.gz KHZSHPNRLOTYRS-CQSZACIVSA-N 0 0 227.392 3.898 20 0 BHADRN C/C(=C/C(=O)N(C)Cc1ccccc1)C(C)(C)C ZINC000742463088 585126824 /nfs/dbraw/zinc/12/68/24/585126824.db2.gz MOYSXEIJKNGJFM-QBFSEMIESA-N 0 0 245.366 3.637 20 0 BHADRN C/C(=C/C(=O)N[C@@H](C)c1ccccc1)C(C)(C)C ZINC000742463209 585126679 /nfs/dbraw/zinc/12/66/79/585126679.db2.gz PAXWSJLXPVCEMW-HHQWOOOKSA-N 0 0 245.366 3.856 20 0 BHADRN C/C(=C/C(=O)N[C@H](C)c1ccccc1)C(C)(C)C ZINC000742463210 585126811 /nfs/dbraw/zinc/12/68/11/585126811.db2.gz PAXWSJLXPVCEMW-YLGBQOPLSA-N 0 0 245.366 3.856 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCCCCC1 ZINC000742463808 585126773 /nfs/dbraw/zinc/12/67/73/585126773.db2.gz QLTOLABVEUMKBH-AWEZNQCLSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCCCCC1 ZINC000742463809 585126828 /nfs/dbraw/zinc/12/68/28/585126828.db2.gz QLTOLABVEUMKBH-CQSZACIVSA-N 0 0 239.403 3.996 20 0 BHADRN C/C(=C/C(=O)Nc1ccc(C)cc1)C(C)(C)C ZINC000742464401 585126769 /nfs/dbraw/zinc/12/67/69/585126769.db2.gz DJVLCTLRRGKYBI-BENRWUELSA-N 0 0 231.339 3.926 20 0 BHADRN COc1ccc(NC(=O)/C=C(/C)C(C)(C)C)cc1 ZINC000742464410 585126669 /nfs/dbraw/zinc/12/66/69/585126669.db2.gz FHYLNNSBSBDHNS-KHPPLWFESA-N 0 0 247.338 3.626 20 0 BHADRN C/C(=C/C(=O)Nc1ccccc1C)C(C)(C)C ZINC000742464422 585126774 /nfs/dbraw/zinc/12/67/74/585126774.db2.gz FZMGCNOOJYUTPW-BENRWUELSA-N 0 0 231.339 3.926 20 0 BHADRN C/C(=C/C(=O)Nc1ccccc1)C(C)(C)C ZINC000742464429 585126772 /nfs/dbraw/zinc/12/67/72/585126772.db2.gz GBYYUFJBBFOTHK-KHPPLWFESA-N 0 0 217.312 3.618 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)Nc2cccc(C)c2)o1 ZINC000742464493 585126776 /nfs/dbraw/zinc/12/67/76/585126776.db2.gz JDFFMBMHLQXRIJ-GFCCVEGCSA-N 0 0 243.306 3.639 20 0 BHADRN Cc1ccc([C@H](C)C(=O)Nc2cccc(C)c2)o1 ZINC000742464494 585126712 /nfs/dbraw/zinc/12/67/12/585126712.db2.gz JDFFMBMHLQXRIJ-LBPRGKRZSA-N 0 0 243.306 3.639 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)Nc2ccc(C)cc2)o1 ZINC000742464644 585126832 /nfs/dbraw/zinc/12/68/32/585126832.db2.gz LIUROVCTYAGJCO-GFCCVEGCSA-N 0 0 243.306 3.639 20 0 BHADRN Cc1ccc([C@H](C)C(=O)Nc2ccc(C)cc2)o1 ZINC000742464646 585126733 /nfs/dbraw/zinc/12/67/33/585126733.db2.gz LIUROVCTYAGJCO-LBPRGKRZSA-N 0 0 243.306 3.639 20 0 BHADRN COc1ccccc1NC(=O)/C=C(/C)C(C)(C)C ZINC000742464649 585126672 /nfs/dbraw/zinc/12/66/72/585126672.db2.gz LLJFWOVOERKFMJ-KHPPLWFESA-N 0 0 247.338 3.626 20 0 BHADRN C/C(=C/C(=O)Nc1cccc(C)c1)C(C)(C)C ZINC000742464669 585126765 /nfs/dbraw/zinc/12/67/65/585126765.db2.gz MKQJNFABWDGHFK-BENRWUELSA-N 0 0 231.339 3.926 20 0 BHADRN C/C(=C/C(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000742464692 585126682 /nfs/dbraw/zinc/12/66/82/585126682.db2.gz NIJQQYKJOJLNJO-KTKRTIGZSA-N 0 0 235.302 3.757 20 0 BHADRN C/C(=C/C(=O)N(C)c1ccccc1)C(C)(C)C ZINC000742464804 585126827 /nfs/dbraw/zinc/12/68/27/585126827.db2.gz PZXIQZVZHPKOEQ-QXMHVHEDSA-N 0 0 231.339 3.642 20 0 BHADRN COc1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 ZINC000742464910 585126862 /nfs/dbraw/zinc/12/68/62/585126862.db2.gz SLRKGBDZHFSXHD-LUAWRHEFSA-N 0 0 247.338 3.626 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)Nc2ccccc2C)o1 ZINC000742464931 585126829 /nfs/dbraw/zinc/12/68/29/585126829.db2.gz UDKFLDKCHASJNF-GFCCVEGCSA-N 0 0 243.306 3.639 20 0 BHADRN Cc1ccc([C@H](C)C(=O)Nc2ccccc2C)o1 ZINC000742464932 585126808 /nfs/dbraw/zinc/12/68/08/585126808.db2.gz UDKFLDKCHASJNF-LBPRGKRZSA-N 0 0 243.306 3.639 20 0 BHADRN C/C(=C/C(=O)NCC1CCCCC1)C(C)(C)C ZINC000742465280 585126749 /nfs/dbraw/zinc/12/67/49/585126749.db2.gz BLMBSCDYQZCCNK-BENRWUELSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C\C(=O)NCC1CCCCC1)C(C)(C)C ZINC000742465281 585126869 /nfs/dbraw/zinc/12/68/69/585126869.db2.gz BLMBSCDYQZCCNK-ZRDIBKRKSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)c1ccc(NC(=O)/C=C\C2CC2)cc1 ZINC000742465417 585126740 /nfs/dbraw/zinc/12/67/40/585126740.db2.gz NBDPOGCPDKQVBI-YHYXMXQVSA-N 0 0 229.323 3.715 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NCCC(C)C ZINC000742465507 585126856 /nfs/dbraw/zinc/12/68/56/585126856.db2.gz IDEMGYLXNXWBOT-CYBMUJFWSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@H](C)CC(=O)NCCC(C)C ZINC000742465508 585126816 /nfs/dbraw/zinc/12/68/16/585126816.db2.gz IDEMGYLXNXWBOT-ZDUSSCGKSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1cccnc1 ZINC000742465687 585127024 /nfs/dbraw/zinc/12/70/24/585127024.db2.gz KCNIUVARKOZDIA-GFCCVEGCSA-N 0 0 234.343 3.627 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1cccnc1 ZINC000742465688 585127036 /nfs/dbraw/zinc/12/70/36/585127036.db2.gz KCNIUVARKOZDIA-LBPRGKRZSA-N 0 0 234.343 3.627 20 0 BHADRN CCCN(CCC)C(=O)/C=C(/C)C(C)(C)C ZINC000742465829 585126975 /nfs/dbraw/zinc/12/69/75/585126975.db2.gz LWRGHIIEAZKWQI-QXMHVHEDSA-N 0 0 225.376 3.627 20 0 BHADRN O=C(/C=C\C1CC1)Nc1ccc2ccccc2c1 ZINC000742465891 582671946 /nfs/dbraw/zinc/67/19/46/582671946.db2.gz DRTJDSWDZHTTNA-YFHOEESVSA-N 0 0 237.302 3.745 20 0 BHADRN CCCCc1ccc(NC(=O)/C=C\C2CC2)cc1 ZINC000742465907 585126912 /nfs/dbraw/zinc/12/69/12/585126912.db2.gz WAIXQRXNFHCMKJ-XFXZXTDPSA-N 0 0 243.350 3.934 20 0 BHADRN Cc1ccc(NC(=O)/C=C\C2CC2)cc1Cl ZINC000742466174 585126921 /nfs/dbraw/zinc/12/69/21/585126921.db2.gz HMMDQLOSMZSSSD-ALCCZGGFSA-N 0 0 235.714 3.553 20 0 BHADRN C/C(=C/C(=O)Nc1ccccc1F)C(C)(C)C ZINC000742466408 585126954 /nfs/dbraw/zinc/12/69/54/585126954.db2.gz MYOMPKCTSRYBQB-KTKRTIGZSA-N 0 0 235.302 3.757 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NCCCC ZINC000742466470 582671937 /nfs/dbraw/zinc/67/19/37/582671937.db2.gz NNIQRAUKARYNSG-GFCCVEGCSA-N 0 0 213.365 3.509 20 0 BHADRN CCCCC[C@H](C)CC(=O)NCCCC ZINC000742466471 582671916 /nfs/dbraw/zinc/67/19/16/582671916.db2.gz NNIQRAUKARYNSG-LBPRGKRZSA-N 0 0 213.365 3.509 20 0 BHADRN C/C(=C/C(=O)Nc1cccc(F)c1)C(C)(C)C ZINC000742466472 582671905 /nfs/dbraw/zinc/67/19/05/582671905.db2.gz NOLYQHWKRUNVPN-NTMALXAHSA-N 0 0 235.302 3.757 20 0 BHADRN CC(C)(C)c1ccc(NC(=O)/C=C\C2CC2)cc1 ZINC000742466474 585127062 /nfs/dbraw/zinc/12/70/62/585127062.db2.gz NRKSOWSYRZTKMW-WDZFZDKYSA-N 0 0 243.350 3.889 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC[C@H](C)C1 ZINC000742466597 585126756 /nfs/dbraw/zinc/12/67/56/585126756.db2.gz UHXXDZLXEOJCQQ-KBPBESRZSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC[C@H](C)C1 ZINC000742466598 585126676 /nfs/dbraw/zinc/12/66/76/585126676.db2.gz UHXXDZLXEOJCQQ-KGLIPLIRSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000742466599 585126847 /nfs/dbraw/zinc/12/68/47/585126847.db2.gz UHXXDZLXEOJCQQ-UONOGXRCSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000742466600 585126710 /nfs/dbraw/zinc/12/67/10/585126710.db2.gz UHXXDZLXEOJCQQ-ZIAGYGMSSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)NC1CC1 ZINC000742467555 585126944 /nfs/dbraw/zinc/12/69/44/585126944.db2.gz FNJKHGNRHQEXSV-AWEZNQCLSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)NC1CC1 ZINC000742467556 585126987 /nfs/dbraw/zinc/12/69/87/585126987.db2.gz FNJKHGNRHQEXSV-CQSZACIVSA-N 0 0 225.376 3.652 20 0 BHADRN C/C(=C/C(=O)N1CCc2ccccc21)C(C)(C)C ZINC000742467599 585126877 /nfs/dbraw/zinc/12/68/77/585126877.db2.gz GVOUUVWLQUWEJZ-QXMHVHEDSA-N 0 0 243.350 3.568 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)NCCC ZINC000742468394 585126962 /nfs/dbraw/zinc/12/69/62/585126962.db2.gz GLRCFFRDPUNUOY-AWEZNQCLSA-N 0 0 227.392 3.899 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)NCCC ZINC000742468397 585126935 /nfs/dbraw/zinc/12/69/35/585126935.db2.gz GLRCFFRDPUNUOY-CQSZACIVSA-N 0 0 227.392 3.899 20 0 BHADRN C/C(=C/C(=O)NC1CCCCCC1)C(C)(C)C ZINC000742469008 585126885 /nfs/dbraw/zinc/12/68/85/585126885.db2.gz LTTIOTSVRBUNRP-QXMHVHEDSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC(C)CC1 ZINC000742469244 585126940 /nfs/dbraw/zinc/12/69/40/585126940.db2.gz SRBHYSVTACJNON-AWEZNQCLSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC(C)CC1 ZINC000742469245 585126907 /nfs/dbraw/zinc/12/69/07/585126907.db2.gz SRBHYSVTACJNON-CQSZACIVSA-N 0 0 239.403 3.851 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)NC2CCCCCC2)o1 ZINC000742469360 585127046 /nfs/dbraw/zinc/12/70/46/585127046.db2.gz XROHEDMAAWXCLI-GFCCVEGCSA-N 0 0 249.354 3.531 20 0 BHADRN Cc1ccc([C@H](C)C(=O)NC2CCCCCC2)o1 ZINC000742469361 585126948 /nfs/dbraw/zinc/12/69/48/585126948.db2.gz XROHEDMAAWXCLI-LBPRGKRZSA-N 0 0 249.354 3.531 20 0 BHADRN CCCCN(CC)C(=O)/C=C(/C)C(C)(C)C ZINC000742469461 585126898 /nfs/dbraw/zinc/12/68/98/585126898.db2.gz BWOZFLDIAWVGOY-QXMHVHEDSA-N 0 0 225.376 3.627 20 0 BHADRN CCCCN(CC)C(=O)/C=C(\C)C(C)(C)C ZINC000742469462 585127014 /nfs/dbraw/zinc/12/70/14/585127014.db2.gz BWOZFLDIAWVGOY-VAWYXSNFSA-N 0 0 225.376 3.627 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC(CC)CC ZINC000742469582 585126893 /nfs/dbraw/zinc/12/68/93/585126893.db2.gz DBVNKZLVOQXZDA-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC(CC)CC ZINC000742469583 585126981 /nfs/dbraw/zinc/12/69/81/585126981.db2.gz DBVNKZLVOQXZDA-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCCC[C@H]1C)C(C)(C)C ZINC000742470555 585127053 /nfs/dbraw/zinc/12/70/53/585127053.db2.gz UZJRUMSVULVHTN-KLOBIAMYSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCCC[C@@H]1C)C(C)(C)C ZINC000742470556 585126946 /nfs/dbraw/zinc/12/69/46/585126946.db2.gz UZJRUMSVULVHTN-WEVJOFGFSA-N 0 0 237.387 3.674 20 0 BHADRN CCCN(CC1CC1)C(=O)/C=C(/C)C(C)(C)C ZINC000742470656 585126889 /nfs/dbraw/zinc/12/68/89/585126889.db2.gz WNLGRNHDPZIMPX-BENRWUELSA-N 0 0 237.387 3.627 20 0 BHADRN CCCN(CC1CC1)C(=O)/C=C(\C)C(C)(C)C ZINC000742470658 585126873 /nfs/dbraw/zinc/12/68/73/585126873.db2.gz WNLGRNHDPZIMPX-ZRDIBKRKSA-N 0 0 237.387 3.627 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCCC[C@@H]1C ZINC000742470897 585126979 /nfs/dbraw/zinc/12/69/79/585126979.db2.gz XVKPCXNAODFSHS-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCCC[C@@H]1C ZINC000742470899 585127004 /nfs/dbraw/zinc/12/70/04/585127004.db2.gz XVKPCXNAODFSHS-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCCC[C@H]1C ZINC000742470900 585126984 /nfs/dbraw/zinc/12/69/84/585126984.db2.gz XVKPCXNAODFSHS-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCCC[C@H]1C ZINC000742470903 585127068 /nfs/dbraw/zinc/12/70/68/585127068.db2.gz XVKPCXNAODFSHS-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN C/C(=C/C(=O)NCc1ccc(C)cc1)C(C)(C)C ZINC000742472290 585126880 /nfs/dbraw/zinc/12/68/80/585126880.db2.gz PGVTWUQADKTFSZ-RAXLEYEMSA-N 0 0 245.366 3.604 20 0 BHADRN C/C(=C/C(=O)N(C)Cc1ccc(C)o1)C(C)(C)C ZINC000742480534 585127077 /nfs/dbraw/zinc/12/70/77/585127077.db2.gz JSCOWDIOWDCPAS-LUAWRHEFSA-N 0 0 249.354 3.539 20 0 BHADRN C/C(=C\C(=O)N(C)Cc1ccc(C)o1)C(C)(C)C ZINC000742480537 585126941 /nfs/dbraw/zinc/12/69/41/585126941.db2.gz JSCOWDIOWDCPAS-PKNBQFBNSA-N 0 0 249.354 3.539 20 0 BHADRN CC(C)c1cccc(NC(=O)/C=C\C2CC2)c1 ZINC000742482822 585127220 /nfs/dbraw/zinc/12/72/20/585127220.db2.gz KUDQLUUTWYYVCS-HJWRWDBZSA-N 0 0 229.323 3.715 20 0 BHADRN CCCc1ccc(NC(=O)/C=C/C2CC2)cc1 ZINC000742484335 585127179 /nfs/dbraw/zinc/12/71/79/585127179.db2.gz WIRRMRLHGYMZLV-DHZHZOJOSA-N 0 0 229.323 3.544 20 0 BHADRN CCCc1ccc(NC(=O)/C=C\C2CC2)cc1 ZINC000742484337 585127291 /nfs/dbraw/zinc/12/72/91/585127291.db2.gz WIRRMRLHGYMZLV-FLIBITNWSA-N 0 0 229.323 3.544 20 0 BHADRN C/C(=C/C(=O)NCc1ccccc1C)C(C)(C)C ZINC000742485754 585127111 /nfs/dbraw/zinc/12/71/11/585127111.db2.gz HGGNKWSMCFSWFA-RAXLEYEMSA-N 0 0 245.366 3.604 20 0 BHADRN C/C(=C\C(=O)NCCC1=CCCCC1)C(C)(C)C ZINC000742486094 585127169 /nfs/dbraw/zinc/12/71/69/585127169.db2.gz PFWQOYVCUHWUGI-OUKQBFOZSA-N 0 0 249.398 3.986 20 0 BHADRN C/C(=C/C(=O)NCCC1=CCCCC1)C(C)(C)C ZINC000742486095 585127285 /nfs/dbraw/zinc/12/72/85/585127285.db2.gz PFWQOYVCUHWUGI-SEYXRHQNSA-N 0 0 249.398 3.986 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)N1CCC1 ZINC000742491333 585127184 /nfs/dbraw/zinc/12/71/84/585127184.db2.gz TVYHJBHMUPOGGP-AWEZNQCLSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)N1CCC1 ZINC000742491334 585127159 /nfs/dbraw/zinc/12/71/59/585127159.db2.gz TVYHJBHMUPOGGP-CQSZACIVSA-N 0 0 225.376 3.605 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)/C=C\C1CC1 ZINC000742493146 585127109 /nfs/dbraw/zinc/12/71/09/585127109.db2.gz ASPVFCMAXAHARU-DAXSKMNVSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)/C=C/C1CC1 ZINC000742493147 585127206 /nfs/dbraw/zinc/12/72/06/585127206.db2.gz ASPVFCMAXAHARU-QPJJXVBHSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)/C=C\C2CC2)c1 ZINC000742493440 585127105 /nfs/dbraw/zinc/12/71/05/585127105.db2.gz PFRIDFLJMGMJOO-ALCCZGGFSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)/C=C/C2CC2)c1 ZINC000742493441 585127264 /nfs/dbraw/zinc/12/72/64/585127264.db2.gz PFRIDFLJMGMJOO-FNORWQNLSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)CC2CCC2)c1 ZINC000742493481 585127214 /nfs/dbraw/zinc/12/72/14/585127214.db2.gz RCIOFXINHNSIFE-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)CC1CCC1 ZINC000742493552 585127104 /nfs/dbraw/zinc/12/71/04/585127104.db2.gz KNUUFECJRDBSKC-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)Oc2ccc(C)cc2)o1 ZINC000742493829 585127133 /nfs/dbraw/zinc/12/71/33/585127133.db2.gz FIKWMKBFKBRXLY-GFCCVEGCSA-N 0 0 244.290 3.606 20 0 BHADRN Cc1ccc([C@H](C)C(=O)Oc2ccc(C)cc2)o1 ZINC000742493830 585127287 /nfs/dbraw/zinc/12/72/87/585127287.db2.gz FIKWMKBFKBRXLY-LBPRGKRZSA-N 0 0 244.290 3.606 20 0 BHADRN COc1ccccc1OC(=O)/C=C(/C)C(C)(C)C ZINC000742494159 585127130 /nfs/dbraw/zinc/12/71/30/585127130.db2.gz HTQIYKDDAYAATI-KHPPLWFESA-N 0 0 248.322 3.593 20 0 BHADRN COc1ccccc1OC(=O)/C=C(\C)C(C)(C)C ZINC000742494160 585127258 /nfs/dbraw/zinc/12/72/58/585127258.db2.gz HTQIYKDDAYAATI-ZHACJKMWSA-N 0 0 248.322 3.593 20 0 BHADRN O=C(CCCC1CCCC1)Oc1ccccc1 ZINC000742494226 585127123 /nfs/dbraw/zinc/12/71/23/585127123.db2.gz KPYBESYTANMWHO-UHFFFAOYSA-N 0 0 232.323 3.953 20 0 BHADRN C/C(=C/C(=O)Oc1ccc(F)cc1)C(C)(C)C ZINC000742494454 585127293 /nfs/dbraw/zinc/12/72/93/585127293.db2.gz MBMYTAJIKKZOSD-KTKRTIGZSA-N 0 0 236.286 3.724 20 0 BHADRN C/C(=C\C(=O)Oc1ccc(F)cc1)C(C)(C)C ZINC000742494459 585127241 /nfs/dbraw/zinc/12/72/41/585127241.db2.gz MBMYTAJIKKZOSD-MDZDMXLPSA-N 0 0 236.286 3.724 20 0 BHADRN C/C(=C/C(=O)Oc1ccccc1)C(C)(C)C ZINC000742494524 585127116 /nfs/dbraw/zinc/12/71/16/585127116.db2.gz OGNPZLVXDIDBTR-KHPPLWFESA-N 0 0 218.296 3.584 20 0 BHADRN C/C(=C\C(=O)Oc1ccccc1)C(C)(C)C ZINC000742494525 585127128 /nfs/dbraw/zinc/12/71/28/585127128.db2.gz OGNPZLVXDIDBTR-ZHACJKMWSA-N 0 0 218.296 3.584 20 0 BHADRN C/C(=C/C(=O)Oc1ccc(C)cc1)C(C)(C)C ZINC000742494577 585127265 /nfs/dbraw/zinc/12/72/65/585127265.db2.gz PZVBJVOTFMDQBZ-BENRWUELSA-N 0 0 232.323 3.893 20 0 BHADRN C/C(=C\C(=O)Oc1ccc(C)cc1)C(C)(C)C ZINC000742494579 585127263 /nfs/dbraw/zinc/12/72/63/585127263.db2.gz PZVBJVOTFMDQBZ-ZRDIBKRKSA-N 0 0 232.323 3.893 20 0 BHADRN C/C(=C\C(=O)Oc1cccc(F)c1)C(C)(C)C ZINC000742494657 585127143 /nfs/dbraw/zinc/12/71/43/585127143.db2.gz SXGTWFKPBXDFAU-CSKARUKUSA-N 0 0 236.286 3.724 20 0 BHADRN C/C(=C/C(=O)Oc1cccc(F)c1)C(C)(C)C ZINC000742494658 585127094 /nfs/dbraw/zinc/12/70/94/585127094.db2.gz SXGTWFKPBXDFAU-NTMALXAHSA-N 0 0 236.286 3.724 20 0 BHADRN Cc1ccc(OC(=O)c2cc(C)cc(F)c2)cc1 ZINC000742494678 585127249 /nfs/dbraw/zinc/12/72/49/585127249.db2.gz UJVXEZJVOWQFQA-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN O=C(/C=C\C1CC1)Nc1cccc2ccccc21 ZINC000742495570 585127248 /nfs/dbraw/zinc/12/72/48/585127248.db2.gz CFJLIEGCXQDNAD-KHPPLWFESA-N 0 0 237.302 3.745 20 0 BHADRN O=C(CC1CCC1)Oc1ccc2ccccc2c1 ZINC000742496926 585127292 /nfs/dbraw/zinc/12/72/92/585127292.db2.gz FMFCYVXIKRFVMK-UHFFFAOYSA-N 0 0 240.302 3.935 20 0 BHADRN O=C(CC1CCC1)Oc1cccc2ccccc21 ZINC000742497541 585127151 /nfs/dbraw/zinc/12/71/51/585127151.db2.gz JXUAWHDNZZDHHO-UHFFFAOYSA-N 0 0 240.302 3.935 20 0 BHADRN O=C(/C=C\C1CC1)Oc1cccc2ccccc21 ZINC000742497605 585127247 /nfs/dbraw/zinc/12/72/47/585127247.db2.gz LECANNMYUWAZDO-KHPPLWFESA-N 0 0 238.286 3.711 20 0 BHADRN O=C(/C=C/C1CC1)Oc1cccc2ccccc21 ZINC000742497606 585127278 /nfs/dbraw/zinc/12/72/78/585127278.db2.gz LECANNMYUWAZDO-ZHACJKMWSA-N 0 0 238.286 3.711 20 0 BHADRN O=C(/C=C/C1CC1)Oc1ccc2ccccc2c1 ZINC000742498142 585127198 /nfs/dbraw/zinc/12/71/98/585127198.db2.gz MRBLPUOXIWGDET-JXMROGBWSA-N 0 0 238.286 3.711 20 0 BHADRN O=C(/C=C\C1CC1)Oc1ccc2ccccc2c1 ZINC000742498143 585127186 /nfs/dbraw/zinc/12/71/86/585127186.db2.gz MRBLPUOXIWGDET-YFHOEESVSA-N 0 0 238.286 3.711 20 0 BHADRN Cc1cc(OC(=O)/C=C/C2CC2)ccc1C(C)C ZINC000742499269 585127115 /nfs/dbraw/zinc/12/71/15/585127115.db2.gz WAPLBZDSVNNTJH-RMKNXTFCSA-N 0 0 244.334 3.990 20 0 BHADRN Cc1cc(OC(=O)/C=C\C2CC2)ccc1C(C)C ZINC000742499271 585127180 /nfs/dbraw/zinc/12/71/80/585127180.db2.gz WAPLBZDSVNNTJH-TWGQIWQCSA-N 0 0 244.334 3.990 20 0 BHADRN Cc1cc(F)cc(C(=O)N2CCCCCCC2)c1 ZINC000742503090 585127335 /nfs/dbraw/zinc/12/73/35/585127335.db2.gz JUQIXGZSERYGTR-UHFFFAOYSA-N 0 0 249.329 3.540 20 0 BHADRN C/C(=C\C(=O)N1CCCCCCC1)C(C)(C)C ZINC000742507085 585127321 /nfs/dbraw/zinc/12/73/21/585127321.db2.gz TTYOUWFIOZATBS-OUKQBFOZSA-N 0 0 237.387 3.772 20 0 BHADRN C/C(=C/C(=O)N1CCCCCCC1)C(C)(C)C ZINC000742507087 585127381 /nfs/dbraw/zinc/12/73/81/585127381.db2.gz TTYOUWFIOZATBS-SEYXRHQNSA-N 0 0 237.387 3.772 20 0 BHADRN CCC[C@@H](NC(=O)/C=C\C1CC1)c1ccccc1 ZINC000742507770 585127397 /nfs/dbraw/zinc/12/73/97/585127397.db2.gz LCWBJMGMINOFOS-QYMJWVLRSA-N 0 0 243.350 3.610 20 0 BHADRN CCC[C@H](NC(=O)/C=C\C1CC1)c1ccccc1 ZINC000742507771 585127317 /nfs/dbraw/zinc/12/73/17/585127317.db2.gz LCWBJMGMINOFOS-SSCKCOOKSA-N 0 0 243.350 3.610 20 0 BHADRN C/C(=C/C(=O)N(C)C1CCCCC1)C(C)(C)C ZINC000742509120 585127358 /nfs/dbraw/zinc/12/73/58/585127358.db2.gz BZQYWLIOHLUCMD-QXMHVHEDSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1ccccn1 ZINC000742509122 585127153 /nfs/dbraw/zinc/12/71/53/585127153.db2.gz CAZJZEZEOBETPP-GFCCVEGCSA-N 0 0 234.343 3.627 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1ccccn1 ZINC000742509123 585127246 /nfs/dbraw/zinc/12/72/46/585127246.db2.gz CAZJZEZEOBETPP-LBPRGKRZSA-N 0 0 234.343 3.627 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1C2CCC1CC2 ZINC000742509235 585127391 /nfs/dbraw/zinc/12/73/91/585127391.db2.gz ILKNFXPRTSCAKS-HSBZDZAISA-N 0 0 237.387 3.746 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1C2CCC1CC2 ZINC000742509236 585127408 /nfs/dbraw/zinc/12/74/08/585127408.db2.gz ILKNFXPRTSCAKS-IYXRBSQSSA-N 0 0 237.387 3.746 20 0 BHADRN CCCCCC[C@](C)(CCC)C(=O)N(C)OC ZINC000742510653 585127361 /nfs/dbraw/zinc/12/73/61/585127361.db2.gz OZQBLZJBKIWAJS-AWEZNQCLSA-N 0 0 243.391 3.783 20 0 BHADRN CCCCCC[C@@](C)(CCC)C(=O)N(C)OC ZINC000742510654 585127426 /nfs/dbraw/zinc/12/74/26/585127426.db2.gz OZQBLZJBKIWAJS-CQSZACIVSA-N 0 0 243.391 3.783 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C)C1CCCC1 ZINC000742510908 585127466 /nfs/dbraw/zinc/12/74/66/585127466.db2.gz PFXLTKHTBNOKJP-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C)C1CCCC1 ZINC000742510910 585127506 /nfs/dbraw/zinc/12/75/06/585127506.db2.gz PFXLTKHTBNOKJP-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCCNC(=O)/C=C(/C)C(C)(C)C ZINC000742511039 585127366 /nfs/dbraw/zinc/12/73/66/585127366.db2.gz MEQCNRPFMVJJCM-QXMHVHEDSA-N 0 0 225.376 3.675 20 0 BHADRN CCCCCCNC(=O)/C=C(\C)C(C)(C)C ZINC000742511041 585127444 /nfs/dbraw/zinc/12/74/44/585127444.db2.gz MEQCNRPFMVJJCM-VAWYXSNFSA-N 0 0 225.376 3.675 20 0 BHADRN CCCCCC[C@](C)(CCC)C(=O)NOCC ZINC000742511519 585127431 /nfs/dbraw/zinc/12/74/31/585127431.db2.gz QWALZGQIZOOELY-AWEZNQCLSA-N 0 0 243.391 3.831 20 0 BHADRN CCCCCC[C@@](C)(CCC)C(=O)NOCC ZINC000742511520 585127504 /nfs/dbraw/zinc/12/75/04/585127504.db2.gz QWALZGQIZOOELY-CQSZACIVSA-N 0 0 243.391 3.831 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@H](C)CCC ZINC000742512431 585127327 /nfs/dbraw/zinc/12/73/27/585127327.db2.gz GXWLNINOSXBJGR-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@@H](C)CCC ZINC000742512432 585127472 /nfs/dbraw/zinc/12/74/72/585127472.db2.gz GXWLNINOSXBJGR-OLZOCXBDSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@H](C)CCC ZINC000742512433 585127420 /nfs/dbraw/zinc/12/74/20/585127420.db2.gz GXWLNINOSXBJGR-QWHCGFSZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H](C)CCC ZINC000742512434 585127374 /nfs/dbraw/zinc/12/73/74/585127374.db2.gz GXWLNINOSXBJGR-STQMWFEESA-N 0 0 227.392 3.898 20 0 BHADRN C/C(=C/C(=O)N[C@H](C)CCC(C)C)C(C)(C)C ZINC000742512802 585127437 /nfs/dbraw/zinc/12/74/37/585127437.db2.gz JVSZTTJLUGIORU-KXXVWKPMSA-N 0 0 239.403 3.920 20 0 BHADRN C/C(=C\C(=O)N[C@H](C)CCC(C)C)C(C)(C)C ZINC000742512803 585127385 /nfs/dbraw/zinc/12/73/85/585127385.db2.gz JVSZTTJLUGIORU-RSKUSDAESA-N 0 0 239.403 3.920 20 0 BHADRN C/C(=C/C(=O)N[C@@H](C)CCC(C)C)C(C)(C)C ZINC000742512804 585127401 /nfs/dbraw/zinc/12/74/01/585127401.db2.gz JVSZTTJLUGIORU-UKVQZPPCSA-N 0 0 239.403 3.920 20 0 BHADRN C/C(=C\C(=O)N[C@@H](C)CCC(C)C)C(C)(C)C ZINC000742512805 585127458 /nfs/dbraw/zinc/12/74/58/585127458.db2.gz JVSZTTJLUGIORU-XSNHNAGMSA-N 0 0 239.403 3.920 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)NCC1CC1 ZINC000742516396 585127393 /nfs/dbraw/zinc/12/73/93/585127393.db2.gz SJPCREGIGRBHFD-HNNXBMFYSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)NCC1CC1 ZINC000742516397 585127355 /nfs/dbraw/zinc/12/73/55/585127355.db2.gz SJPCREGIGRBHFD-OAHLLOKOSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCC[C@](C)(CCC)C(=O)NCC ZINC000742517137 585127319 /nfs/dbraw/zinc/12/73/19/585127319.db2.gz BLYMYVDMFLNCSW-AWEZNQCLSA-N 0 0 227.392 3.899 20 0 BHADRN CCCCCC[C@@](C)(CCC)C(=O)NCC ZINC000742517138 585127455 /nfs/dbraw/zinc/12/74/55/585127455.db2.gz BLYMYVDMFLNCSW-CQSZACIVSA-N 0 0 227.392 3.899 20 0 BHADRN CCCCCC[C@](C)(CCC)C(=O)N(C)C ZINC000742517804 585127400 /nfs/dbraw/zinc/12/74/00/585127400.db2.gz RDJXITOWYCRZHD-AWEZNQCLSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCCC[C@@](C)(CCC)C(=O)N(C)C ZINC000742517805 585127484 /nfs/dbraw/zinc/12/74/84/585127484.db2.gz RDJXITOWYCRZHD-CQSZACIVSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(CC)C1CC1 ZINC000742518127 585127473 /nfs/dbraw/zinc/12/74/73/585127473.db2.gz JBCCWKMHUDTLEI-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(CC)C1CC1 ZINC000742518128 585127435 /nfs/dbraw/zinc/12/74/35/585127435.db2.gz JBCCWKMHUDTLEI-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC(C)(C)CC ZINC000742518404 585127407 /nfs/dbraw/zinc/12/74/07/585127407.db2.gz AUOLOMJTPNZDKO-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC(C)(C)CC ZINC000742518405 585127197 /nfs/dbraw/zinc/12/71/97/585127197.db2.gz AUOLOMJTPNZDKO-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN C/C(=C/C(=O)NCc1cccc(C)c1)C(C)(C)C ZINC000742518609 585127459 /nfs/dbraw/zinc/12/74/59/585127459.db2.gz LZOCOOYHSZUFTA-RAXLEYEMSA-N 0 0 245.366 3.604 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C)CCCC ZINC000742519184 585127670 /nfs/dbraw/zinc/12/76/70/585127670.db2.gz JJYIYUNKWAKEGY-CYBMUJFWSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C)CCCC ZINC000742519186 585127666 /nfs/dbraw/zinc/12/76/66/585127666.db2.gz JJYIYUNKWAKEGY-ZDUSSCGKSA-N 0 0 227.392 3.851 20 0 BHADRN CC(C)CCCCCCNC(=O)CC1CCC1 ZINC000742520289 585127571 /nfs/dbraw/zinc/12/75/71/585127571.db2.gz DOINQTYUXSZLPJ-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC(C)(C)C ZINC000742520352 585127703 /nfs/dbraw/zinc/12/77/03/585127703.db2.gz XQODMXJDOSWCCN-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC(C)(C)C ZINC000742520353 585127712 /nfs/dbraw/zinc/12/77/12/585127712.db2.gz XQODMXJDOSWCCN-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CC(C)CCCCCCNC(=O)/C=C\C1CC1 ZINC000742521112 585127513 /nfs/dbraw/zinc/12/75/13/585127513.db2.gz RWXLTHJIUWNHQU-KHPPLWFESA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)CCCCCCNC(=O)/C=C/C1CC1 ZINC000742521113 585127588 /nfs/dbraw/zinc/12/75/88/585127588.db2.gz RWXLTHJIUWNHQU-ZHACJKMWSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C/C(=O)NCCC1CCCC1)C(C)(C)C ZINC000742521562 585127699 /nfs/dbraw/zinc/12/76/99/585127699.db2.gz YZCCVZRKZFZUON-QXMHVHEDSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C\C(=O)NCCC1CCCC1)C(C)(C)C ZINC000742521723 585127599 /nfs/dbraw/zinc/12/75/99/585127599.db2.gz YZCCVZRKZFZUON-VAWYXSNFSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C\C(=O)N(CC(C)C)C1CC1)C(C)(C)C ZINC000742521836 585127683 /nfs/dbraw/zinc/12/76/83/585127683.db2.gz JTKCTGWHPKBVBD-FMIVXFBMSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(=O)N(CC(C)C)C1CC1)C(C)(C)C ZINC000742521839 585127672 /nfs/dbraw/zinc/12/76/72/585127672.db2.gz JTKCTGWHPKBVBD-XFXZXTDPSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(=O)N(C)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000742521928 585127650 /nfs/dbraw/zinc/12/76/50/585127650.db2.gz KSLQOLQBSRCJKY-HCRIHEDKSA-N 0 0 239.403 3.872 20 0 BHADRN C/C(=C\C(=O)N(C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742521929 585127204 /nfs/dbraw/zinc/12/72/04/585127204.db2.gz KSLQOLQBSRCJKY-IIANPFDCSA-N 0 0 239.403 3.872 20 0 BHADRN C/C(=C/C(=O)N(C)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000742521931 585127274 /nfs/dbraw/zinc/12/72/74/585127274.db2.gz KSLQOLQBSRCJKY-NLYDNYMLSA-N 0 0 239.403 3.872 20 0 BHADRN C/C(=C/C(=O)N(C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742521932 585127271 /nfs/dbraw/zinc/12/72/71/585127271.db2.gz KSLQOLQBSRCJKY-WEHUKYGOSA-N 0 0 239.403 3.872 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1ccc(C)cn1 ZINC000742523724 585127540 /nfs/dbraw/zinc/12/75/40/585127540.db2.gz GCYXJWYNXSZESP-GFCCVEGCSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1ccc(C)cn1 ZINC000742523725 585127706 /nfs/dbraw/zinc/12/77/06/585127706.db2.gz GCYXJWYNXSZESP-LBPRGKRZSA-N 0 0 248.370 3.935 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)/C=C\C1CC1 ZINC000742523851 585127527 /nfs/dbraw/zinc/12/75/27/585127527.db2.gz GTMOPVLAEFIPOV-MCZKDORBSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)/C=C/C1CC1 ZINC000742523852 585127530 /nfs/dbraw/zinc/12/75/30/585127530.db2.gz GTMOPVLAEFIPOV-SNESEAJLSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C\C1CC1 ZINC000742523853 585127684 /nfs/dbraw/zinc/12/76/84/585127684.db2.gz GTMOPVLAEFIPOV-WQRZCLJYSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/C1CC1 ZINC000742523854 585127704 /nfs/dbraw/zinc/12/77/04/585127704.db2.gz GTMOPVLAEFIPOV-ZICGXABRSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000742524578 585127675 /nfs/dbraw/zinc/12/76/75/585127675.db2.gz ORIHTWUQSDOSGV-KLOBIAMYSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCC[C@H](C)C1)C(C)(C)C ZINC000742524579 585127582 /nfs/dbraw/zinc/12/75/82/585127582.db2.gz ORIHTWUQSDOSGV-WEVJOFGFSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000742524583 585127710 /nfs/dbraw/zinc/12/77/10/585127710.db2.gz ORIHTWUQSDOSGV-ZGDCTCODSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@@H]1CCC[C@H](C)C1)C(C)(C)C ZINC000742524585 585127430 /nfs/dbraw/zinc/12/74/30/585127430.db2.gz ORIHTWUQSDOSGV-ZWRVYWDGSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(=O)NCCCC(C)C)C(C)(C)C ZINC000742525354 585127594 /nfs/dbraw/zinc/12/75/94/585127594.db2.gz APYZTKPIIPLTTB-BENRWUELSA-N 0 0 225.376 3.531 20 0 BHADRN C/C(=C\C(=O)NCCCC(C)C)C(C)(C)C ZINC000742525356 585127644 /nfs/dbraw/zinc/12/76/44/585127644.db2.gz APYZTKPIIPLTTB-ZRDIBKRKSA-N 0 0 225.376 3.531 20 0 BHADRN C/C(=C\C(=O)N(C)[C@H](C)c1ccco1)C(C)(C)C ZINC000742525680 585127667 /nfs/dbraw/zinc/12/76/67/585127667.db2.gz FUHINLLVEYAGRW-HCRIHEDKSA-N 0 0 249.354 3.791 20 0 BHADRN C/C(=C\C(=O)N(C)[C@@H](C)c1ccco1)C(C)(C)C ZINC000742525681 585127648 /nfs/dbraw/zinc/12/76/48/585127648.db2.gz FUHINLLVEYAGRW-IIANPFDCSA-N 0 0 249.354 3.791 20 0 BHADRN C/C(=C/C(=O)N(C)[C@H](C)c1ccco1)C(C)(C)C ZINC000742525682 585127637 /nfs/dbraw/zinc/12/76/37/585127637.db2.gz FUHINLLVEYAGRW-NLYDNYMLSA-N 0 0 249.354 3.791 20 0 BHADRN C/C(=C/C(=O)N(C)[C@@H](C)c1ccco1)C(C)(C)C ZINC000742525683 585127566 /nfs/dbraw/zinc/12/75/66/585127566.db2.gz FUHINLLVEYAGRW-WEHUKYGOSA-N 0 0 249.354 3.791 20 0 BHADRN CCN(C(=O)/C=C/C1CC1)c1cc(C)cc(C)c1 ZINC000742526613 585127555 /nfs/dbraw/zinc/12/75/55/585127555.db2.gz CPUWTLRLEYNJQB-BQYQJAHWSA-N 0 0 243.350 3.623 20 0 BHADRN CCN(C(=O)/C=C\C1CC1)c1cc(C)cc(C)c1 ZINC000742526614 585127558 /nfs/dbraw/zinc/12/75/58/585127558.db2.gz CPUWTLRLEYNJQB-FPLPWBNLSA-N 0 0 243.350 3.623 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(CC)CCC ZINC000742526843 585127692 /nfs/dbraw/zinc/12/76/92/585127692.db2.gz HHFQLNZCWQKLSA-CYBMUJFWSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(CC)CCC ZINC000742526844 585127676 /nfs/dbraw/zinc/12/76/76/585127676.db2.gz HHFQLNZCWQKLSA-ZDUSSCGKSA-N 0 0 227.392 3.851 20 0 BHADRN CCN(C(=O)/C=C/C1CC1)c1ccc(Cl)cc1 ZINC000742526984 585127688 /nfs/dbraw/zinc/12/76/88/585127688.db2.gz DWIBHGHUJUQJHD-BJMVGYQFSA-N 0 0 249.741 3.659 20 0 BHADRN CCN(C(=O)/C=C\C1CC1)c1ccc(Cl)cc1 ZINC000742526985 585127655 /nfs/dbraw/zinc/12/76/55/585127655.db2.gz DWIBHGHUJUQJHD-YHYXMXQVSA-N 0 0 249.741 3.659 20 0 BHADRN CCN(C(=O)/C=C/C1CC1)c1cccc(Cl)c1 ZINC000742527115 585127643 /nfs/dbraw/zinc/12/76/43/585127643.db2.gz HKMRJRLMCLNBCR-CMDGGOBGSA-N 0 0 249.741 3.659 20 0 BHADRN CCN(C(=O)/C=C\C1CC1)c1cccc(Cl)c1 ZINC000742527116 585127516 /nfs/dbraw/zinc/12/75/16/585127516.db2.gz HKMRJRLMCLNBCR-HJWRWDBZSA-N 0 0 249.741 3.659 20 0 BHADRN CCc1ccc(N(CC)C(=O)CC2CCC2)cc1 ZINC000742527754 582682874 /nfs/dbraw/zinc/68/28/74/582682874.db2.gz MAMLOJKPRYSGEQ-UHFFFAOYSA-N 0 0 245.366 3.792 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)N(C)CC ZINC000742527777 585127678 /nfs/dbraw/zinc/12/76/78/585127678.db2.gz MGTHBYBTTMNPRL-AWEZNQCLSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)N(C)CC ZINC000742527778 585127550 /nfs/dbraw/zinc/12/75/50/585127550.db2.gz MGTHBYBTTMNPRL-CQSZACIVSA-N 0 0 227.392 3.851 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C(\C)C(C)(C)C ZINC000742527789 585127580 /nfs/dbraw/zinc/12/75/80/585127580.db2.gz MQURNFIDPASSRE-JLHYYAGUSA-N 0 0 239.403 3.873 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C(/C)C(C)(C)C ZINC000742527790 585127629 /nfs/dbraw/zinc/12/76/29/585127629.db2.gz MQURNFIDPASSRE-RAXLEYEMSA-N 0 0 239.403 3.873 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C)CC(C)C ZINC000742527796 585127551 /nfs/dbraw/zinc/12/75/51/585127551.db2.gz MSVDVLFDQIQRSJ-CYBMUJFWSA-N 0 0 227.392 3.707 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C)CC(C)C ZINC000742527797 585127641 /nfs/dbraw/zinc/12/76/41/585127641.db2.gz MSVDVLFDQIQRSJ-ZDUSSCGKSA-N 0 0 227.392 3.707 20 0 BHADRN CCN(C(=O)CC1CCC1)c1ccc(C)cc1 ZINC000742528010 585127662 /nfs/dbraw/zinc/12/76/62/585127662.db2.gz NWJDJIWRCDVLFE-UHFFFAOYSA-N 0 0 231.339 3.538 20 0 BHADRN CCc1ccc(N(CC)C(=O)/C=C/C2CC2)cc1 ZINC000742528018 585127583 /nfs/dbraw/zinc/12/75/83/585127583.db2.gz OCDMMWJDNKQVMU-FMIVXFBMSA-N 0 0 243.350 3.568 20 0 BHADRN CCc1ccc(N(CC)C(=O)/C=C\C2CC2)cc1 ZINC000742528019 585127642 /nfs/dbraw/zinc/12/76/42/585127642.db2.gz OCDMMWJDNKQVMU-XFXZXTDPSA-N 0 0 243.350 3.568 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NCC1CCCC1 ZINC000742529051 585127625 /nfs/dbraw/zinc/12/76/25/585127625.db2.gz FWBSNVSCFCUJFX-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@H](C)CC(=O)NCC1CCCC1 ZINC000742529052 585127646 /nfs/dbraw/zinc/12/76/46/585127646.db2.gz FWBSNVSCFCUJFX-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCN(C(=O)/C=C(/C)C(C)(C)C)C1CC1 ZINC000742529592 585127742 /nfs/dbraw/zinc/12/77/42/585127742.db2.gz YGCNJJXSGAKYSA-QXMHVHEDSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCN(C(=O)/C=C(\C)C(C)(C)C)C1CC1 ZINC000742529593 585127924 /nfs/dbraw/zinc/12/79/24/585127924.db2.gz YGCNJJXSGAKYSA-VAWYXSNFSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C\C(=O)N([C@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000742533722 585127811 /nfs/dbraw/zinc/12/78/11/585127811.db2.gz QCBPLRZAAVTPER-HCRIHEDKSA-N 0 0 249.398 3.768 20 0 BHADRN C/C(=C\C(=O)N([C@@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000742533723 585127725 /nfs/dbraw/zinc/12/77/25/585127725.db2.gz QCBPLRZAAVTPER-IIANPFDCSA-N 0 0 249.398 3.768 20 0 BHADRN C/C(=C/C(=O)N([C@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000742533724 585127886 /nfs/dbraw/zinc/12/78/86/585127886.db2.gz QCBPLRZAAVTPER-NLYDNYMLSA-N 0 0 249.398 3.768 20 0 BHADRN C/C(=C/C(=O)N([C@@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000742533725 585127750 /nfs/dbraw/zinc/12/77/50/585127750.db2.gz QCBPLRZAAVTPER-WEHUKYGOSA-N 0 0 249.398 3.768 20 0 BHADRN CC[C@@H]1CCCN(C(=O)/C=C(/C)C(C)(C)C)C1 ZINC000742534794 585127841 /nfs/dbraw/zinc/12/78/41/585127841.db2.gz LGZGDVMIWZIKSQ-KXXVWKPMSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@@H]1CCCN(C(=O)/C=C(\C)C(C)(C)C)C1 ZINC000742534795 585127816 /nfs/dbraw/zinc/12/78/16/585127816.db2.gz LGZGDVMIWZIKSQ-RSKUSDAESA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@H]1CCCN(C(=O)/C=C(/C)C(C)(C)C)C1 ZINC000742534796 585127758 /nfs/dbraw/zinc/12/77/58/585127758.db2.gz LGZGDVMIWZIKSQ-UKVQZPPCSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@H]1CCCN(C(=O)/C=C(\C)C(C)(C)C)C1 ZINC000742534797 585127740 /nfs/dbraw/zinc/12/77/40/585127740.db2.gz LGZGDVMIWZIKSQ-XSNHNAGMSA-N 0 0 237.387 3.627 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NCC1CCC1 ZINC000742534924 585127878 /nfs/dbraw/zinc/12/78/78/585127878.db2.gz OQCWQRDASIIILE-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCC[C@H](C)CC(=O)NCC1CCC1 ZINC000742534925 585127892 /nfs/dbraw/zinc/12/78/92/585127892.db2.gz OQCWQRDASIIILE-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN C/C(=C\C(=O)N(CC1CC1)C(C)C)C(C)(C)C ZINC000742535660 585127868 /nfs/dbraw/zinc/12/78/68/585127868.db2.gz BIQCENLKGWTJDY-FMIVXFBMSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(=O)N(CC1CC1)C(C)C)C(C)(C)C ZINC000742535662 585127880 /nfs/dbraw/zinc/12/78/80/585127880.db2.gz BIQCENLKGWTJDY-XFXZXTDPSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)/C=C\C1CC1 ZINC000742536221 585127849 /nfs/dbraw/zinc/12/78/49/585127849.db2.gz IAFJIEVTCPPMNM-CGHRENIUSA-N 0 0 249.398 3.530 20 0 BHADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)/C=C/C1CC1 ZINC000742536222 585127783 /nfs/dbraw/zinc/12/77/83/585127783.db2.gz IAFJIEVTCPPMNM-HFSQDINGSA-N 0 0 249.398 3.530 20 0 BHADRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)/C=C\C1CC1 ZINC000742536223 585127929 /nfs/dbraw/zinc/12/79/29/585127929.db2.gz IAFJIEVTCPPMNM-ICQFZSFKSA-N 0 0 249.398 3.530 20 0 BHADRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)/C=C/C1CC1 ZINC000742536224 585127821 /nfs/dbraw/zinc/12/78/21/585127821.db2.gz IAFJIEVTCPPMNM-XKMBLQBNSA-N 0 0 249.398 3.530 20 0 BHADRN C/C(=C/C(=O)NCCC(C)(C)C)C(C)(C)C ZINC000742536282 585127720 /nfs/dbraw/zinc/12/77/20/585127720.db2.gz IAUVBPWCSKXECM-KHPPLWFESA-N 0 0 225.376 3.531 20 0 BHADRN C/C(=C\C(=O)NCCC(C)(C)C)C(C)(C)C ZINC000742536283 585127871 /nfs/dbraw/zinc/12/78/71/585127871.db2.gz IAUVBPWCSKXECM-ZHACJKMWSA-N 0 0 225.376 3.531 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C)[C@H](C)C1CC1 ZINC000742536315 585127861 /nfs/dbraw/zinc/12/78/61/585127861.db2.gz JCLSMBYTSAXAHU-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C)[C@@H](C)C1CC1 ZINC000742536316 585127793 /nfs/dbraw/zinc/12/77/93/585127793.db2.gz JCLSMBYTSAXAHU-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C)[C@H](C)C1CC1 ZINC000742536317 585127910 /nfs/dbraw/zinc/12/79/10/585127910.db2.gz JCLSMBYTSAXAHU-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C)[C@@H](C)C1CC1 ZINC000742536318 585127846 /nfs/dbraw/zinc/12/78/46/585127846.db2.gz JCLSMBYTSAXAHU-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)/C=C(\C)C(C)(C)C ZINC000742539866 585127817 /nfs/dbraw/zinc/12/78/17/585127817.db2.gz WAWQGBKIKYJOOK-HCRIHEDKSA-N 0 0 225.376 3.626 20 0 BHADRN CCC[C@H](C)N(C)C(=O)/C=C(\C)C(C)(C)C ZINC000742539868 585127926 /nfs/dbraw/zinc/12/79/26/585127926.db2.gz WAWQGBKIKYJOOK-IIANPFDCSA-N 0 0 225.376 3.626 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)/C=C(/C)C(C)(C)C ZINC000742539870 585127882 /nfs/dbraw/zinc/12/78/82/585127882.db2.gz WAWQGBKIKYJOOK-NLYDNYMLSA-N 0 0 225.376 3.626 20 0 BHADRN CCC[C@H](C)N(C)C(=O)/C=C(/C)C(C)(C)C ZINC000742539871 585127798 /nfs/dbraw/zinc/12/77/98/585127798.db2.gz WAWQGBKIKYJOOK-WEHUKYGOSA-N 0 0 225.376 3.626 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1cc(C)ccn1 ZINC000742544151 585127990 /nfs/dbraw/zinc/12/79/90/585127990.db2.gz CTYQPSKYKIRQFG-GFCCVEGCSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1cc(C)ccn1 ZINC000742544152 585128051 /nfs/dbraw/zinc/12/80/51/585128051.db2.gz CTYQPSKYKIRQFG-LBPRGKRZSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1cccc(C)n1 ZINC000742545159 585128040 /nfs/dbraw/zinc/12/80/40/585128040.db2.gz OBYLMVITIAOIGF-GFCCVEGCSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1cccc(C)n1 ZINC000742545160 585128127 /nfs/dbraw/zinc/12/81/27/585128127.db2.gz OBYLMVITIAOIGF-LBPRGKRZSA-N 0 0 248.370 3.935 20 0 BHADRN CCN(C(=O)/C=C(/C)C(C)(C)C)C1CCCC1 ZINC000742546567 585127944 /nfs/dbraw/zinc/12/79/44/585127944.db2.gz RPDHJTDLJQWGPX-QXMHVHEDSA-N 0 0 237.387 3.770 20 0 BHADRN CCN(C(=O)/C=C(\C)C(C)(C)C)C1CCCC1 ZINC000742546568 585127982 /nfs/dbraw/zinc/12/79/82/585127982.db2.gz RPDHJTDLJQWGPX-VAWYXSNFSA-N 0 0 237.387 3.770 20 0 BHADRN O=C(/C=C/C1CC1)N1CCC[C@@H]1C1CCCCC1 ZINC000742559848 585128129 /nfs/dbraw/zinc/12/81/29/585128129.db2.gz YEAGRAOAQPLXFP-AUECHBEKSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C\C1CC1)N1CCC[C@@H]1C1CCCCC1 ZINC000742559849 585127993 /nfs/dbraw/zinc/12/79/93/585127993.db2.gz YEAGRAOAQPLXFP-JQPIKURYSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C/C1CC1)N1CCC[C@H]1C1CCCCC1 ZINC000742559850 585128151 /nfs/dbraw/zinc/12/81/51/585128151.db2.gz YEAGRAOAQPLXFP-NKSUMMKUSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C\C1CC1)N1CCC[C@H]1C1CCCCC1 ZINC000742559851 585128058 /nfs/dbraw/zinc/12/80/58/585128058.db2.gz YEAGRAOAQPLXFP-WOLCWHLNSA-N 0 0 247.382 3.524 20 0 BHADRN C/C(=C/C(=O)N(C)c1ccc(F)cc1)C(C)(C)C ZINC000742560889 585128143 /nfs/dbraw/zinc/12/81/43/585128143.db2.gz BLALGMAUDHFVJW-KHPPLWFESA-N 0 0 249.329 3.781 20 0 BHADRN C/C(=C\C(=O)N(C)c1ccc(F)cc1)C(C)(C)C ZINC000742560890 585128077 /nfs/dbraw/zinc/12/80/77/585128077.db2.gz BLALGMAUDHFVJW-ZHACJKMWSA-N 0 0 249.329 3.781 20 0 BHADRN CCC1CCN(C(=O)/C=C(/C)C(C)(C)C)CC1 ZINC000742563667 585128013 /nfs/dbraw/zinc/12/80/13/585128013.db2.gz OAXILDINNNBVPQ-QXMHVHEDSA-N 0 0 237.387 3.627 20 0 BHADRN CCC1CCN(C(=O)/C=C(\C)C(C)(C)C)CC1 ZINC000742563668 585128146 /nfs/dbraw/zinc/12/81/46/585128146.db2.gz OAXILDINNNBVPQ-VAWYXSNFSA-N 0 0 237.387 3.627 20 0 BHADRN O=C(/C=C/C1CC1)N(CC1CCCCC1)C1CC1 ZINC000742564585 585128096 /nfs/dbraw/zinc/12/80/96/585128096.db2.gz WCTNIEQDPXYWBD-DHZHZOJOSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C\C1CC1)N(CC1CCCCC1)C1CC1 ZINC000742564586 585128128 /nfs/dbraw/zinc/12/81/28/585128128.db2.gz WCTNIEQDPXYWBD-FLIBITNWSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(CC1CCC1)NCC1CCCCCCC1 ZINC000742564863 585127940 /nfs/dbraw/zinc/12/79/40/585127940.db2.gz IFCAZOYKBFBEBD-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CCN(C(=O)/C=C/C1CC1)c1ccc(C)cc1C ZINC000742565879 585128007 /nfs/dbraw/zinc/12/80/07/585128007.db2.gz HYSRCSCVFWOQKN-CSKARUKUSA-N 0 0 243.350 3.623 20 0 BHADRN CCN(C(=O)/C=C\C1CC1)c1ccc(C)cc1C ZINC000742565880 585128008 /nfs/dbraw/zinc/12/80/08/585128008.db2.gz HYSRCSCVFWOQKN-NTMALXAHSA-N 0 0 243.350 3.623 20 0 BHADRN CCN(C(=O)/C=C\C1CC1)c1cc(C)ccc1C ZINC000742566359 585128200 /nfs/dbraw/zinc/12/82/00/585128200.db2.gz VVUKUUDTESXZOH-KTKRTIGZSA-N 0 0 243.350 3.623 20 0 BHADRN CCN(C(=O)/C=C/C1CC1)c1cc(C)ccc1C ZINC000742566361 585128380 /nfs/dbraw/zinc/12/83/80/585128380.db2.gz VVUKUUDTESXZOH-MDZDMXLPSA-N 0 0 243.350 3.623 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(CC)C(C)C ZINC000742566392 585128187 /nfs/dbraw/zinc/12/81/87/585128187.db2.gz WBXGLIVOUFRSPJ-CYBMUJFWSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(CC)C(C)C ZINC000742566395 585128289 /nfs/dbraw/zinc/12/82/89/585128289.db2.gz WBXGLIVOUFRSPJ-ZDUSSCGKSA-N 0 0 227.392 3.850 20 0 BHADRN C/C(=C/C(=O)NC1(C)CCCCC1)C(C)(C)C ZINC000742571371 585128332 /nfs/dbraw/zinc/12/83/32/585128332.db2.gz KINAJMMQPNQEAL-QXMHVHEDSA-N 0 0 237.387 3.818 20 0 BHADRN C/C(=C\C(=O)NC1(C)CCCCC1)C(C)(C)C ZINC000742571372 585128193 /nfs/dbraw/zinc/12/81/93/585128193.db2.gz KINAJMMQPNQEAL-VAWYXSNFSA-N 0 0 237.387 3.818 20 0 BHADRN CCCN(CC1CCCCC1)C(=O)/C=C\C1CC1 ZINC000742571857 585128347 /nfs/dbraw/zinc/12/83/47/585128347.db2.gz YCPKVKMCYOYJIP-KHPPLWFESA-N 0 0 249.398 3.772 20 0 BHADRN CCCN(CC1CCCCC1)C(=O)/C=C/C1CC1 ZINC000742571858 585128327 /nfs/dbraw/zinc/12/83/27/585128327.db2.gz YCPKVKMCYOYJIP-ZHACJKMWSA-N 0 0 249.398 3.772 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)NC2(C)CCCCC2)o1 ZINC000742571899 585128342 /nfs/dbraw/zinc/12/83/42/585128342.db2.gz ZEJCJYBVLJRYOR-GFCCVEGCSA-N 0 0 249.354 3.531 20 0 BHADRN Cc1ccc([C@H](C)C(=O)NC2(C)CCCCC2)o1 ZINC000742571900 585128300 /nfs/dbraw/zinc/12/83/00/585128300.db2.gz ZEJCJYBVLJRYOR-LBPRGKRZSA-N 0 0 249.354 3.531 20 0 BHADRN CCN(C(=O)/C=C\C1CC1)c1cccc(C)c1C ZINC000742576652 585128367 /nfs/dbraw/zinc/12/83/67/585128367.db2.gz FVHJLGADNRRHQG-KHPPLWFESA-N 0 0 243.350 3.623 20 0 BHADRN CCN(C(=O)/C=C/C1CC1)c1cccc(C)c1C ZINC000742576654 585128311 /nfs/dbraw/zinc/12/83/11/585128311.db2.gz FVHJLGADNRRHQG-ZHACJKMWSA-N 0 0 243.350 3.623 20 0 BHADRN C/C(=C/C(=O)N(C)Cc1ccoc1C)C(C)(C)C ZINC000742578520 585128399 /nfs/dbraw/zinc/12/83/99/585128399.db2.gz NIZAOCNWYBCVQK-LUAWRHEFSA-N 0 0 249.354 3.539 20 0 BHADRN C/C(=C\C(=O)N(C)Cc1ccoc1C)C(C)(C)C ZINC000742578521 585128218 /nfs/dbraw/zinc/12/82/18/585128218.db2.gz NIZAOCNWYBCVQK-PKNBQFBNSA-N 0 0 249.354 3.539 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NCC(C)(C)C ZINC000742579627 585128310 /nfs/dbraw/zinc/12/83/10/585128310.db2.gz XISSZZAINOTYQO-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@H](C)CC(=O)NCC(C)(C)C ZINC000742579628 585128198 /nfs/dbraw/zinc/12/81/98/585128198.db2.gz XISSZZAINOTYQO-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC[C@@H](C)C1CC1 ZINC000742581410 585128534 /nfs/dbraw/zinc/12/85/34/585128534.db2.gz CHFVADUKSUHIEF-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC[C@H](C)C1CC1 ZINC000742581411 585128560 /nfs/dbraw/zinc/12/85/60/585128560.db2.gz CHFVADUKSUHIEF-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC[C@@H](C)C1CC1 ZINC000742581412 585128518 /nfs/dbraw/zinc/12/85/18/585128518.db2.gz CHFVADUKSUHIEF-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC[C@H](C)C1CC1 ZINC000742581413 585128507 /nfs/dbraw/zinc/12/85/07/585128507.db2.gz CHFVADUKSUHIEF-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)/C=C(\C)C(C)(C)C ZINC000742583930 585128592 /nfs/dbraw/zinc/12/85/92/585128592.db2.gz UPVNUNZLGLJBTJ-BJLXZBBLSA-N 0 0 225.376 3.530 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)/C=C(\C)C(C)(C)C ZINC000742583931 585128444 /nfs/dbraw/zinc/12/84/44/585128444.db2.gz UPVNUNZLGLJBTJ-CLCRQULESA-N 0 0 225.376 3.530 20 0 BHADRN CC[C@H](C)[C@@H](C)NC(=O)/C=C(/C)C(C)(C)C ZINC000742583933 585128448 /nfs/dbraw/zinc/12/84/48/585128448.db2.gz UPVNUNZLGLJBTJ-CNQYLEGHSA-N 0 0 225.376 3.530 20 0 BHADRN CC[C@H](C)[C@H](C)NC(=O)/C=C(/C)C(C)(C)C ZINC000742583935 585128582 /nfs/dbraw/zinc/12/85/82/585128582.db2.gz UPVNUNZLGLJBTJ-JHSTVQJJSA-N 0 0 225.376 3.530 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@@H]1C(C)C)C(C)(C)C ZINC000742584659 585128158 /nfs/dbraw/zinc/12/81/58/585128158.db2.gz YZIQONUPLNLWIB-KXXVWKPMSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@@H]1C(C)C)C(C)(C)C ZINC000742584660 585128030 /nfs/dbraw/zinc/12/80/30/585128030.db2.gz YZIQONUPLNLWIB-RSKUSDAESA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@H]1C(C)C)C(C)(C)C ZINC000742584661 585127995 /nfs/dbraw/zinc/12/79/95/585127995.db2.gz YZIQONUPLNLWIB-UKVQZPPCSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@H]1C(C)C)C(C)(C)C ZINC000742584662 585128126 /nfs/dbraw/zinc/12/81/26/585128126.db2.gz YZIQONUPLNLWIB-XSNHNAGMSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)c1cccc(N(C)C(=O)/C=C\C2CC2)c1 ZINC000742584748 585128473 /nfs/dbraw/zinc/12/84/73/585128473.db2.gz YNBJUAFPIOUIRU-KTKRTIGZSA-N 0 0 243.350 3.739 20 0 BHADRN CC(C)c1cccc(N(C)C(=O)/C=C/C2CC2)c1 ZINC000742584749 585128563 /nfs/dbraw/zinc/12/85/63/585128563.db2.gz YNBJUAFPIOUIRU-MDZDMXLPSA-N 0 0 243.350 3.739 20 0 BHADRN CCCCC1CCC(NC(=O)/C=C/C2CC2)CC1 ZINC000742584786 585128525 /nfs/dbraw/zinc/12/85/25/585128525.db2.gz ZHRZETVQLPXVDR-FMIVXFBMSA-N 0 0 249.398 3.818 20 0 BHADRN CCCCC1CCC(NC(=O)/C=C\C2CC2)CC1 ZINC000742584787 585128609 /nfs/dbraw/zinc/12/86/09/585128609.db2.gz ZHRZETVQLPXVDR-XFXZXTDPSA-N 0 0 249.398 3.818 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)N(C)C1CC1 ZINC000742587061 585128510 /nfs/dbraw/zinc/12/85/10/585128510.db2.gz XWCWSZJATVFXFD-HNNXBMFYSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)N(C)C1CC1 ZINC000742587062 585128455 /nfs/dbraw/zinc/12/84/55/585128455.db2.gz XWCWSZJATVFXFD-OAHLLOKOSA-N 0 0 239.403 3.994 20 0 BHADRN CC1CCC(N(C(=O)/C=C/C2CC2)C2CC2)CC1 ZINC000742591233 585128469 /nfs/dbraw/zinc/12/84/69/585128469.db2.gz XHQNAFDPJMLLCR-IZZDOVSWSA-N 0 0 247.382 3.522 20 0 BHADRN CC1CCC(N(C(=O)/C=C\C2CC2)C2CC2)CC1 ZINC000742591234 585128581 /nfs/dbraw/zinc/12/85/81/585128581.db2.gz XHQNAFDPJMLLCR-WDZFZDKYSA-N 0 0 247.382 3.522 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@H](C)CC1)C(C)(C)C ZINC000742593637 585128446 /nfs/dbraw/zinc/12/84/46/585128446.db2.gz RKHCLAKMWBERPA-KLDSGFLGSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@@H](C)CC1)C(C)(C)C ZINC000742593638 585128489 /nfs/dbraw/zinc/12/84/89/585128489.db2.gz RKHCLAKMWBERPA-NPRUJURCSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@H](C)CC1)C(C)(C)C ZINC000742593639 585128577 /nfs/dbraw/zinc/12/85/77/585128577.db2.gz RKHCLAKMWBERPA-OWRWYXLESA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@@H](C)CC1)C(C)(C)C ZINC000742593640 585128610 /nfs/dbraw/zinc/12/86/10/585128610.db2.gz RKHCLAKMWBERPA-RVROTUBLSA-N 0 0 237.387 3.627 20 0 BHADRN CCC[C@@H](CC)NC(=O)/C=C(\C)C(C)(C)C ZINC000742593847 585128467 /nfs/dbraw/zinc/12/84/67/585128467.db2.gz VRMKPRMTBSNRBF-HCRIHEDKSA-N 0 0 225.376 3.674 20 0 BHADRN CCC[C@H](CC)NC(=O)/C=C(\C)C(C)(C)C ZINC000742593848 585128475 /nfs/dbraw/zinc/12/84/75/585128475.db2.gz VRMKPRMTBSNRBF-IIANPFDCSA-N 0 0 225.376 3.674 20 0 BHADRN CCC[C@@H](CC)NC(=O)/C=C(/C)C(C)(C)C ZINC000742593849 585128418 /nfs/dbraw/zinc/12/84/18/585128418.db2.gz VRMKPRMTBSNRBF-NLYDNYMLSA-N 0 0 225.376 3.674 20 0 BHADRN CCC[C@H](CC)NC(=O)/C=C(/C)C(C)(C)C ZINC000742593850 585128580 /nfs/dbraw/zinc/12/85/80/585128580.db2.gz VRMKPRMTBSNRBF-WEHUKYGOSA-N 0 0 225.376 3.674 20 0 BHADRN C/C(=C/C(=O)N(C)CC1CCCC1)C(C)(C)C ZINC000742595273 585128517 /nfs/dbraw/zinc/12/85/17/585128517.db2.gz LBHJRCXAWVVIDJ-BENRWUELSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(=O)N(C)CC1CCCC1)C(C)(C)C ZINC000742595276 585128500 /nfs/dbraw/zinc/12/85/00/585128500.db2.gz LBHJRCXAWVVIDJ-ZRDIBKRKSA-N 0 0 237.387 3.627 20 0 BHADRN CCCCN(C(=O)/C=C\C1CC1)C1CCCCC1 ZINC000742595962 585128828 /nfs/dbraw/zinc/12/88/28/585128828.db2.gz NAKLQWSFBVBKBT-QXMHVHEDSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCN(C(=O)/C=C/C1CC1)C1CCCCC1 ZINC000742595965 585128694 /nfs/dbraw/zinc/12/86/94/585128694.db2.gz NAKLQWSFBVBKBT-VAWYXSNFSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)CCN(C(=O)/C=C\C1CC1)C1CCCC1 ZINC000742596706 585128622 /nfs/dbraw/zinc/12/86/22/585128622.db2.gz WQLVZDNACOLAPS-KTKRTIGZSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)CCN(C(=O)/C=C/C1CC1)C1CCCC1 ZINC000742596707 585128635 /nfs/dbraw/zinc/12/86/35/585128635.db2.gz WQLVZDNACOLAPS-MDZDMXLPSA-N 0 0 249.398 3.770 20 0 BHADRN CCCC(C)(C)NC(=O)/C=C(\C)C(C)(C)C ZINC000742600838 585128672 /nfs/dbraw/zinc/12/86/72/585128672.db2.gz VYEDWGKIUWOJAW-ZHACJKMWSA-N 0 0 225.376 3.674 20 0 BHADRN C/C(=C/C(=O)N(C)C(C1CC1)C1CC1)C(C)(C)C ZINC000742600945 585128645 /nfs/dbraw/zinc/12/86/45/585128645.db2.gz AJELTMVWQKNTPQ-KHPPLWFESA-N 0 0 249.398 3.626 20 0 BHADRN C/C(=C\C(=O)N(C)C(C1CC1)C1CC1)C(C)(C)C ZINC000742600947 585128824 /nfs/dbraw/zinc/12/88/24/585128824.db2.gz AJELTMVWQKNTPQ-ZHACJKMWSA-N 0 0 249.398 3.626 20 0 BHADRN CN(C(=O)/C=C\C1CC1)C1CCCCCCC1 ZINC000742604099 585128621 /nfs/dbraw/zinc/12/86/21/585128621.db2.gz QKHWQFZDJZPOOM-QXMHVHEDSA-N 0 0 235.371 3.524 20 0 BHADRN CN(C(=O)/C=C/C1CC1)C1CCCCCCC1 ZINC000742604101 585128787 /nfs/dbraw/zinc/12/87/87/585128787.db2.gz QKHWQFZDJZPOOM-VAWYXSNFSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C)[C@H](C)CC ZINC000742606478 585128738 /nfs/dbraw/zinc/12/87/38/585128738.db2.gz KSLANNNZXCHTJP-CHWSQXEVSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C)[C@@H](C)CC ZINC000742606479 585128788 /nfs/dbraw/zinc/12/87/88/585128788.db2.gz KSLANNNZXCHTJP-OLZOCXBDSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C)[C@H](C)CC ZINC000742606480 585128756 /nfs/dbraw/zinc/12/87/56/585128756.db2.gz KSLANNNZXCHTJP-QWHCGFSZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C)[C@@H](C)CC ZINC000742606481 585128829 /nfs/dbraw/zinc/12/88/29/585128829.db2.gz KSLANNNZXCHTJP-STQMWFEESA-N 0 0 227.392 3.850 20 0 BHADRN C/C(=C/C(=O)N(CC(C)C)C(C)C)C(C)(C)C ZINC000742606811 585128677 /nfs/dbraw/zinc/12/86/77/585128677.db2.gz POHLHHBSWMUZAO-LCYFTJDESA-N 0 0 239.403 3.872 20 0 BHADRN C/C(=C\C(=O)N(CC(C)C)C(C)C)C(C)(C)C ZINC000742606812 585128769 /nfs/dbraw/zinc/12/87/69/585128769.db2.gz POHLHHBSWMUZAO-UKTHLTGXSA-N 0 0 239.403 3.872 20 0 BHADRN CCN(Cc1ccoc1)C(=O)/C=C(\C)C(C)(C)C ZINC000742617015 585129026 /nfs/dbraw/zinc/12/90/26/585129026.db2.gz LLTFEIFRFYEGRC-FMIVXFBMSA-N 0 0 249.354 3.621 20 0 BHADRN O=C(/C=C\C1CC1)N1CCC2(CCCCC2)CC1 ZINC000742617144 585129025 /nfs/dbraw/zinc/12/90/25/585129025.db2.gz FEVOIRYSRAUKIS-SREVYHEPSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(/C=C/C1CC1)N1CCC2(CCCCC2)CC1 ZINC000742617145 585128963 /nfs/dbraw/zinc/12/89/63/585128963.db2.gz FEVOIRYSRAUKIS-VOTSOKGWSA-N 0 0 247.382 3.526 20 0 BHADRN C/C(=C/C(=O)N(C)c1ccccc1F)C(C)(C)C ZINC000742617625 585128924 /nfs/dbraw/zinc/12/89/24/585128924.db2.gz UQMDIVWMVMKSSL-KHPPLWFESA-N 0 0 249.329 3.781 20 0 BHADRN C/C(=C\C(=O)N(C)c1ccccc1F)C(C)(C)C ZINC000742617627 585128976 /nfs/dbraw/zinc/12/89/76/585128976.db2.gz UQMDIVWMVMKSSL-ZHACJKMWSA-N 0 0 249.329 3.781 20 0 BHADRN C/C(=C/C(=O)N1CCC(C)(C)CC1)C(C)(C)C ZINC000742618833 585129021 /nfs/dbraw/zinc/12/90/21/585129021.db2.gz KIWFGAHQRUREIH-QXMHVHEDSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(=O)N1CCC(C)(C)CC1)C(C)(C)C ZINC000742618834 585129050 /nfs/dbraw/zinc/12/90/50/585129050.db2.gz KIWFGAHQRUREIH-VAWYXSNFSA-N 0 0 237.387 3.627 20 0 BHADRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)/C=C\C1CC1 ZINC000742626890 585128854 /nfs/dbraw/zinc/12/88/54/585128854.db2.gz BBSWCTUBORLDTG-ACVZPDSXSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)/C=C\C1CC1 ZINC000742626891 585128974 /nfs/dbraw/zinc/12/89/74/585128974.db2.gz BBSWCTUBORLDTG-UBGRJXSISA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)/C=C/C1CC1 ZINC000742626892 585128910 /nfs/dbraw/zinc/12/89/10/585128910.db2.gz BBSWCTUBORLDTG-WWUQSUGHSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)/C=C/C1CC1 ZINC000742626893 585128936 /nfs/dbraw/zinc/12/89/36/585128936.db2.gz BBSWCTUBORLDTG-XXQUSICCSA-N 0 0 249.398 3.674 20 0 BHADRN O=C(/C=C\C1CC1)N(CC1CC1)C1CCCCC1 ZINC000742627198 585128975 /nfs/dbraw/zinc/12/89/75/585128975.db2.gz HCLFFASLPMMUFU-KHPPLWFESA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C/C1CC1)N(CC1CC1)C1CCCCC1 ZINC000742627201 585128948 /nfs/dbraw/zinc/12/89/48/585128948.db2.gz HCLFFASLPMMUFU-ZHACJKMWSA-N 0 0 247.382 3.524 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1C ZINC000742628238 585129028 /nfs/dbraw/zinc/12/90/28/585129028.db2.gz RRFISFYERVETHA-NFAWXSAZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1CC ZINC000742628273 585128872 /nfs/dbraw/zinc/12/88/72/585128872.db2.gz UEKBDKIOCXPPEA-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1CC ZINC000742628274 585128851 /nfs/dbraw/zinc/12/88/51/585128851.db2.gz UEKBDKIOCXPPEA-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC[C@H]1CC ZINC000742628275 585129048 /nfs/dbraw/zinc/12/90/48/585129048.db2.gz UEKBDKIOCXPPEA-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC[C@H]1CC ZINC000742628276 585128944 /nfs/dbraw/zinc/12/89/44/585128944.db2.gz UEKBDKIOCXPPEA-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C(C)C)C1CC1 ZINC000742629196 585128923 /nfs/dbraw/zinc/12/89/23/585128923.db2.gz AONYIIDFXALRHN-CYBMUJFWSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C(C)C)C1CC1 ZINC000742629197 585128957 /nfs/dbraw/zinc/12/89/57/585128957.db2.gz AONYIIDFXALRHN-ZDUSSCGKSA-N 0 0 239.403 3.992 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@@H]1C1CCC1)C(C)(C)C ZINC000742629200 585128918 /nfs/dbraw/zinc/12/89/18/585128918.db2.gz ARNWVIYHTHWLFA-GCZGRYASSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@H]1C1CCC1)C(C)(C)C ZINC000742629201 585128929 /nfs/dbraw/zinc/12/89/29/585128929.db2.gz ARNWVIYHTHWLFA-GETOMWPZSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@H]1C1CCC1)C(C)(C)C ZINC000742629202 585128855 /nfs/dbraw/zinc/12/88/55/585128855.db2.gz ARNWVIYHTHWLFA-NYHXXUGCSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@@H]1C1CCC1)C(C)(C)C ZINC000742629203 585128862 /nfs/dbraw/zinc/12/88/62/585128862.db2.gz ARNWVIYHTHWLFA-XMXAVACDSA-N 0 0 249.398 3.770 20 0 BHADRN CCC[C@@H](NC(=O)/C=C/C1CC1)C1CCCCC1 ZINC000742630126 585129253 /nfs/dbraw/zinc/12/92/53/585129253.db2.gz MPEDTOXYRAUAMG-AYJWMTRPSA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@@H](NC(=O)/C=C\C1CC1)C1CCCCC1 ZINC000742630128 585129259 /nfs/dbraw/zinc/12/92/59/585129259.db2.gz MPEDTOXYRAUAMG-QYMJWVLRSA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@H](NC(=O)/C=C/C1CC1)C1CCCCC1 ZINC000742630129 585129101 /nfs/dbraw/zinc/12/91/01/585129101.db2.gz MPEDTOXYRAUAMG-RUMSDORHSA-N 0 0 249.398 3.818 20 0 BHADRN CCC[C@H](NC(=O)/C=C\C1CC1)C1CCCCC1 ZINC000742630132 585129072 /nfs/dbraw/zinc/12/90/72/585129072.db2.gz MPEDTOXYRAUAMG-SSCKCOOKSA-N 0 0 249.398 3.818 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCCC1(C)C ZINC000742630844 585129231 /nfs/dbraw/zinc/12/92/31/585129231.db2.gz JIGHJOCVYCVMLM-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCCC1(C)C ZINC000742630845 585129285 /nfs/dbraw/zinc/12/92/85/585129285.db2.gz JIGHJOCVYCVMLM-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN C/C(=C/C(=O)NC(C)(C)C(C)C)C(C)(C)C ZINC000742631882 585129273 /nfs/dbraw/zinc/12/92/73/585129273.db2.gz VBAYZNIUTOXEPM-LUAWRHEFSA-N 0 0 225.376 3.530 20 0 BHADRN C/C(=C\C(=O)NC(C)(C)C(C)C)C(C)(C)C ZINC000742631883 585129153 /nfs/dbraw/zinc/12/91/53/585129153.db2.gz VBAYZNIUTOXEPM-PKNBQFBNSA-N 0 0 225.376 3.530 20 0 BHADRN C/C(=C/C(=O)N1[C@H](C)CCC[C@@H]1C)C(C)(C)C ZINC000742633526 585129167 /nfs/dbraw/zinc/12/91/67/585129167.db2.gz OLMIEZGJIBMSSK-HNDWPLSKSA-N 0 0 237.387 3.768 20 0 BHADRN C/C(=C/C(=O)N1[C@H](C)CCC[C@H]1C)C(C)(C)C ZINC000742633527 585129225 /nfs/dbraw/zinc/12/92/25/585129225.db2.gz OLMIEZGJIBMSSK-QVDRPMGRSA-N 0 0 237.387 3.768 20 0 BHADRN C/C(=C/C(=O)N(C1CC1)C1CCCC1)C(C)(C)C ZINC000742633839 585129172 /nfs/dbraw/zinc/12/91/72/585129172.db2.gz SOVZVMQKRAGDPI-QXMHVHEDSA-N 0 0 249.398 3.912 20 0 BHADRN C/C(=C\C(=O)N(C1CC1)C1CCCC1)C(C)(C)C ZINC000742633840 585129059 /nfs/dbraw/zinc/12/90/59/585129059.db2.gz SOVZVMQKRAGDPI-VAWYXSNFSA-N 0 0 249.398 3.912 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(CCC)C1CC1 ZINC000742636785 585129115 /nfs/dbraw/zinc/12/91/15/585129115.db2.gz RIINQWJPRVCQCZ-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(CCC)C1CC1 ZINC000742636786 585129232 /nfs/dbraw/zinc/12/92/32/585129232.db2.gz RIINQWJPRVCQCZ-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)/C=C/C1CC1 ZINC000742637161 585129133 /nfs/dbraw/zinc/12/91/33/585129133.db2.gz VPKJTNVBCKGKOO-BQYQJAHWSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)/C=C\C1CC1 ZINC000742637162 585129077 /nfs/dbraw/zinc/12/90/77/585129077.db2.gz VPKJTNVBCKGKOO-FPLPWBNLSA-N 0 0 237.387 3.530 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H]1CCC[C@H]1C ZINC000742641884 585129422 /nfs/dbraw/zinc/12/94/22/585129422.db2.gz BNDCSSIFQOIOFD-BFHYXJOUSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@H]1CCC[C@@H]1C ZINC000742641885 585129513 /nfs/dbraw/zinc/12/95/13/585129513.db2.gz BNDCSSIFQOIOFD-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]1C ZINC000742641886 585129495 /nfs/dbraw/zinc/12/94/95/585129495.db2.gz BNDCSSIFQOIOFD-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@H]1CCC[C@H]1C ZINC000742641887 585129463 /nfs/dbraw/zinc/12/94/63/585129463.db2.gz BNDCSSIFQOIOFD-MJBXVCDLSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(CC)CNC(=O)/C=C(/C)C(C)(C)C ZINC000742642138 585129406 /nfs/dbraw/zinc/12/94/06/585129406.db2.gz ORKZDTQMEVTQFA-LUAWRHEFSA-N 0 0 225.376 3.531 20 0 BHADRN CCC(CC)CNC(=O)/C=C(\C)C(C)(C)C ZINC000742642475 585129451 /nfs/dbraw/zinc/12/94/51/585129451.db2.gz ORKZDTQMEVTQFA-PKNBQFBNSA-N 0 0 225.376 3.531 20 0 BHADRN C/C(=C\C(=O)N1Cc2ccccc2C1)C(C)(C)C ZINC000742643628 585129369 /nfs/dbraw/zinc/12/93/69/585129369.db2.gz QCSSTAQDZJNMOR-FMIVXFBMSA-N 0 0 243.350 3.521 20 0 BHADRN C/C(=C/C(=O)N1Cc2ccccc2C1)C(C)(C)C ZINC000742643629 585129089 /nfs/dbraw/zinc/12/90/89/585129089.db2.gz QCSSTAQDZJNMOR-XFXZXTDPSA-N 0 0 243.350 3.521 20 0 BHADRN C/C(=C/C(=O)N[C@H]1CC[C@H](C)CC1)C(C)(C)C ZINC000742649536 585129313 /nfs/dbraw/zinc/12/93/13/585129313.db2.gz NVFBMSOHHNYUMG-CIGWVICQSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@H]1CC[C@H](C)CC1)C(C)(C)C ZINC000742649537 585129397 /nfs/dbraw/zinc/12/93/97/585129397.db2.gz NVFBMSOHHNYUMG-VEHXCMFHSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(=O)NCC1(C)CCCC1)C(C)(C)C ZINC000742657970 585129701 /nfs/dbraw/zinc/12/97/01/585129701.db2.gz UQWAGMWLOAILCX-BENRWUELSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C\C(=O)NCC1(C)CCCC1)C(C)(C)C ZINC000742657971 585129658 /nfs/dbraw/zinc/12/96/58/585129658.db2.gz UQWAGMWLOAILCX-ZRDIBKRKSA-N 0 0 237.387 3.675 20 0 BHADRN Cc1ccc(Cl)c(Oc2nccs2)c1 ZINC000742663508 585129632 /nfs/dbraw/zinc/12/96/32/585129632.db2.gz RBUCOKOQOOQJRK-UHFFFAOYSA-N 0 0 225.700 3.897 20 0 BHADRN O=C(/C=C\C1CC1)N1CCCC2(CCCCC2)C1 ZINC000742664753 585129742 /nfs/dbraw/zinc/12/97/42/585129742.db2.gz WEUIAGVZJGAXAU-FPLPWBNLSA-N 0 0 247.382 3.526 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(CC)CC1CC1 ZINC000742666580 585129564 /nfs/dbraw/zinc/12/95/64/585129564.db2.gz YXEGQZUIDQUDCV-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(CC)CC1CC1 ZINC000742666581 585129671 /nfs/dbraw/zinc/12/96/71/585129671.db2.gz YXEGQZUIDQUDCV-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC[C@H]1CC1(C)C ZINC000742666891 585129643 /nfs/dbraw/zinc/12/96/43/585129643.db2.gz LONNBSIKGMRUNH-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC[C@@H]1CC1(C)C ZINC000742666892 585129604 /nfs/dbraw/zinc/12/96/04/585129604.db2.gz LONNBSIKGMRUNH-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC[C@H]1CC1(C)C ZINC000742666893 585129759 /nfs/dbraw/zinc/12/97/59/585129759.db2.gz LONNBSIKGMRUNH-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC[C@@H]1CC1(C)C ZINC000742666895 585129609 /nfs/dbraw/zinc/12/96/09/585129609.db2.gz LONNBSIKGMRUNH-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN C/C(=C/C(=O)N1CCCC(C)(C)C1)C(C)(C)C ZINC000742669600 585129697 /nfs/dbraw/zinc/12/96/97/585129697.db2.gz XVHWGTDHAJGNII-BENRWUELSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(=O)N1CCCC(C)(C)C1)C(C)(C)C ZINC000742669602 585129656 /nfs/dbraw/zinc/12/96/56/585129656.db2.gz XVHWGTDHAJGNII-ZRDIBKRKSA-N 0 0 237.387 3.627 20 0 BHADRN Cc1ccc(N(C)C(=O)/C=C/C2CC2)cc1Cl ZINC000742672122 585129718 /nfs/dbraw/zinc/12/97/18/585129718.db2.gz BUPODMDCZHHPAY-SOFGYWHQSA-N 0 0 249.741 3.577 20 0 BHADRN Cc1ccc(N(C)C(=O)/C=C\C2CC2)cc1Cl ZINC000742672123 585129664 /nfs/dbraw/zinc/12/96/64/585129664.db2.gz BUPODMDCZHHPAY-VURMDHGXSA-N 0 0 249.741 3.577 20 0 BHADRN CCC(C)(CC)NC(=O)/C=C(\C)C(C)(C)C ZINC000742673343 585129836 /nfs/dbraw/zinc/12/98/36/585129836.db2.gz YITPTKNQNANPLF-ZHACJKMWSA-N 0 0 225.376 3.674 20 0 BHADRN C/C(=C/C(=O)N1CCCCC[C@@H]1C)C(C)(C)C ZINC000742677247 585129881 /nfs/dbraw/zinc/12/98/81/585129881.db2.gz NDCMFZWYVMDTNU-HHQWOOOKSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C\C(=O)N1CCCCC[C@H]1C)C(C)(C)C ZINC000742677250 585130014 /nfs/dbraw/zinc/13/00/14/585130014.db2.gz NDCMFZWYVMDTNU-XZHRJIJLSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C/C(=O)N1CCCCC[C@H]1C)C(C)(C)C ZINC000742677251 585129824 /nfs/dbraw/zinc/12/98/24/585129824.db2.gz NDCMFZWYVMDTNU-YLGBQOPLSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C\C(=O)N1CCCCC[C@@H]1C)C(C)(C)C ZINC000742677254 585129796 /nfs/dbraw/zinc/12/97/96/585129796.db2.gz NDCMFZWYVMDTNU-YLSINNKHSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C\C(=O)NC[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742678602 585129996 /nfs/dbraw/zinc/12/99/96/585129996.db2.gz ZRWJSKJVOIDRLQ-LMMOQWNQSA-N 0 0 239.403 3.777 20 0 BHADRN C/C(=C/C(=O)NC[C@H](C)C(C)(C)C)C(C)(C)C ZINC000742678604 585129949 /nfs/dbraw/zinc/12/99/49/585129949.db2.gz ZRWJSKJVOIDRLQ-MMRAYRKESA-N 0 0 239.403 3.777 20 0 BHADRN C/C(=C/C(=O)NC[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742678605 585129897 /nfs/dbraw/zinc/12/98/97/585129897.db2.gz ZRWJSKJVOIDRLQ-UCQJPZFISA-N 0 0 239.403 3.777 20 0 BHADRN C/C(=C\C(=O)NC[C@H](C)C(C)(C)C)C(C)(C)C ZINC000742678607 585129890 /nfs/dbraw/zinc/12/98/90/585129890.db2.gz ZRWJSKJVOIDRLQ-ZKQHCESOSA-N 0 0 239.403 3.777 20 0 BHADRN C[C@@H](CCC1CCCCC1)NC(=O)/C=C\C1CC1 ZINC000742680810 582738361 /nfs/dbraw/zinc/73/83/61/582738361.db2.gz ZYPGLEAAMBQCQJ-HHQWOOOKSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](CCC1CCCCC1)NC(=O)/C=C/C1CC1 ZINC000742680811 582738523 /nfs/dbraw/zinc/73/85/23/582738523.db2.gz ZYPGLEAAMBQCQJ-XZHRJIJLSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](CCC1CCCCC1)NC(=O)/C=C\C1CC1 ZINC000742680812 582738480 /nfs/dbraw/zinc/73/84/80/582738480.db2.gz ZYPGLEAAMBQCQJ-YLGBQOPLSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H](CCC1CCCCC1)NC(=O)/C=C/C1CC1 ZINC000742680813 582738358 /nfs/dbraw/zinc/73/83/58/582738358.db2.gz ZYPGLEAAMBQCQJ-YLSINNKHSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)(C)[C@H]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC000742681156 585130015 /nfs/dbraw/zinc/13/00/15/585130015.db2.gz AZDPYWWJUJCHQT-CKXPSTMWSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)(C)[C@@H]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000742681157 585129990 /nfs/dbraw/zinc/12/99/90/585129990.db2.gz AZDPYWWJUJCHQT-MYSGNRETSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)(C)[C@@H]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC000742681158 585129816 /nfs/dbraw/zinc/12/98/16/585129816.db2.gz AZDPYWWJUJCHQT-QIAWRQBBSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)(C)[C@H]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000742681159 585129917 /nfs/dbraw/zinc/12/99/17/585129917.db2.gz AZDPYWWJUJCHQT-VFNNOXKTSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C/C(=O)Nc1ccsc1)C(C)(C)C ZINC000742683241 585129944 /nfs/dbraw/zinc/12/99/44/585129944.db2.gz HSXOEHOQXJKCDM-CLFYSBASSA-N 0 0 223.341 3.679 20 0 BHADRN C/C(=C\C(=O)N(CC1CC1)CC1CC1)C(C)(C)C ZINC000742685117 582739048 /nfs/dbraw/zinc/73/90/48/582739048.db2.gz XPZLLHVTWVDQNN-FMIVXFBMSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C/C(=O)N(CC1CC1)CC1CC1)C(C)(C)C ZINC000742685118 582739346 /nfs/dbraw/zinc/73/93/46/582739346.db2.gz XPZLLHVTWVDQNN-XFXZXTDPSA-N 0 0 249.398 3.627 20 0 BHADRN CCC(C)(C)N(C)C(=O)/C=C(/C)C(C)(C)C ZINC000742688654 585129832 /nfs/dbraw/zinc/12/98/32/585129832.db2.gz ATVIOCICYHGRTN-KHPPLWFESA-N 0 0 225.376 3.626 20 0 BHADRN CCC(C)(C)N(C)C(=O)/C=C(\C)C(C)(C)C ZINC000742688655 585130061 /nfs/dbraw/zinc/13/00/61/585130061.db2.gz ATVIOCICYHGRTN-ZHACJKMWSA-N 0 0 225.376 3.626 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NCCCC1CC1 ZINC000742688797 585130153 /nfs/dbraw/zinc/13/01/53/585130153.db2.gz CSNRZOSWPKIWQR-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@H](C)CC(=O)NCCCC1CC1 ZINC000742688798 585130062 /nfs/dbraw/zinc/13/00/62/585130062.db2.gz CSNRZOSWPKIWQR-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@H]1CC=CCC1 ZINC000742690993 585130083 /nfs/dbraw/zinc/13/00/83/585130083.db2.gz HVNOTHNLGORQGQ-KBPBESRZSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@H]1CC=CCC1 ZINC000742690994 585130168 /nfs/dbraw/zinc/13/01/68/585130168.db2.gz HVNOTHNLGORQGQ-KGLIPLIRSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H]1CC=CCC1 ZINC000742690996 585130040 /nfs/dbraw/zinc/13/00/40/585130040.db2.gz HVNOTHNLGORQGQ-UONOGXRCSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@@H]1CC=CCC1 ZINC000742690998 585130078 /nfs/dbraw/zinc/13/00/78/585130078.db2.gz HVNOTHNLGORQGQ-ZIAGYGMSSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(CC)C1CCC1 ZINC000742695864 585130054 /nfs/dbraw/zinc/13/00/54/585130054.db2.gz ZLNANCNVCOMPHW-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(CC)C1CCC1 ZINC000742695866 585130113 /nfs/dbraw/zinc/13/01/13/585130113.db2.gz ZLNANCNVCOMPHW-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN C/C(=C/C(=O)NCCCC(C)(C)C)C(C)(C)C ZINC000742698057 585130143 /nfs/dbraw/zinc/13/01/43/585130143.db2.gz ZYSSVPIUWIMZOL-QXMHVHEDSA-N 0 0 239.403 3.921 20 0 BHADRN C/C(=C\C(=O)NCCCC(C)(C)C)C(C)(C)C ZINC000742698059 585130286 /nfs/dbraw/zinc/13/02/86/585130286.db2.gz ZYSSVPIUWIMZOL-VAWYXSNFSA-N 0 0 239.403 3.921 20 0 BHADRN C/C(=C/C(=O)N(C(C)C)C1CCC1)C(C)(C)C ZINC000742699001 585130322 /nfs/dbraw/zinc/13/03/22/585130322.db2.gz PGCOUYKUUJFXQW-BENRWUELSA-N 0 0 237.387 3.768 20 0 BHADRN C/C(=C\C(=O)N(C(C)C)C1CCC1)C(C)(C)C ZINC000742699003 585130269 /nfs/dbraw/zinc/13/02/69/585130269.db2.gz PGCOUYKUUJFXQW-ZRDIBKRKSA-N 0 0 237.387 3.768 20 0 BHADRN CC(C)C[C@H]1CCCCCN1C(=O)/C=C/C1CC1 ZINC000742699028 585130342 /nfs/dbraw/zinc/13/03/42/585130342.db2.gz XMSYJSYWNWDJLY-BOLDSZDNSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)C[C@@H]1CCCCCN1C(=O)/C=C/C1CC1 ZINC000742699030 585130340 /nfs/dbraw/zinc/13/03/40/585130340.db2.gz XMSYJSYWNWDJLY-FEAKQIBJSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)C[C@H]1CCCCCN1C(=O)/C=C\C1CC1 ZINC000742699032 585130373 /nfs/dbraw/zinc/13/03/73/585130373.db2.gz XMSYJSYWNWDJLY-FJVVXJACSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)C[C@@H]1CCCCCN1C(=O)/C=C\C1CC1 ZINC000742699033 585130363 /nfs/dbraw/zinc/13/03/63/585130363.db2.gz XMSYJSYWNWDJLY-KVPUOBJLSA-N 0 0 249.398 3.770 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1C[C@H](C)C[C@H]1C ZINC000742699253 585130330 /nfs/dbraw/zinc/13/03/30/585130330.db2.gz RDYWXMMXFXJCBE-BFHYXJOUSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1C[C@@H](C)C[C@@H]1C ZINC000742699255 585130374 /nfs/dbraw/zinc/13/03/74/585130374.db2.gz RDYWXMMXFXJCBE-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1C[C@@H](C)C[C@H]1C ZINC000742699256 585130302 /nfs/dbraw/zinc/13/03/02/585130302.db2.gz RDYWXMMXFXJCBE-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1C[C@H](C)C[C@@H]1C ZINC000742699258 585130243 /nfs/dbraw/zinc/13/02/43/585130243.db2.gz RDYWXMMXFXJCBE-MJBXVCDLSA-N 0 0 239.403 3.850 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@H](C)[C@@H]1C)C(C)(C)C ZINC000742701221 585130288 /nfs/dbraw/zinc/13/02/88/585130288.db2.gz FEVRPHFAXHMPRN-IPLAKBNRSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@H](C)[C@@H]1C)C(C)(C)C ZINC000742701222 585130261 /nfs/dbraw/zinc/13/02/61/585130261.db2.gz FEVRPHFAXHMPRN-UYVMEVJISA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@H](C)[C@H]1C)C(C)(C)C ZINC000742701223 585130314 /nfs/dbraw/zinc/13/03/14/585130314.db2.gz FEVRPHFAXHMPRN-WEVJOFGFSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@H](C)[C@H]1C)C(C)(C)C ZINC000742701224 585130267 /nfs/dbraw/zinc/13/02/67/585130267.db2.gz FEVRPHFAXHMPRN-ZWRVYWDGSA-N 0 0 237.387 3.626 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC(C)(C)C1CC1 ZINC000742705358 585130369 /nfs/dbraw/zinc/13/03/69/585130369.db2.gz HJKSIUCXBXRNKL-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC(C)(C)C1CC1 ZINC000742705359 585130241 /nfs/dbraw/zinc/13/02/41/585130241.db2.gz HJKSIUCXBXRNKL-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@@H]2CCC[C@H]21)C(C)(C)C ZINC000742710530 585130418 /nfs/dbraw/zinc/13/04/18/585130418.db2.gz BSSGHNMEHXLASZ-BFPJXGRPSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@@H]2CCC[C@H]21)C(C)(C)C ZINC000742710531 585130271 /nfs/dbraw/zinc/13/02/71/585130271.db2.gz BSSGHNMEHXLASZ-CYUAOAIUSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@@H]2CCC[C@@H]21)C(C)(C)C ZINC000742710532 585130356 /nfs/dbraw/zinc/13/03/56/585130356.db2.gz BSSGHNMEHXLASZ-GHYUOPHCSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@@H]2CCC[C@@H]21)C(C)(C)C ZINC000742710533 585130282 /nfs/dbraw/zinc/13/02/82/585130282.db2.gz BSSGHNMEHXLASZ-HFOMYUCASA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(=O)N1C2CCCC1CCC2)C(C)(C)C ZINC000742712582 585130414 /nfs/dbraw/zinc/13/04/14/585130414.db2.gz MDSQBYNJNCMLAU-QXMHVHEDSA-N 0 0 249.398 3.912 20 0 BHADRN C/C(=C\C(=O)N1C2CCCC1CCC2)C(C)(C)C ZINC000742712584 585130445 /nfs/dbraw/zinc/13/04/45/585130445.db2.gz MDSQBYNJNCMLAU-VAWYXSNFSA-N 0 0 249.398 3.912 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)/C=C\c1ccccc1 ZINC000742719470 585130540 /nfs/dbraw/zinc/13/05/40/585130540.db2.gz ASGONYJPQAKPTO-HBZFWMSSSA-N 0 0 245.366 3.641 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)/C=C/c1ccccc1 ZINC000742719471 585130513 /nfs/dbraw/zinc/13/05/13/585130513.db2.gz ASGONYJPQAKPTO-NKVPIJFCSA-N 0 0 245.366 3.641 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)/C=C/c1ccccc1 ZINC000742719472 585130489 /nfs/dbraw/zinc/13/04/89/585130489.db2.gz ASGONYJPQAKPTO-NXFSIWHZSA-N 0 0 245.366 3.641 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)/C=C\c1ccccc1 ZINC000742719473 585130460 /nfs/dbraw/zinc/13/04/60/585130460.db2.gz ASGONYJPQAKPTO-VSERSJBDSA-N 0 0 245.366 3.641 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)C=C(C1CC1)C1CC1 ZINC000742719809 585130602 /nfs/dbraw/zinc/13/06/02/585130602.db2.gz KRPGYVADVIGLFH-NEPJUHHUSA-N 0 0 249.398 3.674 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C=C(C1CC1)C1CC1 ZINC000742719810 585130522 /nfs/dbraw/zinc/13/05/22/585130522.db2.gz KRPGYVADVIGLFH-NWDGAFQWSA-N 0 0 249.398 3.674 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C=C(C1CC1)C1CC1 ZINC000742719811 585130426 /nfs/dbraw/zinc/13/04/26/585130426.db2.gz KRPGYVADVIGLFH-RYUDHWBXSA-N 0 0 249.398 3.674 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)C=C(C1CC1)C1CC1 ZINC000742719812 585130559 /nfs/dbraw/zinc/13/05/59/585130559.db2.gz KRPGYVADVIGLFH-VXGBXAGGSA-N 0 0 249.398 3.674 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)/C=C(\C)C(C)(C)C ZINC000742719924 585130436 /nfs/dbraw/zinc/13/04/36/585130436.db2.gz MPTHWZWHNTVVPR-IPLAKBNRSA-N 0 0 239.403 3.920 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)/C=C(/C)C(C)(C)C ZINC000742719925 585130527 /nfs/dbraw/zinc/13/05/27/585130527.db2.gz MPTHWZWHNTVVPR-UYVMEVJISA-N 0 0 239.403 3.920 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)/C=C(/C)C(C)(C)C ZINC000742719926 585130612 /nfs/dbraw/zinc/13/06/12/585130612.db2.gz MPTHWZWHNTVVPR-WEVJOFGFSA-N 0 0 239.403 3.920 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)/C=C(\C)C(C)(C)C ZINC000742719927 585130452 /nfs/dbraw/zinc/13/04/52/585130452.db2.gz MPTHWZWHNTVVPR-ZWRVYWDGSA-N 0 0 239.403 3.920 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)C=C1CCCCC1 ZINC000742720058 585130539 /nfs/dbraw/zinc/13/05/39/585130539.db2.gz PDCFJWBNMBZCBC-CHWSQXEVSA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)C=C1CCCCC1 ZINC000742720059 585130569 /nfs/dbraw/zinc/13/05/69/585130569.db2.gz PDCFJWBNMBZCBC-OLZOCXBDSA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C=C1CCCCC1 ZINC000742720060 585130444 /nfs/dbraw/zinc/13/04/44/585130444.db2.gz PDCFJWBNMBZCBC-QWHCGFSZSA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C=C1CCCCC1 ZINC000742720061 585130469 /nfs/dbraw/zinc/13/04/69/585130469.db2.gz PDCFJWBNMBZCBC-STQMWFEESA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC000742720196 585130610 /nfs/dbraw/zinc/13/06/10/585130610.db2.gz RNFXRINJUFQORI-OMJLJAAMSA-N 0 0 225.376 3.530 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC000742720197 585130601 /nfs/dbraw/zinc/13/06/01/585130601.db2.gz RNFXRINJUFQORI-RTVKQWPZSA-N 0 0 225.376 3.530 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)/C=C\C(C)(C)C ZINC000742720198 585130500 /nfs/dbraw/zinc/13/05/00/585130500.db2.gz RNFXRINJUFQORI-RZRXIGATSA-N 0 0 225.376 3.530 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)/C=C/C(C)(C)C ZINC000742720199 585130497 /nfs/dbraw/zinc/13/04/97/585130497.db2.gz RNFXRINJUFQORI-VDTGWRSZSA-N 0 0 225.376 3.530 20 0 BHADRN CCCCCCC(=O)N[C@H](C)C[C@H](C)CC ZINC000742720286 585130596 /nfs/dbraw/zinc/13/05/96/585130596.db2.gz UISRRSGOXRNROB-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCCC(=O)N[C@@H](C)C[C@H](C)CC ZINC000742720287 585130446 /nfs/dbraw/zinc/13/04/46/585130446.db2.gz UISRRSGOXRNROB-OLZOCXBDSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCCC(=O)N[C@H](C)C[C@@H](C)CC ZINC000742720288 585130514 /nfs/dbraw/zinc/13/05/14/585130514.db2.gz UISRRSGOXRNROB-QWHCGFSZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCCC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000742720289 585130629 /nfs/dbraw/zinc/13/06/29/585130629.db2.gz UISRRSGOXRNROB-STQMWFEESA-N 0 0 227.392 3.898 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@H](C)C[C@H](C)CC ZINC000742720432 585130587 /nfs/dbraw/zinc/13/05/87/585130587.db2.gz YBHWRMWZGOFDMS-KLOBIAMYSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@H](C)C[C@@H](C)CC ZINC000742720433 585130585 /nfs/dbraw/zinc/13/05/85/585130585.db2.gz YBHWRMWZGOFDMS-WEVJOFGFSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@H](C)C[C@H](C)CC ZINC000742720434 585130561 /nfs/dbraw/zinc/13/05/61/585130561.db2.gz YBHWRMWZGOFDMS-ZGDCTCODSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@H](C)C[C@@H](C)CC ZINC000742720435 585130524 /nfs/dbraw/zinc/13/05/24/585130524.db2.gz YBHWRMWZGOFDMS-ZWRVYWDGSA-N 0 0 225.376 3.674 20 0 BHADRN CCC(CC)[C@@H](NC(=O)OC)c1ccccc1 ZINC000742752136 585130934 /nfs/dbraw/zinc/13/09/34/585130934.db2.gz YWXKPYRPTGZGJA-CYBMUJFWSA-N 0 0 235.327 3.520 20 0 BHADRN CCC(CC)[C@H](NC(=O)OC)c1ccccc1 ZINC000742752137 585130895 /nfs/dbraw/zinc/13/08/95/585130895.db2.gz YWXKPYRPTGZGJA-ZDUSSCGKSA-N 0 0 235.327 3.520 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NCCC1CC1 ZINC000742777366 585131077 /nfs/dbraw/zinc/13/10/77/585131077.db2.gz BFNDTUHTONFKND-AWEZNQCLSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NCCC1CC1 ZINC000742777367 585131153 /nfs/dbraw/zinc/13/11/53/585131153.db2.gz BFNDTUHTONFKND-CQSZACIVSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)NCCC1CC1 ZINC000742778395 585131173 /nfs/dbraw/zinc/13/11/73/585131173.db2.gz MNKHYGNLPQXJJC-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCC[C@H](C)CC(=O)NCCC1CC1 ZINC000742778396 585131249 /nfs/dbraw/zinc/13/12/49/585131249.db2.gz MNKHYGNLPQXJJC-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC(C2CCCC2)CC1 ZINC000742790240 585131508 /nfs/dbraw/zinc/13/15/08/585131508.db2.gz CCECVNWDLGMNTB-DSXPNFDZSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC(C2CCCC2)CC1 ZINC000742790241 585131467 /nfs/dbraw/zinc/13/14/67/585131467.db2.gz CCECVNWDLGMNTB-OQIXSKIXSA-N 0 0 247.382 3.548 20 0 BHADRN CCC/C=C/C(=O)N1CCC(C2CCCC2)CC1 ZINC000742791101 585131554 /nfs/dbraw/zinc/13/15/54/585131554.db2.gz IHFHYUQTYAKBQV-RUDMXATFSA-N 0 0 249.398 3.772 20 0 BHADRN CCC/C=C\C(=O)N1CCC(C2CCCC2)CC1 ZINC000742791102 585131592 /nfs/dbraw/zinc/13/15/92/585131592.db2.gz IHFHYUQTYAKBQV-WTKPLQERSA-N 0 0 249.398 3.772 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC(C2CCCC2)CC1 ZINC000742791537 585131603 /nfs/dbraw/zinc/13/16/03/585131603.db2.gz PTIJOFPRZQBFKG-AWNIVKPZSA-N 0 0 249.398 3.772 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC(C2CCCC2)CC1 ZINC000742791538 585131461 /nfs/dbraw/zinc/13/14/61/585131461.db2.gz PTIJOFPRZQBFKG-MLPAPPSSSA-N 0 0 249.398 3.772 20 0 BHADRN CCC/C=C\C(=O)N1CCC[C@H](C)[C@H]1CCC ZINC000742797436 585131534 /nfs/dbraw/zinc/13/15/34/585131534.db2.gz CGQHTALQPULGKE-AKXMXHFNSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C=C/C(=O)N1CCC[C@H](C)[C@@H]1CCC ZINC000742797437 585131646 /nfs/dbraw/zinc/13/16/46/585131646.db2.gz CGQHTALQPULGKE-OVGBVBOLSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C=C/C(=O)N1CCC[C@H](C)[C@H]1CCC ZINC000742797438 585131494 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/nfs/dbraw/zinc/14/00/48/585140048.db2.gz BZIHGMBKNRBIQW-LLNWESEBSA-N 0 0 245.366 3.785 20 0 BHADRN CCC[C@@H](CC)NC(=O)/C=C(\C)c1ccccc1 ZINC000743836807 585140005 /nfs/dbraw/zinc/14/00/05/585140005.db2.gz BZIHGMBKNRBIQW-RDRICISKSA-N 0 0 245.366 3.785 20 0 BHADRN CCC[C@@H](CC)NC(=O)/C=C(/C)c1ccccc1 ZINC000743836808 585140107 /nfs/dbraw/zinc/14/01/07/585140107.db2.gz BZIHGMBKNRBIQW-WIDZWVOGSA-N 0 0 245.366 3.785 20 0 BHADRN CCC[C@@H](CC)NC(=O)C=C1CCCCC1 ZINC000743836846 585140098 /nfs/dbraw/zinc/14/00/98/585140098.db2.gz DHDFGDVUSKILMO-CYBMUJFWSA-N 0 0 223.360 3.572 20 0 BHADRN CCC[C@H](CC)NC(=O)C=C1CCCCC1 ZINC000743836847 585139990 /nfs/dbraw/zinc/13/99/90/585139990.db2.gz DHDFGDVUSKILMO-ZDUSSCGKSA-N 0 0 223.360 3.572 20 0 BHADRN CCC[C@@H](CC)NC(=O)/C=C/c1cccc(F)c1 ZINC000743837199 585139941 /nfs/dbraw/zinc/13/99/41/585139941.db2.gz XZDNDRKGQQOBRL-ATWMFIQVSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@@H](CC)NC(=O)/C=C\c1cccc(F)c1 ZINC000743837200 585140029 /nfs/dbraw/zinc/14/00/29/585140029.db2.gz XZDNDRKGQQOBRL-CFYYFVFUSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@H](CC)NC(=O)/C=C\c1cccc(F)c1 ZINC000743837201 585140100 /nfs/dbraw/zinc/14/01/00/585140100.db2.gz XZDNDRKGQQOBRL-CMUBDUJZSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@H](CC)NC(=O)/C=C/c1cccc(F)c1 ZINC000743837202 585139892 /nfs/dbraw/zinc/13/98/92/585139892.db2.gz XZDNDRKGQQOBRL-HBWSCVEGSA-N 0 0 249.329 3.534 20 0 BHADRN C[C@H]1CN(CCCCCCCO)c2ccccc21 ZINC000743840539 585140356 /nfs/dbraw/zinc/14/03/56/585140356.db2.gz NXBZUEPDJJGKRD-AWEZNQCLSA-N 0 0 247.382 3.553 20 0 BHADRN C[C@@H]1CN(CCCCCCCO)c2ccccc21 ZINC000743840541 585140484 /nfs/dbraw/zinc/14/04/84/585140484.db2.gz NXBZUEPDJJGKRD-CQSZACIVSA-N 0 0 247.382 3.553 20 0 BHADRN Cc1ccc(N(C)CCCCCCCO)c(C)c1 ZINC000743840975 585140242 /nfs/dbraw/zinc/14/02/42/585140242.db2.gz AYBQVPMGKYPPQB-UHFFFAOYSA-N 0 0 249.398 3.682 20 0 BHADRN Cc1ccc(N(C)CC2CCC2)cc1C ZINC000743841067 585140289 /nfs/dbraw/zinc/14/02/89/585140289.db2.gz DEJCADIPIIIRDE-UHFFFAOYSA-N 0 0 203.329 3.540 20 0 BHADRN Cc1ccc(N(C)CCC2CC2)c(C)c1 ZINC000743841376 585140263 /nfs/dbraw/zinc/14/02/63/585140263.db2.gz JYOYIXDOTVCLLJ-UHFFFAOYSA-N 0 0 203.329 3.540 20 0 BHADRN Cc1ccc(N(C)CCCCCCCO)cc1C ZINC000743841463 585140515 /nfs/dbraw/zinc/14/05/15/585140515.db2.gz NQUMZFYQUKVEAI-UHFFFAOYSA-N 0 0 249.398 3.682 20 0 BHADRN Cc1ccc(N(C)CC2CCC2)c(C)c1 ZINC000743841673 585140449 /nfs/dbraw/zinc/14/04/49/585140449.db2.gz QVSNBFPDKWYRDS-UHFFFAOYSA-N 0 0 203.329 3.540 20 0 BHADRN Cc1ccc(N(C)CCC2CC2)cc1C ZINC000743841783 585140299 /nfs/dbraw/zinc/14/02/99/585140299.db2.gz WZRGMKABMVRKGB-UHFFFAOYSA-N 0 0 203.329 3.540 20 0 BHADRN Cc1ccc(C)c(N(C)CCCCCCCO)c1 ZINC000743842595 585140561 /nfs/dbraw/zinc/14/05/61/585140561.db2.gz IGSVYJVMYBKIID-UHFFFAOYSA-N 0 0 249.398 3.682 20 0 BHADRN Cc1cc(C)cc(N(C)CCCCCCCO)c1 ZINC000743843191 585140139 /nfs/dbraw/zinc/14/01/39/585140139.db2.gz PSJFOXBXKKZUEY-UHFFFAOYSA-N 0 0 249.398 3.682 20 0 BHADRN Cc1cccc(N(C)CCCCCCCO)c1C ZINC000743843194 585140194 /nfs/dbraw/zinc/14/01/94/585140194.db2.gz PUUQVFBBOVGVFC-UHFFFAOYSA-N 0 0 249.398 3.682 20 0 BHADRN CC(C)c1cnc(C[NH+]2C3CCCC2CCC3)o1 ZINC000743851449 585140974 /nfs/dbraw/zinc/14/09/74/585140974.db2.gz IBGWNPKGUJCCSN-UHFFFAOYSA-N 0 0 248.370 3.705 20 0 BHADRN ClC1(Cl)C[C@@H]1C[NH+]1C2CCCC1CCC2 ZINC000743851551 585140886 /nfs/dbraw/zinc/14/08/86/585140886.db2.gz KLMAVYFTUFFMRR-KPPDAEKUSA-N 0 0 248.197 3.587 20 0 BHADRN ClC1(Cl)C[C@H]1C[NH+]1C2CCCC1CCC2 ZINC000743851553 585141025 /nfs/dbraw/zinc/14/10/25/585141025.db2.gz KLMAVYFTUFFMRR-WHXUTIOJSA-N 0 0 248.197 3.587 20 0 BHADRN O=C(OC1CCCCC1)c1cccc2cc[nH]c21 ZINC000744017373 585141953 /nfs/dbraw/zinc/14/19/53/585141953.db2.gz BOJKSFIOLUIMMQ-UHFFFAOYSA-N 0 0 243.306 3.657 20 0 BHADRN COc1ccc(OC(=O)/C=C(/C)C(C)(C)C)cc1 ZINC000744017407 585142052 /nfs/dbraw/zinc/14/20/52/585142052.db2.gz GBVGWDIYCRLMEA-KHPPLWFESA-N 0 0 248.322 3.593 20 0 BHADRN COc1ccc(OC(=O)/C=C(\C)C(C)(C)C)cc1 ZINC000744017408 585142041 /nfs/dbraw/zinc/14/20/41/585142041.db2.gz GBVGWDIYCRLMEA-ZHACJKMWSA-N 0 0 248.322 3.593 20 0 BHADRN C/C(=C/C(=O)Oc1cccc(C)c1)C(C)(C)C ZINC000744017556 585142043 /nfs/dbraw/zinc/14/20/43/585142043.db2.gz HCWKJVLDVOSXIF-BENRWUELSA-N 0 0 232.323 3.893 20 0 BHADRN C/C(=C\C(=O)Oc1cccc(C)c1)C(C)(C)C ZINC000744017557 585142131 /nfs/dbraw/zinc/14/21/31/585142131.db2.gz HCWKJVLDVOSXIF-ZRDIBKRKSA-N 0 0 232.323 3.893 20 0 BHADRN C/C(=C/C(=O)Oc1ccccc1C)C(C)(C)C ZINC000744017615 585141947 /nfs/dbraw/zinc/14/19/47/585141947.db2.gz ISZQIQHCYPDWSA-BENRWUELSA-N 0 0 232.323 3.893 20 0 BHADRN C/C(=C\C(=O)Oc1ccccc1C)C(C)(C)C ZINC000744017616 585142123 /nfs/dbraw/zinc/14/21/23/585142123.db2.gz ISZQIQHCYPDWSA-ZRDIBKRKSA-N 0 0 232.323 3.893 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)OC2CCCCC2)o1 ZINC000744017700 585141987 /nfs/dbraw/zinc/14/19/87/585141987.db2.gz DQIVNYLYKNVTAE-LLVKDONJSA-N 0 0 236.311 3.567 20 0 BHADRN Cc1ccc([C@H](C)C(=O)OC2CCCCC2)o1 ZINC000744017702 585141915 /nfs/dbraw/zinc/14/19/15/585141915.db2.gz DQIVNYLYKNVTAE-NSHDSACASA-N 0 0 236.311 3.567 20 0 BHADRN Cc1cc(F)cc(C(=O)Oc2ccccc2C)c1 ZINC000744017838 585142111 /nfs/dbraw/zinc/14/21/11/585142111.db2.gz LVKWWJYDWYHICV-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN Cc1ccc(C(C)C)c(OC(=O)/C=C\C2CC2)c1 ZINC000744018040 585141899 /nfs/dbraw/zinc/14/18/99/585141899.db2.gz RDCWVTCQMCNWOX-CLFYSBASSA-N 0 0 244.334 3.990 20 0 BHADRN Cc1ccc(C(C)C)c(OC(=O)/C=C/C2CC2)c1 ZINC000744018041 585141950 /nfs/dbraw/zinc/14/19/50/585141950.db2.gz RDCWVTCQMCNWOX-VQHVLOKHSA-N 0 0 244.334 3.990 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)Oc2ccccc2C)o1 ZINC000744018104 585142080 /nfs/dbraw/zinc/14/20/80/585142080.db2.gz TVMGRVRLWMFEMG-GFCCVEGCSA-N 0 0 244.290 3.606 20 0 BHADRN Cc1ccc([C@H](C)C(=O)Oc2ccccc2C)o1 ZINC000744018107 585141914 /nfs/dbraw/zinc/14/19/14/585141914.db2.gz TVMGRVRLWMFEMG-LBPRGKRZSA-N 0 0 244.290 3.606 20 0 BHADRN Cc1cc(F)cc(C(=O)OC2CCCCC2)c1 ZINC000744018130 585142066 /nfs/dbraw/zinc/14/20/66/585142066.db2.gz JABTZBLHYOEVAY-UHFFFAOYSA-N 0 0 236.286 3.624 20 0 BHADRN Cc1cccc(OC(=O)c2cc(C)cc(F)c2)c1 ZINC000744018294 585141978 /nfs/dbraw/zinc/14/19/78/585141978.db2.gz HLCCKTJWXVWVOD-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)Oc2cccc(C)c2)o1 ZINC000744018617 585141990 /nfs/dbraw/zinc/14/19/90/585141990.db2.gz LPKHESCFRNDJLJ-GFCCVEGCSA-N 0 0 244.290 3.606 20 0 BHADRN Cc1ccc([C@H](C)C(=O)Oc2cccc(C)c2)o1 ZINC000744018619 585142042 /nfs/dbraw/zinc/14/20/42/585142042.db2.gz LPKHESCFRNDJLJ-LBPRGKRZSA-N 0 0 244.290 3.606 20 0 BHADRN O=C(CC1CCC1)OCc1ccc(Cl)cc1 ZINC000744018951 585141974 /nfs/dbraw/zinc/14/19/74/585141974.db2.gz MYGYQIXENRLSIW-UHFFFAOYSA-N 0 0 238.714 3.573 20 0 BHADRN CCc1ccccc1OC(=O)[C@H](C)c1ccco1 ZINC000744019157 585142328 /nfs/dbraw/zinc/14/23/28/585142328.db2.gz BVICKBWHMXXQBR-LLVKDONJSA-N 0 0 244.290 3.551 20 0 BHADRN CCc1ccccc1OC(=O)[C@@H](C)c1ccco1 ZINC000744019158 585142189 /nfs/dbraw/zinc/14/21/89/585142189.db2.gz BVICKBWHMXXQBR-NSHDSACASA-N 0 0 244.290 3.551 20 0 BHADRN Cc1cc(OC(=O)/C=C\C2CC2)ccc1Cl ZINC000744019189 585142140 /nfs/dbraw/zinc/14/21/40/585142140.db2.gz DOBRXIRFNQSXPN-DAXSKMNVSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1cc(OC(=O)/C=C/C2CC2)ccc1Cl ZINC000744019190 585142190 /nfs/dbraw/zinc/14/21/90/585142190.db2.gz DOBRXIRFNQSXPN-QPJJXVBHSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1cc(OC(=O)CC2CCC2)ccc1Cl ZINC000744019712 585142251 /nfs/dbraw/zinc/14/22/51/585142251.db2.gz IXWZUMMDBAGUNW-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CC(C)(C)c1ccc(OC(=O)/C=C/C2CC2)cc1 ZINC000744020022 585142171 /nfs/dbraw/zinc/14/21/71/585142171.db2.gz LWISBRJLQMZOHE-IZZDOVSWSA-N 0 0 244.334 3.856 20 0 BHADRN CC(C)(C)c1ccc(OC(=O)/C=C\C2CC2)cc1 ZINC000744020024 585142358 /nfs/dbraw/zinc/14/23/58/585142358.db2.gz LWISBRJLQMZOHE-WDZFZDKYSA-N 0 0 244.334 3.856 20 0 BHADRN Cc1ccc(C(C)C)cc1OC(=O)/C=C\C1CC1 ZINC000744020611 585142350 /nfs/dbraw/zinc/14/23/50/585142350.db2.gz CGUUNADOFZUZLQ-CLFYSBASSA-N 0 0 244.334 3.990 20 0 BHADRN Cc1ccc(C(C)C)cc1OC(=O)/C=C/C1CC1 ZINC000744020612 585142241 /nfs/dbraw/zinc/14/22/41/585142241.db2.gz CGUUNADOFZUZLQ-VQHVLOKHSA-N 0 0 244.334 3.990 20 0 BHADRN CCCOc1ccc(OC(=O)CC2CCC2)cc1 ZINC000744020765 585142231 /nfs/dbraw/zinc/14/22/31/585142231.db2.gz GPLIZCYZUIPARY-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN CCc1cccc(OC(=O)[C@H](C)c2ccco2)c1 ZINC000744021054 585142167 /nfs/dbraw/zinc/14/21/67/585142167.db2.gz PEYMZCVASINCTJ-LLVKDONJSA-N 0 0 244.290 3.551 20 0 BHADRN CCc1cccc(OC(=O)[C@@H](C)c2ccco2)c1 ZINC000744021055 585142250 /nfs/dbraw/zinc/14/22/50/585142250.db2.gz PEYMZCVASINCTJ-NSHDSACASA-N 0 0 244.290 3.551 20 0 BHADRN CC(C)(C)c1cccc(OC(=O)/C=C\C2CC2)c1 ZINC000744021246 585142281 /nfs/dbraw/zinc/14/22/81/585142281.db2.gz XJQXRNUWDGNCHM-KTKRTIGZSA-N 0 0 244.334 3.856 20 0 BHADRN CC(C)(C)c1cccc(OC(=O)/C=C/C2CC2)c1 ZINC000744021247 585142142 /nfs/dbraw/zinc/14/21/42/585142142.db2.gz XJQXRNUWDGNCHM-MDZDMXLPSA-N 0 0 244.334 3.856 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)CC2CCC2)c1 ZINC000744021501 585142173 /nfs/dbraw/zinc/14/21/73/585142173.db2.gz HGWVUHQMRFLBFA-UHFFFAOYSA-N 0 0 232.323 3.707 20 0 BHADRN CC(C)c1ccccc1OC(=O)/C=C\C1CC1 ZINC000744021861 585142202 /nfs/dbraw/zinc/14/22/02/585142202.db2.gz FCFSDIWSYFURHV-KTKRTIGZSA-N 0 0 230.307 3.682 20 0 BHADRN CC(C)c1ccccc1OC(=O)/C=C/C1CC1 ZINC000744021863 585142194 /nfs/dbraw/zinc/14/21/94/585142194.db2.gz FCFSDIWSYFURHV-MDZDMXLPSA-N 0 0 230.307 3.682 20 0 BHADRN CC(C)c1ccc(OC(=O)/C=C/C2CC2)cc1 ZINC000744022047 585142247 /nfs/dbraw/zinc/14/22/47/585142247.db2.gz CLCOVVRSKNHAME-BJMVGYQFSA-N 0 0 230.307 3.682 20 0 BHADRN CC(C)c1ccc(OC(=O)/C=C\C2CC2)cc1 ZINC000744022048 585142224 /nfs/dbraw/zinc/14/22/24/585142224.db2.gz CLCOVVRSKNHAME-YHYXMXQVSA-N 0 0 230.307 3.682 20 0 BHADRN CC(C)c1ccccc1OC(=O)CC1CCC1 ZINC000744022708 585142372 /nfs/dbraw/zinc/14/23/72/585142372.db2.gz OOHKJJCDRJRVEC-UHFFFAOYSA-N 0 0 232.323 3.906 20 0 BHADRN CC(C)c1ccc(OC(=O)CC2CCC2)cc1 ZINC000744023563 585142145 /nfs/dbraw/zinc/14/21/45/585142145.db2.gz NIUNYIYHRUZRRD-UHFFFAOYSA-N 0 0 232.323 3.906 20 0 BHADRN CCCCOC(=O)CCCC1CCCC1 ZINC000744039444 585142201 /nfs/dbraw/zinc/14/22/01/585142201.db2.gz ASPFCZFBOJXESH-UHFFFAOYSA-N 0 0 212.333 3.690 20 0 BHADRN CC(C)CCOC(=O)c1cccc(F)c1Cl ZINC000744039941 585142391 /nfs/dbraw/zinc/14/23/91/585142391.db2.gz HAYOIJZFYPFVCZ-UHFFFAOYSA-N 0 0 244.693 3.682 20 0 BHADRN CCCCOC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744040353 585142450 /nfs/dbraw/zinc/14/24/50/585142450.db2.gz ILQNMUMFTICYRZ-JTQLQIEISA-N 0 0 240.730 3.787 20 0 BHADRN CCCCOC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744040355 585142446 /nfs/dbraw/zinc/14/24/46/585142446.db2.gz ILQNMUMFTICYRZ-SNVBAGLBSA-N 0 0 240.730 3.787 20 0 BHADRN O=C(CC1CCC1)OC1CCCCCCC1 ZINC000744040372 585142453 /nfs/dbraw/zinc/14/24/53/585142453.db2.gz IYLBDMZGLFFDGM-UHFFFAOYSA-N 0 0 224.344 3.833 20 0 BHADRN CC(C)CCOC(=O)[C@H](C)c1cccc(F)c1 ZINC000744040615 585142471 /nfs/dbraw/zinc/14/24/71/585142471.db2.gz SLLJPWVTBGAEEH-LLVKDONJSA-N 0 0 238.302 3.519 20 0 BHADRN CC(C)CCOC(=O)[C@@H](C)c1cccc(F)c1 ZINC000744040617 585142413 /nfs/dbraw/zinc/14/24/13/585142413.db2.gz SLLJPWVTBGAEEH-NSHDSACASA-N 0 0 238.302 3.519 20 0 BHADRN CCCCOC(=O)[C@H](c1ccccc1)C(C)C ZINC000744040651 585142468 /nfs/dbraw/zinc/14/24/68/585142468.db2.gz NNIIBXMMBBQLRW-AWEZNQCLSA-N 0 0 234.339 3.770 20 0 BHADRN CCCCOC(=O)[C@@H](c1ccccc1)C(C)C ZINC000744040652 585142515 /nfs/dbraw/zinc/14/25/15/585142515.db2.gz NNIIBXMMBBQLRW-CQSZACIVSA-N 0 0 234.339 3.770 20 0 BHADRN CCCCOC(=O)c1ccc(OC2CCC2)cc1 ZINC000744040936 585142486 /nfs/dbraw/zinc/14/24/86/585142486.db2.gz OTXGQCBTLDYPTB-UHFFFAOYSA-N 0 0 248.322 3.575 20 0 BHADRN CC(C)COC(=O)C1CCCCCCC1 ZINC000744041004 585142376 /nfs/dbraw/zinc/14/23/76/585142376.db2.gz XFNSRHKHKYIDBP-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCOC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000744041099 585142571 /nfs/dbraw/zinc/14/25/71/585142571.db2.gz RHVREOIJYOWFJT-INIZCTEOSA-N 0 0 246.350 3.525 20 0 BHADRN CCCCOC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000744041101 585142477 /nfs/dbraw/zinc/14/24/77/585142477.db2.gz RHVREOIJYOWFJT-MRXNPFEDSA-N 0 0 246.350 3.525 20 0 BHADRN O=C(/C=C\C1CC1)OC1CCCCCCC1 ZINC000744041652 585142392 /nfs/dbraw/zinc/14/23/92/585142392.db2.gz WQXAIEVSWAOPGX-KHPPLWFESA-N 0 0 222.328 3.609 20 0 BHADRN O=C(/C=C/C1CC1)OC1CCCCCCC1 ZINC000744041653 585142569 /nfs/dbraw/zinc/14/25/69/585142569.db2.gz WQXAIEVSWAOPGX-ZHACJKMWSA-N 0 0 222.328 3.609 20 0 BHADRN CCCOC(=O)C(CC)(CC)c1ccccc1 ZINC000744041885 585142494 /nfs/dbraw/zinc/14/24/94/585142494.db2.gz BUVFITPYOAZKGL-UHFFFAOYSA-N 0 0 234.339 3.698 20 0 BHADRN C[C@H]1CCC[C@@H](C(=O)OCCc2ccccc2)C1 ZINC000744041926 585142548 /nfs/dbraw/zinc/14/25/48/585142548.db2.gz FFZFUYUTAYJAFN-DZGCQCFKSA-N 0 0 246.350 3.599 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)OCCc2ccccc2)C1 ZINC000744041927 585142452 /nfs/dbraw/zinc/14/24/52/585142452.db2.gz FFZFUYUTAYJAFN-HIFRSBDPSA-N 0 0 246.350 3.599 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)OCCc2ccccc2)C1 ZINC000744041928 585142455 /nfs/dbraw/zinc/14/24/55/585142455.db2.gz FFZFUYUTAYJAFN-UKRRQHHQSA-N 0 0 246.350 3.599 20 0 BHADRN C[C@H]1CCC[C@H](C(=O)OCCc2ccccc2)C1 ZINC000744041929 585142432 /nfs/dbraw/zinc/14/24/32/585142432.db2.gz FFZFUYUTAYJAFN-ZFWWWQNUSA-N 0 0 246.350 3.599 20 0 BHADRN CC(C)COC(=O)CCCC1CCCC1 ZINC000744042231 585142454 /nfs/dbraw/zinc/14/24/54/585142454.db2.gz LNHBITLZFDNNEH-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN O=C(CC1CCC1)OCc1ccccc1Cl ZINC000744042442 585142622 /nfs/dbraw/zinc/14/26/22/585142622.db2.gz DOLXMLCATMVXOW-UHFFFAOYSA-N 0 0 238.714 3.573 20 0 BHADRN CC(C)COC(=O)[C@H](c1ccccc1)C(C)C ZINC000744042512 582864100 /nfs/dbraw/zinc/86/41/00/582864100.db2.gz ORDZBGMJPFFDEV-AWEZNQCLSA-N 0 0 234.339 3.625 20 0 BHADRN CC(C)COC(=O)[C@@H](c1ccccc1)C(C)C ZINC000744042513 582863930 /nfs/dbraw/zinc/86/39/30/582863930.db2.gz ORDZBGMJPFFDEV-CQSZACIVSA-N 0 0 234.339 3.625 20 0 BHADRN CCCOC(=O)/C=C(\CC)c1ccc(C)cc1 ZINC000744042523 585142649 /nfs/dbraw/zinc/14/26/49/585142649.db2.gz PIQOZEKVKUDJEE-ACCUITESSA-N 0 0 232.323 3.742 20 0 BHADRN CCCOC(=O)/C=C(/CC)c1ccc(C)cc1 ZINC000744042524 585142615 /nfs/dbraw/zinc/14/26/15/585142615.db2.gz PIQOZEKVKUDJEE-QBFSEMIESA-N 0 0 232.323 3.742 20 0 BHADRN CCCCC[C@@H](C)CC(=O)OCC(F)(F)F ZINC000744042580 585142765 /nfs/dbraw/zinc/14/27/65/585142765.db2.gz UMIMAXKNZRZOCI-SECBINFHSA-N 0 0 240.265 3.698 20 0 BHADRN CCCCC[C@H](C)CC(=O)OCC(F)(F)F ZINC000744042581 585142603 /nfs/dbraw/zinc/14/26/03/585142603.db2.gz UMIMAXKNZRZOCI-VIFPVBQESA-N 0 0 240.265 3.698 20 0 BHADRN CCCOC(=O)C1CCC(c2ccccc2)CC1 ZINC000744042753 585142638 /nfs/dbraw/zinc/14/26/38/585142638.db2.gz UODRYJLTNYFBGS-UHFFFAOYSA-N 0 0 246.350 3.914 20 0 BHADRN CC(C)COC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744042789 585142382 /nfs/dbraw/zinc/14/23/82/585142382.db2.gz VPJDWLZKPKBRRS-JTQLQIEISA-N 0 0 240.730 3.643 20 0 BHADRN CC(C)COC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744042790 582863937 /nfs/dbraw/zinc/86/39/37/582863937.db2.gz VPJDWLZKPKBRRS-SNVBAGLBSA-N 0 0 240.730 3.643 20 0 BHADRN CCCCC[C@@H](C)CC(=O)OCc1cccnc1 ZINC000744043200 585142656 /nfs/dbraw/zinc/14/26/56/585142656.db2.gz VZZKZYVGKHYXNJ-CYBMUJFWSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCC[C@H](C)CC(=O)OCc1cccnc1 ZINC000744043201 585142675 /nfs/dbraw/zinc/14/26/75/585142675.db2.gz VZZKZYVGKHYXNJ-ZDUSSCGKSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCC[C@@H](C)CC(=O)OCc1ccccn1 ZINC000744043290 585142751 /nfs/dbraw/zinc/14/27/51/585142751.db2.gz ZEOBCABAOPFVQR-CYBMUJFWSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCC[C@H](C)CC(=O)OCc1ccccn1 ZINC000744043291 585142645 /nfs/dbraw/zinc/14/26/45/585142645.db2.gz ZEOBCABAOPFVQR-ZDUSSCGKSA-N 0 0 249.354 3.731 20 0 BHADRN C/C(=C\C(=O)OCc1cccs1)C(C)(C)C ZINC000744043345 585142663 /nfs/dbraw/zinc/14/26/63/585142663.db2.gz KKZYONSYELVAHH-CSKARUKUSA-N 0 0 238.352 3.784 20 0 BHADRN C/C(=C/C(=O)OCc1cccs1)C(C)(C)C ZINC000744043346 582863854 /nfs/dbraw/zinc/86/38/54/582863854.db2.gz KKZYONSYELVAHH-NTMALXAHSA-N 0 0 238.352 3.784 20 0 BHADRN C[C@@H]1CCC[C@@H](C(=O)OCc2cccs2)C1 ZINC000744043603 582863914 /nfs/dbraw/zinc/86/39/14/582863914.db2.gz UOOCTYWHLLJKQT-GHMZBOCLSA-N 0 0 238.352 3.618 20 0 BHADRN C[C@@H]1CCC[C@H](C(=O)OCc2cccs2)C1 ZINC000744043610 582864146 /nfs/dbraw/zinc/86/41/46/582864146.db2.gz UOOCTYWHLLJKQT-MNOVXSKESA-N 0 0 238.352 3.618 20 0 BHADRN C[C@H]1CCC[C@H](C(=O)OCc2cccs2)C1 ZINC000744043613 582863963 /nfs/dbraw/zinc/86/39/63/582863963.db2.gz UOOCTYWHLLJKQT-QWRGUYRKSA-N 0 0 238.352 3.618 20 0 BHADRN C[C@H]1CCC[C@@H](C(=O)OCc2cccs2)C1 ZINC000744043615 582864117 /nfs/dbraw/zinc/86/41/17/582864117.db2.gz UOOCTYWHLLJKQT-WDEREUQCSA-N 0 0 238.352 3.618 20 0 BHADRN CCSCCOC(=O)CCCC1CCCC1 ZINC000744043864 585142742 /nfs/dbraw/zinc/14/27/42/585142742.db2.gz HPTFEEOFAJTKNW-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CCSCCOC(=O)C1CCCCCCC1 ZINC000744044198 585142727 /nfs/dbraw/zinc/14/27/27/585142727.db2.gz MJCHDETWIMPMRZ-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CCCCCOC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000744046003 585142664 /nfs/dbraw/zinc/14/26/64/585142664.db2.gz RXJCFNBOGRZAET-NEPJUHHUSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCCOC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000744046004 585142657 /nfs/dbraw/zinc/14/26/57/585142657.db2.gz RXJCFNBOGRZAET-NWDGAFQWSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCCOC(=O)[C@H]1CCC[C@H](C)C1 ZINC000744046005 585142711 /nfs/dbraw/zinc/14/27/11/585142711.db2.gz RXJCFNBOGRZAET-RYUDHWBXSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCCOC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000744046006 585142641 /nfs/dbraw/zinc/14/26/41/585142641.db2.gz RXJCFNBOGRZAET-VXGBXAGGSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCCCOC(=O)[C@H](C)c1ccco1 ZINC000744046550 582864570 /nfs/dbraw/zinc/86/45/70/582864570.db2.gz AAUHQPNLHUWBNJ-LLVKDONJSA-N 0 0 224.300 3.507 20 0 BHADRN CCCCCCOC(=O)[C@@H](C)c1ccco1 ZINC000744046551 582864340 /nfs/dbraw/zinc/86/43/40/582864340.db2.gz AAUHQPNLHUWBNJ-NSHDSACASA-N 0 0 224.300 3.507 20 0 BHADRN CCCCCOC(=O)c1cccc(F)c1Cl ZINC000744046555 585142674 /nfs/dbraw/zinc/14/26/74/585142674.db2.gz AKEMQTFSXZJHMJ-UHFFFAOYSA-N 0 0 244.693 3.826 20 0 BHADRN CC(C)CCCOC(=O)c1cccc2cc[nH]c21 ZINC000744046714 585142733 /nfs/dbraw/zinc/14/27/33/585142733.db2.gz FTFZGYVJVCLPEO-UHFFFAOYSA-N 0 0 245.322 3.761 20 0 BHADRN CCCCCOC(=O)c1cnc2ccsc2c1 ZINC000744047058 585142884 /nfs/dbraw/zinc/14/28/84/585142884.db2.gz LULDFAIJWSPRJN-UHFFFAOYSA-N 0 0 249.335 3.643 20 0 BHADRN CCCCCOC(=O)[C@H](C)c1cccc(F)c1 ZINC000744047070 585142793 /nfs/dbraw/zinc/14/27/93/585142793.db2.gz MSUOURANKDXHBM-LLVKDONJSA-N 0 0 238.302 3.663 20 0 BHADRN CCCCCOC(=O)[C@@H](C)c1cccc(F)c1 ZINC000744047071 585142836 /nfs/dbraw/zinc/14/28/36/585142836.db2.gz MSUOURANKDXHBM-NSHDSACASA-N 0 0 238.302 3.663 20 0 BHADRN CCCCC[C@@H](C)CC(=O)OCC1CC1 ZINC000744047356 582864859 /nfs/dbraw/zinc/86/48/59/582864859.db2.gz QFGLPNVQRMQGKT-LLVKDONJSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCC[C@H](C)CC(=O)OCC1CC1 ZINC000744047357 582864968 /nfs/dbraw/zinc/86/49/68/582864968.db2.gz QFGLPNVQRMQGKT-NSHDSACASA-N 0 0 212.333 3.546 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)OCCCC(C)C)o1 ZINC000744047672 585142862 /nfs/dbraw/zinc/14/28/62/585142862.db2.gz UCOCRFYEJYPZDH-GFCCVEGCSA-N 0 0 238.327 3.671 20 0 BHADRN Cc1ccc([C@H](C)C(=O)OCCCC(C)C)o1 ZINC000744047674 585142942 /nfs/dbraw/zinc/14/29/42/585142942.db2.gz UCOCRFYEJYPZDH-LBPRGKRZSA-N 0 0 238.327 3.671 20 0 BHADRN CCCCCC[C@@H](C)C(=O)OCC1CC1 ZINC000744047756 585142842 /nfs/dbraw/zinc/14/28/42/585142842.db2.gz XWGCDIOHHPVMJL-LLVKDONJSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCCC[C@H](C)C(=O)OCC1CC1 ZINC000744047757 585142929 /nfs/dbraw/zinc/14/29/29/585142929.db2.gz XWGCDIOHHPVMJL-NSHDSACASA-N 0 0 212.333 3.546 20 0 BHADRN CCCCCCOC(=O)[C@H](C)c1ccc(C)o1 ZINC000744047904 585142802 /nfs/dbraw/zinc/14/28/02/585142802.db2.gz ZXJLEJRPJNXCBI-GFCCVEGCSA-N 0 0 238.327 3.815 20 0 BHADRN CCCCCCOC(=O)[C@@H](C)c1ccc(C)o1 ZINC000744047905 585142860 /nfs/dbraw/zinc/14/28/60/585142860.db2.gz ZXJLEJRPJNXCBI-LBPRGKRZSA-N 0 0 238.327 3.815 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)OC ZINC000744048566 585142785 /nfs/dbraw/zinc/14/27/85/585142785.db2.gz LQLNEJNYIHKPGW-GFCCVEGCSA-N 0 0 200.322 3.546 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)OC ZINC000744048567 585142903 /nfs/dbraw/zinc/14/29/03/585142903.db2.gz LQLNEJNYIHKPGW-LBPRGKRZSA-N 0 0 200.322 3.546 20 0 BHADRN C[C@@H](C(=O)OCC1CCCCC1)c1ccco1 ZINC000744048695 585142963 /nfs/dbraw/zinc/14/29/63/585142963.db2.gz ZWJICIJTYCUMQD-LLVKDONJSA-N 0 0 236.311 3.507 20 0 BHADRN C[C@H](C(=O)OCC1CCCCC1)c1ccco1 ZINC000744048696 585142837 /nfs/dbraw/zinc/14/28/37/585142837.db2.gz ZWJICIJTYCUMQD-NSHDSACASA-N 0 0 236.311 3.507 20 0 BHADRN O=C(CC1CCC1)OCc1cc2ccccc2o1 ZINC000744049953 585142835 /nfs/dbraw/zinc/14/28/35/585142835.db2.gz AJFAUIQMWLVUTQ-UHFFFAOYSA-N 0 0 244.290 3.666 20 0 BHADRN O=C(CC1CCC1)OCc1cccc(Cl)c1 ZINC000744050291 585142870 /nfs/dbraw/zinc/14/28/70/585142870.db2.gz GFVBIVAFEXMGIF-UHFFFAOYSA-N 0 0 238.714 3.573 20 0 BHADRN CC/C=C/COC(=O)[C@H](c1ccccc1)C(C)C ZINC000744050698 711624030 /nfs/dbraw/zinc/62/40/30/711624030.db2.gz ACPMZSMFZRGGON-BOSPYUDASA-N 0 0 246.350 3.936 20 0 BHADRN CC/C=C/COC(=O)[C@@H](c1ccccc1)C(C)C ZINC000744050699 711623598 /nfs/dbraw/zinc/62/35/98/711623598.db2.gz ACPMZSMFZRGGON-FUVBFXSKSA-N 0 0 246.350 3.936 20 0 BHADRN CC/C=C\COC(=O)[C@@H](c1ccccc1)C(C)C ZINC000744050700 711623579 /nfs/dbraw/zinc/62/35/79/711623579.db2.gz ACPMZSMFZRGGON-HMZQOCAUSA-N 0 0 246.350 3.936 20 0 BHADRN CC/C=C\COC(=O)[C@H](c1ccccc1)C(C)C ZINC000744050701 711624026 /nfs/dbraw/zinc/62/40/26/711624026.db2.gz ACPMZSMFZRGGON-ZHMISCPASA-N 0 0 246.350 3.936 20 0 BHADRN O=C(OCc1ccoc1)C1CCCCCCC1 ZINC000744051002 585142962 /nfs/dbraw/zinc/14/29/62/585142962.db2.gz OBNRCFXHAQOZET-UHFFFAOYSA-N 0 0 236.311 3.683 20 0 BHADRN O=C(CCCC1CCCC1)OCc1ccoc1 ZINC000744051327 585143131 /nfs/dbraw/zinc/14/31/31/585143131.db2.gz SHGOAMXHQGWUPK-UHFFFAOYSA-N 0 0 236.311 3.683 20 0 BHADRN CCCCCC[C@@H](C)C(=O)OCc1ccoc1 ZINC000744051373 585142970 /nfs/dbraw/zinc/14/29/70/585142970.db2.gz UGNUURKGRPCIFH-GFCCVEGCSA-N 0 0 238.327 3.929 20 0 BHADRN CCCCCC[C@H](C)C(=O)OCc1ccoc1 ZINC000744051374 585143142 /nfs/dbraw/zinc/14/31/42/585143142.db2.gz UGNUURKGRPCIFH-LBPRGKRZSA-N 0 0 238.327 3.929 20 0 BHADRN CCCCC[C@@H](C)CC(=O)OCc1ccoc1 ZINC000744051700 585143050 /nfs/dbraw/zinc/14/30/50/585143050.db2.gz YENABGTUGCSROL-GFCCVEGCSA-N 0 0 238.327 3.929 20 0 BHADRN CCCCC[C@H](C)CC(=O)OCc1ccoc1 ZINC000744051701 585143109 /nfs/dbraw/zinc/14/31/09/585143109.db2.gz YENABGTUGCSROL-LBPRGKRZSA-N 0 0 238.327 3.929 20 0 BHADRN CC/C=C\COC(=O)c1cccc(F)c1Cl ZINC000744052145 585143068 /nfs/dbraw/zinc/14/30/68/585143068.db2.gz YMRJRJJYLSKYLI-ARJAWSKDSA-N 0 0 242.677 3.602 20 0 BHADRN CC/C=C/COC(=O)c1cccc(F)c1Cl ZINC000744052146 585143064 /nfs/dbraw/zinc/14/30/64/585143064.db2.gz YMRJRJJYLSKYLI-ONEGZZNKSA-N 0 0 242.677 3.602 20 0 BHADRN O=C(OCC1CCCC1)c1cccc2cc[nH]c21 ZINC000744052397 585143083 /nfs/dbraw/zinc/14/30/83/585143083.db2.gz LKVQVPDLRZRNJH-UHFFFAOYSA-N 0 0 243.306 3.515 20 0 BHADRN C/C=C/COC(=O)[C@@H](c1ccccc1)C(C)C ZINC000744053807 585143145 /nfs/dbraw/zinc/14/31/45/585143145.db2.gz JQXFYEILOHIJKD-ISZGNANSSA-N 0 0 232.323 3.546 20 0 BHADRN C/C=C/COC(=O)[C@H](c1ccccc1)C(C)C ZINC000744053808 585142996 /nfs/dbraw/zinc/14/29/96/585142996.db2.gz JQXFYEILOHIJKD-NNTXTVRGSA-N 0 0 232.323 3.546 20 0 BHADRN C/C=C\COC(=O)[C@H](c1ccccc1)C(C)C ZINC000744053809 585142971 /nfs/dbraw/zinc/14/29/71/585142971.db2.gz JQXFYEILOHIJKD-WSNITJDQSA-N 0 0 232.323 3.546 20 0 BHADRN C/C=C\COC(=O)[C@@H](c1ccccc1)C(C)C ZINC000744053810 585142980 /nfs/dbraw/zinc/14/29/80/585142980.db2.gz JQXFYEILOHIJKD-ZRUQZJFASA-N 0 0 232.323 3.546 20 0 BHADRN C/C=C\COC(=O)C(CC)(CC)c1ccccc1 ZINC000744054011 585143135 /nfs/dbraw/zinc/14/31/35/585143135.db2.gz LNYCUGCAVBJBFQ-DAXSKMNVSA-N 0 0 246.350 3.864 20 0 BHADRN C/C=C/COC(=O)C(CC)(CC)c1ccccc1 ZINC000744054012 585143092 /nfs/dbraw/zinc/14/30/92/585143092.db2.gz LNYCUGCAVBJBFQ-QPJJXVBHSA-N 0 0 246.350 3.864 20 0 BHADRN C/C=C/COC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744054090 585143028 /nfs/dbraw/zinc/14/30/28/585143028.db2.gz MVVYESQHVZOPCI-FSIBCCDJSA-N 0 0 238.714 3.563 20 0 BHADRN C/C=C/COC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744054091 585143029 /nfs/dbraw/zinc/14/30/29/585143029.db2.gz MVVYESQHVZOPCI-HMDXOVGESA-N 0 0 238.714 3.563 20 0 BHADRN C/C=C\COC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744054092 585142975 /nfs/dbraw/zinc/14/29/75/585142975.db2.gz MVVYESQHVZOPCI-UMBAGQNISA-N 0 0 238.714 3.563 20 0 BHADRN C/C=C\COC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744054093 585143000 /nfs/dbraw/zinc/14/30/00/585143000.db2.gz MVVYESQHVZOPCI-XOULXFPDSA-N 0 0 238.714 3.563 20 0 BHADRN C/C=C/COC(=O)[C@H](C)CCCCCC ZINC000744054288 585143098 /nfs/dbraw/zinc/14/30/98/585143098.db2.gz PVURFAYEFXDUJD-HOSRBBHYSA-N 0 0 212.333 3.712 20 0 BHADRN C/C=C\COC(=O)[C@@H](C)CCCCCC ZINC000744054289 585143014 /nfs/dbraw/zinc/14/30/14/585143014.db2.gz PVURFAYEFXDUJD-HWPRWLFBSA-N 0 0 212.333 3.712 20 0 BHADRN C/C=C/COC(=O)[C@@H](C)CCCCCC ZINC000744054290 585143067 /nfs/dbraw/zinc/14/30/67/585143067.db2.gz PVURFAYEFXDUJD-PZBABLGHSA-N 0 0 212.333 3.712 20 0 BHADRN C/C=C\COC(=O)[C@H](C)CCCCCC ZINC000744054291 585143329 /nfs/dbraw/zinc/14/33/29/585143329.db2.gz PVURFAYEFXDUJD-SMYYYNMVSA-N 0 0 212.333 3.712 20 0 BHADRN CC/C=C/CCOC(=O)[C@H](C)c1ccc(C)o1 ZINC000744054525 585143215 /nfs/dbraw/zinc/14/32/15/585143215.db2.gz CNJXILZQRVPDEG-BTDICHCPSA-N 0 0 236.311 3.591 20 0 BHADRN CC/C=C\CCOC(=O)[C@@H](C)c1ccc(C)o1 ZINC000744054526 585143325 /nfs/dbraw/zinc/14/33/25/585143325.db2.gz CNJXILZQRVPDEG-FJOGCWAESA-N 0 0 236.311 3.591 20 0 BHADRN CC/C=C\CCOC(=O)[C@H](C)c1ccc(C)o1 ZINC000744054527 585143319 /nfs/dbraw/zinc/14/33/19/585143319.db2.gz CNJXILZQRVPDEG-FOQNGQEVSA-N 0 0 236.311 3.591 20 0 BHADRN CC/C=C/CCOC(=O)[C@@H](C)c1ccc(C)o1 ZINC000744054528 585143249 /nfs/dbraw/zinc/14/32/49/585143249.db2.gz CNJXILZQRVPDEG-FYJFLYSWSA-N 0 0 236.311 3.591 20 0 BHADRN CC/C=C\CCOC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000744054771 585143344 /nfs/dbraw/zinc/14/33/44/585143344.db2.gz IYCMIXYSKLLIGE-DIABFLQPSA-N 0 0 224.344 3.712 20 0 BHADRN CC/C=C/CCOC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000744054772 585143326 /nfs/dbraw/zinc/14/33/26/585143326.db2.gz IYCMIXYSKLLIGE-IJWDBEHRSA-N 0 0 224.344 3.712 20 0 BHADRN CC/C=C\CCOC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000744054773 585143287 /nfs/dbraw/zinc/14/32/87/585143287.db2.gz IYCMIXYSKLLIGE-OEFFGFFESA-N 0 0 224.344 3.712 20 0 BHADRN CC/C=C/CCOC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000744054774 585143246 /nfs/dbraw/zinc/14/32/46/585143246.db2.gz IYCMIXYSKLLIGE-QITAHTHBSA-N 0 0 224.344 3.712 20 0 BHADRN CC/C=C\CCOC(=O)c1cccc2cc[nH]c21 ZINC000744054816 585143299 /nfs/dbraw/zinc/14/32/99/585143299.db2.gz KBZQQCIPWUTLNY-ARJAWSKDSA-N 0 0 243.306 3.681 20 0 BHADRN CC/C=C/CCOC(=O)c1cccc2cc[nH]c21 ZINC000744054817 585143209 /nfs/dbraw/zinc/14/32/09/585143209.db2.gz KBZQQCIPWUTLNY-ONEGZZNKSA-N 0 0 243.306 3.681 20 0 BHADRN CC/C=C\CCOC(=O)c1cc(C)cc(F)c1 ZINC000744054996 585143191 /nfs/dbraw/zinc/14/31/91/585143191.db2.gz MXCLZQFAOLIGEI-PLNGDYQASA-N 0 0 236.286 3.647 20 0 BHADRN CC/C=C/CCOC(=O)c1cc(C)cc(F)c1 ZINC000744054997 585143322 /nfs/dbraw/zinc/14/33/22/585143322.db2.gz MXCLZQFAOLIGEI-SNAWJCMRSA-N 0 0 236.286 3.647 20 0 BHADRN CC/C=C/CCOC(=O)c1ccc(OC)cc1C ZINC000744055145 582865664 /nfs/dbraw/zinc/86/56/64/582865664.db2.gz OVPFUCVOMKNTLH-AATRIKPKSA-N 0 0 248.322 3.517 20 0 BHADRN CC/C=C\CCOC(=O)c1ccc(OC)cc1C ZINC000744055146 582865592 /nfs/dbraw/zinc/86/55/92/582865592.db2.gz OVPFUCVOMKNTLH-WAYWQWQTSA-N 0 0 248.322 3.517 20 0 BHADRN CC[C@@H](C)OC(=O)CCCC1CCCC1 ZINC000744059739 585143211 /nfs/dbraw/zinc/14/32/11/585143211.db2.gz CXAYOUNNGWARFZ-LLVKDONJSA-N 0 0 212.333 3.689 20 0 BHADRN CC[C@H](C)OC(=O)CCCC1CCCC1 ZINC000744059740 585143367 /nfs/dbraw/zinc/14/33/67/585143367.db2.gz CXAYOUNNGWARFZ-NSHDSACASA-N 0 0 212.333 3.689 20 0 BHADRN O=C(CCCC1CCCC1)OC1CCCC1 ZINC000744059805 582865786 /nfs/dbraw/zinc/86/57/86/582865786.db2.gz GLBNBJNXAHDRNW-UHFFFAOYSA-N 0 0 224.344 3.833 20 0 BHADRN CC[C@@H](C)OC(=O)C1CCCCCCC1 ZINC000744059885 585143308 /nfs/dbraw/zinc/14/33/08/585143308.db2.gz IPKOCFIVBFODGF-LLVKDONJSA-N 0 0 212.333 3.689 20 0 BHADRN CC[C@H](C)OC(=O)C1CCCCCCC1 ZINC000744059886 585143353 /nfs/dbraw/zinc/14/33/53/585143353.db2.gz IPKOCFIVBFODGF-NSHDSACASA-N 0 0 212.333 3.689 20 0 BHADRN CC[C@@H]1CCCC[C@H]1OC(=O)CC1CCC1 ZINC000744059942 632441635 /nfs/dbraw/zinc/44/16/35/632441635.db2.gz KCRVKTUHAQXMJZ-CHWSQXEVSA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1OC(=O)CC1CCC1 ZINC000744059943 632440963 /nfs/dbraw/zinc/44/09/63/632440963.db2.gz KCRVKTUHAQXMJZ-OLZOCXBDSA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@H]1CCCC[C@H]1OC(=O)CC1CCC1 ZINC000744059944 632440676 /nfs/dbraw/zinc/44/06/76/632440676.db2.gz KCRVKTUHAQXMJZ-QWHCGFSZSA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@H]1CCCC[C@@H]1OC(=O)CC1CCC1 ZINC000744059945 632441671 /nfs/dbraw/zinc/44/16/71/632441671.db2.gz KCRVKTUHAQXMJZ-STQMWFEESA-N 0 0 224.344 3.689 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc(OC2CCC2)cc1 ZINC000744060032 582865833 /nfs/dbraw/zinc/86/58/33/582865833.db2.gz MNQZQCAJCZLWGU-LLVKDONJSA-N 0 0 248.322 3.573 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc(OC2CCC2)cc1 ZINC000744060033 582866000 /nfs/dbraw/zinc/86/60/00/582866000.db2.gz MNQZQCAJCZLWGU-NSHDSACASA-N 0 0 248.322 3.573 20 0 BHADRN CC[C@@H](C)OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744060257 585143228 /nfs/dbraw/zinc/14/32/28/585143228.db2.gz UUCWJIQGKJRZCR-NXEZZACHSA-N 0 0 240.730 3.785 20 0 BHADRN CC[C@H](C)OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744060258 585143264 /nfs/dbraw/zinc/14/32/64/585143264.db2.gz UUCWJIQGKJRZCR-UWVGGRQHSA-N 0 0 240.730 3.785 20 0 BHADRN CC[C@H](C)OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744060259 585143236 /nfs/dbraw/zinc/14/32/36/585143236.db2.gz UUCWJIQGKJRZCR-VHSXEESVSA-N 0 0 240.730 3.785 20 0 BHADRN CC[C@@H](C)OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744060260 585143195 /nfs/dbraw/zinc/14/31/95/585143195.db2.gz UUCWJIQGKJRZCR-ZJUUUORDSA-N 0 0 240.730 3.785 20 0 BHADRN CC(C)[C@H](C(=O)OC1CCCC1)c1ccccc1 ZINC000744060381 585143539 /nfs/dbraw/zinc/14/35/39/585143539.db2.gz YPFSPMSVIJXJQN-HNNXBMFYSA-N 0 0 246.350 3.912 20 0 BHADRN CC(C)[C@@H](C(=O)OC1CCCC1)c1ccccc1 ZINC000744060382 585143397 /nfs/dbraw/zinc/14/33/97/585143397.db2.gz YPFSPMSVIJXJQN-OAHLLOKOSA-N 0 0 246.350 3.912 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)C1=COCCC1 ZINC000744063244 585143369 /nfs/dbraw/zinc/14/33/69/585143369.db2.gz ADHVPZPVHHORDM-GFCCVEGCSA-N 0 0 240.343 3.583 20 0 BHADRN CCCCCC[C@H](C)OC(=O)C1=COCCC1 ZINC000744063245 585143477 /nfs/dbraw/zinc/14/34/77/585143477.db2.gz ADHVPZPVHHORDM-LBPRGKRZSA-N 0 0 240.343 3.583 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)c1cccc2cc[nH]c21 ZINC000744064046 585143439 /nfs/dbraw/zinc/14/34/39/585143439.db2.gz QZCRROBTTLVFAG-LLVKDONJSA-N 0 0 245.322 3.759 20 0 BHADRN CC(C)C[C@H](C)OC(=O)c1cccc2cc[nH]c21 ZINC000744064047 585143540 /nfs/dbraw/zinc/14/35/40/585143540.db2.gz QZCRROBTTLVFAG-NSHDSACASA-N 0 0 245.322 3.759 20 0 BHADRN C[C@H](OC(=O)CC1CCC1)c1ccc(F)cc1 ZINC000744064116 585143370 /nfs/dbraw/zinc/14/33/70/585143370.db2.gz QSEUGIBTAYHYRI-JTQLQIEISA-N 0 0 236.286 3.620 20 0 BHADRN C[C@@H](OC(=O)CC1CCC1)c1ccc(F)cc1 ZINC000744064119 585143505 /nfs/dbraw/zinc/14/35/05/585143505.db2.gz QSEUGIBTAYHYRI-SNVBAGLBSA-N 0 0 236.286 3.620 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)Cc1cccnc1 ZINC000744064545 585143372 /nfs/dbraw/zinc/14/33/72/585143372.db2.gz LBLFBQUEEBQBOW-CYBMUJFWSA-N 0 0 249.354 3.526 20 0 BHADRN CCCCCC[C@H](C)OC(=O)Cc1cccnc1 ZINC000744064546 585143390 /nfs/dbraw/zinc/14/33/90/585143390.db2.gz LBLFBQUEEBQBOW-ZDUSSCGKSA-N 0 0 249.354 3.526 20 0 BHADRN Cc1ccc([C@H](C)C(=O)O[C@H](C)CC(C)C)o1 ZINC000744065044 585143412 /nfs/dbraw/zinc/14/34/12/585143412.db2.gz XBCSBWKKERODSW-NEPJUHHUSA-N 0 0 238.327 3.669 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)O[C@@H](C)CC(C)C)o1 ZINC000744065045 585143434 /nfs/dbraw/zinc/14/34/34/585143434.db2.gz XBCSBWKKERODSW-NWDGAFQWSA-N 0 0 238.327 3.669 20 0 BHADRN Cc1ccc([C@H](C)C(=O)O[C@@H](C)CC(C)C)o1 ZINC000744065046 585143391 /nfs/dbraw/zinc/14/33/91/585143391.db2.gz XBCSBWKKERODSW-RYUDHWBXSA-N 0 0 238.327 3.669 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)O[C@H](C)CC(C)C)o1 ZINC000744065049 585143541 /nfs/dbraw/zinc/14/35/41/585143541.db2.gz XBCSBWKKERODSW-VXGBXAGGSA-N 0 0 238.327 3.669 20 0 BHADRN CCCCCC[C@@H](C)C(=O)OC(C)C ZINC000744065591 585143516 /nfs/dbraw/zinc/14/35/16/585143516.db2.gz RXIWBZGEXNYBNF-LLVKDONJSA-N 0 0 200.322 3.545 20 0 BHADRN CCCCCC[C@H](C)C(=O)OC(C)C ZINC000744065592 585143538 /nfs/dbraw/zinc/14/35/38/585143538.db2.gz RXIWBZGEXNYBNF-NSHDSACASA-N 0 0 200.322 3.545 20 0 BHADRN CC/C(=C\C(=O)OC(C)C)c1ccc(C)cc1 ZINC000744065633 585143450 /nfs/dbraw/zinc/14/34/50/585143450.db2.gz TXEVEGTXJXPCAS-JLHYYAGUSA-N 0 0 232.323 3.740 20 0 BHADRN CC/C(=C/C(=O)OC(C)C)c1ccc(C)cc1 ZINC000744065634 585143508 /nfs/dbraw/zinc/14/35/08/585143508.db2.gz TXEVEGTXJXPCAS-RAXLEYEMSA-N 0 0 232.323 3.740 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)/C=C\C1CC1 ZINC000744066909 585143526 /nfs/dbraw/zinc/14/35/26/585143526.db2.gz GFZIAGBUWFJEIT-PRDAAYKISA-N 0 0 230.307 3.565 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)/C=C/C1CC1 ZINC000744066910 585143523 /nfs/dbraw/zinc/14/35/23/585143523.db2.gz GFZIAGBUWFJEIT-VMPCVLLUSA-N 0 0 230.307 3.565 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)CC1CCC1 ZINC000744067530 585143708 /nfs/dbraw/zinc/14/37/08/585143708.db2.gz RPDPXEOFIDTOSP-LBPRGKRZSA-N 0 0 232.323 3.789 20 0 BHADRN O=C(CC1CCC1)OCc1ccc(Cl)s1 ZINC000744071915 585143568 /nfs/dbraw/zinc/14/35/68/585143568.db2.gz NSGIVPMQQROJHK-UHFFFAOYSA-N 0 0 244.743 3.635 20 0 BHADRN CC(C)[C@H](C(=O)OC[C@H]1C[C@@H]1C)c1ccccc1 ZINC000744073034 585143587 /nfs/dbraw/zinc/14/35/87/585143587.db2.gz DZPRPTLDWSQQAI-CFVMTHIKSA-N 0 0 246.350 3.625 20 0 BHADRN CC(C)[C@H](C(=O)OC[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000744073036 585143672 /nfs/dbraw/zinc/14/36/72/585143672.db2.gz DZPRPTLDWSQQAI-QEJZJMRPSA-N 0 0 246.350 3.625 20 0 BHADRN CC(C)[C@H](C(=O)OC[C@@H]1C[C@H]1C)c1ccccc1 ZINC000744073037 585143745 /nfs/dbraw/zinc/14/37/45/585143745.db2.gz DZPRPTLDWSQQAI-SNPRPXQTSA-N 0 0 246.350 3.625 20 0 BHADRN CC(C)[C@H](C(=O)OC[C@H]1C[C@H]1C)c1ccccc1 ZINC000744073038 585143570 /nfs/dbraw/zinc/14/35/70/585143570.db2.gz DZPRPTLDWSQQAI-YUELXQCFSA-N 0 0 246.350 3.625 20 0 BHADRN C[C@H]1C[C@H]1COC(=O)CCCC1CCCC1 ZINC000744073466 585143624 /nfs/dbraw/zinc/14/36/24/585143624.db2.gz HGBQHPBIJUTRIH-AAEUAGOBSA-N 0 0 224.344 3.546 20 0 BHADRN C[C@@H]1C[C@@H]1COC(=O)CCCC1CCCC1 ZINC000744073467 585143661 /nfs/dbraw/zinc/14/36/61/585143661.db2.gz HGBQHPBIJUTRIH-DGCLKSJQSA-N 0 0 224.344 3.546 20 0 BHADRN C[C@H]1C[C@@H]1COC(=O)CCCC1CCCC1 ZINC000744073469 585143756 /nfs/dbraw/zinc/14/37/56/585143756.db2.gz HGBQHPBIJUTRIH-WCQYABFASA-N 0 0 224.344 3.546 20 0 BHADRN C[C@@H]1C[C@H]1COC(=O)CCCC1CCCC1 ZINC000744073471 585143696 /nfs/dbraw/zinc/14/36/96/585143696.db2.gz HGBQHPBIJUTRIH-YPMHNXCESA-N 0 0 224.344 3.546 20 0 BHADRN Cc1cc(COC(=O)CC2CCC2)c(C)s1 ZINC000744073955 585143723 /nfs/dbraw/zinc/14/37/23/585143723.db2.gz SLOBDSCPGJNDPS-UHFFFAOYSA-N 0 0 238.352 3.598 20 0 BHADRN C[C@H]1C[C@H]1COC(=O)C1CCCCCCC1 ZINC000744074020 585143592 /nfs/dbraw/zinc/14/35/92/585143592.db2.gz KDGMHPZTVMLANY-AAEUAGOBSA-N 0 0 224.344 3.546 20 0 BHADRN C[C@@H]1C[C@@H]1COC(=O)C1CCCCCCC1 ZINC000744074021 585143576 /nfs/dbraw/zinc/14/35/76/585143576.db2.gz KDGMHPZTVMLANY-DGCLKSJQSA-N 0 0 224.344 3.546 20 0 BHADRN C[C@H]1C[C@@H]1COC(=O)C1CCCCCCC1 ZINC000744074022 585143714 /nfs/dbraw/zinc/14/37/14/585143714.db2.gz KDGMHPZTVMLANY-WCQYABFASA-N 0 0 224.344 3.546 20 0 BHADRN C[C@@H]1C[C@H]1COC(=O)C1CCCCCCC1 ZINC000744074024 585143625 /nfs/dbraw/zinc/14/36/25/585143625.db2.gz KDGMHPZTVMLANY-YPMHNXCESA-N 0 0 224.344 3.546 20 0 BHADRN Cc1cc(C)c(COC(=O)/C=C\C2CC2)c(C)c1 ZINC000744074792 585143595 /nfs/dbraw/zinc/14/35/95/585143595.db2.gz PMXLOAZHCUHVRY-SREVYHEPSA-N 0 0 244.334 3.621 20 0 BHADRN Cc1cc(C)c(COC(=O)/C=C/C2CC2)c(C)c1 ZINC000744074797 585143741 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BHADRN Cc1cccc2cc(C(=O)OCCC3CC3)oc21 ZINC000744288377 582894016 /nfs/dbraw/zinc/89/40/16/582894016.db2.gz JBBMPJYRAPLGBX-UHFFFAOYSA-N 0 0 244.290 3.698 20 0 BHADRN CCc1sc(C(=O)OCCC2CC2)cc1C ZINC000744288471 585146840 /nfs/dbraw/zinc/14/68/40/585146840.db2.gz MNRMQQZBEACYOH-UHFFFAOYSA-N 0 0 238.352 3.576 20 0 BHADRN Cc1ccc(C(C)(C)C(=O)OCCC2CC2)cc1 ZINC000744288600 585147467 /nfs/dbraw/zinc/14/74/67/585147467.db2.gz NYHVJEXQIJBCJV-UHFFFAOYSA-N 0 0 246.350 3.616 20 0 BHADRN O=C(OCCC1CC1)c1sccc1C1CC1 ZINC000744288846 585147490 /nfs/dbraw/zinc/14/74/90/585147490.db2.gz TXFSQROGAWVIAJ-UHFFFAOYSA-N 0 0 236.336 3.582 20 0 BHADRN CCCC(=O)Oc1ccc(OC)c2ccccc12 ZINC000744319325 585148309 /nfs/dbraw/zinc/14/83/09/585148309.db2.gz PIERDZSERCDIMH-UHFFFAOYSA-N 0 0 244.290 3.554 20 0 BHADRN CCCCSCCC(=O)OCCC(C)(C)C ZINC000744324592 585148353 /nfs/dbraw/zinc/14/83/53/585148353.db2.gz KOPQLJBUTYBUQS-UHFFFAOYSA-N 0 0 246.416 3.889 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)OCCC(C)(C)C)o1 ZINC000744324638 585148362 /nfs/dbraw/zinc/14/83/62/585148362.db2.gz MNNACRXNNLKPNF-LLVKDONJSA-N 0 0 238.327 3.671 20 0 BHADRN Cc1ccc([C@H](C)C(=O)OCCC(C)(C)C)o1 ZINC000744324639 585148359 /nfs/dbraw/zinc/14/83/59/585148359.db2.gz MNNACRXNNLKPNF-NSHDSACASA-N 0 0 238.327 3.671 20 0 BHADRN CCCCS[C@H](C)C(=O)OCCC(C)(C)C ZINC000744324713 585148334 /nfs/dbraw/zinc/14/83/34/585148334.db2.gz PZQMVALAFKAVER-LLVKDONJSA-N 0 0 246.416 3.888 20 0 BHADRN CCCCS[C@@H](C)C(=O)OCCC(C)(C)C ZINC000744324714 585148354 /nfs/dbraw/zinc/14/83/54/585148354.db2.gz PZQMVALAFKAVER-NSHDSACASA-N 0 0 246.416 3.888 20 0 BHADRN CCS[C@@H](C(=O)OCCC(C)(C)C)C(C)C ZINC000744324831 585148419 /nfs/dbraw/zinc/14/84/19/585148419.db2.gz BKSTVWZJZLVJLE-LLVKDONJSA-N 0 0 246.416 3.744 20 0 BHADRN CCS[C@H](C(=O)OCCC(C)(C)C)C(C)C ZINC000744324833 585148248 /nfs/dbraw/zinc/14/82/48/585148248.db2.gz BKSTVWZJZLVJLE-NSHDSACASA-N 0 0 246.416 3.744 20 0 BHADRN CC(C)(C)CCOC(=O)c1cccc2cc[nH]c21 ZINC000744324862 585148400 /nfs/dbraw/zinc/14/84/00/585148400.db2.gz CEMBTWRSMJDEAL-UHFFFAOYSA-N 0 0 245.322 3.761 20 0 BHADRN CC(C)CCSCC(=O)OCCC(C)(C)C ZINC000744324976 585148389 /nfs/dbraw/zinc/14/83/89/585148389.db2.gz YWTABQAOIWTAMR-UHFFFAOYSA-N 0 0 246.416 3.745 20 0 BHADRN CCC(C)(C)COC(=O)CC1CCCC1 ZINC000744327821 585148387 /nfs/dbraw/zinc/14/83/87/585148387.db2.gz BREJIBIXIHAERB-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN CCC(C)(C)COC(=O)C=C(C1CC1)C1CC1 ZINC000744327833 585148296 /nfs/dbraw/zinc/14/82/96/585148296.db2.gz BYEZLUJFDDBKRL-UHFFFAOYSA-N 0 0 236.355 3.712 20 0 BHADRN CCC(C)(C)COC(=O)[C@H](C)C(C)(C)C ZINC000744328222 585148398 /nfs/dbraw/zinc/14/83/98/585148398.db2.gz GTBNMRZFAXHRME-JTQLQIEISA-N 0 0 214.349 3.648 20 0 BHADRN CCC(C)(C)COC(=O)[C@@H](C)C(C)(C)C ZINC000744328225 585148375 /nfs/dbraw/zinc/14/83/75/585148375.db2.gz GTBNMRZFAXHRME-SNVBAGLBSA-N 0 0 214.349 3.648 20 0 BHADRN CCC(C)(C)COC(=O)C1(C)CCCC1 ZINC000744328234 585148529 /nfs/dbraw/zinc/14/85/29/585148529.db2.gz HBDFXYIKRRXINA-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN CCC(C)(C)COC(=O)Cc1ccc(C)cc1 ZINC000744328388 582904210 /nfs/dbraw/zinc/90/42/10/582904210.db2.gz KQDIESMVPUOBLC-UHFFFAOYSA-N 0 0 234.339 3.517 20 0 BHADRN CCC(C)(C)COC(=O)[C@H](C)c1ccc(C)o1 ZINC000744328404 585148638 /nfs/dbraw/zinc/14/86/38/585148638.db2.gz KSVDUJOAMLWGNG-LLVKDONJSA-N 0 0 238.327 3.671 20 0 BHADRN CCC(C)(C)COC(=O)[C@@H](C)c1ccc(C)o1 ZINC000744328405 585148510 /nfs/dbraw/zinc/14/85/10/585148510.db2.gz KSVDUJOAMLWGNG-NSHDSACASA-N 0 0 238.327 3.671 20 0 BHADRN CCC(C)(C)COC(=O)c1cccc(C)c1 ZINC000744328724 585148489 /nfs/dbraw/zinc/14/84/89/585148489.db2.gz QAICUAXPFREZMH-UHFFFAOYSA-N 0 0 220.312 3.588 20 0 BHADRN CCC/C=C/C(=O)O[C@H](C)c1cccc(OC)c1 ZINC000744328746 585148635 /nfs/dbraw/zinc/14/86/35/585148635.db2.gz UCOWNNMPDBIQGK-GCZGVDRJSA-N 0 0 248.322 3.656 20 0 BHADRN CCC/C=C\C(=O)O[C@@H](C)c1cccc(OC)c1 ZINC000744328747 585148537 /nfs/dbraw/zinc/14/85/37/585148537.db2.gz UCOWNNMPDBIQGK-GYGFLDJKSA-N 0 0 248.322 3.656 20 0 BHADRN CCC/C=C/C(=O)O[C@@H](C)c1cccc(OC)c1 ZINC000744328748 585148656 /nfs/dbraw/zinc/14/86/56/585148656.db2.gz UCOWNNMPDBIQGK-JXPAYYINSA-N 0 0 248.322 3.656 20 0 BHADRN CCC/C=C\C(=O)O[C@H](C)c1cccc(OC)c1 ZINC000744328749 585148632 /nfs/dbraw/zinc/14/86/32/585148632.db2.gz UCOWNNMPDBIQGK-XTOZHPGHSA-N 0 0 248.322 3.656 20 0 BHADRN CCC(C)(C)COC(=O)C1CCCCC1 ZINC000744329040 585148493 /nfs/dbraw/zinc/14/84/93/585148493.db2.gz RPJGXGYHUKBLQS-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN CCC(C)(C)COC(=O)c1cc(F)cc(F)c1 ZINC000744329053 585148486 /nfs/dbraw/zinc/14/84/86/585148486.db2.gz SEQYEMCFYAIJEJ-UHFFFAOYSA-N 0 0 242.265 3.558 20 0 BHADRN CCC(C)(C)COC(=O)c1ccccc1Cl ZINC000744329054 585148626 /nfs/dbraw/zinc/14/86/26/585148626.db2.gz SFEPBMUMYUCDNS-UHFFFAOYSA-N 0 0 240.730 3.933 20 0 BHADRN CCC(C)(C)COC(=O)Cc1cccc(C)c1 ZINC000744329088 632862109 /nfs/dbraw/zinc/86/21/09/632862109.db2.gz UXYCUPNBNYBKBI-UHFFFAOYSA-N 0 0 234.339 3.517 20 0 BHADRN CCC(C)(C)COC(=O)c1sccc1C ZINC000744329182 585148582 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KCESXRNQETYAFD-UHFFFAOYSA-N 0 0 214.349 3.792 20 0 BHADRN CCC(C)(C)COC(=O)CSCCC(C)C ZINC000744329914 585148583 /nfs/dbraw/zinc/14/85/83/585148583.db2.gz KPLLHNNLNSCOQW-UHFFFAOYSA-N 0 0 246.416 3.745 20 0 BHADRN CCC(C)(C)COC(=O)[C@@H](C)c1cccs1 ZINC000744330199 585148517 /nfs/dbraw/zinc/14/85/17/585148517.db2.gz NEXQZGDOHJVVME-JTQLQIEISA-N 0 0 240.368 3.831 20 0 BHADRN CCC(C)(C)COC(=O)[C@H](C)c1cccs1 ZINC000744330200 585148619 /nfs/dbraw/zinc/14/86/19/585148619.db2.gz NEXQZGDOHJVVME-SNVBAGLBSA-N 0 0 240.368 3.831 20 0 BHADRN CCC(C)(C)COC(=O)C(C)(C)c1ccccc1 ZINC000744330232 585148494 /nfs/dbraw/zinc/14/84/94/585148494.db2.gz PCQORLWDICUFNR-UHFFFAOYSA-N 0 0 248.366 3.944 20 0 BHADRN CCC(C)(C)COC(=O)Cc1ccc(C)s1 ZINC000744330269 585148643 /nfs/dbraw/zinc/14/86/43/585148643.db2.gz RJMMZPNUQMLCQP-UHFFFAOYSA-N 0 0 240.368 3.578 20 0 BHADRN CC/C=C(/C)C(=O)O[C@@H](C)c1cccc(OC)c1 ZINC000744330367 585148548 /nfs/dbraw/zinc/14/85/48/585148548.db2.gz PUSZRILWRIVZST-RDQDRAATSA-N 0 0 248.322 3.656 20 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ZINC000744330772 585148586 /nfs/dbraw/zinc/14/85/86/585148586.db2.gz ZQDRHDVVPSGIRM-UHFFFAOYSA-N 0 0 242.265 3.558 20 0 BHADRN CCC(C)(C)COC(=O)c1ccccc1C ZINC000744330871 582905988 /nfs/dbraw/zinc/90/59/88/582905988.db2.gz ADCMQLQOTOLBGU-UHFFFAOYSA-N 0 0 220.312 3.588 20 0 BHADRN CCC(C)(C)COC(=O)CCc1ccsc1 ZINC000744330874 585148528 /nfs/dbraw/zinc/14/85/28/585148528.db2.gz AHYKQHHLHHKMJC-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CCC(C)(C)COC(=O)/C=C\c1ccccc1 ZINC000744330895 585148590 /nfs/dbraw/zinc/14/85/90/585148590.db2.gz AWVBXJDWCSRABF-KHPPLWFESA-N 0 0 232.323 3.679 20 0 BHADRN CCC(C)(C)COC(=O)/C=C/c1ccccc1 ZINC000744330896 585148545 /nfs/dbraw/zinc/14/85/45/585148545.db2.gz AWVBXJDWCSRABF-ZHACJKMWSA-N 0 0 232.323 3.679 20 0 BHADRN CCC(C)(C)COC(=O)/C=C/c1cccs1 ZINC000744331178 585148616 /nfs/dbraw/zinc/14/86/16/585148616.db2.gz GLIBCCVLXOLUJV-BQYQJAHWSA-N 0 0 238.352 3.741 20 0 BHADRN CCC(C)(C)COC(=O)/C=C\c1cccs1 ZINC000744331179 585148475 /nfs/dbraw/zinc/14/84/75/585148475.db2.gz GLIBCCVLXOLUJV-FPLPWBNLSA-N 0 0 238.352 3.741 20 0 BHADRN CCC(C)(C)COC(=O)c1ccc(SC)o1 ZINC000744331218 585148535 /nfs/dbraw/zinc/14/85/35/585148535.db2.gz IDJYCYRGLYMQKT-UHFFFAOYSA-N 0 0 242.340 3.595 20 0 BHADRN CCC(C)(C)COC(=O)c1ccc(F)c(F)c1 ZINC000744331239 585148562 /nfs/dbraw/zinc/14/85/62/585148562.db2.gz JAKLRYAFBRYLTN-UHFFFAOYSA-N 0 0 242.265 3.558 20 0 BHADRN CCC(C)(C)COC(=O)c1cc(C)ccc1F ZINC000744331459 585148646 /nfs/dbraw/zinc/14/86/46/585148646.db2.gz LWMAOVABTJPICM-UHFFFAOYSA-N 0 0 238.302 3.727 20 0 BHADRN CCC(C)(C)COC(=O)c1ccc(C)cc1 ZINC000744331733 585148554 /nfs/dbraw/zinc/14/85/54/585148554.db2.gz CAJVMALGRHWROA-UHFFFAOYSA-N 0 0 220.312 3.588 20 0 BHADRN CCC(C)(C)COC(=O)CCc1ccccc1 ZINC000744331776 585148488 /nfs/dbraw/zinc/14/84/88/585148488.db2.gz FCPXGWZQTIZKGQ-UHFFFAOYSA-N 0 0 234.339 3.599 20 0 BHADRN CCC(C)(C)COC(=O)CCc1cccs1 ZINC000744331787 582907462 /nfs/dbraw/zinc/90/74/62/582907462.db2.gz VHRNGJPQXQCNNR-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CCC(C)(C)COC(=O)c1ccc(C)s1 ZINC000744331806 585148559 /nfs/dbraw/zinc/14/85/59/585148559.db2.gz WFYRQINJJURMII-UHFFFAOYSA-N 0 0 226.341 3.650 20 0 BHADRN CCC(C)(C)COC(=O)c1ccc(Cl)o1 ZINC000744331812 582907580 /nfs/dbraw/zinc/90/75/80/582907580.db2.gz WQZSOBNCTDBFEI-UHFFFAOYSA-N 0 0 230.691 3.526 20 0 BHADRN CCC(C)(C)COC(=O)C1(c2ccccc2)CC1 ZINC000744331911 585148280 /nfs/dbraw/zinc/14/82/80/585148280.db2.gz FRZPMDDQMDURJP-UHFFFAOYSA-N 0 0 246.350 3.698 20 0 BHADRN CCC(C)(C)COC(=O)c1cccc2cc[nH]c21 ZINC000744331991 585148642 /nfs/dbraw/zinc/14/86/42/585148642.db2.gz JZBKOKTZONPLBU-UHFFFAOYSA-N 0 0 245.322 3.761 20 0 BHADRN CCC(C)(C)COC(=O)CC1=CCCCC1 ZINC000744332009 585148603 /nfs/dbraw/zinc/14/86/03/585148603.db2.gz KTBWMNTZDMRWTE-UHFFFAOYSA-N 0 0 224.344 3.856 20 0 BHADRN CCS[C@@H](C(=O)OCC(C)(C)CC)C(C)C ZINC000744332231 585148327 /nfs/dbraw/zinc/14/83/27/585148327.db2.gz QBOGFRNSEKOVFO-LLVKDONJSA-N 0 0 246.416 3.744 20 0 BHADRN CCS[C@H](C(=O)OCC(C)(C)CC)C(C)C ZINC000744332232 585148437 /nfs/dbraw/zinc/14/84/37/585148437.db2.gz QBOGFRNSEKOVFO-NSHDSACASA-N 0 0 246.416 3.744 20 0 BHADRN CCC(C)(C)COC(=O)c1ccc(F)cc1F ZINC000744332539 585148595 /nfs/dbraw/zinc/14/85/95/585148595.db2.gz WMXMOMCYUZFVIK-UHFFFAOYSA-N 0 0 242.265 3.558 20 0 BHADRN CCC(C)(C)COC(=O)c1cc(F)ccc1F ZINC000744332704 585148492 /nfs/dbraw/zinc/14/84/92/585148492.db2.gz YNJVXGAICLLODS-UHFFFAOYSA-N 0 0 242.265 3.558 20 0 BHADRN CCC(C)(C)COC(=O)c1ccc(Cl)s1 ZINC000744332791 585148594 /nfs/dbraw/zinc/14/85/94/585148594.db2.gz ZOOXMAAFGCPEHZ-UHFFFAOYSA-N 0 0 246.759 3.995 20 0 BHADRN CCC(C)(C)COC(=O)Cc1ccccc1C ZINC000744332800 585148568 /nfs/dbraw/zinc/14/85/68/585148568.db2.gz ZVESTFGHTAUVHW-UHFFFAOYSA-N 0 0 234.339 3.517 20 0 BHADRN C[C@@H](OC(=O)CCCC(C)(C)C)C(F)(F)F ZINC000744335113 582909507 /nfs/dbraw/zinc/90/95/07/582909507.db2.gz GBTUSXDBKBHYJT-MRVPVSSYSA-N 0 0 240.265 3.697 20 0 BHADRN C[C@H](OC(=O)CCCC(C)(C)C)C(F)(F)F ZINC000744335114 582909377 /nfs/dbraw/zinc/90/93/77/582909377.db2.gz GBTUSXDBKBHYJT-QMMMGPOBSA-N 0 0 240.265 3.697 20 0 BHADRN CC[C@@H](CC(=O)O[C@H](C)C(F)(F)F)C(C)C ZINC000744336590 585148813 /nfs/dbraw/zinc/14/88/13/585148813.db2.gz JSADZINVBBAUBQ-BDAKNGLRSA-N 0 0 240.265 3.553 20 0 BHADRN CC[C@H](CC(=O)O[C@@H](C)C(F)(F)F)C(C)C ZINC000744336591 585148683 /nfs/dbraw/zinc/14/86/83/585148683.db2.gz JSADZINVBBAUBQ-DTWKUNHWSA-N 0 0 240.265 3.553 20 0 BHADRN CC[C@@H](CC(=O)O[C@@H](C)C(F)(F)F)C(C)C ZINC000744336592 585148739 /nfs/dbraw/zinc/14/87/39/585148739.db2.gz JSADZINVBBAUBQ-IUCAKERBSA-N 0 0 240.265 3.553 20 0 BHADRN CC[C@H](CC(=O)O[C@H](C)C(F)(F)F)C(C)C ZINC000744336593 585148733 /nfs/dbraw/zinc/14/87/33/585148733.db2.gz JSADZINVBBAUBQ-RKDXNWHRSA-N 0 0 240.265 3.553 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)O[C@@H](C)C(F)(F)F ZINC000744336663 585148704 /nfs/dbraw/zinc/14/87/04/585148704.db2.gz MAEPCZASAXLBDI-BDAKNGLRSA-N 0 0 240.265 3.553 20 0 BHADRN CC(C)C[C@H](C)CC(=O)O[C@H](C)C(F)(F)F ZINC000744336664 585148797 /nfs/dbraw/zinc/14/87/97/585148797.db2.gz MAEPCZASAXLBDI-DTWKUNHWSA-N 0 0 240.265 3.553 20 0 BHADRN CC(C)C[C@H](C)CC(=O)O[C@@H](C)C(F)(F)F ZINC000744336665 585148740 /nfs/dbraw/zinc/14/87/40/585148740.db2.gz MAEPCZASAXLBDI-IUCAKERBSA-N 0 0 240.265 3.553 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)O[C@H](C)C(F)(F)F ZINC000744336666 585148819 /nfs/dbraw/zinc/14/88/19/585148819.db2.gz MAEPCZASAXLBDI-RKDXNWHRSA-N 0 0 240.265 3.553 20 0 BHADRN CCC(C)(C)CCOC(=O)CCC1CC1 ZINC000744340435 585149091 /nfs/dbraw/zinc/14/90/91/585149091.db2.gz QDQNVTQIXVZBSB-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN CCC(C)(C)CCOC(=O)c1ccoc1C ZINC000744340451 582919039 /nfs/dbraw/zinc/91/90/39/582919039.db2.gz QVZPRIWEYPRGIB-UHFFFAOYSA-N 0 0 224.300 3.571 20 0 BHADRN CCCCO[C@H](C)C(=O)OCCC(C)(C)CC ZINC000744340455 582918891 /nfs/dbraw/zinc/91/88/91/582918891.db2.gz QXGREZGUOLYSEK-GFCCVEGCSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCO[C@@H](C)C(=O)OCCC(C)(C)CC ZINC000744340456 582918935 /nfs/dbraw/zinc/91/89/35/582918935.db2.gz QXGREZGUOLYSEK-LBPRGKRZSA-N 0 0 244.375 3.561 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@H]1Cc2ccccc21 ZINC000744340565 582918683 /nfs/dbraw/zinc/91/86/83/582918683.db2.gz BKZJBPLEPFHRQQ-AWEZNQCLSA-N 0 0 246.350 3.696 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@@H]1Cc2ccccc21 ZINC000744340567 582918779 /nfs/dbraw/zinc/91/87/79/582918779.db2.gz BKZJBPLEPFHRQQ-CQSZACIVSA-N 0 0 246.350 3.696 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@@H](C)C(F)(F)F ZINC000744340608 585148954 /nfs/dbraw/zinc/14/89/54/585148954.db2.gz BRFMAZJSQBIRDL-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@H](C)C(F)(F)F ZINC000744340610 585149052 /nfs/dbraw/zinc/14/90/52/585149052.db2.gz BRFMAZJSQBIRDL-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@H](C)C(C)C ZINC000744340697 585149050 /nfs/dbraw/zinc/14/90/50/585149050.db2.gz DPSCEQXKGDNBNY-LLVKDONJSA-N 0 0 214.349 3.648 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@@H](C)C(C)C ZINC000744340698 585148288 /nfs/dbraw/zinc/14/82/88/585148288.db2.gz DPSCEQXKGDNBNY-NSHDSACASA-N 0 0 214.349 3.648 20 0 BHADRN CCC(C)(C)CCOC(=O)c1ccc(C)nc1C ZINC000744340715 585148266 /nfs/dbraw/zinc/14/82/66/585148266.db2.gz FEMDIFOVUSTNBU-UHFFFAOYSA-N 0 0 249.354 3.682 20 0 BHADRN CCC(C)(C)CCOC(=O)c1ccc(Cl)o1 ZINC000744340744 585148893 /nfs/dbraw/zinc/14/88/93/585148893.db2.gz GGPYVFXGTLEFJU-UHFFFAOYSA-N 0 0 244.718 3.916 20 0 BHADRN CCC(C)(C)CCOC(=O)CC(C)(C)C ZINC000744340786 585148862 /nfs/dbraw/zinc/14/88/62/585148862.db2.gz HVTIXOGCKRDCDJ-UHFFFAOYSA-N 0 0 214.349 3.792 20 0 BHADRN CCC(C)(C)CCOC(=O)/C=C/c1ccco1 ZINC000744341006 585149021 /nfs/dbraw/zinc/14/90/21/585149021.db2.gz CUWUIYVUPOWPEF-BQYQJAHWSA-N 0 0 236.311 3.662 20 0 BHADRN CCC(C)(C)CCOC(=O)/C=C\c1ccco1 ZINC000744341007 585148915 /nfs/dbraw/zinc/14/89/15/585148915.db2.gz CUWUIYVUPOWPEF-FPLPWBNLSA-N 0 0 236.311 3.662 20 0 BHADRN CCC(C)(C)CCOC(=O)Cc1ccsc1 ZINC000744341015 585148888 /nfs/dbraw/zinc/14/88/88/585148888.db2.gz DCBBWNJHVRSPKJ-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CCC(C)(C)CCOC(=O)CCCCSC ZINC000744341051 585149023 /nfs/dbraw/zinc/14/90/23/585149023.db2.gz INUGHNQZUSBXSQ-UHFFFAOYSA-N 0 0 246.416 3.889 20 0 BHADRN CCC(C)(C)CCOC(=O)CCC(C)(F)F ZINC000744341092 585149105 /nfs/dbraw/zinc/14/91/05/585149105.db2.gz KGFQBFNGVYQYAT-UHFFFAOYSA-N 0 0 236.302 3.791 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@@H]1CC=CCC1 ZINC000744341428 582920914 /nfs/dbraw/zinc/92/09/14/582920914.db2.gz OYCPXCDFNKJSCS-GFCCVEGCSA-N 0 0 224.344 3.712 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@H]1CC=CCC1 ZINC000744341429 582920778 /nfs/dbraw/zinc/92/07/78/582920778.db2.gz OYCPXCDFNKJSCS-LBPRGKRZSA-N 0 0 224.344 3.712 20 0 BHADRN CCC(C)(C)CCOC(=O)C[C@@H](C)C1CC1 ZINC000744341605 585148994 /nfs/dbraw/zinc/14/89/94/585148994.db2.gz RYVKFDFSFMMOKU-LLVKDONJSA-N 0 0 226.360 3.792 20 0 BHADRN CCC(C)(C)CCOC(=O)C[C@H](C)C1CC1 ZINC000744341606 585148861 /nfs/dbraw/zinc/14/88/61/585148861.db2.gz RYVKFDFSFMMOKU-NSHDSACASA-N 0 0 226.360 3.792 20 0 BHADRN CCC(C)(C)CCOC(=O)CCC(F)(F)F ZINC000744341638 585149098 /nfs/dbraw/zinc/14/90/98/585149098.db2.gz SZFURYBHYQMETP-UHFFFAOYSA-N 0 0 240.265 3.698 20 0 BHADRN CCC(C)(C)CCOC(=O)C[C@@H]1C=CCC1 ZINC000744341641 585148992 /nfs/dbraw/zinc/14/89/92/585148992.db2.gz TYTHTPNXSYHXPO-GFCCVEGCSA-N 0 0 224.344 3.712 20 0 BHADRN CCC(C)(C)CCOC(=O)C[C@H]1C=CCC1 ZINC000744341642 585149058 /nfs/dbraw/zinc/14/90/58/585149058.db2.gz TYTHTPNXSYHXPO-LBPRGKRZSA-N 0 0 224.344 3.712 20 0 BHADRN CCC(C)(C)CCOC(=O)c1cc(Cl)c[nH]1 ZINC000744341703 585149039 /nfs/dbraw/zinc/14/90/39/585149039.db2.gz VONVBGBZXOZDDH-UHFFFAOYSA-N 0 0 243.734 3.651 20 0 BHADRN CCC(C)(C)CCOC(=O)c1ccc(C)o1 ZINC000744341706 582920954 /nfs/dbraw/zinc/92/09/54/582920954.db2.gz VSPRVSWXVMJWRV-UHFFFAOYSA-N 0 0 224.300 3.571 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@H](C)c1ccco1 ZINC000744341906 585148872 /nfs/dbraw/zinc/14/88/72/585148872.db2.gz FXJDINXGDNINFU-LLVKDONJSA-N 0 0 238.327 3.753 20 0 BHADRN CCC(C)(C)CCOC(=O)[C@@H](C)c1ccco1 ZINC000744341907 585148894 /nfs/dbraw/zinc/14/88/94/585148894.db2.gz FXJDINXGDNINFU-NSHDSACASA-N 0 0 238.327 3.753 20 0 BHADRN CCC[C@@H](C)C(=O)OCCC(C)(C)CC ZINC000744342117 582920600 /nfs/dbraw/zinc/92/06/00/582920600.db2.gz KLLMWVFRTOPJPF-LLVKDONJSA-N 0 0 214.349 3.792 20 0 BHADRN CCC[C@H](C)C(=O)OCCC(C)(C)CC ZINC000744342118 582920849 /nfs/dbraw/zinc/92/08/49/582920849.db2.gz KLLMWVFRTOPJPF-NSHDSACASA-N 0 0 214.349 3.792 20 0 BHADRN CCC(CC)C(=O)OCCC(C)(C)CC ZINC000744342154 585148953 /nfs/dbraw/zinc/14/89/53/585148953.db2.gz LPHNQNNCZPXWJE-UHFFFAOYSA-N 0 0 214.349 3.792 20 0 BHADRN CCC(C)(C)CCOC(=O)Cc1cccs1 ZINC000744342172 585149065 /nfs/dbraw/zinc/14/90/65/585149065.db2.gz LXZRALNSNWVQKZ-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CCC(C)(C)CCOC(=O)CSC(C)(C)C ZINC000744342318 585148950 /nfs/dbraw/zinc/14/89/50/585148950.db2.gz BHDKEXNMBOBJGM-UHFFFAOYSA-N 0 0 246.416 3.888 20 0 BHADRN CCC(C)(C)CCOC(=O)CCc1ccco1 ZINC000744342750 582922188 /nfs/dbraw/zinc/92/21/88/582922188.db2.gz PKTONIJUNLXMIH-UHFFFAOYSA-N 0 0 238.327 3.582 20 0 BHADRN CCC(C)(C)CCOC(=O)c1occc1C ZINC000744342809 582922264 /nfs/dbraw/zinc/92/22/64/582922264.db2.gz QAKKGVURUSBMJK-UHFFFAOYSA-N 0 0 224.300 3.571 20 0 BHADRN CCC(C)(C)CCOC(=O)CC1CCC1 ZINC000744343165 585148910 /nfs/dbraw/zinc/14/89/10/585148910.db2.gz SZBKUZNONMGXOL-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN CCC(C)(C)CCOC(=O)c1ccccc1F ZINC000744343260 585149066 /nfs/dbraw/zinc/14/90/66/585149066.db2.gz VNPJKANRNYRVAW-UHFFFAOYSA-N 0 0 238.302 3.809 20 0 BHADRN CCC(C)(C)CCOC(=O)c1cccs1 ZINC000744343453 585148885 /nfs/dbraw/zinc/14/88/85/585148885.db2.gz WGPZHZBGYPSPMI-UHFFFAOYSA-N 0 0 226.341 3.731 20 0 BHADRN CCCCC(=O)OCCC(C)(C)CC ZINC000744343501 585148920 /nfs/dbraw/zinc/14/89/20/585148920.db2.gz WWZSUIHINRICAO-UHFFFAOYSA-N 0 0 200.322 3.546 20 0 BHADRN CCC(C)(C)CCOC(=O)C1CCCC1 ZINC000744343504 585148908 /nfs/dbraw/zinc/14/89/08/585148908.db2.gz XEANLFSKLZSQCC-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN Cc1cccc(C)c1C(=O)Oc1ccc(F)cc1 ZINC000744347743 585149489 /nfs/dbraw/zinc/14/94/89/585149489.db2.gz BSAQHOGWTDHLBA-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN CC(C)(C)c1ccccc1NC(=O)/C=C\C1CC1 ZINC000744349251 585149365 /nfs/dbraw/zinc/14/93/65/585149365.db2.gz DRJUXIYAWRIMEF-KHPPLWFESA-N 0 0 243.350 3.889 20 0 BHADRN Cc1cccc(C)c1C(=O)N1CCCCCCC1 ZINC000744349725 585149377 /nfs/dbraw/zinc/14/93/77/585149377.db2.gz BCDIPZZTRWYRFZ-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN Cc1cccc(C)c1C(=O)Oc1cccc(F)c1 ZINC000744350291 585149328 /nfs/dbraw/zinc/14/93/28/585149328.db2.gz RCYTVOTZVNCYPL-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN CC[C@H]1CCCC[C@H]1OC(=O)c1cncc(C)c1 ZINC000744350362 585149376 /nfs/dbraw/zinc/14/93/76/585149376.db2.gz NFFWEZZQOVELNP-GXTWGEPZSA-N 0 0 247.338 3.516 20 0 BHADRN CC[C@H]1CCCC[C@@H]1OC(=O)c1cncc(C)c1 ZINC000744350364 585149125 /nfs/dbraw/zinc/14/91/25/585149125.db2.gz NFFWEZZQOVELNP-JSGCOSHPSA-N 0 0 247.338 3.516 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1OC(=O)c1cncc(C)c1 ZINC000744350366 582925110 /nfs/dbraw/zinc/92/51/10/582925110.db2.gz NFFWEZZQOVELNP-OCCSQVGLSA-N 0 0 247.338 3.516 20 0 BHADRN CC[C@@H]1CCCC[C@H]1OC(=O)c1cncc(C)c1 ZINC000744350370 582925350 /nfs/dbraw/zinc/92/53/50/582925350.db2.gz NFFWEZZQOVELNP-TZMCWYRMSA-N 0 0 247.338 3.516 20 0 BHADRN Cc1cccc(C)c1C(=O)Oc1ccccc1F ZINC000744350782 585149228 /nfs/dbraw/zinc/14/92/28/585149228.db2.gz WNPYZLCTCNCRHK-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN Cc1ccc(C)c(OC(=O)CC2CCC2)c1C ZINC000744352017 585149501 /nfs/dbraw/zinc/14/95/01/585149501.db2.gz UCBFNUVLVASAOE-UHFFFAOYSA-N 0 0 232.323 3.707 20 0 BHADRN Cc1cc(C)c(NC(=O)/C=C\C2CC2)c(Cl)c1 ZINC000744352358 585149165 /nfs/dbraw/zinc/14/91/65/585149165.db2.gz FBUWFOQIKLMPNS-WAYWQWQTSA-N 0 0 249.741 3.862 20 0 BHADRN CCCCN(C(=O)/C=C\C1CC1)c1ccccc1 ZINC000744352551 585149324 /nfs/dbraw/zinc/14/93/24/585149324.db2.gz ANZBEEQTZVBXCX-QXMHVHEDSA-N 0 0 243.350 3.786 20 0 BHADRN CCCCN(C(=O)/C=C/C1CC1)c1ccccc1 ZINC000744352552 585149164 /nfs/dbraw/zinc/14/91/64/585149164.db2.gz ANZBEEQTZVBXCX-VAWYXSNFSA-N 0 0 243.350 3.786 20 0 BHADRN CCN(C(=O)/C=C\C1CC1)c1ccccc1Cl ZINC000744358265 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C[C@@H](C(=O)O[C@H]1C=CCCC1)c1cccc(F)c1 ZINC000745364960 585158996 /nfs/dbraw/zinc/15/89/96/585158996.db2.gz LIJTXCNJESAJHV-RISCZKNCSA-N 0 0 248.297 3.581 20 0 BHADRN C[C@H](C(=O)O[C@@H]1C=CCCC1)c1cccc(F)c1 ZINC000745364962 585159035 /nfs/dbraw/zinc/15/90/35/585159035.db2.gz LIJTXCNJESAJHV-SMDDNHRTSA-N 0 0 248.297 3.581 20 0 BHADRN CCCCC[C@@H](C)CC(=O)OC/C=C\Cl ZINC000745490843 644574588 /nfs/dbraw/zinc/57/45/88/644574588.db2.gz HFSJTEZGRNWKBW-BPOWMSRESA-N 0 0 232.751 3.889 20 0 BHADRN CCCCC[C@H](C)CC(=O)OC/C=C/Cl ZINC000745490844 644574865 /nfs/dbraw/zinc/57/48/65/644574865.db2.gz HFSJTEZGRNWKBW-IOCXFXADSA-N 0 0 232.751 3.889 20 0 BHADRN CCCCC[C@H](C)CC(=O)OC/C=C\Cl ZINC000745490845 644575171 /nfs/dbraw/zinc/57/51/71/644575171.db2.gz HFSJTEZGRNWKBW-JYKYSHPRSA-N 0 0 232.751 3.889 20 0 BHADRN CCCCC[C@@H](C)CC(=O)OC/C=C/Cl ZINC000745490846 644574971 /nfs/dbraw/zinc/57/49/71/644574971.db2.gz HFSJTEZGRNWKBW-LXSSAFMLSA-N 0 0 232.751 3.889 20 0 BHADRN CCCCC[C@@H](C)CC(=O)O[C@@H](C)C(=O)CC ZINC000745492820 644574748 /nfs/dbraw/zinc/57/47/48/644574748.db2.gz VGCBMELTCRUAMF-NEPJUHHUSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@H](C)CC(=O)O[C@H](C)C(=O)CC ZINC000745492821 644575438 /nfs/dbraw/zinc/57/54/38/644575438.db2.gz VGCBMELTCRUAMF-NWDGAFQWSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@H](C)CC(=O)O[C@@H](C)C(=O)CC ZINC000745492823 644574229 /nfs/dbraw/zinc/57/42/29/644574229.db2.gz VGCBMELTCRUAMF-RYUDHWBXSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@@H](C)CC(=O)O[C@H](C)C(=O)CC ZINC000745492824 644574314 /nfs/dbraw/zinc/57/43/14/644574314.db2.gz VGCBMELTCRUAMF-VXGBXAGGSA-N 0 0 242.359 3.504 20 0 BHADRN Cc1cncc(C(=O)OCCC2CCCCC2)c1 ZINC000745506701 644576321 /nfs/dbraw/zinc/57/63/21/644576321.db2.gz BUBXOVGVIZACAA-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN Cc1cncc(C(=O)OCCCC2CCCC2)c1 ZINC000745507591 644576055 /nfs/dbraw/zinc/57/60/55/644576055.db2.gz LTTZGMADCDTGRE-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN CCCC[C@H](CCC)OC(=O)c1cncc(C)c1 ZINC000745508126 644576755 /nfs/dbraw/zinc/57/67/55/644576755.db2.gz YRMLFTDKKAUCMJ-AWEZNQCLSA-N 0 0 249.354 3.906 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)c1cncc(C)c1 ZINC000745508127 644576299 /nfs/dbraw/zinc/57/62/99/644576299.db2.gz YRMLFTDKKAUCMJ-CQSZACIVSA-N 0 0 249.354 3.906 20 0 BHADRN CC[C@H](C)OC(=O)[C@@H](c1ccccc1)C(C)C ZINC000745550603 644576013 /nfs/dbraw/zinc/57/60/13/644576013.db2.gz HVDWRRRSWCRPEF-GXTWGEPZSA-N 0 0 234.339 3.768 20 0 BHADRN CC[C@H](C)OC(=O)[C@H](c1ccccc1)C(C)C ZINC000745550605 644576757 /nfs/dbraw/zinc/57/67/57/644576757.db2.gz HVDWRRRSWCRPEF-JSGCOSHPSA-N 0 0 234.339 3.768 20 0 BHADRN CC[C@@H](C)OC(=O)[C@H](c1ccccc1)C(C)C ZINC000745550606 644577029 /nfs/dbraw/zinc/57/70/29/644577029.db2.gz HVDWRRRSWCRPEF-OCCSQVGLSA-N 0 0 234.339 3.768 20 0 BHADRN CC[C@@H](C)OC(=O)[C@@H](c1ccccc1)C(C)C ZINC000745550608 644576969 /nfs/dbraw/zinc/57/69/69/644576969.db2.gz HVDWRRRSWCRPEF-TZMCWYRMSA-N 0 0 234.339 3.768 20 0 BHADRN CC[C@H](OC(=O)/C=C\C1CC1)c1ccccc1 ZINC000745551825 644577173 /nfs/dbraw/zinc/57/71/73/644577173.db2.gz FBFVNMKHMMCROD-BMSUMIBZSA-N 0 0 230.307 3.647 20 0 BHADRN CC[C@@H](OC(=O)/C=C\C1CC1)c1ccccc1 ZINC000745551826 644576861 /nfs/dbraw/zinc/57/68/61/644576861.db2.gz FBFVNMKHMMCROD-IWMPZKFUSA-N 0 0 230.307 3.647 20 0 BHADRN CC[C@@H](OC(=O)/C=C/C1CC1)c1ccccc1 ZINC000745551827 644576216 /nfs/dbraw/zinc/57/62/16/644576216.db2.gz FBFVNMKHMMCROD-PLSXKVAHSA-N 0 0 230.307 3.647 20 0 BHADRN CC[C@H](OC(=O)/C=C/C1CC1)c1ccccc1 ZINC000745551828 644577208 /nfs/dbraw/zinc/57/72/08/644577208.db2.gz FBFVNMKHMMCROD-VNDWYCCKSA-N 0 0 230.307 3.647 20 0 BHADRN C[C@@H](CCc1ccccc1)OC(=O)/C=C\C1CC1 ZINC000745559529 585159606 /nfs/dbraw/zinc/15/96/06/585159606.db2.gz VISDYRMYHFUEDQ-HHQWOOOKSA-N 0 0 244.334 3.517 20 0 BHADRN C[C@H](CCc1ccccc1)OC(=O)/C=C/C1CC1 ZINC000745559531 585159726 /nfs/dbraw/zinc/15/97/26/585159726.db2.gz VISDYRMYHFUEDQ-XZHRJIJLSA-N 0 0 244.334 3.517 20 0 BHADRN C[C@H](CCc1ccccc1)OC(=O)/C=C\C1CC1 ZINC000745559533 585159783 /nfs/dbraw/zinc/15/97/83/585159783.db2.gz VISDYRMYHFUEDQ-YLGBQOPLSA-N 0 0 244.334 3.517 20 0 BHADRN C[C@@H](CCc1ccccc1)OC(=O)/C=C/C1CC1 ZINC000745559534 585159766 /nfs/dbraw/zinc/15/97/66/585159766.db2.gz VISDYRMYHFUEDQ-YLSINNKHSA-N 0 0 244.334 3.517 20 0 BHADRN Cc1cc(C)cc(COC(=O)CC2CCC2)c1 ZINC000745569642 585159717 /nfs/dbraw/zinc/15/97/17/585159717.db2.gz KCCJMZMRGDFGRM-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN CC[C@H](OC(=O)CC1CCC1)c1ccccc1 ZINC000745570708 585159922 /nfs/dbraw/zinc/15/99/22/585159922.db2.gz XYVXLWSBBRHDCX-AWEZNQCLSA-N 0 0 232.323 3.871 20 0 BHADRN CC[C@@H](OC(=O)CC1CCC1)c1ccccc1 ZINC000745570709 644576787 /nfs/dbraw/zinc/57/67/87/644576787.db2.gz XYVXLWSBBRHDCX-CQSZACIVSA-N 0 0 232.323 3.871 20 0 BHADRN O=C(CC1CCC1)OCCCC1CCCC1 ZINC000745570902 585159899 /nfs/dbraw/zinc/15/98/99/585159899.db2.gz NIASJORBEQMVER-UHFFFAOYSA-N 0 0 224.344 3.690 20 0 BHADRN C[C@H](COC(=O)CC1CCC1)c1ccccc1 ZINC000745571131 584027418 /nfs/dbraw/zinc/02/74/18/584027418.db2.gz CWSFPWNYSYDQKL-GFCCVEGCSA-N 0 0 232.323 3.524 20 0 BHADRN C[C@@H](COC(=O)CC1CCC1)c1ccccc1 ZINC000745571132 584027566 /nfs/dbraw/zinc/02/75/66/584027566.db2.gz CWSFPWNYSYDQKL-LBPRGKRZSA-N 0 0 232.323 3.524 20 0 BHADRN C[C@H](CCc1ccccc1)OC(=O)CC1CCC1 ZINC000745572589 585159629 /nfs/dbraw/zinc/15/96/29/585159629.db2.gz BFFLDWDMJQVOCO-CYBMUJFWSA-N 0 0 246.350 3.741 20 0 BHADRN C[C@@H](CCc1ccccc1)OC(=O)CC1CCC1 ZINC000745572590 585159754 /nfs/dbraw/zinc/15/97/54/585159754.db2.gz BFFLDWDMJQVOCO-ZDUSSCGKSA-N 0 0 246.350 3.741 20 0 BHADRN Cc1cccc(C)c1COC(=O)CC1CCC1 ZINC000745572710 585159842 /nfs/dbraw/zinc/15/98/42/585159842.db2.gz ZNIBWQBPSKKGPT-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN Cc1ccc(C)c(COC(=O)CC2CCC2)c1 ZINC000745574336 584027123 /nfs/dbraw/zinc/02/71/23/584027123.db2.gz ZUQSFHRKAJDXIP-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN CCCOC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000745580613 585159815 /nfs/dbraw/zinc/15/98/15/585159815.db2.gz FWIRMTJWVWLJDI-UHFFFAOYSA-N 0 0 232.279 3.616 20 0 BHADRN C/C=C\COC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000745581421 585159911 /nfs/dbraw/zinc/15/99/11/585159911.db2.gz XRCGWWNHNKQIGD-PLNGDYQASA-N 0 0 244.290 3.783 20 0 BHADRN C/C=C/COC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000745581422 585159963 /nfs/dbraw/zinc/15/99/63/585159963.db2.gz XRCGWWNHNKQIGD-SNAWJCMRSA-N 0 0 244.290 3.783 20 0 BHADRN C/C(=C\C(=O)O[C@@H]1C=CCCC1)C(C)(C)C ZINC000745599266 585160021 /nfs/dbraw/zinc/16/00/21/585160021.db2.gz JETUJFOARMZIBQ-HCRIHEDKSA-N 0 0 222.328 3.631 20 0 BHADRN C/C(=C\C(=O)O[C@H]1C=CCCC1)C(C)(C)C ZINC000745599267 585160049 /nfs/dbraw/zinc/16/00/49/585160049.db2.gz JETUJFOARMZIBQ-IIANPFDCSA-N 0 0 222.328 3.631 20 0 BHADRN C/C(=C/C(=O)O[C@@H]1C=CCCC1)C(C)(C)C ZINC000745599268 585160148 /nfs/dbraw/zinc/16/01/48/585160148.db2.gz JETUJFOARMZIBQ-NLYDNYMLSA-N 0 0 222.328 3.631 20 0 BHADRN C/C(=C/C(=O)O[C@H]1C=CCCC1)C(C)(C)C ZINC000745599269 585160159 /nfs/dbraw/zinc/16/01/59/585160159.db2.gz JETUJFOARMZIBQ-WEHUKYGOSA-N 0 0 222.328 3.631 20 0 BHADRN O=C(CCCC1CCCC1)OC/C=C/Cl ZINC000745603382 585160141 /nfs/dbraw/zinc/16/01/41/585160141.db2.gz SLLUZOJWEXDZTA-RUDMXATFSA-N 0 0 230.735 3.643 20 0 BHADRN O=C(CCCC1CCCC1)OC/C=C\Cl ZINC000745603384 585160134 /nfs/dbraw/zinc/16/01/34/585160134.db2.gz SLLUZOJWEXDZTA-WTKPLQERSA-N 0 0 230.735 3.643 20 0 BHADRN CSCCCOC(=O)CCCC1CCCC1 ZINC000745603547 585160119 /nfs/dbraw/zinc/16/01/19/585160119.db2.gz WUECDESELUQAQX-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CC[C@H](C)OC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000745669415 644579812 /nfs/dbraw/zinc/57/98/12/644579812.db2.gz RZTRITWZNDFIJU-BLLLJJGKSA-N 0 0 246.350 3.523 20 0 BHADRN CC[C@H](C)OC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000745669416 644579287 /nfs/dbraw/zinc/57/92/87/644579287.db2.gz RZTRITWZNDFIJU-LRDDRELGSA-N 0 0 246.350 3.523 20 0 BHADRN CC[C@@H](C)OC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000745669417 644580304 /nfs/dbraw/zinc/58/03/04/644580304.db2.gz RZTRITWZNDFIJU-MLGOLLRUSA-N 0 0 246.350 3.523 20 0 BHADRN CC[C@@H](C)OC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000745669418 644580105 /nfs/dbraw/zinc/58/01/05/644580105.db2.gz RZTRITWZNDFIJU-WBMJQRKESA-N 0 0 246.350 3.523 20 0 BHADRN CCC(C)(C)CC(=O)OCc1ccc(C)cc1 ZINC000745773805 585160810 /nfs/dbraw/zinc/16/08/10/585160810.db2.gz ANJGVGLWNDELCT-UHFFFAOYSA-N 0 0 234.339 3.865 20 0 BHADRN CCC(C)(C)CC(=O)OCc1ccccc1F ZINC000745773819 585160752 /nfs/dbraw/zinc/16/07/52/585160752.db2.gz AZIVWUOQHPCGEW-UHFFFAOYSA-N 0 0 238.302 3.695 20 0 BHADRN CCC(C)(C)CC(=O)OCCc1cccs1 ZINC000745773934 585160793 /nfs/dbraw/zinc/16/07/93/585160793.db2.gz CPOPELFMZKOLTN-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CCC(C)(C)CC(=O)OCc1cccc(F)c1 ZINC000745774151 585160744 /nfs/dbraw/zinc/16/07/44/585160744.db2.gz GWVIYGVLGNCLPB-UHFFFAOYSA-N 0 0 238.302 3.695 20 0 BHADRN CCC(C)(C)CC(=O)OCc1ccccc1C ZINC000745774532 585160620 /nfs/dbraw/zinc/16/06/20/585160620.db2.gz LJFNBFPGXKDYRZ-UHFFFAOYSA-N 0 0 234.339 3.865 20 0 BHADRN CCC(C)(C)CC(=O)OCc1cccc(C)c1 ZINC000745774741 585160675 /nfs/dbraw/zinc/16/06/75/585160675.db2.gz NHWKZOVCVPENEZ-UHFFFAOYSA-N 0 0 234.339 3.865 20 0 BHADRN CCC(C)(C)CC(=O)O[C@H](C)c1cccnc1 ZINC000745774806 585160771 /nfs/dbraw/zinc/16/07/71/585160771.db2.gz POLDLGROQHHOLB-LLVKDONJSA-N 0 0 235.327 3.512 20 0 BHADRN CCC(C)(C)CC(=O)O[C@@H](C)c1cccnc1 ZINC000745774807 585160770 /nfs/dbraw/zinc/16/07/70/585160770.db2.gz POLDLGROQHHOLB-NSHDSACASA-N 0 0 235.327 3.512 20 0 BHADRN CCCCCOC(=O)CC(C)(C)CC ZINC000745775140 585160619 /nfs/dbraw/zinc/16/06/19/585160619.db2.gz VFDRKWXISQCRPR-UHFFFAOYSA-N 0 0 200.322 3.546 20 0 BHADRN CCC(C)(C)CC(=O)OCC1CCCC1 ZINC000745776692 585160679 /nfs/dbraw/zinc/16/06/79/585160679.db2.gz UOUHUMIDIUARMC-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN CCC(C)(C)CC(=O)OCCc1ccccc1 ZINC000745777284 585160773 /nfs/dbraw/zinc/16/07/73/585160773.db2.gz DLEOROKNNBZBHO-UHFFFAOYSA-N 0 0 234.339 3.599 20 0 BHADRN CCC(C)(C)CC(=O)OCc1ccc(F)cc1 ZINC000745777425 584121421 /nfs/dbraw/zinc/12/14/21/584121421.db2.gz HCKBGTXUKRPCNI-UHFFFAOYSA-N 0 0 238.302 3.695 20 0 BHADRN CCC(C)(C)CC(=O)OCCC(C)(C)C ZINC000745777813 585160666 /nfs/dbraw/zinc/16/06/66/585160666.db2.gz MIOHBMBECFYQHH-UHFFFAOYSA-N 0 0 214.349 3.792 20 0 BHADRN CCC(C)(C)CC(=O)OCCc1ccsc1 ZINC000745778164 644581826 /nfs/dbraw/zinc/58/18/26/644581826.db2.gz XNDBXNVKHSENEY-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CCCCC(=O)Oc1ccc(OCC2CC2)cc1 ZINC000745815512 585160967 /nfs/dbraw/zinc/16/09/67/585160967.db2.gz KYKQAPYEZJDTBD-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN CCCN(C(=O)OC)[C@H](CC)c1ccccc1 ZINC000745924673 585161595 /nfs/dbraw/zinc/16/15/95/585161595.db2.gz RLVMLFAOLYFXGM-CYBMUJFWSA-N 0 0 235.327 3.616 20 0 BHADRN CCCN(C(=O)OC)[C@@H](CC)c1ccccc1 ZINC000745924674 585161741 /nfs/dbraw/zinc/16/17/41/585161741.db2.gz RLVMLFAOLYFXGM-ZDUSSCGKSA-N 0 0 235.327 3.616 20 0 BHADRN CCCCN(C(=O)OC)[C@H](C)c1ccccc1 ZINC000745936814 585161682 /nfs/dbraw/zinc/16/16/82/585161682.db2.gz MSMIYCKFUZDXGR-GFCCVEGCSA-N 0 0 235.327 3.616 20 0 BHADRN CCCCN(C(=O)OC)[C@@H](C)c1ccccc1 ZINC000745936815 585161699 /nfs/dbraw/zinc/16/16/99/585161699.db2.gz MSMIYCKFUZDXGR-LBPRGKRZSA-N 0 0 235.327 3.616 20 0 BHADRN CCC(C)(C)CC(=O)Oc1cccc(C)c1 ZINC000745947882 585161706 /nfs/dbraw/zinc/16/17/06/585161706.db2.gz AWKIJVUWGGCRGG-UHFFFAOYSA-N 0 0 220.312 3.727 20 0 BHADRN CCc1ccc(OC(=O)CC(C)(C)CC)cc1 ZINC000745947899 585161610 /nfs/dbraw/zinc/16/16/10/585161610.db2.gz BNAHNRTURDVZSD-UHFFFAOYSA-N 0 0 234.339 3.981 20 0 BHADRN CCC(C)(C)CC(=O)Oc1ccccc1C ZINC000745947928 585161723 /nfs/dbraw/zinc/16/17/23/585161723.db2.gz DSBXOAHZKILXPO-UHFFFAOYSA-N 0 0 220.312 3.727 20 0 BHADRN CCc1cccc(OC(=O)CC(C)(C)CC)c1 ZINC000745948575 585161700 /nfs/dbraw/zinc/16/17/00/585161700.db2.gz PYBGYUQFMHQNDX-UHFFFAOYSA-N 0 0 234.339 3.981 20 0 BHADRN CCc1ccccc1OC(=O)CC(C)(C)CC ZINC000745948600 585161683 /nfs/dbraw/zinc/16/16/83/585161683.db2.gz RRVFFAAMJFDKMO-UHFFFAOYSA-N 0 0 234.339 3.981 20 0 BHADRN CCC(C)(C)CC(=O)Oc1ccc2c(c1)CCC2 ZINC000745948726 585161686 /nfs/dbraw/zinc/16/16/86/585161686.db2.gz SPNPTAZBEUTHSE-UHFFFAOYSA-N 0 0 246.350 3.907 20 0 BHADRN CCCCCOC(=O)c1cccc2cnccc21 ZINC000745949302 585161940 /nfs/dbraw/zinc/16/19/40/585161940.db2.gz DOYOXDOJFFWDLE-UHFFFAOYSA-N 0 0 243.306 3.582 20 0 BHADRN CC/C=C/CCOC(=O)CC(C)(C)CC ZINC000745949443 585161792 /nfs/dbraw/zinc/16/17/92/585161792.db2.gz LBMDBUDRYDXMJC-BQYQJAHWSA-N 0 0 212.333 3.712 20 0 BHADRN CC/C=C\CCOC(=O)CC(C)(C)CC ZINC000745949444 585161848 /nfs/dbraw/zinc/16/18/48/585161848.db2.gz LBMDBUDRYDXMJC-FPLPWBNLSA-N 0 0 212.333 3.712 20 0 BHADRN CCC(C)(C)CC(=O)OCc1cccs1 ZINC000745949668 585161915 /nfs/dbraw/zinc/16/19/15/585161915.db2.gz RQORXYURURBFBG-UHFFFAOYSA-N 0 0 226.341 3.618 20 0 BHADRN CCC(C)(C)CC(=O)O[C@H](C)CC(C)C ZINC000745949807 585161988 /nfs/dbraw/zinc/16/19/88/585161988.db2.gz XQTPLNZVIMZJOQ-LLVKDONJSA-N 0 0 214.349 3.791 20 0 BHADRN CCC(C)(C)CC(=O)O[C@@H](C)CC(C)C ZINC000745949813 585161888 /nfs/dbraw/zinc/16/18/88/585161888.db2.gz XQTPLNZVIMZJOQ-NSHDSACASA-N 0 0 214.349 3.791 20 0 BHADRN CCC(C)(C)CC(=O)O[C@H](C)Cc1ccccc1 ZINC000745950302 585161981 /nfs/dbraw/zinc/16/19/81/585161981.db2.gz MJRYFVZPUJZOTP-CYBMUJFWSA-N 0 0 248.366 3.987 20 0 BHADRN CCC(C)(C)CC(=O)O[C@@H](C)Cc1ccccc1 ZINC000745950303 585161822 /nfs/dbraw/zinc/16/18/22/585161822.db2.gz MJRYFVZPUJZOTP-ZDUSSCGKSA-N 0 0 248.366 3.987 20 0 BHADRN CCC(C)(C)CC(=O)Oc1cc(F)cc(F)c1 ZINC000745950465 585161972 /nfs/dbraw/zinc/16/19/72/585161972.db2.gz SXLQEORRPKGSQH-UHFFFAOYSA-N 0 0 242.265 3.697 20 0 BHADRN CCCCN(C(=O)OC)[C@H](C)c1ccc(C)o1 ZINC000745951415 585161989 /nfs/dbraw/zinc/16/19/89/585161989.db2.gz DOQCQVSQGNZIQS-LLVKDONJSA-N 0 0 239.315 3.518 20 0 BHADRN CCCCN(C(=O)OC)[C@@H](C)c1ccc(C)o1 ZINC000745951427 585161799 /nfs/dbraw/zinc/16/17/99/585161799.db2.gz DOQCQVSQGNZIQS-NSHDSACASA-N 0 0 239.315 3.518 20 0 BHADRN CCC(C)(C)CC(=O)OCCSC(C)(C)C ZINC000745951837 585161961 /nfs/dbraw/zinc/16/19/61/585161961.db2.gz KLUOYWJQABPBKF-UHFFFAOYSA-N 0 0 246.416 3.888 20 0 BHADRN CCC(C)(C)CC(=O)OC[C@@H]1CC=CCC1 ZINC000745953221 585161836 /nfs/dbraw/zinc/16/18/36/585161836.db2.gz PVUWKRJPAADHOE-GFCCVEGCSA-N 0 0 224.344 3.712 20 0 BHADRN CCC(C)(C)CC(=O)OC[C@H]1CC=CCC1 ZINC000745953222 585161809 /nfs/dbraw/zinc/16/18/09/585161809.db2.gz PVUWKRJPAADHOE-LBPRGKRZSA-N 0 0 224.344 3.712 20 0 BHADRN CCC(C)(C)CC(=O)Oc1cccc2[nH]ccc21 ZINC000745954328 585161963 /nfs/dbraw/zinc/16/19/63/585161963.db2.gz SNAZPWBADVUOKP-UHFFFAOYSA-N 0 0 245.322 3.900 20 0 BHADRN CCC(C)(C)CC(=O)OCc1ccsc1 ZINC000745954640 585161803 /nfs/dbraw/zinc/16/18/03/585161803.db2.gz ZBSCJZZOSQYNGC-UHFFFAOYSA-N 0 0 226.341 3.618 20 0 BHADRN CCC(C)(C)COC(=O)CC(C)(C)CC ZINC000745955349 585161796 /nfs/dbraw/zinc/16/17/96/585161796.db2.gz IIDQACIZXFTHPU-UHFFFAOYSA-N 0 0 214.349 3.792 20 0 BHADRN CCCC[C@@H](CC)C(=O)OC[C@@H]1CCCS1 ZINC000745958026 585161904 /nfs/dbraw/zinc/16/19/04/585161904.db2.gz IEPWBHQMMAGDHO-NEPJUHHUSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC[C@H](CC)C(=O)OC[C@H]1CCCS1 ZINC000745958029 585161960 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3.718 20 0 BHADRN CC(C)CCN(c1nccs1)C1CCCC1 ZINC000746089959 585162893 /nfs/dbraw/zinc/16/28/93/585162893.db2.gz IMEYNKVMVUESQE-UHFFFAOYSA-N 0 0 238.400 3.938 20 0 BHADRN CC(C)CN(Cc1ccccc1)c1nccs1 ZINC000746090310 585162778 /nfs/dbraw/zinc/16/27/78/585162778.db2.gz WJSXOFXREKGRDE-UHFFFAOYSA-N 0 0 246.379 3.806 20 0 BHADRN CCN(CCOC(C)C)c1ccc(Cl)cc1 ZINC000746101955 585163212 /nfs/dbraw/zinc/16/32/12/585163212.db2.gz UZSXLMYXICVAMV-UHFFFAOYSA-N 0 0 241.762 3.591 20 0 BHADRN CCN(Cc1cnc(C)s1)c1ccc(C)cc1 ZINC000746103490 585163210 /nfs/dbraw/zinc/16/32/10/585163210.db2.gz KQNWRCAKQFWISA-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CCN(CCOC(C)(C)C)c1ccc(C)cc1 ZINC000746103948 585163261 /nfs/dbraw/zinc/16/32/61/585163261.db2.gz LGLSVFMRZDVTIC-UHFFFAOYSA-N 0 0 235.371 3.636 20 0 BHADRN CCN(Cc1nc(C)c(C)o1)c1ccc(C)cc1 ZINC000746104154 585163109 /nfs/dbraw/zinc/16/31/09/585163109.db2.gz PGALPZAADDCEFH-UHFFFAOYSA-N 0 0 244.338 3.626 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000746104821 585163157 /nfs/dbraw/zinc/16/31/57/585163157.db2.gz ZNFXHUNWVYERIR-NHAGDIPZSA-N 0 0 244.334 3.645 20 0 BHADRN CCC[N@H+](CC)Cc1cc(Cl)nc(Cl)c1 ZINC000746107488 585163036 /nfs/dbraw/zinc/16/30/36/585163036.db2.gz IRWSYVOMHFNKHV-UHFFFAOYSA-N 0 0 247.169 3.620 20 0 BHADRN CCN(Cc1c(C)noc1C)c1ccc(C)cc1 ZINC000746107971 585163241 /nfs/dbraw/zinc/16/32/41/585163241.db2.gz UCZLQTCHSHNKNU-UHFFFAOYSA-N 0 0 244.338 3.626 20 0 BHADRN CCc1ccc(N(CC)Cc2cc(C)no2)cc1 ZINC000746168282 585164531 /nfs/dbraw/zinc/16/45/31/585164531.db2.gz IIDNTQUQRAKZFV-UHFFFAOYSA-N 0 0 244.338 3.572 20 0 BHADRN CCc1ccc(N(CC)Cc2cc(C)on2)cc1 ZINC000746168287 585164334 /nfs/dbraw/zinc/16/43/34/585164334.db2.gz IPINALBMQGMUOA-UHFFFAOYSA-N 0 0 244.338 3.572 20 0 BHADRN CCCN(CC(C)C)c1cccc(OC)c1 ZINC000746169869 585164310 /nfs/dbraw/zinc/16/43/10/585164310.db2.gz BSSJIIWCRGRUCB-UHFFFAOYSA-N 0 0 221.344 3.568 20 0 BHADRN Cc1ccc(N(C)C(=O)C2C(C)(C)C2(C)C)cc1 ZINC000746198621 585164987 /nfs/dbraw/zinc/16/49/87/585164987.db2.gz XMMBJUMILQINDR-UHFFFAOYSA-N 0 0 245.366 3.640 20 0 BHADRN Cc1ccc(CC(=O)OCC2CCCCC2)cc1 ZINC000746240536 585166098 /nfs/dbraw/zinc/16/60/98/585166098.db2.gz JLJMVLRKMGZMSK-UHFFFAOYSA-N 0 0 246.350 3.661 20 0 BHADRN C/C=C\C(=O)Nc1ccccc1CCC(C)C ZINC000746386585 644584031 /nfs/dbraw/zinc/58/40/31/644584031.db2.gz OQPKTVBUAIFPKG-DAXSKMNVSA-N 0 0 231.339 3.790 20 0 BHADRN C/C=C/C(=O)Nc1ccccc1CCC(C)C ZINC000746386586 644583727 /nfs/dbraw/zinc/58/37/27/644583727.db2.gz OQPKTVBUAIFPKG-QPJJXVBHSA-N 0 0 231.339 3.790 20 0 BHADRN CCCCCCC(=O)N1CCc2c1cccc2C ZINC000746388228 644583419 /nfs/dbraw/zinc/58/34/19/644583419.db2.gz WXSKGMFSRAKSSC-UHFFFAOYSA-N 0 0 245.366 3.855 20 0 BHADRN Oc1ccc(SC[C@H]2CC2(Cl)Cl)cc1 ZINC000746398769 585167877 /nfs/dbraw/zinc/16/78/77/585167877.db2.gz HLCBHDBZTYQVQO-SSDOTTSWSA-N 0 0 249.162 3.678 20 0 BHADRN Oc1ccc(SC[C@@H]2CC2(Cl)Cl)cc1 ZINC000746398770 585167851 /nfs/dbraw/zinc/16/78/51/585167851.db2.gz HLCBHDBZTYQVQO-ZETCQYMHSA-N 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585168905 /nfs/dbraw/zinc/16/89/05/585168905.db2.gz NAEYXDYLNKJKDN-GHXNOFRVSA-N 0 0 244.165 3.746 20 0 BHADRN Cc1ccccc1CN(C)C/C(Cl)=C\Cl ZINC000746494040 585168893 /nfs/dbraw/zinc/16/88/93/585168893.db2.gz NAEYXDYLNKJKDN-KPKJPENVSA-N 0 0 244.165 3.746 20 0 BHADRN CC(C)CCN(C/C(Cl)=C\Cl)C1CC1 ZINC000746499177 585168778 /nfs/dbraw/zinc/16/87/78/585168778.db2.gz GWFFWSNTFMAWHD-JXMROGBWSA-N 0 0 236.186 3.816 20 0 BHADRN CC(C)CCN(C/C(Cl)=C/Cl)C1CC1 ZINC000746499183 585168840 /nfs/dbraw/zinc/16/88/40/585168840.db2.gz GWFFWSNTFMAWHD-YFHOEESVSA-N 0 0 236.186 3.816 20 0 BHADRN FCCN1Cc2ccccc2-c2ccccc2C1 ZINC000746500527 585169291 /nfs/dbraw/zinc/16/92/91/585169291.db2.gz DFCHWKMIKYIFOR-UHFFFAOYSA-N 0 0 241.309 3.639 20 0 BHADRN CN(C/C(Cl)=C/Cl)Cc1ccccc1F ZINC000746502270 585169089 /nfs/dbraw/zinc/16/90/89/585169089.db2.gz HTQWTOBBYQWDMZ-POHAHGRESA-N 0 0 248.128 3.577 20 0 BHADRN CN(C/C(Cl)=C\Cl)Cc1ccccc1F ZINC000746502271 585169106 /nfs/dbraw/zinc/16/91/06/585169106.db2.gz 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BHADRN CN(C/C(Cl)=C\Cl)c1ccc(F)cc1 ZINC000746503522 585169503 /nfs/dbraw/zinc/16/95/03/585169503.db2.gz TUCPNXOIWVVONX-SOFGYWHQSA-N 0 0 234.101 3.581 20 0 BHADRN CN(C/C(Cl)=C/Cl)c1ccc(F)cc1 ZINC000746503525 585169433 /nfs/dbraw/zinc/16/94/33/585169433.db2.gz TUCPNXOIWVVONX-VURMDHGXSA-N 0 0 234.101 3.581 20 0 BHADRN CCN(C/C(Cl)=C\Cl)c1ccccc1 ZINC000746504014 585169427 /nfs/dbraw/zinc/16/94/27/585169427.db2.gz VQJIEKZKUXFUDN-CSKARUKUSA-N 0 0 230.138 3.832 20 0 BHADRN CCN(C/C(Cl)=C/Cl)c1ccccc1 ZINC000746504015 585169297 /nfs/dbraw/zinc/16/92/97/585169297.db2.gz VQJIEKZKUXFUDN-NTMALXAHSA-N 0 0 230.138 3.832 20 0 BHADRN CN(CC1CCCC1)C(=O)C=C1CCCCC1 ZINC000746527104 585169611 /nfs/dbraw/zinc/16/96/11/585169611.db2.gz ZJCUHCPZKBEFHD-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCC/C(C)=C\C(=O)N1Cc2ccccc2[C@H]1C ZINC000746528545 585169637 /nfs/dbraw/zinc/16/96/37/585169637.db2.gz CGUAFAONIJWYJE-KXXVWKPMSA-N 0 0 243.350 3.836 20 0 BHADRN CCC/C(C)=C/C(=O)N1Cc2ccccc2[C@H]1C ZINC000746528546 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237.387 3.962 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C1=C(C)CCC1 ZINC000746791556 585172630 /nfs/dbraw/zinc/17/26/30/585172630.db2.gz NKAFQWGWIRVMGB-ZDUSSCGKSA-N 0 0 237.387 3.962 20 0 BHADRN CC/C=C(\C)C(=O)N1CCc2ccc(Cl)cc21 ZINC000746794450 585172785 /nfs/dbraw/zinc/17/27/85/585172785.db2.gz OFQJSWPPAYGPGX-ONNFQVAWSA-N 0 0 249.741 3.585 20 0 BHADRN CC1=C(C(=O)O[C@H](C)c2ccccc2)CCC1 ZINC000746794496 585172687 /nfs/dbraw/zinc/17/26/87/585172687.db2.gz AXIOHOOLTQKPSN-GFCCVEGCSA-N 0 0 230.307 3.791 20 0 BHADRN CC1=C(C(=O)O[C@@H](C)c2ccccc2)CCC1 ZINC000746794497 585172694 /nfs/dbraw/zinc/17/26/94/585172694.db2.gz AXIOHOOLTQKPSN-LBPRGKRZSA-N 0 0 230.307 3.791 20 0 BHADRN CC1=C(C(=O)Oc2ccc(C)cc2C)CCC1 ZINC000746796200 585172679 /nfs/dbraw/zinc/17/26/79/585172679.db2.gz QAELFOXCCWBADW-UHFFFAOYSA-N 0 0 230.307 3.709 20 0 BHADRN CCCCCCC(=O)N1CCc2ccc(F)cc21 ZINC000746805788 585172792 /nfs/dbraw/zinc/17/27/92/585172792.db2.gz GVVMVZRAQJWZHH-UHFFFAOYSA-N 0 0 249.329 3.685 20 0 BHADRN CC1=C(C(=O)N(C)c2ccc(C)cc2C)CCC1 ZINC000746817323 585172742 /nfs/dbraw/zinc/17/27/42/585172742.db2.gz XGWATANIAXQDOT-UHFFFAOYSA-N 0 0 243.350 3.767 20 0 BHADRN C/C=C/C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000746817996 585172672 /nfs/dbraw/zinc/17/26/72/585172672.db2.gz WCDZRNSMQLGLCX-GQCTYLIASA-N 0 0 249.741 3.540 20 0 BHADRN C/C=C\C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000746817997 585172642 /nfs/dbraw/zinc/17/26/42/585172642.db2.gz WCDZRNSMQLGLCX-XQRVVYSFSA-N 0 0 249.741 3.540 20 0 BHADRN CCCCCCC(=O)N1CCc2ccc(C)cc21 ZINC000746818192 585172755 /nfs/dbraw/zinc/17/27/55/585172755.db2.gz CPZXOHDKBRVMNX-UHFFFAOYSA-N 0 0 245.366 3.855 20 0 BHADRN Cc1ccc([C@@H](C)NC(=O)C2=C(C)CCC2)s1 ZINC000746823183 585172695 /nfs/dbraw/zinc/17/26/95/585172695.db2.gz WYYIWWOZUMWONZ-LLVKDONJSA-N 0 0 249.379 3.734 20 0 BHADRN Cc1ccc([C@H](C)NC(=O)C2=C(C)CCC2)s1 ZINC000746823186 585172794 /nfs/dbraw/zinc/17/27/94/585172794.db2.gz WYYIWWOZUMWONZ-NSHDSACASA-N 0 0 249.379 3.734 20 0 BHADRN CCC/C=C\C(=O)N[C@H](C)[C@H](C)c1ccccc1 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240.391 3.541 20 0 BHADRN Cc1cc(C)nc(NC(=O)C=C2CCCCC2)c1 ZINC000746952904 585173522 /nfs/dbraw/zinc/17/35/22/585173522.db2.gz GGRYSWXPZCICSQ-UHFFFAOYSA-N 0 0 244.338 3.527 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1cc(C)cc(C)n1)CC ZINC000746959861 585173912 /nfs/dbraw/zinc/17/39/12/585173912.db2.gz NCMFRQJEDXFMOA-BGJIPISASA-N 0 0 244.338 3.549 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1cc(C)cc(C)n1)CC ZINC000746959862 585173733 /nfs/dbraw/zinc/17/37/33/585173733.db2.gz NCMFRQJEDXFMOA-XYGSGGKESA-N 0 0 244.338 3.549 20 0 BHADRN C/C(=C\C(=O)Nc1cc(C)cc(C)n1)C(C)(C)C ZINC000746960308 585173860 /nfs/dbraw/zinc/17/38/60/585173860.db2.gz VEJRLBALYDAXDR-PKNBQFBNSA-N 0 0 246.354 3.629 20 0 BHADRN CCC(=O)c1ccc(Oc2nccs2)cc1 ZINC000746962566 585173742 /nfs/dbraw/zinc/17/37/42/585173742.db2.gz PJDROBVEFHBZLJ-UHFFFAOYSA-N 0 0 233.292 3.528 20 0 BHADRN Fc1ccc(Oc2nccs2)cc1Cl ZINC000746988131 585173996 /nfs/dbraw/zinc/17/39/96/585173996.db2.gz CNJYYXNLINGUKF-UHFFFAOYSA-N 0 0 229.663 3.728 20 0 BHADRN Cc1ccc(CCCNc2nccs2)c(C)c1 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FKYYTVNJYWKQMP-UHFFFAOYSA-N 0 0 238.327 3.500 20 0 BHADRN CC(C)CCCCCC(=O)N(C)CCC1CC1 ZINC000747037290 585174389 /nfs/dbraw/zinc/17/43/89/585174389.db2.gz GCMXFYUNEODPGF-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C)CCC1CC1 ZINC000747037404 585174406 /nfs/dbraw/zinc/17/44/06/585174406.db2.gz ITIFSUVATSLDQR-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C)CCC1CC1 ZINC000747037406 585174533 /nfs/dbraw/zinc/17/45/33/585174533.db2.gz ITIFSUVATSLDQR-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)OCc1ccc(NCc2ccoc2)cc1 ZINC000747099053 585174798 /nfs/dbraw/zinc/17/47/98/585174798.db2.gz IRRSSOCUTDWNSR-UHFFFAOYSA-N 0 0 245.322 3.817 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)OCc2ccoc2)C1 ZINC000747106719 585175229 /nfs/dbraw/zinc/17/52/29/585175229.db2.gz BTXQRQZRDFVZKJ-NEPJUHHUSA-N 0 0 236.311 3.539 20 0 BHADRN C[C@H]1CCC[C@@H](CC(=O)OCc2ccoc2)C1 ZINC000747106720 585175142 /nfs/dbraw/zinc/17/51/42/585175142.db2.gz BTXQRQZRDFVZKJ-NWDGAFQWSA-N 0 0 236.311 3.539 20 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ZINC000747149053 585175529 /nfs/dbraw/zinc/17/55/29/585175529.db2.gz FNCPQDAEJLGFHW-LLVKDONJSA-N 0 0 248.297 3.930 20 0 BHADRN CC1=C(C(=O)O[C@@H](C)c2ccccc2F)CCC1 ZINC000747149071 585175505 /nfs/dbraw/zinc/17/55/05/585175505.db2.gz FNCPQDAEJLGFHW-NSHDSACASA-N 0 0 248.297 3.930 20 0 BHADRN CC1=C(C(=O)O[C@H](C)c2cccc(F)c2)CCC1 ZINC000747149981 585175639 /nfs/dbraw/zinc/17/56/39/585175639.db2.gz MUSMEHMYYCUAIM-LLVKDONJSA-N 0 0 248.297 3.930 20 0 BHADRN CC1=C(C(=O)O[C@@H](C)c2cccc(F)c2)CCC1 ZINC000747149982 585175649 /nfs/dbraw/zinc/17/56/49/585175649.db2.gz MUSMEHMYYCUAIM-NSHDSACASA-N 0 0 248.297 3.930 20 0 BHADRN CC1=C(C(=O)OCc2ccccc2C)CCC1 ZINC000747150708 585175464 /nfs/dbraw/zinc/17/54/64/585175464.db2.gz XJEQALGWKGEDEB-UHFFFAOYSA-N 0 0 230.307 3.539 20 0 BHADRN CCCC(=O)O[C@H](C)c1c(F)cccc1Cl ZINC000747152253 585175743 /nfs/dbraw/zinc/17/57/43/585175743.db2.gz FAYSBHWQQADTSH-MRVPVSSYSA-N 0 0 244.693 3.883 20 0 BHADRN CCCC(=O)O[C@@H](C)c1c(F)cccc1Cl ZINC000747152259 585175795 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/nfs/dbraw/zinc/17/74/98/585177498.db2.gz JNMRIPPMCSHWGZ-UHFFFAOYSA-N 0 0 232.279 3.554 20 0 BHADRN CCCCOC(=O)c1cc2cccc(C)c2o1 ZINC000747264181 585177405 /nfs/dbraw/zinc/17/74/05/585177405.db2.gz JYJWUTQFLQYXBW-UHFFFAOYSA-N 0 0 232.279 3.698 20 0 BHADRN C/C=C\COC(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000747280385 585177680 /nfs/dbraw/zinc/17/76/80/585177680.db2.gz HTKIULPBPQKIKQ-IHWYPQMZSA-N 0 0 249.697 3.554 20 0 BHADRN O=C(NC1CCCCCCC1)[C@@H]1CC12CCCC2 ZINC000747293565 585177577 /nfs/dbraw/zinc/17/75/77/585177577.db2.gz HSZRTKXZEUKUTD-AWEZNQCLSA-N 0 0 249.398 3.796 20 0 BHADRN O=C(NC1CCCCCCC1)[C@H]1CC12CCCC2 ZINC000747293566 585177569 /nfs/dbraw/zinc/17/75/69/585177569.db2.gz HSZRTKXZEUKUTD-CQSZACIVSA-N 0 0 249.398 3.796 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H]1CC12CCCC2 ZINC000747293600 585177526 /nfs/dbraw/zinc/17/75/26/585177526.db2.gz JXSSWKPBWLBUGT-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H]1CC12CCCC2 ZINC000747293601 585177542 /nfs/dbraw/zinc/17/75/42/585177542.db2.gz JXSSWKPBWLBUGT-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H]1CC12CCCC2 ZINC000747293602 585177672 /nfs/dbraw/zinc/17/76/72/585177672.db2.gz JXSSWKPBWLBUGT-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1CC12CCCC2 ZINC000747293603 585177712 /nfs/dbraw/zinc/17/77/12/585177712.db2.gz JXSSWKPBWLBUGT-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2CC23CCCC3)c1C ZINC000747294135 585177534 /nfs/dbraw/zinc/17/75/34/585177534.db2.gz BHAQLXRYZRJGHI-CYBMUJFWSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2CC23CCCC3)c1C ZINC000747294139 585177681 /nfs/dbraw/zinc/17/76/81/585177681.db2.gz BHAQLXRYZRJGHI-ZDUSSCGKSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1ccc(OC(=O)[C@@H]2CC23CCCC3)cc1C ZINC000747294501 585177567 /nfs/dbraw/zinc/17/75/67/585177567.db2.gz RFDHLXJHRDGVCF-AWEZNQCLSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2CC23CCCC3)cc1C ZINC000747294503 585177603 /nfs/dbraw/zinc/17/76/03/585177603.db2.gz RFDHLXJHRDGVCF-CQSZACIVSA-N 0 0 244.334 3.789 20 0 BHADRN C[C@H](OC(=O)[C@H]1CC12CCCC2)c1ccccc1 ZINC000747296821 585177595 /nfs/dbraw/zinc/17/75/95/585177595.db2.gz DGYJUEIAUXVVIZ-GXTWGEPZSA-N 0 0 244.334 3.871 20 0 BHADRN C[C@H](OC(=O)[C@@H]1CC12CCCC2)c1ccccc1 ZINC000747296823 585177666 /nfs/dbraw/zinc/17/76/66/585177666.db2.gz DGYJUEIAUXVVIZ-JSGCOSHPSA-N 0 0 244.334 3.871 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CC12CCCC2)c1ccccc1 ZINC000747296825 585177566 /nfs/dbraw/zinc/17/75/66/585177566.db2.gz DGYJUEIAUXVVIZ-OCCSQVGLSA-N 0 0 244.334 3.871 20 0 BHADRN C[C@@H](OC(=O)[C@H]1CC12CCCC2)c1ccccc1 ZINC000747296828 585177708 /nfs/dbraw/zinc/17/77/08/585177708.db2.gz DGYJUEIAUXVVIZ-TZMCWYRMSA-N 0 0 244.334 3.871 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2CC23CCCC3)cc1 ZINC000747304747 585177693 /nfs/dbraw/zinc/17/76/93/585177693.db2.gz XIZYULDGIPXBMO-AWEZNQCLSA-N 0 0 243.350 3.538 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2CC23CCCC3)cc1 ZINC000747304748 585177690 /nfs/dbraw/zinc/17/76/90/585177690.db2.gz XIZYULDGIPXBMO-CQSZACIVSA-N 0 0 243.350 3.538 20 0 BHADRN CC[C@@H](C)C(=O)N1CCCc2cc(C)cc(C)c21 ZINC000747309698 585177919 /nfs/dbraw/zinc/17/79/19/585177919.db2.gz WDXMKXPCVWBASU-GFCCVEGCSA-N 0 0 245.366 3.629 20 0 BHADRN CC[C@H](C)C(=O)N1CCCc2cc(C)cc(C)c21 ZINC000747309699 585177816 /nfs/dbraw/zinc/17/78/16/585177816.db2.gz WDXMKXPCVWBASU-LBPRGKRZSA-N 0 0 245.366 3.629 20 0 BHADRN CCCCC(=O)N1CCCc2cc(C)cc(C)c21 ZINC000747309753 585177871 /nfs/dbraw/zinc/17/78/71/585177871.db2.gz ZIZXDCSMVUWZEM-UHFFFAOYSA-N 0 0 245.366 3.773 20 0 BHADRN C/C=C\C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000747346718 585178155 /nfs/dbraw/zinc/17/81/55/585178155.db2.gz STWYAMFPZRURIW-ARJAWSKDSA-N 0 0 241.743 3.577 20 0 BHADRN C/C=C/C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000747346719 585178170 /nfs/dbraw/zinc/17/81/70/585178170.db2.gz STWYAMFPZRURIW-ONEGZZNKSA-N 0 0 241.743 3.577 20 0 BHADRN CCCC(=O)O[C@H](C)c1cnc2ccccc2c1 ZINC000747350662 585178271 /nfs/dbraw/zinc/17/82/71/585178271.db2.gz HDIQDWMKHAFPDN-LLVKDONJSA-N 0 0 243.306 3.639 20 0 BHADRN CC[C@@H](Sc1nncn1CC)c1ccccc1 ZINC000747366546 585178215 /nfs/dbraw/zinc/17/82/15/585178215.db2.gz ZLEYTHBEUWQYKN-GFCCVEGCSA-N 0 0 247.367 3.541 20 0 BHADRN CC[C@H](Sc1nncn1CC)c1ccccc1 ZINC000747366547 585178321 /nfs/dbraw/zinc/17/83/21/585178321.db2.gz ZLEYTHBEUWQYKN-LBPRGKRZSA-N 0 0 247.367 3.541 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC1(C)C ZINC000747399022 585178512 /nfs/dbraw/zinc/17/85/12/585178512.db2.gz DLPKDPLSCQCIQZ-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC1(C)C ZINC000747399023 585178412 /nfs/dbraw/zinc/17/84/12/585178412.db2.gz DLPKDPLSCQCIQZ-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1CCC1(C)C ZINC000747399713 585178491 /nfs/dbraw/zinc/17/84/91/585178491.db2.gz IVBAYPBFJLSZPQ-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1CCC1(C)C ZINC000747399762 585178390 /nfs/dbraw/zinc/17/83/90/585178390.db2.gz IVBAYPBFJLSZPQ-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CCC1(C)C ZINC000747400222 583358083 /nfs/dbraw/zinc/35/80/83/583358083.db2.gz NLXDFUNKUDJCHJ-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CCC1(C)C ZINC000747400223 583358107 /nfs/dbraw/zinc/35/81/07/583358107.db2.gz NLXDFUNKUDJCHJ-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CC(C)Cc1ccc(C(=O)N2CCC2(C)C)cc1 ZINC000747400242 585178457 /nfs/dbraw/zinc/17/84/57/585178457.db2.gz ORCLQEKBBIJWGW-UHFFFAOYSA-N 0 0 245.366 3.510 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)N1CCC1(C)C ZINC000747400491 585178561 /nfs/dbraw/zinc/17/85/61/585178561.db2.gz SYISIIGXEPZZRF-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1CCC1(C)C ZINC000747400492 585178586 /nfs/dbraw/zinc/17/85/86/585178586.db2.gz SYISIIGXEPZZRF-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCc1ccc(C(=O)N2CCC2(C)C)cc1 ZINC000747401989 585178700 /nfs/dbraw/zinc/17/87/00/585178700.db2.gz GYGMFESQXVIWAD-UHFFFAOYSA-N 0 0 245.366 3.654 20 0 BHADRN CC(C(=O)Nc1cc(C)cc(C)n1)=C1CCCC1 ZINC000747449778 585179197 /nfs/dbraw/zinc/17/91/97/585179197.db2.gz VNYCUJCCZHSNDQ-UHFFFAOYSA-N 0 0 244.338 3.527 20 0 BHADRN Cc1ccc(COC(=O)[C@@H]2CC23CCCC3)cc1 ZINC000747476933 585179308 /nfs/dbraw/zinc/17/93/08/585179308.db2.gz BSENROOUXLIXRY-AWEZNQCLSA-N 0 0 244.334 3.619 20 0 BHADRN Cc1ccc(COC(=O)[C@H]2CC23CCCC3)cc1 ZINC000747476934 585179450 /nfs/dbraw/zinc/17/94/50/585179450.db2.gz BSENROOUXLIXRY-CQSZACIVSA-N 0 0 244.334 3.619 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)[C@@H]1CC12CCCC2 ZINC000747480349 585179611 /nfs/dbraw/zinc/17/96/11/585179611.db2.gz WKLCFOMZYDNUQE-NEPJUHHUSA-N 0 0 224.344 3.545 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@H]1CC12CCCC2 ZINC000747480350 585179560 /nfs/dbraw/zinc/17/95/60/585179560.db2.gz WKLCFOMZYDNUQE-NWDGAFQWSA-N 0 0 224.344 3.545 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@@H]1CC12CCCC2 ZINC000747480351 585179316 /nfs/dbraw/zinc/17/93/16/585179316.db2.gz WKLCFOMZYDNUQE-RYUDHWBXSA-N 0 0 224.344 3.545 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)[C@H]1CC12CCCC2 ZINC000747480352 585179301 /nfs/dbraw/zinc/17/93/01/585179301.db2.gz WKLCFOMZYDNUQE-VXGBXAGGSA-N 0 0 224.344 3.545 20 0 BHADRN CCC[C@@H](OC(=O)c1ccco1)c1ccccc1 ZINC000747566686 585180600 /nfs/dbraw/zinc/18/06/00/585180600.db2.gz HSLOZHSUDPNBCZ-CYBMUJFWSA-N 0 0 244.290 3.978 20 0 BHADRN CCC[C@H](OC(=O)CC1CC1)c1ccccc1 ZINC000747567374 585180591 /nfs/dbraw/zinc/18/05/91/585180591.db2.gz DMEKINKMUPBCEQ-AWEZNQCLSA-N 0 0 232.323 3.871 20 0 BHADRN CCC[C@@H](OC(=O)CC1CC1)c1ccccc1 ZINC000747567375 585180569 /nfs/dbraw/zinc/18/05/69/585180569.db2.gz DMEKINKMUPBCEQ-CQSZACIVSA-N 0 0 232.323 3.871 20 0 BHADRN CCC[C@H](OC(=O)c1ccoc1)c1ccccc1 ZINC000747568000 585180636 /nfs/dbraw/zinc/18/06/36/585180636.db2.gz REPYYCSKYFNKAM-AWEZNQCLSA-N 0 0 244.290 3.978 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)N1CCC1(C)C ZINC000747575949 585180858 /nfs/dbraw/zinc/18/08/58/585180858.db2.gz VGPPWQOFLQRGHJ-GFCCVEGCSA-N 0 0 240.391 3.539 20 0 BHADRN CCCCCC[C@H](C)NC(=O)N1CCC1(C)C ZINC000747575950 585180956 /nfs/dbraw/zinc/18/09/56/585180956.db2.gz VGPPWQOFLQRGHJ-LBPRGKRZSA-N 0 0 240.391 3.539 20 0 BHADRN CC(C)c1ccc(N(C)Cc2ccncc2)cc1 ZINC000747658119 585181913 /nfs/dbraw/zinc/18/19/13/585181913.db2.gz NVVOULNPDYRQAO-UHFFFAOYSA-N 0 0 240.350 3.841 20 0 BHADRN C/C=C\C(=O)N(CC)c1ccc2ccccc2c1 ZINC000747664220 585181934 /nfs/dbraw/zinc/18/19/34/585181934.db2.gz WCEAVUIWFVAYCH-CLTKARDFSA-N 0 0 239.318 3.769 20 0 BHADRN C/C=C/C(=O)N(CC)c1ccc2ccccc2c1 ZINC000747664221 585181948 /nfs/dbraw/zinc/18/19/48/585181948.db2.gz WCEAVUIWFVAYCH-XVNBXDOJSA-N 0 0 239.318 3.769 20 0 BHADRN CCN(Cc1cscn1)c1cc(C)cc(C)c1 ZINC000747668187 585182067 /nfs/dbraw/zinc/18/20/67/585182067.db2.gz AWGMOLIPCBUUCT-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CCN(Cc1cccnc1)c1ccc(C)cc1C ZINC000747674612 585182251 /nfs/dbraw/zinc/18/22/51/585182251.db2.gz GBVVIWFLZFOJIS-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN CCN(Cc1cscn1)c1cc(C)ccc1C ZINC000747675511 585182149 /nfs/dbraw/zinc/18/21/49/585182149.db2.gz PCXOWQDSBZLKPZ-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CCN(Cc1cscn1)c1ccc(C)cc1C ZINC000747675516 585182126 /nfs/dbraw/zinc/18/21/26/585182126.db2.gz PMAVDZWTWUYDEX-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CCN(Cc1ccncc1)c1ccc(C)cc1C ZINC000747676683 585182173 /nfs/dbraw/zinc/18/21/73/585182173.db2.gz YGQIFHUITCTQOW-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN CCN(Cc1cscn1)c1cccc(C)c1C ZINC000747681086 585182289 /nfs/dbraw/zinc/18/22/89/585182289.db2.gz HMLXAFFRHXYJBQ-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CCc1ccc(N(CC)Cc2cccnc2)cc1 ZINC000747681541 585182185 /nfs/dbraw/zinc/18/21/85/585182185.db2.gz AXFLJLVHEFVWCN-UHFFFAOYSA-N 0 0 240.350 3.671 20 0 BHADRN CCN(Cc1ccncc1)c1ccc(Cl)cc1 ZINC000747681676 583372567 /nfs/dbraw/zinc/37/25/67/583372567.db2.gz MRHOPIWEKASWOL-UHFFFAOYSA-N 0 0 246.741 3.762 20 0 BHADRN CCN(Cc1cnccc1C)c1ccc(C)cc1 ZINC000747681749 585182273 /nfs/dbraw/zinc/18/22/73/585182273.db2.gz REKDOGXATGVTAS-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN CCN(Cc1ccc(C)cn1)c1ccc(C)cc1 ZINC000747682173 585182366 /nfs/dbraw/zinc/18/23/66/585182366.db2.gz SAFIURJTWUELIW-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN CCN(CCSC)c1ccc(Cl)cc1 ZINC000747682317 585182363 /nfs/dbraw/zinc/18/23/63/585182363.db2.gz XYTDRMUBEIZJRC-UHFFFAOYSA-N 0 0 229.776 3.529 20 0 BHADRN CCCCCC[C@@H](C)C(=O)Nc1cccc(O)c1 ZINC000747682814 585182519 /nfs/dbraw/zinc/18/25/19/585182519.db2.gz ONRXOJQGUZTXFY-GFCCVEGCSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCCC[C@H](C)C(=O)Nc1cccc(O)c1 ZINC000747682816 585182352 /nfs/dbraw/zinc/18/23/52/585182352.db2.gz ONRXOJQGUZTXFY-LBPRGKRZSA-N 0 0 249.354 3.937 20 0 BHADRN CCc1ccc(N(CC)Cc2cscn2)cc1 ZINC000747683072 585182333 /nfs/dbraw/zinc/18/23/33/585182333.db2.gz QLOHGPBGVAMBQN-UHFFFAOYSA-N 0 0 246.379 3.732 20 0 BHADRN CCc1ccc(N(CC)Cc2ccncc2)cc1 ZINC000747683301 585182341 /nfs/dbraw/zinc/18/23/41/585182341.db2.gz ULGKQJQXYNMJHW-UHFFFAOYSA-N 0 0 240.350 3.671 20 0 BHADRN CCCC(C)(C)NC(=O)/C=C\c1cccc(F)c1 ZINC000747683743 585182432 /nfs/dbraw/zinc/18/24/32/585182432.db2.gz WDSAJQKUQLTLDG-HJWRWDBZSA-N 0 0 249.329 3.534 20 0 BHADRN CCCC(C)(C)NC(=O)/C=C\c1ccccc1F ZINC000747683774 585182555 /nfs/dbraw/zinc/18/25/55/585182555.db2.gz WORBDVPSMOLDQC-KTKRTIGZSA-N 0 0 249.329 3.534 20 0 BHADRN CCCC(C)(C)NC(=O)/C=C(\C)c1ccccc1 ZINC000747684658 585182483 /nfs/dbraw/zinc/18/24/83/585182483.db2.gz WUVSYEFEZHIVMG-OUKQBFOZSA-N 0 0 245.366 3.785 20 0 BHADRN CCCC(C)(C)NC(=O)/C=C(/C)c1ccccc1 ZINC000747684659 585182566 /nfs/dbraw/zinc/18/25/66/585182566.db2.gz WUVSYEFEZHIVMG-SEYXRHQNSA-N 0 0 245.366 3.785 20 0 BHADRN CCCCCC(C)(C)C(=O)Nc1cccc(O)c1 ZINC000747690652 585182557 /nfs/dbraw/zinc/18/25/57/585182557.db2.gz QJPNVIUSPAVEFS-UHFFFAOYSA-N 0 0 249.354 3.937 20 0 BHADRN CC(C)CCCCCC(=O)Nc1cccc(O)c1 ZINC000747695398 585182438 /nfs/dbraw/zinc/18/24/38/585182438.db2.gz KQYKRIZFSARQGI-UHFFFAOYSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1cccc(O)c1 ZINC000747696099 585182346 /nfs/dbraw/zinc/18/23/46/585182346.db2.gz PYUNXBBDVHBPHC-GFCCVEGCSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1cccc(O)c1 ZINC000747696101 585182376 /nfs/dbraw/zinc/18/23/76/585182376.db2.gz PYUNXBBDVHBPHC-LBPRGKRZSA-N 0 0 249.354 3.937 20 0 BHADRN Cc1cccc(COC(=O)[C@@H]2CC23CCCC3)c1 ZINC000747731498 585182883 /nfs/dbraw/zinc/18/28/83/585182883.db2.gz LSWAGHGOAYMWSC-AWEZNQCLSA-N 0 0 244.334 3.619 20 0 BHADRN Cc1cccc(COC(=O)[C@H]2CC23CCCC3)c1 ZINC000747731499 585183074 /nfs/dbraw/zinc/18/30/74/585183074.db2.gz LSWAGHGOAYMWSC-CQSZACIVSA-N 0 0 244.334 3.619 20 0 BHADRN Cc1ccccc1COC(=O)[C@@H]1CC12CCCC2 ZINC000747734627 585183038 /nfs/dbraw/zinc/18/30/38/585183038.db2.gz ZMPYRQIJEBWSBL-AWEZNQCLSA-N 0 0 244.334 3.619 20 0 BHADRN Cc1ccccc1COC(=O)[C@H]1CC12CCCC2 ZINC000747734631 585182956 /nfs/dbraw/zinc/18/29/56/585182956.db2.gz ZMPYRQIJEBWSBL-CQSZACIVSA-N 0 0 244.334 3.619 20 0 BHADRN Cc1csc(SC[C@@H](C)C(F)(F)F)n1 ZINC000747763617 585183768 /nfs/dbraw/zinc/18/37/68/585183768.db2.gz LEEOHTJICKMQLQ-RXMQYKEDSA-N 0 0 241.303 3.742 20 0 BHADRN Cc1csc(SC[C@H](C)C(F)(F)F)n1 ZINC000747763626 585183872 /nfs/dbraw/zinc/18/38/72/585183872.db2.gz LEEOHTJICKMQLQ-YFKPBYRVSA-N 0 0 241.303 3.742 20 0 BHADRN CC[C@H](CC(=O)OC1(C2CC2)CC1)C(C)C ZINC000747770112 585183809 /nfs/dbraw/zinc/18/38/09/585183809.db2.gz BFBJASLPVZLJMO-LLVKDONJSA-N 0 0 224.344 3.545 20 0 BHADRN CC[C@@H](CC(=O)OC1(C2CC2)CC1)C(C)C ZINC000747770113 585183798 /nfs/dbraw/zinc/18/37/98/585183798.db2.gz BFBJASLPVZLJMO-NSHDSACASA-N 0 0 224.344 3.545 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)OC1(C2CC2)CC1 ZINC000747770192 585183885 /nfs/dbraw/zinc/18/38/85/585183885.db2.gz GETFQXWYNZODBO-LLVKDONJSA-N 0 0 224.344 3.545 20 0 BHADRN CC(C)C[C@H](C)CC(=O)OC1(C2CC2)CC1 ZINC000747770193 585184107 /nfs/dbraw/zinc/18/41/07/585184107.db2.gz GETFQXWYNZODBO-NSHDSACASA-N 0 0 224.344 3.545 20 0 BHADRN O=C(OC1CCC1)c1cc(Cl)cc(Cl)c1 ZINC000747770985 585184066 /nfs/dbraw/zinc/18/40/66/585184066.db2.gz NBNBEHCWIKSGRX-UHFFFAOYSA-N 0 0 245.105 3.703 20 0 BHADRN O=C(OC1CCC1)c1ccc2ccccc2c1 ZINC000747771003 585184104 /nfs/dbraw/zinc/18/41/04/585184104.db2.gz NUXSGAHICLPPKG-UHFFFAOYSA-N 0 0 226.275 3.549 20 0 BHADRN Cc1cccc(C2(C(=O)OC3CCC3)CCC2)c1 ZINC000747771225 585184000 /nfs/dbraw/zinc/18/40/00/585184000.db2.gz SPLZBRHQMRCQBW-UHFFFAOYSA-N 0 0 244.334 3.512 20 0 BHADRN Cc1c2cc(F)ccc2oc1C(=O)OC1CCC1 ZINC000747771546 585183978 /nfs/dbraw/zinc/18/39/78/585183978.db2.gz ACHNJCGEGNIBFF-UHFFFAOYSA-N 0 0 248.253 3.590 20 0 BHADRN O=C(OC1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000747771820 585183928 /nfs/dbraw/zinc/18/39/28/585183928.db2.gz HDTOAASDQZCSGP-UHFFFAOYSA-N 0 0 245.105 3.703 20 0 BHADRN O=C(OC1CCC1)c1csc2ccccc12 ZINC000747772107 585183998 /nfs/dbraw/zinc/18/39/98/585183998.db2.gz MMHQLIUHTAJIRL-UHFFFAOYSA-N 0 0 232.304 3.611 20 0 BHADRN O=C(CC/C=C/c1ccccc1)OC1CCC1 ZINC000747772125 585183987 /nfs/dbraw/zinc/18/39/87/585183987.db2.gz NKYRRNXBTWTJIN-RUDMXATFSA-N 0 0 230.307 3.576 20 0 BHADRN O=C(CC/C=C\c1ccccc1)OC1CCC1 ZINC000747772126 585183967 /nfs/dbraw/zinc/18/39/67/585183967.db2.gz NKYRRNXBTWTJIN-WTKPLQERSA-N 0 0 230.307 3.576 20 0 BHADRN CCC[C@H](C(=O)OC1CCC1)c1ccccc1 ZINC000747772352 585184114 /nfs/dbraw/zinc/18/41/14/585184114.db2.gz HUMRNKFSMAWQGY-AWEZNQCLSA-N 0 0 232.323 3.666 20 0 BHADRN CCC[C@@H](C(=O)OC1CCC1)c1ccccc1 ZINC000747772354 585183999 /nfs/dbraw/zinc/18/39/99/585183999.db2.gz HUMRNKFSMAWQGY-CQSZACIVSA-N 0 0 232.323 3.666 20 0 BHADRN Cc1ccccc1[C@H](C)CC(=O)OC1CCC1 ZINC000747772665 585184007 /nfs/dbraw/zinc/18/40/07/585184007.db2.gz KCMMCDHTQYAPOK-GFCCVEGCSA-N 0 0 232.323 3.584 20 0 BHADRN Cc1ccccc1[C@@H](C)CC(=O)OC1CCC1 ZINC000747772666 585183960 /nfs/dbraw/zinc/18/39/60/585183960.db2.gz KCMMCDHTQYAPOK-LBPRGKRZSA-N 0 0 232.323 3.584 20 0 BHADRN O=C(C[C@H]1CCCc2ccccc21)OC1CCC1 ZINC000747772730 585184097 /nfs/dbraw/zinc/18/40/97/585184097.db2.gz ONRHGRLRQQHLKP-CYBMUJFWSA-N 0 0 244.334 3.592 20 0 BHADRN O=C(C[C@@H]1CCCc2ccccc21)OC1CCC1 ZINC000747772731 585184116 /nfs/dbraw/zinc/18/41/16/585184116.db2.gz ONRHGRLRQQHLKP-ZDUSSCGKSA-N 0 0 244.334 3.592 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)OC1(C2CC2)CC1 ZINC000747772941 585184042 /nfs/dbraw/zinc/18/40/42/585184042.db2.gz JXPLPOFOVWPEQN-LLVKDONJSA-N 0 0 236.355 3.689 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)OC1(C2CC2)CC1 ZINC000747772942 585183968 /nfs/dbraw/zinc/18/39/68/585183968.db2.gz JXPLPOFOVWPEQN-NSHDSACASA-N 0 0 236.355 3.689 20 0 BHADRN CC(C)[C@H](Cc1ccccc1)C(=O)OC1CCC1 ZINC000747773112 585183966 /nfs/dbraw/zinc/18/39/66/585183966.db2.gz UJAQVMRLWDAAQN-HNNXBMFYSA-N 0 0 246.350 3.597 20 0 BHADRN CC(C)[C@@H](Cc1ccccc1)C(=O)OC1CCC1 ZINC000747773114 585183930 /nfs/dbraw/zinc/18/39/30/585183930.db2.gz UJAQVMRLWDAAQN-OAHLLOKOSA-N 0 0 246.350 3.597 20 0 BHADRN O=C(OC1CCC1)c1cc2ccccc2s1 ZINC000747773204 585183945 /nfs/dbraw/zinc/18/39/45/585183945.db2.gz XNZWCBXXMWLSOS-UHFFFAOYSA-N 0 0 232.304 3.611 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)OC2(C3CC3)CC2)c1 ZINC000747773496 585183927 /nfs/dbraw/zinc/18/39/27/585183927.db2.gz OEEKVYQGXDZPND-GFCCVEGCSA-N 0 0 244.334 3.584 20 0 BHADRN Cc1cccc([C@H](C)C(=O)OC2(C3CC3)CC2)c1 ZINC000747773497 585183975 /nfs/dbraw/zinc/18/39/75/585183975.db2.gz OEEKVYQGXDZPND-LBPRGKRZSA-N 0 0 244.334 3.584 20 0 BHADRN CC(C)(C)CCCC(=O)OC1(C2CC2)CC1 ZINC000747773939 585183932 /nfs/dbraw/zinc/18/39/32/585183932.db2.gz XUUAQMNGLACZKY-UHFFFAOYSA-N 0 0 224.344 3.689 20 0 BHADRN CC(=O)c1c(F)cccc1NCc1ccoc1C ZINC000747803679 585184646 /nfs/dbraw/zinc/18/46/46/585184646.db2.gz NVZCEUBCZQYTOP-UHFFFAOYSA-N 0 0 247.269 3.542 20 0 BHADRN Clc1ccc(SCCC2CCCC2)nn1 ZINC000747808318 585184490 /nfs/dbraw/zinc/18/44/90/585184490.db2.gz FEWODFJUMXKFLD-UHFFFAOYSA-N 0 0 242.775 3.802 20 0 BHADRN Oc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000747809514 585184560 /nfs/dbraw/zinc/18/45/60/585184560.db2.gz UHSRCPJUOQBQMP-SSDOTTSWSA-N 0 0 249.162 3.678 20 0 BHADRN Oc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000747809515 585184634 /nfs/dbraw/zinc/18/46/34/585184634.db2.gz UHSRCPJUOQBQMP-ZETCQYMHSA-N 0 0 249.162 3.678 20 0 BHADRN CCSCCSc1ccc(COC)cc1 ZINC000747812926 585184493 /nfs/dbraw/zinc/18/44/93/585184493.db2.gz BTAHMAKOLOLHGC-UHFFFAOYSA-N 0 0 242.409 3.678 20 0 BHADRN COCc1ccc(SC/C=C/Cl)cc1 ZINC000747813750 585184644 /nfs/dbraw/zinc/18/46/44/585184644.db2.gz JRYJSDUVFPCAGE-FARCUNLSSA-N 0 0 228.744 3.678 20 0 BHADRN COCc1ccc(SC/C=C\Cl)cc1 ZINC000747813751 585184473 /nfs/dbraw/zinc/18/44/73/585184473.db2.gz JRYJSDUVFPCAGE-UQCOIBPSSA-N 0 0 228.744 3.678 20 0 BHADRN O=C(C/C=C\c1ccc(F)cc1)OC1CCCC1 ZINC000747819422 585184707 /nfs/dbraw/zinc/18/47/07/585184707.db2.gz YUEUQKIEOCSFIH-ARJAWSKDSA-N 0 0 248.297 3.715 20 0 BHADRN O=C(C/C=C/c1ccc(F)cc1)OC1CCCC1 ZINC000747819423 585184819 /nfs/dbraw/zinc/18/48/19/585184819.db2.gz YUEUQKIEOCSFIH-ONEGZZNKSA-N 0 0 248.297 3.715 20 0 BHADRN CCCCC[C@@H](C)NC(=O)CSCCCC ZINC000747824830 585184692 /nfs/dbraw/zinc/18/46/92/585184692.db2.gz SQFHEBRELSNZTE-GFCCVEGCSA-N 0 0 245.432 3.605 20 0 BHADRN CCCCC[C@H](C)NC(=O)CSCCCC ZINC000747824832 585184673 /nfs/dbraw/zinc/18/46/73/585184673.db2.gz SQFHEBRELSNZTE-LBPRGKRZSA-N 0 0 245.432 3.605 20 0 BHADRN c1nc(CSc2nc3ccccc3o2)cs1 ZINC000747836004 585184901 /nfs/dbraw/zinc/18/49/01/585184901.db2.gz XGVCRLQMBARRRZ-UHFFFAOYSA-N 0 0 248.332 3.577 20 0 BHADRN Clc1cc(CSCC2CCC2)ccn1 ZINC000747846247 585184957 /nfs/dbraw/zinc/18/49/57/585184957.db2.gz KIVUIHAEAZWJOG-UHFFFAOYSA-N 0 0 227.760 3.768 20 0 BHADRN CCCCN(C)C(=O)CCCCCC(C)C ZINC000747873527 585185399 /nfs/dbraw/zinc/18/53/99/585185399.db2.gz JSXBGWFRVJBDEH-UHFFFAOYSA-N 0 0 227.392 3.851 20 0 BHADRN Cc1cc(OC(=O)[C@H](C)C2CC2)ccc1Cl ZINC000747873586 585185293 /nfs/dbraw/zinc/18/52/93/585185293.db2.gz VCKJFQIGMAEOFF-SECBINFHSA-N 0 0 238.714 3.600 20 0 BHADRN Cc1cc(OC(=O)[C@@H](C)C2CC2)ccc1Cl ZINC000747873589 585185327 /nfs/dbraw/zinc/18/53/27/585185327.db2.gz VCKJFQIGMAEOFF-VIFPVBQESA-N 0 0 238.714 3.600 20 0 BHADRN CC(C)CCCCCC(=O)N1CCCC[C@@H]1C ZINC000747873630 585185384 /nfs/dbraw/zinc/18/53/84/585185384.db2.gz VJPUYBDDUXOMJE-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)CCCCCC(=O)N1CCCC[C@H]1C ZINC000747873632 585185428 /nfs/dbraw/zinc/18/54/28/585185428.db2.gz VJPUYBDDUXOMJE-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)CCCCCC(=O)OCc1ccccn1 ZINC000747873693 585185313 /nfs/dbraw/zinc/18/53/13/585185313.db2.gz WGESZXLQHXTWFS-UHFFFAOYSA-N 0 0 249.354 3.731 20 0 BHADRN CCC[C@@H](C)NC(=O)CCCCCC(C)C ZINC000747873897 585185460 /nfs/dbraw/zinc/18/54/60/585185460.db2.gz XDATWDPHWPSGHF-CYBMUJFWSA-N 0 0 227.392 3.898 20 0 BHADRN CCC[C@H](C)NC(=O)CCCCCC(C)C ZINC000747873899 585185392 /nfs/dbraw/zinc/18/53/92/585185392.db2.gz XDATWDPHWPSGHF-ZDUSSCGKSA-N 0 0 227.392 3.898 20 0 BHADRN CC(C)CCCCCC(=O)NCc1ccco1 ZINC000747873905 585184931 /nfs/dbraw/zinc/18/49/31/585184931.db2.gz XNUCMVBGCOQDET-UHFFFAOYSA-N 0 0 237.343 3.502 20 0 BHADRN CCC(CC)NC(=O)CCCCCC(C)C ZINC000747873911 585185321 /nfs/dbraw/zinc/18/53/21/585185321.db2.gz YHBUOLCKCBIKPB-UHFFFAOYSA-N 0 0 227.392 3.898 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@H](C)C2CC2)c1C ZINC000747873914 585185365 /nfs/dbraw/zinc/18/53/65/585185365.db2.gz YHZVPSXICQDHRC-GFCCVEGCSA-N 0 0 232.323 3.563 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@@H](C)C2CC2)c1C ZINC000747873923 585185398 /nfs/dbraw/zinc/18/53/98/585185398.db2.gz YHZVPSXICQDHRC-LBPRGKRZSA-N 0 0 232.323 3.563 20 0 BHADRN CCN(C(=O)CCCCCC(C)C)C(C)C ZINC000747874348 585185277 /nfs/dbraw/zinc/18/52/77/585185277.db2.gz CASSJQMJJOOXRS-UHFFFAOYSA-N 0 0 227.392 3.850 20 0 BHADRN CC(C)CCCCCC(=O)N(C)C1CCCC1 ZINC000747874569 585185300 /nfs/dbraw/zinc/18/53/00/585185300.db2.gz PIZCRDLAYJBHSW-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)c1ccc(OC(=O)[C@H](C)C2CC2)cc1 ZINC000747874575 585185400 /nfs/dbraw/zinc/18/54/00/585185400.db2.gz PMJDDANIYUKIBX-LLVKDONJSA-N 0 0 232.323 3.762 20 0 BHADRN CC(C)c1ccc(OC(=O)[C@@H](C)C2CC2)cc1 ZINC000747874577 585185374 /nfs/dbraw/zinc/18/53/74/585185374.db2.gz PMJDDANIYUKIBX-NSHDSACASA-N 0 0 232.323 3.762 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)[C@H](C)C2CC2)c1 ZINC000747874583 585185008 /nfs/dbraw/zinc/18/50/08/585185008.db2.gz PPDGTBJPTVUJCL-GFCCVEGCSA-N 0 0 232.323 3.563 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)[C@@H](C)C2CC2)c1 ZINC000747874584 585184953 /nfs/dbraw/zinc/18/49/53/585184953.db2.gz PPDGTBJPTVUJCL-LBPRGKRZSA-N 0 0 232.323 3.563 20 0 BHADRN CC[C@@H](C)N(C)C(=O)CCCCCC(C)C ZINC000747874681 585185396 /nfs/dbraw/zinc/18/53/96/585185396.db2.gz PAZUCQGQKBNDQP-CYBMUJFWSA-N 0 0 227.392 3.850 20 0 BHADRN CC[C@H](C)N(C)C(=O)CCCCCC(C)C ZINC000747874683 585185343 /nfs/dbraw/zinc/18/53/43/585185343.db2.gz PAZUCQGQKBNDQP-ZDUSSCGKSA-N 0 0 227.392 3.850 20 0 BHADRN CC(C)CCCCCC(=O)N1C2CCC1CC2 ZINC000747874729 585185372 /nfs/dbraw/zinc/18/53/72/585185372.db2.gz QFWNRJHDSJTKMP-UHFFFAOYSA-N 0 0 237.387 3.746 20 0 BHADRN CC(C)CCCCCC(=O)N(C)CC(C)C ZINC000747874730 585185286 /nfs/dbraw/zinc/18/52/86/585185286.db2.gz QGZLZTFVCHYFSR-UHFFFAOYSA-N 0 0 227.392 3.707 20 0 BHADRN CCc1ccc(N(CC)C(=O)[C@H](C)C2CC2)cc1 ZINC000747874746 585185298 /nfs/dbraw/zinc/18/52/98/585185298.db2.gz QVSGNMFHLSNFAJ-GFCCVEGCSA-N 0 0 245.366 3.648 20 0 BHADRN CCc1ccc(N(CC)C(=O)[C@@H](C)C2CC2)cc1 ZINC000747874747 585185386 /nfs/dbraw/zinc/18/53/86/585185386.db2.gz QVSGNMFHLSNFAJ-LBPRGKRZSA-N 0 0 245.366 3.648 20 0 BHADRN CC(C)CCCCCC(=O)N[C@H](C)C1CC1 ZINC000747875002 585185371 /nfs/dbraw/zinc/18/53/71/585185371.db2.gz WPCKHWKNQLYSJH-GFCCVEGCSA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)CCCCCC(=O)N(C(C)C)C1CC1 ZINC000747875237 585185363 /nfs/dbraw/zinc/18/53/63/585185363.db2.gz USJBCJKYVDKUPW-UHFFFAOYSA-N 0 0 239.403 3.992 20 0 BHADRN CC(C)CCCCCC(=O)Nc1cccnc1 ZINC000747875301 585185310 /nfs/dbraw/zinc/18/53/10/585185310.db2.gz XHMXZHDWRRWKCS-UHFFFAOYSA-N 0 0 234.343 3.627 20 0 BHADRN CCN(C(=O)CCCCCC(C)C)C1CC1 ZINC000747875305 585185402 /nfs/dbraw/zinc/18/54/02/585185402.db2.gz XNOOMKRWOREXGW-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CC(C)CCCCCC(=O)NC[C@@H](C)C1CC1 ZINC000747875471 585185290 /nfs/dbraw/zinc/18/52/90/585185290.db2.gz NTXJEQFHJPMACN-CYBMUJFWSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CCCCCC(=O)NC[C@H](C)C1CC1 ZINC000747875472 585185262 /nfs/dbraw/zinc/18/52/62/585185262.db2.gz NTXJEQFHJPMACN-ZDUSSCGKSA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CCCCCC(=O)N(C)c1ccccn1 ZINC000747875473 585185351 /nfs/dbraw/zinc/18/53/51/585185351.db2.gz NVHKNDUUFSQQLB-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CC(C)CCCCCC(=O)NCC(C)(C)C ZINC000747875791 585185354 /nfs/dbraw/zinc/18/53/54/585185354.db2.gz VANLFQCZOXUDQS-UHFFFAOYSA-N 0 0 227.392 3.755 20 0 BHADRN CC(C)CCCCCC(=O)N(C)C1CCC1 ZINC000747876736 585185390 /nfs/dbraw/zinc/18/53/90/585185390.db2.gz MHBRHNJVAQBYFS-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CC(C)CCCCCC(=O)NC(C)(C)C1CC1 ZINC000747877366 585185093 /nfs/dbraw/zinc/18/50/93/585185093.db2.gz SPFXHZAZGZGQIT-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1ccncc1NC(=O)CCCCCC(C)C ZINC000747877678 585185441 /nfs/dbraw/zinc/18/54/41/585185441.db2.gz SMEWHGHYFFUQTA-UHFFFAOYSA-N 0 0 248.370 3.935 20 0 BHADRN CCCN(C(=O)CCCCCC(C)C)C1CC1 ZINC000747877836 585185404 /nfs/dbraw/zinc/18/54/04/585185404.db2.gz WGCDPRHDOLDHLJ-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)CCCCCC(=O)NCCC1CC1 ZINC000747877859 585185431 /nfs/dbraw/zinc/18/54/31/585185431.db2.gz YQFPDVCAWQFRFF-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)[C@H](C)C1CC1 ZINC000747878370 711766848 /nfs/dbraw/zinc/76/68/48/711766848.db2.gz DUPYNAHURWLAAU-SECBINFHSA-N 0 0 238.714 3.600 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)[C@@H](C)C1CC1 ZINC000747878371 711766918 /nfs/dbraw/zinc/76/69/18/711766918.db2.gz DUPYNAHURWLAAU-VIFPVBQESA-N 0 0 238.714 3.600 20 0 BHADRN CC(C)CCCCCC(=O)N[C@H]1CCC[C@@H]1C ZINC000747878661 585185380 /nfs/dbraw/zinc/18/53/80/585185380.db2.gz IDJNJPOXVOZPCT-KBPBESRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CCCCCC(=O)N[C@H]1CCC[C@H]1C ZINC000747878662 585185345 /nfs/dbraw/zinc/18/53/45/585185345.db2.gz IDJNJPOXVOZPCT-KGLIPLIRSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CCCCCC(=O)N[C@@H]1CCC[C@@H]1C ZINC000747878663 585185416 /nfs/dbraw/zinc/18/54/16/585185416.db2.gz IDJNJPOXVOZPCT-UONOGXRCSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CCCCCC(=O)N[C@@H]1CCC[C@H]1C ZINC000747878664 585185450 /nfs/dbraw/zinc/18/54/50/585185450.db2.gz IDJNJPOXVOZPCT-ZIAGYGMSSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CCCCCC(=O)N[C@H]1CC=CCC1 ZINC000747878890 585185487 /nfs/dbraw/zinc/18/54/87/585185487.db2.gz LRHUXFBWKHPGJU-AWEZNQCLSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)CCCCCC(=O)N[C@@H]1CC=CCC1 ZINC000747878891 585185512 /nfs/dbraw/zinc/18/55/12/585185512.db2.gz LRHUXFBWKHPGJU-CQSZACIVSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)CCCCCC(=O)N(C)c1cccnc1 ZINC000747878893 585185509 /nfs/dbraw/zinc/18/55/09/585185509.db2.gz LSOYFGMHCFCYBE-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CCN(CC1CC1)C(=O)CCCCCC(C)C ZINC000747878930 583402824 /nfs/dbraw/zinc/40/28/24/583402824.db2.gz MDRUSTIUWMSNFN-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)CCCCCC(=O)NCc1ccoc1 ZINC000747879024 585185521 /nfs/dbraw/zinc/18/55/21/585185521.db2.gz OFKRNDLQJITSJO-UHFFFAOYSA-N 0 0 237.343 3.502 20 0 BHADRN O=C(O[C@H]1CCc2ccc(F)cc21)C1CCCC1 ZINC000747879458 585185497 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CC(C)CCCCCC(=O)N1C[C@@H](C)C[C@@H]1C ZINC000747907615 585185679 /nfs/dbraw/zinc/18/56/79/585185679.db2.gz OGSGPDGQZCNZDY-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)CCCCCC(=O)N1C[C@H](C)C[C@@H]1C ZINC000747907618 585185588 /nfs/dbraw/zinc/18/55/88/585185588.db2.gz OGSGPDGQZCNZDY-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)CCCCCC(=O)N1C[C@@H](C)C[C@H]1C ZINC000747907620 585185647 /nfs/dbraw/zinc/18/56/47/585185647.db2.gz OGSGPDGQZCNZDY-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)CCCCCC(=O)N1C[C@H](C)C[C@H]1C ZINC000747907622 585185621 /nfs/dbraw/zinc/18/56/21/585185621.db2.gz OGSGPDGQZCNZDY-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CC[C@H]1CCCN1C(=O)CCCCCC(C)C ZINC000747907672 585185755 /nfs/dbraw/zinc/18/57/55/585185755.db2.gz QPLREGQJVJIQFX-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CC[C@@H]1CCCN1C(=O)CCCCCC(C)C ZINC000747907675 585185665 /nfs/dbraw/zinc/18/56/65/585185665.db2.gz QPLREGQJVJIQFX-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)CCCCCCNC(=O)[C@H](C)C1CC1 ZINC000747908212 585185686 /nfs/dbraw/zinc/18/56/86/585185686.db2.gz XBTVOWPFRWIMNZ-CYBMUJFWSA-N 0 0 239.403 3.755 20 0 BHADRN Cc1ccc(NC/C=C\c2ccc(F)cc2)nc1 ZINC000747917542 585185956 /nfs/dbraw/zinc/18/59/56/585185956.db2.gz ZHRWIPJGQRMSGN-IHWYPQMZSA-N 0 0 242.297 3.654 20 0 BHADRN CC(C)CCCCCC(=O)N1CCC(C)(C)C1 ZINC000747923392 585185907 /nfs/dbraw/zinc/18/59/07/585185907.db2.gz ZLBKZWISMCVGLY-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCCC[C@@H](C)C(=O)Nc1ccc(O)cc1 ZINC000747928115 585185838 /nfs/dbraw/zinc/18/58/38/585185838.db2.gz FXQVMJOBWUTLHA-GFCCVEGCSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCCC[C@H](C)C(=O)Nc1ccc(O)cc1 ZINC000747928116 585185905 /nfs/dbraw/zinc/18/59/05/585185905.db2.gz FXQVMJOBWUTLHA-LBPRGKRZSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCCC(C)(C)C(=O)Nc1ccc(O)cc1 ZINC000747930161 585185924 /nfs/dbraw/zinc/18/59/24/585185924.db2.gz YWBUGJOJEVRENH-UHFFFAOYSA-N 0 0 249.354 3.937 20 0 BHADRN CC(C)CCCCCC(=O)Nc1ccccc1O ZINC000747936527 585186111 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PGFVFLLFVVZAEL-SNVBAGLBSA-N 0 0 240.730 3.614 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccc(F)cc1Cl ZINC000748103177 585187205 /nfs/dbraw/zinc/18/72/05/585187205.db2.gz UMUGWDGVDRZFFK-MRVPVSSYSA-N 0 0 244.693 3.825 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccc(F)cc1Cl ZINC000748103180 585187192 /nfs/dbraw/zinc/18/71/92/585187192.db2.gz UMUGWDGVDRZFFK-QMMMGPOBSA-N 0 0 244.693 3.825 20 0 BHADRN CCC[C@@H](C)OC(=O)c1c(F)cccc1Cl ZINC000748103193 585187248 /nfs/dbraw/zinc/18/72/48/585187248.db2.gz QZKXXMAVWRNBIA-MRVPVSSYSA-N 0 0 244.693 3.825 20 0 BHADRN CCC[C@H](C)OC(=O)c1c(F)cccc1Cl ZINC000748103195 585187263 /nfs/dbraw/zinc/18/72/63/585187263.db2.gz QZKXXMAVWRNBIA-QMMMGPOBSA-N 0 0 244.693 3.825 20 0 BHADRN CCC[C@H](C)OC(=O)c1cc2ccccc2[nH]1 ZINC000748103402 585187245 /nfs/dbraw/zinc/18/72/45/585187245.db2.gz ZVEXCUVZZMITLS-JTQLQIEISA-N 0 0 231.295 3.513 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cc2ccccc2[nH]1 ZINC000748103403 585187246 /nfs/dbraw/zinc/18/72/46/585187246.db2.gz ZVEXCUVZZMITLS-SNVBAGLBSA-N 0 0 231.295 3.513 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccc(Cl)s1 ZINC000748103465 585187175 /nfs/dbraw/zinc/18/71/75/585187175.db2.gz JATLRYUSZNEFJK-SSDOTTSWSA-N 0 0 232.732 3.747 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccc(Cl)s1 ZINC000748103477 585187185 /nfs/dbraw/zinc/18/71/85/585187185.db2.gz JATLRYUSZNEFJK-ZETCQYMHSA-N 0 0 232.732 3.747 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccc2ncsc2c1 ZINC000748103518 585187284 /nfs/dbraw/zinc/18/72/84/585187284.db2.gz JFZXRELJLZWEQC-SECBINFHSA-N 0 0 249.335 3.642 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccc2ncsc2c1 ZINC000748103520 585187334 /nfs/dbraw/zinc/18/73/34/585187334.db2.gz JFZXRELJLZWEQC-VIFPVBQESA-N 0 0 249.335 3.642 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccc(Cl)cc1F ZINC000748105702 585187161 /nfs/dbraw/zinc/18/71/61/585187161.db2.gz GTHQSRXQODUMBD-MRVPVSSYSA-N 0 0 244.693 3.825 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccc(Cl)cc1F ZINC000748105703 585187288 /nfs/dbraw/zinc/18/72/88/585187288.db2.gz GTHQSRXQODUMBD-QMMMGPOBSA-N 0 0 244.693 3.825 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccnc2ccccc21 ZINC000748107402 585187147 /nfs/dbraw/zinc/18/71/47/585187147.db2.gz AHCVDGYCGBPPTG-LLVKDONJSA-N 0 0 243.306 3.580 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccnc2ccccc21 ZINC000748107407 585187162 /nfs/dbraw/zinc/18/71/62/585187162.db2.gz AHCVDGYCGBPPTG-NSHDSACASA-N 0 0 243.306 3.580 20 0 BHADRN CCC[C@H](C)OC(=O)Cc1ccccc1Cl ZINC000748109167 585187224 /nfs/dbraw/zinc/18/72/24/585187224.db2.gz OVMARVDTLSERFC-JTQLQIEISA-N 0 0 240.730 3.614 20 0 BHADRN CCC[C@@H](C)OC(=O)Cc1ccccc1Cl ZINC000748109169 585187153 /nfs/dbraw/zinc/18/71/53/585187153.db2.gz OVMARVDTLSERFC-SNVBAGLBSA-N 0 0 240.730 3.614 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccc2cc[nH]c2c1 ZINC000748110321 585187271 /nfs/dbraw/zinc/18/72/71/585187271.db2.gz DELXFHMVKSEETF-JTQLQIEISA-N 0 0 231.295 3.513 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccc2cc[nH]c2c1 ZINC000748110322 585187240 /nfs/dbraw/zinc/18/72/40/585187240.db2.gz DELXFHMVKSEETF-SNVBAGLBSA-N 0 0 231.295 3.513 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cccc2ncccc21 ZINC000748110860 585187324 /nfs/dbraw/zinc/18/73/24/585187324.db2.gz LRHOISIJMYKYOS-LLVKDONJSA-N 0 0 243.306 3.580 20 0 BHADRN CCC[C@H](C)OC(=O)c1cccc2ncccc21 ZINC000748110865 585187200 /nfs/dbraw/zinc/18/72/00/585187200.db2.gz LRHOISIJMYKYOS-NSHDSACASA-N 0 0 243.306 3.580 20 0 BHADRN CCC[C@@H](C)OC(=O)CSc1ccccc1 ZINC000748111398 585187349 /nfs/dbraw/zinc/18/73/49/585187349.db2.gz HWFCFOPUYWSLLG-LLVKDONJSA-N 0 0 238.352 3.511 20 0 BHADRN CCC[C@H](C)OC(=O)CSc1ccccc1 ZINC000748111407 585187283 /nfs/dbraw/zinc/18/72/83/585187283.db2.gz HWFCFOPUYWSLLG-NSHDSACASA-N 0 0 238.352 3.511 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cc2ccsc2[nH]1 ZINC000748112699 585187426 /nfs/dbraw/zinc/18/74/26/585187426.db2.gz QGWXALIMEVZKHR-MRVPVSSYSA-N 0 0 237.324 3.575 20 0 BHADRN CCC[C@@H](C)OC(=O)CCCc1cccs1 ZINC000748113158 585187462 /nfs/dbraw/zinc/18/74/62/585187462.db2.gz YEDDULYLPACMBR-LLVKDONJSA-N 0 0 240.368 3.803 20 0 BHADRN CCC[C@H](C)OC(=O)CCCc1cccs1 ZINC000748113159 585187520 /nfs/dbraw/zinc/18/75/20/585187520.db2.gz YEDDULYLPACMBR-NSHDSACASA-N 0 0 240.368 3.803 20 0 BHADRN CCC[C@@H](C)OC(=O)C(C)(C)c1ccccc1 ZINC000748113186 585187369 /nfs/dbraw/zinc/18/73/69/585187369.db2.gz ZIMXMMIWFFFWOJ-GFCCVEGCSA-N 0 0 234.339 3.696 20 0 BHADRN CCC[C@H](C)OC(=O)C(C)(C)c1ccccc1 ZINC000748113187 585187380 /nfs/dbraw/zinc/18/73/80/585187380.db2.gz ZIMXMMIWFFFWOJ-LBPRGKRZSA-N 0 0 234.339 3.696 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccc2ncccc2c1 ZINC000748118887 585187547 /nfs/dbraw/zinc/18/75/47/585187547.db2.gz NFQKINSGMBWKMF-LLVKDONJSA-N 0 0 243.306 3.580 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccc2ncccc2c1 ZINC000748118888 585187514 /nfs/dbraw/zinc/18/75/14/585187514.db2.gz NFQKINSGMBWKMF-NSHDSACASA-N 0 0 243.306 3.580 20 0 BHADRN CCC[C@H](C)OC(=O)C(F)(F)c1ccccc1 ZINC000748119551 585187365 /nfs/dbraw/zinc/18/73/65/585187365.db2.gz SOZBVAVDHWXDKW-JTQLQIEISA-N 0 0 242.265 3.510 20 0 BHADRN CCC[C@@H](C)OC(=O)C(F)(F)c1ccccc1 ZINC000748119552 585187517 /nfs/dbraw/zinc/18/75/17/585187517.db2.gz SOZBVAVDHWXDKW-SNVBAGLBSA-N 0 0 242.265 3.510 20 0 BHADRN CCC[C@H](C)OC(=O)Cc1cccc(Cl)c1 ZINC000748120104 585187450 /nfs/dbraw/zinc/18/74/50/585187450.db2.gz MPIYCLBQNASOMD-JTQLQIEISA-N 0 0 240.730 3.614 20 0 BHADRN CCC[C@@H](C)OC(=O)Cc1cccc(Cl)c1 ZINC000748120105 585187466 /nfs/dbraw/zinc/18/74/66/585187466.db2.gz MPIYCLBQNASOMD-SNVBAGLBSA-N 0 0 240.730 3.614 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccc(C(F)F)cc1 ZINC000748120945 585187524 /nfs/dbraw/zinc/18/75/24/585187524.db2.gz NQEOXAQFJRLTOH-SECBINFHSA-N 0 0 242.265 3.970 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccc(C(F)F)cc1 ZINC000748120947 585187286 /nfs/dbraw/zinc/18/72/86/585187286.db2.gz NQEOXAQFJRLTOH-VIFPVBQESA-N 0 0 242.265 3.970 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@H](C)c1ccccc1F ZINC000748121108 585187743 /nfs/dbraw/zinc/18/77/43/585187743.db2.gz CMPJJIATWROKJZ-GHMZBOCLSA-N 0 0 238.302 3.661 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@@H](C)c1ccccc1F ZINC000748121112 585187754 /nfs/dbraw/zinc/18/77/54/585187754.db2.gz CMPJJIATWROKJZ-MNOVXSKESA-N 0 0 238.302 3.661 20 0 BHADRN CCC[C@H](C)OC(=O)[C@@H](C)c1ccccc1F ZINC000748121115 585187685 /nfs/dbraw/zinc/18/76/85/585187685.db2.gz CMPJJIATWROKJZ-QWRGUYRKSA-N 0 0 238.302 3.661 20 0 BHADRN CCC[C@H](C)OC(=O)[C@H](C)c1ccccc1F ZINC000748121119 585187590 /nfs/dbraw/zinc/18/75/90/585187590.db2.gz CMPJJIATWROKJZ-WDEREUQCSA-N 0 0 238.302 3.661 20 0 BHADRN CCC[C@H](C)OC(=O)[C@@H](CC)Nc1ccccc1 ZINC000748122463 583426754 /nfs/dbraw/zinc/42/67/54/583426754.db2.gz MMWXXGCIRFDAPB-GXTWGEPZSA-N 0 0 249.354 3.609 20 0 BHADRN CCC[C@H](C)OC(=O)[C@H](CC)Nc1ccccc1 ZINC000748122469 583426680 /nfs/dbraw/zinc/42/66/80/583426680.db2.gz MMWXXGCIRFDAPB-JSGCOSHPSA-N 0 0 249.354 3.609 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@H](CC)Nc1ccccc1 ZINC000748122474 583426781 /nfs/dbraw/zinc/42/67/81/583426781.db2.gz MMWXXGCIRFDAPB-OCCSQVGLSA-N 0 0 249.354 3.609 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@@H](CC)Nc1ccccc1 ZINC000748122484 583426762 /nfs/dbraw/zinc/42/67/62/583426762.db2.gz MMWXXGCIRFDAPB-TZMCWYRMSA-N 0 0 249.354 3.609 20 0 BHADRN CCC[C@@H](C)OC(=O)Cc1cc2ccccc2o1 ZINC000748123587 585187634 /nfs/dbraw/zinc/18/76/34/585187634.db2.gz PSXJKXHZUXFPFH-LLVKDONJSA-N 0 0 246.306 3.707 20 0 BHADRN CCC[C@H](C)OC(=O)Cc1cc2ccccc2o1 ZINC000748123588 585187672 /nfs/dbraw/zinc/18/76/72/585187672.db2.gz PSXJKXHZUXFPFH-NSHDSACASA-N 0 0 246.306 3.707 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@H](C)Cc1ccccc1 ZINC000748123656 585187663 /nfs/dbraw/zinc/18/76/63/585187663.db2.gz XQXNBVTYKZSBAP-CHWSQXEVSA-N 0 0 234.339 3.597 20 0 BHADRN CCC[C@H](C)OC(=O)[C@H](C)Cc1ccccc1 ZINC000748123657 585187686 /nfs/dbraw/zinc/18/76/86/585187686.db2.gz XQXNBVTYKZSBAP-OLZOCXBDSA-N 0 0 234.339 3.597 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@@H](C)Cc1ccccc1 ZINC000748123659 585187753 /nfs/dbraw/zinc/18/77/53/585187753.db2.gz XQXNBVTYKZSBAP-QWHCGFSZSA-N 0 0 234.339 3.597 20 0 BHADRN CCC[C@H](C)OC(=O)[C@@H](C)Cc1ccccc1 ZINC000748123660 585187567 /nfs/dbraw/zinc/18/75/67/585187567.db2.gz XQXNBVTYKZSBAP-STQMWFEESA-N 0 0 234.339 3.597 20 0 BHADRN CCC[C@@H](C)OC(=O)CC1=CCCCC1 ZINC000748124766 585187586 /nfs/dbraw/zinc/18/75/86/585187586.db2.gz KQGIUNCPVTVWGN-LLVKDONJSA-N 0 0 210.317 3.609 20 0 BHADRN CCC[C@H](C)OC(=O)CC1=CCCCC1 ZINC000748124767 585187608 /nfs/dbraw/zinc/18/76/08/585187608.db2.gz KQGIUNCPVTVWGN-NSHDSACASA-N 0 0 210.317 3.609 20 0 BHADRN CCC[C@@H](C)OC(=O)c1sccc1SC ZINC000748124779 585187560 /nfs/dbraw/zinc/18/75/60/585187560.db2.gz LIPZTFIOUSAHKH-MRVPVSSYSA-N 0 0 244.381 3.815 20 0 BHADRN CCC[C@H](C)OC(=O)c1sccc1SC ZINC000748124780 585187625 /nfs/dbraw/zinc/18/76/25/585187625.db2.gz LIPZTFIOUSAHKH-QMMMGPOBSA-N 0 0 244.381 3.815 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cccc(C(F)F)c1 ZINC000748125525 585187727 /nfs/dbraw/zinc/18/77/27/585187727.db2.gz QRVDLVUOQNRQOI-SECBINFHSA-N 0 0 242.265 3.970 20 0 BHADRN CCC[C@H](C)OC(=O)c1cccc(C(F)F)c1 ZINC000748125526 585187771 /nfs/dbraw/zinc/18/77/71/585187771.db2.gz QRVDLVUOQNRQOI-VIFPVBQESA-N 0 0 242.265 3.970 20 0 BHADRN CCC[C@H](C)OC(=O)C(C)(C)c1cccs1 ZINC000748125726 585187665 /nfs/dbraw/zinc/18/76/65/585187665.db2.gz HVIJXKCKKNPGHQ-JTQLQIEISA-N 0 0 240.368 3.758 20 0 BHADRN CCC[C@@H](C)OC(=O)C(C)(C)c1cccs1 ZINC000748125728 585187768 /nfs/dbraw/zinc/18/77/68/585187768.db2.gz HVIJXKCKKNPGHQ-SNVBAGLBSA-N 0 0 240.368 3.758 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccc2[nH]ccc2c1 ZINC000748126573 585187747 /nfs/dbraw/zinc/18/77/47/585187747.db2.gz XNVHKJWRGGEJSG-JTQLQIEISA-N 0 0 231.295 3.513 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccc2[nH]ccc2c1 ZINC000748126574 585187725 /nfs/dbraw/zinc/18/77/25/585187725.db2.gz XNVHKJWRGGEJSG-SNVBAGLBSA-N 0 0 231.295 3.513 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cnc2ccsc2c1 ZINC000748128167 585188032 /nfs/dbraw/zinc/18/80/32/585188032.db2.gz AFKUYVOXCOTBFC-SECBINFHSA-N 0 0 249.335 3.642 20 0 BHADRN CCC[C@H](C)OC(=O)c1cnc2ccsc2c1 ZINC000748128169 585187960 /nfs/dbraw/zinc/18/79/60/585187960.db2.gz AFKUYVOXCOTBFC-VIFPVBQESA-N 0 0 249.335 3.642 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@H](C)c1cccc(F)c1 ZINC000748128170 585187146 /nfs/dbraw/zinc/18/71/46/585187146.db2.gz AFTPTRAXVWOAIK-GHMZBOCLSA-N 0 0 238.302 3.661 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000748128171 585187308 /nfs/dbraw/zinc/18/73/08/585187308.db2.gz AFTPTRAXVWOAIK-MNOVXSKESA-N 0 0 238.302 3.661 20 0 BHADRN CCC[C@H](C)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000748128172 585187190 /nfs/dbraw/zinc/18/71/90/585187190.db2.gz AFTPTRAXVWOAIK-QWRGUYRKSA-N 0 0 238.302 3.661 20 0 BHADRN CCC[C@H](C)OC(=O)[C@H](C)c1cccc(F)c1 ZINC000748128173 585187217 /nfs/dbraw/zinc/18/72/17/585187217.db2.gz AFTPTRAXVWOAIK-WDEREUQCSA-N 0 0 238.302 3.661 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@H](C)c1ccsc1 ZINC000748129611 585187957 /nfs/dbraw/zinc/18/79/57/585187957.db2.gz HQHZPVWAYDLDTG-NXEZZACHSA-N 0 0 226.341 3.583 20 0 BHADRN CCC[C@H](C)OC(=O)[C@@H](C)c1ccsc1 ZINC000748129613 585187867 /nfs/dbraw/zinc/18/78/67/585187867.db2.gz HQHZPVWAYDLDTG-UWVGGRQHSA-N 0 0 226.341 3.583 20 0 BHADRN CCC[C@H](C)OC(=O)[C@H](C)c1ccsc1 ZINC000748129614 585187951 /nfs/dbraw/zinc/18/79/51/585187951.db2.gz HQHZPVWAYDLDTG-VHSXEESVSA-N 0 0 226.341 3.583 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@@H](C)c1ccsc1 ZINC000748129616 585187973 /nfs/dbraw/zinc/18/79/73/585187973.db2.gz HQHZPVWAYDLDTG-ZJUUUORDSA-N 0 0 226.341 3.583 20 0 BHADRN CCC[C@H](C)OC(=O)CCC(C)(C)C ZINC000748130889 585187944 /nfs/dbraw/zinc/18/79/44/585187944.db2.gz MXILCROCNHIBKP-JTQLQIEISA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@@H](C)OC(=O)CCC(C)(C)C ZINC000748130891 585187822 /nfs/dbraw/zinc/18/78/22/585187822.db2.gz MXILCROCNHIBKP-SNVBAGLBSA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@H](C)OC(=O)c1cccc2cc[nH]c21 ZINC000748131503 585187941 /nfs/dbraw/zinc/18/79/41/585187941.db2.gz DQSJYZNRRKFNGP-JTQLQIEISA-N 0 0 231.295 3.513 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cccc2cc[nH]c21 ZINC000748131506 585187879 /nfs/dbraw/zinc/18/78/79/585187879.db2.gz DQSJYZNRRKFNGP-SNVBAGLBSA-N 0 0 231.295 3.513 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cc2occc2s1 ZINC000748131925 585187904 /nfs/dbraw/zinc/18/79/04/585187904.db2.gz PPUCKKQISLZJQQ-MRVPVSSYSA-N 0 0 238.308 3.840 20 0 BHADRN CCC[C@H](C)OC(=O)c1cc2occc2s1 ZINC000748131927 585187826 /nfs/dbraw/zinc/18/78/26/585187826.db2.gz PPUCKKQISLZJQQ-QMMMGPOBSA-N 0 0 238.308 3.840 20 0 BHADRN CCC[C@H](C)OC(=O)CC(C)(C)CC ZINC000748133249 585187898 /nfs/dbraw/zinc/18/78/98/585187898.db2.gz KEAZLQUNKIQKTR-JTQLQIEISA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@@H](C)OC(=O)CC(C)(C)CC ZINC000748133250 585188009 /nfs/dbraw/zinc/18/80/09/585188009.db2.gz KEAZLQUNKIQKTR-SNVBAGLBSA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cccc(F)c1Cl ZINC000748134008 585187892 /nfs/dbraw/zinc/18/78/92/585187892.db2.gz MWCARVLVOIUDQO-MRVPVSSYSA-N 0 0 244.693 3.825 20 0 BHADRN CCC[C@H](C)OC(=O)c1cccc(F)c1Cl ZINC000748134009 585187834 /nfs/dbraw/zinc/18/78/34/585187834.db2.gz MWCARVLVOIUDQO-QMMMGPOBSA-N 0 0 244.693 3.825 20 0 BHADRN C[C@H](CCc1ccccc1)OC(=O)[C@H](C)C1CC1 ZINC000748139315 585188227 /nfs/dbraw/zinc/18/82/27/585188227.db2.gz HBRKSDQYXYIXCD-CHWSQXEVSA-N 0 0 246.350 3.597 20 0 BHADRN C[C@H](CCc1ccccc1)OC(=O)[C@@H](C)C1CC1 ZINC000748139318 585188117 /nfs/dbraw/zinc/18/81/17/585188117.db2.gz HBRKSDQYXYIXCD-OLZOCXBDSA-N 0 0 246.350 3.597 20 0 BHADRN C[C@@H](C(=O)O[C@@H](C)CCc1ccccc1)C1CC1 ZINC000748139320 585188103 /nfs/dbraw/zinc/18/81/03/585188103.db2.gz HBRKSDQYXYIXCD-QWHCGFSZSA-N 0 0 246.350 3.597 20 0 BHADRN C[C@@H](CCc1ccccc1)OC(=O)[C@@H](C)C1CC1 ZINC000748139321 585188065 /nfs/dbraw/zinc/18/80/65/585188065.db2.gz HBRKSDQYXYIXCD-STQMWFEESA-N 0 0 246.350 3.597 20 0 BHADRN CC[C@@H](OC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC000748146639 585188381 /nfs/dbraw/zinc/18/83/81/585188381.db2.gz ANZRQTWKWMKIBS-BXUZGUMPSA-N 0 0 232.323 3.727 20 0 BHADRN CC[C@H](OC(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC000748146640 585188266 /nfs/dbraw/zinc/18/82/66/585188266.db2.gz ANZRQTWKWMKIBS-FZMZJTMJSA-N 0 0 232.323 3.727 20 0 BHADRN CC[C@H](OC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC000748146643 585188424 /nfs/dbraw/zinc/18/84/24/585188424.db2.gz ANZRQTWKWMKIBS-RISCZKNCSA-N 0 0 232.323 3.727 20 0 BHADRN CC[C@@H](OC(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC000748146647 585188373 /nfs/dbraw/zinc/18/83/73/585188373.db2.gz ANZRQTWKWMKIBS-SMDDNHRTSA-N 0 0 232.323 3.727 20 0 BHADRN CCC(=O)[C@@H](C)OC(=O)CCCCCC(C)C ZINC000748152935 585188274 /nfs/dbraw/zinc/18/82/74/585188274.db2.gz MZHBIDKWIABCQC-GFCCVEGCSA-N 0 0 242.359 3.504 20 0 BHADRN CCC(=O)[C@H](C)OC(=O)CCCCCC(C)C ZINC000748152936 585188399 /nfs/dbraw/zinc/18/83/99/585188399.db2.gz MZHBIDKWIABCQC-LBPRGKRZSA-N 0 0 242.359 3.504 20 0 BHADRN CC(C)CCCCCC(=O)OCC(F)(F)F ZINC000748153527 585188410 /nfs/dbraw/zinc/18/84/10/585188410.db2.gz XBVLXAQJIVFSJZ-UHFFFAOYSA-N 0 0 240.265 3.698 20 0 BHADRN C/C(=C\C(=O)Nc1ccc(O)c(C)c1)C(C)(C)C ZINC000748220862 585189317 /nfs/dbraw/zinc/18/93/17/585189317.db2.gz FNUSBBUIVHEZMU-PKNBQFBNSA-N 0 0 247.338 3.632 20 0 BHADRN FC(F)COc1ccc(NC2CCCC2)cc1 ZINC000748239183 585189683 /nfs/dbraw/zinc/18/96/83/585189683.db2.gz PKWVNZKUCHLKFR-UHFFFAOYSA-N 0 0 241.281 3.685 20 0 BHADRN CC(C)(C)CNc1ccc(OCC(F)F)cc1 ZINC000748240521 585189655 /nfs/dbraw/zinc/18/96/55/585189655.db2.gz YFMFPKXIMCJINJ-UHFFFAOYSA-N 0 0 243.297 3.789 20 0 BHADRN CCCCCCC(=O)OC[C@@H](C)C(F)(F)F ZINC000748260138 585189934 /nfs/dbraw/zinc/18/99/34/585189934.db2.gz RIKUGCNHOYHQDJ-SECBINFHSA-N 0 0 240.265 3.698 20 0 BHADRN CCCCCCC(=O)OC[C@H](C)C(F)(F)F ZINC000748260139 585189852 /nfs/dbraw/zinc/18/98/52/585189852.db2.gz RIKUGCNHOYHQDJ-VIFPVBQESA-N 0 0 240.265 3.698 20 0 BHADRN CCC[C@@H](C)CC(=O)OC[C@H](C)C(F)(F)F ZINC000748270801 585190206 /nfs/dbraw/zinc/19/02/06/585190206.db2.gz ONXRFAGDDUUQDZ-BDAKNGLRSA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@H](C)CC(=O)OC[C@@H](C)C(F)(F)F ZINC000748270802 585190194 /nfs/dbraw/zinc/19/01/94/585190194.db2.gz ONXRFAGDDUUQDZ-DTWKUNHWSA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@H](C)CC(=O)OC[C@H](C)C(F)(F)F ZINC000748270804 585190193 /nfs/dbraw/zinc/19/01/93/585190193.db2.gz ONXRFAGDDUUQDZ-IUCAKERBSA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@@H](C)CC(=O)OC[C@@H](C)C(F)(F)F ZINC000748270805 585190083 /nfs/dbraw/zinc/19/00/83/585190083.db2.gz ONXRFAGDDUUQDZ-RKDXNWHRSA-N 0 0 240.265 3.554 20 0 BHADRN C[C@H](COC(=O)CCC(C)(C)C)C(F)(F)F ZINC000748290394 585190089 /nfs/dbraw/zinc/19/00/89/585190089.db2.gz MMQNGVIZLYFMJQ-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN C[C@@H](COC(=O)CCC(C)(C)C)C(F)(F)F ZINC000748290397 585190165 /nfs/dbraw/zinc/19/01/65/585190165.db2.gz MMQNGVIZLYFMJQ-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(C)(C)CC(=O)OC[C@@H](C)C(F)(F)F ZINC000748304008 585190428 /nfs/dbraw/zinc/19/04/28/585190428.db2.gz YMMAZYUWXWGONA-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(C)(C)CC(=O)OC[C@H](C)C(F)(F)F ZINC000748304076 585190376 /nfs/dbraw/zinc/19/03/76/585190376.db2.gz YMMAZYUWXWGONA-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(CC)CC(=O)OC[C@@H](C)C(F)(F)F ZINC000748307587 585190441 /nfs/dbraw/zinc/19/04/41/585190441.db2.gz ZLGVOGBATWZESM-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(CC)CC(=O)OC[C@H](C)C(F)(F)F ZINC000748307588 585190324 /nfs/dbraw/zinc/19/03/24/585190324.db2.gz ZLGVOGBATWZESM-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCCCCCC(=O)Nc1ncc(Cl)s1 ZINC000748342431 585190851 /nfs/dbraw/zinc/19/08/51/585190851.db2.gz NFFLMAABPAVEOO-UHFFFAOYSA-N 0 0 246.763 3.705 20 0 BHADRN CCCCOC(=O)CCCc1sccc1C ZINC000748428906 585192757 /nfs/dbraw/zinc/19/27/57/585192757.db2.gz FWGQPQGDFNYPEO-UHFFFAOYSA-N 0 0 240.368 3.723 20 0 BHADRN Cc1ccsc1CCCC(=O)OCC(C)C ZINC000748428988 585192691 /nfs/dbraw/zinc/19/26/91/585192691.db2.gz HBQDVANSUKNHPA-UHFFFAOYSA-N 0 0 240.368 3.578 20 0 BHADRN CC[C@@H](C)OC(=O)CCCc1sccc1C ZINC000748433371 585192750 /nfs/dbraw/zinc/19/27/50/585192750.db2.gz FMALNMATPFLJQG-LLVKDONJSA-N 0 0 240.368 3.721 20 0 BHADRN CC[C@H](C)OC(=O)CCCc1sccc1C ZINC000748433373 585192804 /nfs/dbraw/zinc/19/28/04/585192804.db2.gz FMALNMATPFLJQG-NSHDSACASA-N 0 0 240.368 3.721 20 0 BHADRN CCCCCCC(=O)N(CC)C[C@H](C)CC ZINC000748434671 585192969 /nfs/dbraw/zinc/19/29/69/585192969.db2.gz JPJBNTYPMSBLLI-CYBMUJFWSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCCCC(=O)N(CC)C[C@@H](C)CC ZINC000748434673 585192970 /nfs/dbraw/zinc/19/29/70/585192970.db2.gz JPJBNTYPMSBLLI-ZDUSSCGKSA-N 0 0 227.392 3.851 20 0 BHADRN CC(C)c1cnc(CNc2cccc(F)c2)o1 ZINC000748447786 585193002 /nfs/dbraw/zinc/19/30/02/585193002.db2.gz BDZZMKDKPNFPKC-UHFFFAOYSA-N 0 0 234.274 3.549 20 0 BHADRN Cc1ccccc1NCc1ncc(C(C)C)o1 ZINC000748447893 585193109 /nfs/dbraw/zinc/19/31/09/585193109.db2.gz CZLMFGYJJWUIQW-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN Cc1ccc(F)cc1NCc1ncc(C(C)C)o1 ZINC000748448521 585192947 /nfs/dbraw/zinc/19/29/47/585192947.db2.gz FJPILFBQSOEKLN-UHFFFAOYSA-N 0 0 248.301 3.858 20 0 BHADRN CC(C)c1cnc(CNc2ccccc2F)o1 ZINC000748449540 585193047 /nfs/dbraw/zinc/19/30/47/585193047.db2.gz OJTIBOMECJTYMI-UHFFFAOYSA-N 0 0 234.274 3.549 20 0 BHADRN CC(C)c1cnc(CNc2ccc(F)cc2)o1 ZINC000748450539 585193017 /nfs/dbraw/zinc/19/30/17/585193017.db2.gz USZBVZZQHLVQGE-UHFFFAOYSA-N 0 0 234.274 3.549 20 0 BHADRN Cc1ccc(NCc2ncc(C(C)C)o2)cc1F ZINC000748450852 585193009 /nfs/dbraw/zinc/19/30/09/585193009.db2.gz YVGHJXMQUAAPFQ-UHFFFAOYSA-N 0 0 248.301 3.858 20 0 BHADRN CCc1ccc(NCc2ncc(C(C)C)o2)cc1 ZINC000748451638 585193087 /nfs/dbraw/zinc/19/30/87/585193087.db2.gz AKOZDQHZUFHVRC-UHFFFAOYSA-N 0 0 244.338 3.973 20 0 BHADRN Cc1cccc(NCc2ncc(C(C)C)o2)c1 ZINC000748451835 585192949 /nfs/dbraw/zinc/19/29/49/585192949.db2.gz GNXJFIJPSDZDBL-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN CCc1ccccc1NCc1ncc(C(C)C)o1 ZINC000748452257 585193025 /nfs/dbraw/zinc/19/30/25/585193025.db2.gz KVBIBDQBBSLGIK-UHFFFAOYSA-N 0 0 244.338 3.973 20 0 BHADRN Cc1cc(F)ccc1NCc1ncc(C(C)C)o1 ZINC000748452948 585192977 /nfs/dbraw/zinc/19/29/77/585192977.db2.gz PFXPNZQQQRFFHJ-UHFFFAOYSA-N 0 0 248.301 3.858 20 0 BHADRN Cc1ccc(NCc2ncc(C(C)C)o2)c(F)c1 ZINC000748453369 585192965 /nfs/dbraw/zinc/19/29/65/585192965.db2.gz VUYSSNCIMMRJHR-UHFFFAOYSA-N 0 0 248.301 3.858 20 0 BHADRN CCCCOC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000748453439 585192963 /nfs/dbraw/zinc/19/29/63/585192963.db2.gz XNINYEBMOSNZIA-GHMZBOCLSA-N 0 0 238.352 3.503 20 0 BHADRN CCCCOC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000748453440 585192894 /nfs/dbraw/zinc/19/28/94/585192894.db2.gz XNINYEBMOSNZIA-MNOVXSKESA-N 0 0 238.352 3.503 20 0 BHADRN CCCCOC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000748453442 585193110 /nfs/dbraw/zinc/19/31/10/585193110.db2.gz XNINYEBMOSNZIA-QWRGUYRKSA-N 0 0 238.352 3.503 20 0 BHADRN CCCCOC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000748453444 585192886 /nfs/dbraw/zinc/19/28/86/585192886.db2.gz XNINYEBMOSNZIA-WDEREUQCSA-N 0 0 238.352 3.503 20 0 BHADRN CCC/C=C\C(=O)Nc1c(C)cccc1CC ZINC000748533464 585193646 /nfs/dbraw/zinc/19/36/46/585193646.db2.gz UYCFKMXHWWBBKT-XFFZJAGNSA-N 0 0 231.339 3.852 20 0 BHADRN CCC/C=C/C(=O)Nc1c(C)cccc1CC ZINC000748533467 585193743 /nfs/dbraw/zinc/19/37/43/585193743.db2.gz UYCFKMXHWWBBKT-YRNVUSSQSA-N 0 0 231.339 3.852 20 0 BHADRN CCC/C=C\C(=O)Nc1c(C)cccc1C ZINC000748553541 585194079 /nfs/dbraw/zinc/19/40/79/585194079.db2.gz ZNQJYCZPCFRBOM-POHAHGRESA-N 0 0 217.312 3.598 20 0 BHADRN CCC/C=C/C(=O)Nc1c(C)cccc1C ZINC000748553546 585194050 /nfs/dbraw/zinc/19/40/50/585194050.db2.gz ZNQJYCZPCFRBOM-UXBLZVDNSA-N 0 0 217.312 3.598 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)C=C1CCCCC1 ZINC000748566410 585193885 /nfs/dbraw/zinc/19/38/85/585193885.db2.gz CVVGHFPLXGYQTF-CYBMUJFWSA-N 0 0 237.387 3.772 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)C=C1CCCCC1 ZINC000748566411 585193897 /nfs/dbraw/zinc/19/38/97/585193897.db2.gz CVVGHFPLXGYQTF-ZDUSSCGKSA-N 0 0 237.387 3.772 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)/C=C/c1ccccc1 ZINC000748567111 585193994 /nfs/dbraw/zinc/19/39/94/585193994.db2.gz QTACNLMQWOVQCJ-GCZGRYASSA-N 0 0 245.366 3.594 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)/C=C/c1ccccc1 ZINC000748567112 585194195 /nfs/dbraw/zinc/19/41/95/585194195.db2.gz QTACNLMQWOVQCJ-GETOMWPZSA-N 0 0 245.366 3.594 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)/C=C\c1ccccc1 ZINC000748567113 585194133 /nfs/dbraw/zinc/19/41/33/585194133.db2.gz QTACNLMQWOVQCJ-NYHXXUGCSA-N 0 0 245.366 3.594 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)/C=C\c1ccccc1 ZINC000748567115 585194123 /nfs/dbraw/zinc/19/41/23/585194123.db2.gz QTACNLMQWOVQCJ-XMXAVACDSA-N 0 0 245.366 3.594 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)C=C(C1CC1)C1CC1 ZINC000748567637 585194298 /nfs/dbraw/zinc/19/42/98/585194298.db2.gz VGNLTTRVFXFNDT-GFCCVEGCSA-N 0 0 249.398 3.627 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)C=C(C1CC1)C1CC1 ZINC000748567639 585194185 /nfs/dbraw/zinc/19/41/85/585194185.db2.gz VGNLTTRVFXFNDT-LBPRGKRZSA-N 0 0 249.398 3.627 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)C[C@@H](C)CC ZINC000748568050 585194198 /nfs/dbraw/zinc/19/41/98/585194198.db2.gz YBLLKEUDPQAVCZ-CVCOIXHCSA-N 0 0 225.376 3.627 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)C[C@H](C)CC ZINC000748568051 585194193 /nfs/dbraw/zinc/19/41/93/585194193.db2.gz YBLLKEUDPQAVCZ-GMCKNXKJSA-N 0 0 225.376 3.627 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)C[C@@H](C)CC ZINC000748568052 585194212 /nfs/dbraw/zinc/19/42/12/585194212.db2.gz YBLLKEUDPQAVCZ-IXJPEXDMSA-N 0 0 225.376 3.627 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)C[C@H](C)CC ZINC000748568054 585193962 /nfs/dbraw/zinc/19/39/62/585193962.db2.gz YBLLKEUDPQAVCZ-YGYTWAPGSA-N 0 0 225.376 3.627 20 0 BHADRN CCC(CC)N(CC(C)C)C(=O)/C=C\C1CC1 ZINC000748572126 585194220 /nfs/dbraw/zinc/19/42/20/585194220.db2.gz DGXQSUGRUYNUAZ-KTKRTIGZSA-N 0 0 237.387 3.626 20 0 BHADRN CCC(CC)N(CC(C)C)C(=O)/C=C/C1CC1 ZINC000748572128 585194213 /nfs/dbraw/zinc/19/42/13/585194213.db2.gz DGXQSUGRUYNUAZ-MDZDMXLPSA-N 0 0 237.387 3.626 20 0 BHADRN C/C=C/C=C/C(=O)N(CC(C)C)C(CC)CC ZINC000748574518 585194154 /nfs/dbraw/zinc/19/41/54/585194154.db2.gz XLKHJWNKWBKLME-GOKBKIRCSA-N 0 0 237.387 3.792 20 0 BHADRN C/C=C/C=C\C(=O)N(CC(C)C)C(CC)CC ZINC000748574519 585194186 /nfs/dbraw/zinc/19/41/86/585194186.db2.gz XLKHJWNKWBKLME-RQDFUGDESA-N 0 0 237.387 3.792 20 0 BHADRN CCC[C@H](C)CC(=O)Oc1ccccc1F ZINC000748597079 585194323 /nfs/dbraw/zinc/19/43/23/585194323.db2.gz BZTVJZMHZIMFLB-JTQLQIEISA-N 0 0 224.275 3.557 20 0 BHADRN CCC[C@@H](C)CC(=O)Oc1ccccc1F ZINC000748597101 585194121 /nfs/dbraw/zinc/19/41/21/585194121.db2.gz BZTVJZMHZIMFLB-SNVBAGLBSA-N 0 0 224.275 3.557 20 0 BHADRN CCC[C@H](C)CC(=O)Oc1ccc(F)cc1 ZINC000748597244 585194450 /nfs/dbraw/zinc/19/44/50/585194450.db2.gz GXBLIVIIWSIWPB-JTQLQIEISA-N 0 0 224.275 3.557 20 0 BHADRN CCC[C@@H](C)CC(=O)Oc1ccc(F)cc1 ZINC000748597245 585194469 /nfs/dbraw/zinc/19/44/69/585194469.db2.gz GXBLIVIIWSIWPB-SNVBAGLBSA-N 0 0 224.275 3.557 20 0 BHADRN CCC[C@@H](C)CC(=O)Oc1cccc(C)c1 ZINC000748597730 585194355 /nfs/dbraw/zinc/19/43/55/585194355.db2.gz IRMXIYVVQZCMIA-LLVKDONJSA-N 0 0 220.312 3.727 20 0 BHADRN CCC[C@H](C)CC(=O)Oc1cccc(C)c1 ZINC000748597755 585194525 /nfs/dbraw/zinc/19/45/25/585194525.db2.gz IRMXIYVVQZCMIA-NSHDSACASA-N 0 0 220.312 3.727 20 0 BHADRN CCC[C@H](C)CC(=O)Oc1cccc(F)c1 ZINC000748598030 585194533 /nfs/dbraw/zinc/19/45/33/585194533.db2.gz NUZBPDIYYRKXBR-JTQLQIEISA-N 0 0 224.275 3.557 20 0 BHADRN CCC[C@@H](C)CC(=O)Oc1cccc(F)c1 ZINC000748598031 585194460 /nfs/dbraw/zinc/19/44/60/585194460.db2.gz NUZBPDIYYRKXBR-SNVBAGLBSA-N 0 0 224.275 3.557 20 0 BHADRN CCC[C@@H](C)CC(=O)Oc1ccccc1C ZINC000748598045 585194526 /nfs/dbraw/zinc/19/45/26/585194526.db2.gz OHMGKRJSRZMQKX-LLVKDONJSA-N 0 0 220.312 3.727 20 0 BHADRN CCC[C@H](C)CC(=O)Oc1ccccc1C ZINC000748598046 585194418 /nfs/dbraw/zinc/19/44/18/585194418.db2.gz OHMGKRJSRZMQKX-NSHDSACASA-N 0 0 220.312 3.727 20 0 BHADRN CCC[C@@H](C)CC(=O)OCc1ccc(F)cc1 ZINC000748602211 585194477 /nfs/dbraw/zinc/19/44/77/585194477.db2.gz ARGJPYTVYJILSP-LLVKDONJSA-N 0 0 238.302 3.695 20 0 BHADRN CCC[C@H](C)CC(=O)OCc1ccc(F)cc1 ZINC000748602216 585194376 /nfs/dbraw/zinc/19/43/76/585194376.db2.gz ARGJPYTVYJILSP-NSHDSACASA-N 0 0 238.302 3.695 20 0 BHADRN CCC[C@@H](C)CC(=O)OC[C@@H]1CC=CCC1 ZINC000748602460 585194421 /nfs/dbraw/zinc/19/44/21/585194421.db2.gz FDHSXJUBSIJLBY-CHWSQXEVSA-N 0 0 224.344 3.712 20 0 BHADRN CCC[C@@H](C)CC(=O)OC[C@H]1CC=CCC1 ZINC000748602461 585194427 /nfs/dbraw/zinc/19/44/27/585194427.db2.gz FDHSXJUBSIJLBY-OLZOCXBDSA-N 0 0 224.344 3.712 20 0 BHADRN CCC[C@H](C)CC(=O)OC[C@@H]1CC=CCC1 ZINC000748602463 585194373 /nfs/dbraw/zinc/19/43/73/585194373.db2.gz FDHSXJUBSIJLBY-QWHCGFSZSA-N 0 0 224.344 3.712 20 0 BHADRN CCC[C@H](C)CC(=O)OC[C@H]1CC=CCC1 ZINC000748602464 585194354 /nfs/dbraw/zinc/19/43/54/585194354.db2.gz FDHSXJUBSIJLBY-STQMWFEESA-N 0 0 224.344 3.712 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C[C@H](C)CCC ZINC000748603004 585194365 /nfs/dbraw/zinc/19/43/65/585194365.db2.gz XZODSZBVRHOKNN-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@H](C)CCC ZINC000748603007 585194468 /nfs/dbraw/zinc/19/44/68/585194468.db2.gz XZODSZBVRHOKNN-OLZOCXBDSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C[C@@H](C)CCC ZINC000748603011 585194360 /nfs/dbraw/zinc/19/43/60/585194360.db2.gz XZODSZBVRHOKNN-QWHCGFSZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@@H](C)CCC ZINC000748603012 585194337 /nfs/dbraw/zinc/19/43/37/585194337.db2.gz XZODSZBVRHOKNN-STQMWFEESA-N 0 0 227.392 3.898 20 0 BHADRN CCC[C@@H](C)CC(=O)OCc1ccccc1F ZINC000748603658 635955062 /nfs/dbraw/zinc/95/50/62/635955062.db2.gz RAFFUMXKPIDKGM-LLVKDONJSA-N 0 0 238.302 3.695 20 0 BHADRN CCC[C@H](C)CC(=O)OCc1ccccc1F ZINC000748603659 635954126 /nfs/dbraw/zinc/95/41/26/635954126.db2.gz RAFFUMXKPIDKGM-NSHDSACASA-N 0 0 238.302 3.695 20 0 BHADRN CCC[C@@H](C)CC(=O)OCc1ccccc1 ZINC000748603912 585194392 /nfs/dbraw/zinc/19/43/92/585194392.db2.gz UXRPGHSAYMWZHY-GFCCVEGCSA-N 0 0 220.312 3.556 20 0 BHADRN CCC[C@H](C)CC(=O)OCc1ccccc1 ZINC000748603913 585194371 /nfs/dbraw/zinc/19/43/71/585194371.db2.gz UXRPGHSAYMWZHY-LBPRGKRZSA-N 0 0 220.312 3.556 20 0 BHADRN CCCCCCNC(=O)C[C@H](C)CCC ZINC000748603915 585194455 /nfs/dbraw/zinc/19/44/55/585194455.db2.gz VCDQVPRAMCWTGA-GFCCVEGCSA-N 0 0 213.365 3.509 20 0 BHADRN CCCCCCNC(=O)C[C@@H](C)CCC ZINC000748603916 585194316 /nfs/dbraw/zinc/19/43/16/585194316.db2.gz VCDQVPRAMCWTGA-LBPRGKRZSA-N 0 0 213.365 3.509 20 0 BHADRN CCC[C@@H](C)CC(=O)Oc1cccc(C(C)=O)c1 ZINC000748608713 585194733 /nfs/dbraw/zinc/19/47/33/585194733.db2.gz ZYEOOCRZKAXFII-LLVKDONJSA-N 0 0 248.322 3.621 20 0 BHADRN CCC[C@H](C)CC(=O)Oc1cccc(C(C)=O)c1 ZINC000748608715 585194587 /nfs/dbraw/zinc/19/45/87/585194587.db2.gz ZYEOOCRZKAXFII-NSHDSACASA-N 0 0 248.322 3.621 20 0 BHADRN CCC[C@@H](C)CC(=O)Oc1c(F)cccc1F ZINC000748609766 585194563 /nfs/dbraw/zinc/19/45/63/585194563.db2.gz HKDLPCSOOXERLY-SECBINFHSA-N 0 0 242.265 3.697 20 0 BHADRN CCC[C@H](C)CC(=O)Oc1c(F)cccc1F ZINC000748609767 585194658 /nfs/dbraw/zinc/19/46/58/585194658.db2.gz HKDLPCSOOXERLY-VIFPVBQESA-N 0 0 242.265 3.697 20 0 BHADRN CCC[C@H](C)Sc1ncnc2ccccc21 ZINC000748613697 585194664 /nfs/dbraw/zinc/19/46/64/585194664.db2.gz UAKOZXRNBAHZJV-JTQLQIEISA-N 0 0 232.352 3.911 20 0 BHADRN CCC[C@@H](C)Sc1ncnc2ccccc21 ZINC000748613699 585194706 /nfs/dbraw/zinc/19/47/06/585194706.db2.gz UAKOZXRNBAHZJV-SNVBAGLBSA-N 0 0 232.352 3.911 20 0 BHADRN CCCCCCNC(=O)N(CC)C[C@H](C)CC ZINC000748614091 585194585 /nfs/dbraw/zinc/19/45/85/585194585.db2.gz VALBJLJEGBFZPI-CYBMUJFWSA-N 0 0 242.407 3.644 20 0 BHADRN CCCCCCNC(=O)N(CC)C[C@@H](C)CC ZINC000748614092 585194640 /nfs/dbraw/zinc/19/46/40/585194640.db2.gz VALBJLJEGBFZPI-ZDUSSCGKSA-N 0 0 242.407 3.644 20 0 BHADRN CC(C)CCC(=O)N(C)C1CCCCCCC1 ZINC000748642069 585194593 /nfs/dbraw/zinc/19/45/93/585194593.db2.gz CZXPXOMHJXSMJO-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN Cc1occc1C(=O)N(C)C1CCCCCCC1 ZINC000748642366 585194737 /nfs/dbraw/zinc/19/47/37/585194737.db2.gz SZHKQKYCKVNLQV-UHFFFAOYSA-N 0 0 249.354 3.773 20 0 BHADRN CN(C(=O)[C@H]1CC=CCC1)C1CCCCCCC1 ZINC000748642751 585194610 /nfs/dbraw/zinc/19/46/10/585194610.db2.gz JTIFAIQNWQTKAY-AWEZNQCLSA-N 0 0 249.398 3.914 20 0 BHADRN CN(C(=O)[C@@H]1CC=CCC1)C1CCCCCCC1 ZINC000748642752 585194719 /nfs/dbraw/zinc/19/47/19/585194719.db2.gz JTIFAIQNWQTKAY-CQSZACIVSA-N 0 0 249.398 3.914 20 0 BHADRN CN(C(=O)CC(C)(C)C)C1CCCCCCC1 ZINC000748642950 585194694 /nfs/dbraw/zinc/19/46/94/585194694.db2.gz MYBPUXZLLCRNDI-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@@H](C)C(=O)N(C)C1CCCCCCC1 ZINC000748642964 585194724 /nfs/dbraw/zinc/19/47/24/585194724.db2.gz NGIKLTNRBZJOMC-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCC[C@H](C)C(=O)N(C)C1CCCCCCC1 ZINC000748642967 585194734 /nfs/dbraw/zinc/19/47/34/585194734.db2.gz NGIKLTNRBZJOMC-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCC(CC)C(=O)N(C)C1CCCCCCC1 ZINC000748643469 585194602 /nfs/dbraw/zinc/19/46/02/585194602.db2.gz UDTADFPXWXIXJW-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CC/C=C(\C)C(=O)N(C)C1CCCCCCC1 ZINC000748644145 585194630 /nfs/dbraw/zinc/19/46/30/585194630.db2.gz SPMNQWUHWUGPEZ-JLHYYAGUSA-N 0 0 237.387 3.914 20 0 BHADRN CC/C=C(/C)C(=O)N(C)C1CCCCCCC1 ZINC000748644146 585194567 /nfs/dbraw/zinc/19/45/67/585194567.db2.gz SPMNQWUHWUGPEZ-RAXLEYEMSA-N 0 0 237.387 3.914 20 0 BHADRN C/C=C/C=C\C(=O)N(C)C1CCCCCCC1 ZINC000748644564 585194708 /nfs/dbraw/zinc/19/47/08/585194708.db2.gz VYPVAZLNWARMJW-ASIDLTKZSA-N 0 0 235.371 3.690 20 0 BHADRN C/C(=C\C(=O)N(C)C1CCCCCCC1)C1CC1 ZINC000748645182 585194552 /nfs/dbraw/zinc/19/45/52/585194552.db2.gz PAAHXEPYXZGNDQ-OUKQBFOZSA-N 0 0 249.398 3.914 20 0 BHADRN C/C(=C/C(=O)N(C)C1CCCCCCC1)C1CC1 ZINC000748645183 585194584 /nfs/dbraw/zinc/19/45/84/585194584.db2.gz PAAHXEPYXZGNDQ-SEYXRHQNSA-N 0 0 249.398 3.914 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000748721266 585195149 /nfs/dbraw/zinc/19/51/49/585195149.db2.gz HSVCBYYKLZKOKH-ACMJRCFVSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000748721267 585194976 /nfs/dbraw/zinc/19/49/76/585194976.db2.gz HSVCBYYKLZKOKH-CUOXCHRPSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000748721268 585194989 /nfs/dbraw/zinc/19/49/89/585194989.db2.gz HSVCBYYKLZKOKH-HGIZFUKPSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000748721269 585195157 /nfs/dbraw/zinc/19/51/57/585195157.db2.gz HSVCBYYKLZKOKH-PGJRDNSLSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)C1CC1 ZINC000748723867 585195104 /nfs/dbraw/zinc/19/51/04/585195104.db2.gz XYMCZRLWNOYTKK-CSJUJBHWSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)C1CC1 ZINC000748723868 585195170 /nfs/dbraw/zinc/19/51/70/585195170.db2.gz XYMCZRLWNOYTKK-KVLWQBRYSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)C1CC1 ZINC000748723869 585195111 /nfs/dbraw/zinc/19/51/11/585195111.db2.gz XYMCZRLWNOYTKK-RHDOYOBMSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)C1CC1 ZINC000748723870 585195080 /nfs/dbraw/zinc/19/50/80/585195080.db2.gz XYMCZRLWNOYTKK-SRHJZDPESA-N 0 0 249.398 3.674 20 0 BHADRN Cc1c[nH]cc1C(=O)N(C)C1CCCCCCC1 ZINC000748748988 585194960 /nfs/dbraw/zinc/19/49/60/585194960.db2.gz DUOWWCFRBOLYKK-UHFFFAOYSA-N 0 0 248.370 3.508 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)C[C@H](C)C1CC1 ZINC000748758931 585195424 /nfs/dbraw/zinc/19/54/24/585195424.db2.gz ASDRVYXWSYTJPN-GXTWGEPZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C[C@H](C)C1CC1 ZINC000748758933 585195403 /nfs/dbraw/zinc/19/54/03/585195403.db2.gz ASDRVYXWSYTJPN-JSGCOSHPSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C[C@@H](C)C1CC1 ZINC000748758935 585195303 /nfs/dbraw/zinc/19/53/03/585195303.db2.gz ASDRVYXWSYTJPN-OCCSQVGLSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)C[C@@H](C)C1CC1 ZINC000748758937 585195337 /nfs/dbraw/zinc/19/53/37/585195337.db2.gz ASDRVYXWSYTJPN-TZMCWYRMSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C=C1CCCC1 ZINC000748759209 585195427 /nfs/dbraw/zinc/19/54/27/585195427.db2.gz DMKZMQBFUJWPET-AWEZNQCLSA-N 0 0 237.387 3.962 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)C=C1CCCC1 ZINC000748759211 585195320 /nfs/dbraw/zinc/19/53/20/585195320.db2.gz DMKZMQBFUJWPET-CQSZACIVSA-N 0 0 237.387 3.962 20 0 BHADRN CCC/C=C/C(=O)N[C@H](CCC)CCCC ZINC000748759225 585195206 /nfs/dbraw/zinc/19/52/06/585195206.db2.gz DNRXDLNTMLOTPB-CNELAYHGSA-N 0 0 225.376 3.818 20 0 BHADRN CCC/C=C\C(=O)N[C@H](CCC)CCCC ZINC000748759227 585195363 /nfs/dbraw/zinc/19/53/63/585195363.db2.gz DNRXDLNTMLOTPB-KIWPFMIBSA-N 0 0 225.376 3.818 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](CCC)CCCC ZINC000748759229 585195364 /nfs/dbraw/zinc/19/53/64/585195364.db2.gz DNRXDLNTMLOTPB-SRXBQZRASA-N 0 0 225.376 3.818 20 0 BHADRN CCC/C=C\C(=O)N[C@@H](CCC)CCCC ZINC000748759232 585195419 /nfs/dbraw/zinc/19/54/19/585195419.db2.gz DNRXDLNTMLOTPB-SUIFULHWSA-N 0 0 225.376 3.818 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)/C=C(\C)C1CC1 ZINC000748761076 585195305 /nfs/dbraw/zinc/19/53/05/585195305.db2.gz OXCSSQXXHZXOIV-GCZGRYASSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC[C@H](CCC)NC(=O)/C=C(\C)C1CC1 ZINC000748761077 585195208 /nfs/dbraw/zinc/19/52/08/585195208.db2.gz OXCSSQXXHZXOIV-GETOMWPZSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC[C@H](CCC)NC(=O)/C=C(/C)C1CC1 ZINC000748761078 585195228 /nfs/dbraw/zinc/19/52/28/585195228.db2.gz OXCSSQXXHZXOIV-NYHXXUGCSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)/C=C(/C)C1CC1 ZINC000748761079 585195402 /nfs/dbraw/zinc/19/54/02/585195402.db2.gz OXCSSQXXHZXOIV-XMXAVACDSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](CCC)CCCC ZINC000748761822 585195362 /nfs/dbraw/zinc/19/53/62/585195362.db2.gz UVDYMRMYIYZGKL-CNBSDODISA-N 0 0 223.360 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H](CCC)CCCC ZINC000748761823 585195137 /nfs/dbraw/zinc/19/51/37/585195137.db2.gz UVDYMRMYIYZGKL-KHJXUOHYSA-N 0 0 223.360 3.594 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](CCC)CCCC ZINC000748761824 585195067 /nfs/dbraw/zinc/19/50/67/585195067.db2.gz UVDYMRMYIYZGKL-KTNAFUCRSA-N 0 0 223.360 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@H](CCC)CCCC ZINC000748761825 585195052 /nfs/dbraw/zinc/19/50/52/585195052.db2.gz UVDYMRMYIYZGKL-QSHAECKASA-N 0 0 223.360 3.594 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)/C=C\c1ccco1 ZINC000748761862 585195386 /nfs/dbraw/zinc/19/53/86/585195386.db2.gz DWMIHZNYJLABCJ-BSYHEUMXSA-N 0 0 249.354 3.768 20 0 BHADRN CCCC[C@H](CCC)NC(=O)/C=C/c1ccco1 ZINC000748761863 585195349 /nfs/dbraw/zinc/19/53/49/585195349.db2.gz DWMIHZNYJLABCJ-NHAQELONSA-N 0 0 249.354 3.768 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)/C=C/c1ccco1 ZINC000748761865 585195302 /nfs/dbraw/zinc/19/53/02/585195302.db2.gz DWMIHZNYJLABCJ-OCHBPSSRSA-N 0 0 249.354 3.768 20 0 BHADRN CCCC[C@H](CCC)NC(=O)/C=C\c1ccco1 ZINC000748761868 585195244 /nfs/dbraw/zinc/19/52/44/585195244.db2.gz DWMIHZNYJLABCJ-OEYXZAGESA-N 0 0 249.354 3.768 20 0 BHADRN CC/C=C(\C)C(=O)N[C@H](CCC)CCCC ZINC000748762252 585195331 /nfs/dbraw/zinc/19/53/31/585195331.db2.gz GGVXLPGIEAOTMR-CNELAYHGSA-N 0 0 225.376 3.818 20 0 BHADRN CC/C=C(/C)C(=O)N[C@H](CCC)CCCC ZINC000748762253 585195193 /nfs/dbraw/zinc/19/51/93/585195193.db2.gz GGVXLPGIEAOTMR-KIWPFMIBSA-N 0 0 225.376 3.818 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H](CCC)CCCC ZINC000748762254 585195212 /nfs/dbraw/zinc/19/52/12/585195212.db2.gz GGVXLPGIEAOTMR-SRXBQZRASA-N 0 0 225.376 3.818 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H](CCC)CCCC ZINC000748762255 585195354 /nfs/dbraw/zinc/19/53/54/585195354.db2.gz GGVXLPGIEAOTMR-SUIFULHWSA-N 0 0 225.376 3.818 20 0 BHADRN CCCCCCC(=O)N1CCC[C@H]1CC(C)C ZINC000748765159 585195198 /nfs/dbraw/zinc/19/51/98/585195198.db2.gz XJZITKTYYKSCQK-AWEZNQCLSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCCC(=O)N1CCC[C@@H]1CC(C)C ZINC000748765160 585195299 /nfs/dbraw/zinc/19/52/99/585195299.db2.gz XJZITKTYYKSCQK-CQSZACIVSA-N 0 0 239.403 3.994 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCC[C@H]1CC(C)C ZINC000748766774 585195408 /nfs/dbraw/zinc/19/54/08/585195408.db2.gz MFNJKCDUDCMOEW-CMPYXILNSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCC[C@H]1CC(C)C ZINC000748766779 585195404 /nfs/dbraw/zinc/19/54/04/585195404.db2.gz MFNJKCDUDCMOEW-FZDNWWAKSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCC[C@@H]1CC(C)C ZINC000748766783 585195292 /nfs/dbraw/zinc/19/52/92/585195292.db2.gz MFNJKCDUDCMOEW-YBEMTRGBSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCC[C@@H]1CC(C)C ZINC000748766785 585195339 /nfs/dbraw/zinc/19/53/39/585195339.db2.gz MFNJKCDUDCMOEW-YPDDLIOESA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)C[C@@H]1CCCN1C(=O)C=C1CCCC1 ZINC000748767440 585195420 /nfs/dbraw/zinc/19/54/20/585195420.db2.gz NBPYSXYEHLJVPU-AWEZNQCLSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)C[C@H]1CCCN1C(=O)C=C1CCCC1 ZINC000748767441 585195377 /nfs/dbraw/zinc/19/53/77/585195377.db2.gz NBPYSXYEHLJVPU-CQSZACIVSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)C[C@@H]1CCCN1C(=O)C=C1CCCCC1 ZINC000748767469 585195252 /nfs/dbraw/zinc/19/52/52/585195252.db2.gz NMZRFOUUNBQMGW-HNNXBMFYSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)C[C@H]1CCCN1C(=O)C=C1CCCCC1 ZINC000748767471 585195246 /nfs/dbraw/zinc/19/52/46/585195246.db2.gz NMZRFOUUNBQMGW-OAHLLOKOSA-N 0 0 249.398 3.914 20 0 BHADRN Fc1ccc(SCc2cscn2)cc1 ZINC000748820490 585196913 /nfs/dbraw/zinc/19/69/13/585196913.db2.gz NCRDQIHOFJMKKA-UHFFFAOYSA-N 0 0 225.313 3.575 20 0 BHADRN CCCOC(=O)c1ccc(Oc2ccccc2)o1 ZINC000748908155 585197495 /nfs/dbraw/zinc/19/74/95/585197495.db2.gz VXTFVYMBVBKNRT-UHFFFAOYSA-N 0 0 246.262 3.639 20 0 BHADRN CCCCOC(=O)c1cnc2ccccc2c1C ZINC000748923354 585197481 /nfs/dbraw/zinc/19/74/81/585197481.db2.gz VVRGONACNBOWIB-UHFFFAOYSA-N 0 0 243.306 3.500 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cc(C)c(F)cc1F ZINC000748927228 585197417 /nfs/dbraw/zinc/19/74/17/585197417.db2.gz NXCLECHIFZURIM-SECBINFHSA-N 0 0 242.265 3.619 20 0 BHADRN CCC[C@H](C)OC(=O)c1cc(C)c(F)cc1F ZINC000748927230 585197520 /nfs/dbraw/zinc/19/75/20/585197520.db2.gz NXCLECHIFZURIM-VIFPVBQESA-N 0 0 242.265 3.619 20 0 BHADRN CCC[C@@H](C)CC(=O)OCc1ccccc1C ZINC000748956061 585197568 /nfs/dbraw/zinc/19/75/68/585197568.db2.gz CHHWNYWNPSGBDC-GFCCVEGCSA-N 0 0 234.339 3.865 20 0 BHADRN CCC[C@H](C)CC(=O)OCc1ccccc1C ZINC000748956069 585197725 /nfs/dbraw/zinc/19/77/25/585197725.db2.gz CHHWNYWNPSGBDC-LBPRGKRZSA-N 0 0 234.339 3.865 20 0 BHADRN CCC[C@@H](C)CC(=O)OCc1cccc(C)c1 ZINC000748957297 585197743 /nfs/dbraw/zinc/19/77/43/585197743.db2.gz CKAVSPAIHYXOLW-GFCCVEGCSA-N 0 0 234.339 3.865 20 0 BHADRN CCC[C@H](C)CC(=O)OCc1cccc(C)c1 ZINC000748957298 585197628 /nfs/dbraw/zinc/19/76/28/585197628.db2.gz CKAVSPAIHYXOLW-LBPRGKRZSA-N 0 0 234.339 3.865 20 0 BHADRN CCC[C@@H](C)CC(=O)OCC1CCCC1 ZINC000748957524 585197728 /nfs/dbraw/zinc/19/77/28/585197728.db2.gz KMJPTWSGYGNVGJ-LLVKDONJSA-N 0 0 212.333 3.546 20 0 BHADRN CCC[C@H](C)CC(=O)OCC1CCCC1 ZINC000748957531 585197733 /nfs/dbraw/zinc/19/77/33/585197733.db2.gz KMJPTWSGYGNVGJ-NSHDSACASA-N 0 0 212.333 3.546 20 0 BHADRN CCC[C@@H](C)CC(=O)OCc1ccc(C)cc1 ZINC000748959439 585197911 /nfs/dbraw/zinc/19/79/11/585197911.db2.gz MEKWEDJORPQRQI-CYBMUJFWSA-N 0 0 234.339 3.865 20 0 BHADRN CCC[C@H](C)CC(=O)OCc1ccc(C)cc1 ZINC000748959440 585197814 /nfs/dbraw/zinc/19/78/14/585197814.db2.gz MEKWEDJORPQRQI-ZDUSSCGKSA-N 0 0 234.339 3.865 20 0 BHADRN CCC[C@@H](C)CC(=O)OCCc1ccccc1 ZINC000748961678 585197949 /nfs/dbraw/zinc/19/79/49/585197949.db2.gz WKPKACHCQGBLFW-CYBMUJFWSA-N 0 0 234.339 3.599 20 0 BHADRN CCC[C@H](C)CC(=O)OCCc1ccccc1 ZINC000748961680 585197755 /nfs/dbraw/zinc/19/77/55/585197755.db2.gz WKPKACHCQGBLFW-ZDUSSCGKSA-N 0 0 234.339 3.599 20 0 BHADRN CCCCCOC(=O)C[C@H](C)CCC ZINC000748961708 585197753 /nfs/dbraw/zinc/19/77/53/585197753.db2.gz WRWIBXOGQVYUEA-LLVKDONJSA-N 0 0 200.322 3.546 20 0 BHADRN CCCCCOC(=O)C[C@@H](C)CCC ZINC000748961709 585197858 /nfs/dbraw/zinc/19/78/58/585197858.db2.gz WRWIBXOGQVYUEA-NSHDSACASA-N 0 0 200.322 3.546 20 0 BHADRN CCCC[C@@H](CCC)NC(=S)NC(C)(C)C ZINC000749012807 585198341 /nfs/dbraw/zinc/19/83/41/585198341.db2.gz KVKSXBUXPODTSR-LLVKDONJSA-N 0 0 244.448 3.608 20 0 BHADRN CCCC[C@H](CCC)NC(=S)NC(C)(C)C ZINC000749012811 585198234 /nfs/dbraw/zinc/19/82/34/585198234.db2.gz KVKSXBUXPODTSR-NSHDSACASA-N 0 0 244.448 3.608 20 0 BHADRN Cc1cscc1NC(=O)C(F)=C1CCCC1 ZINC000749018868 585198397 /nfs/dbraw/zinc/19/83/97/585198397.db2.gz CSVCSFDHRLVOCS-UHFFFAOYSA-N 0 0 239.315 3.793 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cscc1C ZINC000749019414 585198265 /nfs/dbraw/zinc/19/82/65/585198265.db2.gz NHONTNYSKVMJLU-RMKNXTFCSA-N 0 0 223.341 3.741 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cscc1C ZINC000749019415 585198256 /nfs/dbraw/zinc/19/82/56/585198256.db2.gz NHONTNYSKVMJLU-TWGQIWQCSA-N 0 0 223.341 3.741 20 0 BHADRN CCCCSCC(=O)Nc1cscc1C ZINC000749019770 585198358 /nfs/dbraw/zinc/19/83/58/585198358.db2.gz UEIXPRINSYOOIR-UHFFFAOYSA-N 0 0 243.397 3.528 20 0 BHADRN C/C(=C\C(=O)Nc1cscc1C)C(C)(C)C ZINC000749019780 585198312 /nfs/dbraw/zinc/19/83/12/585198312.db2.gz UVLYWSWQMAYHJC-UXBLZVDNSA-N 0 0 237.368 3.987 20 0 BHADRN Cc1ccc([C@H](C)C(=O)Nc2cscc2C)o1 ZINC000749019880 585198216 /nfs/dbraw/zinc/19/82/16/585198216.db2.gz YHHFLXMQGSNPEY-JTQLQIEISA-N 0 0 249.335 3.700 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)Nc2cscc2C)o1 ZINC000749019881 585198192 /nfs/dbraw/zinc/19/81/92/585198192.db2.gz YHHFLXMQGSNPEY-SNVBAGLBSA-N 0 0 249.335 3.700 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@H](C)C1CC1 ZINC000749030751 585198563 /nfs/dbraw/zinc/19/85/63/585198563.db2.gz ZAZZFTUKXNOIHV-NEPJUHHUSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@@H](C)C1CC1 ZINC000749030752 585198578 /nfs/dbraw/zinc/19/85/78/585198578.db2.gz 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CCC[C@@H](C)CC(=O)OCCc1cccs1 ZINC000749055993 585199142 /nfs/dbraw/zinc/19/91/42/585199142.db2.gz MMQWSYKQLSGZDQ-LLVKDONJSA-N 0 0 240.368 3.660 20 0 BHADRN CCC[C@H](C)CC(=O)OCCc1cccs1 ZINC000749055994 585199117 /nfs/dbraw/zinc/19/91/17/585199117.db2.gz MMQWSYKQLSGZDQ-NSHDSACASA-N 0 0 240.368 3.660 20 0 BHADRN CSCCN(c1ccc(C)cc1)C(C)C ZINC000749071979 585199209 /nfs/dbraw/zinc/19/92/09/585199209.db2.gz DPGXWXKNWPYZKK-UHFFFAOYSA-N 0 0 223.385 3.573 20 0 BHADRN Cc1ccc(N(Cc2cscn2)C(C)C)cc1 ZINC000749072384 585199045 /nfs/dbraw/zinc/19/90/45/585199045.db2.gz HWMBKNNKVIQKOD-UHFFFAOYSA-N 0 0 246.379 3.867 20 0 BHADRN Cc1ccc(N(Cc2cccnc2)C(C)C)cc1 ZINC000749072436 585199034 /nfs/dbraw/zinc/19/90/34/585199034.db2.gz ICQVYVUCMNLEGN-UHFFFAOYSA-N 0 0 240.350 3.805 20 0 BHADRN CC(F)(F)CCC(=O)OCC1C(C)(C)C1(C)C ZINC000749088913 585199350 /nfs/dbraw/zinc/19/93/50/585199350.db2.gz LRDKRSKWUIWARW-UHFFFAOYSA-N 0 0 248.313 3.647 20 0 BHADRN CC(=O)CSCc1ccc(CC(C)C)cc1 ZINC000749091083 585199329 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CC(C)(C)c1nccc(SCc2ccco2)n1 ZINC000749257376 585200842 /nfs/dbraw/zinc/20/08/42/585200842.db2.gz IFISYNYHWRKSFT-UHFFFAOYSA-N 0 0 248.351 3.659 20 0 BHADRN Fc1ccccc1SCc1cscn1 ZINC000749265947 585200875 /nfs/dbraw/zinc/20/08/75/585200875.db2.gz PRAYXVCLWLHFIQ-UHFFFAOYSA-N 0 0 225.313 3.575 20 0 BHADRN CCCCCCNc1ccccc1N(C)C(C)=O ZINC000749273916 644591237 /nfs/dbraw/zinc/59/12/37/644591237.db2.gz KFXLPFQDNJUQBC-UHFFFAOYSA-N 0 0 248.370 3.662 20 0 BHADRN CCCCCNc1ccc(OCC(F)F)cc1 ZINC000749278459 644590979 /nfs/dbraw/zinc/59/09/79/644590979.db2.gz IJBLDOCKXZTDKC-UHFFFAOYSA-N 0 0 243.297 3.933 20 0 BHADRN CC(C)CCNc1ccc(OCC(F)F)cc1 ZINC000749279611 644591205 /nfs/dbraw/zinc/59/12/05/644591205.db2.gz VUZLSDMWDHDOOH-UHFFFAOYSA-N 0 0 243.297 3.789 20 0 BHADRN Cc1ccccc1N(Cc1cscn1)C(C)C ZINC000749289208 585201041 /nfs/dbraw/zinc/20/10/41/585201041.db2.gz KOMPEQBOAUSOHA-UHFFFAOYSA-N 0 0 246.379 3.867 20 0 BHADRN Cc1ccc(OC(=O)CCC2CCC2)cc1C ZINC000749308075 585201113 /nfs/dbraw/zinc/20/11/13/585201113.db2.gz ICEDGTRNIAGLJU-UHFFFAOYSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1ccc(C(=O)Oc2ccccc2C)c(F)c1 ZINC000749308729 585201054 /nfs/dbraw/zinc/20/10/54/585201054.db2.gz BSAMYIUENDRJCL-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN O=C(CCC1CCC1)NC1CCCCCCC1 ZINC000749308853 585201100 /nfs/dbraw/zinc/20/11/00/585201100.db2.gz PNNYHGNLKGXJFK-UHFFFAOYSA-N 0 0 237.387 3.796 20 0 BHADRN Cc1cscc1C(=O)Oc1ccccc1C ZINC000749308979 585201059 /nfs/dbraw/zinc/20/10/59/585201059.db2.gz HJUQIPVIRKMIKP-UHFFFAOYSA-N 0 0 232.304 3.584 20 0 BHADRN Cc1cscc1C(=O)Oc1ccc(C)cc1 ZINC000749309025 585201149 /nfs/dbraw/zinc/20/11/49/585201149.db2.gz ITIAUFBZRBHYMQ-UHFFFAOYSA-N 0 0 232.304 3.584 20 0 BHADRN Cc1ccc(C(=O)OC[C@@H]2CC=CCC2)c(F)c1 ZINC000749309042 585201026 /nfs/dbraw/zinc/20/10/26/585201026.db2.gz JMMQHHQWWVPPIP-GFCCVEGCSA-N 0 0 248.297 3.647 20 0 BHADRN Cc1ccc(C(=O)OC[C@H]2CC=CCC2)c(F)c1 ZINC000749309046 644590988 /nfs/dbraw/zinc/59/09/88/644590988.db2.gz JMMQHHQWWVPPIP-LBPRGKRZSA-N 0 0 248.297 3.647 20 0 BHADRN Cc1cscc1C(=O)Oc1cccc(C)c1 ZINC000749309152 585201056 /nfs/dbraw/zinc/20/10/56/585201056.db2.gz MBZVFHQFRNHACI-UHFFFAOYSA-N 0 0 232.304 3.584 20 0 BHADRN Cc1cscc1C(=O)OC[C@@H]1CC=CCC1 ZINC000749309161 585201111 /nfs/dbraw/zinc/20/11/11/585201111.db2.gz MGKZPIRNPHATFR-LLVKDONJSA-N 0 0 236.336 3.570 20 0 BHADRN Cc1cscc1C(=O)OC[C@H]1CC=CCC1 ZINC000749309164 585201084 /nfs/dbraw/zinc/20/10/84/585201084.db2.gz MGKZPIRNPHATFR-NSHDSACASA-N 0 0 236.336 3.570 20 0 BHADRN O=C(CCC1CCC1)Oc1ccc(Cl)cc1 ZINC000749309252 585200998 /nfs/dbraw/zinc/20/09/98/585200998.db2.gz OFBWMROXGHYVKR-UHFFFAOYSA-N 0 0 238.714 3.826 20 0 BHADRN O=C(CCC1CCC1)Oc1cccc(Cl)c1 ZINC000749309429 585201187 /nfs/dbraw/zinc/20/11/87/585201187.db2.gz PRKZIJIYBYZLKG-UHFFFAOYSA-N 0 0 238.714 3.826 20 0 BHADRN O=C(CCC1CCC1)Oc1ccccc1Cl ZINC000749309488 585201167 /nfs/dbraw/zinc/20/11/67/585201167.db2.gz RSAFBDNWCPGLKV-UHFFFAOYSA-N 0 0 238.714 3.826 20 0 BHADRN Cc1cccc(OC(=O)c2ccc(C)cc2F)c1 ZINC000749309505 585201217 /nfs/dbraw/zinc/20/12/17/585201217.db2.gz UDYZRCYKELRRJX-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN Cc1cscc1C(=O)OC1CCCCC1 ZINC000749309726 585201031 /nfs/dbraw/zinc/20/10/31/585201031.db2.gz ZEGODNSJYAANJF-UHFFFAOYSA-N 0 0 224.325 3.546 20 0 BHADRN CCOc1ccc(OC(=O)CCC2CCC2)cc1 ZINC000749310647 585201214 /nfs/dbraw/zinc/20/12/14/585201214.db2.gz LRHINQKYDVGFDR-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN Cc1cccc(OC(=O)CCC2CCC2)c1C ZINC000749311756 585201096 /nfs/dbraw/zinc/20/10/96/585201096.db2.gz XLZNBYMAVXARBS-UHFFFAOYSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1cc(C)c(C(=O)O[C@H](C)c2ccccc2)o1 ZINC000749317155 585200992 /nfs/dbraw/zinc/20/09/92/585200992.db2.gz FTTMMJMPVOGWAU-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cc(C)c(C(=O)O[C@@H](C)c2ccccc2)o1 ZINC000749317163 585201229 /nfs/dbraw/zinc/20/12/29/585201229.db2.gz FTTMMJMPVOGWAU-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cscc1C(=O)O[C@H](C)c1ccccc1 ZINC000749317875 585201477 /nfs/dbraw/zinc/20/14/77/585201477.db2.gz LFDMPHNKIUCNCJ-LLVKDONJSA-N 0 0 246.331 3.975 20 0 BHADRN Cc1cscc1C(=O)O[C@@H](C)c1ccccc1 ZINC000749317877 585201253 /nfs/dbraw/zinc/20/12/53/585201253.db2.gz LFDMPHNKIUCNCJ-NSHDSACASA-N 0 0 246.331 3.975 20 0 BHADRN C[C@@H](OC(=O)CCC1CCC1)c1ccccc1 ZINC000749318019 585201396 /nfs/dbraw/zinc/20/13/96/585201396.db2.gz MKMXLBMDJZJEJF-GFCCVEGCSA-N 0 0 232.323 3.871 20 0 BHADRN C[C@H](OC(=O)CCC1CCC1)c1ccccc1 ZINC000749318020 585201392 /nfs/dbraw/zinc/20/13/92/585201392.db2.gz MKMXLBMDJZJEJF-LBPRGKRZSA-N 0 0 232.323 3.871 20 0 BHADRN CCN(C(=O)CCC1CCC1)c1ccc(C)cc1 ZINC000749319226 585201377 /nfs/dbraw/zinc/20/13/77/585201377.db2.gz KJHQQKLGHURBMG-UHFFFAOYSA-N 0 0 245.366 3.928 20 0 BHADRN Cc1ccc(N(C)C(=O)CCC2CCC2)cc1C ZINC000749323029 585201236 /nfs/dbraw/zinc/20/12/36/585201236.db2.gz KIJYMYAHCZLAID-UHFFFAOYSA-N 0 0 245.366 3.847 20 0 BHADRN CCCCCNC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000749323873 585201351 /nfs/dbraw/zinc/20/13/51/585201351.db2.gz VCONAABGSRVYKS-QXMHVHEDSA-N 0 0 249.329 3.535 20 0 BHADRN CCCCCNC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000749323874 585201405 /nfs/dbraw/zinc/20/14/05/585201405.db2.gz VCONAABGSRVYKS-VAWYXSNFSA-N 0 0 249.329 3.535 20 0 BHADRN CCC1(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000749324591 585201354 /nfs/dbraw/zinc/20/13/54/585201354.db2.gz ZNENSMKFIGKDMD-UHFFFAOYSA-N 0 0 239.318 3.969 20 0 BHADRN CCCCC(=O)OCc1cc2c(cccc2C)[nH]1 ZINC000749328413 585201353 /nfs/dbraw/zinc/20/13/53/585201353.db2.gz CNCMXCIVMCOFBB-UHFFFAOYSA-N 0 0 245.322 3.710 20 0 BHADRN CCC(CC)NC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000749328568 585201393 /nfs/dbraw/zinc/20/13/93/585201393.db2.gz FJOBYNWUNIBSLE-KHPPLWFESA-N 0 0 249.329 3.534 20 0 BHADRN CCC(CC)NC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000749328570 585201371 /nfs/dbraw/zinc/20/13/71/585201371.db2.gz FJOBYNWUNIBSLE-ZHACJKMWSA-N 0 0 249.329 3.534 20 0 BHADRN CC[C@H](C)C(=O)OCc1cc2c(cccc2C)[nH]1 ZINC000749330828 583588028 /nfs/dbraw/zinc/58/80/28/583588028.db2.gz NCQPSCFDBLXTDJ-JTQLQIEISA-N 0 0 245.322 3.566 20 0 BHADRN CC[C@@H](C)C(=O)OCc1cc2c(cccc2C)[nH]1 ZINC000749330831 583587870 /nfs/dbraw/zinc/58/78/70/583587870.db2.gz NCQPSCFDBLXTDJ-SNVBAGLBSA-N 0 0 245.322 3.566 20 0 BHADRN CCCc1ccc(NC(=O)C2(CC)CC2)cc1 ZINC000749335759 585201464 /nfs/dbraw/zinc/20/14/64/585201464.db2.gz FCZQJPXVJICYNJ-UHFFFAOYSA-N 0 0 231.339 3.768 20 0 BHADRN C[C@@H](C(=O)N1CCCCCCC1)C1CCCC1 ZINC000749337857 585201400 /nfs/dbraw/zinc/20/14/00/585201400.db2.gz GXTASAUECCLVBH-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@H](C(=O)N1CCCCCCC1)C1CCCC1 ZINC000749337858 585201434 /nfs/dbraw/zinc/20/14/34/585201434.db2.gz GXTASAUECCLVBH-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN Cc1ccc(OC(=O)[C@H](C)C2CCCC2)cc1 ZINC000749339534 585201424 /nfs/dbraw/zinc/20/14/24/585201424.db2.gz BHJWHVAPZXDYQP-GFCCVEGCSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](C)C2CCCC2)cc1 ZINC000749339535 585201463 /nfs/dbraw/zinc/20/14/63/585201463.db2.gz BHJWHVAPZXDYQP-LBPRGKRZSA-N 0 0 232.323 3.727 20 0 BHADRN C[C@H](C(=O)Oc1cccc(F)c1)C1CCCC1 ZINC000749339587 585201231 /nfs/dbraw/zinc/20/12/31/585201231.db2.gz FVYJCIYQHGDGMQ-JTQLQIEISA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H](C(=O)Oc1cccc(F)c1)C1CCCC1 ZINC000749339588 585201285 /nfs/dbraw/zinc/20/12/85/585201285.db2.gz FVYJCIYQHGDGMQ-SNVBAGLBSA-N 0 0 236.286 3.557 20 0 BHADRN CCCCCCNC(=O)[C@H](C)C1CCCC1 ZINC000749340038 585201563 /nfs/dbraw/zinc/20/15/63/585201563.db2.gz LZPYBPGLWWZQHI-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCCNC(=O)[C@@H](C)C1CCCC1 ZINC000749340040 585201578 /nfs/dbraw/zinc/20/15/78/585201578.db2.gz LZPYBPGLWWZQHI-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN C[C@H](C(=O)Oc1ccccc1F)C1CCCC1 ZINC000749340439 585201509 /nfs/dbraw/zinc/20/15/09/585201509.db2.gz NRCVDXUDKDRPIT-JTQLQIEISA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H](C(=O)Oc1ccccc1F)C1CCCC1 ZINC000749340442 585201730 /nfs/dbraw/zinc/20/17/30/585201730.db2.gz NRCVDXUDKDRPIT-SNVBAGLBSA-N 0 0 236.286 3.557 20 0 BHADRN CCC(C)(C)NC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000749340462 585201646 /nfs/dbraw/zinc/20/16/46/585201646.db2.gz LNTXNSRFFSVQJW-KHPPLWFESA-N 0 0 249.329 3.534 20 0 BHADRN CCC(C)(C)NC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000749340464 585201674 /nfs/dbraw/zinc/20/16/74/585201674.db2.gz LNTXNSRFFSVQJW-ZHACJKMWSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@@H](C)NC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000749340697 585201642 /nfs/dbraw/zinc/20/16/42/585201642.db2.gz UPPCHELVBGPVNH-HCRIHEDKSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@H](C)NC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000749340698 585201729 /nfs/dbraw/zinc/20/17/29/585201729.db2.gz UPPCHELVBGPVNH-IIANPFDCSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@@H](C)NC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000749340699 585201524 /nfs/dbraw/zinc/20/15/24/585201524.db2.gz UPPCHELVBGPVNH-NLYDNYMLSA-N 0 0 249.329 3.534 20 0 BHADRN CCC[C@H](C)NC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000749340700 585201580 /nfs/dbraw/zinc/20/15/80/585201580.db2.gz UPPCHELVBGPVNH-WEHUKYGOSA-N 0 0 249.329 3.534 20 0 BHADRN C[C@H](C(=O)Oc1ccc(F)cc1)C1CCCC1 ZINC000749341111 585201545 /nfs/dbraw/zinc/20/15/45/585201545.db2.gz VRHOZYLAZPMJDQ-JTQLQIEISA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H](C(=O)Oc1ccc(F)cc1)C1CCCC1 ZINC000749341112 585201511 /nfs/dbraw/zinc/20/15/11/585201511.db2.gz VRHOZYLAZPMJDQ-SNVBAGLBSA-N 0 0 236.286 3.557 20 0 BHADRN CCC1(C(=O)Oc2ccc3ccccc3c2)CC1 ZINC000749341507 585201718 /nfs/dbraw/zinc/20/17/18/585201718.db2.gz ZURYDQBFVHVSJY-UHFFFAOYSA-N 0 0 240.302 3.935 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C1(CC)CC1 ZINC000749341575 585201575 /nfs/dbraw/zinc/20/15/75/585201575.db2.gz ZTXNNRRZLQKLPA-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C1(CC)CC1 ZINC000749341577 585201728 /nfs/dbraw/zinc/20/17/28/585201728.db2.gz ZTXNNRRZLQKLPA-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC000749341775 585201690 /nfs/dbraw/zinc/20/16/90/585201690.db2.gz FYPVEBLWQRUYKF-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC000749341777 585201648 /nfs/dbraw/zinc/20/16/48/585201648.db2.gz FYPVEBLWQRUYKF-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC000749341778 585201631 /nfs/dbraw/zinc/20/16/31/585201631.db2.gz FYPVEBLWQRUYKF-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC000749341779 585201548 /nfs/dbraw/zinc/20/15/48/585201548.db2.gz FYPVEBLWQRUYKF-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CCC1(C(=O)NCCCCCCC(C)C)CC1 ZINC000749342396 585201527 /nfs/dbraw/zinc/20/15/27/585201527.db2.gz QCAZETNTGPVVJE-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC1(C(=O)NCC2CCCCCCC2)CC1 ZINC000749352420 585201547 /nfs/dbraw/zinc/20/15/47/585201547.db2.gz NBDONPPHTCOKQO-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)C2CCCC2)cc1 ZINC000749366676 585201671 /nfs/dbraw/zinc/20/16/71/585201671.db2.gz GYMUQXXOLBZOQM-CYBMUJFWSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)C2CCCC2)cc1 ZINC000749366678 585201619 /nfs/dbraw/zinc/20/16/19/585201619.db2.gz GYMUQXXOLBZOQM-ZDUSSCGKSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1cscc1C(=O)N(C)c1ccc(C)cc1 ZINC000749366697 585201662 /nfs/dbraw/zinc/20/16/62/585201662.db2.gz HHBZSUGPLLQASM-UHFFFAOYSA-N 0 0 245.347 3.642 20 0 BHADRN Cc1ccc(N(C)C(=O)CCC2CCC2)cc1 ZINC000749367511 585201398 /nfs/dbraw/zinc/20/13/98/585201398.db2.gz XUKHPGHSCKOIMN-UHFFFAOYSA-N 0 0 231.339 3.538 20 0 BHADRN C[C@H](CNC(=O)[C@@H](C)C1CCCC1)C(C)(C)C ZINC000749392384 585201814 /nfs/dbraw/zinc/20/18/14/585201814.db2.gz WNEHTHNNLGNBNX-NEPJUHHUSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H](CNC(=O)[C@H](C)C1CCCC1)C(C)(C)C ZINC000749392386 585201931 /nfs/dbraw/zinc/20/19/31/585201931.db2.gz WNEHTHNNLGNBNX-NWDGAFQWSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H](CNC(=O)[C@@H](C)C1CCCC1)C(C)(C)C ZINC000749392387 585201797 /nfs/dbraw/zinc/20/17/97/585201797.db2.gz WNEHTHNNLGNBNX-RYUDHWBXSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H](C(=O)NC[C@@H](C)C(C)(C)C)C1CCCC1 ZINC000749392389 585201924 /nfs/dbraw/zinc/20/19/24/585201924.db2.gz WNEHTHNNLGNBNX-VXGBXAGGSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H](C(=O)N1CCC2(CCCC2)C1)C1CCCC1 ZINC000749405812 644592802 /nfs/dbraw/zinc/59/28/02/644592802.db2.gz IRYZERQZAGLNNY-CYBMUJFWSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H](C(=O)N1CCC2(CCCC2)C1)C1CCCC1 ZINC000749405814 644592153 /nfs/dbraw/zinc/59/21/53/644592153.db2.gz IRYZERQZAGLNNY-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1Cc2ccccc2N1CCc1cccs1 ZINC000749437146 585202296 /nfs/dbraw/zinc/20/22/96/585202296.db2.gz RJVPWBFVXRPIQJ-GFCCVEGCSA-N 0 0 243.375 3.742 20 0 BHADRN C[C@H]1Cc2ccccc2N1CCc1cccs1 ZINC000749437147 585202505 /nfs/dbraw/zinc/20/25/05/585202505.db2.gz RJVPWBFVXRPIQJ-LBPRGKRZSA-N 0 0 243.375 3.742 20 0 BHADRN c1csc(CCN2CCCc3ccccc32)c1 ZINC000749437160 585202547 /nfs/dbraw/zinc/20/25/47/585202547.db2.gz SCUNUVDPSBLDHU-UHFFFAOYSA-N 0 0 243.375 3.743 20 0 BHADRN C[C@@H]1CN(CCc2cccs2)c2ccccc21 ZINC000749440227 585202249 /nfs/dbraw/zinc/20/22/49/585202249.db2.gz AXSCDGJLMDFEPH-GFCCVEGCSA-N 0 0 243.375 3.914 20 0 BHADRN C[C@H]1CN(CCc2cccs2)c2ccccc21 ZINC000749440228 585202234 /nfs/dbraw/zinc/20/22/34/585202234.db2.gz AXSCDGJLMDFEPH-LBPRGKRZSA-N 0 0 243.375 3.914 20 0 BHADRN CN(CCc1cccs1)c1ccc(F)cc1 ZINC000749441095 585202339 /nfs/dbraw/zinc/20/23/39/585202339.db2.gz QPPMJDFCUORLEA-UHFFFAOYSA-N 0 0 235.327 3.566 20 0 BHADRN Cc1cccc2c1CCN2CCc1cccs1 ZINC000749442240 585202302 /nfs/dbraw/zinc/20/23/02/585202302.db2.gz UZOZDUMJIFBKBA-UHFFFAOYSA-N 0 0 243.375 3.662 20 0 BHADRN Cc1ccc(SCCc2cccs2)nc1 ZINC000749457345 585202495 /nfs/dbraw/zinc/20/24/95/585202495.db2.gz MLZRWYTWZGZOIV-UHFFFAOYSA-N 0 0 235.377 3.786 20 0 BHADRN C/C=C\C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C ZINC000749507954 585203238 /nfs/dbraw/zinc/20/32/38/585203238.db2.gz IOKWAOADINBBCI-DDJMYBDESA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C\C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000749507955 585203208 /nfs/dbraw/zinc/20/32/08/585203208.db2.gz IOKWAOADINBBCI-LYASGUKUSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C/C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C ZINC000749507956 585203066 /nfs/dbraw/zinc/20/30/66/585203066.db2.gz IOKWAOADINBBCI-PMGBHYCQSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C/C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000749507957 585203039 /nfs/dbraw/zinc/20/30/39/585203039.db2.gz IOKWAOADINBBCI-VFADXPBXSA-N 0 0 245.366 3.775 20 0 BHADRN CCCCCCC(=O)Oc1cc(F)cc(F)c1 ZINC000749519310 585203307 /nfs/dbraw/zinc/20/33/07/585203307.db2.gz FCDRUQNQFGYWHS-UHFFFAOYSA-N 0 0 242.265 3.841 20 0 BHADRN CCC[C@@H](C)CC(=O)Oc1cc(F)cc(F)c1 ZINC000749521657 585203552 /nfs/dbraw/zinc/20/35/52/585203552.db2.gz SEPFTBUOPQBZCW-SECBINFHSA-N 0 0 242.265 3.697 20 0 BHADRN CCC[C@H](C)CC(=O)Oc1cc(F)cc(F)c1 ZINC000749521658 585203360 /nfs/dbraw/zinc/20/33/60/585203360.db2.gz SEPFTBUOPQBZCW-VIFPVBQESA-N 0 0 242.265 3.697 20 0 BHADRN CCN(Cc1nccs1)c1ccc(C)cc1C ZINC000749523207 585203361 /nfs/dbraw/zinc/20/33/61/585203361.db2.gz RVWAMUMMIBGHGP-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CCc1ccc(N(CC)Cc2nccs2)cc1 ZINC000749523636 585203483 /nfs/dbraw/zinc/20/34/83/585203483.db2.gz WPCNEBQZZRETAC-UHFFFAOYSA-N 0 0 246.379 3.732 20 0 BHADRN C/C=C/C(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000749556858 585203836 /nfs/dbraw/zinc/20/38/36/585203836.db2.gz CXJNCDLRECAHMX-HWKANZROSA-N 0 0 242.322 3.566 20 0 BHADRN C/C=C\C(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000749556860 585203749 /nfs/dbraw/zinc/20/37/49/585203749.db2.gz CXJNCDLRECAHMX-HYXAFXHYSA-N 0 0 242.322 3.566 20 0 BHADRN Cc1cc(CSCCc2cccs2)on1 ZINC000749700358 585205199 /nfs/dbraw/zinc/20/51/99/585205199.db2.gz YFEWQQPQLZGHDN-UHFFFAOYSA-N 0 0 239.365 3.520 20 0 BHADRN Fc1ccc(SCc2cscn2)c(F)c1 ZINC000749735971 644594287 /nfs/dbraw/zinc/59/42/87/644594287.db2.gz WCHYWVQQMXHEKY-UHFFFAOYSA-N 0 0 243.303 3.714 20 0 BHADRN CCCCCC[C@H](C)NC(=S)N[C@H](C)CC ZINC000749756356 585205381 /nfs/dbraw/zinc/20/53/81/585205381.db2.gz HTGOSFRPVSWWHB-NEPJUHHUSA-N 0 0 244.448 3.608 20 0 BHADRN CCCCCC[C@@H](C)NC(=S)N[C@@H](C)CC ZINC000749756358 585205521 /nfs/dbraw/zinc/20/55/21/585205521.db2.gz HTGOSFRPVSWWHB-NWDGAFQWSA-N 0 0 244.448 3.608 20 0 BHADRN CCCCCC[C@H](C)NC(=S)N[C@@H](C)CC ZINC000749756360 585205434 /nfs/dbraw/zinc/20/54/34/585205434.db2.gz HTGOSFRPVSWWHB-RYUDHWBXSA-N 0 0 244.448 3.608 20 0 BHADRN CCCCCC[C@@H](C)NC(=S)N[C@H](C)CC ZINC000749756362 585205361 /nfs/dbraw/zinc/20/53/61/585205361.db2.gz HTGOSFRPVSWWHB-VXGBXAGGSA-N 0 0 244.448 3.608 20 0 BHADRN CCCCCN(C(=S)N[C@H](C)CC)C(C)C ZINC000749767376 585205838 /nfs/dbraw/zinc/20/58/38/585205838.db2.gz NUSFYZIFQILMBB-GFCCVEGCSA-N 0 0 244.448 3.560 20 0 BHADRN CCCCCN(C(=S)N[C@@H](C)CC)C(C)C ZINC000749767378 585205970 /nfs/dbraw/zinc/20/59/70/585205970.db2.gz NUSFYZIFQILMBB-LBPRGKRZSA-N 0 0 244.448 3.560 20 0 BHADRN C[C@@H]1CCC[C@@H](CC(=O)Oc2ccccc2)C1 ZINC000749783236 585206197 /nfs/dbraw/zinc/20/61/97/585206197.db2.gz GNEXEYGWEVWCOF-CHWSQXEVSA-N 0 0 232.323 3.808 20 0 BHADRN C[C@@H]1CCC[C@H](CC(=O)Oc2ccccc2)C1 ZINC000749783237 585206225 /nfs/dbraw/zinc/20/62/25/585206225.db2.gz GNEXEYGWEVWCOF-OLZOCXBDSA-N 0 0 232.323 3.808 20 0 BHADRN C[C@H]1CCC[C@@H](CC(=O)Oc2ccccc2)C1 ZINC000749783238 585206221 /nfs/dbraw/zinc/20/62/21/585206221.db2.gz GNEXEYGWEVWCOF-QWHCGFSZSA-N 0 0 232.323 3.808 20 0 BHADRN C[C@H]1CCC[C@H](CC(=O)Oc2ccccc2)C1 ZINC000749783239 585206113 /nfs/dbraw/zinc/20/61/13/585206113.db2.gz GNEXEYGWEVWCOF-STQMWFEESA-N 0 0 232.323 3.808 20 0 BHADRN CCCCCCNC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000749785169 585206025 /nfs/dbraw/zinc/20/60/25/585206025.db2.gz SRIVRCYBGCAFPB-KBPBESRZSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCCNC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000749785206 585206002 /nfs/dbraw/zinc/20/60/02/585206002.db2.gz SRIVRCYBGCAFPB-KGLIPLIRSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCCNC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000749785208 585206138 /nfs/dbraw/zinc/20/61/38/585206138.db2.gz SRIVRCYBGCAFPB-UONOGXRCSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCCNC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000749785210 585206198 /nfs/dbraw/zinc/20/61/98/585206198.db2.gz SRIVRCYBGCAFPB-ZIAGYGMSSA-N 0 0 239.403 3.899 20 0 BHADRN CC/C=C(/C)C(=O)N(c1ccc(F)cc1)C(C)C ZINC000749799815 585206117 /nfs/dbraw/zinc/20/61/17/585206117.db2.gz BMIUFOLJBRNKSI-SDQBBNPISA-N 0 0 249.329 3.923 20 0 BHADRN CC/C=C(\C)C(=O)N(c1ccc(F)cc1)C(C)C ZINC000749799816 585206055 /nfs/dbraw/zinc/20/60/55/585206055.db2.gz BMIUFOLJBRNKSI-WUXMJOGZSA-N 0 0 249.329 3.923 20 0 BHADRN CC(C)=CC(=O)N(c1ccc(F)cc1)C(C)C ZINC000749799990 585206000 /nfs/dbraw/zinc/20/60/00/585206000.db2.gz GLGOQYRKFHBGCX-UHFFFAOYSA-N 0 0 235.302 3.533 20 0 BHADRN C/C=C/C=C\C(=O)N(c1ccc(F)cc1)C(C)C ZINC000749800842 585206489 /nfs/dbraw/zinc/20/64/89/585206489.db2.gz RTBZGQDDBLTHJU-DEQVHDEQSA-N 0 0 247.313 3.699 20 0 BHADRN C/C=C/C=C/C(=O)N(c1ccc(F)cc1)C(C)C ZINC000749800849 585206523 /nfs/dbraw/zinc/20/65/23/585206523.db2.gz RTBZGQDDBLTHJU-YTXTXJHMSA-N 0 0 247.313 3.699 20 0 BHADRN CC(C)CN(C/C=C\Cl)c1cccc(O)c1 ZINC000749801580 585206455 /nfs/dbraw/zinc/20/64/55/585206455.db2.gz HCROLLNXYSKHQD-DAXSKMNVSA-N 0 0 239.746 3.607 20 0 BHADRN CC(C)CN(C/C=C/Cl)c1cccc(O)c1 ZINC000749801581 585206305 /nfs/dbraw/zinc/20/63/05/585206305.db2.gz HCROLLNXYSKHQD-QPJJXVBHSA-N 0 0 239.746 3.607 20 0 BHADRN CCCC(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000749814598 585206527 /nfs/dbraw/zinc/20/65/27/585206527.db2.gz CDTIXSDKMDYAKQ-UHFFFAOYSA-N 0 0 245.366 3.673 20 0 BHADRN CC(C)C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000749816826 585206558 /nfs/dbraw/zinc/20/65/58/585206558.db2.gz VIWBAVDQSHFTPT-UHFFFAOYSA-N 0 0 245.366 3.529 20 0 BHADRN CC1CCC(C)(NC(=O)C=C2CCCCC2)CC1 ZINC000749827788 583616044 /nfs/dbraw/zinc/61/60/44/583616044.db2.gz AARREGMKSWCFJY-UHFFFAOYSA-N 0 0 249.398 3.962 20 0 BHADRN CCC/C(C)=C/C(=O)NC1(C)CCC(C)CC1 ZINC000749828756 585207147 /nfs/dbraw/zinc/20/71/47/585207147.db2.gz NLRSQUZKCVGGRX-ACCUITESSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C\C(=O)NC1(C)CCC(C)CC1 ZINC000749828759 585207163 /nfs/dbraw/zinc/20/71/63/585207163.db2.gz NLRSQUZKCVGGRX-QBFSEMIESA-N 0 0 237.387 3.818 20 0 BHADRN C[C@@H](CC(=O)NC1(C)CCC(C)CC1)C1CC1 ZINC000749828888 585207373 /nfs/dbraw/zinc/20/73/73/585207373.db2.gz QTRSYKJZLZZPBX-AVERBVTBSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(=O)NC1(C)CCC(C)CC1)C1CC1 ZINC000749828890 585207207 /nfs/dbraw/zinc/20/72/07/585207207.db2.gz QTRSYKJZLZZPBX-MQYJIDSJSA-N 0 0 237.387 3.508 20 0 BHADRN CC1CCC(C)(NC(=O)C=C2CCCC2)CC1 ZINC000749828935 585207179 /nfs/dbraw/zinc/20/71/79/585207179.db2.gz ROBONEBSSYAFBS-UHFFFAOYSA-N 0 0 235.371 3.572 20 0 BHADRN CC/C=C(/C)C(=O)NCC[C@@H](C)c1ccccc1 ZINC000749834395 585207434 /nfs/dbraw/zinc/20/74/34/585207434.db2.gz CMLJUIWLWXDPBQ-HRYODUOUSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C(/C)C(=O)NCC[C@H](C)c1ccccc1 ZINC000749834397 585207222 /nfs/dbraw/zinc/20/72/22/585207222.db2.gz CMLJUIWLWXDPBQ-IAOKNECISA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C(\C)C(=O)NCC[C@H](C)c1ccccc1 ZINC000749834400 585207422 /nfs/dbraw/zinc/20/74/22/585207422.db2.gz CMLJUIWLWXDPBQ-JGWKKKPCSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C=C(\C)C(=O)NCC[C@@H](C)c1ccccc1 ZINC000749834402 585207438 /nfs/dbraw/zinc/20/74/38/585207438.db2.gz CMLJUIWLWXDPBQ-SJWLEHQBSA-N 0 0 245.366 3.653 20 0 BHADRN CC1(C(=O)Nc2ccc3ccccc3c2)CCC1 ZINC000749861441 585207720 /nfs/dbraw/zinc/20/77/20/585207720.db2.gz RHWGJZSBOXJJIV-UHFFFAOYSA-N 0 0 239.318 3.969 20 0 BHADRN Cc1[nH]ccc1C(=O)Oc1ccc(Cl)cc1C ZINC000749876314 585207867 /nfs/dbraw/zinc/20/78/67/585207867.db2.gz BYGNEYIEGDPWDL-UHFFFAOYSA-N 0 0 249.697 3.504 20 0 BHADRN CCCc1ccc(NC(=O)C2(C)CCC2)cc1 ZINC000749877344 585207865 /nfs/dbraw/zinc/20/78/65/585207865.db2.gz XCRRWCATEPKAIE-UHFFFAOYSA-N 0 0 231.339 3.768 20 0 BHADRN CC1(C(=O)Oc2ccc3ccccc3c2)CCC1 ZINC000749879069 585207860 /nfs/dbraw/zinc/20/78/60/585207860.db2.gz CQZPXGDETOSCOD-UHFFFAOYSA-N 0 0 240.302 3.935 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C1(C)CCC1 ZINC000749883418 585207904 /nfs/dbraw/zinc/20/79/04/585207904.db2.gz QXHSUMYCTWWMEJ-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C1(C)CCC1 ZINC000749883419 585207735 /nfs/dbraw/zinc/20/77/35/585207735.db2.gz QXHSUMYCTWWMEJ-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CC(C)CCCCCCNC(=O)C1(C)CCC1 ZINC000749894203 585207973 /nfs/dbraw/zinc/20/79/73/585207973.db2.gz OQWXJGFVGPGVBM-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CSCCSc1ccc2c(c1)CCC2 ZINC000749901523 585207970 /nfs/dbraw/zinc/20/79/70/585207970.db2.gz APQPAQBXBBPOMB-UHFFFAOYSA-N 0 0 224.394 3.630 20 0 BHADRN c1nc(CSc2ccc3c(c2)CCC3)cs1 ZINC000749902469 585208078 /nfs/dbraw/zinc/20/80/78/585208078.db2.gz WJSJNZNVQAIGBL-UHFFFAOYSA-N 0 0 247.388 3.924 20 0 BHADRN Fc1ccc(F)c(SCc2cscn2)c1 ZINC000749906542 585208211 /nfs/dbraw/zinc/20/82/11/585208211.db2.gz KGXADCAXRLMGSY-UHFFFAOYSA-N 0 0 243.303 3.714 20 0 BHADRN CC1(C(=O)NCC2CCCCCCC2)CCC1 ZINC000749917417 585208162 /nfs/dbraw/zinc/20/81/62/585208162.db2.gz DDMWOJZBQYYQLE-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000749935275 585208658 /nfs/dbraw/zinc/20/86/58/585208658.db2.gz IDKBWFDTPMRFLJ-CNELAYHGSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000749935276 583621592 /nfs/dbraw/zinc/62/15/92/583621592.db2.gz IDKBWFDTPMRFLJ-KIWPFMIBSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC[C@H]1C(C)(C)CC ZINC000749935277 583621921 /nfs/dbraw/zinc/62/19/21/583621921.db2.gz IDKBWFDTPMRFLJ-SRXBQZRASA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC[C@H]1C(C)(C)CC ZINC000749935280 583621717 /nfs/dbraw/zinc/62/17/17/583621717.db2.gz IDKBWFDTPMRFLJ-SUIFULHWSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(C)(C)[C@@H]1CCCN1C(=O)C=C1CCCC1 ZINC000749935541 585208467 /nfs/dbraw/zinc/20/84/67/585208467.db2.gz QEQVMDMGVZOKQB-AWEZNQCLSA-N 0 0 249.398 3.914 20 0 BHADRN CCC(C)(C)[C@H]1CCCN1C(=O)C=C1CCCC1 ZINC000749935542 585208599 /nfs/dbraw/zinc/20/85/99/585208599.db2.gz QEQVMDMGVZOKQB-CQSZACIVSA-N 0 0 249.398 3.914 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000749935766 585208705 /nfs/dbraw/zinc/20/87/05/585208705.db2.gz LWUHKDOJNAMAHE-CNOUDQOJSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@H]1C(C)(C)CC ZINC000749935771 585208667 /nfs/dbraw/zinc/20/86/67/585208667.db2.gz LWUHKDOJNAMAHE-DZGQMXCCSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000749935775 585208680 /nfs/dbraw/zinc/20/86/80/585208680.db2.gz LWUHKDOJNAMAHE-OJSSUULZSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@H]1C(C)(C)CC ZINC000749935779 585208506 /nfs/dbraw/zinc/20/85/06/585208506.db2.gz LWUHKDOJNAMAHE-TZNFUXOQSA-N 0 0 235.371 3.546 20 0 BHADRN Fc1ccc(SCc2cscn2)cc1F ZINC000749942913 585208860 /nfs/dbraw/zinc/20/88/60/585208860.db2.gz MHHBAQKSASLECK-UHFFFAOYSA-N 0 0 243.303 3.714 20 0 BHADRN OCCCCCCSCC1CCCCC1 ZINC000750001824 585209351 /nfs/dbraw/zinc/20/93/51/585209351.db2.gz OBGXJQSTIQHISG-UHFFFAOYSA-N 0 0 230.417 3.853 20 0 BHADRN CC(C)Oc1ccc(OC(=O)C2(C)CCC2)cc1 ZINC000750004866 585209412 /nfs/dbraw/zinc/20/94/12/585209412.db2.gz ZFBWVOPDALCXPB-UHFFFAOYSA-N 0 0 248.322 3.569 20 0 BHADRN C[C@H](CCC(=O)OCC1CC1)c1ccccc1 ZINC000750097422 585210415 /nfs/dbraw/zinc/21/04/15/585210415.db2.gz VUTXUMPOIKMCSC-GFCCVEGCSA-N 0 0 232.323 3.524 20 0 BHADRN C[C@@H](CCC(=O)OCC1CC1)c1ccccc1 ZINC000750097423 585210265 /nfs/dbraw/zinc/21/02/65/585210265.db2.gz VUTXUMPOIKMCSC-LBPRGKRZSA-N 0 0 232.323 3.524 20 0 BHADRN CC[C@@H](C)OC(=O)CC[C@@H](C)c1ccccc1 ZINC000750097793 585210376 /nfs/dbraw/zinc/21/03/76/585210376.db2.gz XDHFJTXZMWUUDB-CHWSQXEVSA-N 0 0 234.339 3.912 20 0 BHADRN CC[C@H](C)OC(=O)CC[C@@H](C)c1ccccc1 ZINC000750097794 585210292 /nfs/dbraw/zinc/21/02/92/585210292.db2.gz XDHFJTXZMWUUDB-OLZOCXBDSA-N 0 0 234.339 3.912 20 0 BHADRN CC[C@@H](C)OC(=O)CC[C@H](C)c1ccccc1 ZINC000750097795 585210385 /nfs/dbraw/zinc/21/03/85/585210385.db2.gz XDHFJTXZMWUUDB-QWHCGFSZSA-N 0 0 234.339 3.912 20 0 BHADRN CC[C@H](C)OC(=O)CC[C@H](C)c1ccccc1 ZINC000750097796 585210293 /nfs/dbraw/zinc/21/02/93/585210293.db2.gz XDHFJTXZMWUUDB-STQMWFEESA-N 0 0 234.339 3.912 20 0 BHADRN C/C=C\COC(=O)CC[C@@H](C)c1ccccc1 ZINC000750117161 585210648 /nfs/dbraw/zinc/21/06/48/585210648.db2.gz BHSAEVNBBYVPKA-DHCBQETCSA-N 0 0 232.323 3.690 20 0 BHADRN C/C=C/COC(=O)CC[C@@H](C)c1ccccc1 ZINC000750117162 585210570 /nfs/dbraw/zinc/21/05/70/585210570.db2.gz BHSAEVNBBYVPKA-ITDFMYJTSA-N 0 0 232.323 3.690 20 0 BHADRN C/C=C/COC(=O)CC[C@H](C)c1ccccc1 ZINC000750117163 585210520 /nfs/dbraw/zinc/21/05/20/585210520.db2.gz BHSAEVNBBYVPKA-OOPCZODUSA-N 0 0 232.323 3.690 20 0 BHADRN C/C=C\COC(=O)CC[C@H](C)c1ccccc1 ZINC000750117164 585210634 /nfs/dbraw/zinc/21/06/34/585210634.db2.gz BHSAEVNBBYVPKA-SCOBNMCVSA-N 0 0 232.323 3.690 20 0 BHADRN CCCCCCC(=O)N(CCC)c1cccnc1 ZINC000750119095 585210547 /nfs/dbraw/zinc/21/05/47/585210547.db2.gz NECKVNYTAKJSHZ-UHFFFAOYSA-N 0 0 248.370 3.795 20 0 BHADRN CCC/C(C)=C/C(=O)N(CCC)c1cccnc1 ZINC000750119840 585210035 /nfs/dbraw/zinc/21/00/35/585210035.db2.gz RYMSJMBRINAQLT-ACCUITESSA-N 0 0 246.354 3.571 20 0 BHADRN CCC/C(C)=C\C(=O)N(CCC)c1cccnc1 ZINC000750119841 585210161 /nfs/dbraw/zinc/21/01/61/585210161.db2.gz RYMSJMBRINAQLT-QBFSEMIESA-N 0 0 246.354 3.571 20 0 BHADRN CCCN(C(=O)CC(C)(C)CC)c1cccnc1 ZINC000750121336 585210654 /nfs/dbraw/zinc/21/06/54/585210654.db2.gz DSPOYAFZJQQCIV-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CCCOC(=O)CC[C@@H](C)c1ccccc1 ZINC000750122149 585210763 /nfs/dbraw/zinc/21/07/63/585210763.db2.gz QNKCQFSXROTPDW-GFCCVEGCSA-N 0 0 220.312 3.524 20 0 BHADRN CCCOC(=O)CC[C@H](C)c1ccccc1 ZINC000750122150 585210718 /nfs/dbraw/zinc/21/07/18/585210718.db2.gz QNKCQFSXROTPDW-LBPRGKRZSA-N 0 0 220.312 3.524 20 0 BHADRN CCC[C@@H](C)CC(=O)N(CCC)c1cccnc1 ZINC000750124316 585210112 /nfs/dbraw/zinc/21/01/12/585210112.db2.gz ZJERCDAAJQUVFO-CYBMUJFWSA-N 0 0 248.370 3.651 20 0 BHADRN CCC[C@H](C)CC(=O)N(CCC)c1cccnc1 ZINC000750124319 585210132 /nfs/dbraw/zinc/21/01/32/585210132.db2.gz ZJERCDAAJQUVFO-ZDUSSCGKSA-N 0 0 248.370 3.651 20 0 BHADRN CCCN(C(=O)CCC(C)(C)C)c1cccnc1 ZINC000750127654 585210820 /nfs/dbraw/zinc/21/08/20/585210820.db2.gz CDFMOAADZTUBLO-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN C/C(=C/C(=O)N1C[C@@H]2CCCC[C@H]2C1)C(C)(C)C ZINC000750137543 585210999 /nfs/dbraw/zinc/21/09/99/585210999.db2.gz HXGHVENKWHPLRH-BHBDMTODSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C\C(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(C)(C)C ZINC000750137544 585211077 /nfs/dbraw/zinc/21/10/77/585211077.db2.gz HXGHVENKWHPLRH-IRBPBCMDSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C/C(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(C)(C)C ZINC000750137545 585211063 /nfs/dbraw/zinc/21/10/63/585211063.db2.gz HXGHVENKWHPLRH-JVGGDYBHSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C\C(=O)N1C[C@@H]2CCCC[C@H]2C1)C(C)(C)C ZINC000750137546 585210965 /nfs/dbraw/zinc/21/09/65/585210965.db2.gz HXGHVENKWHPLRH-ZJTSMVRJSA-N 0 0 249.398 3.627 20 0 BHADRN CCCCCCC(=O)N[C@@H]1CCCC1(C)C ZINC000750138078 585210988 /nfs/dbraw/zinc/21/09/88/585210988.db2.gz LVDYHOCWZZLMTE-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCCCC(=O)N[C@H]1CCCC1(C)C ZINC000750138080 585211014 /nfs/dbraw/zinc/21/10/14/585211014.db2.gz LVDYHOCWZZLMTE-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN C/C(=C\C(=O)N[C@@H]1CCCC1(C)C)C(C)(C)C ZINC000750138617 585210954 /nfs/dbraw/zinc/21/09/54/585210954.db2.gz WQQHVHQKCPFRAH-HCRIHEDKSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@H]1CCCC1(C)C)C(C)(C)C ZINC000750138727 585211024 /nfs/dbraw/zinc/21/10/24/585211024.db2.gz WQQHVHQKCPFRAH-IIANPFDCSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCCC1(C)C)C(C)(C)C ZINC000750138729 585211028 /nfs/dbraw/zinc/21/10/28/585211028.db2.gz WQQHVHQKCPFRAH-NLYDNYMLSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@H]1CCCC1(C)C)C(C)(C)C ZINC000750138731 585210893 /nfs/dbraw/zinc/21/08/93/585210893.db2.gz WQQHVHQKCPFRAH-WEHUKYGOSA-N 0 0 237.387 3.674 20 0 BHADRN CC1(C)CCC[C@H]1NC(=O)C=C1CCCCC1 ZINC000750139533 585211006 /nfs/dbraw/zinc/21/10/06/585211006.db2.gz KCDDJKKIEWXIAF-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN CC1(C)CCC[C@@H]1NC(=O)C=C1CCCCC1 ZINC000750139535 585211085 /nfs/dbraw/zinc/21/10/85/585211085.db2.gz KCDDJKKIEWXIAF-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN O=C(C=C1CCCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000750140661 585211004 /nfs/dbraw/zinc/21/10/04/585211004.db2.gz RAOWYKWUYPVWEU-GASCZTMLSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(C=C1CCCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000750140665 585211009 /nfs/dbraw/zinc/21/10/09/585211009.db2.gz RAOWYKWUYPVWEU-GJZGRUSLSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(C=C1CCCCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000750140668 585211074 /nfs/dbraw/zinc/21/10/74/585211074.db2.gz RAOWYKWUYPVWEU-HUUCEWRRSA-N 0 0 247.382 3.526 20 0 BHADRN Cc1cccc(OC(=O)[C@H](C)C2CCCC2)c1 ZINC000750150385 585211201 /nfs/dbraw/zinc/21/12/01/585211201.db2.gz BGDXMEPHBUMEKU-GFCCVEGCSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](C)C2CCCC2)c1 ZINC000750150386 585211215 /nfs/dbraw/zinc/21/12/15/585211215.db2.gz BGDXMEPHBUMEKU-LBPRGKRZSA-N 0 0 232.323 3.727 20 0 BHADRN CC[C@@H]1CCCC[C@H]1OC(=O)c1ncccc1C ZINC000750151021 585211135 /nfs/dbraw/zinc/21/11/35/585211135.db2.gz KZDPXHQBEAMCOS-CHWSQXEVSA-N 0 0 247.338 3.516 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1OC(=O)c1ncccc1C ZINC000750151084 585211158 /nfs/dbraw/zinc/21/11/58/585211158.db2.gz KZDPXHQBEAMCOS-OLZOCXBDSA-N 0 0 247.338 3.516 20 0 BHADRN CC[C@H]1CCCC[C@H]1OC(=O)c1ncccc1C ZINC000750151089 585211312 /nfs/dbraw/zinc/21/13/12/585211312.db2.gz KZDPXHQBEAMCOS-QWHCGFSZSA-N 0 0 247.338 3.516 20 0 BHADRN CC[C@H]1CCCC[C@@H]1OC(=O)c1ncccc1C ZINC000750151091 585211267 /nfs/dbraw/zinc/21/12/67/585211267.db2.gz KZDPXHQBEAMCOS-STQMWFEESA-N 0 0 247.338 3.516 20 0 BHADRN O=C(C/C=C/c1cccc(F)c1)OC1CCCC1 ZINC000750151358 585211319 /nfs/dbraw/zinc/21/13/19/585211319.db2.gz PNFXATUWIUOABQ-GQCTYLIASA-N 0 0 248.297 3.715 20 0 BHADRN O=C(C/C=C\c1cccc(F)c1)OC1CCCC1 ZINC000750151416 585211423 /nfs/dbraw/zinc/21/14/23/585211423.db2.gz PNFXATUWIUOABQ-XQRVVYSFSA-N 0 0 248.297 3.715 20 0 BHADRN C/C(=C/c1ccc(F)cc1)C(=O)OC1CCCC1 ZINC000750151428 585211262 /nfs/dbraw/zinc/21/12/62/585211262.db2.gz QHZBKJDXARQGGX-KHPPLWFESA-N 0 0 248.297 3.715 20 0 BHADRN C/C(=C\c1ccc(F)cc1)C(=O)OC1CCCC1 ZINC000750151429 585211286 /nfs/dbraw/zinc/21/12/86/585211286.db2.gz QHZBKJDXARQGGX-ZHACJKMWSA-N 0 0 248.297 3.715 20 0 BHADRN CCC1(C(=O)Oc2ccc(Cl)c(C)c2)CC1 ZINC000750151637 585211451 /nfs/dbraw/zinc/21/14/51/585211451.db2.gz AQYCOZYMWWOGNW-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CC1(C(=O)OCc2ccc(Cl)cc2)CCC1 ZINC000750151673 585211417 /nfs/dbraw/zinc/21/14/17/585211417.db2.gz BTUCDYAJJQOLLA-UHFFFAOYSA-N 0 0 238.714 3.573 20 0 BHADRN Cc1ccccc1OC(=O)[C@H](C)C1CCCC1 ZINC000750151750 585211508 /nfs/dbraw/zinc/21/15/08/585211508.db2.gz WTRZHLWYVZYINJ-GFCCVEGCSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1ccccc1OC(=O)[C@@H](C)C1CCCC1 ZINC000750151753 585211428 /nfs/dbraw/zinc/21/14/28/585211428.db2.gz WTRZHLWYVZYINJ-LBPRGKRZSA-N 0 0 232.323 3.727 20 0 BHADRN CCC1(C(=O)Oc2ccc(Cl)cc2C)CC1 ZINC000750151797 583635293 /nfs/dbraw/zinc/63/52/93/583635293.db2.gz DMZUKIATFZDGQS-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CC1(C(=O)OCc2ccccc2Cl)CCC1 ZINC000750151820 585211411 /nfs/dbraw/zinc/21/14/11/585211411.db2.gz DVWSSLARZNCMMA-UHFFFAOYSA-N 0 0 238.714 3.573 20 0 BHADRN C[C@@H](C(=O)OCc1ccccc1)C1CCCC1 ZINC000750152133 585211360 /nfs/dbraw/zinc/21/13/60/585211360.db2.gz FKRMNCRIXLXRPK-GFCCVEGCSA-N 0 0 232.323 3.556 20 0 BHADRN C[C@H](C(=O)OCc1ccccc1)C1CCCC1 ZINC000750152134 585211364 /nfs/dbraw/zinc/21/13/64/585211364.db2.gz FKRMNCRIXLXRPK-LBPRGKRZSA-N 0 0 232.323 3.556 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)C1(C)CCC1 ZINC000750153211 583635719 /nfs/dbraw/zinc/63/57/19/583635719.db2.gz NCYKAOWTXZOIPY-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1cc(OC(=O)C2(C)CCC2)ccc1Cl ZINC000750153328 585211468 /nfs/dbraw/zinc/21/14/68/585211468.db2.gz OUQVEUGJNOZBCO-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CCC1(C(=O)OCc2ccc(Cl)cc2)CC1 ZINC000750154083 585211362 /nfs/dbraw/zinc/21/13/62/585211362.db2.gz QZZISFLXOMDMQP-UHFFFAOYSA-N 0 0 238.714 3.573 20 0 BHADRN CCC1(C(=O)OCc2ccccc2Cl)CC1 ZINC000750154278 585211413 /nfs/dbraw/zinc/21/14/13/585211413.db2.gz SWVPWUGCUBVKHU-UHFFFAOYSA-N 0 0 238.714 3.573 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)C2(C)CCC2)c1 ZINC000750154509 585211349 /nfs/dbraw/zinc/21/13/49/585211349.db2.gz GYPZIRCKWCIXJJ-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CCC1(C(=O)Oc2cc(C)ccc2Cl)CC1 ZINC000750156098 585211629 /nfs/dbraw/zinc/21/16/29/585211629.db2.gz OOSMIZVBRMJUIF-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CCCOc1ccc(OC(=O)C2(CC)CC2)cc1 ZINC000750156352 585211611 /nfs/dbraw/zinc/21/16/11/585211611.db2.gz RSROVZXBFTYIGH-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN CCCOc1ccc(OC(=O)C2(C)CCC2)cc1 ZINC000750157515 585211722 /nfs/dbraw/zinc/21/17/22/585211722.db2.gz ZAYCQEQGXUWVTG-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN CC1(C(=O)Oc2ccc(Cl)cc2F)CCC1 ZINC000750162309 585211649 /nfs/dbraw/zinc/21/16/49/585211649.db2.gz DCSNYUNNNRFRPA-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)C2(C)CCC2)c1 ZINC000750166464 585211688 /nfs/dbraw/zinc/21/16/88/585211688.db2.gz KQLPWLMHNAYWQW-UHFFFAOYSA-N 0 0 232.323 3.707 20 0 BHADRN CCC1(C(=O)Oc2cc(C)cc(C)c2C)CC1 ZINC000750167186 585212033 /nfs/dbraw/zinc/21/20/33/585212033.db2.gz QMEYSUYVPOQTFD-UHFFFAOYSA-N 0 0 232.323 3.707 20 0 BHADRN CC1(C(=O)OCc2cc3ccccc3o2)CCC1 ZINC000750171886 585212032 /nfs/dbraw/zinc/21/20/32/585212032.db2.gz KEBJFPCRURDZOO-UHFFFAOYSA-N 0 0 244.290 3.666 20 0 BHADRN CCC1(C(=O)OCc2cc3ccccc3o2)CC1 ZINC000750172367 585211889 /nfs/dbraw/zinc/21/18/89/585211889.db2.gz LNXNPSKDXQDAQD-UHFFFAOYSA-N 0 0 244.290 3.666 20 0 BHADRN CC(C)c1cccc(N(C)CCCCCCO)c1 ZINC000750184807 585211868 /nfs/dbraw/zinc/21/18/68/585211868.db2.gz QMPWHLNCACWOFG-UHFFFAOYSA-N 0 0 249.398 3.799 20 0 BHADRN CCC1(C(=O)N(C)C2CCCCCCC2)CC1 ZINC000750185633 585211757 /nfs/dbraw/zinc/21/17/57/585211757.db2.gz SAKBQLJJYLJOOZ-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CN(C(=O)C1(C)CCC1)C1CCCCCCC1 ZINC000750185680 585211966 /nfs/dbraw/zinc/21/19/66/585211966.db2.gz VLMWZRHJBCKWOX-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CCC1(C(=O)O[C@H](C)c2cccc(C)c2)CC1 ZINC000750192467 585212139 /nfs/dbraw/zinc/21/21/39/585212139.db2.gz BTFKOBFYPBXFAQ-GFCCVEGCSA-N 0 0 232.323 3.789 20 0 BHADRN CCC1(C(=O)O[C@@H](C)c2cccc(C)c2)CC1 ZINC000750192469 585212262 /nfs/dbraw/zinc/21/22/62/585212262.db2.gz BTFKOBFYPBXFAQ-LBPRGKRZSA-N 0 0 232.323 3.789 20 0 BHADRN CC1(C(=O)Oc2cc(Cl)ccc2F)CCC1 ZINC000750193075 585212126 /nfs/dbraw/zinc/21/21/26/585212126.db2.gz IEJLQUAJWILUQW-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)C2(C)CCC2)c1 ZINC000750194336 585212346 /nfs/dbraw/zinc/21/23/46/585212346.db2.gz PLKNWEXDMZBXDN-GFCCVEGCSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)C2(C)CCC2)c1 ZINC000750194337 585212323 /nfs/dbraw/zinc/21/23/23/585212323.db2.gz PLKNWEXDMZBXDN-LBPRGKRZSA-N 0 0 232.323 3.789 20 0 BHADRN CC1(C(=O)O[C@@H]2CCc3ccc(F)cc32)CCC1 ZINC000750201725 585212130 /nfs/dbraw/zinc/21/21/30/585212130.db2.gz FOYRCHXMALOVBY-CYBMUJFWSA-N 0 0 248.297 3.546 20 0 BHADRN CC1(C(=O)O[C@H]2CCc3ccc(F)cc32)CCC1 ZINC000750201730 585212156 /nfs/dbraw/zinc/21/21/56/585212156.db2.gz FOYRCHXMALOVBY-ZDUSSCGKSA-N 0 0 248.297 3.546 20 0 BHADRN CCC1(C(=O)O[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000750204776 585212280 /nfs/dbraw/zinc/21/22/80/585212280.db2.gz LNYNXFAEKFQWDO-CYBMUJFWSA-N 0 0 248.297 3.546 20 0 BHADRN CCC1(C(=O)O[C@H]2CCc3ccc(F)cc32)CC1 ZINC000750204778 585212203 /nfs/dbraw/zinc/21/22/03/585212203.db2.gz LNYNXFAEKFQWDO-ZDUSSCGKSA-N 0 0 248.297 3.546 20 0 BHADRN CCCCOC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000750237940 585212380 /nfs/dbraw/zinc/21/23/80/585212380.db2.gz DSYDFJVLZUIOOF-NEPJUHHUSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCOC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000750237948 585212463 /nfs/dbraw/zinc/21/24/63/585212463.db2.gz DSYDFJVLZUIOOF-NWDGAFQWSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCOC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000750237950 585212366 /nfs/dbraw/zinc/21/23/66/585212366.db2.gz DSYDFJVLZUIOOF-RYUDHWBXSA-N 0 0 212.333 3.546 20 0 BHADRN 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585215530 /nfs/dbraw/zinc/21/55/30/585215530.db2.gz QSRWLMQXIIEFEV-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN CCC1(C(=O)OCc2ccc(Cl)s2)CC1 ZINC000750483293 583759585 /nfs/dbraw/zinc/75/95/85/583759585.db2.gz XXXITIPLFMGCTH-UHFFFAOYSA-N 0 0 244.743 3.635 20 0 BHADRN CCCCOC(=O)C/C=C\c1cccc(F)c1 ZINC000750486707 585215595 /nfs/dbraw/zinc/21/55/95/585215595.db2.gz XKXRHKMHJLTNRC-ALCCZGGFSA-N 0 0 236.286 3.572 20 0 BHADRN CCCCOC(=O)C/C=C/c1cccc(F)c1 ZINC000750486708 585215738 /nfs/dbraw/zinc/21/57/38/585215738.db2.gz XKXRHKMHJLTNRC-FNORWQNLSA-N 0 0 236.286 3.572 20 0 BHADRN CCC1(C(=O)OCc2cccc(Cl)c2)CC1 ZINC000750489269 585215585 /nfs/dbraw/zinc/21/55/85/585215585.db2.gz KOBNDDMPJSZYOB-UHFFFAOYSA-N 0 0 238.714 3.573 20 0 BHADRN C[C@@H](OC(=O)c1cc[nH]c1)c1ccccc1Cl ZINC000750494993 585216045 /nfs/dbraw/zinc/21/60/45/585216045.db2.gz POGIVEVJCMAGJD-SECBINFHSA-N 0 0 249.697 3.586 20 0 BHADRN C[C@H](OC(=O)c1cc[nH]c1)c1ccccc1Cl ZINC000750494996 585216102 /nfs/dbraw/zinc/21/61/02/585216102.db2.gz 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247.338 3.517 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)c1ncccc1C ZINC000750519849 585216392 /nfs/dbraw/zinc/21/63/92/585216392.db2.gz XRLSNYXQISZVDO-CYBMUJFWSA-N 0 0 249.354 3.906 20 0 BHADRN CCCC[C@H](CCC)OC(=O)c1ncccc1C ZINC000750519851 585216462 /nfs/dbraw/zinc/21/64/62/585216462.db2.gz XRLSNYXQISZVDO-ZDUSSCGKSA-N 0 0 249.354 3.906 20 0 BHADRN CC[C@H](OC(=O)c1cc[nH]c1C)c1ccccc1 ZINC000750524833 585216477 /nfs/dbraw/zinc/21/64/77/585216477.db2.gz CSPXVODZLNYBHN-AWEZNQCLSA-N 0 0 243.306 3.631 20 0 BHADRN CC[C@@H](OC(=O)c1cc[nH]c1C)c1ccccc1 ZINC000750524834 585216549 /nfs/dbraw/zinc/21/65/49/585216549.db2.gz CSPXVODZLNYBHN-CQSZACIVSA-N 0 0 243.306 3.631 20 0 BHADRN Cc1cc(COC(=O)C2(C)CCC2)c(C)s1 ZINC000750526635 585216748 /nfs/dbraw/zinc/21/67/48/585216748.db2.gz GLVORQZOWCOPAB-UHFFFAOYSA-N 0 0 238.352 3.598 20 0 BHADRN C[C@H](COC(=O)C1(C)CCC1)c1ccccc1 ZINC000750526711 585216701 /nfs/dbraw/zinc/21/67/01/585216701.db2.gz NPSWCLQYIILBBH-GFCCVEGCSA-N 0 0 232.323 3.524 20 0 BHADRN C[C@@H](COC(=O)C1(C)CCC1)c1ccccc1 ZINC000750526713 585216619 /nfs/dbraw/zinc/21/66/19/585216619.db2.gz NPSWCLQYIILBBH-LBPRGKRZSA-N 0 0 232.323 3.524 20 0 BHADRN Cc1cccc(C)c1COC(=O)C1(C)CCC1 ZINC000750529677 583783130 /nfs/dbraw/zinc/78/31/30/583783130.db2.gz YLAMFYGFLBEFLW-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN CC1(C(=O)OCc2ccc(Cl)s2)CCC1 ZINC000750532279 585216905 /nfs/dbraw/zinc/21/69/05/585216905.db2.gz DYQMUMYZWZAYNX-UHFFFAOYSA-N 0 0 244.743 3.635 20 0 BHADRN Cc1ccc(C)c(COC(=O)C2(C)CCC2)c1 ZINC000750533577 585217072 /nfs/dbraw/zinc/21/70/72/585217072.db2.gz BCZGTOHSBUZZDF-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN Cc1cc(C)cc(COC(=O)C2(C)CCC2)c1 ZINC000750534772 585217288 /nfs/dbraw/zinc/21/72/88/585217288.db2.gz NHBHYKCZKIPOIC-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN CC1(C(=O)OCc2cccc(Cl)c2)CCC1 ZINC000750535370 583785963 /nfs/dbraw/zinc/78/59/63/583785963.db2.gz RZZGCHZWLIQCGY-UHFFFAOYSA-N 0 0 238.714 3.573 20 0 BHADRN C/C=C/C=C\C(=O)N(C(C)C)C1CCCCC1 ZINC000750552549 585217354 /nfs/dbraw/zinc/21/73/54/585217354.db2.gz VTJAXZXSANKQBU-MDFVMQOBSA-N 0 0 235.371 3.688 20 0 BHADRN CCCCOC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000750553386 585217513 /nfs/dbraw/zinc/21/75/13/585217513.db2.gz ZTCWYHMHEKYUSW-MRVPVSSYSA-N 0 0 246.759 3.848 20 0 BHADRN CCCCOC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000750553388 585217515 /nfs/dbraw/zinc/21/75/15/585217515.db2.gz ZTCWYHMHEKYUSW-QMMMGPOBSA-N 0 0 246.759 3.848 20 0 BHADRN C/C(=C\C(=O)OC(C)C)c1cccc(Cl)c1 ZINC000750573379 585217683 /nfs/dbraw/zinc/21/76/83/585217683.db2.gz LTIDBTGEGAVYIM-JXMROGBWSA-N 0 0 238.714 3.695 20 0 BHADRN C/C(=C/C(=O)OC(C)C)c1cccc(Cl)c1 ZINC000750573380 585217669 /nfs/dbraw/zinc/21/76/69/585217669.db2.gz LTIDBTGEGAVYIM-YFHOEESVSA-N 0 0 238.714 3.695 20 0 BHADRN CCN(CCCCCCO)c1cc(C)ccc1C ZINC000750606221 585217826 /nfs/dbraw/zinc/21/78/26/585217826.db2.gz CDZDCVAWJICRFQ-UHFFFAOYSA-N 0 0 249.398 3.682 20 0 BHADRN CCN(CCCCCCO)c1ccc(C)cc1C ZINC000750606768 585217845 /nfs/dbraw/zinc/21/78/45/585217845.db2.gz 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/nfs/dbraw/zinc/21/82/52/585218252.db2.gz PQZQZRUOBYSCHQ-SNAWJCMRSA-N 0 0 236.286 3.647 20 0 BHADRN O=C(CCC1CCC1)O[C@H]1CCc2ccccc21 ZINC000750690003 585218228 /nfs/dbraw/zinc/21/82/28/585218228.db2.gz ACCCOWCJGZNKGN-HNNXBMFYSA-N 0 0 244.334 3.797 20 0 BHADRN O=C(CCC1CCC1)O[C@@H]1CCc2ccccc21 ZINC000750690004 585218230 /nfs/dbraw/zinc/21/82/30/585218230.db2.gz ACCCOWCJGZNKGN-OAHLLOKOSA-N 0 0 244.334 3.797 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)c1ncccc1C ZINC000750690075 585218390 /nfs/dbraw/zinc/21/83/90/585218390.db2.gz BOFFKGOADZKRKY-CYBMUJFWSA-N 0 0 249.354 3.906 20 0 BHADRN CCCCCC[C@H](C)OC(=O)c1ncccc1C ZINC000750690076 585218406 /nfs/dbraw/zinc/21/84/06/585218406.db2.gz BOFFKGOADZKRKY-ZDUSSCGKSA-N 0 0 249.354 3.906 20 0 BHADRN Cc1cccnc1C(=O)OC1CCCCCCC1 ZINC000750690370 585218399 /nfs/dbraw/zinc/21/83/99/585218399.db2.gz PJGGOAHSNJOAQN-UHFFFAOYSA-N 0 0 247.338 3.660 20 0 BHADRN C[C@H](C(=O)OCc1cccs1)C1CCCC1 ZINC000750690670 585217943 /nfs/dbraw/zinc/21/79/43/585217943.db2.gz SKZSXFVWKNDVBZ-JTQLQIEISA-N 0 0 238.352 3.618 20 0 BHADRN C[C@@H](C(=O)OCc1cccs1)C1CCCC1 ZINC000750690672 585217983 /nfs/dbraw/zinc/21/79/83/585217983.db2.gz SKZSXFVWKNDVBZ-SNVBAGLBSA-N 0 0 238.352 3.618 20 0 BHADRN CCC1(C(=O)O[C@@H](C)c2ccc(F)cc2)CC1 ZINC000750691580 712405497 /nfs/dbraw/zinc/40/54/97/712405497.db2.gz ANMHLLDZAQNZIJ-JTQLQIEISA-N 0 0 236.286 3.620 20 0 BHADRN CCC1(C(=O)O[C@H](C)c2ccc(F)cc2)CC1 ZINC000750691581 712405494 /nfs/dbraw/zinc/40/54/94/712405494.db2.gz ANMHLLDZAQNZIJ-SNVBAGLBSA-N 0 0 236.286 3.620 20 0 BHADRN C[C@H](OC(=O)C1(C)CCC1)c1ccc(F)cc1 ZINC000750693280 712405352 /nfs/dbraw/zinc/40/53/52/712405352.db2.gz HZCVAHJRWQZPAD-JTQLQIEISA-N 0 0 236.286 3.620 20 0 BHADRN C[C@@H](OC(=O)C1(C)CCC1)c1ccc(F)cc1 ZINC000750693283 712405427 /nfs/dbraw/zinc/40/54/27/712405427.db2.gz HZCVAHJRWQZPAD-SNVBAGLBSA-N 0 0 236.286 3.620 20 0 BHADRN CCC1(C(=O)O[C@@H](C)c2ccccc2C)CC1 ZINC000750694029 585218105 /nfs/dbraw/zinc/21/81/05/585218105.db2.gz LGPOMCNNDZKCKQ-LBPRGKRZSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)C1(C)CCC1 ZINC000750694463 712405378 /nfs/dbraw/zinc/40/53/78/712405378.db2.gz MWPPGIYDDXKSJO-LBPRGKRZSA-N 0 0 232.323 3.789 20 0 BHADRN C/C(=C/c1ccc(F)cc1)C(=O)O[C@H](C)C1CC1 ZINC000750694544 712405439 /nfs/dbraw/zinc/40/54/39/712405439.db2.gz NVYSOCSCFNATRC-DWOQACPDSA-N 0 0 248.297 3.571 20 0 BHADRN C/C(=C/c1ccc(F)cc1)C(=O)O[C@@H](C)C1CC1 ZINC000750694549 712405399 /nfs/dbraw/zinc/40/53/99/712405399.db2.gz NVYSOCSCFNATRC-JUDLJHIGSA-N 0 0 248.297 3.571 20 0 BHADRN C/C(=C\c1ccc(F)cc1)C(=O)O[C@H](C)C1CC1 ZINC000750694550 712405357 /nfs/dbraw/zinc/40/53/57/712405357.db2.gz NVYSOCSCFNATRC-PBQZMEPESA-N 0 0 248.297 3.571 20 0 BHADRN C/C(=C\c1ccc(F)cc1)C(=O)O[C@@H](C)C1CC1 ZINC000750694552 712405464 /nfs/dbraw/zinc/40/54/64/712405464.db2.gz NVYSOCSCFNATRC-USKTWTLRSA-N 0 0 248.297 3.571 20 0 BHADRN CCC1(C(=O)OCC(C)(C)c2ccccc2)CC1 ZINC000750695547 712405397 /nfs/dbraw/zinc/40/53/97/712405397.db2.gz WIIIUWWGXZHKQE-UHFFFAOYSA-N 0 0 246.350 3.698 20 0 BHADRN CCC1(C(=O)Oc2cccc(OC(C)C)c2)CC1 ZINC000750705791 585218495 /nfs/dbraw/zinc/21/84/95/585218495.db2.gz JVKSTBJUANKSPN-UHFFFAOYSA-N 0 0 248.322 3.569 20 0 BHADRN CC(C)Oc1cccc(OC(=O)C2(C)CCC2)c1 ZINC000750706437 585218585 /nfs/dbraw/zinc/21/85/85/585218585.db2.gz NYRGNOGKOLYAAD-UHFFFAOYSA-N 0 0 248.322 3.569 20 0 BHADRN CC(C)(C)SCCOC(=O)CCC1CCC1 ZINC000750707225 585218523 /nfs/dbraw/zinc/21/85/23/585218523.db2.gz ADDADUKXEAEYPJ-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)c2ncccc2C)C1 ZINC000750716361 585218866 /nfs/dbraw/zinc/21/88/66/585218866.db2.gz ZNZNUGJYVHEKPS-CHWSQXEVSA-N 0 0 247.338 3.516 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)c2ncccc2C)C1 ZINC000750716362 585218867 /nfs/dbraw/zinc/21/88/67/585218867.db2.gz ZNZNUGJYVHEKPS-OLZOCXBDSA-N 0 0 247.338 3.516 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)c2ncccc2C)C1 ZINC000750716364 585218708 /nfs/dbraw/zinc/21/87/08/585218708.db2.gz ZNZNUGJYVHEKPS-QWHCGFSZSA-N 0 0 247.338 3.516 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)c2ncccc2C)C1 ZINC000750716365 585218938 /nfs/dbraw/zinc/21/89/38/585218938.db2.gz ZNZNUGJYVHEKPS-STQMWFEESA-N 0 0 247.338 3.516 20 0 BHADRN C[C@H](C(=O)OCc1ccsc1)C1CCCC1 ZINC000750731106 585219045 /nfs/dbraw/zinc/21/90/45/585219045.db2.gz UZZHKWCXIQGECI-JTQLQIEISA-N 0 0 238.352 3.618 20 0 BHADRN C[C@@H](C(=O)OCc1ccsc1)C1CCCC1 ZINC000750731107 585219041 /nfs/dbraw/zinc/21/90/41/585219041.db2.gz UZZHKWCXIQGECI-SNVBAGLBSA-N 0 0 238.352 3.618 20 0 BHADRN O=C(OC1CCC1)c1occc1-c1ccccc1 ZINC000750738396 583837603 /nfs/dbraw/zinc/83/76/03/583837603.db2.gz NDBLGXFXWBKZGB-UHFFFAOYSA-N 0 0 242.274 3.656 20 0 BHADRN CCSc1ccccc1C(=O)OC1CCC1 ZINC000750738429 583837730 /nfs/dbraw/zinc/83/77/30/583837730.db2.gz QFWLIBUFGJNDEB-UHFFFAOYSA-N 0 0 236.336 3.508 20 0 BHADRN Cc1c2cccc(F)c2oc1C(=O)OC1CCC1 ZINC000750738469 712405632 /nfs/dbraw/zinc/40/56/32/712405632.db2.gz VDHATHWAKCCOKS-UHFFFAOYSA-N 0 0 248.253 3.590 20 0 BHADRN O=C(OC1CCC1)C1(c2ccccc2)CCCC1 ZINC000750738477 712405593 /nfs/dbraw/zinc/40/55/93/712405593.db2.gz VVWRKLSCYGVKOY-UHFFFAOYSA-N 0 0 244.334 3.594 20 0 BHADRN CC[C@H](CC(=O)OC1CCC1)c1ccccc1 ZINC000750738490 712405617 /nfs/dbraw/zinc/40/56/17/712405617.db2.gz YBLCKYAKDJVMPH-GFCCVEGCSA-N 0 0 232.323 3.666 20 0 BHADRN CC[C@@H](CC(=O)OC1CCC1)c1ccccc1 ZINC000750738491 712405597 /nfs/dbraw/zinc/40/55/97/712405597.db2.gz YBLCKYAKDJVMPH-LBPRGKRZSA-N 0 0 232.323 3.666 20 0 BHADRN CC(C)c1ccc(C(=O)OC2CCC2)cc1 ZINC000750738606 712405496 /nfs/dbraw/zinc/40/54/96/712405496.db2.gz KIMXVPRMRKGTBD-UHFFFAOYSA-N 0 0 218.296 3.519 20 0 BHADRN O=C(OC1CCC1)c1cc2sccc2s1 ZINC000750738646 712405596 /nfs/dbraw/zinc/40/55/96/712405596.db2.gz OEWVCRAIVVMWOG-UHFFFAOYSA-N 0 0 238.333 3.672 20 0 BHADRN CC(C)C[C@H](C(=O)OC1CCC1)c1ccccc1 ZINC000750738665 583837192 /nfs/dbraw/zinc/83/71/92/583837192.db2.gz QNMXQIPLFUAMNR-HNNXBMFYSA-N 0 0 246.350 3.912 20 0 BHADRN CC(C)C[C@@H](C(=O)OC1CCC1)c1ccccc1 ZINC000750738666 583837217 /nfs/dbraw/zinc/83/72/17/583837217.db2.gz QNMXQIPLFUAMNR-OAHLLOKOSA-N 0 0 246.350 3.912 20 0 BHADRN C[C@@H](CC(=O)OC1CCC1)CC(C)(C)C ZINC000750738689 712405590 /nfs/dbraw/zinc/40/55/90/712405590.db2.gz TYAMRWCGAMWUGF-JTQLQIEISA-N 0 0 212.333 3.545 20 0 BHADRN C[C@H](CC(=O)OC1CCC1)CC(C)(C)C ZINC000750738690 585219115 /nfs/dbraw/zinc/21/91/15/585219115.db2.gz TYAMRWCGAMWUGF-SNVBAGLBSA-N 0 0 212.333 3.545 20 0 BHADRN O=C(OC1CCC1)c1ccc(Cl)cc1Cl ZINC000750738714 585219140 /nfs/dbraw/zinc/21/91/40/585219140.db2.gz XFNFOCWCAAQEDA-UHFFFAOYSA-N 0 0 245.105 3.703 20 0 BHADRN O=C(OC1CCC1)c1cc(Cl)ccc1Cl ZINC000750739558 585219189 /nfs/dbraw/zinc/21/91/89/585219189.db2.gz ROZOSOIHGBACRP-UHFFFAOYSA-N 0 0 245.105 3.703 20 0 BHADRN CCC1(C)CCN(C(=O)C=C2CCCCC2)CC1 ZINC000750767656 585219530 /nfs/dbraw/zinc/21/95/30/585219530.db2.gz BHOCDLXDYRDTOL-UHFFFAOYSA-N 0 0 249.398 3.916 20 0 BHADRN CCCCCCC(=O)N1CCC(C)(CC)CC1 ZINC000750768170 585219564 /nfs/dbraw/zinc/21/95/64/585219564.db2.gz HTOSHPREFWLLJK-UHFFFAOYSA-N 0 0 239.403 3.996 20 0 BHADRN CCC1(C)CCN(C(=O)C=C2CCCC2)CC1 ZINC000750768440 585219646 /nfs/dbraw/zinc/21/96/46/585219646.db2.gz MABIWBNKSJDPAA-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN Cc1cccc(N(CCCCCCO)C(C)C)c1 ZINC000750795415 585219930 /nfs/dbraw/zinc/21/99/30/585219930.db2.gz HLIWILGAWNPTIT-UHFFFAOYSA-N 0 0 249.398 3.763 20 0 BHADRN Cc1ccccc1N(CCCCCCO)C(C)C ZINC000750795430 585219945 /nfs/dbraw/zinc/21/99/45/585219945.db2.gz IFJOUDRMAQOPBT-UHFFFAOYSA-N 0 0 249.398 3.763 20 0 BHADRN CCN(CCCCCCO)c1cccc(C)c1C ZINC000750796248 585220032 /nfs/dbraw/zinc/22/00/32/585220032.db2.gz SGHAPAXQHSNKAO-UHFFFAOYSA-N 0 0 249.398 3.682 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC000750817529 585220249 /nfs/dbraw/zinc/22/02/49/585220249.db2.gz HGXDLHBCQIMERW-FICVDOATSA-N 0 0 244.334 3.645 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1C ZINC000750818905 585220367 /nfs/dbraw/zinc/22/03/67/585220367.db2.gz BBIDTSPIYVDDAO-NHAGDIPZSA-N 0 0 244.334 3.645 20 0 BHADRN C[C@@H](OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000750819987 585220436 /nfs/dbraw/zinc/22/04/36/585220436.db2.gz PSRIYYOGCRHDDY-RZFFKMDDSA-N 0 0 244.334 3.727 20 0 BHADRN C[C@H](OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000750819990 585220550 /nfs/dbraw/zinc/22/05/50/585220550.db2.gz PSRIYYOGCRHDDY-SPWCGHHHSA-N 0 0 244.334 3.727 20 0 BHADRN CC[C@H](NC(=O)C=C1CCCC1)C1CCCCC1 ZINC000750820590 585220435 /nfs/dbraw/zinc/22/04/35/585220435.db2.gz DLNKCBGPIDLREB-HNNXBMFYSA-N 0 0 249.398 3.962 20 0 BHADRN CC[C@@H](NC(=O)C=C1CCCC1)C1CCCCC1 ZINC000750820591 585220552 /nfs/dbraw/zinc/22/05/52/585220552.db2.gz DLNKCBGPIDLREB-OAHLLOKOSA-N 0 0 249.398 3.962 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](CC)C1CCCCC1 ZINC000750821054 585220508 /nfs/dbraw/zinc/22/05/08/585220508.db2.gz IWJIDJVMEWSLFK-BJFLGHNSSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@H](CC)C1CCCCC1 ZINC000750821056 585220580 /nfs/dbraw/zinc/22/05/80/585220580.db2.gz IWJIDJVMEWSLFK-IRKXFWLVSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](CC)C1CCCCC1 ZINC000750821058 585220425 /nfs/dbraw/zinc/22/04/25/585220425.db2.gz IWJIDJVMEWSLFK-OCZPHEHWSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H](CC)C1CCCCC1 ZINC000750821059 585220377 /nfs/dbraw/zinc/22/03/77/585220377.db2.gz IWJIDJVMEWSLFK-WBBFKRNCSA-N 0 0 235.371 3.594 20 0 BHADRN CC[C@@H](NC(=O)/C=C(\C)C1CC1)C1CCCCC1 ZINC000750822970 585220420 /nfs/dbraw/zinc/22/04/20/585220420.db2.gz WUINELSUDMNBPS-AYJWMTRPSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@@H](NC(=O)/C=C(/C)C1CC1)C1CCCCC1 ZINC000750822971 585220447 /nfs/dbraw/zinc/22/04/47/585220447.db2.gz WUINELSUDMNBPS-QYMJWVLRSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@H](NC(=O)/C=C(\C)C1CC1)C1CCCCC1 ZINC000750822972 585220393 /nfs/dbraw/zinc/22/03/93/585220393.db2.gz WUINELSUDMNBPS-RUMSDORHSA-N 0 0 249.398 3.818 20 0 BHADRN CC[C@H](NC(=O)/C=C(/C)C1CC1)C1CCCCC1 ZINC000750822974 585220378 /nfs/dbraw/zinc/22/03/78/585220378.db2.gz WUINELSUDMNBPS-SSCKCOOKSA-N 0 0 249.398 3.818 20 0 BHADRN CCCCCC[C@@H](C)C(=O)Nc1cncc(C)c1 ZINC000750847768 585220442 /nfs/dbraw/zinc/22/04/42/585220442.db2.gz LFQFFPNCDZWJGQ-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCCC[C@H](C)C(=O)Nc1cncc(C)c1 ZINC000750847770 585220479 /nfs/dbraw/zinc/22/04/79/585220479.db2.gz LFQFFPNCDZWJGQ-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN Cc1cncc(NC(=O)C2CCCCCCC2)c1 ZINC000750850101 585220517 /nfs/dbraw/zinc/22/05/17/585220517.db2.gz QVWBCECLNDMRHN-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN C/C=C\C(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000750857412 585220718 /nfs/dbraw/zinc/22/07/18/585220718.db2.gz GDPULGSURSWXFC-AJHXJQRKSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C/C(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000750857414 585220634 /nfs/dbraw/zinc/22/06/34/585220634.db2.gz GDPULGSURSWXFC-PPYMECGQSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C/C(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000750857417 585220678 /nfs/dbraw/zinc/22/06/78/585220678.db2.gz GDPULGSURSWXFC-RZIFZGNASA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C\C(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000750857418 585220813 /nfs/dbraw/zinc/22/08/13/585220813.db2.gz GDPULGSURSWXFC-WUKHSURWSA-N 0 0 245.366 3.775 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)[C@@H]1CCCS1 ZINC000750895798 585221168 /nfs/dbraw/zinc/22/11/68/585221168.db2.gz LENALXPOCRHRQY-NEPJUHHUSA-N 0 0 244.400 3.784 20 0 BHADRN CCCC[C@H](CCC)OC(=O)[C@H]1CCCS1 ZINC000750895809 585221324 /nfs/dbraw/zinc/22/13/24/585221324.db2.gz LENALXPOCRHRQY-NWDGAFQWSA-N 0 0 244.400 3.784 20 0 BHADRN CCCC[C@H](CCC)OC(=O)[C@@H]1CCCS1 ZINC000750895810 585221317 /nfs/dbraw/zinc/22/13/17/585221317.db2.gz LENALXPOCRHRQY-RYUDHWBXSA-N 0 0 244.400 3.784 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)[C@H]1CCCS1 ZINC000750895811 585221229 /nfs/dbraw/zinc/22/12/29/585221229.db2.gz LENALXPOCRHRQY-VXGBXAGGSA-N 0 0 244.400 3.784 20 0 BHADRN C/C=C(/C)C(=O)O[C@@H](C)c1ccc(F)cc1F ZINC000750897725 585221468 /nfs/dbraw/zinc/22/14/68/585221468.db2.gz CKGRLFUIZFRXIF-OTOXVQDCSA-N 0 0 240.249 3.535 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](C)c1ccc(F)cc1F ZINC000750897735 585221348 /nfs/dbraw/zinc/22/13/48/585221348.db2.gz CKGRLFUIZFRXIF-SGDMMICCSA-N 0 0 240.249 3.535 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](C)c1ccc(F)cc1F ZINC000750897737 585220633 /nfs/dbraw/zinc/22/06/33/585220633.db2.gz CKGRLFUIZFRXIF-USYJTPIQSA-N 0 0 240.249 3.535 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)c1ccc(F)cc1F ZINC000750897738 585220801 /nfs/dbraw/zinc/22/08/01/585220801.db2.gz CKGRLFUIZFRXIF-VGANXODHSA-N 0 0 240.249 3.535 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](CC)c1ccccc1 ZINC000750901080 585221461 /nfs/dbraw/zinc/22/14/61/585221461.db2.gz DLJJFIHITGMUBG-HQAMWZJRSA-N 0 0 218.296 3.647 20 0 BHADRN C/C=C(/C)C(=O)O[C@@H](CC)c1ccccc1 ZINC000750901082 585221394 /nfs/dbraw/zinc/22/13/94/585221394.db2.gz DLJJFIHITGMUBG-KPVYPLCOSA-N 0 0 218.296 3.647 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](CC)c1ccccc1 ZINC000750901084 585221503 /nfs/dbraw/zinc/22/15/03/585221503.db2.gz DLJJFIHITGMUBG-RVFSUOIPSA-N 0 0 218.296 3.647 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](CC)c1ccccc1 ZINC000750901086 585221341 /nfs/dbraw/zinc/22/13/41/585221341.db2.gz DLJJFIHITGMUBG-XFVCYKSVSA-N 0 0 218.296 3.647 20 0 BHADRN C/C=C(/C)C(=O)OCc1csc2ccccc12 ZINC000750901475 585221531 /nfs/dbraw/zinc/22/15/31/585221531.db2.gz FQFKBKHQBMYQHS-KMKOMSMNSA-N 0 0 246.331 3.911 20 0 BHADRN C/C=C(\C)C(=O)OCc1csc2ccccc12 ZINC000750901477 585221496 /nfs/dbraw/zinc/22/14/96/585221496.db2.gz FQFKBKHQBMYQHS-XCVCLJGOSA-N 0 0 246.331 3.911 20 0 BHADRN C/C=C(/C)C(=O)O[C@@H](C)c1cccc(Cl)c1 ZINC000750901649 585221371 /nfs/dbraw/zinc/22/13/71/585221371.db2.gz GLXMGNKPLPXCSA-FWAPLPHYSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](C)c1cccc(Cl)c1 ZINC000750901652 585221533 /nfs/dbraw/zinc/22/15/33/585221533.db2.gz GLXMGNKPLPXCSA-LLGDCAAFSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)c1cccc(Cl)c1 ZINC000750901653 585221512 /nfs/dbraw/zinc/22/15/12/585221512.db2.gz GLXMGNKPLPXCSA-WXLQGSQKSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](C)c1cccc(Cl)c1 ZINC000750901654 585220710 /nfs/dbraw/zinc/22/07/10/585220710.db2.gz GLXMGNKPLPXCSA-ZUYFITGHSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(/C)C(=O)O[C@@H](C)c1ccccc1Cl ZINC000750901999 583848404 /nfs/dbraw/zinc/84/84/04/583848404.db2.gz BFENOXLSXSXWHY-FWAPLPHYSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](C)c1ccccc1Cl ZINC000750902002 583848346 /nfs/dbraw/zinc/84/83/46/583848346.db2.gz BFENOXLSXSXWHY-LLGDCAAFSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)c1ccccc1Cl ZINC000750902009 583848316 /nfs/dbraw/zinc/84/83/16/583848316.db2.gz BFENOXLSXSXWHY-WXLQGSQKSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](C)c1ccccc1Cl ZINC000750902011 583848370 /nfs/dbraw/zinc/84/83/70/583848370.db2.gz BFENOXLSXSXWHY-ZUYFITGHSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](C)CCc1ccccc1 ZINC000750903562 585221570 /nfs/dbraw/zinc/22/15/70/585221570.db2.gz GGYJSMPHRKRMDC-TWEXNZEWSA-N 0 0 232.323 3.517 20 0 BHADRN C/C=C(/C)C(=O)O[C@@H](C)CCc1ccccc1 ZINC000750903565 585221721 /nfs/dbraw/zinc/22/17/21/585221721.db2.gz GGYJSMPHRKRMDC-VEIWZVCTSA-N 0 0 232.323 3.517 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](C)CCc1ccccc1 ZINC000750903568 585221703 /nfs/dbraw/zinc/22/17/03/585221703.db2.gz GGYJSMPHRKRMDC-VFJIKVCNSA-N 0 0 232.323 3.517 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)CCc1ccccc1 ZINC000750903571 585221595 /nfs/dbraw/zinc/22/15/95/585221595.db2.gz GGYJSMPHRKRMDC-YKAQBRKTSA-N 0 0 232.323 3.517 20 0 BHADRN C/C=C(/C)C(=O)O[C@@H](C)c1ccc(Cl)cc1 ZINC000750904391 585221671 /nfs/dbraw/zinc/22/16/71/585221671.db2.gz IZWCREKVAOJNHY-FWAPLPHYSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](C)c1ccc(Cl)cc1 ZINC000750904393 585221690 /nfs/dbraw/zinc/22/16/90/585221690.db2.gz IZWCREKVAOJNHY-LLGDCAAFSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)c1ccc(Cl)cc1 ZINC000750904394 583848738 /nfs/dbraw/zinc/84/87/38/583848738.db2.gz IZWCREKVAOJNHY-WXLQGSQKSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](C)c1ccc(Cl)cc1 ZINC000750904396 583848754 /nfs/dbraw/zinc/84/87/54/583848754.db2.gz IZWCREKVAOJNHY-ZUYFITGHSA-N 0 0 238.714 3.910 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](C)c1c(F)cccc1F ZINC000750905045 585221724 /nfs/dbraw/zinc/22/17/24/585221724.db2.gz QXMFJZQPUVFAHG-USYJTPIQSA-N 0 0 240.249 3.535 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)c1c(F)cccc1F ZINC000750905046 585221607 /nfs/dbraw/zinc/22/16/07/585221607.db2.gz QXMFJZQPUVFAHG-VGANXODHSA-N 0 0 240.249 3.535 20 0 BHADRN CC(C)=C(C)C(=O)OC/C=C/c1ccccc1 ZINC000750940986 585222841 /nfs/dbraw/zinc/22/28/41/585222841.db2.gz MUOQOWIQDNQILN-JXMROGBWSA-N 0 0 230.307 3.599 20 0 BHADRN CC(C)=C(C)C(=O)OC/C=C\c1ccccc1 ZINC000750940987 585222688 /nfs/dbraw/zinc/22/26/88/585222688.db2.gz MUOQOWIQDNQILN-YFHOEESVSA-N 0 0 230.307 3.599 20 0 BHADRN CC(C)=C(C)C(=O)OCc1cc(C)sc1C ZINC000750941353 585222752 /nfs/dbraw/zinc/22/27/52/585222752.db2.gz OTMFBDOWVYAGTM-UHFFFAOYSA-N 0 0 238.352 3.764 20 0 BHADRN CC(C)=C(C)C(=O)O[C@H](C)c1cccc(F)c1 ZINC000750941383 636250300 /nfs/dbraw/zinc/25/03/00/636250300.db2.gz UFLIYJVVOCCJFG-LLVKDONJSA-N 0 0 236.286 3.786 20 0 BHADRN CC(C)=C(C)C(=O)O[C@@H](C)c1cccc(F)c1 ZINC000750941385 636251134 /nfs/dbraw/zinc/25/11/34/636251134.db2.gz UFLIYJVVOCCJFG-NSHDSACASA-N 0 0 236.286 3.786 20 0 BHADRN CC(C)=C(C)C(=O)O[C@H](C)c1ccc(F)cc1 ZINC000750941892 636251420 /nfs/dbraw/zinc/25/14/20/636251420.db2.gz WHJMINSRGHAAOU-LLVKDONJSA-N 0 0 236.286 3.786 20 0 BHADRN CC(C)=C(C)C(=O)O[C@@H](C)c1ccc(F)cc1 ZINC000750941893 636251077 /nfs/dbraw/zinc/25/10/77/636251077.db2.gz WHJMINSRGHAAOU-NSHDSACASA-N 0 0 236.286 3.786 20 0 BHADRN CC(C)=C(C)C(=O)OCc1ccc(Cl)s1 ZINC000750941925 585222844 /nfs/dbraw/zinc/22/28/44/585222844.db2.gz WVROFZNWHTYYQA-UHFFFAOYSA-N 0 0 244.743 3.801 20 0 BHADRN CC(C)=C(C)C(=O)O[C@H](C)c1ccccc1F ZINC000750942129 585222762 /nfs/dbraw/zinc/22/27/62/585222762.db2.gz ZECYXGQOTXBCGR-LLVKDONJSA-N 0 0 236.286 3.786 20 0 BHADRN CC(C)=C(C)C(=O)O[C@@H](C)c1ccccc1F ZINC000750942130 585222697 /nfs/dbraw/zinc/22/26/97/585222697.db2.gz ZECYXGQOTXBCGR-NSHDSACASA-N 0 0 236.286 3.786 20 0 BHADRN CC(C)=C(C)C(=O)O[C@H](C)c1ccccc1 ZINC000750942403 585222870 /nfs/dbraw/zinc/22/28/70/585222870.db2.gz KSICSMXWUGSDNX-GFCCVEGCSA-N 0 0 218.296 3.647 20 0 BHADRN CC(C)=C(C)C(=O)O[C@@H](C)c1ccccc1 ZINC000750942405 585222089 /nfs/dbraw/zinc/22/20/89/585222089.db2.gz KSICSMXWUGSDNX-LBPRGKRZSA-N 0 0 218.296 3.647 20 0 BHADRN CCCCCCNC(=O)CSC(CC)CC ZINC000750951285 585223008 /nfs/dbraw/zinc/22/30/08/585223008.db2.gz ABZSYRMFJXYOKF-UHFFFAOYSA-N 0 0 245.432 3.605 20 0 BHADRN Cc1ccc(CCCC(=O)OCC(C)C)s1 ZINC000750969766 585223056 /nfs/dbraw/zinc/22/30/56/585223056.db2.gz HYTDGWPHLCZRNR-UHFFFAOYSA-N 0 0 240.368 3.578 20 0 BHADRN CCCCOC(=O)CCCc1ccc(C)s1 ZINC000750972086 585222926 /nfs/dbraw/zinc/22/29/26/585222926.db2.gz XDTPMNDVFYMINT-UHFFFAOYSA-N 0 0 240.368 3.723 20 0 BHADRN CC[C@H](C)OC(=O)CCCc1ccc(C)s1 ZINC000750973932 585222928 /nfs/dbraw/zinc/22/29/28/585222928.db2.gz LJZFNQVVTXYCIL-JTQLQIEISA-N 0 0 240.368 3.721 20 0 BHADRN CC[C@@H](C)OC(=O)CCCc1ccc(C)s1 ZINC000750973933 585222945 /nfs/dbraw/zinc/22/29/45/585222945.db2.gz LJZFNQVVTXYCIL-SNVBAGLBSA-N 0 0 240.368 3.721 20 0 BHADRN O=C(/C=C\c1ccsc1)N1CCCCCCC1 ZINC000751060461 585223778 /nfs/dbraw/zinc/22/37/78/585223778.db2.gz FHUHHLBQWIDLDC-SREVYHEPSA-N 0 0 249.379 3.554 20 0 BHADRN C/C=C(\C)C(=O)Oc1ccc(Cl)cc1C ZINC000751113852 585224078 /nfs/dbraw/zinc/22/40/78/585224078.db2.gz BDVORSPZSVCSEV-XBXARRHUSA-N 0 0 224.687 3.520 20 0 BHADRN C/C=C(/C)C(=O)Oc1ccc(Cl)cc1C ZINC000751113853 585224091 /nfs/dbraw/zinc/22/40/91/585224091.db2.gz BDVORSPZSVCSEV-YWEYNIOJSA-N 0 0 224.687 3.520 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cccc(Cl)c1C ZINC000751113855 585224030 /nfs/dbraw/zinc/22/40/30/585224030.db2.gz BGIRLMWJIWOJIV-UHFFFAOYSA-N 0 0 237.730 3.943 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(C)cc1Cl ZINC000751113862 585224156 /nfs/dbraw/zinc/22/41/56/585224156.db2.gz BYJVMUBJVWFVAZ-UHFFFAOYSA-N 0 0 237.730 3.943 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(Cl)cc1F ZINC000751113867 585224192 /nfs/dbraw/zinc/22/41/92/585224192.db2.gz CCBLVRLQOPNWGY-UHFFFAOYSA-N 0 0 241.693 3.774 20 0 BHADRN CC(C)=C(C)C(=O)Nc1c(C)cccc1C ZINC000751113868 585224019 /nfs/dbraw/zinc/22/40/19/585224019.db2.gz CCHMQVXPMYXFSF-UHFFFAOYSA-N 0 0 217.312 3.598 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(C)cc1C ZINC000751113883 585224150 /nfs/dbraw/zinc/22/41/50/585224150.db2.gz CUWBZAPPAPFTRR-UHFFFAOYSA-N 0 0 217.312 3.598 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000751113884 585224194 /nfs/dbraw/zinc/22/41/94/585224194.db2.gz CVBSQZVTNXWZSQ-UHFFFAOYSA-N 0 0 237.730 3.943 20 0 BHADRN CC(C)=C(C)C(=O)NC1CCCCCCC1 ZINC000751113885 585224134 /nfs/dbraw/zinc/22/41/34/585224134.db2.gz CVGAMARIAXTLCV-UHFFFAOYSA-N 0 0 223.360 3.572 20 0 BHADRN CC(C)=C(C)C(=O)Nc1c(C)cc(C)cc1C ZINC000751113933 585224108 /nfs/dbraw/zinc/22/41/08/585224108.db2.gz GQXQVPXUSPGWQN-UHFFFAOYSA-N 0 0 231.339 3.907 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cccc(C)c1C ZINC000751113945 585224207 /nfs/dbraw/zinc/22/42/07/585224207.db2.gz HIMAJRDMRPPSJP-UHFFFAOYSA-N 0 0 217.312 3.598 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000751113947 585224126 /nfs/dbraw/zinc/22/41/26/585224126.db2.gz HJNHGZCBUXLVDH-IZZDOVSWSA-N 0 0 231.339 3.889 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000751113948 585224036 /nfs/dbraw/zinc/22/40/36/585224036.db2.gz HJNHGZCBUXLVDH-WDZFZDKYSA-N 0 0 231.339 3.889 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000751113972 585224073 /nfs/dbraw/zinc/22/40/73/585224073.db2.gz IQFPTLRUWSNZFH-VZUCSPMQSA-N 0 0 217.312 3.715 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](C)CCCC(C)C ZINC000751114026 585224214 /nfs/dbraw/zinc/22/42/14/585224214.db2.gz JBFXLSVQNXXHQE-GFCCVEGCSA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](C)CCCC(C)C ZINC000751114027 585224211 /nfs/dbraw/zinc/22/42/11/585224211.db2.gz JBFXLSVQNXXHQE-LBPRGKRZSA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)=C(C)C(=O)Nc1nc2ccccc2s1 ZINC000751114071 585224212 /nfs/dbraw/zinc/22/42/12/585224212.db2.gz KEELFWZUNIIBAP-UHFFFAOYSA-N 0 0 246.335 3.591 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccccc1Cl ZINC000751114073 585224075 /nfs/dbraw/zinc/22/40/75/585224075.db2.gz KEVZSXFOHDHOAF-UHFFFAOYSA-N 0 0 223.703 3.635 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000751114095 585224197 /nfs/dbraw/zinc/22/41/97/585224197.db2.gz KPVJJVWJNCDHQI-UHFFFAOYSA-N 0 0 241.693 3.774 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(CCCC)cc1 ZINC000751114132 585224221 /nfs/dbraw/zinc/22/42/21/585224221.db2.gz LKBILMADKZRQDK-LFYBBSHMSA-N 0 0 231.339 3.934 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc(CCCC)cc1 ZINC000751114133 585224070 /nfs/dbraw/zinc/22/40/70/585224070.db2.gz LKBILMADKZRQDK-XGICHPGQSA-N 0 0 231.339 3.934 20 0 BHADRN CCc1ccc(NC(=O)C(C)=C(C)C)cc1 ZINC000751114161 585224058 /nfs/dbraw/zinc/22/40/58/585224058.db2.gz MQRYJSJJAXLGID-UHFFFAOYSA-N 0 0 217.312 3.544 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cccc2c1CCCC2 ZINC000751114163 585224027 /nfs/dbraw/zinc/22/40/27/585224027.db2.gz MQTWQZNQCAICPS-UHFFFAOYSA-N 0 0 243.350 3.860 20 0 BHADRN CSc1ccccc1NC(=O)C(C)=C(C)C ZINC000751114183 585224143 /nfs/dbraw/zinc/22/41/43/585224143.db2.gz NRXKZNQSOMIOKW-UHFFFAOYSA-N 0 0 235.352 3.703 20 0 BHADRN C/C=C(/C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000751114233 585224045 /nfs/dbraw/zinc/22/40/45/585224045.db2.gz ONNGHCSMDGCGMN-CLTKARDFSA-N 0 0 244.121 3.898 20 0 BHADRN C/C=C(\C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000751114254 585224176 /nfs/dbraw/zinc/22/41/76/585224176.db2.gz ONNGHCSMDGCGMN-XVNBXDOJSA-N 0 0 244.121 3.898 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cc(Cl)ccc1C ZINC000751114288 585224172 /nfs/dbraw/zinc/22/41/72/585224172.db2.gz OVUORIACAXVPKK-UHFFFAOYSA-N 0 0 237.730 3.943 20 0 BHADRN CCc1cccc(NC(=O)C(C)=C(C)C)c1 ZINC000751114313 585224117 /nfs/dbraw/zinc/22/41/17/585224117.db2.gz PHCKWHYJBXAAON-UHFFFAOYSA-N 0 0 217.312 3.544 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cc(C)ccc1C ZINC000751114326 585224219 /nfs/dbraw/zinc/22/42/19/585224219.db2.gz PRPGQYKGBDNVDA-UHFFFAOYSA-N 0 0 217.312 3.598 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(F)cc1Cl ZINC000751114422 585224193 /nfs/dbraw/zinc/22/41/93/585224193.db2.gz QZASBJHLMWBMGN-UHFFFAOYSA-N 0 0 241.693 3.774 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cccc(Cl)c1 ZINC000751114425 585224021 /nfs/dbraw/zinc/22/40/21/585224021.db2.gz RBXPAQFKALQYCI-UHFFFAOYSA-N 0 0 223.703 3.635 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(Cl)cc1 ZINC000751114429 585224025 /nfs/dbraw/zinc/22/40/25/585224025.db2.gz RIQNBXMANPICLF-UHFFFAOYSA-N 0 0 223.703 3.635 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(Cl)cc1C ZINC000751114445 585224191 /nfs/dbraw/zinc/22/41/91/585224191.db2.gz SQKWRBHJKKBDIL-UHFFFAOYSA-N 0 0 237.730 3.943 20 0 BHADRN CCc1cccc(C)c1NC(=O)C(C)=C(C)C ZINC000751114554 585224185 /nfs/dbraw/zinc/22/41/85/585224185.db2.gz XBAJUXJLWOLTCL-UHFFFAOYSA-N 0 0 231.339 3.852 20 0 BHADRN C/C=C(/C)C(=O)Oc1ccc(Cl)cc1Cl ZINC000751114617 585224067 /nfs/dbraw/zinc/22/40/67/585224067.db2.gz XLYXSAMODHOBFY-CLTKARDFSA-N 0 0 245.105 3.865 20 0 BHADRN C/C=C(\C)C(=O)Oc1ccc(Cl)cc1Cl ZINC000751114618 585224175 /nfs/dbraw/zinc/22/41/75/585224175.db2.gz XLYXSAMODHOBFY-XVNBXDOJSA-N 0 0 245.105 3.865 20 0 BHADRN CSc1cccc(NC(=O)C(C)=C(C)C)c1 ZINC000751114654 585224181 /nfs/dbraw/zinc/22/41/81/585224181.db2.gz ZTYXSWHNRZJJNI-UHFFFAOYSA-N 0 0 235.352 3.703 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cnc2ccccc2c1 ZINC000751114894 585224169 /nfs/dbraw/zinc/22/41/69/585224169.db2.gz BRSMXAWBXUICCD-UHFFFAOYSA-N 0 0 240.306 3.530 20 0 BHADRN CC(C)=C(C)C(=O)N(Cc1ccccc1)C(C)C ZINC000751114923 585224055 /nfs/dbraw/zinc/22/40/55/585224055.db2.gz DMXCOHLBOGKABN-UHFFFAOYSA-N 0 0 245.366 3.780 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000751114947 583867426 /nfs/dbraw/zinc/86/74/26/583867426.db2.gz FSEYTNRNFDNVTL-HNNXBMFYSA-N 0 0 243.350 3.610 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000751114951 583867959 /nfs/dbraw/zinc/86/79/59/583867959.db2.gz FSEYTNRNFDNVTL-OAHLLOKOSA-N 0 0 243.350 3.610 20 0 BHADRN C/C=C(/C)C(=O)N1CCCc2cc(Cl)ccc21 ZINC000751114952 583867733 /nfs/dbraw/zinc/86/77/33/583867733.db2.gz FUJRWWXZOMJUSI-KMKOMSMNSA-N 0 0 249.741 3.585 20 0 BHADRN C/C=C(\C)C(=O)N1CCCc2cc(Cl)ccc21 ZINC000751114957 583867745 /nfs/dbraw/zinc/86/77/45/583867745.db2.gz FUJRWWXZOMJUSI-XCVCLJGOSA-N 0 0 249.741 3.585 20 0 BHADRN CC(C)=C(C)C(=O)N(C(C)C)C1CCCC1 ZINC000751115413 585224268 /nfs/dbraw/zinc/22/42/68/585224268.db2.gz GPNIBUFDZMZERY-UHFFFAOYSA-N 0 0 223.360 3.522 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000751115423 585224412 /nfs/dbraw/zinc/22/44/12/585224412.db2.gz GVJKMBMTFNSXOX-GFCCVEGCSA-N 0 0 249.329 3.701 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000751115426 585224406 /nfs/dbraw/zinc/22/44/06/585224406.db2.gz GVJKMBMTFNSXOX-LBPRGKRZSA-N 0 0 249.329 3.701 20 0 BHADRN CC(C)=C(C)C(=O)N(C)C1CCCCCC1 ZINC000751115489 585224347 /nfs/dbraw/zinc/22/43/47/585224347.db2.gz IDBJWDQZCHPGHM-UHFFFAOYSA-N 0 0 223.360 3.524 20 0 BHADRN CCN(C(=O)C(C)=C(C)C)C1CCCCC1 ZINC000751115490 585224353 /nfs/dbraw/zinc/22/43/53/585224353.db2.gz IDUKKKRFAPVKJR-UHFFFAOYSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000751115525 583867826 /nfs/dbraw/zinc/86/78/26/583867826.db2.gz JJFBISOSCOQRQB-DTHCKZEYSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000751115526 583868001 /nfs/dbraw/zinc/86/80/01/583868001.db2.gz JJFBISOSCOQRQB-WQPBDQAGSA-N 0 0 245.366 3.856 20 0 BHADRN CC(C)=C(C)C(=O)N1CCc2sccc2[C@H]1C ZINC000751115881 585224291 /nfs/dbraw/zinc/22/42/91/585224291.db2.gz LPQKEUOAOOHYLS-LLVKDONJSA-N 0 0 249.379 3.550 20 0 BHADRN CC(C)=C(C)C(=O)N1CCc2sccc2[C@@H]1C ZINC000751115888 585224272 /nfs/dbraw/zinc/22/42/72/585224272.db2.gz LPQKEUOAOOHYLS-NSHDSACASA-N 0 0 249.379 3.550 20 0 BHADRN CC(C)=C(C)C(=O)NC1(c2ccccc2)CCC1 ZINC000751115901 585224411 /nfs/dbraw/zinc/22/44/11/585224411.db2.gz LUHKJFKQLNGFFL-UHFFFAOYSA-N 0 0 243.350 3.538 20 0 BHADRN CCN(C(=O)C(C)=C(C)C)c1ccccc1C ZINC000751115971 585224129 /nfs/dbraw/zinc/22/41/29/585224129.db2.gz NCHYSUBGVADTHO-UHFFFAOYSA-N 0 0 231.339 3.704 20 0 BHADRN CC(C)=C(C)C(=O)N(Cc1cccs1)C1CC1 ZINC000751116011 585224262 /nfs/dbraw/zinc/22/42/62/585224262.db2.gz NNFRVKQNPODCHX-UHFFFAOYSA-N 0 0 249.379 3.595 20 0 BHADRN CC(C)=C(C)C(=O)N(Cc1ccccc1)C1CC1 ZINC000751116064 585224396 /nfs/dbraw/zinc/22/43/96/585224396.db2.gz OOCABPNXNGEASZ-UHFFFAOYSA-N 0 0 243.350 3.534 20 0 BHADRN CC(C)=C(C)C(=O)NC(C)(C)CC(C)(C)C ZINC000751116077 583866856 /nfs/dbraw/zinc/86/68/56/583866856.db2.gz PHBMIGJHWXSZPU-UHFFFAOYSA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)=C(C)C(=O)Oc1ccc(C)cc1C ZINC000751116146 585224300 /nfs/dbraw/zinc/22/43/00/585224300.db2.gz CNBKWPGLNHXZKS-UHFFFAOYSA-N 0 0 218.296 3.565 20 0 BHADRN CCCOc1ccccc1NC(=O)C(C)=C(C)C ZINC000751116170 585224344 /nfs/dbraw/zinc/22/43/44/585224344.db2.gz DDKAINCFZASYPV-UHFFFAOYSA-N 0 0 247.338 3.770 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cccc2ncccc21 ZINC000751116849 585224252 /nfs/dbraw/zinc/22/42/52/585224252.db2.gz GMOJIOGYSMRCKW-UHFFFAOYSA-N 0 0 240.306 3.530 20 0 BHADRN CC(C)=C(C)C(=O)Oc1cc(C)ccc1Cl ZINC000751116941 585224356 /nfs/dbraw/zinc/22/43/56/585224356.db2.gz ILEZINFPKVSKGN-UHFFFAOYSA-N 0 0 238.714 3.910 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cccc2cccnc21 ZINC000751116968 585224261 /nfs/dbraw/zinc/22/42/61/585224261.db2.gz IZHYLEBDXLAHPG-UHFFFAOYSA-N 0 0 240.306 3.530 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000751117011 583868627 /nfs/dbraw/zinc/86/86/27/583868627.db2.gz JPJLRXMGQJVBDO-HNNXBMFYSA-N 0 0 245.366 3.856 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000751117018 583868361 /nfs/dbraw/zinc/86/83/61/583868361.db2.gz JPJLRXMGQJVBDO-OAHLLOKOSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(/C)C(=O)N(C1CC1)C1CCC(CC)CC1 ZINC000751117330 585224278 /nfs/dbraw/zinc/22/42/78/585224278.db2.gz XPRVPOBTBXBQDY-QCDXTXTGSA-N 0 0 249.398 3.912 20 0 BHADRN C/C=C(\C)C(=O)N(C1CC1)C1CCC(CC)CC1 ZINC000751117331 585224240 /nfs/dbraw/zinc/22/42/40/585224240.db2.gz XPRVPOBTBXBQDY-UUILKARUSA-N 0 0 249.398 3.912 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000751117877 585224290 /nfs/dbraw/zinc/22/42/90/585224290.db2.gz KNKRKPGVXZBNAQ-CYBMUJFWSA-N 0 0 231.339 3.562 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000751117880 585224270 /nfs/dbraw/zinc/22/42/70/585224270.db2.gz KNKRKPGVXZBNAQ-ZDUSSCGKSA-N 0 0 231.339 3.562 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cccc(Cl)c1F ZINC000751118055 585224369 /nfs/dbraw/zinc/22/43/69/585224369.db2.gz NYIQUDBSMASYOT-UHFFFAOYSA-N 0 0 241.693 3.774 20 0 BHADRN C/C=C(/C)C(=O)N(C)c1ccc2ccccc2c1 ZINC000751118092 585224395 /nfs/dbraw/zinc/22/43/95/585224395.db2.gz OHKSCCNAIJBHTG-QCDXTXTGSA-N 0 0 239.318 3.769 20 0 BHADRN C/C=C(\C)C(=O)N(C)c1ccc2ccccc2c1 ZINC000751118093 585224371 /nfs/dbraw/zinc/22/43/71/585224371.db2.gz OHKSCCNAIJBHTG-UUILKARUSA-N 0 0 239.318 3.769 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](C)c1ccccc1C ZINC000751118733 583869600 /nfs/dbraw/zinc/86/96/00/583869600.db2.gz RJPFZINCWDPTSO-CYBMUJFWSA-N 0 0 231.339 3.529 20 0 BHADRN CC(C)=C(C)C(=O)N(C)c1cccc(C)c1C ZINC000751119156 585224333 /nfs/dbraw/zinc/22/43/33/585224333.db2.gz BYPJAVJURRMVGA-UHFFFAOYSA-N 0 0 231.339 3.623 20 0 BHADRN CSc1ccc(NC(=O)C(C)=C(C)C)cc1 ZINC000751119307 585224241 /nfs/dbraw/zinc/22/42/41/585224241.db2.gz VLWWANPLAKLFCA-UHFFFAOYSA-N 0 0 235.352 3.703 20 0 BHADRN CCc1ccccc1NC(=O)C(C)=C(C)C ZINC000751119349 585224238 /nfs/dbraw/zinc/22/42/38/585224238.db2.gz WIDIVABLWZZRLF-UHFFFAOYSA-N 0 0 217.312 3.544 20 0 BHADRN C/C=C(/C)C(=O)N(CC)c1ccc(C)cc1C ZINC000751120285 585224269 /nfs/dbraw/zinc/22/42/69/585224269.db2.gz NWHYRGDOFPCSGS-SDQBBNPISA-N 0 0 231.339 3.623 20 0 BHADRN C/C=C(\C)C(=O)N(CC)c1ccc(C)cc1C ZINC000751120286 585224358 /nfs/dbraw/zinc/22/43/58/585224358.db2.gz NWHYRGDOFPCSGS-WUXMJOGZSA-N 0 0 231.339 3.623 20 0 BHADRN CC(C)=C(C)C(=O)N(C)c1ccc(C)cc1C ZINC000751120302 585224229 /nfs/dbraw/zinc/22/42/29/585224229.db2.gz OIKLVBQYOKAMIV-UHFFFAOYSA-N 0 0 231.339 3.623 20 0 BHADRN CC(C)=C(C)C(=O)N(C)C1CCCCCCC1 ZINC000751120331 585224365 /nfs/dbraw/zinc/22/43/65/585224365.db2.gz OXCNKEBDLLPODU-UHFFFAOYSA-N 0 0 237.387 3.914 20 0 BHADRN C/C=C(/C)C(=O)N(CC)c1cc(C)ccc1C ZINC000751120698 585224276 /nfs/dbraw/zinc/22/42/76/585224276.db2.gz TYNQSHKMGJMSFP-SDQBBNPISA-N 0 0 231.339 3.623 20 0 BHADRN C/C=C(\C)C(=O)N(CC)c1cc(C)ccc1C ZINC000751120700 585224183 /nfs/dbraw/zinc/22/41/83/585224183.db2.gz TYNQSHKMGJMSFP-WUXMJOGZSA-N 0 0 231.339 3.623 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000751120891 585224505 /nfs/dbraw/zinc/22/45/05/585224505.db2.gz VLUUOSQQHVFFEX-UHFFFAOYSA-N 0 0 247.338 3.769 20 0 BHADRN C/C=C(\C)C(=O)N(c1ccc(C)cc1)C(C)C ZINC000751120955 583870206 /nfs/dbraw/zinc/87/02/06/583870206.db2.gz WMXCAITYAKHBGZ-AWNIVKPZSA-N 0 0 231.339 3.703 20 0 BHADRN C/C=C(/C)C(=O)N(c1ccc(C)cc1)C(C)C ZINC000751120956 583869962 /nfs/dbraw/zinc/86/99/62/583869962.db2.gz WMXCAITYAKHBGZ-MLPAPPSSSA-N 0 0 231.339 3.703 20 0 BHADRN CC(C)=C(C)C(=O)N(c1ccccc1)C(C)C ZINC000751120987 585224586 /nfs/dbraw/zinc/22/45/86/585224586.db2.gz XFSJWEHKIHZHBV-UHFFFAOYSA-N 0 0 231.339 3.784 20 0 BHADRN C/C=C(/C)C(=O)N(C)c1cccc2ccccc21 ZINC000751121036 585224519 /nfs/dbraw/zinc/22/45/19/585224519.db2.gz YBQWSZFYSYPAMB-QCDXTXTGSA-N 0 0 239.318 3.769 20 0 BHADRN C/C=C(\C)C(=O)N(C)c1cccc2ccccc21 ZINC000751121037 583870094 /nfs/dbraw/zinc/87/00/94/583870094.db2.gz YBQWSZFYSYPAMB-UUILKARUSA-N 0 0 239.318 3.769 20 0 BHADRN CC(C)=CC(=O)N(c1ccc(C)cc1)C(C)C ZINC000751131535 585224556 /nfs/dbraw/zinc/22/45/56/585224556.db2.gz HDTFVTTUUGOFQI-UHFFFAOYSA-N 0 0 231.339 3.703 20 0 BHADRN C/C=C/C=C/C(=O)N(c1ccc(C)cc1)C(C)C ZINC000751133624 583872108 /nfs/dbraw/zinc/87/21/08/583872108.db2.gz XWXDEWUQZUTTRL-BSWSSELBSA-N 0 0 243.350 3.869 20 0 BHADRN C/C=C/C=C\C(=O)N(c1ccc(C)cc1)C(C)C ZINC000751133625 583872071 /nfs/dbraw/zinc/87/20/71/583872071.db2.gz XWXDEWUQZUTTRL-MDAAKZFYSA-N 0 0 243.350 3.869 20 0 BHADRN CCCC(=O)N(c1ccc(C)cc1)C(C)C ZINC000751135420 585224515 /nfs/dbraw/zinc/22/45/15/585224515.db2.gz GSZFNRUVRJRNID-UHFFFAOYSA-N 0 0 219.328 3.537 20 0 BHADRN Cc1ccc(N(C(=O)C2CCCC2)C(C)C)cc1 ZINC000751135565 585224558 /nfs/dbraw/zinc/22/45/58/585224558.db2.gz UVQROVLCRGMXJK-UHFFFAOYSA-N 0 0 245.366 3.927 20 0 BHADRN CCCCC(=O)N(c1ccc(C)cc1)C(C)C ZINC000751137006 585224525 /nfs/dbraw/zinc/22/45/25/585224525.db2.gz UPZLPMJJUWSSJD-UHFFFAOYSA-N 0 0 233.355 3.927 20 0 BHADRN CC(C)(C)Oc1ccc(C(=O)OC2CCC2)cc1 ZINC000751176605 644598566 /nfs/dbraw/zinc/59/85/66/644598566.db2.gz DRRDWXLHOFWPSL-UHFFFAOYSA-N 0 0 248.322 3.573 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000751187835 585225130 /nfs/dbraw/zinc/22/51/30/585225130.db2.gz FDQFCPYLYDRBHW-GFCCVEGCSA-N 0 0 249.379 3.768 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000751187836 585225129 /nfs/dbraw/zinc/22/51/29/585225129.db2.gz FDQFCPYLYDRBHW-LBPRGKRZSA-N 0 0 249.379 3.768 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000751188711 583880793 /nfs/dbraw/zinc/88/07/93/583880793.db2.gz OHJLWVQIHYQWCL-HNNXBMFYSA-N 0 0 243.350 3.706 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000751188712 583880909 /nfs/dbraw/zinc/88/09/09/583880909.db2.gz OHJLWVQIHYQWCL-OAHLLOKOSA-N 0 0 243.350 3.706 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccccc1OC(C)C ZINC000751190075 585225118 /nfs/dbraw/zinc/22/51/18/585225118.db2.gz CHPQIRDQRLHZIY-UHFFFAOYSA-N 0 0 247.338 3.769 20 0 BHADRN CCc1ccc(CN(C)C(=O)C(C)=C(C)C)cc1 ZINC000751190133 585225246 /nfs/dbraw/zinc/22/52/46/585225246.db2.gz YVQRNSOQAUORJL-UHFFFAOYSA-N 0 0 245.366 3.564 20 0 BHADRN CCCN(Cc1ccccc1)C(=O)C(C)=C(C)C ZINC000751190784 585225091 /nfs/dbraw/zinc/22/50/91/585225091.db2.gz JUQMGQMSKOEDKB-UHFFFAOYSA-N 0 0 245.366 3.782 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000751191761 583881639 /nfs/dbraw/zinc/88/16/39/583881639.db2.gz VRPNKBYHIZXJPE-BLJGWETHSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000751191763 583881309 /nfs/dbraw/zinc/88/13/09/583881309.db2.gz VRPNKBYHIZXJPE-OAIDTJHVSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000751191772 583881554 /nfs/dbraw/zinc/88/15/54/583881554.db2.gz VRPNKBYHIZXJPE-RLLAQXBXSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000751191774 583881612 /nfs/dbraw/zinc/88/16/12/583881612.db2.gz VRPNKBYHIZXJPE-WXYBXBMJSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000751191892 585225144 /nfs/dbraw/zinc/22/51/44/585225144.db2.gz GXRCKVQKNNFUOE-GFCCVEGCSA-N 0 0 247.338 3.688 20 0 BHADRN CC(C)=C(C)C(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000751191893 585225217 /nfs/dbraw/zinc/22/52/17/585225217.db2.gz GXRCKVQKNNFUOE-LBPRGKRZSA-N 0 0 247.338 3.688 20 0 BHADRN CCCCCN(C(=O)C(C)=C(C)C)C(C)C ZINC000751191974 585225436 /nfs/dbraw/zinc/22/54/36/585225436.db2.gz IYBVKGPKUPAXBF-UHFFFAOYSA-N 0 0 225.376 3.770 20 0 BHADRN CCC(CC)CN(CC)C(=O)C(C)=C(C)C ZINC000751192093 583881595 /nfs/dbraw/zinc/88/15/95/583881595.db2.gz YCORFHDAFBECHC-UHFFFAOYSA-N 0 0 225.376 3.627 20 0 BHADRN CC/C=C(\C)C(=O)N[C@H](CC)C1CCCCC1 ZINC000751192313 585225441 /nfs/dbraw/zinc/22/54/41/585225441.db2.gz SGGWRXMEKBMJHX-BRADTZPFSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(/C)C(=O)N[C@H](CC)C1CCCCC1 ZINC000751192314 585225308 /nfs/dbraw/zinc/22/53/08/585225308.db2.gz SGGWRXMEKBMJHX-FWLQQBITSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H](CC)C1CCCCC1 ZINC000751192315 585225292 /nfs/dbraw/zinc/22/52/92/585225292.db2.gz SGGWRXMEKBMJHX-TZIYXEQSSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H](CC)C1CCCCC1 ZINC000751192316 585225289 /nfs/dbraw/zinc/22/52/89/585225289.db2.gz SGGWRXMEKBMJHX-UQTJOTSZSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)=C(C)C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000751192504 583881653 /nfs/dbraw/zinc/88/16/53/583881653.db2.gz HXWCDCIUFRODMV-UHFFFAOYSA-N 0 0 249.398 3.912 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000751192765 585225437 /nfs/dbraw/zinc/22/54/37/585225437.db2.gz QVMXKZYUMJXSLE-UHFFFAOYSA-N 0 0 241.693 3.774 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000751192792 583882123 /nfs/dbraw/zinc/88/21/23/583882123.db2.gz RNRUDGHAIXLSOQ-MXGNYRQSSA-N 0 0 237.387 3.530 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000751192794 583882089 /nfs/dbraw/zinc/88/20/89/583882089.db2.gz RNRUDGHAIXLSOQ-NSTJZCJQSA-N 0 0 237.387 3.530 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000751192795 583881900 /nfs/dbraw/zinc/88/19/00/583881900.db2.gz RNRUDGHAIXLSOQ-NVFMSCSUSA-N 0 0 237.387 3.530 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000751192796 583882003 /nfs/dbraw/zinc/88/20/03/583882003.db2.gz RNRUDGHAIXLSOQ-YOAQDLSHSA-N 0 0 237.387 3.530 20 0 BHADRN CC[C@H](NC(=O)C(C)=C(C)C)c1ccc(C)cc1 ZINC000751193194 585225488 /nfs/dbraw/zinc/22/54/88/585225488.db2.gz MDPHCRKGJSKZLU-HNNXBMFYSA-N 0 0 245.366 3.919 20 0 BHADRN CC[C@@H](NC(=O)C(C)=C(C)C)c1ccc(C)cc1 ZINC000751193196 585225378 /nfs/dbraw/zinc/22/53/78/585225378.db2.gz MDPHCRKGJSKZLU-OAHLLOKOSA-N 0 0 245.366 3.919 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000751193459 585225145 /nfs/dbraw/zinc/22/51/45/585225145.db2.gz YKQNLXIEXKTXQU-HNNXBMFYSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000751193460 585225122 /nfs/dbraw/zinc/22/51/22/585225122.db2.gz YKQNLXIEXKTXQU-OAHLLOKOSA-N 0 0 249.398 3.914 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000751193639 585225475 /nfs/dbraw/zinc/22/54/75/585225475.db2.gz ZRGQZJCSXFVRNL-PTJFDQCRSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000751193640 585225412 /nfs/dbraw/zinc/22/54/12/585225412.db2.gz ZRGQZJCSXFVRNL-RRIZPTRRSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(\C)C(=O)N1CCC2(CCCCC2)CC1 ZINC000751193740 585225379 /nfs/dbraw/zinc/22/53/79/585225379.db2.gz QXZXRKOHKNARBK-QLKAYGNNSA-N 0 0 235.371 3.526 20 0 BHADRN CC(C)=C(C)C(=O)N(C)CCC1CCCCC1 ZINC000751193963 585225503 /nfs/dbraw/zinc/22/55/03/585225503.db2.gz TYJCALSDCCWYSJ-UHFFFAOYSA-N 0 0 237.387 3.772 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC2(CCCCC2)CC1 ZINC000751194079 636272178 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CCOc1ccc(OC(=O)C2(CC)CCC2)cc1 ZINC000751213434 585225940 /nfs/dbraw/zinc/22/59/40/585225940.db2.gz WILLPAKZYBKXSG-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN CCC[C@@H](C)CC(=O)N(C)c1ccc(C)cc1 ZINC000751215620 585225976 /nfs/dbraw/zinc/22/59/76/585225976.db2.gz RVOOGRGLQFIFOG-CYBMUJFWSA-N 0 0 233.355 3.784 20 0 BHADRN CCC[C@H](C)CC(=O)N(C)c1ccc(C)cc1 ZINC000751215621 585225829 /nfs/dbraw/zinc/22/58/29/585225829.db2.gz RVOOGRGLQFIFOG-ZDUSSCGKSA-N 0 0 233.355 3.784 20 0 BHADRN CCC1(C(=O)Oc2ccc(C)cc2C)CCC1 ZINC000751215869 585225989 /nfs/dbraw/zinc/22/59/89/585225989.db2.gz BCBIBQIGWWWTDG-UHFFFAOYSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1ccc(N(C)C(=O)CC2CCCCC2)cc1 ZINC000751216308 585225864 /nfs/dbraw/zinc/22/58/64/585225864.db2.gz GOEPZWAUFCYQCS-UHFFFAOYSA-N 0 0 245.366 3.928 20 0 BHADRN Cc1ccc(N(C)C(=O)C=C2CCCCC2)cc1 ZINC000751216806 585225857 /nfs/dbraw/zinc/22/58/57/585225857.db2.gz GHDXKHYWTHHIFX-UHFFFAOYSA-N 0 0 243.350 3.848 20 0 BHADRN Cc1ccc(N(C)C(=O)C2(C)CCCC2)cc1 ZINC000751216829 585225846 /nfs/dbraw/zinc/22/58/46/585225846.db2.gz LSQUSKYMMZECSA-UHFFFAOYSA-N 0 0 231.339 3.538 20 0 BHADRN CCCCCCC(=O)N(C)c1ccc(C)cc1 ZINC000751216964 585225833 /nfs/dbraw/zinc/22/58/33/585225833.db2.gz QQGMHTBFPKHXEQ-UHFFFAOYSA-N 0 0 233.355 3.928 20 0 BHADRN Cc1ccc(N(C)C(=O)CCC2CCCC2)cc1 ZINC000751217100 585225934 /nfs/dbraw/zinc/22/59/34/585225934.db2.gz MVGVNPFOTQBXMS-UHFFFAOYSA-N 0 0 245.366 3.928 20 0 BHADRN Cc1ccc(N(C)C(=O)CC2CCCC2)cc1 ZINC000751217236 585225952 /nfs/dbraw/zinc/22/59/52/585225952.db2.gz QHNIHGOMQSBTNQ-UHFFFAOYSA-N 0 0 231.339 3.538 20 0 BHADRN Cc1ccc(N(C)C(=O)C2CCCCC2)cc1 ZINC000751217763 585226035 /nfs/dbraw/zinc/22/60/35/585226035.db2.gz RLPIHDSOIPWELI-UHFFFAOYSA-N 0 0 231.339 3.538 20 0 BHADRN Cc1ccc(C(=O)N(C)c2ccc(C)cc2)s1 ZINC000751217890 585226112 /nfs/dbraw/zinc/22/61/12/585226112.db2.gz YBPDADOOYFLCDT-UHFFFAOYSA-N 0 0 245.347 3.642 20 0 BHADRN Cc1ccsc1C(=O)N(C)c1ccc(C)cc1 ZINC000751217926 585226077 /nfs/dbraw/zinc/22/60/77/585226077.db2.gz 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XONDURLQTKOWIV-LSDHHAIUSA-N 0 0 249.398 3.509 20 0 BHADRN CC(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000751256235 585226009 /nfs/dbraw/zinc/22/60/09/585226009.db2.gz WHOVAWLRBIUNLV-UHFFFAOYSA-N 0 0 237.368 3.844 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@H]2C[C@H]2C2CC2)c1 ZINC000751278211 585226288 /nfs/dbraw/zinc/22/62/88/585226288.db2.gz VNDBUMLMFRRHTA-CQDKDKBSSA-N 0 0 244.334 3.645 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000751278212 585226404 /nfs/dbraw/zinc/22/64/04/585226404.db2.gz VNDBUMLMFRRHTA-GLQYFDAESA-N 0 0 244.334 3.645 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000751278213 585226430 /nfs/dbraw/zinc/22/64/30/585226430.db2.gz VNDBUMLMFRRHTA-NILFDRSVSA-N 0 0 244.334 3.645 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@@H]2C[C@H]2C2CC2)c1 ZINC000751278214 585226346 /nfs/dbraw/zinc/22/63/46/585226346.db2.gz VNDBUMLMFRRHTA-TUKIKUTGSA-N 0 0 244.334 3.645 20 0 BHADRN CCCc1ccc(NC(=O)C(C)=C(C)C)cc1 ZINC000751297755 585226475 /nfs/dbraw/zinc/22/64/75/585226475.db2.gz HYRMPGUSEUAFRV-UHFFFAOYSA-N 0 0 231.339 3.934 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000751297940 585226677 /nfs/dbraw/zinc/22/66/77/585226677.db2.gz UICTZELQQDMEIS-XBXARRHUSA-N 0 0 246.335 3.509 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000751297942 585226460 /nfs/dbraw/zinc/22/64/60/585226460.db2.gz UICTZELQQDMEIS-YWEYNIOJSA-N 0 0 246.335 3.509 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(CCC)cc1 ZINC000751298827 585226488 /nfs/dbraw/zinc/22/64/88/585226488.db2.gz PIDDQDRFNYRGMF-VZUCSPMQSA-N 0 0 217.312 3.544 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc(CCC)cc1 ZINC000751298828 585226651 /nfs/dbraw/zinc/22/66/51/585226651.db2.gz PIDDQDRFNYRGMF-WZUFQYTHSA-N 0 0 217.312 3.544 20 0 BHADRN C/C=C(/C)C(=O)Oc1cc(Cl)ccc1Cl ZINC000751308184 585226632 /nfs/dbraw/zinc/22/66/32/585226632.db2.gz GIEDKLVNDRXAII-CLTKARDFSA-N 0 0 245.105 3.865 20 0 BHADRN C/C=C(\C)C(=O)Oc1cc(Cl)ccc1Cl ZINC000751308190 585226640 /nfs/dbraw/zinc/22/66/40/585226640.db2.gz GIEDKLVNDRXAII-XVNBXDOJSA-N 0 0 245.105 3.865 20 0 BHADRN C/C=C(/C)C(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000751308615 585226574 /nfs/dbraw/zinc/22/65/74/585226574.db2.gz JVULQAHLERMKMA-CLTKARDFSA-N 0 0 245.105 3.865 20 0 BHADRN C/C=C(\C)C(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000751308616 585226668 /nfs/dbraw/zinc/22/66/68/585226668.db2.gz JVULQAHLERMKMA-XVNBXDOJSA-N 0 0 245.105 3.865 20 0 BHADRN CC(C)=C(C)C(=O)Oc1ccc(Cl)cc1 ZINC000751310891 585226617 /nfs/dbraw/zinc/22/66/17/585226617.db2.gz BBTYSTQSGMDVKQ-UHFFFAOYSA-N 0 0 224.687 3.602 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000751311340 585226601 /nfs/dbraw/zinc/22/66/01/585226601.db2.gz RZNQATSLZWLCON-GJIAFCOMSA-N 0 0 249.329 3.605 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000751311341 585226649 /nfs/dbraw/zinc/22/66/49/585226649.db2.gz RZNQATSLZWLCON-RKXVYHDYSA-N 0 0 249.329 3.605 20 0 BHADRN C/C=C(/C)C(=O)Oc1cc(Cl)cc(Cl)c1 ZINC000751311428 585226536 /nfs/dbraw/zinc/22/65/36/585226536.db2.gz KMLDTFAAGGNLCH-CLTKARDFSA-N 0 0 245.105 3.865 20 0 BHADRN C/C=C(\C)C(=O)Oc1cc(Cl)cc(Cl)c1 ZINC000751311430 585226549 /nfs/dbraw/zinc/22/65/49/585226549.db2.gz KMLDTFAAGGNLCH-XVNBXDOJSA-N 0 0 245.105 3.865 20 0 BHADRN CC(C)=C(C)C(=O)Oc1ccccc1Cl ZINC000751311536 585226521 /nfs/dbraw/zinc/22/65/21/585226521.db2.gz LQKONDNSHKZWMO-UHFFFAOYSA-N 0 0 224.687 3.602 20 0 BHADRN CC[C@@H](CNC(=O)C(C)=C(C)C)c1ccccc1 ZINC000751311578 585226473 /nfs/dbraw/zinc/22/64/73/585226473.db2.gz MHSBGIWSIKNKBK-AWEZNQCLSA-N 0 0 245.366 3.653 20 0 BHADRN CC[C@H](CNC(=O)C(C)=C(C)C)c1ccccc1 ZINC000751311580 585226515 /nfs/dbraw/zinc/22/65/15/585226515.db2.gz MHSBGIWSIKNKBK-CQSZACIVSA-N 0 0 245.366 3.653 20 0 BHADRN C/C=C(/C)C(=O)Oc1ccc2ccccc2c1 ZINC000751311994 585226296 /nfs/dbraw/zinc/22/62/96/585226296.db2.gz TWHRJICLJPLULI-JYOAFUTRSA-N 0 0 226.275 3.711 20 0 BHADRN C/C=C(\C)C(=O)Oc1ccc2ccccc2c1 ZINC000751312002 585226273 /nfs/dbraw/zinc/22/62/73/585226273.db2.gz TWHRJICLJPLULI-QDEBKDIKSA-N 0 0 226.275 3.711 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cc(Cl)ccc1F ZINC000751312644 585226849 /nfs/dbraw/zinc/22/68/49/585226849.db2.gz NFMCMAXESJUUSK-UHFFFAOYSA-N 0 0 241.693 3.774 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000751312773 585226803 /nfs/dbraw/zinc/22/68/03/585226803.db2.gz ONVMRUKJLJSSLC-CYBMUJFWSA-N 0 0 249.379 3.672 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000751312774 585226833 /nfs/dbraw/zinc/22/68/33/585226833.db2.gz ONVMRUKJLJSSLC-ZDUSSCGKSA-N 0 0 249.379 3.672 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000751312962 585226672 /nfs/dbraw/zinc/22/66/72/585226672.db2.gz OTOABRSJKICXDZ-QLFBSQMISA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000751312964 585226453 /nfs/dbraw/zinc/22/64/53/585226453.db2.gz OTOABRSJKICXDZ-RBSFLKMASA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000751312965 585226667 /nfs/dbraw/zinc/22/66/67/585226667.db2.gz OTOABRSJKICXDZ-RRFJBIMHSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000751312968 585226603 /nfs/dbraw/zinc/22/66/03/585226603.db2.gz OTOABRSJKICXDZ-SOUVJXGZSA-N 0 0 249.398 3.818 20 0 BHADRN C/C=C(\C)C(=O)N(CCC)Cc1ccc(C)cc1 ZINC000751322420 585226872 /nfs/dbraw/zinc/22/68/72/585226872.db2.gz DMZJTQFTCQIKBM-MKMNVTDBSA-N 0 0 245.366 3.700 20 0 BHADRN C/C=C(/C)C(=O)N(CCC)Cc1ccc(C)cc1 ZINC000751322421 585226758 /nfs/dbraw/zinc/22/67/58/585226758.db2.gz DMZJTQFTCQIKBM-NSIKDUERSA-N 0 0 245.366 3.700 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000751324406 585226796 /nfs/dbraw/zinc/22/67/96/585226796.db2.gz VGGGYNFNLNJIFK-IEWBSGLLSA-N 0 0 243.350 3.625 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000751324416 585226843 /nfs/dbraw/zinc/22/68/43/585226843.db2.gz VGGGYNFNLNJIFK-LCCUQNOHSA-N 0 0 243.350 3.625 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000751338014 585227089 /nfs/dbraw/zinc/22/70/89/585227089.db2.gz PSUSAYDKKTXPQQ-CYBMUJFWSA-N 0 0 231.339 3.529 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000751338016 585226989 /nfs/dbraw/zinc/22/69/89/585226989.db2.gz PSUSAYDKKTXPQQ-ZDUSSCGKSA-N 0 0 231.339 3.529 20 0 BHADRN CC[C@H](NC(=O)C(C)=C(C)C)c1ccccc1 ZINC000751339505 585227132 /nfs/dbraw/zinc/22/71/32/585227132.db2.gz XFBOWIAVRNUEDI-AWEZNQCLSA-N 0 0 231.339 3.610 20 0 BHADRN CC[C@@H](NC(=O)C(C)=C(C)C)c1ccccc1 ZINC000751339506 585226922 /nfs/dbraw/zinc/22/69/22/585226922.db2.gz XFBOWIAVRNUEDI-CQSZACIVSA-N 0 0 231.339 3.610 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@H](C)c1ccccc1F ZINC000751341115 585227058 /nfs/dbraw/zinc/22/70/58/585227058.db2.gz XODCLDBIDNAPBF-GFCCVEGCSA-N 0 0 249.329 3.701 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000751341117 585227001 /nfs/dbraw/zinc/22/70/01/585227001.db2.gz XODCLDBIDNAPBF-LBPRGKRZSA-N 0 0 249.329 3.701 20 0 BHADRN CC(C)=C(C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000751342464 585227060 /nfs/dbraw/zinc/22/70/60/585227060.db2.gz CSZDIEKLVUFEIS-UHFFFAOYSA-N 0 0 245.366 3.783 20 0 BHADRN CC(C)=C(C)C(=O)NCc1c(C)cc(C)cc1C ZINC000751342491 585227044 /nfs/dbraw/zinc/22/70/44/585227044.db2.gz DQNQOAQINDBKRY-UHFFFAOYSA-N 0 0 245.366 3.584 20 0 BHADRN C/C=C(\C)C(=O)N(CCC)Cc1ccccc1F ZINC000751344124 585227031 /nfs/dbraw/zinc/22/70/31/585227031.db2.gz BVUKSDZDWGGGHD-LFYBBSHMSA-N 0 0 249.329 3.531 20 0 BHADRN C/C=C(/C)C(=O)N(CCC)Cc1ccccc1F ZINC000751344127 585226959 /nfs/dbraw/zinc/22/69/59/585226959.db2.gz BVUKSDZDWGGGHD-XGICHPGQSA-N 0 0 249.329 3.531 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000751344507 585227113 /nfs/dbraw/zinc/22/71/13/585227113.db2.gz GBBASQFDWNCANA-AWEZNQCLSA-N 0 0 245.366 3.871 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000751344512 585227072 /nfs/dbraw/zinc/22/70/72/585227072.db2.gz GBBASQFDWNCANA-CQSZACIVSA-N 0 0 245.366 3.871 20 0 BHADRN CCN(Cc1ccccc1C)C(=O)C(C)=C(C)C ZINC000751345806 585227082 /nfs/dbraw/zinc/22/70/82/585227082.db2.gz NEOSRIRWDBBFOT-UHFFFAOYSA-N 0 0 245.366 3.700 20 0 BHADRN CCN(Cc1ccc(C)cc1)C(=O)C(C)=C(C)C ZINC000751346120 585227121 /nfs/dbraw/zinc/22/71/21/585227121.db2.gz PXMXUNBSDIZWHN-UHFFFAOYSA-N 0 0 245.366 3.700 20 0 BHADRN C/C=C(\C)C(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000751347339 585226812 /nfs/dbraw/zinc/22/68/12/585226812.db2.gz OHXJTBUVUAHFEG-GMMCIKNFSA-N 0 0 245.366 3.789 20 0 BHADRN C/C=C(\C)C(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000751347343 585226739 /nfs/dbraw/zinc/22/67/39/585226739.db2.gz OHXJTBUVUAHFEG-WEKMIXOTSA-N 0 0 245.366 3.789 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000751348070 585226988 /nfs/dbraw/zinc/22/69/88/585226988.db2.gz WFRHPZNKMKFVSJ-AWEZNQCLSA-N 0 0 245.366 3.871 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000751348073 585227081 /nfs/dbraw/zinc/22/70/81/585227081.db2.gz WFRHPZNKMKFVSJ-CQSZACIVSA-N 0 0 245.366 3.871 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000751348299 585227114 /nfs/dbraw/zinc/22/71/14/585227114.db2.gz FSKYTUVXSYQCJK-UHFFFAOYSA-N 0 0 242.322 3.771 20 0 BHADRN CCN(C(=O)C(C)=C(C)C)c1cccc(F)c1 ZINC000751348756 585226962 /nfs/dbraw/zinc/22/69/62/585226962.db2.gz HHNUKORPOBZTMB-UHFFFAOYSA-N 0 0 235.302 3.535 20 0 BHADRN CCCCN(CCCC)C(=O)C(C)=C(C)C ZINC000751348764 585226933 /nfs/dbraw/zinc/22/69/33/585226933.db2.gz CJQAYGHSYUPGBI-UHFFFAOYSA-N 0 0 225.376 3.772 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc2ncsc2c1 ZINC000751348766 585226780 /nfs/dbraw/zinc/22/67/80/585226780.db2.gz CKKRLKDQJDXZPB-UHFFFAOYSA-N 0 0 246.335 3.591 20 0 BHADRN COc1c(C)ccc(NC(=O)C(C)=C(C)C)c1C ZINC000751348799 585226960 /nfs/dbraw/zinc/22/69/60/585226960.db2.gz IOKJXNBTYAPRNV-UHFFFAOYSA-N 0 0 247.338 3.607 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000751348859 585227066 /nfs/dbraw/zinc/22/70/66/585227066.db2.gz FFPHJVCNBVRNPJ-CYBMUJFWSA-N 0 0 249.379 3.768 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000751349048 585227067 /nfs/dbraw/zinc/22/70/67/585227067.db2.gz FFPHJVCNBVRNPJ-ZDUSSCGKSA-N 0 0 249.379 3.768 20 0 BHADRN CCC1CCC(N(C)C(=O)C(C)=C(C)C)CC1 ZINC000751350132 585227030 /nfs/dbraw/zinc/22/70/30/585227030.db2.gz RZFJUTIREXLCIA-UHFFFAOYSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(\C)C(=O)N(CC)c1cccc(Cl)c1 ZINC000751350148 585226936 /nfs/dbraw/zinc/22/69/36/585226936.db2.gz SDUZTUUXGBRUDZ-ONNFQVAWSA-N 0 0 237.730 3.659 20 0 BHADRN C/C=C(/C)C(=O)N(CC)c1cccc(Cl)c1 ZINC000751350157 585227102 /nfs/dbraw/zinc/22/71/02/585227102.db2.gz SDUZTUUXGBRUDZ-WMZJFQQLSA-N 0 0 237.730 3.659 20 0 BHADRN C/C=C(\C)C(=O)N(CC)c1ccc(Cl)cc1 ZINC000751350467 585227086 /nfs/dbraw/zinc/22/70/86/585227086.db2.gz WMLUAKOMADLAMO-ONNFQVAWSA-N 0 0 237.730 3.659 20 0 BHADRN C/C=C(/C)C(=O)N(CC)c1ccc(Cl)cc1 ZINC000751350470 585227052 /nfs/dbraw/zinc/22/70/52/585227052.db2.gz WMLUAKOMADLAMO-WMZJFQQLSA-N 0 0 237.730 3.659 20 0 BHADRN CCCc1ccccc1NC(=O)C(C)=C(C)C ZINC000751350474 585227010 /nfs/dbraw/zinc/22/70/10/585227010.db2.gz WMVHVDMICZXEJG-UHFFFAOYSA-N 0 0 231.339 3.934 20 0 BHADRN CC(C)=C(C)C(=O)NCCCC1CCCCC1 ZINC000751350644 585227008 /nfs/dbraw/zinc/22/70/08/585227008.db2.gz HFDDSSXIJXQGBU-UHFFFAOYSA-N 0 0 237.387 3.819 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000751351031 585227083 /nfs/dbraw/zinc/22/70/83/585227083.db2.gz YCHSFUWUVXFYBC-PCGIRMHASA-N 0 0 237.368 3.508 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000751351042 585227075 /nfs/dbraw/zinc/22/70/75/585227075.db2.gz YCHSFUWUVXFYBC-QEHWCHDUSA-N 0 0 237.368 3.508 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc2ccccc2n1 ZINC000751351422 585227043 /nfs/dbraw/zinc/22/70/43/585227043.db2.gz IHOKWCLKDQFRLL-UHFFFAOYSA-N 0 0 240.306 3.530 20 0 BHADRN CC(C)=C(C)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000751352062 585227016 /nfs/dbraw/zinc/22/70/16/585227016.db2.gz OTSPGJQEGQXAGK-AEGPPILISA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)=C(C)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000751352063 585227334 /nfs/dbraw/zinc/22/73/34/585227334.db2.gz OTSPGJQEGQXAGK-CFVMTHIKSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)=C(C)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000751352064 585227269 /nfs/dbraw/zinc/22/72/69/585227269.db2.gz OTSPGJQEGQXAGK-NWANDNLSSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)=C(C)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000751352065 585227301 /nfs/dbraw/zinc/22/73/01/585227301.db2.gz OTSPGJQEGQXAGK-QEJZJMRPSA-N 0 0 249.398 3.770 20 0 BHADRN CCCOc1cccc(NC(=O)C(C)=C(C)C)c1 ZINC000751352587 585227255 /nfs/dbraw/zinc/22/72/55/585227255.db2.gz ZDTLCFOMHOEWGF-UHFFFAOYSA-N 0 0 247.338 3.770 20 0 BHADRN C/C=C(/C)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000751354207 585226686 /nfs/dbraw/zinc/22/66/86/585226686.db2.gz QJMRNAZGALDCFG-DKRCXCIFSA-N 0 0 249.329 3.701 20 0 BHADRN C/C=C(/C)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000751354208 585226848 /nfs/dbraw/zinc/22/68/48/585226848.db2.gz QJMRNAZGALDCFG-QJGQKNTRSA-N 0 0 249.329 3.701 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(OC(C)C)cc1C ZINC000751354470 585227319 /nfs/dbraw/zinc/22/73/19/585227319.db2.gz VNXOYDDWOYPVPW-IZZDOVSWSA-N 0 0 247.338 3.687 20 0 BHADRN CCOc1cc(C)ccc1NC(=O)C(C)=C(C)C ZINC000751354845 585227354 /nfs/dbraw/zinc/22/73/54/585227354.db2.gz XJSZNCCWIXEVQO-UHFFFAOYSA-N 0 0 247.338 3.689 20 0 BHADRN C/C=C(/C)C(=O)N1CCC(C2CCCCC2)CC1 ZINC000751355536 585227317 /nfs/dbraw/zinc/22/73/17/585227317.db2.gz LMNJDBDYNLMNNE-DXNYSGJVSA-N 0 0 249.398 3.772 20 0 BHADRN C/C=C(\C)C(=O)N1CCC(C2CCCCC2)CC1 ZINC000751355538 585227240 /nfs/dbraw/zinc/22/72/40/585227240.db2.gz LMNJDBDYNLMNNE-QLKAYGNNSA-N 0 0 249.398 3.772 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@H](C)c1cccs1 ZINC000751358020 585227318 /nfs/dbraw/zinc/22/73/18/585227318.db2.gz YVFBSYOFPSKCIH-LLVKDONJSA-N 0 0 237.368 3.624 20 0 BHADRN CC(C)=C(C)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000751358021 585227341 /nfs/dbraw/zinc/22/73/41/585227341.db2.gz YVFBSYOFPSKCIH-NSHDSACASA-N 0 0 237.368 3.624 20 0 BHADRN C/C=C(/C)C(=O)Nc1cccc(O[C@H](C)CC)c1 ZINC000751359668 585227140 /nfs/dbraw/zinc/22/71/40/585227140.db2.gz APRPBPMQTZBLSX-DKRCXCIFSA-N 0 0 247.338 3.769 20 0 BHADRN C/C=C(/C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000751359669 585227188 /nfs/dbraw/zinc/22/71/88/585227188.db2.gz APRPBPMQTZBLSX-QJGQKNTRSA-N 0 0 247.338 3.769 20 0 BHADRN C/C=C(\C)C(=O)N(CC)c1cccc(C)c1C ZINC000751360075 585227236 /nfs/dbraw/zinc/22/72/36/585227236.db2.gz FKXSSTKKQNZGRL-IZZDOVSWSA-N 0 0 231.339 3.623 20 0 BHADRN C/C=C(/C)C(=O)N(CC)c1cccc(C)c1C ZINC000751360076 585227337 /nfs/dbraw/zinc/22/73/37/585227337.db2.gz FKXSSTKKQNZGRL-WDZFZDKYSA-N 0 0 231.339 3.623 20 0 BHADRN C/C=C(\C)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC000751360178 585227232 /nfs/dbraw/zinc/22/72/32/585227232.db2.gz HUYZUHTUUWAHFC-CLUXPMKYSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(\C)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC000751360179 585227293 /nfs/dbraw/zinc/22/72/93/585227293.db2.gz HUYZUHTUUWAHFC-IMBBRHANSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(/C)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC000751360181 585227219 /nfs/dbraw/zinc/22/72/19/585227219.db2.gz HUYZUHTUUWAHFC-VDFGQWLZSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(/C)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC000751360183 585227171 /nfs/dbraw/zinc/22/71/71/585227171.db2.gz HUYZUHTUUWAHFC-WTKLMOFPSA-N 0 0 243.350 3.562 20 0 BHADRN CCCC1CCC(NC(=O)C(C)=C(C)C)CC1 ZINC000751360597 585227344 /nfs/dbraw/zinc/22/73/44/585227344.db2.gz MLQRHFKOPFCVFR-UHFFFAOYSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(/C)C(=O)N(CCCC)C1CCCCC1 ZINC000751362317 585227394 /nfs/dbraw/zinc/22/73/94/585227394.db2.gz CFUIQQNEHQJEEQ-ACAGNQJTSA-N 0 0 237.387 3.914 20 0 BHADRN C/C=C(\C)C(=O)N(CCCC)C1CCCCC1 ZINC000751362318 585227434 /nfs/dbraw/zinc/22/74/34/585227434.db2.gz CFUIQQNEHQJEEQ-WLRTZDKTSA-N 0 0 237.387 3.914 20 0 BHADRN CC(C)=C(C)C(=O)N(C1CC1)C1CCCCC1 ZINC000751362710 585227414 /nfs/dbraw/zinc/22/74/14/585227414.db2.gz FQGQRYYPZFQPNX-UHFFFAOYSA-N 0 0 235.371 3.666 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000751362724 585227559 /nfs/dbraw/zinc/22/75/59/585227559.db2.gz FSZRUAATBDIGEI-LLVKDONJSA-N 0 0 237.368 3.590 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000751362726 585227416 /nfs/dbraw/zinc/22/74/16/585227416.db2.gz FSZRUAATBDIGEI-NSHDSACASA-N 0 0 237.368 3.590 20 0 BHADRN C/C=C(/C)C(=O)N(CCC)CC1CCCCC1 ZINC000751362784 585227390 /nfs/dbraw/zinc/22/73/90/585227390.db2.gz GIENUWPYGRATLD-ACAGNQJTSA-N 0 0 237.387 3.772 20 0 BHADRN C/C=C(\C)C(=O)N(CCC)CC1CCCCC1 ZINC000751362788 585227572 /nfs/dbraw/zinc/22/75/72/585227572.db2.gz GIENUWPYGRATLD-WLRTZDKTSA-N 0 0 237.387 3.772 20 0 BHADRN C/C=C(/C)C(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000751363269 585227467 /nfs/dbraw/zinc/22/74/67/585227467.db2.gz JQCMPOQVOUUTRT-TWEXNZEWSA-N 0 0 243.350 3.705 20 0 BHADRN C/C=C(/C)C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000751363271 585227471 /nfs/dbraw/zinc/22/74/71/585227471.db2.gz JQCMPOQVOUUTRT-VEIWZVCTSA-N 0 0 243.350 3.705 20 0 BHADRN C/C=C(\C)C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000751363272 585227532 /nfs/dbraw/zinc/22/75/32/585227532.db2.gz JQCMPOQVOUUTRT-VFJIKVCNSA-N 0 0 243.350 3.705 20 0 BHADRN C/C=C(\C)C(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000751363274 585227571 /nfs/dbraw/zinc/22/75/71/585227571.db2.gz JQCMPOQVOUUTRT-YKAQBRKTSA-N 0 0 243.350 3.705 20 0 BHADRN C/C=C(/C)C(=O)N(CCC(C)C)C1CCCC1 ZINC000751363817 585227400 /nfs/dbraw/zinc/22/74/00/585227400.db2.gz KXCADJYXRPWBHQ-ACAGNQJTSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(\C)C(=O)N(CCC(C)C)C1CCCC1 ZINC000751363818 585227603 /nfs/dbraw/zinc/22/76/03/585227603.db2.gz KXCADJYXRPWBHQ-WLRTZDKTSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(\C)C(=O)N(Cc1ccccc1)CC(C)C ZINC000751363881 585227498 /nfs/dbraw/zinc/22/74/98/585227498.db2.gz NNHFMAXKUGIYHY-LHHJGKSTSA-N 0 0 245.366 3.637 20 0 BHADRN C/C=C(/C)C(=O)N(Cc1ccccc1)CC(C)C ZINC000751363883 585227475 /nfs/dbraw/zinc/22/74/75/585227475.db2.gz NNHFMAXKUGIYHY-RZNTYIFUSA-N 0 0 245.366 3.637 20 0 BHADRN CCN(C(=O)C(C)=C(C)C)c1ccccc1F ZINC000751364304 585227589 /nfs/dbraw/zinc/22/75/89/585227589.db2.gz PSSURWRDXXIOBO-UHFFFAOYSA-N 0 0 235.302 3.535 20 0 BHADRN CC(C)=C(C)C(=O)N(CC(C)C)C1CCCC1 ZINC000751364309 585227490 /nfs/dbraw/zinc/22/74/90/585227490.db2.gz PVZNMPOJWVQZTO-UHFFFAOYSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(\C)C(=O)NC1CCC(CCCC)CC1 ZINC000751364370 583898214 /nfs/dbraw/zinc/89/82/14/583898214.db2.gz WLXHMFWHUARBEV-LFYBBSHMSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(/C)C(=O)NC1CCC(CCCC)CC1 ZINC000751364373 583898351 /nfs/dbraw/zinc/89/83/51/583898351.db2.gz WLXHMFWHUARBEV-XGICHPGQSA-N 0 0 237.387 3.818 20 0 BHADRN CCOc1ccc(NC(=O)C(C)=C(C)C)c(C)c1 ZINC000751364422 585227587 /nfs/dbraw/zinc/22/75/87/585227587.db2.gz NCQGTINGBULKAG-UHFFFAOYSA-N 0 0 247.338 3.689 20 0 BHADRN CC(C)=C(C)C(=O)N(CC1CCCCC1)C1CC1 ZINC000751364428 585227436 /nfs/dbraw/zinc/22/74/36/585227436.db2.gz NHWNGEBYHGLALW-UHFFFAOYSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000751364898 585227715 /nfs/dbraw/zinc/22/77/15/585227715.db2.gz QPFULKIGMZYCBC-AWEZNQCLSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000751364899 585227731 /nfs/dbraw/zinc/22/77/31/585227731.db2.gz QPFULKIGMZYCBC-CQSZACIVSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)=C(C)C(=O)Nc1nc(C(C)C)cs1 ZINC000751364964 585227663 /nfs/dbraw/zinc/22/76/63/585227663.db2.gz QNCCXSCUCHVWLZ-UHFFFAOYSA-N 0 0 238.356 3.561 20 0 BHADRN CC(C)=C(C)C(=O)N1CCc2ccc(Cl)cc21 ZINC000751365206 585227777 /nfs/dbraw/zinc/22/77/77/585227777.db2.gz ZESAJAQYDWITQV-UHFFFAOYSA-N 0 0 249.741 3.585 20 0 BHADRN CCC1CCC(CNC(=O)C(C)=C(C)C)CC1 ZINC000751365649 585227692 /nfs/dbraw/zinc/22/76/92/585227692.db2.gz VWFCOTOXBMUYAG-UHFFFAOYSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)=C(C)C(=O)NCC1CCCCCCC1 ZINC000751365658 585227720 /nfs/dbraw/zinc/22/77/20/585227720.db2.gz VYYNBGVHUJCMCX-UHFFFAOYSA-N 0 0 237.387 3.819 20 0 BHADRN CC(C)=C(C)C(=O)N(C)c1cc(C)ccc1C ZINC000751365915 711785154 /nfs/dbraw/zinc/78/51/54/711785154.db2.gz ZQBKPWKOIHTBJG-UHFFFAOYSA-N 0 0 231.339 3.623 20 0 BHADRN CC(C)=C(C)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000751365930 585227850 /nfs/dbraw/zinc/22/78/50/585227850.db2.gz ZYUPKEGOJDCETG-UHFFFAOYSA-N 0 0 231.339 3.623 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000751366346 585227659 /nfs/dbraw/zinc/22/76/59/585227659.db2.gz YEJHKVWLYRCBDV-BTLPXRKTSA-N 0 0 249.398 3.914 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000751366347 585227664 /nfs/dbraw/zinc/22/76/64/585227664.db2.gz YEJHKVWLYRCBDV-JMFZVXOESA-N 0 0 249.398 3.914 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000751366348 585227825 /nfs/dbraw/zinc/22/78/25/585227825.db2.gz YEJHKVWLYRCBDV-NKHYGLGHSA-N 0 0 249.398 3.914 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000751366349 585227756 /nfs/dbraw/zinc/22/77/56/585227756.db2.gz YEJHKVWLYRCBDV-TVBJEHIUSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)=C(C)C(=O)NCC[C@@H](C)c1ccccc1 ZINC000751366625 585227628 /nfs/dbraw/zinc/22/76/28/585227628.db2.gz MVQNBZALVLZUOG-CYBMUJFWSA-N 0 0 245.366 3.653 20 0 BHADRN CC(C)=C(C)C(=O)NCC[C@H](C)c1ccccc1 ZINC000751366626 585227669 /nfs/dbraw/zinc/22/76/69/585227669.db2.gz MVQNBZALVLZUOG-ZDUSSCGKSA-N 0 0 245.366 3.653 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cccc(C(F)F)c1 ZINC000751366950 585227654 /nfs/dbraw/zinc/22/76/54/585227654.db2.gz BCGQVQNVBMJBNZ-UHFFFAOYSA-N 0 0 239.265 3.919 20 0 BHADRN CC[C@H](NC(=O)C(C)=C(C)C)C1CCCCC1 ZINC000751367852 585227661 /nfs/dbraw/zinc/22/76/61/585227661.db2.gz RMMPAOJMCABOEW-AWEZNQCLSA-N 0 0 237.387 3.818 20 0 BHADRN CC[C@@H](NC(=O)C(C)=C(C)C)C1CCCCC1 ZINC000751367854 585227914 /nfs/dbraw/zinc/22/79/14/585227914.db2.gz RMMPAOJMCABOEW-CQSZACIVSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc2scnc2c1 ZINC000751368122 585227884 /nfs/dbraw/zinc/22/78/84/585227884.db2.gz XQPDDNSGSZJQQZ-UHFFFAOYSA-N 0 0 246.335 3.591 20 0 BHADRN CCC(CC)N(C(=O)C(C)=C(C)C)C1CC1 ZINC000751370441 585228103 /nfs/dbraw/zinc/22/81/03/585228103.db2.gz RRGNXBMBPUIMKN-UHFFFAOYSA-N 0 0 223.360 3.522 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C ZINC000751370836 585227982 /nfs/dbraw/zinc/22/79/82/585227982.db2.gz FOJZZUZURSHOHY-KDHQJITESA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C ZINC000751371189 585227944 /nfs/dbraw/zinc/22/79/44/585227944.db2.gz FOJZZUZURSHOHY-ODYZYYDOSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C ZINC000751371190 585228093 /nfs/dbraw/zinc/22/80/93/585228093.db2.gz FOJZZUZURSHOHY-SNBRUFEUSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C ZINC000751371191 585228029 /nfs/dbraw/zinc/22/80/29/585228029.db2.gz FOJZZUZURSHOHY-WWRZCIAWSA-N 0 0 237.387 3.674 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1NC(=O)C(C)=C(C)C ZINC000751371254 585228060 /nfs/dbraw/zinc/22/80/60/585228060.db2.gz GNDSAJJSNQPQON-KBPBESRZSA-N 0 0 237.387 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1NC(=O)C(C)=C(C)C ZINC000751371258 585227976 /nfs/dbraw/zinc/22/79/76/585227976.db2.gz GNDSAJJSNQPQON-KGLIPLIRSA-N 0 0 237.387 3.818 20 0 BHADRN CCC[C@H]1CCCC[C@H]1NC(=O)C(C)=C(C)C ZINC000751371263 585227917 /nfs/dbraw/zinc/22/79/17/585227917.db2.gz GNDSAJJSNQPQON-UONOGXRCSA-N 0 0 237.387 3.818 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1NC(=O)C(C)=C(C)C ZINC000751371267 585227889 /nfs/dbraw/zinc/22/78/89/585227889.db2.gz GNDSAJJSNQPQON-ZIAGYGMSSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cc(F)ccc1Cl ZINC000751371301 585227919 /nfs/dbraw/zinc/22/79/19/585227919.db2.gz GTTPBWBFBYQNHH-UHFFFAOYSA-N 0 0 241.693 3.774 20 0 BHADRN CSc1cccc(N(C)C(=O)C(C)=C(C)C)c1 ZINC000751371694 585228026 /nfs/dbraw/zinc/22/80/26/585228026.db2.gz YMCZQCKULSZMLS-UHFFFAOYSA-N 0 0 249.379 3.728 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](CCC)C1CCCCC1 ZINC000751372364 585227916 /nfs/dbraw/zinc/22/79/16/585227916.db2.gz LFJCOXMJNVGRED-CLUXPMKYSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](CCC)C1CCCCC1 ZINC000751372367 585227957 /nfs/dbraw/zinc/22/79/57/585227957.db2.gz LFJCOXMJNVGRED-IMBBRHANSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](CCC)C1CCCCC1 ZINC000751372370 585227979 /nfs/dbraw/zinc/22/79/79/585227979.db2.gz LFJCOXMJNVGRED-VDFGQWLZSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](CCC)C1CCCCC1 ZINC000751372373 585227974 /nfs/dbraw/zinc/22/79/74/585227974.db2.gz LFJCOXMJNVGRED-WTKLMOFPSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000751375331 585228188 /nfs/dbraw/zinc/22/81/88/585228188.db2.gz CURCBZJVSHAANR-KBPBESRZSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000751375332 585228207 /nfs/dbraw/zinc/22/82/07/585228207.db2.gz CURCBZJVSHAANR-KGLIPLIRSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000751375333 585228344 /nfs/dbraw/zinc/22/83/44/585228344.db2.gz CURCBZJVSHAANR-UONOGXRCSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000751375334 585228311 /nfs/dbraw/zinc/22/83/11/585228311.db2.gz CURCBZJVSHAANR-ZIAGYGMSSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000751375949 585228206 /nfs/dbraw/zinc/22/82/06/585228206.db2.gz APXXPOSDJJOSBQ-KBPBESRZSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000751375950 585228313 /nfs/dbraw/zinc/22/83/13/585228313.db2.gz APXXPOSDJJOSBQ-KGLIPLIRSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000751375951 585228131 /nfs/dbraw/zinc/22/81/31/585228131.db2.gz APXXPOSDJJOSBQ-UONOGXRCSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000751375952 585228325 /nfs/dbraw/zinc/22/83/25/585228325.db2.gz APXXPOSDJJOSBQ-ZIAGYGMSSA-N 0 0 237.387 3.674 20 0 BHADRN CSCc1ccc(NC(=O)C(C)=C(C)C)cc1 ZINC000751376169 585228105 /nfs/dbraw/zinc/22/81/05/585228105.db2.gz IBNJDDLCUNBCDE-UHFFFAOYSA-N 0 0 249.379 3.844 20 0 BHADRN CC(C)=C(C)C(=O)NCCCCC(C)(C)C ZINC000751376272 585228251 /nfs/dbraw/zinc/22/82/51/585228251.db2.gz YIHHIXHWSFSWNX-UHFFFAOYSA-N 0 0 225.376 3.675 20 0 BHADRN CC(C)=C(C)C(=O)NC(CC(C)C)CC(C)C ZINC000751376562 585228252 /nfs/dbraw/zinc/22/82/52/585228252.db2.gz JEXNMJPYEFIYRJ-UHFFFAOYSA-N 0 0 239.403 3.920 20 0 BHADRN CCN(C(=O)C(C)=C(C)C)[C@@H]1CCCC[C@@H]1C ZINC000751376565 585228172 /nfs/dbraw/zinc/22/81/72/585228172.db2.gz MVVJLYWTJNLXBI-GXTWGEPZSA-N 0 0 237.387 3.770 20 0 BHADRN CCN(C(=O)C(C)=C(C)C)[C@H]1CCCC[C@@H]1C ZINC000751376567 585228264 /nfs/dbraw/zinc/22/82/64/585228264.db2.gz MVVJLYWTJNLXBI-JSGCOSHPSA-N 0 0 237.387 3.770 20 0 BHADRN CCN(C(=O)C(C)=C(C)C)[C@H]1CCCC[C@H]1C ZINC000751376569 585228235 /nfs/dbraw/zinc/22/82/35/585228235.db2.gz MVVJLYWTJNLXBI-OCCSQVGLSA-N 0 0 237.387 3.770 20 0 BHADRN CCN(C(=O)C(C)=C(C)C)[C@@H]1CCCC[C@H]1C ZINC000751376571 585228204 /nfs/dbraw/zinc/22/82/04/585228204.db2.gz MVVJLYWTJNLXBI-TZMCWYRMSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)=C(C)C(=O)N(CC1CC1)C1CCCCC1 ZINC000751377140 585228174 /nfs/dbraw/zinc/22/81/74/585228174.db2.gz UCKWDSMFGIRGBK-UHFFFAOYSA-N 0 0 249.398 3.914 20 0 BHADRN CCOc1cc(NC(=O)C(C)=C(C)C)ccc1C ZINC000751377240 585228144 /nfs/dbraw/zinc/22/81/44/585228144.db2.gz WSQFDFRIXLJXRS-UHFFFAOYSA-N 0 0 247.338 3.689 20 0 BHADRN CC(C)=C(C)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000751377417 585228624 /nfs/dbraw/zinc/22/86/24/585228624.db2.gz YILZUJLIIXOPNG-CYBMUJFWSA-N 0 0 245.366 3.605 20 0 BHADRN CC(C)=C(C)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000751377418 585228615 /nfs/dbraw/zinc/22/86/15/585228615.db2.gz YILZUJLIIXOPNG-ZDUSSCGKSA-N 0 0 245.366 3.605 20 0 BHADRN C/C=C(/C)C(=O)NC(CC(C)C)CC(C)C ZINC000751377502 585228531 /nfs/dbraw/zinc/22/85/31/585228531.db2.gz XHSHLGDNHBIMEV-GHXNOFRVSA-N 0 0 225.376 3.530 20 0 BHADRN C/C=C(\C)C(=O)NC(CC(C)C)CC(C)C ZINC000751377503 585228441 /nfs/dbraw/zinc/22/84/41/585228441.db2.gz XHSHLGDNHBIMEV-KPKJPENVSA-N 0 0 225.376 3.530 20 0 BHADRN CC(C)=C(C)C(=O)NC(C)(C)c1ccc(F)cc1 ZINC000751377664 585228639 /nfs/dbraw/zinc/22/86/39/585228639.db2.gz ZXVSBAPBIVXQHT-UHFFFAOYSA-N 0 0 249.329 3.533 20 0 BHADRN CCCCN(C(=O)C(C)=C(C)C)[C@H](C)CC ZINC000751378389 585228640 /nfs/dbraw/zinc/22/86/40/585228640.db2.gz SADNREQRJZXHCS-GFCCVEGCSA-N 0 0 225.376 3.770 20 0 BHADRN CCCCN(C(=O)C(C)=C(C)C)[C@@H](C)CC ZINC000751378390 585228566 /nfs/dbraw/zinc/22/85/66/585228566.db2.gz SADNREQRJZXHCS-LBPRGKRZSA-N 0 0 225.376 3.770 20 0 BHADRN CC[C@](C)(NC(=O)C(C)=C(C)C)c1ccccc1 ZINC000751378483 585228516 /nfs/dbraw/zinc/22/85/16/585228516.db2.gz KEBWVBLBCFOZIX-INIZCTEOSA-N 0 0 245.366 3.784 20 0 BHADRN CC[C@@](C)(NC(=O)C(C)=C(C)C)c1ccccc1 ZINC000751378485 585228511 /nfs/dbraw/zinc/22/85/11/585228511.db2.gz KEBWVBLBCFOZIX-MRXNPFEDSA-N 0 0 245.366 3.784 20 0 BHADRN CC(C)=C(C)C(=O)N1CCCC2(CCCCC2)C1 ZINC000751378702 585228638 /nfs/dbraw/zinc/22/86/38/585228638.db2.gz KLCWAAFNZCAMIA-UHFFFAOYSA-N 0 0 249.398 3.916 20 0 BHADRN CSc1ccc(N(C)C(=O)C(C)=C(C)C)cc1 ZINC000751379473 585228492 /nfs/dbraw/zinc/22/84/92/585228492.db2.gz RICGERNGAPJQOC-UHFFFAOYSA-N 0 0 249.379 3.728 20 0 BHADRN C/C=C(\C)C(=O)N1CCCC2(CCCCC2)C1 ZINC000751379860 585228520 /nfs/dbraw/zinc/22/85/20/585228520.db2.gz WQZKBJRZNGWTHS-QLKAYGNNSA-N 0 0 235.371 3.526 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000751380971 585228654 /nfs/dbraw/zinc/22/86/54/585228654.db2.gz ILMLJOXDLMWFDK-AWEZNQCLSA-N 0 0 245.366 3.837 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000751380972 585228706 /nfs/dbraw/zinc/22/87/06/585228706.db2.gz ILMLJOXDLMWFDK-CQSZACIVSA-N 0 0 245.366 3.837 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000751381005 585228664 /nfs/dbraw/zinc/22/86/64/585228664.db2.gz JIFXVTVSKRAXNJ-AWEZNQCLSA-N 0 0 237.387 3.627 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000751381007 585228805 /nfs/dbraw/zinc/22/88/05/585228805.db2.gz JIFXVTVSKRAXNJ-CQSZACIVSA-N 0 0 237.387 3.627 20 0 BHADRN CC(C)=C(C)C(=O)NCC[C@H]1CCCC[C@@H]1C ZINC000751381059 585228715 /nfs/dbraw/zinc/22/87/15/585228715.db2.gz LGSDJSSHDPLXLJ-GXTWGEPZSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)=C(C)C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000751381060 585228681 /nfs/dbraw/zinc/22/86/81/585228681.db2.gz LGSDJSSHDPLXLJ-JSGCOSHPSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)=C(C)C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000751381689 585228808 /nfs/dbraw/zinc/22/88/08/585228808.db2.gz MJGLYWQFTFCDGB-GXTWGEPZSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)=C(C)C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000751381690 585228816 /nfs/dbraw/zinc/22/88/16/585228816.db2.gz MJGLYWQFTFCDGB-JSGCOSHPSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)=C(C)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000751381692 585228672 /nfs/dbraw/zinc/22/86/72/585228672.db2.gz MJGLYWQFTFCDGB-OCCSQVGLSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)=C(C)C(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000751381693 585228802 /nfs/dbraw/zinc/22/88/02/585228802.db2.gz MJGLYWQFTFCDGB-TZMCWYRMSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000751381704 585228817 /nfs/dbraw/zinc/22/88/17/585228817.db2.gz MQYFBJGULRFFHJ-INIZCTEOSA-N 0 0 247.382 3.692 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000751381705 585228845 /nfs/dbraw/zinc/22/88/45/585228845.db2.gz MQYFBJGULRFFHJ-MRXNPFEDSA-N 0 0 247.382 3.692 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](C)CCC1CCCCC1 ZINC000751381775 585228825 /nfs/dbraw/zinc/22/88/25/585228825.db2.gz OBBBFUQCHCXMJW-TWEXNZEWSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000751381777 585228770 /nfs/dbraw/zinc/22/87/70/585228770.db2.gz OBBBFUQCHCXMJW-VEIWZVCTSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000751381778 585228819 /nfs/dbraw/zinc/22/88/19/585228819.db2.gz OBBBFUQCHCXMJW-VFJIKVCNSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](C)CCC1CCCCC1 ZINC000751381780 585228701 /nfs/dbraw/zinc/22/87/01/585228701.db2.gz OBBBFUQCHCXMJW-YKAQBRKTSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(/C)C(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000751382375 585228764 /nfs/dbraw/zinc/22/87/64/585228764.db2.gz JFDIEIKWHOCQIT-UITAMQMPSA-N 0 0 237.730 3.577 20 0 BHADRN C/C=C(\C)C(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000751382376 585228687 /nfs/dbraw/zinc/22/86/87/585228687.db2.gz JFDIEIKWHOCQIT-WEVVVXLNSA-N 0 0 237.730 3.577 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000751382806 585228669 /nfs/dbraw/zinc/22/86/69/585228669.db2.gz YOBYFCGTKYFQFJ-FSBNRTBOSA-N 0 0 239.403 3.920 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000751382807 585228739 /nfs/dbraw/zinc/22/87/39/585228739.db2.gz YOBYFCGTKYFQFJ-LLBKUYECSA-N 0 0 239.403 3.920 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000751382808 585228716 /nfs/dbraw/zinc/22/87/16/585228716.db2.gz YOBYFCGTKYFQFJ-RPHSKFLZSA-N 0 0 239.403 3.920 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000751382809 585228683 /nfs/dbraw/zinc/22/86/83/585228683.db2.gz YOBYFCGTKYFQFJ-YQCJOKCJSA-N 0 0 239.403 3.920 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000751383816 585228797 /nfs/dbraw/zinc/22/87/97/585228797.db2.gz CMAXAGFCEXVTAW-UHFFFAOYSA-N 0 0 237.387 3.627 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000751384464 585228923 /nfs/dbraw/zinc/22/89/23/585228923.db2.gz JROZIWFLSDBTSW-MVXISAMASA-N 0 0 237.387 3.627 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000751384465 585228907 /nfs/dbraw/zinc/22/89/07/585228907.db2.gz JROZIWFLSDBTSW-TZQNSNDFSA-N 0 0 237.387 3.627 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000751384466 585228950 /nfs/dbraw/zinc/22/89/50/585228950.db2.gz JROZIWFLSDBTSW-UWUHSAQLSA-N 0 0 237.387 3.627 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000751384467 585228930 /nfs/dbraw/zinc/22/89/30/585228930.db2.gz JROZIWFLSDBTSW-XEVNVYFWSA-N 0 0 237.387 3.627 20 0 BHADRN CC(C)=C(C)C(=O)Oc1ccc(OC(C)C)cc1 ZINC000751385099 585228926 /nfs/dbraw/zinc/22/89/26/585228926.db2.gz NTHMROHFIOZTGR-UHFFFAOYSA-N 0 0 248.322 3.736 20 0 BHADRN C/C=C(/C)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000751385186 585229102 /nfs/dbraw/zinc/22/91/02/585229102.db2.gz OYJMXZNVSLJOPM-BASWHVEKSA-N 0 0 249.398 3.818 20 0 BHADRN C/C=C(\C)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000751385187 585229117 /nfs/dbraw/zinc/22/91/17/585229117.db2.gz OYJMXZNVSLJOPM-KGVSQERTSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000751385662 585229112 /nfs/dbraw/zinc/22/91/12/585229112.db2.gz FYQREZWJEUOKIN-LLVKDONJSA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000751385663 585229054 /nfs/dbraw/zinc/22/90/54/585229054.db2.gz FYQREZWJEUOKIN-NSHDSACASA-N 0 0 225.376 3.674 20 0 BHADRN CC[C@H](C)[C@H]1CCCCN1C(=O)C(C)=C(C)C ZINC000751386831 585228908 /nfs/dbraw/zinc/22/89/08/585228908.db2.gz OVWIWCZLFCPLDD-GXTWGEPZSA-N 0 0 237.387 3.770 20 0 BHADRN CC[C@H](C)[C@@H]1CCCCN1C(=O)C(C)=C(C)C ZINC000751386832 585229053 /nfs/dbraw/zinc/22/90/53/585229053.db2.gz OVWIWCZLFCPLDD-JSGCOSHPSA-N 0 0 237.387 3.770 20 0 BHADRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)C(C)=C(C)C ZINC000751386834 585229143 /nfs/dbraw/zinc/22/91/43/585229143.db2.gz OVWIWCZLFCPLDD-OCCSQVGLSA-N 0 0 237.387 3.770 20 0 BHADRN CC[C@@H](C)[C@H]1CCCCN1C(=O)C(C)=C(C)C ZINC000751387104 585229079 /nfs/dbraw/zinc/22/90/79/585229079.db2.gz OVWIWCZLFCPLDD-TZMCWYRMSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)=C(C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000751387191 585229266 /nfs/dbraw/zinc/22/92/66/585229266.db2.gz RNZMLTRWGZLHTK-CYBMUJFWSA-N 0 0 245.366 3.571 20 0 BHADRN CC(C)=C(C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000751387192 585229186 /nfs/dbraw/zinc/22/91/86/585229186.db2.gz RNZMLTRWGZLHTK-ZDUSSCGKSA-N 0 0 245.366 3.571 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC2(CCCC2)CC1 ZINC000751387223 585229168 /nfs/dbraw/zinc/22/91/68/585229168.db2.gz TUJOHARIYDVZCR-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CC[C@@H]1CCCCCN1C(=O)C(C)=C(C)C ZINC000751389056 585229189 /nfs/dbraw/zinc/22/91/89/585229189.db2.gz JKPIUPXEXTYZBB-CYBMUJFWSA-N 0 0 223.360 3.524 20 0 BHADRN CC[C@H]1CCCCCN1C(=O)C(C)=C(C)C ZINC000751389057 585229376 /nfs/dbraw/zinc/22/93/76/585229376.db2.gz JKPIUPXEXTYZBB-ZDUSSCGKSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C(\C)C(=O)N1CCCCC[C@@H]1CC(C)C ZINC000751392686 585229278 /nfs/dbraw/zinc/22/92/78/585229278.db2.gz ZPXPGVFWNRILHP-BRRGFWCPSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(\C)C(=O)N1CCCCC[C@H]1CC(C)C ZINC000751392687 585229285 /nfs/dbraw/zinc/22/92/85/585229285.db2.gz ZPXPGVFWNRILHP-GUVYXZIWSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(/C)C(=O)N1CCCCC[C@@H]1CC(C)C ZINC000751392688 585229164 /nfs/dbraw/zinc/22/91/64/585229164.db2.gz ZPXPGVFWNRILHP-MECSIWFOSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(/C)C(=O)N1CCCCC[C@H]1CC(C)C ZINC000751392689 585229214 /nfs/dbraw/zinc/22/92/14/585229214.db2.gz ZPXPGVFWNRILHP-UUSOHVMFSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)=C(C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000751393090 583902906 /nfs/dbraw/zinc/90/29/06/583902906.db2.gz UIHNNWNWYAZDJB-CYBMUJFWSA-N 0 0 245.366 3.571 20 0 BHADRN CC(C)=C(C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000751393091 583902695 /nfs/dbraw/zinc/90/26/95/583902695.db2.gz UIHNNWNWYAZDJB-ZDUSSCGKSA-N 0 0 245.366 3.571 20 0 BHADRN C/C=C(\C)C(=O)Nc1cccc(CSCC)c1 ZINC000751393929 585229430 /nfs/dbraw/zinc/22/94/30/585229430.db2.gz ZASYRCBPGOEOAL-NYYWCZLTSA-N 0 0 249.379 3.844 20 0 BHADRN C/C=C(/C)C(=O)Nc1cccc(CSCC)c1 ZINC000751393931 585229512 /nfs/dbraw/zinc/22/95/12/585229512.db2.gz ZASYRCBPGOEOAL-WCIBSUBMSA-N 0 0 249.379 3.844 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC2(C1)CCCCC2 ZINC000751394548 585229593 /nfs/dbraw/zinc/22/95/93/585229593.db2.gz HFXLZGBSANFJFI-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000751395204 585229464 /nfs/dbraw/zinc/22/94/64/585229464.db2.gz NRRQRLSZKJIERV-ACQQSFGKSA-N 0 0 243.350 3.610 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000751395205 585229505 /nfs/dbraw/zinc/22/95/05/585229505.db2.gz NRRQRLSZKJIERV-COHQTCMYSA-N 0 0 243.350 3.610 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000751395206 585229555 /nfs/dbraw/zinc/22/95/55/585229555.db2.gz NRRQRLSZKJIERV-GLDPUFHNSA-N 0 0 243.350 3.610 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000751395207 585229588 /nfs/dbraw/zinc/22/95/88/585229588.db2.gz NRRQRLSZKJIERV-NEDLJVEISA-N 0 0 243.350 3.610 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ncc(C(C)C)s1 ZINC000751398761 585229470 /nfs/dbraw/zinc/22/94/70/585229470.db2.gz DAWUNMYARWIGDJ-UHFFFAOYSA-N 0 0 238.356 3.561 20 0 BHADRN CC(C)=C(C)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000751402207 585229818 /nfs/dbraw/zinc/22/98/18/585229818.db2.gz JTDOHUAQRISZBP-DOMZBBRYSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)=C(C)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000751402208 585229774 /nfs/dbraw/zinc/22/97/74/585229774.db2.gz JTDOHUAQRISZBP-IUODEOHRSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)=C(C)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000751402209 585229707 /nfs/dbraw/zinc/22/97/07/585229707.db2.gz JTDOHUAQRISZBP-SWLSCSKDSA-N 0 0 243.350 3.562 20 0 BHADRN CC(C)=C(C)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000751402210 585229786 /nfs/dbraw/zinc/22/97/86/585229786.db2.gz JTDOHUAQRISZBP-WFASDCNBSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(/C)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000751402238 585229718 /nfs/dbraw/zinc/22/97/18/585229718.db2.gz KQTZBXSGODCBPJ-BNNQUZSASA-N 0 0 249.398 3.916 20 0 BHADRN C/C=C(\C)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000751402239 585229826 /nfs/dbraw/zinc/22/98/26/585229826.db2.gz KQTZBXSGODCBPJ-LZWSPWQCSA-N 0 0 249.398 3.916 20 0 BHADRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)C(C)=C(C)C ZINC000751402514 585229310 /nfs/dbraw/zinc/22/93/10/585229310.db2.gz NCORSFVVWSWCSH-GXTWGEPZSA-N 0 0 237.387 3.770 20 0 BHADRN CCC[C@H]1[C@@H](C)CCCN1C(=O)C(C)=C(C)C ZINC000751402515 585229156 /nfs/dbraw/zinc/22/91/56/585229156.db2.gz NCORSFVVWSWCSH-JSGCOSHPSA-N 0 0 237.387 3.770 20 0 BHADRN CCC[C@H]1[C@H](C)CCCN1C(=O)C(C)=C(C)C ZINC000751402516 585229211 /nfs/dbraw/zinc/22/92/11/585229211.db2.gz NCORSFVVWSWCSH-OCCSQVGLSA-N 0 0 237.387 3.770 20 0 BHADRN CCC[C@@H]1[C@H](C)CCCN1C(=O)C(C)=C(C)C ZINC000751402517 585229237 /nfs/dbraw/zinc/22/92/37/585229237.db2.gz NCORSFVVWSWCSH-TZMCWYRMSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)=C(C)C(=O)NCCCCC1CCCC1 ZINC000751402899 585229704 /nfs/dbraw/zinc/22/97/04/585229704.db2.gz QVLWARPNJRIEOZ-UHFFFAOYSA-N 0 0 237.387 3.819 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC(C2CCCC2)CC1 ZINC000751404007 585229695 /nfs/dbraw/zinc/22/96/95/585229695.db2.gz XSPBZMYRNHDPNT-UHFFFAOYSA-N 0 0 249.398 3.772 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)C(C)=C(C)C ZINC000751405353 585229963 /nfs/dbraw/zinc/22/99/63/585229963.db2.gz HNGDZYUFYULZQR-CYBMUJFWSA-N 0 0 225.376 3.818 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C(C)=C(C)C ZINC000751405355 585229675 /nfs/dbraw/zinc/22/96/75/585229675.db2.gz HNGDZYUFYULZQR-ZDUSSCGKSA-N 0 0 225.376 3.818 20 0 BHADRN CCC[C@@]1(C)CCCN(C(=O)C(C)=C(C)C)C1 ZINC000751405751 585230000 /nfs/dbraw/zinc/23/00/00/585230000.db2.gz LQDAGSPHQMCALV-HNNXBMFYSA-N 0 0 237.387 3.772 20 0 BHADRN CCC[C@]1(C)CCCN(C(=O)C(C)=C(C)C)C1 ZINC000751405753 585229965 /nfs/dbraw/zinc/22/99/65/585229965.db2.gz LQDAGSPHQMCALV-OAHLLOKOSA-N 0 0 237.387 3.772 20 0 BHADRN C/C=C(/C)C(=O)N(CC(C)C)C(CC)CC ZINC000751406092 583903669 /nfs/dbraw/zinc/90/36/69/583903669.db2.gz JHXKOXJABKOOMD-GHXNOFRVSA-N 0 0 225.376 3.626 20 0 BHADRN C/C=C(\C)C(=O)N(CC(C)C)C(CC)CC ZINC000751406093 583903640 /nfs/dbraw/zinc/90/36/40/583903640.db2.gz JHXKOXJABKOOMD-KPKJPENVSA-N 0 0 225.376 3.626 20 0 BHADRN CSc1ccccc1N(C)C(=O)C(C)=C(C)C ZINC000751407368 585229982 /nfs/dbraw/zinc/22/99/82/585229982.db2.gz RSZYWGNELBRHLP-UHFFFAOYSA-N 0 0 249.379 3.728 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000751407797 585229917 /nfs/dbraw/zinc/22/99/17/585229917.db2.gz SBKBGKRGSABTRB-AAEUAGOBSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000751407799 585229879 /nfs/dbraw/zinc/22/98/79/585229879.db2.gz SBKBGKRGSABTRB-DGCLKSJQSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000751407800 585229881 /nfs/dbraw/zinc/22/98/81/585229881.db2.gz SBKBGKRGSABTRB-WCQYABFASA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000751407802 585230017 /nfs/dbraw/zinc/23/00/17/585230017.db2.gz SBKBGKRGSABTRB-YPMHNXCESA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000751408458 585229892 /nfs/dbraw/zinc/22/98/92/585229892.db2.gz WFIIZXLATDHXGD-KBPBESRZSA-N 0 0 245.366 3.651 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000751408460 585230074 /nfs/dbraw/zinc/23/00/74/585230074.db2.gz WFIIZXLATDHXGD-KGLIPLIRSA-N 0 0 245.366 3.651 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000751408464 585229863 /nfs/dbraw/zinc/22/98/63/585229863.db2.gz WFIIZXLATDHXGD-UONOGXRCSA-N 0 0 245.366 3.651 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000751408466 585229966 /nfs/dbraw/zinc/22/99/66/585229966.db2.gz WFIIZXLATDHXGD-ZIAGYGMSSA-N 0 0 245.366 3.651 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cccc(C)c1Cl ZINC000751408804 585229943 /nfs/dbraw/zinc/22/99/43/585229943.db2.gz RYQGXOXUENRNGK-UHFFFAOYSA-N 0 0 237.730 3.943 20 0 BHADRN CS/C=C/C(=O)Nc1ccc(C(C)C)cc1 ZINC000751456910 585230522 /nfs/dbraw/zinc/23/05/22/585230522.db2.gz CZEJDBVXHXXLEM-CMDGGOBGSA-N 0 0 235.352 3.625 20 0 BHADRN CS/C=C\C(=O)Nc1ccc(C(C)C)cc1 ZINC000751456911 585230491 /nfs/dbraw/zinc/23/04/91/585230491.db2.gz CZEJDBVXHXXLEM-HJWRWDBZSA-N 0 0 235.352 3.625 20 0 BHADRN CCCCc1ccc(NC(=O)/C=C\SC)cc1 ZINC000751456938 585230514 /nfs/dbraw/zinc/23/05/14/585230514.db2.gz DTBCSRVEGGGVJR-KHPPLWFESA-N 0 0 249.379 3.844 20 0 BHADRN CS/C=C\C(=O)Nc1cccc(C(C)C)c1 ZINC000751457104 585230414 /nfs/dbraw/zinc/23/04/14/585230414.db2.gz DJEQJGDMMMKVDV-FPLPWBNLSA-N 0 0 235.352 3.625 20 0 BHADRN CS/C=C\C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000751458651 585230659 /nfs/dbraw/zinc/23/06/59/585230659.db2.gz WZFCYXXONVCGHI-KTKRTIGZSA-N 0 0 249.379 3.799 20 0 BHADRN CS/C=C\C(=O)Nc1ccccc1C(C)C ZINC000751459764 585230765 /nfs/dbraw/zinc/23/07/65/585230765.db2.gz WSFGFVRMULMXTM-HJWRWDBZSA-N 0 0 235.352 3.625 20 0 BHADRN CS/C=C\C(=O)Nc1cccc2ccccc21 ZINC000751461138 585230893 /nfs/dbraw/zinc/23/08/93/585230893.db2.gz XTHNOMPRLJUXMH-KTKRTIGZSA-N 0 0 243.331 3.655 20 0 BHADRN CS/C=C\C(=O)N(C)c1cccc(C(C)C)c1 ZINC000751464681 585230826 /nfs/dbraw/zinc/23/08/26/585230826.db2.gz UDFOZMUQQZUCNT-HJWRWDBZSA-N 0 0 249.379 3.650 20 0 BHADRN CC(C)(C)C(=O)CSCCc1cccs1 ZINC000751469949 585231186 /nfs/dbraw/zinc/23/11/86/585231186.db2.gz DNZXLUVLTLVKLL-UHFFFAOYSA-N 0 0 242.409 3.639 20 0 BHADRN CCCCCCSCC(=O)C(C)(C)C ZINC000751470415 585230205 /nfs/dbraw/zinc/23/02/05/585230205.db2.gz KWXDGDJVFVZCKI-UHFFFAOYSA-N 0 0 216.390 3.915 20 0 BHADRN CC1(C)CCC(=CC(=O)N2CCCCC2)CC1 ZINC000751523335 585231707 /nfs/dbraw/zinc/23/17/07/585231707.db2.gz MARWYXYMDMDRBK-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CC1(C)C[C@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000751526602 585231739 /nfs/dbraw/zinc/23/17/39/585231739.db2.gz ZMAMNRVBBFDHEC-AWEZNQCLSA-N 0 0 239.318 3.824 20 0 BHADRN CC1(C)C[C@@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000751526604 585231749 /nfs/dbraw/zinc/23/17/49/585231749.db2.gz ZMAMNRVBBFDHEC-CQSZACIVSA-N 0 0 239.318 3.824 20 0 BHADRN CS/C=C\C(=O)NCCCCCCC(C)C ZINC000751534888 585232194 /nfs/dbraw/zinc/23/21/94/585232194.db2.gz ZXWHBRDIAYBBDG-LUAWRHEFSA-N 0 0 243.416 3.586 20 0 BHADRN CS/C=C/C(=O)NCCCCCCC(C)C ZINC000751534892 585232211 /nfs/dbraw/zinc/23/22/11/585232211.db2.gz ZXWHBRDIAYBBDG-PKNBQFBNSA-N 0 0 243.416 3.586 20 0 BHADRN CCC(CC)NC(=O)C=C1CCC(C)(C)CC1 ZINC000751538374 585232456 /nfs/dbraw/zinc/23/24/56/585232456.db2.gz IDVLAZYYWDFZEG-UHFFFAOYSA-N 0 0 237.387 3.818 20 0 BHADRN CC1(C)CCC(=CC(=O)NC2CCCC2)CC1 ZINC000751538876 585232357 /nfs/dbraw/zinc/23/23/57/585232357.db2.gz QJJROLMAZLXECM-UHFFFAOYSA-N 0 0 235.371 3.572 20 0 BHADRN CS/C=C/C(=O)Nc1ccc2ccccc2c1 ZINC000751557925 585232425 /nfs/dbraw/zinc/23/24/25/585232425.db2.gz JRXYFXVROVCCCT-CMDGGOBGSA-N 0 0 243.331 3.655 20 0 BHADRN CS/C=C\C(=O)Nc1ccc2ccccc2c1 ZINC000751557926 585232369 /nfs/dbraw/zinc/23/23/69/585232369.db2.gz JRXYFXVROVCCCT-HJWRWDBZSA-N 0 0 243.331 3.655 20 0 BHADRN CC1(C)C[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000751558000 585232439 /nfs/dbraw/zinc/23/24/39/585232439.db2.gz PMCSRZRZRBXATF-JTQLQIEISA-N 0 0 248.713 3.904 20 0 BHADRN CC1(C)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000751558001 585232397 /nfs/dbraw/zinc/23/23/97/585232397.db2.gz PMPJHZSVDSSFIZ-JTQLQIEISA-N 0 0 248.713 3.904 20 0 BHADRN C[C@@H](S[C@@H]1CCCOC1)c1cccs1 ZINC000751558467 585232460 /nfs/dbraw/zinc/23/24/60/585232460.db2.gz WJKKULQQVRLUHK-NXEZZACHSA-N 0 0 228.382 3.721 20 0 BHADRN C[C@H](S[C@H]1CCCOC1)c1cccs1 ZINC000751558468 585232515 /nfs/dbraw/zinc/23/25/15/585232515.db2.gz WJKKULQQVRLUHK-UWVGGRQHSA-N 0 0 228.382 3.721 20 0 BHADRN C[C@H](S[C@@H]1CCCOC1)c1cccs1 ZINC000751558469 585232487 /nfs/dbraw/zinc/23/24/87/585232487.db2.gz WJKKULQQVRLUHK-VHSXEESVSA-N 0 0 228.382 3.721 20 0 BHADRN C[C@@H](S[C@H]1CCCOC1)c1cccs1 ZINC000751558487 585232445 /nfs/dbraw/zinc/23/24/45/585232445.db2.gz WJKKULQQVRLUHK-ZJUUUORDSA-N 0 0 228.382 3.721 20 0 BHADRN CCc1cccc(CC)c1NC(=O)/C=C\SC ZINC000751561179 585232657 /nfs/dbraw/zinc/23/26/57/585232657.db2.gz IDCATJQXFRVCTO-KTKRTIGZSA-N 0 0 249.379 3.627 20 0 BHADRN CCc1cccc(CC)c1NC(=O)/C=C/SC ZINC000751561182 585232731 /nfs/dbraw/zinc/23/27/31/585232731.db2.gz IDCATJQXFRVCTO-MDZDMXLPSA-N 0 0 249.379 3.627 20 0 BHADRN CCN(C(=O)/C=C\SC)c1cc(C)cc(C)c1 ZINC000751561578 585232632 /nfs/dbraw/zinc/23/26/32/585232632.db2.gz HAXLFYCVRHYZNT-SREVYHEPSA-N 0 0 249.379 3.533 20 0 BHADRN CCN(C(=O)/C=C/SC)c1cc(C)cc(C)c1 ZINC000751561584 585232583 /nfs/dbraw/zinc/23/25/83/585232583.db2.gz HAXLFYCVRHYZNT-VOTSOKGWSA-N 0 0 249.379 3.533 20 0 BHADRN CCN(C(=O)/C=C\SC)c1ccc(C)cc1C ZINC000751562888 585232344 /nfs/dbraw/zinc/23/23/44/585232344.db2.gz PIHSTOZUCYHOLE-HJWRWDBZSA-N 0 0 249.379 3.533 20 0 BHADRN CCN(C(=O)/C=C\SC)c1cccc(C)c1C ZINC000751564615 585232778 /nfs/dbraw/zinc/23/27/78/585232778.db2.gz IQQYFGDVSOYTEO-KTKRTIGZSA-N 0 0 249.379 3.533 20 0 BHADRN CCN(C(=O)/C=C/SC)c1cccc(C)c1C ZINC000751564617 585232805 /nfs/dbraw/zinc/23/28/05/585232805.db2.gz IQQYFGDVSOYTEO-MDZDMXLPSA-N 0 0 249.379 3.533 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)[C@H]2CC2(C)C)c1 ZINC000751565042 585232960 /nfs/dbraw/zinc/23/29/60/585232960.db2.gz QZSJOWWPZRXYPR-SECBINFHSA-N 0 0 238.714 3.600 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)[C@@H]2CC2(C)C)c1 ZINC000751565043 585232763 /nfs/dbraw/zinc/23/27/63/585232763.db2.gz QZSJOWWPZRXYPR-VIFPVBQESA-N 0 0 238.714 3.600 20 0 BHADRN CCN(C(=O)/C=C\SC)c1cc(C)ccc1C ZINC000751565307 585232783 /nfs/dbraw/zinc/23/27/83/585232783.db2.gz HKDWSPFEDDRPOJ-HJWRWDBZSA-N 0 0 249.379 3.533 20 0 BHADRN CC1(C)C[C@H]1c1nc(-c2ccccc2Cl)no1 ZINC000751567879 585232793 /nfs/dbraw/zinc/23/27/93/585232793.db2.gz MCMPFHKXAJFCEH-VIFPVBQESA-N 0 0 248.713 3.904 20 0 BHADRN CCC[C@@H](NC(=O)/C=C\SC)c1ccccc1 ZINC000751570454 585233072 /nfs/dbraw/zinc/23/30/72/585233072.db2.gz KCMKENMJTILSAR-BSYHEUMXSA-N 0 0 249.379 3.521 20 0 BHADRN CCC[C@H](NC(=O)/C=C\SC)c1ccccc1 ZINC000751570455 583916578 /nfs/dbraw/zinc/91/65/78/583916578.db2.gz KCMKENMJTILSAR-OEYXZAGESA-N 0 0 249.379 3.521 20 0 BHADRN CS/C=C/C(=O)Oc1ccc2ccccc2c1 ZINC000751571304 585233094 /nfs/dbraw/zinc/23/30/94/585233094.db2.gz WTGUWIKKYCYWCG-CMDGGOBGSA-N 0 0 244.315 3.622 20 0 BHADRN CS/C=C\C(=O)Oc1ccc2ccccc2c1 ZINC000751571310 583916583 /nfs/dbraw/zinc/91/65/83/583916583.db2.gz WTGUWIKKYCYWCG-HJWRWDBZSA-N 0 0 244.315 3.622 20 0 BHADRN CS/C=C\C(=O)Oc1cccc2ccccc21 ZINC000751571660 585232989 /nfs/dbraw/zinc/23/29/89/585232989.db2.gz YJQLFWQDGRNYNB-KTKRTIGZSA-N 0 0 244.315 3.622 20 0 BHADRN CS/C=C/C(=O)Oc1cccc2ccccc21 ZINC000751571663 585233114 /nfs/dbraw/zinc/23/31/14/585233114.db2.gz YJQLFWQDGRNYNB-MDZDMXLPSA-N 0 0 244.315 3.622 20 0 BHADRN CS/C=C\C(=O)N(CC(C)C)c1ccccc1 ZINC000751572113 585233046 /nfs/dbraw/zinc/23/30/46/585233046.db2.gz HJWPAGAMEZVSDL-KTKRTIGZSA-N 0 0 249.379 3.552 20 0 BHADRN CS/C=C/C(=O)N(CC(C)C)c1ccccc1 ZINC000751572114 585233037 /nfs/dbraw/zinc/23/30/37/585233037.db2.gz HJWPAGAMEZVSDL-MDZDMXLPSA-N 0 0 249.379 3.552 20 0 BHADRN CN(C(=O)C=C1CCC(C)(C)CC1)C1CCCC1 ZINC000751576995 585233451 /nfs/dbraw/zinc/23/34/51/585233451.db2.gz HESIGEOXKFPMNQ-UHFFFAOYSA-N 0 0 249.398 3.914 20 0 BHADRN CC1(C)CCC(=CC(=O)N2C3CCC2CC3)CC1 ZINC000751578946 585233635 /nfs/dbraw/zinc/23/36/35/585233635.db2.gz YJLBNJCTDQRHLQ-UHFFFAOYSA-N 0 0 247.382 3.666 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)[C@@H]1CC1(C)C ZINC000751581696 585233612 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585238986 /nfs/dbraw/zinc/23/89/86/585238986.db2.gz QBZLODYMJHQKGA-UHFFFAOYSA-N 0 0 248.395 3.614 20 0 BHADRN CCC1(NC(=S)Nc2cccc(C)c2)CCC1 ZINC000751912042 583940716 /nfs/dbraw/zinc/94/07/16/583940716.db2.gz XKVZEFBURYKPBO-UHFFFAOYSA-N 0 0 248.395 3.614 20 0 BHADRN CCN(CC1CC1)C(=O)C=C1CCC(C)(C)CC1 ZINC000751955652 585239851 /nfs/dbraw/zinc/23/98/51/585239851.db2.gz IFIDTXFFOBOHOE-UHFFFAOYSA-N 0 0 249.398 3.772 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000751967167 585240106 /nfs/dbraw/zinc/24/01/06/585240106.db2.gz BUHRKZXUWXLLIS-BFHYXJOUSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000751967168 585240018 /nfs/dbraw/zinc/24/00/18/585240018.db2.gz BUHRKZXUWXLLIS-IHRRRGAJSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000751967169 585240232 /nfs/dbraw/zinc/24/02/32/585240232.db2.gz BUHRKZXUWXLLIS-MCIONIFRSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000751967170 585240049 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585247982 /nfs/dbraw/zinc/24/79/82/585247982.db2.gz NJVUGEPUMHHLQX-NSHDSACASA-N 0 0 236.311 3.507 20 0 BHADRN CCCc1ccc(NC(=O)NC2CC(C)C2)cc1 ZINC000752620377 585248366 /nfs/dbraw/zinc/24/83/66/585248366.db2.gz HFJXFZFYYCYSHS-UHFFFAOYSA-N 0 0 246.354 3.559 20 0 BHADRN CCCc1ccc(NC(=O)NCC2(C)CC2)cc1 ZINC000752620657 585248339 /nfs/dbraw/zinc/24/83/39/585248339.db2.gz JRAOXQWUBWZJIR-UHFFFAOYSA-N 0 0 246.354 3.561 20 0 BHADRN CCc1cccnc1NC(=O)/C=C(/C)C(C)(C)C ZINC000752645442 585248320 /nfs/dbraw/zinc/24/83/20/585248320.db2.gz CVUBCEMXNPEXAX-KHPPLWFESA-N 0 0 246.354 3.575 20 0 BHADRN CCc1cccnc1NC(=O)/C=C(\C)C(C)(C)C ZINC000752645443 585248460 /nfs/dbraw/zinc/24/84/60/585248460.db2.gz CVUBCEMXNPEXAX-ZHACJKMWSA-N 0 0 246.354 3.575 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NC1CC(C)C1 ZINC000752699980 585248933 /nfs/dbraw/zinc/24/89/33/585248933.db2.gz WYWIVQSIHQDWAT-MOKVOYLWSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NC1CC(C)C1 ZINC000752699981 585248904 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Cc1ccc(NC(=O)/C=C2\CC[C@@H](C)C2)cc1F ZINC000753561893 585261831 /nfs/dbraw/zinc/26/18/31/585261831.db2.gz DXGBILYEBLFYQQ-ZDIKFAODSA-N 0 0 247.313 3.819 20 0 BHADRN CC(C(=O)N(C)c1ccccc1)=C1CCCC1 ZINC000753561991 585261952 /nfs/dbraw/zinc/26/19/52/585261952.db2.gz HOJIRRCYGKGAAP-UHFFFAOYSA-N 0 0 229.323 3.540 20 0 BHADRN CC(C(=O)NC1CCCCCC1)=C1CCCC1 ZINC000753562534 585261844 /nfs/dbraw/zinc/26/18/44/585261844.db2.gz IOSWKTNXEOBLNW-UHFFFAOYSA-N 0 0 235.371 3.716 20 0 BHADRN Cc1ccc(NC(=O)/C=C2/CC[C@H](C)C2)c(C)c1 ZINC000753562610 585261901 /nfs/dbraw/zinc/26/19/01/585261901.db2.gz INQOLSLTLIVYMI-GVIGZQTCSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1ccc(NC(=O)/C=C2\CC[C@@H](C)C2)c(C)c1 ZINC000753562612 585261883 /nfs/dbraw/zinc/26/18/83/585261883.db2.gz INQOLSLTLIVYMI-HLVNSREUSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1ccc(NC(=O)/C=C2\CC[C@H](C)C2)c(C)c1 ZINC000753562614 585261790 /nfs/dbraw/zinc/26/17/90/585261790.db2.gz INQOLSLTLIVYMI-LQELWAHVSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1ccc(NC(=O)/C=C2/CC[C@@H](C)C2)c(C)c1 ZINC000753562616 585261932 /nfs/dbraw/zinc/26/19/32/585261932.db2.gz INQOLSLTLIVYMI-XTCQQWIJSA-N 0 0 243.350 3.988 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)NC2CCCCCC2)C1 ZINC000753563189 585261752 /nfs/dbraw/zinc/26/17/52/585261752.db2.gz NGTBFNUXJQIOAD-KLDSGFLGSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)NC2CCCCCC2)C1 ZINC000753563190 585261676 /nfs/dbraw/zinc/26/16/76/585261676.db2.gz NGTBFNUXJQIOAD-NPRUJURCSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)NC2CCCCCC2)C1 ZINC000753563191 585261691 /nfs/dbraw/zinc/26/16/91/585261691.db2.gz NGTBFNUXJQIOAD-OWRWYXLESA-N 0 0 235.371 3.572 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)NC2CCCCCC2)C1 ZINC000753563192 585261655 /nfs/dbraw/zinc/26/16/55/585261655.db2.gz NGTBFNUXJQIOAD-RVROTUBLSA-N 0 0 235.371 3.572 20 0 BHADRN CC[C@H]1CCCCN1C(=O)C(C)=C1CCCC1 ZINC000753563339 585261840 /nfs/dbraw/zinc/26/18/40/585261840.db2.gz MTLSMKWNTNOQRO-AWEZNQCLSA-N 0 0 235.371 3.668 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)C(C)=C1CCCC1 ZINC000753563340 585261940 /nfs/dbraw/zinc/26/19/40/585261940.db2.gz MTLSMKWNTNOQRO-CQSZACIVSA-N 0 0 235.371 3.668 20 0 BHADRN Cc1cccc(NC(=O)/C=C2\CC[C@H](C)C2)c1 ZINC000753563351 585261893 /nfs/dbraw/zinc/26/18/93/585261893.db2.gz MYKMTTZXRYYHSV-CVCOIXHCSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1cccc(NC(=O)/C=C2\CC[C@@H](C)C2)c1 ZINC000753563352 585261788 /nfs/dbraw/zinc/26/17/88/585261788.db2.gz MYKMTTZXRYYHSV-GMCKNXKJSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1cccc(NC(=O)/C=C2/CC[C@H](C)C2)c1 ZINC000753563353 584891781 /nfs/dbraw/zinc/89/17/81/584891781.db2.gz MYKMTTZXRYYHSV-IXJPEXDMSA-N 0 0 229.323 3.680 20 0 BHADRN Cc1cccc(NC(=O)/C=C2/CC[C@@H](C)C2)c1 ZINC000753563356 584891977 /nfs/dbraw/zinc/89/19/77/584891977.db2.gz MYKMTTZXRYYHSV-YGYTWAPGSA-N 0 0 229.323 3.680 20 0 BHADRN CCCN(CC1CC1)C(=O)C(C)=C1CCCC1 ZINC000753563514 585261741 /nfs/dbraw/zinc/26/17/41/585261741.db2.gz OLSPTDPCDPREIZ-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCCCN(CC)C(=O)C(C)=C1CCCC1 ZINC000753563596 585261816 /nfs/dbraw/zinc/26/18/16/585261816.db2.gz PRHVVYDOJULSMU-UHFFFAOYSA-N 0 0 223.360 3.526 20 0 BHADRN CCCN(CCC)C(=O)C(C)=C1CCCC1 ZINC000753563977 585261805 /nfs/dbraw/zinc/26/18/05/585261805.db2.gz PXYGPWRCOQTPHG-UHFFFAOYSA-N 0 0 223.360 3.526 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)Nc2cccc(F)c2)C1 ZINC000753564005 585261755 /nfs/dbraw/zinc/26/17/55/585261755.db2.gz QYEQVCUONDLIOE-DFYQSJSGSA-N 0 0 233.286 3.511 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)Nc2cccc(F)c2)C1 ZINC000753564006 584892125 /nfs/dbraw/zinc/89/21/25/584892125.db2.gz QYEQVCUONDLIOE-MXBGMFSPSA-N 0 0 233.286 3.511 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)Nc2cccc(F)c2)C1 ZINC000753564007 584892160 /nfs/dbraw/zinc/89/21/60/584892160.db2.gz QYEQVCUONDLIOE-NGPGYTDTSA-N 0 0 233.286 3.511 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)Nc2cccc(F)c2)C1 ZINC000753564008 584892109 /nfs/dbraw/zinc/89/21/09/584892109.db2.gz QYEQVCUONDLIOE-UBYNWHESSA-N 0 0 233.286 3.511 20 0 BHADRN Cc1ccc(NC(=O)/C=C2/CC[C@H](C)C2)cc1C ZINC000753564009 584892123 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0 235.371 3.524 20 0 BHADRN CC(C(=O)N1CCCCCCC1)=C1CCCC1 ZINC000753573505 585262420 /nfs/dbraw/zinc/26/24/20/585262420.db2.gz HTYKSRUXCCFXRD-UHFFFAOYSA-N 0 0 235.371 3.670 20 0 BHADRN CC(C(=O)N(C)C1CCCCC1)=C1CCCC1 ZINC000753573534 585262367 /nfs/dbraw/zinc/26/23/67/585262367.db2.gz IPFCYTIEOTXJPI-UHFFFAOYSA-N 0 0 235.371 3.668 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)N(C)C2CCC(C)CC2)C1 ZINC000753573555 585262442 /nfs/dbraw/zinc/26/24/42/585262442.db2.gz POFWAYBBMLUWSK-AYEWSAEXSA-N 0 0 249.398 3.770 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)N(C)C2CCC(C)CC2)C1 ZINC000753573557 585262220 /nfs/dbraw/zinc/26/22/20/585262220.db2.gz POFWAYBBMLUWSK-KONJXDAESA-N 0 0 249.398 3.770 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)N(C)C2CCC(C)CC2)C1 ZINC000753573559 584893688 /nfs/dbraw/zinc/89/36/88/584893688.db2.gz POFWAYBBMLUWSK-VJXQKORJSA-N 0 0 249.398 3.770 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)N(C)C2CCC(C)CC2)C1 ZINC000753573561 584893680 /nfs/dbraw/zinc/89/36/80/584893680.db2.gz POFWAYBBMLUWSK-XHQPSWRNSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C(=O)N[C@H](C)CCC(C)C)=C1CCCC1 ZINC000753573917 585262389 /nfs/dbraw/zinc/26/23/89/585262389.db2.gz LOBLBHHKHGJROS-GFCCVEGCSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C(=O)N[C@@H](C)CCC(C)C)=C1CCCC1 ZINC000753573918 585262295 /nfs/dbraw/zinc/26/22/95/585262295.db2.gz LOBLBHHKHGJROS-LBPRGKRZSA-N 0 0 237.387 3.818 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)N2CCCCCCC2)C1 ZINC000753573939 585262357 /nfs/dbraw/zinc/26/23/57/585262357.db2.gz MFQVKCXZEFRDLZ-BSHRGCEOSA-N 0 0 235.371 3.526 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)N2CCCCCCC2)C1 ZINC000753573940 585262387 /nfs/dbraw/zinc/26/23/87/585262387.db2.gz MFQVKCXZEFRDLZ-MNWMYKRDSA-N 0 0 235.371 3.526 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)N2CCCCCCC2)C1 ZINC000753573941 585262409 /nfs/dbraw/zinc/26/24/09/585262409.db2.gz MFQVKCXZEFRDLZ-NXXVSJRMSA-N 0 0 235.371 3.526 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)N2CCCCCCC2)C1 ZINC000753573942 585262438 /nfs/dbraw/zinc/26/24/38/585262438.db2.gz MFQVKCXZEFRDLZ-REQDGWNSSA-N 0 0 235.371 3.526 20 0 BHADRN CC(C(=O)NCCC1=CCCCC1)=C1CCCC1 ZINC000753575293 641325062 /nfs/dbraw/zinc/32/50/62/641325062.db2.gz ZIJIODCGKGBCDY-UHFFFAOYSA-N 0 0 247.382 3.884 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)/C=C1/CC[C@H](C)C1 ZINC000753576415 585262349 /nfs/dbraw/zinc/26/23/49/585262349.db2.gz YFYMCLQEJLTLQI-ABZBSAQLSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000753576416 585262410 /nfs/dbraw/zinc/26/24/10/585262410.db2.gz YFYMCLQEJLTLQI-BEFZUUHMSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000753576418 585262313 /nfs/dbraw/zinc/26/23/13/585262313.db2.gz YFYMCLQEJLTLQI-IJEMZBSNSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)/C=C1\CC[C@H](C)C1 ZINC000753576420 585262401 /nfs/dbraw/zinc/26/24/01/585262401.db2.gz YFYMCLQEJLTLQI-PCGPPNOCSA-N 0 0 237.387 3.674 20 0 BHADRN CCc1ccccc1NC(=O)/C=C1/CC[C@H](C)C1 ZINC000753576458 585262444 /nfs/dbraw/zinc/26/24/44/585262444.db2.gz YWTZCPHLUYHCFV-KLDSGFLGSA-N 0 0 243.350 3.934 20 0 BHADRN CCc1ccccc1NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000753576459 585262293 /nfs/dbraw/zinc/26/22/93/585262293.db2.gz YWTZCPHLUYHCFV-NPRUJURCSA-N 0 0 243.350 3.934 20 0 BHADRN CCc1ccccc1NC(=O)/C=C1\CC[C@H](C)C1 ZINC000753576462 585262236 /nfs/dbraw/zinc/26/22/36/585262236.db2.gz YWTZCPHLUYHCFV-OWRWYXLESA-N 0 0 243.350 3.934 20 0 BHADRN CCc1ccccc1NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000753576465 585262211 /nfs/dbraw/zinc/26/22/11/585262211.db2.gz YWTZCPHLUYHCFV-RVROTUBLSA-N 0 0 243.350 3.934 20 0 BHADRN CO[C@@H]1Cc2ccc(N[C@@H](C)CC(C)C)cc2C1 ZINC000753576527 585262350 /nfs/dbraw/zinc/26/23/50/585262350.db2.gz NLJLJFADDNLTDR-BLLLJJGKSA-N 0 0 247.382 3.647 20 0 BHADRN CO[C@H]1Cc2ccc(N[C@@H](C)CC(C)C)cc2C1 ZINC000753576528 585262352 /nfs/dbraw/zinc/26/23/52/585262352.db2.gz NLJLJFADDNLTDR-LRDDRELGSA-N 0 0 247.382 3.647 20 0 BHADRN CO[C@@H]1Cc2ccc(N[C@H](C)CC(C)C)cc2C1 ZINC000753576530 585262326 /nfs/dbraw/zinc/26/23/26/585262326.db2.gz NLJLJFADDNLTDR-MLGOLLRUSA-N 0 0 247.382 3.647 20 0 BHADRN CO[C@H]1Cc2ccc(N[C@H](C)CC(C)C)cc2C1 ZINC000753576531 585262262 /nfs/dbraw/zinc/26/22/62/585262262.db2.gz NLJLJFADDNLTDR-WBMJQRKESA-N 0 0 247.382 3.647 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C1CC(F)(F)C1 ZINC000753576749 585262395 /nfs/dbraw/zinc/26/23/95/585262395.db2.gz GXOXUWVTUFFPFQ-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C1CC(F)(F)C1 ZINC000753576750 585262358 /nfs/dbraw/zinc/26/23/58/585262358.db2.gz GXOXUWVTUFFPFQ-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C(=O)NCCCC1CCCC1)=C1CCCC1 ZINC000753577303 585262471 /nfs/dbraw/zinc/26/24/71/585262471.db2.gz MQEATRILPQYERD-UHFFFAOYSA-N 0 0 249.398 3.964 20 0 BHADRN CO[C@H]1Cc2ccc(NC3CCCCC3)cc2C1 ZINC000753577359 585262647 /nfs/dbraw/zinc/26/26/47/585262647.db2.gz SYHOZVUYHGJTFF-INIZCTEOSA-N 0 0 245.366 3.545 20 0 BHADRN CO[C@@H]1Cc2ccc(NC3CCCCC3)cc2C1 ZINC000753577360 584894909 /nfs/dbraw/zinc/89/49/09/584894909.db2.gz SYHOZVUYHGJTFF-MRXNPFEDSA-N 0 0 245.366 3.545 20 0 BHADRN CC(C(=O)Oc1ccc(C)cc1)=C1CCCC1 ZINC000753577720 585262654 /nfs/dbraw/zinc/26/26/54/585262654.db2.gz CQSLGHWRDQEWDI-UHFFFAOYSA-N 0 0 230.307 3.791 20 0 BHADRN FC1CN(Cc2ccccc2-c2ccccc2)C1 ZINC000753577784 585262511 /nfs/dbraw/zinc/26/25/11/585262511.db2.gz ZDODFCVJQQDZNI-UHFFFAOYSA-N 0 0 241.309 3.507 20 0 BHADRN CC(C(=O)N(C)CC1CCCCC1)=C1CCCC1 ZINC000753577952 585262609 /nfs/dbraw/zinc/26/26/09/585262609.db2.gz UGNRNWLDBGHZPU-UHFFFAOYSA-N 0 0 249.398 3.916 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)C(C)=C1CCCC1 ZINC000753578107 585262557 /nfs/dbraw/zinc/26/25/57/585262557.db2.gz BPZACJJJTYTIRL-LLVKDONJSA-N 0 0 223.360 3.524 20 0 BHADRN CCC[C@H](C)N(C)C(=O)C(C)=C1CCCC1 ZINC000753578108 585262494 /nfs/dbraw/zinc/26/24/94/585262494.db2.gz BPZACJJJTYTIRL-NSHDSACASA-N 0 0 223.360 3.524 20 0 BHADRN CC(C(=O)NCCC1CCCC1)=C1CCCC1 ZINC000753578307 585262528 /nfs/dbraw/zinc/26/25/28/585262528.db2.gz YFKKPOHOAREYBF-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN CC(C(=O)NCCC1CCCCC1)=C1CCCC1 ZINC000753578702 585262525 /nfs/dbraw/zinc/26/25/25/585262525.db2.gz GICBRALMOHZHRP-UHFFFAOYSA-N 0 0 249.398 3.964 20 0 BHADRN CC(C(=O)N(CC1CC1)C(C)C)=C1CCCC1 ZINC000753578721 585262466 /nfs/dbraw/zinc/26/24/66/585262466.db2.gz GONNMVNHZLRULU-UHFFFAOYSA-N 0 0 235.371 3.524 20 0 BHADRN CCCN(CC(C)C)C(=O)C(C)=C1CCCC1 ZINC000753579040 585262596 /nfs/dbraw/zinc/26/25/96/585262596.db2.gz BQWQTWMTQKPTTA-UHFFFAOYSA-N 0 0 237.387 3.772 20 0 BHADRN Cc1ccc(F)c(NC(=O)/C=C2/CC[C@H](C)C2)c1 ZINC000753579067 585262613 /nfs/dbraw/zinc/26/26/13/585262613.db2.gz PUFODCXUZNUCDN-JMZICWNOSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1ccc(F)c(NC(=O)/C=C2\CC[C@H](C)C2)c1 ZINC000753579068 585262587 /nfs/dbraw/zinc/26/25/87/585262587.db2.gz PUFODCXUZNUCDN-LZAIMSLLSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1ccc(F)c(NC(=O)/C=C2\CC[C@@H](C)C2)c1 ZINC000753579069 585262561 /nfs/dbraw/zinc/26/25/61/585262561.db2.gz PUFODCXUZNUCDN-QSARLWQPSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1ccc(F)c(NC(=O)/C=C2/CC[C@@H](C)C2)c1 ZINC000753579070 585262518 /nfs/dbraw/zinc/26/25/18/585262518.db2.gz PUFODCXUZNUCDN-WJEYQPDNSA-N 0 0 247.313 3.819 20 0 BHADRN CC(C(=O)N([C@H](C)C1CC1)C1CC1)=C1CCCC1 ZINC000753579238 585262559 /nfs/dbraw/zinc/26/25/59/585262559.db2.gz JMEMZROLBNMDJW-GFCCVEGCSA-N 0 0 247.382 3.666 20 0 BHADRN CC(C(=O)N([C@@H](C)C1CC1)C1CC1)=C1CCCC1 ZINC000753579239 585262492 /nfs/dbraw/zinc/26/24/92/585262492.db2.gz JMEMZROLBNMDJW-LBPRGKRZSA-N 0 0 247.382 3.666 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C1/CC[C@@H](C)C1 ZINC000753579533 585262623 /nfs/dbraw/zinc/26/26/23/585262623.db2.gz CPCVRBWYXQSZGC-JFBXQDQPSA-N 0 0 237.387 3.627 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C1\CC[C@H](C)C1 ZINC000753579535 585262581 /nfs/dbraw/zinc/26/25/81/585262581.db2.gz CPCVRBWYXQSZGC-LFGHMXSPSA-N 0 0 237.387 3.627 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C1/CC[C@H](C)C1 ZINC000753579536 585262655 /nfs/dbraw/zinc/26/26/55/585262655.db2.gz CPCVRBWYXQSZGC-ODUNQGDFSA-N 0 0 237.387 3.627 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C1\CC[C@@H](C)C1 ZINC000753579538 585262637 /nfs/dbraw/zinc/26/26/37/585262637.db2.gz CPCVRBWYXQSZGC-PCRWRXJSSA-N 0 0 237.387 3.627 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C(C)=C1CCCC1 ZINC000753579815 585262657 /nfs/dbraw/zinc/26/26/57/585262657.db2.gz DLGJPUQQGIUKSN-GFCCVEGCSA-N 0 0 237.387 3.962 20 0 BHADRN CCCCC[C@H](C)NC(=O)C(C)=C1CCCC1 ZINC000753579819 585262491 /nfs/dbraw/zinc/26/24/91/585262491.db2.gz DLGJPUQQGIUKSN-LBPRGKRZSA-N 0 0 237.387 3.962 20 0 BHADRN CCCCN(C(=O)C(C)=C1CCCC1)C1CC1 ZINC000753579864 585262522 /nfs/dbraw/zinc/26/25/22/585262522.db2.gz DTMSXKIUJHPSGO-UHFFFAOYSA-N 0 0 235.371 3.668 20 0 BHADRN CCN(C(=O)/C=C1/CC[C@H](C)C1)C1CCCC1 ZINC000753579982 585262625 /nfs/dbraw/zinc/26/26/25/585262625.db2.gz FJOVFAPNFFDPTP-KLDSGFLGSA-N 0 0 235.371 3.524 20 0 BHADRN CCN(C(=O)/C=C1/CC[C@@H](C)C1)C1CCCC1 ZINC000753579984 585262565 /nfs/dbraw/zinc/26/25/65/585262565.db2.gz FJOVFAPNFFDPTP-NPRUJURCSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C(=O)N(CC(C)C)C1CC1)=C1CCCC1 ZINC000753580164 585262457 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249.398 3.916 20 0 BHADRN CC[C@]1(C)CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC000753626373 585264715 /nfs/dbraw/zinc/26/47/15/585264715.db2.gz PIFKBSVGBDSFBM-MRXNPFEDSA-N 0 0 249.398 3.916 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1OC(=O)C1CC(F)(F)C1 ZINC000753626375 584898290 /nfs/dbraw/zinc/89/82/90/584898290.db2.gz SGOARUMLNRIMAE-KOLCDFICSA-N 0 0 246.297 3.544 20 0 BHADRN CC[C@@H]1CCCC[C@H]1OC(=O)C1CC(F)(F)C1 ZINC000753626378 584898176 /nfs/dbraw/zinc/89/81/76/584898176.db2.gz SGOARUMLNRIMAE-MWLCHTKSSA-N 0 0 246.297 3.544 20 0 BHADRN CC[C@H]1CCCC[C@@H]1OC(=O)C1CC(F)(F)C1 ZINC000753626381 584898082 /nfs/dbraw/zinc/89/80/82/584898082.db2.gz SGOARUMLNRIMAE-ONGXEEELSA-N 0 0 246.297 3.544 20 0 BHADRN CC(C(=O)N1CCC[C@H](C)[C@@H]1C)=C1CCCC1 ZINC000753626411 584898134 /nfs/dbraw/zinc/89/81/34/584898134.db2.gz SQAUKJBMPXOIAT-AAEUAGOBSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C(=O)N1CCC[C@@H](C)[C@H]1C)=C1CCCC1 ZINC000753626415 584898261 /nfs/dbraw/zinc/89/82/61/584898261.db2.gz SQAUKJBMPXOIAT-DGCLKSJQSA-N 0 0 235.371 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BHADRN CC(C(=O)N[C@@H]1CCCC1(C)C)=C1CCCC1 ZINC000753633845 585265163 /nfs/dbraw/zinc/26/51/63/585265163.db2.gz PVHXJFJXXCRMOW-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@H]1CCCC1(C)C)=C1CCCC1 ZINC000753633846 585265102 /nfs/dbraw/zinc/26/51/02/585265102.db2.gz PVHXJFJXXCRMOW-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)C(C)=C1CCCC1 ZINC000753633898 641365471 /nfs/dbraw/zinc/36/54/71/641365471.db2.gz QCYXVHJPWVHEJB-GFCCVEGCSA-N 0 0 237.387 3.772 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)C(C)=C1CCCC1 ZINC000753633912 641364883 /nfs/dbraw/zinc/36/48/83/641364883.db2.gz QCYXVHJPWVHEJB-LBPRGKRZSA-N 0 0 237.387 3.772 20 0 BHADRN CC(C(=O)N1C[C@@H]2CCCC[C@@H]2C1)=C1CCCC1 ZINC000753633936 585265249 /nfs/dbraw/zinc/26/52/49/585265249.db2.gz QFNXZMJQHWEGAP-GASCZTMLSA-N 0 0 247.382 3.526 20 0 BHADRN CC(C(=O)N1C[C@@H]2CCCC[C@H]2C1)=C1CCCC1 ZINC000753633940 585265115 /nfs/dbraw/zinc/26/51/15/585265115.db2.gz QFNXZMJQHWEGAP-GJZGRUSLSA-N 0 0 247.382 3.526 20 0 BHADRN CC(C(=O)N1C[C@H]2CCCC[C@@H]2C1)=C1CCCC1 ZINC000753633943 585265295 /nfs/dbraw/zinc/26/52/95/585265295.db2.gz QFNXZMJQHWEGAP-HUUCEWRRSA-N 0 0 247.382 3.526 20 0 BHADRN CC(C(=O)N1C[C@H](C)CC1(C)C)=C1CCCC1 ZINC000753634129 585265180 /nfs/dbraw/zinc/26/51/80/585265180.db2.gz XWCFPQBHCNSURR-LLVKDONJSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C(=O)N1C[C@@H](C)CC1(C)C)=C1CCCC1 ZINC000753634133 585265235 /nfs/dbraw/zinc/26/52/35/585265235.db2.gz XWCFPQBHCNSURR-NSHDSACASA-N 0 0 235.371 3.524 20 0 BHADRN CC(C(=O)N(C)[C@H](C)C1(C)CC1)=C1CCCC1 ZINC000753638137 585265387 /nfs/dbraw/zinc/26/53/87/585265387.db2.gz XVNKNHKWXUKWOU-GFCCVEGCSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C(=O)N(C)[C@@H](C)C1(C)CC1)=C1CCCC1 ZINC000753638139 585265430 /nfs/dbraw/zinc/26/54/30/585265430.db2.gz XVNKNHKWXUKWOU-LBPRGKRZSA-N 0 0 235.371 3.524 20 0 BHADRN Cc1ccccc1-c1csc(-c2cc[nH]n2)n1 ZINC000753644134 585265332 /nfs/dbraw/zinc/26/53/32/585265332.db2.gz FXXXICVGCLNHTR-UHFFFAOYSA-N 0 0 241.319 3.509 20 0 BHADRN CCN(C(=O)/C=C1/CC[C@H](C)C1)[C@@H](C)C(C)C ZINC000753647188 585265673 /nfs/dbraw/zinc/26/56/73/585265673.db2.gz FCKLXJBDVISRKJ-ABZBSAQLSA-N 0 0 237.387 3.626 20 0 BHADRN CCN(C(=O)/C=C1\CC[C@H](C)C1)[C@H](C)C(C)C ZINC000753647200 585265657 /nfs/dbraw/zinc/26/56/57/585265657.db2.gz FCKLXJBDVISRKJ-NNQLKGDCSA-N 0 0 237.387 3.626 20 0 BHADRN CCN(C(=O)/C=C1\CC[C@H](C)C1)[C@@H](C)C(C)C ZINC000753647208 585265592 /nfs/dbraw/zinc/26/55/92/585265592.db2.gz FCKLXJBDVISRKJ-PCGPPNOCSA-N 0 0 237.387 3.626 20 0 BHADRN CCN(C(=O)/C=C1/CC[C@H](C)C1)[C@H](C)C(C)C ZINC000753647215 585265564 /nfs/dbraw/zinc/26/55/64/585265564.db2.gz FCKLXJBDVISRKJ-UDVMBWJESA-N 0 0 237.387 3.626 20 0 BHADRN CCC/C=C/C(=O)NCC(C)(C)C1CCCC1 ZINC000753687695 585266431 /nfs/dbraw/zinc/26/64/31/585266431.db2.gz OHKMQPHXPMMRSV-IZZDOVSWSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C=C\C(=O)NCC(C)(C)C1CCCC1 ZINC000753687697 585266354 /nfs/dbraw/zinc/26/63/54/585266354.db2.gz OHKMQPHXPMMRSV-WDZFZDKYSA-N 0 0 237.387 3.675 20 0 BHADRN CCC(=O)CC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000753697102 585266253 /nfs/dbraw/zinc/26/62/53/585266253.db2.gz LAZYAGXCOMTDMR-UHFFFAOYSA-N 0 0 247.382 3.611 20 0 BHADRN FC(F)COc1ccc(NCC2CCC2)cc1 ZINC000753715976 585267073 /nfs/dbraw/zinc/26/70/73/585267073.db2.gz HWMICVROGJOTGA-UHFFFAOYSA-N 0 0 241.281 3.543 20 0 BHADRN Fc1cc(NCC2CCC2)ccc1OC1CCC1 ZINC000753717880 585267162 /nfs/dbraw/zinc/26/71/62/585267162.db2.gz WQVRTHDAIXPBER-UHFFFAOYSA-N 0 0 249.329 3.969 20 0 BHADRN CC(C)Oc1ccc(NCC2CCC2)c(F)c1 ZINC000753717952 585267282 /nfs/dbraw/zinc/26/72/82/585267282.db2.gz XSWNZHNOACCNFW-UHFFFAOYSA-N 0 0 237.318 3.825 20 0 BHADRN CCCCCC(C)(C)C(=O)N1CC(C(C)C)C1 ZINC000753738784 585267467 /nfs/dbraw/zinc/26/74/67/585267467.db2.gz FCBPVBZKLHYUKX-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CC(C(C)C)C1 ZINC000753745594 585268003 /nfs/dbraw/zinc/26/80/03/585268003.db2.gz WNYPOPQYKHSJTE-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CC(C(C)C)C1 ZINC000753745596 585268001 /nfs/dbraw/zinc/26/80/01/585268001.db2.gz WNYPOPQYKHSJTE-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)CCCCCC(=O)N1CC(C(C)C)C1 ZINC000753745612 585267806 /nfs/dbraw/zinc/26/78/06/585267806.db2.gz WQVPVJFCQSCCTB-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CC(C(C)C)C1 ZINC000753747510 585267713 /nfs/dbraw/zinc/26/77/13/585267713.db2.gz MKEWXTYCZRJNTK-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CC(C(C)C)C1 ZINC000753747519 585268231 /nfs/dbraw/zinc/26/82/31/585268231.db2.gz MKEWXTYCZRJNTK-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CCCC[C@H](CCC)CNC(=O)/C=C\C1CC1 ZINC000753774443 585268880 /nfs/dbraw/zinc/26/88/80/585268880.db2.gz DPXXXQUISYMCIK-BMSUMIBZSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@@H](CCC)CNC(=O)/C=C\C1CC1 ZINC000753774444 585268762 /nfs/dbraw/zinc/26/87/62/585268762.db2.gz DPXXXQUISYMCIK-IWMPZKFUSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@@H](CCC)CNC(=O)/C=C/C1CC1 ZINC000753774445 585268949 /nfs/dbraw/zinc/26/89/49/585268949.db2.gz DPXXXQUISYMCIK-PLSXKVAHSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@H](CCC)CNC(=O)/C=C/C1CC1 ZINC000753774446 585268744 /nfs/dbraw/zinc/26/87/44/585268744.db2.gz DPXXXQUISYMCIK-VNDWYCCKSA-N 0 0 237.387 3.675 20 0 BHADRN CCCC[C@@H](CCC)CNC(=O)/C=C/SC ZINC000753776508 585268934 /nfs/dbraw/zinc/26/89/34/585268934.db2.gz PELQKHLBRPRELM-BZYZDCJZSA-N 0 0 243.416 3.586 20 0 BHADRN CCCC[C@H](CCC)CNC(=O)/C=C\SC ZINC000753776509 585268684 /nfs/dbraw/zinc/26/86/84/585268684.db2.gz PELQKHLBRPRELM-PRDAAYKISA-N 0 0 243.416 3.586 20 0 BHADRN CCCC[C@H](CCC)CNC(=O)/C=C/SC ZINC000753776510 585268689 /nfs/dbraw/zinc/26/86/89/585268689.db2.gz PELQKHLBRPRELM-VMPCVLLUSA-N 0 0 243.416 3.586 20 0 BHADRN CCCC[C@@H](CCC)CNC(=O)/C=C\SC ZINC000753776511 585268954 /nfs/dbraw/zinc/26/89/54/585268954.db2.gz PELQKHLBRPRELM-ZWLSGLHFSA-N 0 0 243.416 3.586 20 0 BHADRN C/C=C(\C)C(=O)NC[C@H](CCC)CCCC ZINC000753777266 585268794 /nfs/dbraw/zinc/26/87/94/585268794.db2.gz VUBMKOKQJYUZLZ-BWODNOAJSA-N 0 0 225.376 3.675 20 0 BHADRN C/C=C(/C)C(=O)NC[C@H](CCC)CCCC ZINC000753777267 585268782 /nfs/dbraw/zinc/26/87/82/585268782.db2.gz VUBMKOKQJYUZLZ-FFXRNRBCSA-N 0 0 225.376 3.675 20 0 BHADRN C/C=C(/C)C(=O)NC[C@@H](CCC)CCCC ZINC000753777268 585268709 /nfs/dbraw/zinc/26/87/09/585268709.db2.gz VUBMKOKQJYUZLZ-OTAKNEKHSA-N 0 0 225.376 3.675 20 0 BHADRN C/C=C(\C)C(=O)NC[C@@H](CCC)CCCC ZINC000753777269 585268723 /nfs/dbraw/zinc/26/87/23/585268723.db2.gz VUBMKOKQJYUZLZ-WHGQRRHOSA-N 0 0 225.376 3.675 20 0 BHADRN CCCC[C@@H](CCC)CNC(=O)C=C(C)C ZINC000753777634 585268868 /nfs/dbraw/zinc/26/88/68/585268868.db2.gz YKDJGQYEXLUFQF-CYBMUJFWSA-N 0 0 225.376 3.675 20 0 BHADRN CCCC[C@H](CCC)CNC(=O)C=C(C)C ZINC000753777635 585268950 /nfs/dbraw/zinc/26/89/50/585268950.db2.gz YKDJGQYEXLUFQF-ZDUSSCGKSA-N 0 0 225.376 3.675 20 0 BHADRN Fc1cccc(SCC(F)(F)C(F)F)c1 ZINC000753795153 585269342 /nfs/dbraw/zinc/26/93/42/585269342.db2.gz DCHKJBKRSYWSNI-UHFFFAOYSA-N 0 0 242.212 3.818 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)OCc1cccc2ccccc21 ZINC000753795722 585269298 /nfs/dbraw/zinc/26/92/98/585269298.db2.gz WRRMSJNQASMZRT-ABAIWWIYSA-N 0 0 240.302 3.539 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)OCc1cccc2ccccc21 ZINC000753795725 585269515 /nfs/dbraw/zinc/26/95/15/585269515.db2.gz WRRMSJNQASMZRT-NHYWBVRUSA-N 0 0 240.302 3.539 20 0 BHADRN C[C@H]1C[C@H]1C(=O)OCc1cccc2ccccc21 ZINC000753795728 585269484 /nfs/dbraw/zinc/26/94/84/585269484.db2.gz WRRMSJNQASMZRT-XHDPSFHLSA-N 0 0 240.302 3.539 20 0 BHADRN OCCCCCCCSc1cccc(F)c1 ZINC000753796386 585269281 /nfs/dbraw/zinc/26/92/81/585269281.db2.gz XSBJFECLEQATHQ-UHFFFAOYSA-N 0 0 242.359 3.861 20 0 BHADRN O=C(OC1CCCCCCC1)C1CC(F)(F)C1 ZINC000753803581 585269618 /nfs/dbraw/zinc/26/96/18/585269618.db2.gz VWVHESLRHOYHAN-UHFFFAOYSA-N 0 0 246.297 3.688 20 0 BHADRN CC[C@@H](C)OC(=O)C/C=C\c1ccc(C)cc1 ZINC000753803692 584906545 /nfs/dbraw/zinc/90/65/45/584906545.db2.gz LITHRADDHIBTOF-CFHLNLSMSA-N 0 0 232.323 3.740 20 0 BHADRN CC[C@H](C)OC(=O)C/C=C/c1ccc(C)cc1 ZINC000753803693 584906607 /nfs/dbraw/zinc/90/66/07/584906607.db2.gz LITHRADDHIBTOF-GFUIURDCSA-N 0 0 232.323 3.740 20 0 BHADRN CC[C@H](C)OC(=O)C/C=C\c1ccc(C)cc1 ZINC000753803694 584906591 /nfs/dbraw/zinc/90/65/91/584906591.db2.gz LITHRADDHIBTOF-SZZPACECSA-N 0 0 232.323 3.740 20 0 BHADRN CC[C@@H](C)OC(=O)C/C=C/c1ccc(C)cc1 ZINC000753803695 584906576 /nfs/dbraw/zinc/90/65/76/584906576.db2.gz LITHRADDHIBTOF-URWSZGRFSA-N 0 0 232.323 3.740 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)OCc2cccs2)C1 ZINC000753805665 585269327 /nfs/dbraw/zinc/26/93/27/585269327.db2.gz RGTFIWNFSPHCEE-DFYQSJSGSA-N 0 0 236.336 3.538 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)OCc2cccs2)C1 ZINC000753805667 585269370 /nfs/dbraw/zinc/26/93/70/585269370.db2.gz RGTFIWNFSPHCEE-MXBGMFSPSA-N 0 0 236.336 3.538 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)OCc2cccs2)C1 ZINC000753805670 585269399 /nfs/dbraw/zinc/26/93/99/585269399.db2.gz RGTFIWNFSPHCEE-NGPGYTDTSA-N 0 0 236.336 3.538 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)OCc2cccs2)C1 ZINC000753805673 585269502 /nfs/dbraw/zinc/26/95/02/585269502.db2.gz RGTFIWNFSPHCEE-UBYNWHESSA-N 0 0 236.336 3.538 20 0 BHADRN CCCCCC[C@H](C)OC(=O)C1CC(F)(F)C1 ZINC000753805729 585269785 /nfs/dbraw/zinc/26/97/85/585269785.db2.gz SMBODILJJPJAPR-JTQLQIEISA-N 0 0 248.313 3.934 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)C1CC(F)(F)C1 ZINC000753805732 585269797 /nfs/dbraw/zinc/26/97/97/585269797.db2.gz SMBODILJJPJAPR-SNVBAGLBSA-N 0 0 248.313 3.934 20 0 BHADRN C/C=C\COC(=O)C/C=C/c1ccc(C)cc1 ZINC000753806100 585269279 /nfs/dbraw/zinc/26/92/79/585269279.db2.gz UZXXFFBWYFGICN-DNVGVPOPSA-N 0 0 230.307 3.518 20 0 BHADRN C/C=C/COC(=O)C/C=C\c1ccc(C)cc1 ZINC000753806101 585269352 /nfs/dbraw/zinc/26/93/52/585269352.db2.gz UZXXFFBWYFGICN-ICWBMWKASA-N 0 0 230.307 3.518 20 0 BHADRN C/C=C\COC(=O)C/C=C\c1ccc(C)cc1 ZINC000753806105 585269489 /nfs/dbraw/zinc/26/94/89/585269489.db2.gz UZXXFFBWYFGICN-OUPQRBNQSA-N 0 0 230.307 3.518 20 0 BHADRN C/C=C/COC(=O)C/C=C/c1ccc(C)cc1 ZINC000753806106 585269483 /nfs/dbraw/zinc/26/94/83/585269483.db2.gz UZXXFFBWYFGICN-VNKDHWASSA-N 0 0 230.307 3.518 20 0 BHADRN CCCC[C@H](CC)COC(=O)C1CC(F)(F)C1 ZINC000753806242 585269895 /nfs/dbraw/zinc/26/98/95/585269895.db2.gz VWKRDVZWUIJCIB-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@@H](CC)COC(=O)C1CC(F)(F)C1 ZINC000753806248 585269828 /nfs/dbraw/zinc/26/98/28/585269828.db2.gz VWKRDVZWUIJCIB-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN O=C(OCCC1CCCCC1)C1CC(F)(F)C1 ZINC000753807651 585269899 /nfs/dbraw/zinc/26/98/99/585269899.db2.gz ATYKIURPRVITNY-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)OCc2ccsc2)C1 ZINC000753808449 641421355 /nfs/dbraw/zinc/42/13/55/641421355.db2.gz GCWNYPQAUPOYFE-PAKSIRSJSA-N 0 0 236.336 3.538 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)OCc2ccsc2)C1 ZINC000753808453 641421024 /nfs/dbraw/zinc/42/10/24/641421024.db2.gz GCWNYPQAUPOYFE-QBQSQJOESA-N 0 0 236.336 3.538 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)OCc2ccsc2)C1 ZINC000753808459 641421029 /nfs/dbraw/zinc/42/10/29/641421029.db2.gz GCWNYPQAUPOYFE-UEUZTHOGSA-N 0 0 236.336 3.538 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)OCc2ccsc2)C1 ZINC000753808461 641420996 /nfs/dbraw/zinc/42/09/96/641420996.db2.gz GCWNYPQAUPOYFE-VUBLIPMDSA-N 0 0 236.336 3.538 20 0 BHADRN CC[C@H]1CCC[C@@H](OC(=O)C2CC(F)(F)C2)C1 ZINC000753810693 585270159 /nfs/dbraw/zinc/27/01/59/585270159.db2.gz OSVCAMOPEMHUJH-GXSJLCMTSA-N 0 0 246.297 3.544 20 0 BHADRN CC[C@@H]1CCC[C@H](OC(=O)C2CC(F)(F)C2)C1 ZINC000753810696 585270083 /nfs/dbraw/zinc/27/00/83/585270083.db2.gz OSVCAMOPEMHUJH-KOLCDFICSA-N 0 0 246.297 3.544 20 0 BHADRN CC[C@@H]1CCC[C@@H](OC(=O)C2CC(F)(F)C2)C1 ZINC000753810697 585270074 /nfs/dbraw/zinc/27/00/74/585270074.db2.gz OSVCAMOPEMHUJH-MWLCHTKSSA-N 0 0 246.297 3.544 20 0 BHADRN CC[C@H]1CCC[C@H](OC(=O)C2CC(F)(F)C2)C1 ZINC000753810699 585270152 /nfs/dbraw/zinc/27/01/52/585270152.db2.gz OSVCAMOPEMHUJH-ONGXEEELSA-N 0 0 246.297 3.544 20 0 BHADRN C=Cc1cc(OC)c(OCC2CCC2)c(OC)c1 ZINC000753822213 585270276 /nfs/dbraw/zinc/27/02/76/585270276.db2.gz OCMFSQANOCTECC-UHFFFAOYSA-N 0 0 248.322 3.526 20 0 BHADRN Cc1c(Cl)cnn1Cc1ccc(Cl)s1 ZINC000753827014 585270803 /nfs/dbraw/zinc/27/08/03/585270803.db2.gz GEWYRSAGAIXSKF-UHFFFAOYSA-N 0 0 247.150 3.608 20 0 BHADRN Cc1cc(Cl)ncc1OCc1ccccc1 ZINC000753829034 585270730 /nfs/dbraw/zinc/27/07/30/585270730.db2.gz GLNJHKBSZGQPFZ-UHFFFAOYSA-N 0 0 233.698 3.622 20 0 BHADRN Cc1cc(Cl)ncc1OCC1CCCC1 ZINC000753829093 585270582 /nfs/dbraw/zinc/27/05/82/585270582.db2.gz GYPDZBNCSKNQAY-UHFFFAOYSA-N 0 0 225.719 3.612 20 0 BHADRN CC(C)(C)OC(=O)NCC(C)(C)C1CCCC1 ZINC000753843908 585271146 /nfs/dbraw/zinc/27/11/46/585271146.db2.gz YIBCHYSMTDQZIM-UHFFFAOYSA-N 0 0 241.375 3.728 20 0 BHADRN CCC[C@@H](C)NC(=O)CCCSC(C)(C)C ZINC000753913869 585271996 /nfs/dbraw/zinc/27/19/96/585271996.db2.gz IMHXWNPLJQJPGU-LLVKDONJSA-N 0 0 245.432 3.603 20 0 BHADRN CCC[C@H](C)NC(=O)CCCSC(C)(C)C ZINC000753913871 585271954 /nfs/dbraw/zinc/27/19/54/585271954.db2.gz IMHXWNPLJQJPGU-NSHDSACASA-N 0 0 245.432 3.603 20 0 BHADRN CCCN(CC)C(=O)CCCSC(C)(C)C ZINC000753928583 585272284 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CCC[C@@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC000754595961 585287418 /nfs/dbraw/zinc/28/74/18/585287418.db2.gz NTUWFTAGIWZDST-GCZGRYASSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC000754595966 585287264 /nfs/dbraw/zinc/28/72/64/585287264.db2.gz NTUWFTAGIWZDST-GETOMWPZSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC000754595969 585287295 /nfs/dbraw/zinc/28/72/95/585287295.db2.gz NTUWFTAGIWZDST-NYHXXUGCSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC000754595972 585287385 /nfs/dbraw/zinc/28/73/85/585287385.db2.gz NTUWFTAGIWZDST-XMXAVACDSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C[C@H](C)C1CC1 ZINC000754598865 585287346 /nfs/dbraw/zinc/28/73/46/585287346.db2.gz ZERPNHNQMJACDY-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C[C@H](C)C1CC1 ZINC000754598870 585287289 /nfs/dbraw/zinc/28/72/89/585287289.db2.gz ZERPNHNQMJACDY-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C[C@@H](C)C1CC1 ZINC000754598874 585287544 /nfs/dbraw/zinc/28/75/44/585287544.db2.gz ZERPNHNQMJACDY-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C[C@@H](C)C1CC1 ZINC000754599074 585287590 /nfs/dbraw/zinc/28/75/90/585287590.db2.gz ZERPNHNQMJACDY-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC(C)(C)C(=O)O[C@H](C)CCOC ZINC000754603472 585287555 /nfs/dbraw/zinc/28/75/55/585287555.db2.gz CETBSJKWCNRAJO-GFCCVEGCSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCCC(C)(C)C(=O)O[C@@H](C)CCOC ZINC000754603474 585287499 /nfs/dbraw/zinc/28/74/99/585287499.db2.gz CETBSJKWCNRAJO-LBPRGKRZSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1ncc(C)o1 ZINC000754615801 585288095 /nfs/dbraw/zinc/28/80/95/585288095.db2.gz MJWDOSRUZUXXCF-JTQLQIEISA-N 0 0 238.331 3.528 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1ncc(C)o1 ZINC000754615803 585288237 /nfs/dbraw/zinc/28/82/37/585288237.db2.gz MJWDOSRUZUXXCF-SNVBAGLBSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCCC[C@H](C)C(=O)Nc1ncc(C)o1 ZINC000754616133 585288213 /nfs/dbraw/zinc/28/82/13/585288213.db2.gz MOSUUEVZOYZVJH-JTQLQIEISA-N 0 0 238.331 3.528 20 0 BHADRN CCCCCC[C@@H](C)C(=O)Nc1ncc(C)o1 ZINC000754616134 585288066 /nfs/dbraw/zinc/28/80/66/585288066.db2.gz MOSUUEVZOYZVJH-SNVBAGLBSA-N 0 0 238.331 3.528 20 0 BHADRN Cc1cnc(NC(=O)CCCCCC(C)C)o1 ZINC000754616216 585288065 /nfs/dbraw/zinc/28/80/65/585288065.db2.gz ONJFVUQAKWJBLQ-UHFFFAOYSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCCC(C)(C)C(=O)Nc1ncc(C)o1 ZINC000754616417 585288070 /nfs/dbraw/zinc/28/80/70/585288070.db2.gz SZIDKNSFMKRNDB-UHFFFAOYSA-N 0 0 238.331 3.528 20 0 BHADRN CC(=O)c1ccnc(NC2CCCCCCC2)c1 ZINC000754618105 585288187 /nfs/dbraw/zinc/28/81/87/585288187.db2.gz XWCUKKQGUGEACO-UHFFFAOYSA-N 0 0 246.354 3.809 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1)CC ZINC000754629559 585288263 /nfs/dbraw/zinc/28/82/63/585288263.db2.gz HTIBDPSZJRRRKT-MBNYWOFBSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1)CC ZINC000754629566 585288451 /nfs/dbraw/zinc/28/84/51/585288451.db2.gz HTIBDPSZJRRRKT-OUCADQQQSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1)CC ZINC000754629570 585288258 /nfs/dbraw/zinc/28/82/58/585288258.db2.gz HTIBDPSZJRRRKT-SGMGOOAPSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1)CC ZINC000754629577 585288353 /nfs/dbraw/zinc/28/83/53/585288353.db2.gz HTIBDPSZJRRRKT-YRGRVCCFSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000754630343 585288273 /nfs/dbraw/zinc/28/82/73/585288273.db2.gz KPGNWENJEZUESB-BVSGOQPCSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000754630348 585288461 /nfs/dbraw/zinc/28/84/61/585288461.db2.gz KPGNWENJEZUESB-DIOHGEMYSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000754630351 585288473 /nfs/dbraw/zinc/28/84/73/585288473.db2.gz KPGNWENJEZUESB-SWXJOAPTSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000754630354 585288474 /nfs/dbraw/zinc/28/84/74/585288474.db2.gz KPGNWENJEZUESB-VKVQBNSESA-N 0 0 237.387 3.674 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@H]1C ZINC000754632734 585288424 /nfs/dbraw/zinc/28/84/24/585288424.db2.gz VIHCBIIUEHJWMR-ABKYOTEDSA-N 0 0 237.387 3.530 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@@H]1C ZINC000754632735 585288427 /nfs/dbraw/zinc/28/84/27/585288427.db2.gz VIHCBIIUEHJWMR-FLIZILELSA-N 0 0 237.387 3.530 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@@H]1C ZINC000754632736 585288262 /nfs/dbraw/zinc/28/82/62/585288262.db2.gz VIHCBIIUEHJWMR-KWJXNLCKSA-N 0 0 237.387 3.530 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@H]1C ZINC000754632737 585288271 /nfs/dbraw/zinc/28/82/71/585288271.db2.gz VIHCBIIUEHJWMR-ZSSNXDQJSA-N 0 0 237.387 3.530 20 0 BHADRN C/C=C\C(=O)Nc1cc(C)cc(C(F)(F)F)c1 ZINC000754634499 585288399 /nfs/dbraw/zinc/28/83/99/585288399.db2.gz VLCGRPCTJFORRQ-ARJAWSKDSA-N 0 0 243.228 3.528 20 0 BHADRN C/C=C/C(=O)Nc1cc(C)cc(C(F)(F)F)c1 ZINC000754634506 585288291 /nfs/dbraw/zinc/28/82/91/585288291.db2.gz VLCGRPCTJFORRQ-ONEGZZNKSA-N 0 0 243.228 3.528 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)/C(C)=C(/C)CC ZINC000754683631 585289421 /nfs/dbraw/zinc/28/94/21/585289421.db2.gz DJQMYWKVMVQTHN-DINCDJDBSA-N 0 0 237.387 3.914 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)/C(C)=C(\C)CC ZINC000754683634 585289392 /nfs/dbraw/zinc/28/93/92/585289392.db2.gz DJQMYWKVMVQTHN-FNDVETGQSA-N 0 0 237.387 3.914 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)/C(C)=C(/C)CC ZINC000754683636 585289405 /nfs/dbraw/zinc/28/94/05/585289405.db2.gz DJQMYWKVMVQTHN-WUFNSSIPSA-N 0 0 237.387 3.914 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)/C(C)=C(\C)CC ZINC000754683639 585289419 /nfs/dbraw/zinc/28/94/19/585289419.db2.gz DJQMYWKVMVQTHN-XTZCOPOCSA-N 0 0 237.387 3.914 20 0 BHADRN CCC[C@@H]1CCCCN1C(=O)C(C)=C(C)C ZINC000754686855 585289472 /nfs/dbraw/zinc/28/94/72/585289472.db2.gz QYCVNNGAFFFNAQ-CYBMUJFWSA-N 0 0 223.360 3.524 20 0 BHADRN CCC[C@H]1CCCCN1C(=O)C(C)=C(C)C ZINC000754686856 585289549 /nfs/dbraw/zinc/28/95/49/585289549.db2.gz QYCVNNGAFFFNAQ-ZDUSSCGKSA-N 0 0 223.360 3.524 20 0 BHADRN Cc1ccc(NC(=S)NC2(C)CCC2)cc1C ZINC000754691278 585289491 /nfs/dbraw/zinc/28/94/91/585289491.db2.gz DOJBWFRJXQTJBF-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN Cc1ccc(C)c(NC(=S)NC2(C)CCC2)c1 ZINC000754691719 584927888 /nfs/dbraw/zinc/92/78/88/584927888.db2.gz FKIXRBBPIQDCFY-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN Cc1cccc(NC(=S)NC2(C)CCC2)c1C ZINC000754693522 585289494 /nfs/dbraw/zinc/28/94/94/585289494.db2.gz OLBDUGURMULHKT-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN Cc1cc(C)cc(NC(=S)NC2(C)CCC2)c1 ZINC000754694943 585289782 /nfs/dbraw/zinc/28/97/82/585289782.db2.gz RWQHJVQALPVRNN-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN Cc1cccc(C(=O)Oc2ccccc2)c1Cl ZINC000754695394 585289708 /nfs/dbraw/zinc/28/97/08/585289708.db2.gz XVLLUNFRMONOTK-UHFFFAOYSA-N 0 0 246.693 3.868 20 0 BHADRN Cc1ccc(NC(=S)NC2(C)CCC2)c(C)c1 ZINC000754695745 584928122 /nfs/dbraw/zinc/92/81/22/584928122.db2.gz VQDNDUTWXREUBY-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN Cc1cccc(C)c1NC(=S)NC1(C)CCC1 ZINC000754696238 585289753 /nfs/dbraw/zinc/28/97/53/585289753.db2.gz YAZKNZUHAYJARQ-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000754699043 585289771 /nfs/dbraw/zinc/28/97/71/585289771.db2.gz TVAFIZOWOJPNDD-OWHDUTDRSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000754699045 585289727 /nfs/dbraw/zinc/28/97/27/585289727.db2.gz TVAFIZOWOJPNDD-SZPUYDBFSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000754699046 585289618 /nfs/dbraw/zinc/28/96/18/585289618.db2.gz TVAFIZOWOJPNDD-UETFZESXSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000754699048 585289690 /nfs/dbraw/zinc/28/96/90/585289690.db2.gz TVAFIZOWOJPNDD-UMWBJBIBSA-N 0 0 237.387 3.674 20 0 BHADRN Cc1cccc2[nH]c(COC(=O)CC(C)C)cc21 ZINC000754700862 585289614 /nfs/dbraw/zinc/28/96/14/585289614.db2.gz KWOLRVXYRRTUJK-UHFFFAOYSA-N 0 0 245.322 3.566 20 0 BHADRN Cc1cccc2[nH]c(COC(=O)C(C)(C)C)cc21 ZINC000754704535 585289682 /nfs/dbraw/zinc/28/96/82/585289682.db2.gz RNEAATAZOKRHDE-UHFFFAOYSA-N 0 0 245.322 3.566 20 0 BHADRN CCC(CC)OC(=O)c1ccc2ncsc2c1 ZINC000754730057 585290306 /nfs/dbraw/zinc/29/03/06/585290306.db2.gz WRURELSKZCRDIM-UHFFFAOYSA-N 0 0 249.335 3.642 20 0 BHADRN CC(C)CC(=O)OCc1cc2ccccc2s1 ZINC000754749336 585290120 /nfs/dbraw/zinc/29/01/20/585290120.db2.gz GEDLKTZCYDSYDK-UHFFFAOYSA-N 0 0 248.347 3.991 20 0 BHADRN C[C@@H]1C[C@H]1C(=O)OCc1cc2ccccc2s1 ZINC000754751101 585290457 /nfs/dbraw/zinc/29/04/57/585290457.db2.gz RRXJTHLNRXENTH-BXKDBHETSA-N 0 0 246.331 3.601 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)OCc1cc2ccccc2s1 ZINC000754751102 585290347 /nfs/dbraw/zinc/29/03/47/585290347.db2.gz RRXJTHLNRXENTH-CABZTGNLSA-N 0 0 246.331 3.601 20 0 BHADRN C[C@H]1C[C@H]1C(=O)OCc1cc2ccccc2s1 ZINC000754751103 585290350 /nfs/dbraw/zinc/29/03/50/585290350.db2.gz RRXJTHLNRXENTH-JOYOIKCWSA-N 0 0 246.331 3.601 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)OCc1cc2ccccc2s1 ZINC000754751104 585290506 /nfs/dbraw/zinc/29/05/06/585290506.db2.gz RRXJTHLNRXENTH-SKDRFNHKSA-N 0 0 246.331 3.601 20 0 BHADRN CCCC(=O)OCc1cc2ccccc2s1 ZINC000754751410 585290359 /nfs/dbraw/zinc/29/03/59/585290359.db2.gz BVYVZZGWPSMWMR-UHFFFAOYSA-N 0 0 234.320 3.745 20 0 BHADRN CCC(CC)OC(=O)c1ccnc2ccccc21 ZINC000754752034 585290428 /nfs/dbraw/zinc/29/04/28/585290428.db2.gz FQYQAJLFWXYWQB-UHFFFAOYSA-N 0 0 243.306 3.580 20 0 BHADRN CC(C)C(=O)OCc1cc2ccccc2s1 ZINC000754752489 585290533 /nfs/dbraw/zinc/29/05/33/585290533.db2.gz MFEPUNPQYPNCRS-UHFFFAOYSA-N 0 0 234.320 3.601 20 0 BHADRN CCC(CC)OC(=O)c1c(F)cccc1Cl ZINC000754752536 585290363 /nfs/dbraw/zinc/29/03/63/585290363.db2.gz MMECCYPODNKSRB-UHFFFAOYSA-N 0 0 244.693 3.825 20 0 BHADRN CCC(CC)OC(=O)C(C)(C)c1ccccc1 ZINC000754764934 585290361 /nfs/dbraw/zinc/29/03/61/585290361.db2.gz AENHXWITRNPCQD-UHFFFAOYSA-N 0 0 234.339 3.696 20 0 BHADRN CC[C@H](C)C(=O)OCc1cc2ccccc2s1 ZINC000754765907 585290418 /nfs/dbraw/zinc/29/04/18/585290418.db2.gz UIRRJYAUJGSAFC-JTQLQIEISA-N 0 0 248.347 3.991 20 0 BHADRN CC[C@@H](C)C(=O)OCc1cc2ccccc2s1 ZINC000754765909 585290459 /nfs/dbraw/zinc/29/04/59/585290459.db2.gz UIRRJYAUJGSAFC-SNVBAGLBSA-N 0 0 248.347 3.991 20 0 BHADRN CCC(CC)OC(=O)CSc1ccccc1 ZINC000754768339 585290752 /nfs/dbraw/zinc/29/07/52/585290752.db2.gz NSJXPXRNVKPNQH-UHFFFAOYSA-N 0 0 238.352 3.511 20 0 BHADRN O=C(OCc1cc2ccccc2s1)C1CCC1 ZINC000754771767 585290671 /nfs/dbraw/zinc/29/06/71/585290671.db2.gz CLOLMRDXHWKXOB-UHFFFAOYSA-N 0 0 246.331 3.745 20 0 BHADRN CCC(CC)OC(=O)c1c[nH]c2ccccc21 ZINC000754772877 585290556 /nfs/dbraw/zinc/29/05/56/585290556.db2.gz OUBUNASYGXUYMI-UHFFFAOYSA-N 0 0 231.295 3.513 20 0 BHADRN CCC(CC)OC(=O)c1cccc2ncccc21 ZINC000754773923 585290592 /nfs/dbraw/zinc/29/05/92/585290592.db2.gz WRAZZFUZYWXBHL-UHFFFAOYSA-N 0 0 243.306 3.580 20 0 BHADRN O=C(CC1CC1)OCc1cc2ccccc2s1 ZINC000754780242 585290727 /nfs/dbraw/zinc/29/07/27/585290727.db2.gz VCXLLWHVTVLLNG-UHFFFAOYSA-N 0 0 246.331 3.745 20 0 BHADRN CCC(CC)OC(=O)c1cccc2[nH]ccc21 ZINC000754781876 585290770 /nfs/dbraw/zinc/29/07/70/585290770.db2.gz AZCVLMQFIOXATA-UHFFFAOYSA-N 0 0 231.295 3.513 20 0 BHADRN CCC(CC)OC(=O)C(F)(F)c1ccccc1 ZINC000754781887 585290712 /nfs/dbraw/zinc/29/07/12/585290712.db2.gz BAUQXUFVTUEXFQ-UHFFFAOYSA-N 0 0 242.265 3.510 20 0 BHADRN CC1CCC(COC(=O)CCC(C)(F)F)CC1 ZINC000754784267 585290863 /nfs/dbraw/zinc/29/08/63/585290863.db2.gz MKXRZIPFFQYVEG-UHFFFAOYSA-N 0 0 248.313 3.791 20 0 BHADRN CC(C)(C)C(=O)OCc1cc2ccccc2s1 ZINC000754784746 585290790 /nfs/dbraw/zinc/29/07/90/585290790.db2.gz ZBWOZOMXAVODSY-UHFFFAOYSA-N 0 0 248.347 3.991 20 0 BHADRN CCC(CC)OC(=O)c1sccc1SC ZINC000754814412 644611974 /nfs/dbraw/zinc/61/19/74/644611974.db2.gz ZXBLOLRZJLLXLX-UHFFFAOYSA-N 0 0 244.381 3.815 20 0 BHADRN CCC(CC)OC(=O)[C@H](CC)Nc1ccccc1 ZINC000754818567 585290856 /nfs/dbraw/zinc/29/08/56/585290856.db2.gz ULFVKXUWPPVHIP-AWEZNQCLSA-N 0 0 249.354 3.609 20 0 BHADRN CCC(CC)OC(=O)[C@@H](CC)Nc1ccccc1 ZINC000754818568 585291022 /nfs/dbraw/zinc/29/10/22/585291022.db2.gz ULFVKXUWPPVHIP-CQSZACIVSA-N 0 0 249.354 3.609 20 0 BHADRN CCC(CC)OC(=O)C(C)(C)c1cccs1 ZINC000754821942 585291369 /nfs/dbraw/zinc/29/13/69/585291369.db2.gz WUXWTDHWHQXOIL-UHFFFAOYSA-N 0 0 240.368 3.758 20 0 BHADRN C/C=C(/C)C(=O)OCc1cc2ccccc2s1 ZINC000754832264 585291307 /nfs/dbraw/zinc/29/13/07/585291307.db2.gz MYVNYSYFNAOSOY-KMKOMSMNSA-N 0 0 246.331 3.911 20 0 BHADRN C/C=C(\C)C(=O)OCc1cc2ccccc2s1 ZINC000754832266 585291360 /nfs/dbraw/zinc/29/13/60/585291360.db2.gz MYVNYSYFNAOSOY-XCVCLJGOSA-N 0 0 246.331 3.911 20 0 BHADRN CCCN(C(=O)/C=C\c1ccccc1)C(C)(C)C ZINC000754835606 585291566 /nfs/dbraw/zinc/29/15/66/585291566.db2.gz RNFLFUSCZHVMCR-QXMHVHEDSA-N 0 0 245.366 3.737 20 0 BHADRN CCCN(C(=O)/C=C/c1ccccc1)C(C)(C)C ZINC000754835607 585291470 /nfs/dbraw/zinc/29/14/70/585291470.db2.gz RNFLFUSCZHVMCR-VAWYXSNFSA-N 0 0 245.366 3.737 20 0 BHADRN CCCN(C(=O)CSC(C)(C)C)C(C)(C)C ZINC000754836231 585291444 /nfs/dbraw/zinc/29/14/44/585291444.db2.gz VNCLMXGSIQEZLY-UHFFFAOYSA-N 0 0 245.432 3.555 20 0 BHADRN CCC(CC)OC(=O)c1cccc2cnccc21 ZINC000754836874 585291408 /nfs/dbraw/zinc/29/14/08/585291408.db2.gz VKOXYLQVUFYLFV-UHFFFAOYSA-N 0 0 243.306 3.580 20 0 BHADRN CCC(CC)OC(=O)C(F)=C1CCCC1 ZINC000754841333 585291421 /nfs/dbraw/zinc/29/14/21/585291421.db2.gz FHXNWVQJOOEAGU-UHFFFAOYSA-N 0 0 214.280 3.516 20 0 BHADRN CC1(C(=O)OCc2cc3ccccc3s2)CC1 ZINC000754844873 584932743 /nfs/dbraw/zinc/93/27/43/584932743.db2.gz ZGXBGYDNSWKNJI-UHFFFAOYSA-N 0 0 246.331 3.745 20 0 BHADRN CCC(CC)OC(=O)c1c(F)ccc(C)c1F ZINC000754866901 644613299 /nfs/dbraw/zinc/61/32/99/644613299.db2.gz LFOXLRMEDGMUNY-UHFFFAOYSA-N 0 0 242.265 3.619 20 0 BHADRN CCC(CC)OC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000754867631 644613260 /nfs/dbraw/zinc/61/32/60/644613260.db2.gz NNHHHOHSIDEVCK-HNNXBMFYSA-N 0 0 246.350 3.912 20 0 BHADRN CCC(CC)OC(=O)[C@H](c1ccccc1)C1CC1 ZINC000754867632 644613000 /nfs/dbraw/zinc/61/30/00/644613000.db2.gz NNHHHOHSIDEVCK-OAHLLOKOSA-N 0 0 246.350 3.912 20 0 BHADRN CC1(NC(=O)C=C2CCC(C)(C)CC2)CCC1 ZINC000754880807 585292014 /nfs/dbraw/zinc/29/20/14/585292014.db2.gz PPOJTFDOEVBQKH-UHFFFAOYSA-N 0 0 235.371 3.572 20 0 BHADRN CC[C@@H](C)c1ccc(C(=O)NC2(C)CCC2)cc1 ZINC000754881713 585292023 /nfs/dbraw/zinc/29/20/23/585292023.db2.gz WWBTVGCMBVDNTG-GFCCVEGCSA-N 0 0 245.366 3.873 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)NC2(C)CCC2)cc1 ZINC000754881718 585291959 /nfs/dbraw/zinc/29/19/59/585291959.db2.gz WWBTVGCMBVDNTG-LBPRGKRZSA-N 0 0 245.366 3.873 20 0 BHADRN CCC(CC)OC(=O)CCCC[C@@H](C)C(C)=O ZINC000754891282 585292221 /nfs/dbraw/zinc/29/22/21/585292221.db2.gz VGLMVGJWCAOETP-LLVKDONJSA-N 0 0 242.359 3.504 20 0 BHADRN CCC(CC)OC(=O)CCCC[C@H](C)C(C)=O ZINC000754891283 585292232 /nfs/dbraw/zinc/29/22/32/585292232.db2.gz VGLMVGJWCAOETP-NSHDSACASA-N 0 0 242.359 3.504 20 0 BHADRN CCCc1ccc(NC(=O)NC2(C)CCC2)cc1 ZINC000754896523 585292229 /nfs/dbraw/zinc/29/22/29/585292229.db2.gz IQRJLBJXBHCIHO-UHFFFAOYSA-N 0 0 246.354 3.703 20 0 BHADRN CC(C)CCCCCCNC(=O)N(C)C(C)C ZINC000754908509 585292154 /nfs/dbraw/zinc/29/21/54/585292154.db2.gz WTOWPIWKEZCDOB-UHFFFAOYSA-N 0 0 242.407 3.643 20 0 BHADRN CC[C@@H](C)OC(=O)c1cccc(C)c1Cl ZINC000754974456 585292742 /nfs/dbraw/zinc/29/27/42/585292742.db2.gz IHSUMFQHCKDCIL-SECBINFHSA-N 0 0 226.703 3.604 20 0 BHADRN CC[C@H](C)OC(=O)c1cccc(C)c1Cl ZINC000754974459 585292751 /nfs/dbraw/zinc/29/27/51/585292751.db2.gz IHSUMFQHCKDCIL-VIFPVBQESA-N 0 0 226.703 3.604 20 0 BHADRN Cc1cccc(C(=O)OCC2CCC2)c1Cl ZINC000754975813 585292932 /nfs/dbraw/zinc/29/29/32/585292932.db2.gz OLLGJCSQMPODLH-UHFFFAOYSA-N 0 0 238.714 3.605 20 0 BHADRN Cc1cccc(C(=O)OC/C=C\Cl)c1Cl ZINC000754975909 585292837 /nfs/dbraw/zinc/29/28/37/585292837.db2.gz PPEZYHUWCJDSTD-UTCJRWHESA-N 0 0 245.105 3.558 20 0 BHADRN Cc1cccc(C(=O)OC/C=C/Cl)c1Cl ZINC000754975913 585292835 /nfs/dbraw/zinc/29/28/35/585292835.db2.gz PPEZYHUWCJDSTD-ZZXKWVIFSA-N 0 0 245.105 3.558 20 0 BHADRN Cc1cccc(C(=O)OCCC2CC2)c1Cl ZINC000754986449 584939513 /nfs/dbraw/zinc/93/95/13/584939513.db2.gz AAJCLRLCXKXIKY-UHFFFAOYSA-N 0 0 238.714 3.605 20 0 BHADRN CCCCCCOC(=O)/C=C\c1ccc(C)nc1 ZINC000754999736 585293028 /nfs/dbraw/zinc/29/30/28/585293028.db2.gz PKTBXHGOVLRSPN-KTKRTIGZSA-N 0 0 247.338 3.527 20 0 BHADRN CCCCCCOC(=O)/C=C/c1ccc(C)nc1 ZINC000754999739 585293015 /nfs/dbraw/zinc/29/30/15/585293015.db2.gz PKTBXHGOVLRSPN-MDZDMXLPSA-N 0 0 247.338 3.527 20 0 BHADRN CCCCSCC(=O)N(CCC)C(C)(C)C ZINC000755025029 585293684 /nfs/dbraw/zinc/29/36/84/585293684.db2.gz CFHMKJCXROINDZ-UHFFFAOYSA-N 0 0 245.432 3.557 20 0 BHADRN CCCN(C(=O)C=C1CCCC1)C(C)(C)C ZINC000755025796 585293418 /nfs/dbraw/zinc/29/34/18/585293418.db2.gz JKPCFVCFULGMCN-UHFFFAOYSA-N 0 0 223.360 3.524 20 0 BHADRN CCCN(C(=O)/C=C1/CC[C@H](C)C1)C(C)(C)C ZINC000755026490 585293556 /nfs/dbraw/zinc/29/35/56/585293556.db2.gz OMCMPFXKOLQFEX-KLDSGFLGSA-N 0 0 237.387 3.770 20 0 BHADRN CCCN(C(=O)/C=C1/CC[C@@H](C)C1)C(C)(C)C ZINC000755026491 585293710 /nfs/dbraw/zinc/29/37/10/585293710.db2.gz OMCMPFXKOLQFEX-NPRUJURCSA-N 0 0 237.387 3.770 20 0 BHADRN CCCN(C(=O)/C=C1\CC[C@H](C)C1)C(C)(C)C ZINC000755026492 585293552 /nfs/dbraw/zinc/29/35/52/585293552.db2.gz OMCMPFXKOLQFEX-OWRWYXLESA-N 0 0 237.387 3.770 20 0 BHADRN CCCN(C(=O)/C=C1\CC[C@@H](C)C1)C(C)(C)C ZINC000755026494 585293434 /nfs/dbraw/zinc/29/34/34/585293434.db2.gz OMCMPFXKOLQFEX-RVROTUBLSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCCCC(=O)N(CCC)C(C)(C)C ZINC000755026748 585293533 /nfs/dbraw/zinc/29/35/33/585293533.db2.gz SIPYVKNYJOCQRM-UHFFFAOYSA-N 0 0 227.392 3.994 20 0 BHADRN CCCN(C(=O)C=C1CCCCC1)C(C)(C)C ZINC000755027620 585293669 /nfs/dbraw/zinc/29/36/69/585293669.db2.gz ZPQFTFBPVFNYNE-UHFFFAOYSA-N 0 0 237.387 3.914 20 0 BHADRN CC[C@@H](C)c1ccc(C(=O)N[C@@H](C)CC)cc1 ZINC000755033742 584944216 /nfs/dbraw/zinc/94/42/16/584944216.db2.gz HIKRFJRQTHKIKI-NEPJUHHUSA-N 0 0 233.355 3.728 20 0 BHADRN CC[C@@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000755033774 584944209 /nfs/dbraw/zinc/94/42/09/584944209.db2.gz HIKRFJRQTHKIKI-NWDGAFQWSA-N 0 0 233.355 3.728 20 0 BHADRN CC[C@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000755033784 584944231 /nfs/dbraw/zinc/94/42/31/584944231.db2.gz HIKRFJRQTHKIKI-RYUDHWBXSA-N 0 0 233.355 3.728 20 0 BHADRN CC[C@@H](C)NC(=O)c1ccc([C@H](C)CC)cc1 ZINC000755033792 584944207 /nfs/dbraw/zinc/94/42/07/584944207.db2.gz HIKRFJRQTHKIKI-VXGBXAGGSA-N 0 0 233.355 3.728 20 0 BHADRN CCCCC[C@@H](C(=O)N[C@H](C)CC)C(C)C ZINC000755034010 585293646 /nfs/dbraw/zinc/29/36/46/585293646.db2.gz JACXBSKOQHQGOH-CHWSQXEVSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C(=O)N[C@H](C)CC)C(C)C ZINC000755034012 585293419 /nfs/dbraw/zinc/29/34/19/585293419.db2.gz JACXBSKOQHQGOH-OLZOCXBDSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@@H](C(=O)N[C@@H](C)CC)C(C)C ZINC000755034013 585292981 /nfs/dbraw/zinc/29/29/81/585292981.db2.gz JACXBSKOQHQGOH-QWHCGFSZSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C(=O)N[C@@H](C)CC)C(C)C ZINC000755034014 585292887 /nfs/dbraw/zinc/29/28/87/585292887.db2.gz JACXBSKOQHQGOH-STQMWFEESA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@@H](C(=O)N(CC)CC)C(C)C ZINC000755034104 585293472 /nfs/dbraw/zinc/29/34/72/585293472.db2.gz NKJKIAOHEUVZPH-CYBMUJFWSA-N 0 0 227.392 3.707 20 0 BHADRN CCCCC[C@H](C(=O)N(CC)CC)C(C)C ZINC000755034106 585293683 /nfs/dbraw/zinc/29/36/83/585293683.db2.gz NKJKIAOHEUVZPH-ZDUSSCGKSA-N 0 0 227.392 3.707 20 0 BHADRN CCCCC[C@H](C(=O)Nc1cccnc1)C(C)C ZINC000755034382 585293466 /nfs/dbraw/zinc/29/34/66/585293466.db2.gz RANSFYQRFCYTHS-AWEZNQCLSA-N 0 0 248.370 3.873 20 0 BHADRN CCCCC[C@@H](C(=O)Nc1cccnc1)C(C)C ZINC000755034383 585293605 /nfs/dbraw/zinc/29/36/05/585293605.db2.gz RANSFYQRFCYTHS-CQSZACIVSA-N 0 0 248.370 3.873 20 0 BHADRN CCCCC[C@@H](C(=O)NCCCC)C(C)C ZINC000755034419 585293596 /nfs/dbraw/zinc/29/35/96/585293596.db2.gz SNWWFCUBMUWLIP-CYBMUJFWSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@H](C(=O)NCCCC)C(C)C ZINC000755034421 585293697 /nfs/dbraw/zinc/29/36/97/585293697.db2.gz SNWWFCUBMUWLIP-ZDUSSCGKSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCNC(=O)c1ccc([C@H](C)CC)cc1 ZINC000755034727 585293428 /nfs/dbraw/zinc/29/34/28/585293428.db2.gz ZAYUDDCCKSEODE-GFCCVEGCSA-N 0 0 233.355 3.730 20 0 BHADRN CCCCNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000755034728 585293567 /nfs/dbraw/zinc/29/35/67/585293567.db2.gz ZAYUDDCCKSEODE-LBPRGKRZSA-N 0 0 233.355 3.730 20 0 BHADRN Cc1cccc(C(=O)OC2CCCC2)c1Cl ZINC000755040780 585293742 /nfs/dbraw/zinc/29/37/42/585293742.db2.gz AOWBEMPGACOZDY-UHFFFAOYSA-N 0 0 238.714 3.748 20 0 BHADRN Cc1cccc(C(=O)O[C@H](C)C2CC2)c1Cl ZINC000755042367 585293804 /nfs/dbraw/zinc/29/38/04/585293804.db2.gz MSQGZNGGWMSOCH-SECBINFHSA-N 0 0 238.714 3.604 20 0 BHADRN Cc1cccc(C(=O)O[C@@H](C)C2CC2)c1Cl ZINC000755042368 585293981 /nfs/dbraw/zinc/29/39/81/585293981.db2.gz MSQGZNGGWMSOCH-VIFPVBQESA-N 0 0 238.714 3.604 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)NC1(C)CCC1 ZINC000755055236 585293935 /nfs/dbraw/zinc/29/39/35/585293935.db2.gz XRWRQPGMBLBYPN-GFCCVEGCSA-N 0 0 240.391 3.587 20 0 BHADRN CCCCCC[C@H](C)NC(=O)NC1(C)CCC1 ZINC000755055369 585293825 /nfs/dbraw/zinc/29/38/25/585293825.db2.gz XRWRQPGMBLBYPN-LBPRGKRZSA-N 0 0 240.391 3.587 20 0 BHADRN CC[C@H](C)C[S@@](=O)[C@H](C)c1cccs1 ZINC000755059184 585294193 /nfs/dbraw/zinc/29/41/93/585294193.db2.gz ACTXCBUSODPGHU-IMSIIYSGSA-N 0 0 230.398 3.604 20 0 BHADRN CC[C@H](C)C[S@](=O)[C@H](C)c1cccs1 ZINC000755059185 585294152 /nfs/dbraw/zinc/29/41/52/585294152.db2.gz ACTXCBUSODPGHU-RBZYPMLTSA-N 0 0 230.398 3.604 20 0 BHADRN CCCCC[C@@H](C(=O)NCC(C)C)C(C)C ZINC000755065175 585294275 /nfs/dbraw/zinc/29/42/75/585294275.db2.gz TUZRHNNSZGYKFU-CYBMUJFWSA-N 0 0 227.392 3.611 20 0 BHADRN CCCCC[C@H](C(=O)NCC(C)C)C(C)C ZINC000755065176 585294088 /nfs/dbraw/zinc/29/40/88/585294088.db2.gz TUZRHNNSZGYKFU-ZDUSSCGKSA-N 0 0 227.392 3.611 20 0 BHADRN CCCCC[C@H](C(=O)NC1CCCC1)C(C)C ZINC000755067024 585294059 /nfs/dbraw/zinc/29/40/59/585294059.db2.gz 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BHADRN CC(C)(C(=O)Oc1ccccc1)C1CCCC1 ZINC000756878585 585324605 /nfs/dbraw/zinc/32/46/05/585324605.db2.gz BHGDMCAHCHGRAI-UHFFFAOYSA-N 0 0 232.323 3.808 20 0 BHADRN CCCCCCNC(=O)C(C)(C)C1CCCC1 ZINC000756905921 585324929 /nfs/dbraw/zinc/32/49/29/585324929.db2.gz PTVOJOKVPKYGAW-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CCC1(C(=O)Oc2cccc(F)c2)CCCC1 ZINC000756907054 585325078 /nfs/dbraw/zinc/32/50/78/585325078.db2.gz GGRSKLHITRBVIW-UHFFFAOYSA-N 0 0 236.286 3.702 20 0 BHADRN CC(C)CC1(C(=O)Oc2ccccc2)CCC1 ZINC000756907094 585324975 /nfs/dbraw/zinc/32/49/75/585324975.db2.gz HOVIOJREDGUPQQ-UHFFFAOYSA-N 0 0 232.323 3.808 20 0 BHADRN CCC1(C(=O)Oc2ccc(F)cc2)CCCC1 ZINC000756907264 585324839 /nfs/dbraw/zinc/32/48/39/585324839.db2.gz MIEFLXVJTNOTQZ-UHFFFAOYSA-N 0 0 236.286 3.702 20 0 BHADRN CCC1(C(=O)Oc2ccccc2)CCCC1 ZINC000756907496 585324836 /nfs/dbraw/zinc/32/48/36/585324836.db2.gz RSQPVJBJJHOCLL-UHFFFAOYSA-N 0 0 218.296 3.562 20 0 BHADRN CCCCCCNC(=O)C1(CC)CCCC1 ZINC000756908217 585325077 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586461986 /nfs/dbraw/zinc/46/19/86/586461986.db2.gz XYMYBHHQWUGBPP-UHFFFAOYSA-N 0 0 216.255 3.810 20 0 BHADRN COc1ccc(-c2ccccc2C)cc1F ZINC000757568852 586462016 /nfs/dbraw/zinc/46/20/16/586462016.db2.gz OGIQGKYCELZGRN-UHFFFAOYSA-N 0 0 216.255 3.810 20 0 BHADRN COc1cccc(-c2ccc(C3CC3)nc2)c1F ZINC000757568976 586461973 /nfs/dbraw/zinc/46/19/73/586461973.db2.gz UNZALKPGCQJXMS-UHFFFAOYSA-N 0 0 243.281 3.774 20 0 BHADRN COc1ccc(-c2ccc(C3CC3)nc2)c(F)c1 ZINC000757570360 586462727 /nfs/dbraw/zinc/46/27/27/586462727.db2.gz CJVKBQNRRCQKBD-UHFFFAOYSA-N 0 0 243.281 3.774 20 0 BHADRN Cc1ccc(-c2cc(OC(C)C)ccn2)c(F)c1 ZINC000757570374 586462661 /nfs/dbraw/zinc/46/26/61/586462661.db2.gz DMBHKPVKLZMYNF-UHFFFAOYSA-N 0 0 245.297 3.983 20 0 BHADRN COc1ccc(-c2ccc(C3CC3)nc2)cc1F ZINC000757572694 586382806 /nfs/dbraw/zinc/38/28/06/586382806.db2.gz STKZHCZYXUDUGY-UHFFFAOYSA-N 0 0 243.281 3.774 20 0 BHADRN CCOc1ccnc(-c2ccc(C)cc2F)c1 ZINC000757573667 586463166 /nfs/dbraw/zinc/46/31/66/586463166.db2.gz 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ZINC000757799433 585345533 /nfs/dbraw/zinc/34/55/33/585345533.db2.gz VPAJESSHQKCNTB-BFHYXJOUSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000757799437 585345638 /nfs/dbraw/zinc/34/56/38/585345638.db2.gz VPAJESSHQKCNTB-IHRRRGAJSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1[C@H](C)CC[C@@H]1C ZINC000757799438 585345630 /nfs/dbraw/zinc/34/56/30/585345630.db2.gz VPAJESSHQKCNTB-MCIONIFRSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1[C@H](C)CC[C@@H]1C ZINC000757799442 585345515 /nfs/dbraw/zinc/34/55/15/585345515.db2.gz VPAJESSHQKCNTB-MELADBBJSA-N 0 0 239.403 3.992 20 0 BHADRN CCCOc1ccc(OC(=O)CC2(C)CC2)cc1 ZINC000757805044 644632171 /nfs/dbraw/zinc/63/21/71/644632171.db2.gz JOISFLSOQOVNSV-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)CC2(C)CC2)c1 ZINC000757805528 585345485 /nfs/dbraw/zinc/34/54/85/585345485.db2.gz LWURSWCVKOGODM-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CC(C)CCCNC(=O)c1cc(Cl)cs1 ZINC000757810814 585345681 /nfs/dbraw/zinc/34/56/81/585345681.db2.gz DTEZMIZQQWGKDM-UHFFFAOYSA-N 0 0 245.775 3.568 20 0 BHADRN CC(C)c1ccccc1OC(=O)CC1(C)CC1 ZINC000757816178 585345523 /nfs/dbraw/zinc/34/55/23/585345523.db2.gz LIVVUMINSGHXRQ-UHFFFAOYSA-N 0 0 232.323 3.906 20 0 BHADRN C/C=C/C=C\C(=O)N1CCCC[C@H]1CC(C)C ZINC000757818927 585345956 /nfs/dbraw/zinc/34/59/56/585345956.db2.gz QIVQGAQPWSLIHA-CKRGZEIDSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N1CCCC[C@@H]1CC(C)C ZINC000757818930 585345831 /nfs/dbraw/zinc/34/58/31/585345831.db2.gz QIVQGAQPWSLIHA-JHRMQHDXSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CCCC[C@@H]1CC(C)C ZINC000757818932 585345796 /nfs/dbraw/zinc/34/57/96/585345796.db2.gz QIVQGAQPWSLIHA-OZDJLMEJSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N1CCCC[C@H]1CC(C)C ZINC000757818934 585345702 /nfs/dbraw/zinc/34/57/02/585345702.db2.gz QIVQGAQPWSLIHA-QGVGXKPQSA-N 0 0 235.371 3.546 20 0 BHADRN CC(C)C[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC000757820808 585345966 /nfs/dbraw/zinc/34/59/66/585345966.db2.gz VJWSASLLARJSHQ-AWEZNQCLSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)C[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC000757820810 585345526 /nfs/dbraw/zinc/34/55/26/585345526.db2.gz VJWSASLLARJSHQ-CQSZACIVSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)=C(C)C(=O)N1CCCC[C@H]1CC(C)C ZINC000757820988 585345909 /nfs/dbraw/zinc/34/59/09/585345909.db2.gz VYVHYOBJFODUIU-AWEZNQCLSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)=C(C)C(=O)N1CCCC[C@@H]1CC(C)C ZINC000757820994 585345957 /nfs/dbraw/zinc/34/59/57/585345957.db2.gz VYVHYOBJFODUIU-CQSZACIVSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(\C)C(=O)N1CCCC[C@H]1CC(C)C ZINC000757821676 585345943 /nfs/dbraw/zinc/34/59/43/585345943.db2.gz XFHMFZKQZZDOTK-CZAWJFPGSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(\C)C(=O)N1CCCC[C@@H]1CC(C)C ZINC000757821678 585345844 /nfs/dbraw/zinc/34/58/44/585345844.db2.gz XFHMFZKQZZDOTK-MAUPQMMJSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCCC[C@H]1CC(C)C ZINC000757821681 585345686 /nfs/dbraw/zinc/34/56/86/585345686.db2.gz XFHMFZKQZZDOTK-MQJVFOOVSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCCC[C@@H]1CC(C)C ZINC000757821685 585345540 /nfs/dbraw/zinc/34/55/40/585345540.db2.gz XFHMFZKQZZDOTK-YLHGKKIISA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C/C(=O)N1CCCC[C@@H]1CC(C)C)C1CC1 ZINC000757821798 585345875 /nfs/dbraw/zinc/34/58/75/585345875.db2.gz XTKMBFCNNOLDNG-BMOGTNHUSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(=O)N1CCCC[C@H]1CC(C)C)C1CC1 ZINC000757821800 585345729 /nfs/dbraw/zinc/34/57/29/585345729.db2.gz XTKMBFCNNOLDNG-FQNOHDAGSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(=O)N1CCCC[C@@H]1CC(C)C)C1CC1 ZINC000757821801 585345782 /nfs/dbraw/zinc/34/57/82/585345782.db2.gz XTKMBFCNNOLDNG-HFBDAHEESA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(=O)N1CCCC[C@H]1CC(C)C)C1CC1 ZINC000757821804 585345734 /nfs/dbraw/zinc/34/57/34/585345734.db2.gz XTKMBFCNNOLDNG-HVCHUGMYSA-N 0 0 249.398 3.770 20 0 BHADRN CC[C@H](C)OC(=O)C(C)(C)C1CCCC1 ZINC000757837042 585345936 /nfs/dbraw/zinc/34/59/36/585345936.db2.gz MCQXCMVREIYNHP-JTQLQIEISA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H](C)OC(=O)C(C)(C)C1CCCC1 ZINC000757837043 585345762 /nfs/dbraw/zinc/34/57/62/585345762.db2.gz MCQXCMVREIYNHP-SNVBAGLBSA-N 0 0 212.333 3.545 20 0 BHADRN CCCCCC[N@H+](C)Cc1cc(Cl)cn1C ZINC000757840712 585345741 /nfs/dbraw/zinc/34/57/41/585345741.db2.gz QENDYGYBDPWOTI-UHFFFAOYSA-N 0 0 242.794 3.691 20 0 BHADRN CC(C)(C(=O)OCCC1CC1)C1CCCC1 ZINC000757842301 585345747 /nfs/dbraw/zinc/34/57/47/585345747.db2.gz QYUPYEJGUHFHLE-UHFFFAOYSA-N 0 0 224.344 3.546 20 0 BHADRN CC(C)c1ccc(OC(=O)CC2(C)CC2)cc1 ZINC000757843228 585345908 /nfs/dbraw/zinc/34/59/08/585345908.db2.gz ZJNREXLTXHOITI-UHFFFAOYSA-N 0 0 232.323 3.906 20 0 BHADRN CSc1ccc(OC(=O)CC2(C)CC2)cc1 ZINC000757854415 585346015 /nfs/dbraw/zinc/34/60/15/585346015.db2.gz OBANETOKHSNZQF-UHFFFAOYSA-N 0 0 236.336 3.504 20 0 BHADRN CC(F)(F)CC(=O)NCC1CCCCCCC1 ZINC000757854971 585346192 /nfs/dbraw/zinc/34/61/92/585346192.db2.gz IPMSMEHVYQTMDU-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CC1(CC(=O)Oc2ccc(Cl)cc2F)CC1 ZINC000757856397 585346056 /nfs/dbraw/zinc/34/60/56/585346056.db2.gz GXDNIDMLJQJVAR-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN CC1(CC(=O)NCC2CCCCCCC2)CC1 ZINC000757856617 585345983 /nfs/dbraw/zinc/34/59/83/585345983.db2.gz TWNLMKSKUNXVKJ-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)CC2(C)CC2)c1 ZINC000757872033 585346314 /nfs/dbraw/zinc/34/63/14/585346314.db2.gz WFTUXCKQSQSYPF-UHFFFAOYSA-N 0 0 232.323 3.707 20 0 BHADRN C/C=C\COC(=O)C1(Cc2ccccc2)CCC1 ZINC000757881351 585346250 /nfs/dbraw/zinc/34/62/50/585346250.db2.gz PCPPQYJQQSBQFV-IHWYPQMZSA-N 0 0 244.334 3.519 20 0 BHADRN C/C=C/COC(=O)C1(Cc2ccccc2)CCC1 ZINC000757881357 585346354 /nfs/dbraw/zinc/34/63/54/585346354.db2.gz PCPPQYJQQSBQFV-NSCUHMNNSA-N 0 0 244.334 3.519 20 0 BHADRN CCC[C@@H](CC)NC(=O)c1cc(Cl)cs1 ZINC000757885498 585346321 /nfs/dbraw/zinc/34/63/21/585346321.db2.gz KXGNFEMOWRYGNW-SECBINFHSA-N 0 0 245.775 3.710 20 0 BHADRN CCC[C@H](CC)NC(=O)c1cc(Cl)cs1 ZINC000757885499 585346412 /nfs/dbraw/zinc/34/64/12/585346412.db2.gz KXGNFEMOWRYGNW-VIFPVBQESA-N 0 0 245.775 3.710 20 0 BHADRN CC1(CC(=O)OCc2cc3ccccc3o2)CC1 ZINC000757897147 585346541 /nfs/dbraw/zinc/34/65/41/585346541.db2.gz TXLMPTQVVPROEO-UHFFFAOYSA-N 0 0 244.290 3.666 20 0 BHADRN CC1(OC(=O)C[C@H]2CCc3ccccc32)CCC1 ZINC000757918637 584903883 /nfs/dbraw/zinc/90/38/83/584903883.db2.gz ABUJCLBYLBTQNL-CYBMUJFWSA-N 0 0 244.334 3.592 20 0 BHADRN CC1(OC(=O)C[C@@H]2CCc3ccccc32)CCC1 ZINC000757918639 584903996 /nfs/dbraw/zinc/90/39/96/584903996.db2.gz ABUJCLBYLBTQNL-ZDUSSCGKSA-N 0 0 244.334 3.592 20 0 BHADRN CC1(OC(=O)c2cc3occc3s2)CCC1 ZINC000757918684 585346598 /nfs/dbraw/zinc/34/65/98/585346598.db2.gz CSVJYCYDXOALKE-UHFFFAOYSA-N 0 0 236.292 3.594 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)OC2(C)CCC2)c1 ZINC000757919229 585346960 /nfs/dbraw/zinc/34/69/60/585346960.db2.gz LAMVBCWSNANFPZ-GFCCVEGCSA-N 0 0 232.323 3.584 20 0 BHADRN Cc1cccc([C@H](C)C(=O)OC2(C)CCC2)c1 ZINC000757919230 585347059 /nfs/dbraw/zinc/34/70/59/585347059.db2.gz LAMVBCWSNANFPZ-LBPRGKRZSA-N 0 0 232.323 3.584 20 0 BHADRN CC1(OC(=O)c2cccc(F)c2Cl)CCC1 ZINC000757919240 585346897 /nfs/dbraw/zinc/34/68/97/585346897.db2.gz MHAJZCXQPFAAOB-UHFFFAOYSA-N 0 0 242.677 3.579 20 0 BHADRN C/C(=C/c1ccc(F)cc1)C(=O)OC1(C)CCC1 ZINC000757919480 585346995 /nfs/dbraw/zinc/34/69/95/585346995.db2.gz PMUANXSMSGXLEH-KHPPLWFESA-N 0 0 248.297 3.715 20 0 BHADRN C/C(=C\c1ccc(F)cc1)C(=O)OC1(C)CCC1 ZINC000757919483 585346927 /nfs/dbraw/zinc/34/69/27/585346927.db2.gz PMUANXSMSGXLEH-ZHACJKMWSA-N 0 0 248.297 3.715 20 0 BHADRN C/C(=C/C(=O)OC1(C)CCC1)c1cccc(F)c1 ZINC000757919836 585346985 /nfs/dbraw/zinc/34/69/85/585346985.db2.gz SQBZWYBKKPLPNJ-LUAWRHEFSA-N 0 0 248.297 3.715 20 0 BHADRN C/C(=C\C(=O)OC1(C)CCC1)c1cccc(F)c1 ZINC000757919838 585346858 /nfs/dbraw/zinc/34/68/58/585346858.db2.gz SQBZWYBKKPLPNJ-PKNBQFBNSA-N 0 0 248.297 3.715 20 0 BHADRN C/C(=C/C(=O)OC1(C)CCC1)c1ccc(F)cc1 ZINC000757919936 585346957 /nfs/dbraw/zinc/34/69/57/585346957.db2.gz XKYYHDGEZAVGCV-KHPPLWFESA-N 0 0 248.297 3.715 20 0 BHADRN C/C(=C\C(=O)OC1(C)CCC1)c1ccc(F)cc1 ZINC000757919938 585346856 /nfs/dbraw/zinc/34/68/56/585346856.db2.gz XKYYHDGEZAVGCV-ZHACJKMWSA-N 0 0 248.297 3.715 20 0 BHADRN CC(C)(C(=O)OC1CCCC1)C1CCCC1 ZINC000757920415 585346831 /nfs/dbraw/zinc/34/68/31/585346831.db2.gz GTJSGOTUABYUGN-UHFFFAOYSA-N 0 0 224.344 3.689 20 0 BHADRN CC1(OC(=O)c2ccc(C(F)F)cc2)CCC1 ZINC000757922005 585347041 /nfs/dbraw/zinc/34/70/41/585347041.db2.gz BZCKUGKBJUIBGX-UHFFFAOYSA-N 0 0 240.249 3.724 20 0 BHADRN CC1(OC(=O)c2cc(F)cc(Cl)c2)CCC1 ZINC000757922006 585346594 /nfs/dbraw/zinc/34/65/94/585346594.db2.gz CCMNAZUGAZMUBZ-UHFFFAOYSA-N 0 0 242.677 3.579 20 0 BHADRN CCCCN(CC)C(=O)c1cc(Cl)cs1 ZINC000757922093 585346964 /nfs/dbraw/zinc/34/69/64/585346964.db2.gz RIZYYPISYVHZRS-UHFFFAOYSA-N 0 0 245.775 3.664 20 0 BHADRN CC1(OC(=O)c2coc3ccccc23)CCC1 ZINC000757922222 585346889 /nfs/dbraw/zinc/34/68/89/585346889.db2.gz LALBDIGNYLKJAA-UHFFFAOYSA-N 0 0 230.263 3.532 20 0 BHADRN C[C@H](CC(=O)OC1(C)CCC1)c1ccccc1 ZINC000757922273 585346894 /nfs/dbraw/zinc/34/68/94/585346894.db2.gz MBKUMORTMWEBMY-GFCCVEGCSA-N 0 0 232.323 3.666 20 0 BHADRN C[C@@H](CC(=O)OC1(C)CCC1)c1ccccc1 ZINC000757922276 585346875 /nfs/dbraw/zinc/34/68/75/585346875.db2.gz MBKUMORTMWEBMY-LBPRGKRZSA-N 0 0 232.323 3.666 20 0 BHADRN CSc1ccc(C(=O)OC2(C)CCC2)cc1 ZINC000757922974 585346898 /nfs/dbraw/zinc/34/68/98/585346898.db2.gz SOYUBXXXFOISFP-UHFFFAOYSA-N 0 0 236.336 3.508 20 0 BHADRN C/C(=C/C(=O)OC1(C)CCC1)c1ccccc1 ZINC000757923066 585346857 /nfs/dbraw/zinc/34/68/57/585346857.db2.gz XUFDLPNFYTZARR-QXMHVHEDSA-N 0 0 230.307 3.576 20 0 BHADRN C/C(=C\C(=O)OC1(C)CCC1)c1ccccc1 ZINC000757923070 585347046 /nfs/dbraw/zinc/34/70/46/585347046.db2.gz XUFDLPNFYTZARR-VAWYXSNFSA-N 0 0 230.307 3.576 20 0 BHADRN CCC(CC)CNC(=O)c1cc(Cl)cs1 ZINC000757923381 585346915 /nfs/dbraw/zinc/34/69/15/585346915.db2.gz HHFZITYSJMWCGZ-UHFFFAOYSA-N 0 0 245.775 3.568 20 0 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585364369 /nfs/dbraw/zinc/36/43/69/585364369.db2.gz ZWLJWRRWDJIHQD-LBPRGKRZSA-N 0 0 225.376 3.674 20 0 BHADRN C[C@@H]1CC[C@@H](CC(=O)Oc2cccc(F)c2)C1 ZINC000759119184 585364350 /nfs/dbraw/zinc/36/43/50/585364350.db2.gz WKCCNPKNICUAHF-GHMZBOCLSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H]1CC[C@H](CC(=O)Oc2cccc(F)c2)C1 ZINC000759119187 585364358 /nfs/dbraw/zinc/36/43/58/585364358.db2.gz WKCCNPKNICUAHF-MNOVXSKESA-N 0 0 236.286 3.557 20 0 BHADRN C[C@H]1CC[C@H](CC(=O)Oc2cccc(F)c2)C1 ZINC000759119188 585364402 /nfs/dbraw/zinc/36/44/02/585364402.db2.gz WKCCNPKNICUAHF-QWRGUYRKSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@H]1CC[C@@H](CC(=O)Oc2cccc(F)c2)C1 ZINC000759119191 585364228 /nfs/dbraw/zinc/36/42/28/585364228.db2.gz WKCCNPKNICUAHF-WDEREUQCSA-N 0 0 236.286 3.557 20 0 BHADRN CCCC1(C(=O)N2CCCCCCC2)CCC1 ZINC000759121967 585364406 /nfs/dbraw/zinc/36/44/06/585364406.db2.gz UTAMFZGSQHREDA-UHFFFAOYSA-N 0 0 237.387 3.750 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C=C(CC)CC ZINC000759133350 712409073 /nfs/dbraw/zinc/40/90/73/712409073.db2.gz BMRJAMRPEQXSQO-GFCCVEGCSA-N 0 0 225.376 3.818 20 0 BHADRN CCCCC[C@H](C)NC(=O)C=C(CC)CC ZINC000759133351 712408861 /nfs/dbraw/zinc/40/88/61/712408861.db2.gz BMRJAMRPEQXSQO-LBPRGKRZSA-N 0 0 225.376 3.818 20 0 BHADRN CCCN(CC(C)C)C(=O)C=C(CC)CC ZINC000759133654 712408864 /nfs/dbraw/zinc/40/88/64/712408864.db2.gz DSYQNBGXUZRAGS-UHFFFAOYSA-N 0 0 225.376 3.627 20 0 BHADRN CCC(=CC(=O)N[C@H]1CCCC[C@@H]1CC)CC ZINC000759134004 712408946 /nfs/dbraw/zinc/40/89/46/712408946.db2.gz BIHHMMBSDXYBBR-KBPBESRZSA-N 0 0 237.387 3.818 20 0 BHADRN CCC(=CC(=O)N[C@H]1CCCC[C@H]1CC)CC ZINC000759134008 712408905 /nfs/dbraw/zinc/40/89/05/712408905.db2.gz BIHHMMBSDXYBBR-KGLIPLIRSA-N 0 0 237.387 3.818 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CCCC[C@@H]1CC)CC ZINC000759134010 712408875 /nfs/dbraw/zinc/40/88/75/712408875.db2.gz BIHHMMBSDXYBBR-UONOGXRCSA-N 0 0 237.387 3.818 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CCCC[C@H]1CC)CC ZINC000759134013 712408969 /nfs/dbraw/zinc/40/89/69/712408969.db2.gz BIHHMMBSDXYBBR-ZIAGYGMSSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCN(C(=O)C=C(CC)CC)C1CC1 ZINC000759134130 712408839 /nfs/dbraw/zinc/40/88/39/712408839.db2.gz RDEYEURWCBLVAK-UHFFFAOYSA-N 0 0 223.360 3.524 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000759134347 712409065 /nfs/dbraw/zinc/40/90/65/712409065.db2.gz GYQLDLVJJRFWIK-HZSPNIEDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000759134349 712409057 /nfs/dbraw/zinc/40/90/57/712409057.db2.gz GYQLDLVJJRFWIK-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000759134350 712409056 /nfs/dbraw/zinc/40/90/56/712409056.db2.gz GYQLDLVJJRFWIK-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000759134352 712409059 /nfs/dbraw/zinc/40/90/59/712409059.db2.gz GYQLDLVJJRFWIK-RDBSUJKOSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(=CC(=O)N(C)CC1CCCCC1)CC ZINC000759134433 712408958 /nfs/dbraw/zinc/40/89/58/712408958.db2.gz 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NLFFRRBYGUGLBI-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCC(=CC(=O)N(C)C1CCCCCC1)CC ZINC000759137345 712409004 /nfs/dbraw/zinc/40/90/04/712409004.db2.gz MBYQQYVLZLPJPL-UHFFFAOYSA-N 0 0 237.387 3.914 20 0 BHADRN CCC(=CC(=O)N(C)[C@H](C)C(C)(C)C)CC ZINC000759137474 712408960 /nfs/dbraw/zinc/40/89/60/712408960.db2.gz UYBLANFKXDATJG-LLVKDONJSA-N 0 0 225.376 3.626 20 0 BHADRN CCC(=CC(=O)N(C)[C@@H](C)C(C)(C)C)CC ZINC000759137477 712409078 /nfs/dbraw/zinc/40/90/78/712409078.db2.gz UYBLANFKXDATJG-NSHDSACASA-N 0 0 225.376 3.626 20 0 BHADRN CCC(=CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC ZINC000759137668 712408848 /nfs/dbraw/zinc/40/88/48/712408848.db2.gz WWEOYNWJRKGSGT-GXTWGEPZSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC ZINC000759137669 712409058 /nfs/dbraw/zinc/40/90/58/712409058.db2.gz WWEOYNWJRKGSGT-JSGCOSHPSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC ZINC000759137670 712409082 /nfs/dbraw/zinc/40/90/82/712409082.db2.gz WWEOYNWJRKGSGT-OCCSQVGLSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC ZINC000759137671 712409049 /nfs/dbraw/zinc/40/90/49/712409049.db2.gz WWEOYNWJRKGSGT-TZMCWYRMSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)NCc1ccc(C)cc1C)CC ZINC000759137734 712409083 /nfs/dbraw/zinc/40/90/83/712409083.db2.gz XWCVOVWDWFBSAH-UHFFFAOYSA-N 0 0 245.366 3.666 20 0 BHADRN CCC(=CC(=O)N(CCC(C)C)C1CC1)CC ZINC000759137840 712408851 /nfs/dbraw/zinc/40/88/51/712408851.db2.gz YPCNYCNIAKOGCA-UHFFFAOYSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)N(CC)C1CCCCC1)CC ZINC000759138068 712408867 /nfs/dbraw/zinc/40/88/67/712408867.db2.gz ZXLHPOSFVQRKFG-UHFFFAOYSA-N 0 0 237.387 3.914 20 0 BHADRN CCC(=Cc1nc(-c2cccc(N)c2)no1)CC ZINC000759141173 712408882 /nfs/dbraw/zinc/40/88/82/712408882.db2.gz YYCDAUZJSZCGNC-UHFFFAOYSA-N 0 0 243.310 3.522 20 0 BHADRN CCC(=CC(=O)N(C)c1ccc(F)cc1)CC ZINC000759148820 712408967 /nfs/dbraw/zinc/40/89/67/712408967.db2.gz FTAUWAJZIWVUQW-UHFFFAOYSA-N 0 0 235.302 3.535 20 0 BHADRN CCOc1cccc(NC(=O)C=C(CC)CC)c1 ZINC000759149553 585364508 /nfs/dbraw/zinc/36/45/08/585364508.db2.gz REBDLUIGCXXKAC-UHFFFAOYSA-N 0 0 247.338 3.770 20 0 BHADRN CCC(=CC(=O)N1CC[C@H]1c1ccccc1)CC ZINC000759151759 585364502 /nfs/dbraw/zinc/36/45/02/585364502.db2.gz YRLWZXRTXQTZHJ-HNNXBMFYSA-N 0 0 243.350 3.706 20 0 BHADRN CCC(=CC(=O)N1CC[C@@H]1c1ccccc1)CC ZINC000759151760 585364527 /nfs/dbraw/zinc/36/45/27/585364527.db2.gz YRLWZXRTXQTZHJ-OAHLLOKOSA-N 0 0 243.350 3.706 20 0 BHADRN CCC(=CC(=O)N1CCC[C@H]1C1CCCC1)CC ZINC000759161310 585364489 /nfs/dbraw/zinc/36/44/89/585364489.db2.gz FNPQDUVTACLLOF-HNNXBMFYSA-N 0 0 249.398 3.914 20 0 BHADRN CCC(=CC(=O)N1CCC[C@@H]1C1CCCC1)CC ZINC000759161312 585364593 /nfs/dbraw/zinc/36/45/93/585364593.db2.gz FNPQDUVTACLLOF-OAHLLOKOSA-N 0 0 249.398 3.914 20 0 BHADRN CCC(=CC(=O)N([C@H](C)C(C)C)C1CC1)CC ZINC000759164408 585364464 /nfs/dbraw/zinc/36/44/64/585364464.db2.gz XNVKSKBIVPCMFP-GFCCVEGCSA-N 0 0 237.387 3.768 20 0 BHADRN CCC(=CC(=O)N([C@@H](C)C(C)C)C1CC1)CC ZINC000759164411 585364617 /nfs/dbraw/zinc/36/46/17/585364617.db2.gz XNVKSKBIVPCMFP-LBPRGKRZSA-N 0 0 237.387 3.768 20 0 BHADRN CCC(=CC(=O)NC(C)(C)c1ccccc1)CC ZINC000759165988 585364564 /nfs/dbraw/zinc/36/45/64/585364564.db2.gz XTGUZLASHIHLFV-UHFFFAOYSA-N 0 0 245.366 3.784 20 0 BHADRN CCC(=CC(=O)N1CCC[C@H]1CC(C)C)CC ZINC000759176916 585364978 /nfs/dbraw/zinc/36/49/78/585364978.db2.gz QERLOLHAJFBPAR-AWEZNQCLSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)N1CCC[C@@H]1CC(C)C)CC ZINC000759176918 585364817 /nfs/dbraw/zinc/36/48/17/585364817.db2.gz QERLOLHAJFBPAR-CQSZACIVSA-N 0 0 237.387 3.770 20 0 BHADRN Cc1ccc(N(C)C(=O)C[C@H]2CC[C@H](C)C2)cc1 ZINC000759178588 585364843 /nfs/dbraw/zinc/36/48/43/585364843.db2.gz CZTGLHPPUQOEAC-KBPBESRZSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccc(N(C)C(=O)C[C@H]2CC[C@@H](C)C2)cc1 ZINC000759178589 585364820 /nfs/dbraw/zinc/36/48/20/585364820.db2.gz CZTGLHPPUQOEAC-KGLIPLIRSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccc(N(C)C(=O)C[C@@H]2CC[C@H](C)C2)cc1 ZINC000759178591 585364857 /nfs/dbraw/zinc/36/48/57/585364857.db2.gz CZTGLHPPUQOEAC-UONOGXRCSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccc(N(C)C(=O)C[C@@H]2CC[C@@H](C)C2)cc1 ZINC000759178593 585364984 /nfs/dbraw/zinc/36/49/84/585364984.db2.gz CZTGLHPPUQOEAC-ZIAGYGMSSA-N 0 0 245.366 3.784 20 0 BHADRN CCC(=CC(=O)N(C)c1ccccc1F)CC ZINC000759180199 585364579 /nfs/dbraw/zinc/36/45/79/585364579.db2.gz GUVMKPUXNITEJI-UHFFFAOYSA-N 0 0 235.302 3.535 20 0 BHADRN CCC(=CC(=O)N(C(CC)CC)C1CC1)CC ZINC000759181132 585364945 /nfs/dbraw/zinc/36/49/45/585364945.db2.gz SOBABDVSKBRAIT-UHFFFAOYSA-N 0 0 237.387 3.912 20 0 BHADRN CCC(=CC(=O)NC1(c2ccccc2)CC1)CC ZINC000759181135 585364683 /nfs/dbraw/zinc/36/46/83/585364683.db2.gz MECVDGMVCZWXED-UHFFFAOYSA-N 0 0 243.350 3.538 20 0 BHADRN CCCC1(C(=O)N(C)c2ccc(C)cc2)CCC1 ZINC000759181845 585364836 /nfs/dbraw/zinc/36/48/36/585364836.db2.gz WAJSRAYMJBSXIM-UHFFFAOYSA-N 0 0 245.366 3.928 20 0 BHADRN CCC(=CC(=O)N(C(C)C)C1CCCC1)CC ZINC000759181983 585364991 /nfs/dbraw/zinc/36/49/91/585364991.db2.gz FDRXTNMHXJTKFZ-UHFFFAOYSA-N 0 0 237.387 3.912 20 0 BHADRN CCC(CC)CC(=O)N(C)c1ccc(C)cc1 ZINC000759182009 585364837 /nfs/dbraw/zinc/36/48/37/585364837.db2.gz ZEPCSZGYFRSYEV-UHFFFAOYSA-N 0 0 233.355 3.784 20 0 BHADRN CCC(=CC(=O)N1[C@@H](C)CCC[C@@H]1C)CC ZINC000759182537 585365000 /nfs/dbraw/zinc/36/50/00/585365000.db2.gz GXAFHEHQIFESIO-RYUDHWBXSA-N 0 0 223.360 3.522 20 0 BHADRN CCC(=CC(=O)N1[C@H](C)CCC[C@@H]1C)CC ZINC000759182538 585364898 /nfs/dbraw/zinc/36/48/98/585364898.db2.gz GXAFHEHQIFESIO-TXEJJXNPSA-N 0 0 223.360 3.522 20 0 BHADRN CCC(=CC(=O)N1[C@H](C)CCC[C@H]1C)CC ZINC000759182541 585364784 /nfs/dbraw/zinc/36/47/84/585364784.db2.gz GXAFHEHQIFESIO-VXGBXAGGSA-N 0 0 223.360 3.522 20 0 BHADRN CCC(=CC(=O)N1CCC[C@@H]1C(C)(C)C)CC ZINC000759182569 585364897 /nfs/dbraw/zinc/36/48/97/585364897.db2.gz HOVXHLTVJNKWCI-CYBMUJFWSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)N1CCC[C@H]1C(C)(C)C)CC ZINC000759182571 585364925 /nfs/dbraw/zinc/36/49/25/585364925.db2.gz HOVXHLTVJNKWCI-ZDUSSCGKSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)Nc1ccc(F)c(C)c1)CC ZINC000759185350 585365118 /nfs/dbraw/zinc/36/51/18/585365118.db2.gz XEDSQFLCCAMACI-UHFFFAOYSA-N 0 0 235.302 3.819 20 0 BHADRN CCC(=CC(=O)N1CCC[C@H]1C1CCC1)CC ZINC000759185532 585365020 /nfs/dbraw/zinc/36/50/20/585365020.db2.gz ZATWIHQBITURDD-AWEZNQCLSA-N 0 0 235.371 3.524 20 0 BHADRN CCC(=CC(=O)N1CCC[C@@H]1C1CCC1)CC ZINC000759185533 585365176 /nfs/dbraw/zinc/36/51/76/585365176.db2.gz ZATWIHQBITURDD-CQSZACIVSA-N 0 0 235.371 3.524 20 0 BHADRN Cc1ccc(COC(=O)CC2(C)CC2)c(C)c1 ZINC000759195264 585365393 /nfs/dbraw/zinc/36/53/93/585365393.db2.gz HXVHZZWJKMRWCZ-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN CC1(CC(=O)Oc2cccc(Cl)c2F)CC1 ZINC000759199771 585365346 /nfs/dbraw/zinc/36/53/46/585365346.db2.gz PMCFSYUXAAEKAQ-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN CCC(=CC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)CC ZINC000759216944 585365663 /nfs/dbraw/zinc/36/56/63/585365663.db2.gz FHMSENFVDRTDRU-BPLDGKMQSA-N 0 0 249.398 3.912 20 0 BHADRN CCC(=CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)CC ZINC000759216947 585365446 /nfs/dbraw/zinc/36/54/46/585365446.db2.gz FHMSENFVDRTDRU-SNPRPXQTSA-N 0 0 249.398 3.912 20 0 BHADRN CCC(=CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)CC ZINC000759216950 585365571 /nfs/dbraw/zinc/36/55/71/585365571.db2.gz FHMSENFVDRTDRU-VHDGCEQUSA-N 0 0 249.398 3.912 20 0 BHADRN CCC(=CC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)CC ZINC000759216954 585365492 /nfs/dbraw/zinc/36/54/92/585365492.db2.gz FHMSENFVDRTDRU-YUELXQCFSA-N 0 0 249.398 3.912 20 0 BHADRN CCC(=CC(=O)N[C@H]1[C@H](C)CCC[C@@H]1C)CC ZINC000759216989 585365871 /nfs/dbraw/zinc/36/58/71/585365871.db2.gz FVIIIAXATAYVOZ-JYAVWHMHSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)NC1[C@@H](C)CCC[C@@H]1C)CC ZINC000759216993 585365752 /nfs/dbraw/zinc/36/57/52/585365752.db2.gz FVIIIAXATAYVOZ-RYUDHWBXSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)NC1[C@H](C)CCC[C@H]1C)CC ZINC000759216995 585365873 /nfs/dbraw/zinc/36/58/73/585365873.db2.gz FVIIIAXATAYVOZ-VXGBXAGGSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C)CC ZINC000759217495 585365766 /nfs/dbraw/zinc/36/57/66/585365766.db2.gz BWHDQAZGHUULOH-MBNYWOFBSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C)CC ZINC000759217497 585365839 /nfs/dbraw/zinc/36/58/39/585365839.db2.gz BWHDQAZGHUULOH-OUCADQQQSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C)CC ZINC000759217500 585365674 /nfs/dbraw/zinc/36/56/74/585365674.db2.gz BWHDQAZGHUULOH-SGMGOOAPSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C)CC ZINC000759217504 585365867 /nfs/dbraw/zinc/36/58/67/585365867.db2.gz BWHDQAZGHUULOH-YRGRVCCFSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)N1CCCC[C@H]1C(C)C)CC ZINC000759217660 585365769 /nfs/dbraw/zinc/36/57/69/585365769.db2.gz KQFUKIZXCSXZDT-AWEZNQCLSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)N1CCCC[C@@H]1C(C)C)CC ZINC000759217662 585365756 /nfs/dbraw/zinc/36/57/56/585365756.db2.gz KQFUKIZXCSXZDT-CQSZACIVSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)NC[C@@H](C)C(C)(C)C)CC ZINC000759218286 585365851 /nfs/dbraw/zinc/36/58/51/585365851.db2.gz LODCUKHGBYURJX-LLVKDONJSA-N 0 0 225.376 3.531 20 0 BHADRN CCC(=CC(=O)NC[C@H](C)C(C)(C)C)CC ZINC000759218288 585365869 /nfs/dbraw/zinc/36/58/69/585365869.db2.gz LODCUKHGBYURJX-NSHDSACASA-N 0 0 225.376 3.531 20 0 BHADRN CCC(=CC(=O)N1CCC(C(C)C)CC1)CC ZINC000759218347 585365796 /nfs/dbraw/zinc/36/57/96/585365796.db2.gz HMGWQCDEVCALEK-UHFFFAOYSA-N 0 0 237.387 3.627 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)CC ZINC000759218627 585365678 /nfs/dbraw/zinc/36/56/78/585365678.db2.gz IFCOOAXTXUASAD-QLFBSQMISA-N 0 0 249.398 3.818 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)CC ZINC000759218630 585365800 /nfs/dbraw/zinc/36/58/00/585365800.db2.gz IFCOOAXTXUASAD-RBSFLKMASA-N 0 0 249.398 3.818 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)CC ZINC000759218634 585365760 /nfs/dbraw/zinc/36/57/60/585365760.db2.gz IFCOOAXTXUASAD-RRFJBIMHSA-N 0 0 249.398 3.818 20 0 BHADRN CCC(=CC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)CC ZINC000759218635 585365670 /nfs/dbraw/zinc/36/56/70/585365670.db2.gz IFCOOAXTXUASAD-SOUVJXGZSA-N 0 0 249.398 3.818 20 0 BHADRN CCC(=CC(=O)N1CCCCC[C@H]1C)CC ZINC000759218681 585365821 /nfs/dbraw/zinc/36/58/21/585365821.db2.gz OQGAAFAPUXBDNY-GFCCVEGCSA-N 0 0 223.360 3.524 20 0 BHADRN CCC(=CC(=O)N1CCC2(C1)CCCCC2)CC ZINC000759218682 585365771 /nfs/dbraw/zinc/36/57/71/585365771.db2.gz IXVXBTPIKGIYAT-UHFFFAOYSA-N 0 0 249.398 3.916 20 0 BHADRN CCC(=CC(=O)N1CCCCC[C@@H]1C)CC ZINC000759218683 585365738 /nfs/dbraw/zinc/36/57/38/585365738.db2.gz OQGAAFAPUXBDNY-LBPRGKRZSA-N 0 0 223.360 3.524 20 0 BHADRN CCC(=CC(=O)N1C2CCCC1CCC2)CC ZINC000759218775 585365777 /nfs/dbraw/zinc/36/57/77/585365777.db2.gz KEVUOCACOZLBFM-UHFFFAOYSA-N 0 0 235.371 3.666 20 0 BHADRN CCC(CC)CC(=O)NC[C@@H](C)C(C)(C)C ZINC000759219074 585365692 /nfs/dbraw/zinc/36/56/92/585365692.db2.gz SETRPCZLJYDBSX-LLVKDONJSA-N 0 0 227.392 3.611 20 0 BHADRN CCC(CC)CC(=O)NC[C@H](C)C(C)(C)C ZINC000759219075 585365864 /nfs/dbraw/zinc/36/58/64/585365864.db2.gz SETRPCZLJYDBSX-NSHDSACASA-N 0 0 227.392 3.611 20 0 BHADRN CCCC1(C(=O)NC[C@@H](C)C(C)(C)C)CCC1 ZINC000759219139 585365668 /nfs/dbraw/zinc/36/56/68/585365668.db2.gz UCYFCWXPTGQTMR-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC1(C(=O)NC[C@H](C)C(C)(C)C)CCC1 ZINC000759219141 585365687 /nfs/dbraw/zinc/36/56/87/585365687.db2.gz UCYFCWXPTGQTMR-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CNC(=O)C[C@H]1CC[C@@H](C)C1)C(C)(C)C ZINC000759219142 585365776 /nfs/dbraw/zinc/36/57/76/585365776.db2.gz UEDCZZMVPLNQAE-AGIUHOORSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H](CNC(=O)C[C@@H]1CC[C@@H](C)C1)C(C)(C)C ZINC000759219143 585365837 /nfs/dbraw/zinc/36/58/37/585365837.db2.gz UEDCZZMVPLNQAE-FRRDWIJNSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H](CNC(=O)C[C@@H]1CC[C@@H](C)C1)C(C)(C)C ZINC000759219144 585365870 /nfs/dbraw/zinc/36/58/70/585365870.db2.gz 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/nfs/dbraw/zinc/37/94/19/585379419.db2.gz CGTQEUOFVAYTKV-SVSYPLOBSA-N 0 0 245.322 3.552 20 0 BHADRN O=C(NCC1CCCCCCC1)[C@@H]1CC12CCC2 ZINC000759725689 585379657 /nfs/dbraw/zinc/37/96/57/585379657.db2.gz HJMVRKVPCARSQW-AWEZNQCLSA-N 0 0 249.398 3.653 20 0 BHADRN O=C(NCC1CCCCCCC1)[C@H]1CC12CCC2 ZINC000759725695 585379684 /nfs/dbraw/zinc/37/96/84/585379684.db2.gz HJMVRKVPCARSQW-CQSZACIVSA-N 0 0 249.398 3.653 20 0 BHADRN CN(C(=O)[C@@H]1CC12CCC2)C1CCCCCCC1 ZINC000759766731 585380112 /nfs/dbraw/zinc/38/01/12/585380112.db2.gz BMXOXPQCUIEURU-AWEZNQCLSA-N 0 0 249.398 3.748 20 0 BHADRN CN(C(=O)[C@H]1CC12CCC2)C1CCCCCCC1 ZINC000759766733 585380019 /nfs/dbraw/zinc/38/00/19/585380019.db2.gz BMXOXPQCUIEURU-CQSZACIVSA-N 0 0 249.398 3.748 20 0 BHADRN CCCCCCOC(=O)/C=C\c1ncccc1C ZINC000759789842 585380245 /nfs/dbraw/zinc/38/02/45/585380245.db2.gz LHQBDOLKSFJJBA-KTKRTIGZSA-N 0 0 247.338 3.527 20 0 BHADRN CCCCCCOC(=O)/C=C/c1ncccc1C ZINC000759789843 585380351 /nfs/dbraw/zinc/38/03/51/585380351.db2.gz LHQBDOLKSFJJBA-MDZDMXLPSA-N 0 0 247.338 3.527 20 0 BHADRN Cc1ccc(NCc2coc(C3CC3)n2)c(C)c1 ZINC000759810238 585380809 /nfs/dbraw/zinc/38/08/09/585380809.db2.gz JMQMZQZLJSKWSV-UHFFFAOYSA-N 0 0 242.322 3.781 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2CC23CCC3)c1Cl ZINC000759810922 585380560 /nfs/dbraw/zinc/38/05/60/585380560.db2.gz NLPYLAFWOXZVHA-JTQLQIEISA-N 0 0 249.741 3.777 20 0 BHADRN Cc1cccc(NC(=O)[C@H]2CC23CCC3)c1Cl ZINC000759810923 585380528 /nfs/dbraw/zinc/38/05/28/585380528.db2.gz NLPYLAFWOXZVHA-SNVBAGLBSA-N 0 0 249.741 3.777 20 0 BHADRN Cc1cc(C(=O)OCC(C)C)c(Cl)cc1F ZINC000759818783 585380931 /nfs/dbraw/zinc/38/09/31/585380931.db2.gz DPSXBRWVDHPTLT-UHFFFAOYSA-N 0 0 244.693 3.600 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)[C@H]2CC23CCC3)c1 ZINC000759821715 585381020 /nfs/dbraw/zinc/38/10/20/585381020.db2.gz NHDVWEIXONCSFM-CYBMUJFWSA-N 0 0 244.334 3.707 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)[C@@H]2CC23CCC3)c1 ZINC000759821717 585380968 /nfs/dbraw/zinc/38/09/68/585380968.db2.gz NHDVWEIXONCSFM-ZDUSSCGKSA-N 0 0 244.334 3.707 20 0 BHADRN CC(C)c1ccc(OC(=O)[C@@H]2CC23CCC3)cc1 ZINC000759822458 584907128 /nfs/dbraw/zinc/90/71/28/584907128.db2.gz VIWRRYXQOVEZAE-AWEZNQCLSA-N 0 0 244.334 3.906 20 0 BHADRN CC(C)c1ccc(OC(=O)[C@H]2CC23CCC3)cc1 ZINC000759822470 584907112 /nfs/dbraw/zinc/90/71/12/584907112.db2.gz VIWRRYXQOVEZAE-CQSZACIVSA-N 0 0 244.334 3.906 20 0 BHADRN CC(C)c1ccccc1OC(=O)[C@H]1CC12CCC2 ZINC000759823160 585380975 /nfs/dbraw/zinc/38/09/75/585380975.db2.gz ZWZPCTMPTYXXMK-CYBMUJFWSA-N 0 0 244.334 3.906 20 0 BHADRN CC(C)c1ccccc1OC(=O)[C@@H]1CC12CCC2 ZINC000759823161 585380854 /nfs/dbraw/zinc/38/08/54/585380854.db2.gz ZWZPCTMPTYXXMK-ZDUSSCGKSA-N 0 0 244.334 3.906 20 0 BHADRN C/C=C\COC(=O)c1cc(C)c(F)cc1Cl ZINC000759824884 712409567 /nfs/dbraw/zinc/40/95/67/712409567.db2.gz SXCHUHDGDIROGE-ARJAWSKDSA-N 0 0 242.677 3.520 20 0 BHADRN C/C=C/COC(=O)c1cc(C)c(F)cc1Cl ZINC000759824888 712409334 /nfs/dbraw/zinc/40/93/34/712409334.db2.gz SXCHUHDGDIROGE-ONEGZZNKSA-N 0 0 242.677 3.520 20 0 BHADRN CC[C@@H](C)OC(=O)c1cc(C)c(F)cc1Cl ZINC000759825333 712409485 /nfs/dbraw/zinc/40/94/85/712409485.db2.gz UHMCWZKYXBDVLE-MRVPVSSYSA-N 0 0 244.693 3.743 20 0 BHADRN CC[C@H](C)OC(=O)c1cc(C)c(F)cc1Cl ZINC000759825336 585380401 /nfs/dbraw/zinc/38/04/01/585380401.db2.gz UHMCWZKYXBDVLE-QMMMGPOBSA-N 0 0 244.693 3.743 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@H]1CC12CCC2 ZINC000759826524 712409375 /nfs/dbraw/zinc/40/93/75/712409375.db2.gz FRXKEYUTSHDWJF-GXTWGEPZSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@@H]1CC12CCC2 ZINC000759826525 712409435 /nfs/dbraw/zinc/40/94/35/712409435.db2.gz FRXKEYUTSHDWJF-JSGCOSHPSA-N 0 0 244.334 3.789 20 0 BHADRN C[C@H](OC(=O)[C@@H]1CC12CCC2)c1cccc(F)c1 ZINC000759830445 712409430 /nfs/dbraw/zinc/40/94/30/712409430.db2.gz YPAUYYFXPYPUSK-GWCFXTLKSA-N 0 0 248.297 3.620 20 0 BHADRN C[C@H](OC(=O)[C@H]1CC12CCC2)c1cccc(F)c1 ZINC000759830446 712409546 /nfs/dbraw/zinc/40/95/46/712409546.db2.gz YPAUYYFXPYPUSK-GXFFZTMASA-N 0 0 248.297 3.620 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CC12CCC2)c1cccc(F)c1 ZINC000759830447 712409596 /nfs/dbraw/zinc/40/95/96/712409596.db2.gz YPAUYYFXPYPUSK-MFKMUULPSA-N 0 0 248.297 3.620 20 0 BHADRN C[C@@H](OC(=O)[C@H]1CC12CCC2)c1cccc(F)c1 ZINC000759830448 712409463 /nfs/dbraw/zinc/40/94/63/712409463.db2.gz YPAUYYFXPYPUSK-ZWNOBZJWSA-N 0 0 248.297 3.620 20 0 BHADRN C[C@H](OC(=O)[C@@H]1CC12CCC2)c1ccc(F)cc1 ZINC000759835391 585381034 /nfs/dbraw/zinc/38/10/34/585381034.db2.gz UZZHDYCDAVXPDU-GWCFXTLKSA-N 0 0 248.297 3.620 20 0 BHADRN C[C@H](OC(=O)[C@H]1CC12CCC2)c1ccc(F)cc1 ZINC000759835400 585381059 /nfs/dbraw/zinc/38/10/59/585381059.db2.gz UZZHDYCDAVXPDU-GXFFZTMASA-N 0 0 248.297 3.620 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CC12CCC2)c1ccc(F)cc1 ZINC000759835406 585381047 /nfs/dbraw/zinc/38/10/47/585381047.db2.gz UZZHDYCDAVXPDU-MFKMUULPSA-N 0 0 248.297 3.620 20 0 BHADRN C[C@@H](OC(=O)[C@H]1CC12CCC2)c1ccc(F)cc1 ZINC000759835414 585381066 /nfs/dbraw/zinc/38/10/66/585381066.db2.gz UZZHDYCDAVXPDU-ZWNOBZJWSA-N 0 0 248.297 3.620 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@H]2CC23CCC3)c1 ZINC000759843082 585381269 /nfs/dbraw/zinc/38/12/69/585381269.db2.gz IYQWQTXKHMXCHB-GXTWGEPZSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@@H]2CC23CCC3)c1 ZINC000759843085 585381371 /nfs/dbraw/zinc/38/13/71/585381371.db2.gz IYQWQTXKHMXCHB-JSGCOSHPSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)[C@@H]2CC23CCC3)c1 ZINC000759843088 585381311 /nfs/dbraw/zinc/38/13/11/585381311.db2.gz IYQWQTXKHMXCHB-OCCSQVGLSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)[C@H]2CC23CCC3)c1 ZINC000759843089 585381300 /nfs/dbraw/zinc/38/13/00/585381300.db2.gz IYQWQTXKHMXCHB-TZMCWYRMSA-N 0 0 244.334 3.789 20 0 BHADRN CCCC(=O)OCCCSc1ccccc1 ZINC000759851380 585381327 /nfs/dbraw/zinc/38/13/27/585381327.db2.gz HBDWRVMINYOZIQ-UHFFFAOYSA-N 0 0 238.352 3.512 20 0 BHADRN CCCOc1cc(F)ccc1NCc1ccoc1 ZINC000759851805 585381421 /nfs/dbraw/zinc/38/14/21/585381421.db2.gz DFCMAGGKGXDNOE-UHFFFAOYSA-N 0 0 249.285 3.820 20 0 BHADRN C/C(=C/C(=O)N1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000759856866 585381705 /nfs/dbraw/zinc/38/17/05/585381705.db2.gz VPGYGDAZWIVOAU-QXMHVHEDSA-N 0 0 247.382 3.548 20 0 BHADRN C/C(=C\C(=O)N1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000759856867 585381718 /nfs/dbraw/zinc/38/17/18/585381718.db2.gz VPGYGDAZWIVOAU-VAWYXSNFSA-N 0 0 247.382 3.548 20 0 BHADRN C[C@H](CC(=O)N1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000759857274 585381680 /nfs/dbraw/zinc/38/16/80/585381680.db2.gz WVVQUWCMQVRPJA-GFCCVEGCSA-N 0 0 249.398 3.627 20 0 BHADRN C[C@@H](CC(=O)N1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000759857275 585381664 /nfs/dbraw/zinc/38/16/64/585381664.db2.gz WVVQUWCMQVRPJA-LBPRGKRZSA-N 0 0 249.398 3.627 20 0 BHADRN CC(C)=C(C)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000759860025 585381790 /nfs/dbraw/zinc/38/17/90/585381790.db2.gz SOUHKYUCKQQIJB-UHFFFAOYSA-N 0 0 235.371 3.548 20 0 BHADRN CC(C)(C)C1=CCN(C(=O)C=C2CCCC2)CC1 ZINC000759860038 585381524 /nfs/dbraw/zinc/38/15/24/585381524.db2.gz SUUMVIMRGAAPOY-UHFFFAOYSA-N 0 0 247.382 3.692 20 0 BHADRN CC(C)=CC(=O)N1CCC(CCC(C)C)CC1 ZINC000759860429 585381784 /nfs/dbraw/zinc/38/17/84/585381784.db2.gz FYWUFTPNUQSWOK-UHFFFAOYSA-N 0 0 237.387 3.627 20 0 BHADRN CC/C=C(/C)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000759861044 585381788 /nfs/dbraw/zinc/38/17/88/585381788.db2.gz BTJQYPIQCFPWRN-GHXNOFRVSA-N 0 0 235.371 3.548 20 0 BHADRN CC/C=C(\C)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000759861046 585381815 /nfs/dbraw/zinc/38/18/15/585381815.db2.gz BTJQYPIQCFPWRN-KPKJPENVSA-N 0 0 235.371 3.548 20 0 BHADRN CCC/C=C/C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000759862956 585381529 /nfs/dbraw/zinc/38/15/29/585381529.db2.gz RACQCTRGBZLLJB-BQYQJAHWSA-N 0 0 235.371 3.548 20 0 BHADRN CCC/C=C\C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000759862957 585381638 /nfs/dbraw/zinc/38/16/38/585381638.db2.gz RACQCTRGBZLLJB-FPLPWBNLSA-N 0 0 235.371 3.548 20 0 BHADRN CC(C)(C)/C=C/C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000759862981 585381645 /nfs/dbraw/zinc/38/16/45/585381645.db2.gz RZFBJEXYADUGPM-JXMROGBWSA-N 0 0 249.398 3.794 20 0 BHADRN CC(C)(C)/C=C\C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000759862982 585381810 /nfs/dbraw/zinc/38/18/10/585381810.db2.gz RZFBJEXYADUGPM-YFHOEESVSA-N 0 0 249.398 3.794 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cncc2ccccc21 ZINC000759865802 585381639 /nfs/dbraw/zinc/38/16/39/585381639.db2.gz DWDXAOMGEHTRAN-UHFFFAOYSA-N 0 0 240.306 3.530 20 0 BHADRN CCC/C=C/C(=O)Nc1cncc2ccccc21 ZINC000759866079 585381606 /nfs/dbraw/zinc/38/16/06/585381606.db2.gz FPDCMRUPGDKCCZ-RUDMXATFSA-N 0 0 240.306 3.530 20 0 BHADRN CCC/C=C\C(=O)Nc1cncc2ccccc21 ZINC000759866081 585381804 /nfs/dbraw/zinc/38/18/04/585381804.db2.gz FPDCMRUPGDKCCZ-WTKPLQERSA-N 0 0 240.306 3.530 20 0 BHADRN CC/C=C(\C)C(=O)Nc1cncc2ccccc21 ZINC000759867725 585381601 /nfs/dbraw/zinc/38/16/01/585381601.db2.gz PSBASBWOMBBPPW-IZZDOVSWSA-N 0 0 240.306 3.530 20 0 BHADRN CC[C@@H](C)c1ccc(C(=O)NC2CC=CC2)cc1 ZINC000759906483 585382497 /nfs/dbraw/zinc/38/24/97/585382497.db2.gz WTHSHJNCXSPRTL-GFCCVEGCSA-N 0 0 243.350 3.649 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)NC2CC=CC2)cc1 ZINC000759906486 585382424 /nfs/dbraw/zinc/38/24/24/585382424.db2.gz WTHSHJNCXSPRTL-LBPRGKRZSA-N 0 0 243.350 3.649 20 0 BHADRN C[C@H]1CCN(C/C(Cl)=C\Cl)CC1(C)C ZINC000759920721 585382854 /nfs/dbraw/zinc/38/28/54/585382854.db2.gz FYUQYCFZZDJUEW-CMWXKVOJSA-N 0 0 236.186 3.673 20 0 BHADRN C[C@H]1CCN(C/C(Cl)=C/Cl)CC1(C)C ZINC000759920729 585382986 /nfs/dbraw/zinc/38/29/86/585382986.db2.gz FYUQYCFZZDJUEW-LKJZUNMESA-N 0 0 236.186 3.673 20 0 BHADRN C[C@@H]1CCN(C/C(Cl)=C/Cl)CC1(C)C ZINC000759920731 585382858 /nfs/dbraw/zinc/38/28/58/585382858.db2.gz FYUQYCFZZDJUEW-WPVMNKCKSA-N 0 0 236.186 3.673 20 0 BHADRN C[C@@H]1CCN(C/C(Cl)=C\Cl)CC1(C)C ZINC000759920735 585382864 /nfs/dbraw/zinc/38/28/64/585382864.db2.gz FYUQYCFZZDJUEW-ZFZMKPAXSA-N 0 0 236.186 3.673 20 0 BHADRN C[C@H](OC(=O)[C@H]1CC12CCC2)c1ccccc1F ZINC000759973488 585383502 /nfs/dbraw/zinc/38/35/02/585383502.db2.gz CHSKQXXTUFNCHF-CMPLNLGQSA-N 0 0 248.297 3.620 20 0 BHADRN C[C@H](OC(=O)[C@@H]1CC12CCC2)c1ccccc1F ZINC000759973490 585383540 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227.392 3.899 20 0 BHADRN O=C(Oc1ccc2ccccc2c1)C1=CCCC1 ZINC000760234537 585387093 /nfs/dbraw/zinc/38/70/93/585387093.db2.gz GYPVCSSJKPQVMF-UHFFFAOYSA-N 0 0 238.286 3.856 20 0 BHADRN Cc1cccc(C(=O)OC[C@@H]2CC=CCC2)c1F ZINC000760234599 585387061 /nfs/dbraw/zinc/38/70/61/585387061.db2.gz JKJMVAZKANTTPW-GFCCVEGCSA-N 0 0 248.297 3.647 20 0 BHADRN Cc1cccc(C(=O)OC[C@H]2CC=CCC2)c1F ZINC000760234600 585386993 /nfs/dbraw/zinc/38/69/93/585386993.db2.gz JKJMVAZKANTTPW-LBPRGKRZSA-N 0 0 248.297 3.647 20 0 BHADRN CCCC1(C(=O)NC2CCCCCCC2)CC1 ZINC000760235512 585386947 /nfs/dbraw/zinc/38/69/47/585386947.db2.gz PRYBOJFFKKIDQW-UHFFFAOYSA-N 0 0 237.387 3.796 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C1(CCC)CC1 ZINC000760238593 585387243 /nfs/dbraw/zinc/38/72/43/585387243.db2.gz ALPXVWIHWUXPHT-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CCCCC[C@H](C)NC(=O)C1(CCC)CC1 ZINC000760238594 585387247 /nfs/dbraw/zinc/38/72/47/585387247.db2.gz ALPXVWIHWUXPHT-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN Cc1cc(OC(=O)C2=CCCC2)ccc1Cl 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/nfs/dbraw/zinc/38/72/59/585387259.db2.gz MKYBNCFSFLKLGU-UHFFFAOYSA-N 0 0 239.403 3.996 20 0 BHADRN Cc1ccc(C)c(OC(=O)C2=CCCC2)c1C ZINC000760243891 585387213 /nfs/dbraw/zinc/38/72/13/585387213.db2.gz UVSAPKFVBXRPQI-UHFFFAOYSA-N 0 0 230.307 3.628 20 0 BHADRN Cc1noc(C)c1/C=C\c1cc(C=O)c(C)s1 ZINC000760263990 585387938 /nfs/dbraw/zinc/38/79/38/585387938.db2.gz ISIILIQVAVMMJD-PLNGDYQASA-N 0 0 247.319 3.644 20 0 BHADRN Cc1noc(C)c1/C=C/c1cc(C=O)c(C)s1 ZINC000760263992 585387981 /nfs/dbraw/zinc/38/79/81/585387981.db2.gz ISIILIQVAVMMJD-SNAWJCMRSA-N 0 0 247.319 3.644 20 0 BHADRN Cc1ncsc1/C=C\c1cc(C=O)c(C)s1 ZINC000760265298 585387900 /nfs/dbraw/zinc/38/79/00/585387900.db2.gz RONKSPGUJIRCOE-ARJAWSKDSA-N 0 0 249.360 3.804 20 0 BHADRN Cc1ncsc1/C=C/c1cc(C=O)c(C)s1 ZINC000760265303 585388061 /nfs/dbraw/zinc/38/80/61/585388061.db2.gz RONKSPGUJIRCOE-ONEGZZNKSA-N 0 0 249.360 3.804 20 0 BHADRN Cc1sc(/C=C/c2cccnc2C)cc1C=O ZINC000760265479 585387891 /nfs/dbraw/zinc/38/78/91/585387891.db2.gz 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BHADRN C[C@H](Nc1ccc2ccccc2n1)c1ccc[nH]1 ZINC000760271610 585388307 /nfs/dbraw/zinc/38/83/07/585388307.db2.gz FJCRGBITHSSNDC-NSHDSACASA-N 0 0 237.306 3.736 20 0 BHADRN C[C@@H](Nc1nc2ccccc2s1)c1ccc[nH]1 ZINC000760272046 585388516 /nfs/dbraw/zinc/38/85/16/585388516.db2.gz JLYLHJQKXWKNKA-SECBINFHSA-N 0 0 243.335 3.798 20 0 BHADRN C[C@H](Nc1nc2ccccc2s1)c1ccc[nH]1 ZINC000760272047 585388526 /nfs/dbraw/zinc/38/85/26/585388526.db2.gz JLYLHJQKXWKNKA-VIFPVBQESA-N 0 0 243.335 3.798 20 0 BHADRN C[C@@H](Nc1nccc2sccc21)c1ccc[nH]1 ZINC000760272591 585388406 /nfs/dbraw/zinc/38/84/06/585388406.db2.gz MEQCRXVFHWYLSP-SECBINFHSA-N 0 0 243.335 3.798 20 0 BHADRN C[C@H](Nc1nccc2sccc21)c1ccc[nH]1 ZINC000760272592 585388440 /nfs/dbraw/zinc/38/84/40/585388440.db2.gz MEQCRXVFHWYLSP-VIFPVBQESA-N 0 0 243.335 3.798 20 0 BHADRN Cc1ccc2oc(N[C@@H](C)c3ccc[nH]3)nc2c1 ZINC000760273224 585388503 /nfs/dbraw/zinc/38/85/03/585388503.db2.gz QLGAWITWXRBPND-JTQLQIEISA-N 0 0 241.294 3.637 20 0 BHADRN CCCC1(C(=O)Oc2ccc(OCC)cc2)CC1 ZINC000760273824 585388358 /nfs/dbraw/zinc/38/83/58/585388358.db2.gz PGTPFIZCWCHHHB-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN Cc1ccc2oc(N[C@H](C)c3ccc[nH]3)nc2c1 ZINC000760273865 585388433 /nfs/dbraw/zinc/38/84/33/585388433.db2.gz QLGAWITWXRBPND-SNVBAGLBSA-N 0 0 241.294 3.637 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)C2=CCCC2)c1 ZINC000760278671 585388789 /nfs/dbraw/zinc/38/87/89/585388789.db2.gz CMFWPXVSYXWCFI-UHFFFAOYSA-N 0 0 236.698 3.664 20 0 BHADRN CCc1cc(OC(=O)C2(C)CC2)ccc1Cl ZINC000760282061 585388901 /nfs/dbraw/zinc/38/89/01/585388901.db2.gz UIJFAISBRGWYPF-UHFFFAOYSA-N 0 0 238.714 3.608 20 0 BHADRN CC(C)(C)c1cccc(OC(=O)C2(C)CC2)c1 ZINC000760298014 585389495 /nfs/dbraw/zinc/38/94/95/585389495.db2.gz NSZIBEPCWOLETG-UHFFFAOYSA-N 0 0 232.323 3.690 20 0 BHADRN CCCC1(C(=O)Oc2cccc(C)c2C)CC1 ZINC000760302068 585389691 /nfs/dbraw/zinc/38/96/91/585389691.db2.gz ZCBAZHXCGHESMV-UHFFFAOYSA-N 0 0 232.323 3.789 20 0 BHADRN CC(C)c1ccc(OC(=O)C2=CCCC2)cc1 ZINC000760302937 585389728 /nfs/dbraw/zinc/38/97/28/585389728.db2.gz VONASDIDIFXXJT-UHFFFAOYSA-N 0 0 230.307 3.826 20 0 BHADRN CCCC1(C(=O)Oc2ccc(C)cc2C)CC1 ZINC000760303814 585389795 /nfs/dbraw/zinc/38/97/95/585389795.db2.gz ZWAHVXLNBJEIEO-UHFFFAOYSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)C2=CCCC2)c1 ZINC000760318733 585390075 /nfs/dbraw/zinc/39/00/75/585390075.db2.gz RUODUGBFODGMQZ-UHFFFAOYSA-N 0 0 230.307 3.628 20 0 BHADRN O=C(OCc1cc2ccccc2o1)C1=CCCC1 ZINC000760318812 584907491 /nfs/dbraw/zinc/90/74/91/584907491.db2.gz AGCWQGKVTVCNED-UHFFFAOYSA-N 0 0 242.274 3.586 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C1=CCCC1 ZINC000760334696 585390388 /nfs/dbraw/zinc/39/03/88/585390388.db2.gz VLVNDLALWPYTNM-GFCCVEGCSA-N 0 0 223.360 3.572 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C1=CCCC1 ZINC000760334697 585390585 /nfs/dbraw/zinc/39/05/85/585390585.db2.gz VLVNDLALWPYTNM-LBPRGKRZSA-N 0 0 223.360 3.572 20 0 BHADRN CCN(C(=O)C1=CCCC1)c1ccc(Cl)cc1 ZINC000760337344 585390537 /nfs/dbraw/zinc/39/05/37/585390537.db2.gz 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3.847 20 0 BHADRN CC1(C(=O)N2CCC(C3CCCCC3)CC2)CC1 ZINC000760379624 585391785 /nfs/dbraw/zinc/39/17/85/585391785.db2.gz WEOLPQQREUUDRC-UHFFFAOYSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(NCC1CCCCCCC1)C1=CCCC1 ZINC000760379827 585391814 /nfs/dbraw/zinc/39/18/14/585391814.db2.gz UJBGERVZNYOMDJ-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN CN(CCSC(C)(C)C)c1ccccc1 ZINC000760385057 585391746 /nfs/dbraw/zinc/39/17/46/585391746.db2.gz XPVQUUFTJKSWEZ-UHFFFAOYSA-N 0 0 223.385 3.655 20 0 BHADRN CCCC1(C(=O)N(C)c2ccc(C)c(C)c2)CC1 ZINC000760385231 585391660 /nfs/dbraw/zinc/39/16/60/585391660.db2.gz NWBKIGMAWRPJIH-UHFFFAOYSA-N 0 0 245.366 3.847 20 0 BHADRN C[C@@H](NC(=O)CC1CCCCCC1)c1ccc[nH]1 ZINC000760419032 585392224 /nfs/dbraw/zinc/39/22/24/585392224.db2.gz UJOBGJDGAGEZNX-GFCCVEGCSA-N 0 0 248.370 3.552 20 0 BHADRN C[C@H](NC(=O)CC1CCCCCC1)c1ccc[nH]1 ZINC000760419035 585392206 /nfs/dbraw/zinc/39/22/06/585392206.db2.gz UJOBGJDGAGEZNX-LBPRGKRZSA-N 0 0 248.370 3.552 20 0 BHADRN C[C@@H](NC(=O)CCC1CCCCC1)c1ccc[nH]1 ZINC000760419969 585392116 /nfs/dbraw/zinc/39/21/16/585392116.db2.gz HJXNYTQXVMXLET-GFCCVEGCSA-N 0 0 248.370 3.552 20 0 BHADRN C[C@H](NC(=O)CCC1CCCCC1)c1ccc[nH]1 ZINC000760419973 585392187 /nfs/dbraw/zinc/39/21/87/585392187.db2.gz HJXNYTQXVMXLET-LBPRGKRZSA-N 0 0 248.370 3.552 20 0 BHADRN C[C@@H](NC(=O)CC1(C)CCCCC1)c1ccc[nH]1 ZINC000760423043 585392391 /nfs/dbraw/zinc/39/23/91/585392391.db2.gz ORFQBHSHIMLCOL-GFCCVEGCSA-N 0 0 248.370 3.552 20 0 BHADRN C[C@H](NC(=O)CC1(C)CCCCC1)c1ccc[nH]1 ZINC000760423046 585392335 /nfs/dbraw/zinc/39/23/35/585392335.db2.gz ORFQBHSHIMLCOL-LBPRGKRZSA-N 0 0 248.370 3.552 20 0 BHADRN Cc1cc(NCc2coc(C3CC3)n2)ccc1F ZINC000760441991 585392657 /nfs/dbraw/zinc/39/26/57/585392657.db2.gz JTXKHKCNOYDDGD-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN CCCC1(C(=O)N(C)c2ccc(C)cc2)CC1 ZINC000760490579 585393064 /nfs/dbraw/zinc/39/30/64/585393064.db2.gz DJDBIVSQGVPXKW-UHFFFAOYSA-N 0 0 231.339 3.538 20 0 BHADRN CCSCCSCCOCCC(C)C ZINC000760512901 585393685 /nfs/dbraw/zinc/39/36/85/585393685.db2.gz ZXBWUNHOIPDDAN-UHFFFAOYSA-N 0 0 236.446 3.535 20 0 BHADRN CCSCCSCc1ncc(C(C)C)o1 ZINC000760515313 585393657 /nfs/dbraw/zinc/39/36/57/585393657.db2.gz HQOHPYAVNJMNOW-UHFFFAOYSA-N 0 0 245.413 3.784 20 0 BHADRN CCSCCS[C@H](C)c1ncc(C)o1 ZINC000760515900 585393674 /nfs/dbraw/zinc/39/36/74/585393674.db2.gz PRHSTXANRNUJEX-SECBINFHSA-N 0 0 231.386 3.530 20 0 BHADRN CCSCCS[C@@H](C)c1ncc(C)o1 ZINC000760515902 585393618 /nfs/dbraw/zinc/39/36/18/585393618.db2.gz PRHSTXANRNUJEX-VIFPVBQESA-N 0 0 231.386 3.530 20 0 BHADRN CCSCCS[C@@H](C)c1ccncc1 ZINC000760516173 585393524 /nfs/dbraw/zinc/39/35/24/585393524.db2.gz RTQROOYNCVQSLC-JTQLQIEISA-N 0 0 227.398 3.629 20 0 BHADRN CCSCCS[C@H](C)c1ccncc1 ZINC000760516174 585393687 /nfs/dbraw/zinc/39/36/87/585393687.db2.gz RTQROOYNCVQSLC-SNVBAGLBSA-N 0 0 227.398 3.629 20 0 BHADRN Cc1ccc(N(C)C(=O)C2=CCCC2)cc1Cl ZINC000760537665 585393935 /nfs/dbraw/zinc/39/39/35/585393935.db2.gz 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ZINC000760581837 585394373 /nfs/dbraw/zinc/39/43/73/585394373.db2.gz HGDCCYUAMYCSSV-CQSZACIVSA-N 0 0 249.398 3.962 20 0 BHADRN CC1(C(=O)O[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000760583886 585394372 /nfs/dbraw/zinc/39/43/72/585394372.db2.gz AIUXGKMIAFNOKS-CYBMUJFWSA-N 0 0 248.297 3.546 20 0 BHADRN CC1(C(=O)O[C@H]2CCCc3cc(F)ccc32)CC1 ZINC000760583888 585394401 /nfs/dbraw/zinc/39/44/01/585394401.db2.gz AIUXGKMIAFNOKS-ZDUSSCGKSA-N 0 0 248.297 3.546 20 0 BHADRN CC1CCC(=CC(=O)N[C@H]2CC23CCCC3)CC1 ZINC000760585522 585394322 /nfs/dbraw/zinc/39/43/22/585394322.db2.gz VOUQSLCXBGBQTB-PYMCNQPYSA-N 0 0 247.382 3.572 20 0 BHADRN CC1CCC(=CC(=O)N[C@@H]2CC23CCCC3)CC1 ZINC000760585523 585394425 /nfs/dbraw/zinc/39/44/25/585394425.db2.gz VOUQSLCXBGBQTB-TYZXPVIJSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C\C1CCCCC1)N[C@H]1CC12CCCC2 ZINC000760585536 585394304 /nfs/dbraw/zinc/39/43/04/585394304.db2.gz VUHRCOCDWMWWBU-CKXPSTMWSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C/C1CCCCC1)N[C@@H]1CC12CCCC2 ZINC000760585538 585394351 /nfs/dbraw/zinc/39/43/51/585394351.db2.gz VUHRCOCDWMWWBU-MYSGNRETSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C\C1CCCCC1)N[C@@H]1CC12CCCC2 ZINC000760585539 585394225 /nfs/dbraw/zinc/39/42/25/585394225.db2.gz VUHRCOCDWMWWBU-QIAWRQBBSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C/C1CCCCC1)N[C@H]1CC12CCCC2 ZINC000760585541 585394248 /nfs/dbraw/zinc/39/42/48/585394248.db2.gz VUHRCOCDWMWWBU-VFNNOXKTSA-N 0 0 247.382 3.572 20 0 BHADRN CCCCc1ccc(N(C)C(=O)C2(C)CC2)cc1 ZINC000760589188 585394314 /nfs/dbraw/zinc/39/43/14/585394314.db2.gz DTIMRZIVFGGRIV-UHFFFAOYSA-N 0 0 245.366 3.792 20 0 BHADRN O=C(N[C@H]1CC12CCCC2)C1CCCCCCC1 ZINC000760590401 585394580 /nfs/dbraw/zinc/39/45/80/585394580.db2.gz SYEFECXVWWUJDO-AWEZNQCLSA-N 0 0 249.398 3.796 20 0 BHADRN O=C(N[C@@H]1CC12CCCC2)C1CCCCCCC1 ZINC000760590402 585394557 /nfs/dbraw/zinc/39/45/57/585394557.db2.gz SYEFECXVWWUJDO-CQSZACIVSA-N 0 0 249.398 3.796 20 0 BHADRN CCCC1(C(=O)OCc2ccc(C)s2)CC1 ZINC000760615500 585394689 /nfs/dbraw/zinc/39/46/89/585394689.db2.gz MIBHEESLCHITGL-UHFFFAOYSA-N 0 0 238.352 3.680 20 0 BHADRN CCCCCC(C)(C)CNC(=O)C1=CCCC1 ZINC000760615582 585394779 /nfs/dbraw/zinc/39/47/79/585394779.db2.gz NENRAFLPJOPPEB-UHFFFAOYSA-N 0 0 237.387 3.819 20 0 BHADRN CCC(CC)(CC)C(=O)NCCC1CCC1 ZINC000760616869 585394693 /nfs/dbraw/zinc/39/46/93/585394693.db2.gz OYOAZNKWZNIOTM-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC(C)(C)C(=O)OCc1cccc(C(C)C)n1 ZINC000760627309 585394910 /nfs/dbraw/zinc/39/49/10/585394910.db2.gz LISKAJDWAOETQD-UHFFFAOYSA-N 0 0 249.354 3.684 20 0 BHADRN CC(C)CCC(=O)OCc1cccc(C(C)C)n1 ZINC000760628813 585395024 /nfs/dbraw/zinc/39/50/24/585395024.db2.gz ACVXZUOKQMVMMP-UHFFFAOYSA-N 0 0 249.354 3.684 20 0 BHADRN CCC(CC)C(=O)OCc1cccc(C(C)C)n1 ZINC000760631036 585395018 /nfs/dbraw/zinc/39/50/18/585395018.db2.gz DEIUFZXMHWCNQC-UHFFFAOYSA-N 0 0 249.354 3.684 20 0 BHADRN CCCCCC(=O)OCc1cccc(C(C)C)n1 ZINC000760631774 585394984 /nfs/dbraw/zinc/39/49/84/585394984.db2.gz FFFRKNCLKSSEBW-UHFFFAOYSA-N 0 0 249.354 3.829 20 0 BHADRN CC(C)c1cccc(COC(=O)CC(C)(C)C)n1 ZINC000760631803 585394922 /nfs/dbraw/zinc/39/49/22/585394922.db2.gz GDJUMSPBLYLSPF-UHFFFAOYSA-N 0 0 249.354 3.684 20 0 BHADRN Cc1cccc(C)c1NCc1coc(C2CC2)n1 ZINC000760632822 585395021 /nfs/dbraw/zinc/39/50/21/585395021.db2.gz LCTIOTHFBKSYFT-UHFFFAOYSA-N 0 0 242.322 3.781 20 0 BHADRN CC/C=C(/C)C(=O)OCc1cccc(C(C)C)n1 ZINC000760632865 585394894 /nfs/dbraw/zinc/39/48/94/585394894.db2.gz KTLRTELLTJDXGV-GHXNOFRVSA-N 0 0 247.338 3.605 20 0 BHADRN CC/C=C(\C)C(=O)OCc1cccc(C(C)C)n1 ZINC000760632867 585394933 /nfs/dbraw/zinc/39/49/33/585394933.db2.gz KTLRTELLTJDXGV-KPKJPENVSA-N 0 0 247.338 3.605 20 0 BHADRN Cc1cc(N(C)C)cc(C)c1NCc1ccoc1 ZINC000760633735 585394866 /nfs/dbraw/zinc/39/48/66/585394866.db2.gz OLZIBPCBMXNVJM-UHFFFAOYSA-N 0 0 244.338 3.575 20 0 BHADRN CCC[C@@H](C)C(=O)OCc1cccc(C(C)C)n1 ZINC000760635727 585395026 /nfs/dbraw/zinc/39/50/26/585395026.db2.gz GIGXNDJNNBQKEC-GFCCVEGCSA-N 0 0 249.354 3.684 20 0 BHADRN CCC[C@H](C)C(=O)OCc1cccc(C(C)C)n1 ZINC000760635728 585395003 /nfs/dbraw/zinc/39/50/03/585395003.db2.gz GIGXNDJNNBQKEC-LBPRGKRZSA-N 0 0 249.354 3.684 20 0 BHADRN CC(C)c1cccc(COC(=O)[C@H](C)C(C)C)n1 ZINC000760636022 585394879 /nfs/dbraw/zinc/39/48/79/585394879.db2.gz RQCYYNYGAYBDRK-GFCCVEGCSA-N 0 0 249.354 3.540 20 0 BHADRN CC(C)c1cccc(COC(=O)[C@@H](C)C(C)C)n1 ZINC000760636024 585394952 /nfs/dbraw/zinc/39/49/52/585394952.db2.gz RQCYYNYGAYBDRK-LBPRGKRZSA-N 0 0 249.354 3.540 20 0 BHADRN CC(C)=C(C)C(=O)OCc1cccc(C(C)C)n1 ZINC000760639369 585394873 /nfs/dbraw/zinc/39/48/73/585394873.db2.gz XMZCFVKMMXVBBL-UHFFFAOYSA-N 0 0 247.338 3.605 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC1CC(F)(F)C1 ZINC000760655979 585395250 /nfs/dbraw/zinc/39/52/50/585395250.db2.gz QZEPEUMLETYUJX-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC1CC(F)(F)C1 ZINC000760655989 585395125 /nfs/dbraw/zinc/39/51/25/585395125.db2.gz QZEPEUMLETYUJX-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)CCCCCC(=O)NC1CC(F)(F)C1 ZINC000760656041 585395168 /nfs/dbraw/zinc/39/51/68/585395168.db2.gz RKGZCHINNWXOOK-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN C/C=C(/C=C\C(=O)N(CC)CCC1CC1)CC ZINC000760673977 585395333 /nfs/dbraw/zinc/39/53/33/585395333.db2.gz FCFKWCAXEBGOGT-BYFILKBQSA-N 0 0 235.371 3.548 20 0 BHADRN C/C=C(/C=C/C(=O)N(CC)CCC1CC1)CC ZINC000760673978 585395351 /nfs/dbraw/zinc/39/53/51/585395351.db2.gz FCFKWCAXEBGOGT-ZWNOIDMSSA-N 0 0 235.371 3.548 20 0 BHADRN CCCCCCC(=O)N(CC)CCC1CC1 ZINC000760673995 585395391 /nfs/dbraw/zinc/39/53/91/585395391.db2.gz GEGLOARUZALZQI-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCCC(C)(C)C(=O)NC1CC(F)(F)C1 ZINC000760675664 585395313 /nfs/dbraw/zinc/39/53/13/585395313.db2.gz FQNDVRJYVYXCJP-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CCN(CCC1CC1)C(=O)C=C1CCCCC1 ZINC000760677025 585395300 /nfs/dbraw/zinc/39/53/00/585395300.db2.gz ZRGTWCSZKRQOHP-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCN(CCC1CC1)C(=O)/C=C(/C)C(C)(C)C ZINC000760677826 585395401 /nfs/dbraw/zinc/39/54/01/585395401.db2.gz QNLLXYLNVODJOI-QXMHVHEDSA-N 0 0 237.387 3.627 20 0 BHADRN CCN(CCC1CC1)C(=O)/C=C(\C)C(C)(C)C ZINC000760677828 585394974 /nfs/dbraw/zinc/39/49/74/585394974.db2.gz QNLLXYLNVODJOI-VAWYXSNFSA-N 0 0 237.387 3.627 20 0 BHADRN CCc1ccc(CNCc2c(C)cccc2F)o1 ZINC000760678638 585395352 /nfs/dbraw/zinc/39/53/52/585395352.db2.gz IEFGYXSKZMFZHD-UHFFFAOYSA-N 0 0 247.313 3.579 20 0 BHADRN CCC1(CNC(=O)/C=C/C(C)(C)C)CCCC1 ZINC000760718617 585396130 /nfs/dbraw/zinc/39/61/30/585396130.db2.gz GTEFZQCQDBKHLD-DHZHZOJOSA-N 0 0 237.387 3.675 20 0 BHADRN CCC1(CNC(=O)/C=C\C(C)(C)C)CCCC1 ZINC000760718618 585396048 /nfs/dbraw/zinc/39/60/48/585396048.db2.gz GTEFZQCQDBKHLD-FLIBITNWSA-N 0 0 237.387 3.675 20 0 BHADRN CCC1(CNC(=O)C=C2CCCC2)CCCC1 ZINC000760718634 585395999 /nfs/dbraw/zinc/39/59/99/585395999.db2.gz HIDRFUCTYBWAPE-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN CCC1(CNC(=O)C[C@@H](C)C2CC2)CCCC1 ZINC000760719886 585396006 /nfs/dbraw/zinc/39/60/06/585396006.db2.gz STXVGJLPOHTRJQ-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CCC1(CNC(=O)C[C@H](C)C2CC2)CCCC1 ZINC000760719890 585396123 /nfs/dbraw/zinc/39/61/23/585396123.db2.gz STXVGJLPOHTRJQ-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@@H](NC(=O)CCCC1CCCC1)c1ccc[nH]1 ZINC000760730594 585396268 /nfs/dbraw/zinc/39/62/68/585396268.db2.gz WCSLDQVZQRDJFK-GFCCVEGCSA-N 0 0 248.370 3.552 20 0 BHADRN C[C@H](NC(=O)CCCC1CCCC1)c1ccc[nH]1 ZINC000760730596 585396265 /nfs/dbraw/zinc/39/62/65/585396265.db2.gz WCSLDQVZQRDJFK-LBPRGKRZSA-N 0 0 248.370 3.552 20 0 BHADRN C[C@@H](NC(=O)C1CCCCCCC1)c1ccc[nH]1 ZINC000760731370 585396509 /nfs/dbraw/zinc/39/65/09/585396509.db2.gz YMARCRCDEJGASH-GFCCVEGCSA-N 0 0 248.370 3.552 20 0 BHADRN C[C@H](NC(=O)C1CCCCCCC1)c1ccc[nH]1 ZINC000760731372 585396493 /nfs/dbraw/zinc/39/64/93/585396493.db2.gz YMARCRCDEJGASH-LBPRGKRZSA-N 0 0 248.370 3.552 20 0 BHADRN CCCC[C@H](CC)COC(=O)c1cncs1 ZINC000760744361 585396675 /nfs/dbraw/zinc/39/66/75/585396675.db2.gz LFWXLHKKUWBEJH-JTQLQIEISA-N 0 0 241.356 3.516 20 0 BHADRN CCCC[C@@H](CC)COC(=O)c1cncs1 ZINC000760744362 585396683 /nfs/dbraw/zinc/39/66/83/585396683.db2.gz LFWXLHKKUWBEJH-SNVBAGLBSA-N 0 0 241.356 3.516 20 0 BHADRN CCc1cc(Cl)c(Cl)cc1OC(=O)OC ZINC000760753423 585396699 /nfs/dbraw/zinc/39/66/99/585396699.db2.gz ODODAJNJTGSUFQ-UHFFFAOYSA-N 0 0 249.093 3.701 20 0 BHADRN C/C=C\C(=O)Nc1ccccc1SC(C)C ZINC000760804300 585397639 /nfs/dbraw/zinc/39/76/39/585397639.db2.gz JKFSYFGJQYXMHC-DAXSKMNVSA-N 0 0 235.352 3.702 20 0 BHADRN C/C=C/C(=O)Nc1ccccc1SC(C)C ZINC000760804302 585397598 /nfs/dbraw/zinc/39/75/98/585397598.db2.gz JKFSYFGJQYXMHC-QPJJXVBHSA-N 0 0 235.352 3.702 20 0 BHADRN CC(C)=CC(=O)N1CCCC[C@H]1CCC(C)C ZINC000760841191 585398832 /nfs/dbraw/zinc/39/88/32/585398832.db2.gz SRXFWZWGHGKJKZ-AWEZNQCLSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)=CC(=O)N1CCCC[C@@H]1CCC(C)C ZINC000760841192 585398776 /nfs/dbraw/zinc/39/87/76/585398776.db2.gz SRXFWZWGHGKJKZ-CQSZACIVSA-N 0 0 237.387 3.770 20 0 BHADRN CCC1(CNC(=O)C(C)=C2CCCC2)CCCC1 ZINC000760846084 585399603 /nfs/dbraw/zinc/39/96/03/585399603.db2.gz FQHITUOANVCPGW-UHFFFAOYSA-N 0 0 249.398 3.964 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC1(C2CC2)CC1 ZINC000760846700 585399562 /nfs/dbraw/zinc/39/95/62/585399562.db2.gz LPPHXJMRJCDTRG-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC1(C2CC2)CC1 ZINC000760846702 585399676 /nfs/dbraw/zinc/39/96/76/585399676.db2.gz LPPHXJMRJCDTRG-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC1(C2CC2)CC1 ZINC000760847379 585399823 /nfs/dbraw/zinc/39/98/23/585399823.db2.gz OQFBJPCDNKIISM-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC1(C2CC2)CC1 ZINC000760847380 585399588 /nfs/dbraw/zinc/39/95/88/585399588.db2.gz OQFBJPCDNKIISM-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)CCCCCC(=O)NC1(C2CC2)CC1 ZINC000760848413 585399575 /nfs/dbraw/zinc/39/95/75/585399575.db2.gz ADKKPGGNQVZVJT-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CCCC[C@H](C)Nc1ccc2c(c1)C[C@H](OC)C2 ZINC000760880639 585400823 /nfs/dbraw/zinc/40/08/23/585400823.db2.gz GDMQPWBNJKWNFG-BLLLJJGKSA-N 0 0 247.382 3.791 20 0 BHADRN CCCC[C@H](C)Nc1ccc2c(c1)C[C@@H](OC)C2 ZINC000760880640 585401185 /nfs/dbraw/zinc/40/11/85/585401185.db2.gz GDMQPWBNJKWNFG-LRDDRELGSA-N 0 0 247.382 3.791 20 0 BHADRN CCCC[C@@H](C)Nc1ccc2c(c1)C[C@H](OC)C2 ZINC000760880642 585401136 /nfs/dbraw/zinc/40/11/36/585401136.db2.gz GDMQPWBNJKWNFG-MLGOLLRUSA-N 0 0 247.382 3.791 20 0 BHADRN CCCC[C@@H](C)Nc1ccc2c(c1)C[C@@H](OC)C2 ZINC000760880644 584908618 /nfs/dbraw/zinc/90/86/18/584908618.db2.gz GDMQPWBNJKWNFG-WBMJQRKESA-N 0 0 247.382 3.791 20 0 BHADRN CO[C@H]1Cc2ccc(N[C@H](C)C(C)(C)C)cc2C1 ZINC000760882696 585400601 /nfs/dbraw/zinc/40/06/01/585400601.db2.gz LBJGRXKDMBCMOE-ABAIWWIYSA-N 0 0 247.382 3.647 20 0 BHADRN CO[C@@H]1Cc2ccc(N[C@H](C)C(C)(C)C)cc2C1 ZINC000760882698 585400520 /nfs/dbraw/zinc/40/05/20/585400520.db2.gz LBJGRXKDMBCMOE-IAQYHMDHSA-N 0 0 247.382 3.647 20 0 BHADRN CO[C@H]1Cc2ccc(N[C@@H](C)C(C)(C)C)cc2C1 ZINC000760882701 585400692 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/nfs/dbraw/zinc/40/09/42/585400942.db2.gz SBCCHZPMPRELGR-HWWQOWPSSA-N 0 0 247.382 3.647 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc2c(c1)C[C@@H](OC)C2 ZINC000760885100 585401170 /nfs/dbraw/zinc/40/11/70/585401170.db2.gz SBCCHZPMPRELGR-MKBNYLNASA-N 0 0 247.382 3.647 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc2c(c1)C[C@H](OC)C2 ZINC000760885102 584908587 /nfs/dbraw/zinc/90/85/87/584908587.db2.gz SBCCHZPMPRELGR-MQIPJXDCSA-N 0 0 247.382 3.647 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)C[C@@H](OC)C2 ZINC000760885114 584908598 /nfs/dbraw/zinc/90/85/98/584908598.db2.gz SBCCHZPMPRELGR-OZVIIMIRSA-N 0 0 247.382 3.647 20 0 BHADRN CC[C@H](Nc1ccc2c(c1)C[C@H](OC)C2)C(C)C ZINC000760887081 585401438 /nfs/dbraw/zinc/40/14/38/585401438.db2.gz XBHOPXKSWVYNEU-CVEARBPZSA-N 0 0 247.382 3.647 20 0 BHADRN CC[C@H](Nc1ccc2c(c1)C[C@@H](OC)C2)C(C)C ZINC000760887083 585401226 /nfs/dbraw/zinc/40/12/26/585401226.db2.gz XBHOPXKSWVYNEU-HOTGVXAUSA-N 0 0 247.382 3.647 20 0 BHADRN CC[C@@H](Nc1ccc2c(c1)C[C@H](OC)C2)C(C)C 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0 0 244.290 3.751 20 0 BHADRN C/C=C(/C)C(=O)OCc1oc2ccccc2c1C ZINC000760994633 585403282 /nfs/dbraw/zinc/40/32/82/585403282.db2.gz PLPUPWOTXFOUGS-WMZJFQQLSA-N 0 0 244.290 3.751 20 0 BHADRN O=C(OC1CCC1)c1cccc(-c2ccoc2)c1 ZINC000761003297 585403420 /nfs/dbraw/zinc/40/34/20/585403420.db2.gz SUDYVUVQDADHGD-UHFFFAOYSA-N 0 0 242.274 3.656 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](CC(C)C)c1ccccn1 ZINC000761004466 585403396 /nfs/dbraw/zinc/40/33/96/585403396.db2.gz AGJJSPYDZSRUAS-CLUXPMKYSA-N 0 0 247.338 3.678 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](CC(C)C)c1ccccn1 ZINC000761004469 585403401 /nfs/dbraw/zinc/40/34/01/585403401.db2.gz AGJJSPYDZSRUAS-IMBBRHANSA-N 0 0 247.338 3.678 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](C)c1cccc(C)c1 ZINC000761007579 585403424 /nfs/dbraw/zinc/40/34/24/585403424.db2.gz RLYYNKISSJZXAK-DKRCXCIFSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)c1cccc(C)c1 ZINC000761007580 585403369 /nfs/dbraw/zinc/40/33/69/585403369.db2.gz RLYYNKISSJZXAK-JXDHDYMSSA-N 0 0 218.296 3.565 20 0 BHADRN CCCC1(C(=O)OC/C=C/c2ccccc2)CC1 ZINC000761014178 585403560 /nfs/dbraw/zinc/40/35/60/585403560.db2.gz VSCFZFSYUCBIHQ-RMKNXTFCSA-N 0 0 244.334 3.823 20 0 BHADRN CCCC1(C(=O)OC/C=C\c2ccccc2)CC1 ZINC000761014180 585403404 /nfs/dbraw/zinc/40/34/04/585403404.db2.gz VSCFZFSYUCBIHQ-TWGQIWQCSA-N 0 0 244.334 3.823 20 0 BHADRN Cc1ccc(C(C)C)cc1OC(=O)C1(C)CC1 ZINC000761019866 585403675 /nfs/dbraw/zinc/40/36/75/585403675.db2.gz DQVKZXKBDXJEDD-UHFFFAOYSA-N 0 0 232.323 3.824 20 0 BHADRN CC[C@@H](C)c1ccc(OC(=O)C2(C)CC2)cc1 ZINC000761021392 585403716 /nfs/dbraw/zinc/40/37/16/585403716.db2.gz OWHSKKXDRBWDLS-LLVKDONJSA-N 0 0 232.323 3.906 20 0 BHADRN CC[C@H](C)c1ccc(OC(=O)C2(C)CC2)cc1 ZINC000761021393 585403638 /nfs/dbraw/zinc/40/36/38/585403638.db2.gz OWHSKKXDRBWDLS-NSHDSACASA-N 0 0 232.323 3.906 20 0 BHADRN CCOc1ccc(SC/C=C\Cl)cc1 ZINC000761071748 585405420 /nfs/dbraw/zinc/40/54/20/585405420.db2.gz LKCSDHATBXBBOW-BAQGIRSFSA-N 0 0 228.744 3.930 20 0 BHADRN CCOc1ccc(SC/C=C/Cl)cc1 ZINC000761071753 585405489 /nfs/dbraw/zinc/40/54/89/585405489.db2.gz LKCSDHATBXBBOW-FPYGCLRLSA-N 0 0 228.744 3.930 20 0 BHADRN CCOc1ccc(SCC(C)C)cc1 ZINC000761073974 585405540 /nfs/dbraw/zinc/40/55/40/585405540.db2.gz ZHVNIAJKNWDBPF-UHFFFAOYSA-N 0 0 210.342 3.833 20 0 BHADRN CCCC1(C(=O)OCc2ccc(C)cc2)CC1 ZINC000761074346 585405664 /nfs/dbraw/zinc/40/56/64/585405664.db2.gz KHRQIQNYKYINFL-UHFFFAOYSA-N 0 0 232.323 3.619 20 0 BHADRN CCCCSc1ccc(OCC)cc1 ZINC000761075234 585406286 /nfs/dbraw/zinc/40/62/86/585406286.db2.gz ZXGNZPUTRTVORJ-UHFFFAOYSA-N 0 0 210.342 3.978 20 0 BHADRN CCC(CC)(CC)C(=O)OCc1ccoc1 ZINC000761076594 585406046 /nfs/dbraw/zinc/40/60/46/585406046.db2.gz ZAHUDWHHJQNMHR-UHFFFAOYSA-N 0 0 224.300 3.539 20 0 BHADRN CCOc1ccc(SCCSC)cc1 ZINC000761077748 585406184 /nfs/dbraw/zinc/40/61/84/585406184.db2.gz IROZRBDPTWLOKT-UHFFFAOYSA-N 0 0 228.382 3.540 20 0 BHADRN CCOc1ccc(SCCOC(C)C)cc1 ZINC000761078697 585406697 /nfs/dbraw/zinc/40/66/97/585406697.db2.gz RGLZAPLDMYSPEB-UHFFFAOYSA-N 0 0 240.368 3.602 20 0 BHADRN CC/C=C\CCOC(=O)c1cccc(C)c1F ZINC000761080967 585406878 /nfs/dbraw/zinc/40/68/78/585406878.db2.gz TWSCWKBQQYOIHM-PLNGDYQASA-N 0 0 236.286 3.647 20 0 BHADRN CC/C=C/CCOC(=O)c1cccc(C)c1F ZINC000761080968 585406432 /nfs/dbraw/zinc/40/64/32/585406432.db2.gz TWSCWKBQQYOIHM-SNAWJCMRSA-N 0 0 236.286 3.647 20 0 BHADRN Clc1cccc(Cl)c1CN1CC[C@@H]2C[C@@H]21 ZINC000761088540 585407821 /nfs/dbraw/zinc/40/78/21/585407821.db2.gz GQMHJKHJIVPUTQ-PELKAZGASA-N 0 0 242.149 3.588 20 0 BHADRN Clc1cccc(Cl)c1CN1CC[C@H]2C[C@H]21 ZINC000761088551 585407604 /nfs/dbraw/zinc/40/76/04/585407604.db2.gz GQMHJKHJIVPUTQ-QPUJVOFHSA-N 0 0 242.149 3.588 20 0 BHADRN CCCC1(C(=O)O[C@H]2CCc3ccccc32)CC1 ZINC000761089409 585408134 /nfs/dbraw/zinc/40/81/34/585408134.db2.gz XLUICJVBEZJVAV-AWEZNQCLSA-N 0 0 244.334 3.797 20 0 BHADRN CCCC1(C(=O)O[C@@H]2CCc3ccccc32)CC1 ZINC000761089412 585408126 /nfs/dbraw/zinc/40/81/26/585408126.db2.gz XLUICJVBEZJVAV-CQSZACIVSA-N 0 0 244.334 3.797 20 0 BHADRN Clc1ccc(CN2CC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000761090236 585407864 /nfs/dbraw/zinc/40/78/64/585407864.db2.gz TVUNJVRMEKCTNF-PELKAZGASA-N 0 0 242.149 3.588 20 0 BHADRN C[C@@H](OC(=O)c1ccc2sccc2c1)C1CC1 ZINC000761090238 585408084 /nfs/dbraw/zinc/40/80/84/585408084.db2.gz MZNWZKCFYAPGQD-SECBINFHSA-N 0 0 246.331 3.857 20 0 BHADRN Clc1ccc(CN2CC[C@H]3C[C@H]32)c(Cl)c1 ZINC000761090240 585407882 /nfs/dbraw/zinc/40/78/82/585407882.db2.gz TVUNJVRMEKCTNF-QPUJVOFHSA-N 0 0 242.149 3.588 20 0 BHADRN C[C@H](OC(=O)c1ccc2sccc2c1)C1CC1 ZINC000761090267 584909523 /nfs/dbraw/zinc/90/95/23/584909523.db2.gz MZNWZKCFYAPGQD-VIFPVBQESA-N 0 0 246.331 3.857 20 0 BHADRN Clc1ccc(Cl)c(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000761090424 585407974 /nfs/dbraw/zinc/40/79/74/585407974.db2.gz KEGOENIRYRVYFN-PELKAZGASA-N 0 0 242.149 3.588 20 0 BHADRN Clc1ccc(Cl)c(CN2CC[C@H]3C[C@H]32)c1 ZINC000761090437 585408112 /nfs/dbraw/zinc/40/81/12/585408112.db2.gz KEGOENIRYRVYFN-QPUJVOFHSA-N 0 0 242.149 3.588 20 0 BHADRN Clc1ccc(CN2CC[C@H]3C[C@H]32)cc1Cl ZINC000761091981 585408342 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/nfs/dbraw/zinc/40/92/64/585409264.db2.gz VAFLIQWQNAPKAO-GFCCVEGCSA-N 0 0 232.323 3.871 20 0 BHADRN CCCC1(C(=O)O[C@@H](C)c2ccccc2)CC1 ZINC000761099276 585409149 /nfs/dbraw/zinc/40/91/49/585409149.db2.gz VAFLIQWQNAPKAO-LBPRGKRZSA-N 0 0 232.323 3.871 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)C1=CCCC1 ZINC000761103648 585409349 /nfs/dbraw/zinc/40/93/49/585409349.db2.gz XVYGHJAFUJPIOJ-LBPRGKRZSA-N 0 0 230.307 3.710 20 0 BHADRN Cc1cc(COC(=O)C2=CCCC2)c(C)s1 ZINC000761107407 585409835 /nfs/dbraw/zinc/40/98/35/585409835.db2.gz GPONDYVYOBTVMT-UHFFFAOYSA-N 0 0 236.336 3.518 20 0 BHADRN O=C(OCc1ccc(Cl)s1)C1=CCCC1 ZINC000761111059 585410371 /nfs/dbraw/zinc/41/03/71/585410371.db2.gz NHEVZQXMTSVOCP-UHFFFAOYSA-N 0 0 242.727 3.555 20 0 BHADRN C/C=C(\C)C(=O)N1CCCC[C@@H]1CCC(C)C ZINC000761152258 585411479 /nfs/dbraw/zinc/41/14/79/585411479.db2.gz RKJRKEWMRWBYTN-BRRGFWCPSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(\C)C(=O)N1CCCC[C@H]1CCC(C)C ZINC000761152259 585411576 /nfs/dbraw/zinc/41/15/76/585411576.db2.gz RKJRKEWMRWBYTN-GUVYXZIWSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(/C)C(=O)N1CCCC[C@@H]1CCC(C)C ZINC000761152260 585411598 /nfs/dbraw/zinc/41/15/98/585411598.db2.gz RKJRKEWMRWBYTN-MECSIWFOSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(/C)C(=O)N1CCCC[C@H]1CCC(C)C ZINC000761152261 585411590 /nfs/dbraw/zinc/41/15/90/585411590.db2.gz RKJRKEWMRWBYTN-UUSOHVMFSA-N 0 0 237.387 3.770 20 0 BHADRN CC[C@H](COC(=O)C1(C)CC1)c1ccccc1 ZINC000761158945 585411540 /nfs/dbraw/zinc/41/15/40/585411540.db2.gz ZXTGKNZHGSBQHM-GFCCVEGCSA-N 0 0 232.323 3.524 20 0 BHADRN CC[C@@H](COC(=O)C1(C)CC1)c1ccccc1 ZINC000761158949 585411473 /nfs/dbraw/zinc/41/14/73/585411473.db2.gz ZXTGKNZHGSBQHM-LBPRGKRZSA-N 0 0 232.323 3.524 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)N2CC3(C2)CCCCC3)C1 ZINC000761173429 585411682 /nfs/dbraw/zinc/41/16/82/585411682.db2.gz HBNXLWVGJZRFKY-JFBXQDQPSA-N 0 0 247.382 3.526 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)N2CC3(C2)CCCCC3)C1 ZINC000761173431 585411739 /nfs/dbraw/zinc/41/17/39/585411739.db2.gz HBNXLWVGJZRFKY-LFGHMXSPSA-N 0 0 247.382 3.526 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)N2CC3(C2)CCCCC3)C1 ZINC000761173432 585411832 /nfs/dbraw/zinc/41/18/32/585411832.db2.gz HBNXLWVGJZRFKY-ODUNQGDFSA-N 0 0 247.382 3.526 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)N2CC3(C2)CCCCC3)C1 ZINC000761173434 585411742 /nfs/dbraw/zinc/41/17/42/585411742.db2.gz HBNXLWVGJZRFKY-PCRWRXJSSA-N 0 0 247.382 3.526 20 0 BHADRN CCCC1(C(=O)OCCSC(C)(C)C)CC1 ZINC000761179343 585412042 /nfs/dbraw/zinc/41/20/42/585412042.db2.gz MBAHTFMWOVKVNP-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCC(CC)(CC)C(=O)OCc1ccoc1C ZINC000761181503 585411911 /nfs/dbraw/zinc/41/19/11/585411911.db2.gz UPVOUAXKAODOEB-UHFFFAOYSA-N 0 0 238.327 3.848 20 0 BHADRN CCC/C(C)=C/C(=O)N1CC2(C1)CCCCC2 ZINC000761181655 585412000 /nfs/dbraw/zinc/41/20/00/585412000.db2.gz FBYKQFQGEZRFPE-JLHYYAGUSA-N 0 0 235.371 3.526 20 0 BHADRN CCC/C(C)=C\C(=O)N1CC2(C1)CCCCC2 ZINC000761181663 585411984 /nfs/dbraw/zinc/41/19/84/585411984.db2.gz FBYKQFQGEZRFPE-RAXLEYEMSA-N 0 0 235.371 3.526 20 0 BHADRN O=C(C=C1CCCCC1)N1CC2(C1)CCCCC2 ZINC000761181980 585411901 /nfs/dbraw/zinc/41/19/01/585411901.db2.gz GWMHQASCWUOUPB-UHFFFAOYSA-N 0 0 247.382 3.670 20 0 BHADRN CCC(=CC(=O)N1CC2(C1)CCCCC2)CC ZINC000761182118 585411865 /nfs/dbraw/zinc/41/18/65/585411865.db2.gz IBOBYPHLULXZOE-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN C/C(=C\C(=O)N1CC2(C1)CCCCC2)C(C)(C)C ZINC000761184947 585411909 /nfs/dbraw/zinc/41/19/09/585411909.db2.gz RDUDZLKZDSWZRP-JLHYYAGUSA-N 0 0 249.398 3.772 20 0 BHADRN C/C(=C/C(=O)N1CC2(C1)CCCCC2)C(C)(C)C ZINC000761184950 585411870 /nfs/dbraw/zinc/41/18/70/585411870.db2.gz RDUDZLKZDSWZRP-RAXLEYEMSA-N 0 0 249.398 3.772 20 0 BHADRN CCC(CC)(CC)C(=O)O[C@H](C)c1cccnc1 ZINC000761187089 585412011 /nfs/dbraw/zinc/41/20/11/585412011.db2.gz ZOQJJCFGDCSMRK-GFCCVEGCSA-N 0 0 249.354 3.902 20 0 BHADRN CCC(CC)(CC)C(=O)O[C@@H](C)c1cccnc1 ZINC000761187090 585411996 /nfs/dbraw/zinc/41/19/96/585411996.db2.gz ZOQJJCFGDCSMRK-LBPRGKRZSA-N 0 0 249.354 3.902 20 0 BHADRN CCC[C@@H](C)N(C)c1ncnc2sc(C)cc21 ZINC000761196427 585412077 /nfs/dbraw/zinc/41/20/77/585412077.db2.gz HFIVJAXXFWSEGR-SECBINFHSA-N 0 0 249.383 3.625 20 0 BHADRN CCC[C@H](C)N(C)c1ncnc2sc(C)cc21 ZINC000761196428 585412107 /nfs/dbraw/zinc/41/21/07/585412107.db2.gz HFIVJAXXFWSEGR-VIFPVBQESA-N 0 0 249.383 3.625 20 0 BHADRN Cc1cc2c(ncnc2NCC2CCCC2)s1 ZINC000761196914 585412168 /nfs/dbraw/zinc/41/21/68/585412168.db2.gz OFVOFHGUZDDISG-UHFFFAOYSA-N 0 0 247.367 3.602 20 0 BHADRN Cc1cc2c(ncnc2NC2(C)CCCC2)s1 ZINC000761210349 585412097 /nfs/dbraw/zinc/41/20/97/585412097.db2.gz SHNCGDKWVSNEBC-UHFFFAOYSA-N 0 0 247.367 3.744 20 0 BHADRN Cc1ccc(N(C)C[C@H]2CCO[C@H](C)C2)c(C)c1 ZINC000761213592 585412481 /nfs/dbraw/zinc/41/24/81/585412481.db2.gz AVVICSKYWTUTQM-CABCVRRESA-N 0 0 247.382 3.555 20 0 BHADRN Cc1ccc(N(C)C[C@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000761213595 585412531 /nfs/dbraw/zinc/41/25/31/585412531.db2.gz AVVICSKYWTUTQM-GJZGRUSLSA-N 0 0 247.382 3.555 20 0 BHADRN Cc1ccc(N(C)C[C@@H]2CCO[C@H](C)C2)c(C)c1 ZINC000761213787 585412528 /nfs/dbraw/zinc/41/25/28/585412528.db2.gz AVVICSKYWTUTQM-HUUCEWRRSA-N 0 0 247.382 3.555 20 0 BHADRN Cc1ccc(N(C)C[C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000761213789 585412323 /nfs/dbraw/zinc/41/23/23/585412323.db2.gz AVVICSKYWTUTQM-LSDHHAIUSA-N 0 0 247.382 3.555 20 0 BHADRN Cc1ccc(N(C)Cc2cccnc2C)c(C)c1 ZINC000761215568 585412337 /nfs/dbraw/zinc/41/23/37/585412337.db2.gz KBYDCHYWRBDRPW-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1ccc(N(C)Cc2ccoc2)c(C)c1 ZINC000761216801 585412446 /nfs/dbraw/zinc/41/24/46/585412446.db2.gz RRHACJGCLZPDSG-UHFFFAOYSA-N 0 0 215.296 3.533 20 0 BHADRN CSc1cccc(N(C)Cc2ccoc2)c1 ZINC000761222228 585412462 /nfs/dbraw/zinc/41/24/62/585412462.db2.gz RMJZMAXEIJRKPX-UHFFFAOYSA-N 0 0 233.336 3.638 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)Oc1ccccc1 ZINC000761223597 585412460 /nfs/dbraw/zinc/41/24/60/585412460.db2.gz JZFZJBKXBWSIMW-LLVKDONJSA-N 0 0 220.312 3.664 20 0 BHADRN CCC(CC)[C@H](C)C(=O)Oc1ccccc1 ZINC000761223601 585412445 /nfs/dbraw/zinc/41/24/45/585412445.db2.gz JZFZJBKXBWSIMW-NSHDSACASA-N 0 0 220.312 3.664 20 0 BHADRN CCC(CC)[C@H](C)C(=O)Oc1ccccc1F ZINC000761223688 585412393 /nfs/dbraw/zinc/41/23/93/585412393.db2.gz NDWFXEPAKPPGGZ-JTQLQIEISA-N 0 0 238.302 3.803 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)Oc1ccccc1F ZINC000761223689 585412340 /nfs/dbraw/zinc/41/23/40/585412340.db2.gz NDWFXEPAKPPGGZ-SNVBAGLBSA-N 0 0 238.302 3.803 20 0 BHADRN CSc1ccc(N(C)Cc2ccoc2)cc1 ZINC000761223815 585412465 /nfs/dbraw/zinc/41/24/65/585412465.db2.gz RLBITBTVELUTAF-UHFFFAOYSA-N 0 0 233.336 3.638 20 0 BHADRN Cc1cc2c(ncnc2NCCCC2CC2)s1 ZINC000761229340 585412679 /nfs/dbraw/zinc/41/26/79/585412679.db2.gz KSIIMRGFSWBHOG-UHFFFAOYSA-N 0 0 247.367 3.602 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)N1CCCCCCC1 ZINC000761229686 585412761 /nfs/dbraw/zinc/41/27/61/585412761.db2.gz OQFVVDKKBMXJET-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCC(CC)[C@H](C)C(=O)N1CCCCCCC1 ZINC000761229687 585412682 /nfs/dbraw/zinc/41/26/82/585412682.db2.gz OQFVVDKKBMXJET-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CCC(CC)(CC)C(=O)OC[C@H]1CCCS1 ZINC000761232725 585412686 /nfs/dbraw/zinc/41/26/86/585412686.db2.gz BVIMISLUCNBYBD-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CCC(CC)(CC)C(=O)OC[C@@H]1CCCS1 ZINC000761232726 585412788 /nfs/dbraw/zinc/41/27/88/585412788.db2.gz BVIMISLUCNBYBD-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CCCC1(C(=O)OCCC(C)(C)C)CC1 ZINC000761232918 585412757 /nfs/dbraw/zinc/41/27/57/585412757.db2.gz CEIIPPHPNOTXFO-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCCCNC(=O)[C@H](C)C(CC)CC ZINC000761233821 585412710 /nfs/dbraw/zinc/41/27/10/585412710.db2.gz CDAZILPXSXPYKN-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCCNC(=O)[C@@H](C)C(CC)CC ZINC000761233822 585412835 /nfs/dbraw/zinc/41/28/35/585412835.db2.gz CDAZILPXSXPYKN-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN O=C(OC1CCC1)c1ccc2sccc2c1 ZINC000761235359 585412802 /nfs/dbraw/zinc/41/28/02/585412802.db2.gz PJPIYZCZWDSAIP-UHFFFAOYSA-N 0 0 232.304 3.611 20 0 BHADRN CCCC1(C(=O)OCC(C)(C)CC)CC1 ZINC000761237466 585412654 /nfs/dbraw/zinc/41/26/54/585412654.db2.gz VNBUWPKZTOWKCN-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN Cc1ccc(N(C[C@@H]2CCCOC2)C(C)C)cc1 ZINC000761249054 585412345 /nfs/dbraw/zinc/41/23/45/585412345.db2.gz FGJJUULYHWRIOP-HNNXBMFYSA-N 0 0 247.382 3.636 20 0 BHADRN Cc1ccc(N(C[C@H]2CCCOC2)C(C)C)cc1 ZINC000761249056 585412334 /nfs/dbraw/zinc/41/23/34/585412334.db2.gz FGJJUULYHWRIOP-OAHLLOKOSA-N 0 0 247.382 3.636 20 0 BHADRN CCN(C[C@@H]1CCCOC1)c1ccc(C)cc1C ZINC000761262632 585413029 /nfs/dbraw/zinc/41/30/29/585413029.db2.gz YSZJXRZTQYRBQK-HNNXBMFYSA-N 0 0 247.382 3.556 20 0 BHADRN CCN(C[C@H]1CCCOC1)c1ccc(C)cc1C ZINC000761262635 585412894 /nfs/dbraw/zinc/41/28/94/585412894.db2.gz YSZJXRZTQYRBQK-OAHLLOKOSA-N 0 0 247.382 3.556 20 0 BHADRN Cc1cccnc1C(=O)OCC1(C)CCCCC1 ZINC000761294952 585413133 /nfs/dbraw/zinc/41/31/33/585413133.db2.gz JMXFFFVHJIUMGY-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN CC1(COC(=O)C2CC(F)(F)C2)CCCCC1 ZINC000761296381 585413248 /nfs/dbraw/zinc/41/32/48/585413248.db2.gz XMASTZQPOMBAOJ-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN CSCCCC(=O)OCC1(C)CCCCC1 ZINC000761303028 585413527 /nfs/dbraw/zinc/41/35/27/585413527.db2.gz TXOKWWBSZKFYSK-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN Cc1cccc(C(=O)OCC2(C)CCCCC2)n1 ZINC000761304453 585413520 /nfs/dbraw/zinc/41/35/20/585413520.db2.gz PFOATBWRFGSURE-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN CC(F)(F)CCC(=O)OCC1(C)CCCCC1 ZINC000761304693 585413330 /nfs/dbraw/zinc/41/33/30/585413330.db2.gz QDNJOWULCYWZEI-UHFFFAOYSA-N 0 0 248.313 3.935 20 0 BHADRN C/C=C\CSc1ncnc2sc(C)cc21 ZINC000761325988 585413838 /nfs/dbraw/zinc/41/38/38/585413838.db2.gz JRSJGIGYEAMENI-ARJAWSKDSA-N 0 0 236.365 3.668 20 0 BHADRN CC(C)c1noc(/C=C/c2ccccc2F)n1 ZINC000761341369 585414137 /nfs/dbraw/zinc/41/41/37/585414137.db2.gz KNLMWOMUGQRFMH-BQYQJAHWSA-N 0 0 232.258 3.503 20 0 BHADRN CC(C)c1noc(/C=C\c2ccccc2F)n1 ZINC000761341941 585414018 /nfs/dbraw/zinc/41/40/18/585414018.db2.gz KNLMWOMUGQRFMH-FPLPWBNLSA-N 0 0 232.258 3.503 20 0 BHADRN CCC/C=C\C(=O)OCc1cccc(C(C)C)n1 ZINC000761382429 585414869 /nfs/dbraw/zinc/41/48/69/585414869.db2.gz VBVYDWVARCMZDH-POHAHGRESA-N 0 0 247.338 3.605 20 0 BHADRN CCC/C=C/C(=O)OCc1cccc(C(C)C)n1 ZINC000761382430 585414928 /nfs/dbraw/zinc/41/49/28/585414928.db2.gz VBVYDWVARCMZDH-UXBLZVDNSA-N 0 0 247.338 3.605 20 0 BHADRN Cc1cccc(-c2noc(C[C@@H](C)C3CC3)n2)c1 ZINC000761399366 585415127 /nfs/dbraw/zinc/41/51/27/585415127.db2.gz UAOZOQVBHGXQRW-LLVKDONJSA-N 0 0 242.322 3.634 20 0 BHADRN Cc1cccc(-c2noc(C[C@H](C)C3CC3)n2)c1 ZINC000761399371 585415074 /nfs/dbraw/zinc/41/50/74/585415074.db2.gz UAOZOQVBHGXQRW-NSHDSACASA-N 0 0 242.322 3.634 20 0 BHADRN CCCCOCC[S@](=O)C(CC)(CC)CC ZINC000761427380 585415485 /nfs/dbraw/zinc/41/54/85/585415485.db2.gz OKEGWCNNRGPPJA-INIZCTEOSA-N 0 0 248.432 3.521 20 0 BHADRN CCCCOCC[S@@](=O)C(CC)(CC)CC ZINC000761427381 585415362 /nfs/dbraw/zinc/41/53/62/585415362.db2.gz OKEGWCNNRGPPJA-MRXNPFEDSA-N 0 0 248.432 3.521 20 0 BHADRN CC1(C(=O)OCc2cccc3ccccc32)CC1 ZINC000761434665 585415575 /nfs/dbraw/zinc/41/55/75/585415575.db2.gz LJTLQEBUMKZDHT-UHFFFAOYSA-N 0 0 240.302 3.683 20 0 BHADRN CC1(C(=O)OCc2ccc3ccccc3c2)CC1 ZINC000761443610 585415867 /nfs/dbraw/zinc/41/58/67/585415867.db2.gz PITRCNHBAAFHQK-UHFFFAOYSA-N 0 0 240.302 3.683 20 0 BHADRN CC1(C(=O)OCc2csc3ccccc23)CC1 ZINC000761446658 585415823 /nfs/dbraw/zinc/41/58/23/585415823.db2.gz MRSSICRWKIMNOM-UHFFFAOYSA-N 0 0 246.331 3.745 20 0 BHADRN CCCC1(C(=O)OCc2cccc(C)c2)CC1 ZINC000761454032 585416128 /nfs/dbraw/zinc/41/61/28/585416128.db2.gz LRWZUUOVELPPJM-UHFFFAOYSA-N 0 0 232.323 3.619 20 0 BHADRN CCCC1(C(=O)OCc2ccccc2C)CC1 ZINC000761461376 585415962 /nfs/dbraw/zinc/41/59/62/585415962.db2.gz MVLXILQJYIOKIH-UHFFFAOYSA-N 0 0 232.323 3.619 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OC1CCCC1 ZINC000761467047 585416257 /nfs/dbraw/zinc/41/62/57/585416257.db2.gz ODTODKAHISHCHV-JTQLQIEISA-N 0 0 212.333 3.545 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OC1CCCC1 ZINC000761467049 585416234 /nfs/dbraw/zinc/41/62/34/585416234.db2.gz ODTODKAHISHCHV-SNVBAGLBSA-N 0 0 212.333 3.545 20 0 BHADRN CCC(CC)(CC)C(=O)OCCOC(C)(C)C ZINC000761474862 585416194 /nfs/dbraw/zinc/41/61/94/585416194.db2.gz OQJYNDSSAHKMMZ-UHFFFAOYSA-N 0 0 244.375 3.561 20 0 BHADRN CCC(CC)(CC)C(=O)OCc1cccc(C)n1 ZINC000761478477 585416254 /nfs/dbraw/zinc/41/62/54/585416254.db2.gz DXGWQWXPBHJYBA-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN CCC(CC)(CC)C(=O)OCCCOC(C)C ZINC000761480077 585416285 /nfs/dbraw/zinc/41/62/85/585416285.db2.gz GUAMVDRIEDNVTN-UHFFFAOYSA-N 0 0 244.375 3.561 20 0 BHADRN CCC(CC)(CC)C(=O)OCCC(F)(F)F ZINC000761481546 585416483 /nfs/dbraw/zinc/41/64/83/585416483.db2.gz WNTJWXLFEBXWOU-UHFFFAOYSA-N 0 0 240.265 3.698 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)O[C@@H](C)c1ccncc1 ZINC000761489187 585416373 /nfs/dbraw/zinc/41/63/73/585416373.db2.gz IKDRBIRFPSMWRJ-NEPJUHHUSA-N 0 0 249.354 3.758 20 0 BHADRN CCC(CC)[C@H](C)C(=O)O[C@H](C)c1ccncc1 ZINC000761489189 585416486 /nfs/dbraw/zinc/41/64/86/585416486.db2.gz IKDRBIRFPSMWRJ-NWDGAFQWSA-N 0 0 249.354 3.758 20 0 BHADRN CCC(CC)[C@H](C)C(=O)O[C@@H](C)c1ccncc1 ZINC000761489190 585416415 /nfs/dbraw/zinc/41/64/15/585416415.db2.gz IKDRBIRFPSMWRJ-RYUDHWBXSA-N 0 0 249.354 3.758 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)O[C@H](C)c1ccncc1 ZINC000761489192 585416386 /nfs/dbraw/zinc/41/63/86/585416386.db2.gz IKDRBIRFPSMWRJ-VXGBXAGGSA-N 0 0 249.354 3.758 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCc1cccc(C)n1 ZINC000761490930 585416475 /nfs/dbraw/zinc/41/64/75/585416475.db2.gz NMWZLNWVAGYBLP-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCc1cccc(C)n1 ZINC000761490932 585416472 /nfs/dbraw/zinc/41/64/72/585416472.db2.gz NMWZLNWVAGYBLP-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCCC(F)(F)F ZINC000761491337 585416371 /nfs/dbraw/zinc/41/63/71/585416371.db2.gz GVWCAQDNWSYCQD-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCCC(F)(F)F ZINC000761491338 585416419 /nfs/dbraw/zinc/41/64/19/585416419.db2.gz GVWCAQDNWSYCQD-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)O[C@@H](C)c1cccnc1 ZINC000761496409 585416564 /nfs/dbraw/zinc/41/65/64/585416564.db2.gz MRGBTRCSVRSVDE-NEPJUHHUSA-N 0 0 249.354 3.758 20 0 BHADRN CCC(CC)[C@H](C)C(=O)O[C@H](C)c1cccnc1 ZINC000761496410 585416541 /nfs/dbraw/zinc/41/65/41/585416541.db2.gz MRGBTRCSVRSVDE-NWDGAFQWSA-N 0 0 249.354 3.758 20 0 BHADRN CCC(CC)[C@H](C)C(=O)O[C@@H](C)c1cccnc1 ZINC000761496411 585416381 /nfs/dbraw/zinc/41/63/81/585416381.db2.gz MRGBTRCSVRSVDE-RYUDHWBXSA-N 0 0 249.354 3.758 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)O[C@H](C)c1cccnc1 ZINC000761496412 585416660 /nfs/dbraw/zinc/41/66/60/585416660.db2.gz MRGBTRCSVRSVDE-VXGBXAGGSA-N 0 0 249.354 3.758 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCc1ccc(C)cn1 ZINC000761496977 585416756 /nfs/dbraw/zinc/41/67/56/585416756.db2.gz ODHSEEQKSSYBHI-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCc1ccc(C)cn1 ZINC000761496979 585416743 /nfs/dbraw/zinc/41/67/43/585416743.db2.gz ODHSEEQKSSYBHI-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCc1cnccc1C ZINC000761498903 711862060 /nfs/dbraw/zinc/86/20/60/711862060.db2.gz UHOLVVLVZMMXPR-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCc1cnccc1C ZINC000761498905 711861820 /nfs/dbraw/zinc/86/18/20/711861820.db2.gz UHOLVVLVZMMXPR-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN CCCCCOC(=O)c1ccc(C(=O)CC)cc1 ZINC000761502167 585416571 /nfs/dbraw/zinc/41/65/71/585416571.db2.gz GPSUUNLRDHOCJO-UHFFFAOYSA-N 0 0 248.322 3.626 20 0 BHADRN CCC[C@@H](C)OC(=O)c1ccc(C(=O)CC)cc1 ZINC000761517870 585416718 /nfs/dbraw/zinc/41/67/18/585416718.db2.gz RXFHBFXGBVBPGJ-LLVKDONJSA-N 0 0 248.322 3.625 20 0 BHADRN CCC[C@H](C)OC(=O)c1ccc(C(=O)CC)cc1 ZINC000761517872 585416763 /nfs/dbraw/zinc/41/67/63/585416763.db2.gz RXFHBFXGBVBPGJ-NSHDSACASA-N 0 0 248.322 3.625 20 0 BHADRN CC[C@H](OC(=O)C1=CCCC1)c1ccccc1 ZINC000761543979 585417131 /nfs/dbraw/zinc/41/71/31/585417131.db2.gz CIBRWFPRQRMQQB-AWEZNQCLSA-N 0 0 230.307 3.791 20 0 BHADRN CC[C@@H](OC(=O)C1=CCCC1)c1ccccc1 ZINC000761543980 585417097 /nfs/dbraw/zinc/41/70/97/585417097.db2.gz CIBRWFPRQRMQQB-CQSZACIVSA-N 0 0 230.307 3.791 20 0 BHADRN CSc1ccc(COC(=O)C2=CCCC2)cc1 ZINC000761560724 585416933 /nfs/dbraw/zinc/41/69/33/585416933.db2.gz YJGKEQPXIKZGHT-UHFFFAOYSA-N 0 0 248.347 3.562 20 0 BHADRN CCc1ccccc1-c1noc([C@@H]2CC2(C)C)n1 ZINC000761561523 585417321 /nfs/dbraw/zinc/41/73/21/585417321.db2.gz AVCFXAMCIXIPKM-LBPRGKRZSA-N 0 0 242.322 3.813 20 0 BHADRN CCc1ccccc1-c1noc(/C=C/SC)n1 ZINC000761561613 585416913 /nfs/dbraw/zinc/41/69/13/585416913.db2.gz CTUUNSAPSUPEDG-CMDGGOBGSA-N 0 0 246.335 3.633 20 0 BHADRN CCc1ccccc1-c1noc(/C=C\SC)n1 ZINC000761561614 585416872 /nfs/dbraw/zinc/41/68/72/585416872.db2.gz CTUUNSAPSUPEDG-HJWRWDBZSA-N 0 0 246.335 3.633 20 0 BHADRN CCCCCCc1nc(-c2ncccc2C)no1 ZINC000761576327 585417489 /nfs/dbraw/zinc/41/74/89/585417489.db2.gz MDQUKYDLPMUMPC-UHFFFAOYSA-N 0 0 245.326 3.563 20 0 BHADRN CCCCCCc1nc(-c2cncc(C)c2)no1 ZINC000761576462 585417477 /nfs/dbraw/zinc/41/74/77/585417477.db2.gz NOIOUVFNBOXZRA-UHFFFAOYSA-N 0 0 245.326 3.563 20 0 BHADRN CCCCCCc1nc(-c2cc(C)ccn2)no1 ZINC000761598078 585417668 /nfs/dbraw/zinc/41/76/68/585417668.db2.gz QOXOCIKWUBNLST-UHFFFAOYSA-N 0 0 245.326 3.563 20 0 BHADRN CCCCCCc1nc(-c2ccc(C)nc2)no1 ZINC000761632186 585417537 /nfs/dbraw/zinc/41/75/37/585417537.db2.gz CSDLWZWBQWFYPJ-UHFFFAOYSA-N 0 0 245.326 3.563 20 0 BHADRN c1cc(CCCc2nc(C3CCC3)no2)cs1 ZINC000761644943 585417859 /nfs/dbraw/zinc/41/78/59/585417859.db2.gz VVWPYRJUMLEXSQ-UHFFFAOYSA-N 0 0 248.351 3.574 20 0 BHADRN c1c2c(sc1-c1nc(C3CCC3)no1)CCC2 ZINC000761645017 585417749 /nfs/dbraw/zinc/41/77/49/585417749.db2.gz WWHWFTJUUPHWRK-UHFFFAOYSA-N 0 0 246.335 3.554 20 0 BHADRN Fc1ccccc1/C=C/c1nc(C2CCC2)no1 ZINC000761649306 585417815 /nfs/dbraw/zinc/41/78/15/585417815.db2.gz MARGIFMMGYIFOM-CMDGGOBGSA-N 0 0 244.269 3.647 20 0 BHADRN Fc1ccccc1/C=C\c1nc(C2CCC2)no1 ZINC000761649307 585417944 /nfs/dbraw/zinc/41/79/44/585417944.db2.gz MARGIFMMGYIFOM-HJWRWDBZSA-N 0 0 244.269 3.647 20 0 BHADRN CCc1ccc(-c2nc(C3CCC3)no2)s1 ZINC000761651064 585417881 /nfs/dbraw/zinc/41/78/81/585417881.db2.gz TVPDUNRIUKTRFJ-UHFFFAOYSA-N 0 0 234.324 3.628 20 0 BHADRN C[C@@H](c1ccccc1)N(C)OCc1ccccc1 ZINC000761704123 585418177 /nfs/dbraw/zinc/41/81/77/585418177.db2.gz ZWPHAQWXYOWLAC-AWEZNQCLSA-N 0 0 241.334 3.811 20 0 BHADRN C[C@H](c1ccccc1)N(C)OCc1ccccc1 ZINC000761704124 585418031 /nfs/dbraw/zinc/41/80/31/585418031.db2.gz ZWPHAQWXYOWLAC-CQSZACIVSA-N 0 0 241.334 3.811 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)O[C@H](C)C(F)(F)F ZINC000761748071 585418320 /nfs/dbraw/zinc/41/83/20/585418320.db2.gz DPRHXFZMVLHYDX-HTQZYQBOSA-N 0 0 240.265 3.553 20 0 BHADRN CCC(CC)[C@H](C)C(=O)O[C@H](C)C(F)(F)F ZINC000761748072 585418278 /nfs/dbraw/zinc/41/82/78/585418278.db2.gz DPRHXFZMVLHYDX-JGVFFNPUSA-N 0 0 240.265 3.553 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)O[C@@H](C)C(F)(F)F ZINC000761748073 585418403 /nfs/dbraw/zinc/41/84/03/585418403.db2.gz DPRHXFZMVLHYDX-SFYZADRCSA-N 0 0 240.265 3.553 20 0 BHADRN CCC(CC)[C@H](C)C(=O)O[C@@H](C)C(F)(F)F ZINC000761748074 585418439 /nfs/dbraw/zinc/41/84/39/585418439.db2.gz DPRHXFZMVLHYDX-YUMQZZPRSA-N 0 0 240.265 3.553 20 0 BHADRN CCCCCCc1nc(-c2cccc(C)n2)no1 ZINC000761777031 644649887 /nfs/dbraw/zinc/64/98/87/644649887.db2.gz VZVMRDFYVFEBNK-UHFFFAOYSA-N 0 0 245.326 3.563 20 0 BHADRN CS/C=C\c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000761790007 585418682 /nfs/dbraw/zinc/41/86/82/585418682.db2.gz CFIDBITZQRBOEL-ITMFEAPISA-N 0 0 238.356 3.697 20 0 BHADRN CS/C=C/c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000761790009 585418764 /nfs/dbraw/zinc/41/87/64/585418764.db2.gz CFIDBITZQRBOEL-LOSXEJPUSA-N 0 0 238.356 3.697 20 0 BHADRN CS/C=C\c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000761790010 585418658 /nfs/dbraw/zinc/41/86/58/585418658.db2.gz CFIDBITZQRBOEL-SMWNKPDJSA-N 0 0 238.356 3.697 20 0 BHADRN CS/C=C/c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000761790012 585418697 /nfs/dbraw/zinc/41/86/97/585418697.db2.gz CFIDBITZQRBOEL-UHHSMLKOSA-N 0 0 238.356 3.697 20 0 BHADRN CS/C=C/c1nc(C2CCC(C)CC2)no1 ZINC000761790593 585418528 /nfs/dbraw/zinc/41/85/28/585418528.db2.gz FFFPHHWGHXVUCD-BQYQJAHWSA-N 0 0 238.356 3.697 20 0 BHADRN CS/C=C\c1nc(C2CCC(C)CC2)no1 ZINC000761790594 585418703 /nfs/dbraw/zinc/41/87/03/585418703.db2.gz FFFPHHWGHXVUCD-FPLPWBNLSA-N 0 0 238.356 3.697 20 0 BHADRN COCCc1csc(-c2ccc(C)cc2C)n1 ZINC000761792378 585418628 /nfs/dbraw/zinc/41/86/28/585418628.db2.gz JUKZXCDMRITVAG-UHFFFAOYSA-N 0 0 247.363 3.616 20 0 BHADRN CCc1ccc(-c2nc(CCOC)cs2)cc1 ZINC000761792713 585418487 /nfs/dbraw/zinc/41/84/87/585418487.db2.gz MSMYKGCQUMKWOX-UHFFFAOYSA-N 0 0 247.363 3.561 20 0 BHADRN CS/C=C/c1nc(CC2CCCCC2)no1 ZINC000761818665 585419342 /nfs/dbraw/zinc/41/93/42/585419342.db2.gz GKRBELVCABXFGG-BQYQJAHWSA-N 0 0 238.356 3.526 20 0 BHADRN CS/C=C\c1nc(CC2CCCCC2)no1 ZINC000761818676 585419371 /nfs/dbraw/zinc/41/93/71/585419371.db2.gz GKRBELVCABXFGG-FPLPWBNLSA-N 0 0 238.356 3.526 20 0 BHADRN CC/C=C(/C)C(=O)Oc1ccc(CC)cc1OC ZINC000761829350 585419565 /nfs/dbraw/zinc/41/95/65/585419565.db2.gz CTNWMATUDJQOMT-XFFZJAGNSA-N 0 0 248.322 3.519 20 0 BHADRN CC/C=C(\C)C(=O)Oc1ccc(CC)cc1OC ZINC000761829351 585419473 /nfs/dbraw/zinc/41/94/73/585419473.db2.gz CTNWMATUDJQOMT-YRNVUSSQSA-N 0 0 248.322 3.519 20 0 BHADRN CCC[C@@H](C)c1noc([C@H](C)CCC)n1 ZINC000761831147 585419524 /nfs/dbraw/zinc/41/95/24/585419524.db2.gz AGQDMHDKFGDMBD-NXEZZACHSA-N 0 0 210.321 3.877 20 0 BHADRN CCC[C@H](C)c1noc([C@@H](C)CCC)n1 ZINC000761831149 585419545 /nfs/dbraw/zinc/41/95/45/585419545.db2.gz AGQDMHDKFGDMBD-UWVGGRQHSA-N 0 0 210.321 3.877 20 0 BHADRN CCC[C@@H](C)c1nc([C@@H](C)CCC)no1 ZINC000761831151 585419537 /nfs/dbraw/zinc/41/95/37/585419537.db2.gz AGQDMHDKFGDMBD-VHSXEESVSA-N 0 0 210.321 3.877 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H](C)CCC)n1 ZINC000761831154 585419417 /nfs/dbraw/zinc/41/94/17/585419417.db2.gz AGQDMHDKFGDMBD-ZJUUUORDSA-N 0 0 210.321 3.877 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccc(F)cc2)n1 ZINC000761832773 585419718 /nfs/dbraw/zinc/41/97/18/585419718.db2.gz GNZBMEOIHDSFAB-SECBINFHSA-N 0 0 234.274 3.779 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccc(F)cc2)n1 ZINC000761832775 585419712 /nfs/dbraw/zinc/41/97/12/585419712.db2.gz GNZBMEOIHDSFAB-VIFPVBQESA-N 0 0 234.274 3.779 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cccc(C)c2)n1 ZINC000761832857 585419638 /nfs/dbraw/zinc/41/96/38/585419638.db2.gz GYRUOJAXGLIYSH-LLVKDONJSA-N 0 0 230.311 3.949 20 0 BHADRN CCC[C@H](C)c1noc(-c2cccc(C)c2)n1 ZINC000761832858 585419681 /nfs/dbraw/zinc/41/96/81/585419681.db2.gz GYRUOJAXGLIYSH-NSHDSACASA-N 0 0 230.311 3.949 20 0 BHADRN CCC[C@H](C)c1noc(-c2cccc(OC)c2)n1 ZINC000761833162 585419764 /nfs/dbraw/zinc/41/97/64/585419764.db2.gz ISDQYORHLLFOHQ-JTQLQIEISA-N 0 0 246.310 3.649 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cccc(OC)c2)n1 ZINC000761833163 585419634 /nfs/dbraw/zinc/41/96/34/585419634.db2.gz ISDQYORHLLFOHQ-SNVBAGLBSA-N 0 0 246.310 3.649 20 0 BHADRN CCC[C@H](C)c1noc(C2(CCC)CC2)n1 ZINC000761833513 585419828 /nfs/dbraw/zinc/41/98/28/585419828.db2.gz KUEZREDLIFDVAG-JTQLQIEISA-N 0 0 222.332 3.805 20 0 BHADRN CCC[C@@H](C)c1noc(C2(CCC)CC2)n1 ZINC000761833515 585419643 /nfs/dbraw/zinc/41/96/43/585419643.db2.gz KUEZREDLIFDVAG-SNVBAGLBSA-N 0 0 222.332 3.805 20 0 BHADRN CCC[C@H](C)c1noc(-c2cccc(C)c2O)n1 ZINC000761833559 585419815 /nfs/dbraw/zinc/41/98/15/585419815.db2.gz LNMAHZVHGUPDPG-JTQLQIEISA-N 0 0 246.310 3.654 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cccc(C)c2O)n1 ZINC000761833560 585419648 /nfs/dbraw/zinc/41/96/48/585419648.db2.gz LNMAHZVHGUPDPG-SNVBAGLBSA-N 0 0 246.310 3.654 20 0 BHADRN CCC[C@@H](C)c1noc(Cc2ccccc2C)n1 ZINC000761833566 585419833 /nfs/dbraw/zinc/41/98/33/585419833.db2.gz LTPMFOXARLNLLK-GFCCVEGCSA-N 0 0 244.338 3.872 20 0 BHADRN CCC[C@H](C)c1noc(Cc2ccccc2C)n1 ZINC000761833567 585419832 /nfs/dbraw/zinc/41/98/32/585419832.db2.gz LTPMFOXARLNLLK-LBPRGKRZSA-N 0 0 244.338 3.872 20 0 BHADRN CCC[C@@H](C)c1noc(C2CCCC2)n1 ZINC000761835802 585419751 /nfs/dbraw/zinc/41/97/51/585419751.db2.gz SJNGPVRGQXTLMT-SECBINFHSA-N 0 0 208.305 3.631 20 0 BHADRN CCC[C@H](C)c1noc(C2CCCC2)n1 ZINC000761835803 585419701 /nfs/dbraw/zinc/41/97/01/585419701.db2.gz SJNGPVRGQXTLMT-VIFPVBQESA-N 0 0 208.305 3.631 20 0 BHADRN CCC[C@@H](C)c1noc(CC[C@@H](C)SC)n1 ZINC000761836596 585419732 /nfs/dbraw/zinc/41/97/32/585419732.db2.gz UPJAFHKLYVTITI-NXEZZACHSA-N 0 0 242.388 3.657 20 0 BHADRN CCC[C@H](C)c1noc(CC[C@H](C)SC)n1 ZINC000761836597 585419741 /nfs/dbraw/zinc/41/97/41/585419741.db2.gz UPJAFHKLYVTITI-UWVGGRQHSA-N 0 0 242.388 3.657 20 0 BHADRN CCC[C@H](C)c1noc(CC[C@@H](C)SC)n1 ZINC000761836598 585419754 /nfs/dbraw/zinc/41/97/54/585419754.db2.gz UPJAFHKLYVTITI-VHSXEESVSA-N 0 0 242.388 3.657 20 0 BHADRN CCC[C@@H](C)c1noc(CC[C@H](C)SC)n1 ZINC000761836599 585419744 /nfs/dbraw/zinc/41/97/44/585419744.db2.gz UPJAFHKLYVTITI-ZJUUUORDSA-N 0 0 242.388 3.657 20 0 BHADRN CCC[C@@H](C)c1noc(C2=CCCC2)n1 ZINC000761837435 585419656 /nfs/dbraw/zinc/41/96/56/585419656.db2.gz VQMDNHOBOSLTAW-SECBINFHSA-N 0 0 206.289 3.541 20 0 BHADRN CCC[C@H](C)c1noc(C2=CCCC2)n1 ZINC000761837437 585419765 /nfs/dbraw/zinc/41/97/65/585419765.db2.gz VQMDNHOBOSLTAW-VIFPVBQESA-N 0 0 206.289 3.541 20 0 BHADRN CCC[C@@H](C)c1noc([C@H](C)CCCOC)n1 ZINC000761837440 585419733 /nfs/dbraw/zinc/41/97/33/585419733.db2.gz VQNCVRUJDRKDJG-GHMZBOCLSA-N 0 0 240.347 3.503 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H](C)CCCOC)n1 ZINC000761837443 585419763 /nfs/dbraw/zinc/41/97/63/585419763.db2.gz VQNCVRUJDRKDJG-MNOVXSKESA-N 0 0 240.347 3.503 20 0 BHADRN CCC[C@H](C)c1noc([C@@H](C)CCCOC)n1 ZINC000761837446 585419823 /nfs/dbraw/zinc/41/98/23/585419823.db2.gz VQNCVRUJDRKDJG-QWRGUYRKSA-N 0 0 240.347 3.503 20 0 BHADRN CCC[C@H](C)c1noc([C@H](C)CCCOC)n1 ZINC000761837448 585419632 /nfs/dbraw/zinc/41/96/32/585419632.db2.gz VQNCVRUJDRKDJG-WDEREUQCSA-N 0 0 240.347 3.503 20 0 BHADRN CCCCCc1nc([C@@H](C)CCC)no1 ZINC000761837531 585419677 /nfs/dbraw/zinc/41/96/77/585419677.db2.gz WEYLUHGYXXQEMX-JTQLQIEISA-N 0 0 210.321 3.706 20 0 BHADRN CCCCCc1nc([C@H](C)CCC)no1 ZINC000761837533 585419637 /nfs/dbraw/zinc/41/96/37/585419637.db2.gz WEYLUHGYXXQEMX-SNVBAGLBSA-N 0 0 210.321 3.706 20 0 BHADRN CCC[C@@H](C)c1noc(COc2ccccc2)n1 ZINC000761837694 585419757 /nfs/dbraw/zinc/41/97/57/585419757.db2.gz XQSAYWCBODIVRE-LLVKDONJSA-N 0 0 246.310 3.552 20 0 BHADRN CCC[C@H](C)c1noc(COc2ccccc2)n1 ZINC000761837696 585419755 /nfs/dbraw/zinc/41/97/55/585419755.db2.gz XQSAYWCBODIVRE-NSHDSACASA-N 0 0 246.310 3.552 20 0 BHADRN CCc1ccc(OC(=O)C(C)=C(C)C)c(OC)c1 ZINC000761838645 585419795 /nfs/dbraw/zinc/41/97/95/585419795.db2.gz BNADBOSNWLETAQ-UHFFFAOYSA-N 0 0 248.322 3.519 20 0 BHADRN CCC[C@@H](C)c1noc(Cc2ccc(C)cc2)n1 ZINC000761840737 585419766 /nfs/dbraw/zinc/41/97/66/585419766.db2.gz BRTZFJHOFWUYPK-GFCCVEGCSA-N 0 0 244.338 3.872 20 0 BHADRN CCC[C@H](C)c1noc(Cc2ccc(C)cc2)n1 ZINC000761840738 585419835 /nfs/dbraw/zinc/41/98/35/585419835.db2.gz BRTZFJHOFWUYPK-LBPRGKRZSA-N 0 0 244.338 3.872 20 0 BHADRN CCC[C@H](C)c1noc(CC2CCCC2)n1 ZINC000761840821 585419768 /nfs/dbraw/zinc/41/97/68/585419768.db2.gz BXYNFNOJAODNQJ-JTQLQIEISA-N 0 0 222.332 3.706 20 0 BHADRN CCC[C@@H](C)c1noc(CC2CCCC2)n1 ZINC000761840822 585419670 /nfs/dbraw/zinc/41/96/70/585419670.db2.gz BXYNFNOJAODNQJ-SNVBAGLBSA-N 0 0 222.332 3.706 20 0 BHADRN CCC[C@H](C)c1noc(Cc2cccc(F)c2)n1 ZINC000761840865 584912419 /nfs/dbraw/zinc/91/24/19/584912419.db2.gz ABTCHGYENXUVNR-JTQLQIEISA-N 0 0 248.301 3.703 20 0 BHADRN CCC[C@@H](C)c1noc(-c2oc(C)cc2C)n1 ZINC000761840866 585419715 /nfs/dbraw/zinc/41/97/15/585419715.db2.gz DHYMIKULJYGTDE-MRVPVSSYSA-N 0 0 234.299 3.850 20 0 BHADRN CCC[C@@H](C)c1noc(Cc2cccc(F)c2)n1 ZINC000761840867 584912381 /nfs/dbraw/zinc/91/23/81/584912381.db2.gz ABTCHGYENXUVNR-SNVBAGLBSA-N 0 0 248.301 3.703 20 0 BHADRN CCC[C@H](C)c1noc(-c2oc(C)cc2C)n1 ZINC000761840883 585419782 /nfs/dbraw/zinc/41/97/82/585419782.db2.gz DHYMIKULJYGTDE-QMMMGPOBSA-N 0 0 234.299 3.850 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H]2CCCS2)n1 ZINC000761840993 585419943 /nfs/dbraw/zinc/41/99/43/585419943.db2.gz AVGOIOSQNVUKIW-BDAKNGLRSA-N 0 0 226.345 3.541 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CCCS2)n1 ZINC000761840995 585420018 /nfs/dbraw/zinc/42/00/18/585420018.db2.gz AVGOIOSQNVUKIW-DTWKUNHWSA-N 0 0 226.345 3.541 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CCCS2)n1 ZINC000761840997 585419956 /nfs/dbraw/zinc/41/99/56/585419956.db2.gz AVGOIOSQNVUKIW-IUCAKERBSA-N 0 0 226.345 3.541 20 0 BHADRN CCC[C@@H](C)c1noc([C@H]2CCCS2)n1 ZINC000761841000 585419953 /nfs/dbraw/zinc/41/99/53/585419953.db2.gz AVGOIOSQNVUKIW-RKDXNWHRSA-N 0 0 226.345 3.541 20 0 BHADRN CCC[C@H](C)c1noc(C2(CC)CCC2)n1 ZINC000761841320 585419955 /nfs/dbraw/zinc/41/99/55/585419955.db2.gz DOFSBJIFDJOTEB-JTQLQIEISA-N 0 0 222.332 3.805 20 0 BHADRN CCC[C@@H](C)c1noc(C2(CC)CCC2)n1 ZINC000761841321 585419939 /nfs/dbraw/zinc/41/99/39/585419939.db2.gz DOFSBJIFDJOTEB-SNVBAGLBSA-N 0 0 222.332 3.805 20 0 BHADRN CCC[C@H](C)c1noc(Cc2ccccc2F)n1 ZINC000761841338 585419998 /nfs/dbraw/zinc/41/99/98/585419998.db2.gz DTDXVWLWJQUPQD-JTQLQIEISA-N 0 0 248.301 3.703 20 0 BHADRN CCC[C@@H](C)c1noc(Cc2ccccc2F)n1 ZINC000761841339 585419940 /nfs/dbraw/zinc/41/99/40/585419940.db2.gz DTDXVWLWJQUPQD-SNVBAGLBSA-N 0 0 248.301 3.703 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H]2CC=CCC2)n1 ZINC000761841506 585420017 /nfs/dbraw/zinc/42/00/17/585420017.db2.gz FUXFMQJKVYXOIR-GHMZBOCLSA-N 0 0 220.316 3.797 20 0 BHADRN CCC[C@@H](C)c1noc([C@H]2CC=CCC2)n1 ZINC000761841508 585420000 /nfs/dbraw/zinc/42/00/00/585420000.db2.gz FUXFMQJKVYXOIR-MNOVXSKESA-N 0 0 220.316 3.797 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CC=CCC2)n1 ZINC000761841509 585419900 /nfs/dbraw/zinc/41/99/00/585419900.db2.gz FUXFMQJKVYXOIR-QWRGUYRKSA-N 0 0 220.316 3.797 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CC=CCC2)n1 ZINC000761841511 585419865 /nfs/dbraw/zinc/41/98/65/585419865.db2.gz FUXFMQJKVYXOIR-WDEREUQCSA-N 0 0 220.316 3.797 20 0 BHADRN CCC[C@H](C)c1noc(-c2cc(C)ccc2O)n1 ZINC000761841625 585419902 /nfs/dbraw/zinc/41/99/02/585419902.db2.gz GMXQTVHQQWYVOP-JTQLQIEISA-N 0 0 246.310 3.654 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cc(C)ccc2O)n1 ZINC000761841628 585420021 /nfs/dbraw/zinc/42/00/21/585420021.db2.gz GMXQTVHQQWYVOP-SNVBAGLBSA-N 0 0 246.310 3.654 20 0 BHADRN CCC[C@@H](C)c1noc([C@H](CC)SC)n1 ZINC000761841781 585419930 /nfs/dbraw/zinc/41/99/30/585419930.db2.gz FHIQUFYSLBOCHL-BDAKNGLRSA-N 0 0 228.361 3.787 20 0 BHADRN CCC[C@H](C)c1noc([C@@H](CC)SC)n1 ZINC000761841782 585419858 /nfs/dbraw/zinc/41/98/58/585419858.db2.gz FHIQUFYSLBOCHL-DTWKUNHWSA-N 0 0 228.361 3.787 20 0 BHADRN CCC[C@H](C)c1noc([C@H](CC)SC)n1 ZINC000761841783 585419996 /nfs/dbraw/zinc/41/99/96/585419996.db2.gz FHIQUFYSLBOCHL-IUCAKERBSA-N 0 0 228.361 3.787 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H](CC)SC)n1 ZINC000761841784 585419995 /nfs/dbraw/zinc/41/99/95/585419995.db2.gz FHIQUFYSLBOCHL-RKDXNWHRSA-N 0 0 228.361 3.787 20 0 BHADRN CCC[C@@H](C)c1noc([C@H]2CC23CCC3)n1 ZINC000761841815 585419928 /nfs/dbraw/zinc/41/99/28/585419928.db2.gz FZOAANUYSTTWLU-NXEZZACHSA-N 0 0 220.316 3.631 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CC23CCC3)n1 ZINC000761841816 585419931 /nfs/dbraw/zinc/41/99/31/585419931.db2.gz FZOAANUYSTTWLU-UWVGGRQHSA-N 0 0 220.316 3.631 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CC23CCC3)n1 ZINC000761841817 585419885 /nfs/dbraw/zinc/41/98/85/585419885.db2.gz FZOAANUYSTTWLU-VHSXEESVSA-N 0 0 220.316 3.631 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H]2CC23CCC3)n1 ZINC000761841818 585420009 /nfs/dbraw/zinc/42/00/09/585420009.db2.gz FZOAANUYSTTWLU-ZJUUUORDSA-N 0 0 220.316 3.631 20 0 BHADRN CCC[C@H](C)c1noc(/C=C\c2ccco2)n1 ZINC000761842093 585419978 /nfs/dbraw/zinc/41/99/78/585419978.db2.gz HUPBOAWNDQDKJM-DMEOUFDRSA-N 0 0 232.283 3.737 20 0 BHADRN CCC[C@@H](C)c1noc(/C=C\c2ccco2)n1 ZINC000761842094 585419985 /nfs/dbraw/zinc/41/99/85/585419985.db2.gz HUPBOAWNDQDKJM-GQYWMQPJSA-N 0 0 232.283 3.737 20 0 BHADRN CCC[C@H](C)c1noc(/C=C/c2ccco2)n1 ZINC000761842095 584912308 /nfs/dbraw/zinc/91/23/08/584912308.db2.gz HUPBOAWNDQDKJM-JARNTUPDSA-N 0 0 232.283 3.737 20 0 BHADRN CCC[C@@H](C)c1noc(/C=C/c2ccco2)n1 ZINC000761842096 584912294 /nfs/dbraw/zinc/91/22/94/584912294.db2.gz HUPBOAWNDQDKJM-QROSGCPLSA-N 0 0 232.283 3.737 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cccc(F)c2)n1 ZINC000761842188 585420031 /nfs/dbraw/zinc/42/00/31/585420031.db2.gz IYAHXDOCGUJNCV-SECBINFHSA-N 0 0 234.274 3.779 20 0 BHADRN CCC[C@H](C)c1noc(-c2cccc(F)c2)n1 ZINC000761842190 585419881 /nfs/dbraw/zinc/41/98/81/585419881.db2.gz IYAHXDOCGUJNCV-VIFPVBQESA-N 0 0 234.274 3.779 20 0 BHADRN CCC[C@@H](C)c1noc(C2(C(F)(F)F)CC2)n1 ZINC000761842213 585419989 /nfs/dbraw/zinc/41/99/89/585419989.db2.gz JBOWUVITDOQJMV-SSDOTTSWSA-N 0 0 248.248 3.567 20 0 BHADRN CCC[C@H](C)c1noc(C2(C(F)(F)F)CC2)n1 ZINC000761842214 585419937 /nfs/dbraw/zinc/41/99/37/585419937.db2.gz JBOWUVITDOQJMV-ZETCQYMHSA-N 0 0 248.248 3.567 20 0 BHADRN CCC[C@H](C)c1noc(C(C)(Cl)Cl)n1 ZINC000761842674 585419965 /nfs/dbraw/zinc/41/99/65/585419965.db2.gz JNMQNKKBUMYDSW-LURJTMIESA-N 0 0 237.130 3.624 20 0 BHADRN CCC[C@@H](C)c1noc(C(C)(Cl)Cl)n1 ZINC000761842675 585419994 /nfs/dbraw/zinc/41/99/94/585419994.db2.gz JNMQNKKBUMYDSW-ZCFIWIBFSA-N 0 0 237.130 3.624 20 0 BHADRN CCC[C@@H](C)c1noc(Cc2cccc(C)c2)n1 ZINC000761842680 585420008 /nfs/dbraw/zinc/42/00/08/585420008.db2.gz JSNNQBSMVWFGEW-GFCCVEGCSA-N 0 0 244.338 3.872 20 0 BHADRN CCC[C@H](C)c1noc(Cc2cccc(C)c2)n1 ZINC000761842681 584912410 /nfs/dbraw/zinc/91/24/10/584912410.db2.gz JSNNQBSMVWFGEW-LBPRGKRZSA-N 0 0 244.338 3.872 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cc(C(C)C)no2)n1 ZINC000761842735 585420028 /nfs/dbraw/zinc/42/00/28/585420028.db2.gz IZRMZIKVFOKTNG-SECBINFHSA-N 0 0 249.314 3.752 20 0 BHADRN CCC[C@H](C)c1noc(-c2cc(C(C)C)no2)n1 ZINC000761842736 585419895 /nfs/dbraw/zinc/41/98/95/585419895.db2.gz IZRMZIKVFOKTNG-VIFPVBQESA-N 0 0 249.314 3.752 20 0 BHADRN CCC[C@@H](C)c1noc(CSC(C)C)n1 ZINC000761842777 585419932 /nfs/dbraw/zinc/41/99/32/585419932.db2.gz KQCLEBKEGUZGHT-SECBINFHSA-N 0 0 228.361 3.615 20 0 BHADRN CCC[C@H](C)c1noc(CSC(C)C)n1 ZINC000761842778 585419234 /nfs/dbraw/zinc/41/92/34/585419234.db2.gz KQCLEBKEGUZGHT-VIFPVBQESA-N 0 0 228.361 3.615 20 0 BHADRN CCC[C@@H](C)c1noc([C@H]2CCCCS2)n1 ZINC000761843188 585420026 /nfs/dbraw/zinc/42/00/26/585420026.db2.gz BNTLTEBDRMYDAA-NXEZZACHSA-N 0 0 240.372 3.931 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CCCCS2)n1 ZINC000761843189 585420035 /nfs/dbraw/zinc/42/00/35/585420035.db2.gz BNTLTEBDRMYDAA-UWVGGRQHSA-N 0 0 240.372 3.931 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CCCCS2)n1 ZINC000761843190 585420044 /nfs/dbraw/zinc/42/00/44/585420044.db2.gz BNTLTEBDRMYDAA-VHSXEESVSA-N 0 0 240.372 3.931 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H]2CCCCS2)n1 ZINC000761843191 585419961 /nfs/dbraw/zinc/41/99/61/585419961.db2.gz BNTLTEBDRMYDAA-ZJUUUORDSA-N 0 0 240.372 3.931 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cc(C3CC3)on2)n1 ZINC000761843281 585420023 /nfs/dbraw/zinc/42/00/23/585420023.db2.gz KSNRVFGBDHDVGJ-MRVPVSSYSA-N 0 0 247.298 3.506 20 0 BHADRN CCC[C@H](C)c1noc(-c2cc(C3CC3)on2)n1 ZINC000761843282 585419877 /nfs/dbraw/zinc/41/98/77/585419877.db2.gz KSNRVFGBDHDVGJ-QMMMGPOBSA-N 0 0 247.298 3.506 20 0 BHADRN CCC[C@H](C)c1noc(CCC(C)C)n1 ZINC000761843728 585419904 /nfs/dbraw/zinc/41/99/04/585419904.db2.gz MUSXIWMAGLTOLC-JTQLQIEISA-N 0 0 210.321 3.562 20 0 BHADRN CCC[C@@H](C)c1noc(CCC(C)C)n1 ZINC000761844066 585420003 /nfs/dbraw/zinc/42/00/03/585420003.db2.gz MUSXIWMAGLTOLC-SNVBAGLBSA-N 0 0 210.321 3.562 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccc(OC)cc2)n1 ZINC000761845259 585420191 /nfs/dbraw/zinc/42/01/91/585420191.db2.gz PRTCXPNHFYQLCW-JTQLQIEISA-N 0 0 246.310 3.649 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccc(OC)cc2)n1 ZINC000761845261 585420076 /nfs/dbraw/zinc/42/00/76/585420076.db2.gz PRTCXPNHFYQLCW-SNVBAGLBSA-N 0 0 246.310 3.649 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccoc2C)n1 ZINC000761845283 585419435 /nfs/dbraw/zinc/41/94/35/585419435.db2.gz PUOVLTFUCRPNSX-MRVPVSSYSA-N 0 0 220.272 3.542 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccoc2C)n1 ZINC000761845284 585419569 /nfs/dbraw/zinc/41/95/69/585419569.db2.gz PUOVLTFUCRPNSX-QMMMGPOBSA-N 0 0 220.272 3.542 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CC[C@@H](CC)O2)n1 ZINC000761845300 585420182 /nfs/dbraw/zinc/42/01/82/585420182.db2.gz QBJZSYHFFBNIBA-AXFHLTTASA-N 0 0 238.331 3.603 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CC[C@H](CC)O2)n1 ZINC000761845301 585420246 /nfs/dbraw/zinc/42/02/46/585420246.db2.gz QBJZSYHFFBNIBA-DCAQKATOSA-N 0 0 238.331 3.603 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CC[C@H](CC)O2)n1 ZINC000761845302 585420128 /nfs/dbraw/zinc/42/01/28/585420128.db2.gz QBJZSYHFFBNIBA-GARJFASQSA-N 0 0 238.331 3.603 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CC[C@@H](CC)O2)n1 ZINC000761845304 585420106 /nfs/dbraw/zinc/42/01/06/585420106.db2.gz QBJZSYHFFBNIBA-HBNTYKKESA-N 0 0 238.331 3.603 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CC[C@H](C)C2)n1 ZINC000761845358 585420118 /nfs/dbraw/zinc/42/01/18/585420118.db2.gz GLMYJFXFXVIUSI-DCAQKATOSA-N 0 0 222.332 3.877 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CC[C@H](C)C2)n1 ZINC000761845360 585420077 /nfs/dbraw/zinc/42/00/77/585420077.db2.gz GLMYJFXFXVIUSI-GARJFASQSA-N 0 0 222.332 3.877 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CC[C@@H](C)C2)n1 ZINC000761845362 585420155 /nfs/dbraw/zinc/42/01/55/585420155.db2.gz GLMYJFXFXVIUSI-OUAUKWLOSA-N 0 0 222.332 3.877 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CC[C@@H](C)C2)n1 ZINC000761845364 585420135 /nfs/dbraw/zinc/42/01/35/585420135.db2.gz GLMYJFXFXVIUSI-VWYCJHECSA-N 0 0 222.332 3.877 20 0 BHADRN CCC[C@H](C)c1noc(-c2ncc(C)cc2C)n1 ZINC000761845406 585420060 /nfs/dbraw/zinc/42/00/60/585420060.db2.gz HACLZDPPTDFJNJ-JTQLQIEISA-N 0 0 245.326 3.652 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ncc(C)cc2C)n1 ZINC000761845408 585420195 /nfs/dbraw/zinc/42/01/95/585420195.db2.gz HACLZDPPTDFJNJ-SNVBAGLBSA-N 0 0 245.326 3.652 20 0 BHADRN CCCSCc1nc([C@H](C)CCC)no1 ZINC000761845503 585420214 /nfs/dbraw/zinc/42/02/14/585420214.db2.gz HYVLQGWWQDICQK-SECBINFHSA-N 0 0 228.361 3.616 20 0 BHADRN CCCSCc1nc([C@@H](C)CCC)no1 ZINC000761845506 585420050 /nfs/dbraw/zinc/42/00/50/585420050.db2.gz HYVLQGWWQDICQK-VIFPVBQESA-N 0 0 228.361 3.616 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccccc2F)n1 ZINC000761845513 585420233 /nfs/dbraw/zinc/42/02/33/585420233.db2.gz CGDLKZRCAILIFZ-SECBINFHSA-N 0 0 234.274 3.779 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccccc2F)n1 ZINC000761845515 585420069 /nfs/dbraw/zinc/42/00/69/585420069.db2.gz CGDLKZRCAILIFZ-VIFPVBQESA-N 0 0 234.274 3.779 20 0 BHADRN CCC[C@@H](C)c1noc(CCc2ccccc2)n1 ZINC000761846265 585420142 /nfs/dbraw/zinc/42/01/42/585420142.db2.gz SUHILFCXHVCMIV-GFCCVEGCSA-N 0 0 244.338 3.758 20 0 BHADRN CCC[C@H](C)c1noc(CCc2ccccc2)n1 ZINC000761846266 585420120 /nfs/dbraw/zinc/42/01/20/585420120.db2.gz SUHILFCXHVCMIV-LBPRGKRZSA-N 0 0 244.338 3.758 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H](C)OCC(C)C)n1 ZINC000761846301 585420055 /nfs/dbraw/zinc/42/00/55/585420055.db2.gz UCTKGRGRKXWDCA-GHMZBOCLSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@@H](C)c1noc([C@H](C)OCC(C)C)n1 ZINC000761846302 585420242 /nfs/dbraw/zinc/42/02/42/585420242.db2.gz UCTKGRGRKXWDCA-MNOVXSKESA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@H](C)c1noc([C@H](C)OCC(C)C)n1 ZINC000761846303 585420088 /nfs/dbraw/zinc/42/00/88/585420088.db2.gz UCTKGRGRKXWDCA-QWRGUYRKSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@@H](C)c1noc(C(CC)CC)n1 ZINC000761846539 585420210 /nfs/dbraw/zinc/42/02/10/585420210.db2.gz FIWDCOGMIJPKOK-SECBINFHSA-N 0 0 210.321 3.877 20 0 BHADRN CCC[C@H](C)c1noc(C(CC)CC)n1 ZINC000761846541 585420192 /nfs/dbraw/zinc/42/01/92/585420192.db2.gz FIWDCOGMIJPKOK-VIFPVBQESA-N 0 0 210.321 3.877 20 0 BHADRN CCC[C@H](C)c1noc(CC(C)(C)CC)n1 ZINC000761846607 585420244 /nfs/dbraw/zinc/42/02/44/585420244.db2.gz LDXRCRRPUARXQL-JTQLQIEISA-N 0 0 224.348 3.952 20 0 BHADRN CCC[C@@H](C)c1noc(CC(C)(C)CC)n1 ZINC000761846611 585420189 /nfs/dbraw/zinc/42/01/89/585420189.db2.gz LDXRCRRPUARXQL-SNVBAGLBSA-N 0 0 224.348 3.952 20 0 BHADRN CCC[C@H](C)c1noc(/C=C/c2cccnc2)n1 ZINC000761846668 585420123 /nfs/dbraw/zinc/42/01/23/585420123.db2.gz FWDKUUBEPJZXIB-AEZGRPFRSA-N 0 0 243.310 3.539 20 0 BHADRN CCC[C@@H](C)c1noc(/C=C\c2cccnc2)n1 ZINC000761846671 585420255 /nfs/dbraw/zinc/42/02/55/585420255.db2.gz FWDKUUBEPJZXIB-SKVAFPRGSA-N 0 0 243.310 3.539 20 0 BHADRN CCC[C@H](C)c1noc(/C=C\c2cccnc2)n1 ZINC000761846675 585420084 /nfs/dbraw/zinc/42/00/84/585420084.db2.gz FWDKUUBEPJZXIB-TVRMLOFPSA-N 0 0 243.310 3.539 20 0 BHADRN CCC[C@@H](C)c1noc(/C=C/c2cccnc2)n1 ZINC000761846679 585420238 /nfs/dbraw/zinc/42/02/38/585420238.db2.gz FWDKUUBEPJZXIB-WSKFYRRCSA-N 0 0 243.310 3.539 20 0 BHADRN CCC[C@@H](C)c1noc(C23CCC(CC2)C3)n1 ZINC000761846979 585420109 /nfs/dbraw/zinc/42/01/09/585420109.db2.gz TUJDHMPZTKKFHT-CDWSIMAYSA-N 0 0 234.343 3.805 20 0 BHADRN CCC[C@H](C)c1noc(C23CCC(CC2)C3)n1 ZINC000761846984 585420251 /nfs/dbraw/zinc/42/02/51/585420251.db2.gz TUJDHMPZTKKFHT-IFQILLTASA-N 0 0 234.343 3.805 20 0 BHADRN CCC[C@H](C)c1noc(CCCCSC)n1 ZINC000761847150 585420121 /nfs/dbraw/zinc/42/01/21/585420121.db2.gz VHKIPQOLLKKIHH-JTQLQIEISA-N 0 0 242.388 3.659 20 0 BHADRN CCC[C@@H](C)c1noc(CCCCSC)n1 ZINC000761847151 585420217 /nfs/dbraw/zinc/42/02/17/585420217.db2.gz VHKIPQOLLKKIHH-SNVBAGLBSA-N 0 0 242.388 3.659 20 0 BHADRN CCC[C@H](C)c1noc([C@@H](C)OCC(C)C)n1 ZINC000761847193 585420179 /nfs/dbraw/zinc/42/01/79/585420179.db2.gz UCTKGRGRKXWDCA-WDEREUQCSA-N 0 0 240.347 3.707 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2Cc3ccccc32)n1 ZINC000761847264 585420168 /nfs/dbraw/zinc/42/01/68/585420168.db2.gz UQFFXEXGKHTICD-GWCFXTLKSA-N 0 0 242.322 3.661 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2Cc3ccccc32)n1 ZINC000761847267 585420199 /nfs/dbraw/zinc/42/01/99/585420199.db2.gz UQFFXEXGKHTICD-GXFFZTMASA-N 0 0 242.322 3.661 20 0 BHADRN CCC[C@@H](C)c1noc([C@H]2Cc3ccccc32)n1 ZINC000761847269 585420064 /nfs/dbraw/zinc/42/00/64/585420064.db2.gz UQFFXEXGKHTICD-MFKMUULPSA-N 0 0 242.322 3.661 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H]2Cc3ccccc32)n1 ZINC000761847272 585420176 /nfs/dbraw/zinc/42/01/76/585420176.db2.gz UQFFXEXGKHTICD-ZWNOBZJWSA-N 0 0 242.322 3.661 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CC2(Cl)Cl)n1 ZINC000761847282 585420221 /nfs/dbraw/zinc/42/02/21/585420221.db2.gz LNWQVCORRGCQSE-BQBZGAKWSA-N 0 0 249.141 3.634 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CC2(Cl)Cl)n1 ZINC000761847286 585420227 /nfs/dbraw/zinc/42/02/27/585420227.db2.gz LNWQVCORRGCQSE-NKWVEPMBSA-N 0 0 249.141 3.634 20 0 BHADRN CCC[C@@H](C)c1noc([C@H]2CC2(Cl)Cl)n1 ZINC000761847289 585420074 /nfs/dbraw/zinc/42/00/74/585420074.db2.gz LNWQVCORRGCQSE-RNFRBKRXSA-N 0 0 249.141 3.634 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H]2CC2(Cl)Cl)n1 ZINC000761847292 585420061 /nfs/dbraw/zinc/42/00/61/585420061.db2.gz LNWQVCORRGCQSE-RQJHMYQMSA-N 0 0 249.141 3.634 20 0 BHADRN CCC[C@@H](C)c1noc(C(C)(C)CC)n1 ZINC000761848234 585420201 /nfs/dbraw/zinc/42/02/01/585420201.db2.gz XPHHNDWMGHBAJR-SECBINFHSA-N 0 0 210.321 3.661 20 0 BHADRN CCC[C@H](C)c1noc(C(C)(C)CC)n1 ZINC000761848235 585420144 /nfs/dbraw/zinc/42/01/44/585420144.db2.gz XPHHNDWMGHBAJR-VIFPVBQESA-N 0 0 210.321 3.661 20 0 BHADRN C/C=C/C=C/c1nc([C@H](C)CCC)no1 ZINC000761848770 585420096 /nfs/dbraw/zinc/42/00/96/585420096.db2.gz PJQQGYYIYQMNOQ-FYGOWVPVSA-N 0 0 206.289 3.563 20 0 BHADRN C/C=C/C=C\c1nc([C@@H](C)CCC)no1 ZINC000761848771 585420080 /nfs/dbraw/zinc/42/00/80/585420080.db2.gz PJQQGYYIYQMNOQ-JVNMWMSASA-N 0 0 206.289 3.563 20 0 BHADRN C/C=C/C=C/c1nc([C@@H](C)CCC)no1 ZINC000761848774 585420231 /nfs/dbraw/zinc/42/02/31/585420231.db2.gz PJQQGYYIYQMNOQ-KHDFDBHFSA-N 0 0 206.289 3.563 20 0 BHADRN C/C=C/C=C\c1nc([C@H](C)CCC)no1 ZINC000761848775 585420220 /nfs/dbraw/zinc/42/02/20/585420220.db2.gz PJQQGYYIYQMNOQ-NDPUMTCQSA-N 0 0 206.289 3.563 20 0 BHADRN CCC[C@@H](C)c1noc(-c2occc2C)n1 ZINC000761848983 585420200 /nfs/dbraw/zinc/42/02/00/585420200.db2.gz YCHUTJCBMKVBLI-SECBINFHSA-N 0 0 220.272 3.542 20 0 BHADRN CCC[C@H](C)c1noc(-c2occc2C)n1 ZINC000761848984 585420149 /nfs/dbraw/zinc/42/01/49/585420149.db2.gz YCHUTJCBMKVBLI-VIFPVBQESA-N 0 0 220.272 3.542 20 0 BHADRN CCC[C@@H](C)c1noc(Cc2cccs2)n1 ZINC000761848995 585420257 /nfs/dbraw/zinc/42/02/57/585420257.db2.gz YJNFWPXNRKVWHT-SECBINFHSA-N 0 0 236.340 3.626 20 0 BHADRN CCC[C@H](C)c1noc(Cc2cccs2)n1 ZINC000761848996 585420059 /nfs/dbraw/zinc/42/00/59/585420059.db2.gz YJNFWPXNRKVWHT-VIFPVBQESA-N 0 0 236.340 3.626 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cc(C)oc2C)n1 ZINC000761849064 585420130 /nfs/dbraw/zinc/42/01/30/585420130.db2.gz JHMFAZQLWAWTTF-MRVPVSSYSA-N 0 0 234.299 3.850 20 0 BHADRN CCC[C@H](C)c1noc(-c2cc(C)oc2C)n1 ZINC000761849066 585420103 /nfs/dbraw/zinc/42/01/03/585420103.db2.gz JHMFAZQLWAWTTF-QMMMGPOBSA-N 0 0 234.299 3.850 20 0 BHADRN CCC[C@H](C)c1noc(/C=C(/C)C2CC2)n1 ZINC000761849688 585420083 /nfs/dbraw/zinc/42/00/83/585420083.db2.gz YHPLNVKNXAVWPN-CUQRQBARSA-N 0 0 220.316 3.787 20 0 BHADRN CCC[C@@H](C)c1noc(/C=C(\C)C2CC2)n1 ZINC000761849689 585420435 /nfs/dbraw/zinc/42/04/35/585420435.db2.gz YHPLNVKNXAVWPN-NCXKZPMSSA-N 0 0 220.316 3.787 20 0 BHADRN CCC[C@@H](C)c1noc(/C=C(/C)C2CC2)n1 ZINC000761849691 585419947 /nfs/dbraw/zinc/41/99/47/585419947.db2.gz YHPLNVKNXAVWPN-URLRMUCDSA-N 0 0 220.316 3.787 20 0 BHADRN CCC[C@H](C)c1noc(/C=C(\C)C2CC2)n1 ZINC000761849693 585420115 /nfs/dbraw/zinc/42/01/15/585420115.db2.gz YHPLNVKNXAVWPN-WKMLFNHBSA-N 0 0 220.316 3.787 20 0 BHADRN CCC[C@@H](C)c1noc(C[C@@H](C)C2CC2)n1 ZINC000761849706 585420297 /nfs/dbraw/zinc/42/02/97/585420297.db2.gz YORNUIDLBMGLQU-NXEZZACHSA-N 0 0 222.332 3.562 20 0 BHADRN CCC[C@H](C)c1noc(C[C@H](C)C2CC2)n1 ZINC000761849707 585420402 /nfs/dbraw/zinc/42/04/02/585420402.db2.gz YORNUIDLBMGLQU-UWVGGRQHSA-N 0 0 222.332 3.562 20 0 BHADRN CCC[C@H](C)c1noc(C[C@@H](C)C2CC2)n1 ZINC000761849709 585420421 /nfs/dbraw/zinc/42/04/21/585420421.db2.gz YORNUIDLBMGLQU-VHSXEESVSA-N 0 0 222.332 3.562 20 0 BHADRN CCC[C@@H](C)c1noc(C[C@H](C)C2CC2)n1 ZINC000761849711 585420267 /nfs/dbraw/zinc/42/02/67/585420267.db2.gz YORNUIDLBMGLQU-ZJUUUORDSA-N 0 0 222.332 3.562 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccccc2)n1 ZINC000761849798 585420426 /nfs/dbraw/zinc/42/04/26/585420426.db2.gz QNCGYPNXMWFFGE-JTQLQIEISA-N 0 0 216.284 3.640 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000761849800 585420284 /nfs/dbraw/zinc/42/02/84/585420284.db2.gz QNCGYPNXMWFFGE-SNVBAGLBSA-N 0 0 216.284 3.640 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccc(C)cc2)n1 ZINC000761849817 585420430 /nfs/dbraw/zinc/42/04/30/585420430.db2.gz ZMZGTELNVLEUQQ-LLVKDONJSA-N 0 0 230.311 3.949 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccc(C)cc2)n1 ZINC000761849819 585420465 /nfs/dbraw/zinc/42/04/65/585420465.db2.gz ZMZGTELNVLEUQQ-NSHDSACASA-N 0 0 230.311 3.949 20 0 BHADRN CCC[C@@H](C)c1noc([C@H](C)c2ccco2)n1 ZINC000761850515 585420279 /nfs/dbraw/zinc/42/02/79/585420279.db2.gz SFPFJNZFUYSXOM-NXEZZACHSA-N 0 0 234.299 3.718 20 0 BHADRN CCC[C@H](C)c1noc([C@@H](C)c2ccco2)n1 ZINC000761850517 585420429 /nfs/dbraw/zinc/42/04/29/585420429.db2.gz SFPFJNZFUYSXOM-UWVGGRQHSA-N 0 0 234.299 3.718 20 0 BHADRN CCC[C@H](C)c1noc([C@H](C)c2ccco2)n1 ZINC000761850518 585420320 /nfs/dbraw/zinc/42/03/20/585420320.db2.gz SFPFJNZFUYSXOM-VHSXEESVSA-N 0 0 234.299 3.718 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H](C)c2ccco2)n1 ZINC000761850519 585420441 /nfs/dbraw/zinc/42/04/41/585420441.db2.gz SFPFJNZFUYSXOM-ZJUUUORDSA-N 0 0 234.299 3.718 20 0 BHADRN CCC[C@@H](C)c1noc(C(C2CC2)C2CC2)n1 ZINC000761850635 585420273 /nfs/dbraw/zinc/42/02/73/585420273.db2.gz UNKPQSCCWJJNHY-SECBINFHSA-N 0 0 234.343 3.877 20 0 BHADRN CCC[C@H](C)c1noc(C(C2CC2)C2CC2)n1 ZINC000761850636 585420357 /nfs/dbraw/zinc/42/03/57/585420357.db2.gz UNKPQSCCWJJNHY-VIFPVBQESA-N 0 0 234.343 3.877 20 0 BHADRN CCCCO[C@H](C)c1nc([C@H](C)CCC)no1 ZINC000761851075 585420270 /nfs/dbraw/zinc/42/02/70/585420270.db2.gz MYMZKSWIVZITJC-GHMZBOCLSA-N 0 0 240.347 3.851 20 0 BHADRN CCCCO[C@@H](C)c1nc([C@H](C)CCC)no1 ZINC000761851076 585420368 /nfs/dbraw/zinc/42/03/68/585420368.db2.gz MYMZKSWIVZITJC-MNOVXSKESA-N 0 0 240.347 3.851 20 0 BHADRN CCCCO[C@@H](C)c1nc([C@@H](C)CCC)no1 ZINC000761851077 585420321 /nfs/dbraw/zinc/42/03/21/585420321.db2.gz MYMZKSWIVZITJC-QWRGUYRKSA-N 0 0 240.347 3.851 20 0 BHADRN CCCCO[C@H](C)c1nc([C@@H](C)CCC)no1 ZINC000761851078 585420327 /nfs/dbraw/zinc/42/03/27/585420327.db2.gz MYMZKSWIVZITJC-WDEREUQCSA-N 0 0 240.347 3.851 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cccs2)n1 ZINC000761851458 585420392 /nfs/dbraw/zinc/42/03/92/585420392.db2.gz GDIKNOYEBAJRDP-MRVPVSSYSA-N 0 0 222.313 3.702 20 0 BHADRN CCC[C@H](C)c1noc(-c2cccs2)n1 ZINC000761851460 585420422 /nfs/dbraw/zinc/42/04/22/585420422.db2.gz GDIKNOYEBAJRDP-QMMMGPOBSA-N 0 0 222.313 3.702 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccc(C)cc2O)n1 ZINC000761851937 585420365 /nfs/dbraw/zinc/42/03/65/585420365.db2.gz PZLCUJQSEPBTOM-JTQLQIEISA-N 0 0 246.310 3.654 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccc(C)cc2O)n1 ZINC000761851939 585420375 /nfs/dbraw/zinc/42/03/75/585420375.db2.gz PZLCUJQSEPBTOM-SNVBAGLBSA-N 0 0 246.310 3.654 20 0 BHADRN CCC[C@H](C)c1noc(Cc2ccc(F)cc2)n1 ZINC000761852216 585420469 /nfs/dbraw/zinc/42/04/69/585420469.db2.gz HWLVADMUJLSMAU-JTQLQIEISA-N 0 0 248.301 3.703 20 0 BHADRN CCC[C@@H](C)c1noc(Cc2ccc(F)cc2)n1 ZINC000761852219 585420389 /nfs/dbraw/zinc/42/03/89/585420389.db2.gz HWLVADMUJLSMAU-SNVBAGLBSA-N 0 0 248.301 3.703 20 0 BHADRN CCC[C@@H](C)c1noc(Cc2ccsc2)n1 ZINC000761852475 585420215 /nfs/dbraw/zinc/42/02/15/585420215.db2.gz JMSYXMDOJZQAID-SECBINFHSA-N 0 0 236.340 3.626 20 0 BHADRN CCC[C@H](C)c1noc(Cc2ccsc2)n1 ZINC000761852478 585420068 /nfs/dbraw/zinc/42/00/68/585420068.db2.gz JMSYXMDOJZQAID-VIFPVBQESA-N 0 0 236.340 3.626 20 0 BHADRN CC/C=C(/C)c1nc([C@@H](C)CCC)no1 ZINC000761852620 585420373 /nfs/dbraw/zinc/42/03/73/585420373.db2.gz QXWQNXCPQYDOJN-CUQRQBARSA-N 0 0 208.305 3.787 20 0 BHADRN CC/C=C(\C)c1nc([C@H](C)CCC)no1 ZINC000761852621 585420394 /nfs/dbraw/zinc/42/03/94/585420394.db2.gz QXWQNXCPQYDOJN-NCXKZPMSSA-N 0 0 208.305 3.787 20 0 BHADRN CC/C=C(/C)c1nc([C@H](C)CCC)no1 ZINC000761852623 585420313 /nfs/dbraw/zinc/42/03/13/585420313.db2.gz QXWQNXCPQYDOJN-URLRMUCDSA-N 0 0 208.305 3.787 20 0 BHADRN CC/C=C(\C)c1nc([C@@H](C)CCC)no1 ZINC000761852624 585420386 /nfs/dbraw/zinc/42/03/86/585420386.db2.gz QXWQNXCPQYDOJN-WKMLFNHBSA-N 0 0 208.305 3.787 20 0 BHADRN CCC[C@H](C)c1noc(CCC2CCC2)n1 ZINC000761852716 585420413 /nfs/dbraw/zinc/42/04/13/585420413.db2.gz STHZJGMXCBIHMJ-JTQLQIEISA-N 0 0 222.332 3.706 20 0 BHADRN CCC[C@@H](C)c1noc(CCC2CCC2)n1 ZINC000761852717 585420289 /nfs/dbraw/zinc/42/02/89/585420289.db2.gz STHZJGMXCBIHMJ-SNVBAGLBSA-N 0 0 222.332 3.706 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cc(C(C)C)on2)n1 ZINC000761852724 585420299 /nfs/dbraw/zinc/42/02/99/585420299.db2.gz SVWRRQOBVRROND-SECBINFHSA-N 0 0 249.314 3.752 20 0 BHADRN CCC[C@H](C)c1noc(-c2cc(C(C)C)on2)n1 ZINC000761852725 585420362 /nfs/dbraw/zinc/42/03/62/585420362.db2.gz SVWRRQOBVRROND-VIFPVBQESA-N 0 0 249.314 3.752 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccccc2C)n1 ZINC000761853052 585420352 /nfs/dbraw/zinc/42/03/52/585420352.db2.gz KRYINOJNCIZVCE-LLVKDONJSA-N 0 0 230.311 3.949 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccccc2C)n1 ZINC000761853053 585420440 /nfs/dbraw/zinc/42/04/40/585420440.db2.gz KRYINOJNCIZVCE-NSHDSACASA-N 0 0 230.311 3.949 20 0 BHADRN CCC[C@@H](C)c1noc(CC(C)(C)C)n1 ZINC000761853487 585420353 /nfs/dbraw/zinc/42/03/53/585420353.db2.gz MFFOLKPFXAQNLT-SECBINFHSA-N 0 0 210.321 3.562 20 0 BHADRN CCC[C@H](C)c1noc(CC(C)(C)C)n1 ZINC000761853490 585420294 /nfs/dbraw/zinc/42/02/94/585420294.db2.gz MFFOLKPFXAQNLT-VIFPVBQESA-N 0 0 210.321 3.562 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccsc2)n1 ZINC000761853563 585420466 /nfs/dbraw/zinc/42/04/66/585420466.db2.gz WQSFEAMGVWZNIT-MRVPVSSYSA-N 0 0 222.313 3.702 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccsc2)n1 ZINC000761853565 585420444 /nfs/dbraw/zinc/42/04/44/585420444.db2.gz WQSFEAMGVWZNIT-QMMMGPOBSA-N 0 0 222.313 3.702 20 0 BHADRN CCC[C@H](C)c1noc(CCC(C)(C)C)n1 ZINC000761853636 585420446 /nfs/dbraw/zinc/42/04/46/585420446.db2.gz NIDKZHYMJDIBNP-JTQLQIEISA-N 0 0 224.348 3.952 20 0 BHADRN CCC[C@@H](C)c1noc(CCC(C)(C)C)n1 ZINC000761853639 585420361 /nfs/dbraw/zinc/42/03/61/585420361.db2.gz NIDKZHYMJDIBNP-SNVBAGLBSA-N 0 0 224.348 3.952 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccc(Cl)o2)n1 ZINC000761853685 585420586 /nfs/dbraw/zinc/42/05/86/585420586.db2.gz NLZPVRSUFWTJRP-SSDOTTSWSA-N 0 0 240.690 3.887 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccc(Cl)o2)n1 ZINC000761853687 585420570 /nfs/dbraw/zinc/42/05/70/585420570.db2.gz NLZPVRSUFWTJRP-ZETCQYMHSA-N 0 0 240.690 3.887 20 0 BHADRN CCC[C@H](C)c1noc(C=C2CCCC2)n1 ZINC000761854075 585420656 /nfs/dbraw/zinc/42/06/56/585420656.db2.gz YZJXLUYIMBVWEU-JTQLQIEISA-N 0 0 220.316 3.931 20 0 BHADRN CCC[C@@H](C)c1noc(C=C2CCCC2)n1 ZINC000761854076 585419742 /nfs/dbraw/zinc/41/97/42/585419742.db2.gz YZJXLUYIMBVWEU-SNVBAGLBSA-N 0 0 220.316 3.931 20 0 BHADRN CC(C)Oc1ccc2c(c1)oc(=O)cc2C(C)C ZINC000761854965 585420660 /nfs/dbraw/zinc/42/06/60/585420660.db2.gz LHSZBWFKPQHEDY-UHFFFAOYSA-N 0 0 246.306 3.704 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccc(C)o2)n1 ZINC000761855119 585420473 /nfs/dbraw/zinc/42/04/73/585420473.db2.gz SCJKXOVZEGKPKI-MRVPVSSYSA-N 0 0 220.272 3.542 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccc(C)o2)n1 ZINC000761855121 585420597 /nfs/dbraw/zinc/42/05/97/585420597.db2.gz SCJKXOVZEGKPKI-QMMMGPOBSA-N 0 0 220.272 3.542 20 0 BHADRN CCC[C@H](C)c1noc(C2(C)CCCC2)n1 ZINC000761855132 585420694 /nfs/dbraw/zinc/42/06/94/585420694.db2.gz SHPOXHDSSWOLLO-JTQLQIEISA-N 0 0 222.332 3.805 20 0 BHADRN CCC[C@@H](C)c1noc(C2(C)CCCC2)n1 ZINC000761855133 585420617 /nfs/dbraw/zinc/42/06/17/585420617.db2.gz SHPOXHDSSWOLLO-SNVBAGLBSA-N 0 0 222.332 3.805 20 0 BHADRN CCC[C@H](C)c1noc(C2=C(C)CCC2)n1 ZINC000761856903 585420732 /nfs/dbraw/zinc/42/07/32/585420732.db2.gz WKWUAQGKYQDEST-JTQLQIEISA-N 0 0 220.316 3.931 20 0 BHADRN CCC[C@@H](C)c1noc(C2=C(C)CCC2)n1 ZINC000761856905 585420734 /nfs/dbraw/zinc/42/07/34/585420734.db2.gz WKWUAQGKYQDEST-SNVBAGLBSA-N 0 0 220.316 3.931 20 0 BHADRN Cc1ccc(C)c(Oc2nc(C)nc(C)c2C)c1 ZINC000761874332 585421683 /nfs/dbraw/zinc/42/16/83/585421683.db2.gz BKFPILCGIZWTHV-UHFFFAOYSA-N 0 0 242.322 3.811 20 0 BHADRN Cc1nc(C)c(C)c(Oc2cccc(Cl)c2)n1 ZINC000761875364 585421687 /nfs/dbraw/zinc/42/16/87/585421687.db2.gz JPWWUQOCMJIBLV-UHFFFAOYSA-N 0 0 248.713 3.848 20 0 BHADRN CCc1cccc(Oc2nc(C)nc(C)c2C)c1 ZINC000761875723 585421787 /nfs/dbraw/zinc/42/17/87/585421787.db2.gz WRKNKEHYTHSDRT-UHFFFAOYSA-N 0 0 242.322 3.757 20 0 BHADRN Cc1nc(C)c(C)c(SC2CCCCC2)n1 ZINC000761877828 585421653 /nfs/dbraw/zinc/42/16/53/585421653.db2.gz ZQJUKMHPEVITLW-UHFFFAOYSA-N 0 0 236.384 3.827 20 0 BHADRN CC[C@@H](C)CSc1nc(C)nc(C)c1C ZINC000761905098 585422695 /nfs/dbraw/zinc/42/26/95/585422695.db2.gz CYEDDPHNDIYENY-MRVPVSSYSA-N 0 0 224.373 3.540 20 0 BHADRN CC[C@H](C)CSc1nc(C)nc(C)c1C ZINC000761905174 585422721 /nfs/dbraw/zinc/42/27/21/585422721.db2.gz CYEDDPHNDIYENY-QMMMGPOBSA-N 0 0 224.373 3.540 20 0 BHADRN O=C(Oc1ccc(Cl)c(F)c1)C1CCCC1 ZINC000761909773 585422700 /nfs/dbraw/zinc/42/27/00/585422700.db2.gz DFTODDBMKLRUIT-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN O=C(CC1CCC1)Oc1ccc(Cl)c(F)c1 ZINC000761910636 585422953 /nfs/dbraw/zinc/42/29/53/585422953.db2.gz JPNLPGHJUMMDSX-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN CC(C)(C)CC(=O)Oc1ccc(Cl)c(F)c1 ZINC000761911018 585422900 /nfs/dbraw/zinc/42/29/00/585422900.db2.gz CBSSSXFQAQRXFE-UHFFFAOYSA-N 0 0 244.693 3.821 20 0 BHADRN CCC(C)(C)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000761911719 585422859 /nfs/dbraw/zinc/42/28/59/585422859.db2.gz MFCNGRNXRDPOFO-UHFFFAOYSA-N 0 0 244.693 3.821 20 0 BHADRN CC1(C(=O)Oc2ccc(Cl)c(F)c2)CCC1 ZINC000761912050 585422657 /nfs/dbraw/zinc/42/26/57/585422657.db2.gz HFJBRSGBMSLFAY-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN CCC(CC)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000761912387 585422878 /nfs/dbraw/zinc/42/28/78/585422878.db2.gz GQNQFMQBWDRTOF-UHFFFAOYSA-N 0 0 244.693 3.821 20 0 BHADRN O=C(CCC1CC1)Oc1ccc(Cl)c(F)c1 ZINC000761912976 585422949 /nfs/dbraw/zinc/42/29/49/585422949.db2.gz QRUDSHGSNBSEBN-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN CCCCCCC(=O)NC1CCC(F)(F)CC1 ZINC000761914723 585422822 /nfs/dbraw/zinc/42/28/22/585422822.db2.gz NPICTUWMUJGPPB-UHFFFAOYSA-N 0 0 247.329 3.651 20 0 BHADRN CC(C)=C(C)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000761918351 585422884 /nfs/dbraw/zinc/42/28/84/585422884.db2.gz KYFGKVLOACLNRU-UHFFFAOYSA-N 0 0 242.677 3.741 20 0 BHADRN CC(C)[C@@H](C)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000761920923 585422763 /nfs/dbraw/zinc/42/27/63/585422763.db2.gz WGBUWHFWJSNOMJ-MRVPVSSYSA-N 0 0 244.693 3.677 20 0 BHADRN CC(C)[C@H](C)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000761920934 585422899 /nfs/dbraw/zinc/42/28/99/585422899.db2.gz WGBUWHFWJSNOMJ-QMMMGPOBSA-N 0 0 244.693 3.677 20 0 BHADRN C/C=C/C=C\C(=O)Oc1ccc(Cl)c(F)c1 ZINC000761921243 585422857 /nfs/dbraw/zinc/42/28/57/585422857.db2.gz XISPULHWGBVKGG-IAROGAJJSA-N 0 0 240.661 3.517 20 0 BHADRN C/C=C/C=C/C(=O)Oc1ccc(Cl)c(F)c1 ZINC000761921252 585422950 /nfs/dbraw/zinc/42/29/50/585422950.db2.gz XISPULHWGBVKGG-MQQKCMAXSA-N 0 0 240.661 3.517 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000761926613 585422898 /nfs/dbraw/zinc/42/28/98/585422898.db2.gz WTKIKARAWDVGQQ-MRVPVSSYSA-N 0 0 244.693 3.821 20 0 BHADRN CCC[C@H](C)C(=O)Oc1ccc(Cl)c(F)c1 ZINC000761926616 585422894 /nfs/dbraw/zinc/42/28/94/585422894.db2.gz WTKIKARAWDVGQQ-QMMMGPOBSA-N 0 0 244.693 3.821 20 0 BHADRN CCC[C@@H](C)OC(=O)C(F)=C1CCCC1 ZINC000761965823 585423602 /nfs/dbraw/zinc/42/36/02/585423602.db2.gz NJGDRBRAMFUFJV-SECBINFHSA-N 0 0 214.280 3.516 20 0 BHADRN CCC[C@H](C)OC(=O)C(F)=C1CCCC1 ZINC000761965824 585423592 /nfs/dbraw/zinc/42/35/92/585423592.db2.gz NJGDRBRAMFUFJV-VIFPVBQESA-N 0 0 214.280 3.516 20 0 BHADRN O=C(OCc1ccccc1)C(F)=C1CCCC1 ZINC000761968629 585423479 /nfs/dbraw/zinc/42/34/79/585423479.db2.gz LZMHDFMYPQHXQF-UHFFFAOYSA-N 0 0 234.270 3.527 20 0 BHADRN CC[C@H](C)OC(=O)Cc1ccc(C)cc1Cl ZINC000761998072 585423828 /nfs/dbraw/zinc/42/38/28/585423828.db2.gz STWYDHQEMYVGRO-JTQLQIEISA-N 0 0 240.730 3.533 20 0 BHADRN CC[C@@H](C)OC(=O)Cc1ccc(C)cc1Cl ZINC000761998073 585423844 /nfs/dbraw/zinc/42/38/44/585423844.db2.gz STWYDHQEMYVGRO-SNVBAGLBSA-N 0 0 240.730 3.533 20 0 BHADRN CCCCCCOC(=O)CC1CCSCC1 ZINC000762003245 644650301 /nfs/dbraw/zinc/65/03/01/644650301.db2.gz HKICBDWQXHJDDR-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CCC(CC)c1noc(C(C)(Cl)Cl)n1 ZINC000762028917 585424744 /nfs/dbraw/zinc/42/47/44/585424744.db2.gz DXBKITHATRUFAC-UHFFFAOYSA-N 0 0 237.130 3.624 20 0 BHADRN CCC(CC)c1noc(C[C@@H](C)C2CC2)n1 ZINC000762031265 585424733 /nfs/dbraw/zinc/42/47/33/585424733.db2.gz HLVUDDWVUHXBGO-SECBINFHSA-N 0 0 222.332 3.562 20 0 BHADRN CCC(CC)c1noc(C[C@H](C)C2CC2)n1 ZINC000762031266 585424678 /nfs/dbraw/zinc/42/46/78/585424678.db2.gz HLVUDDWVUHXBGO-VIFPVBQESA-N 0 0 222.332 3.562 20 0 BHADRN CCCC[C@H](CCC)OC(=O)[C@@H]1CCSC1 ZINC000762032625 585424646 /nfs/dbraw/zinc/42/46/46/585424646.db2.gz SHIDTORBXGMHPL-NEPJUHHUSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)[C@H]1CCSC1 ZINC000762032630 585424635 /nfs/dbraw/zinc/42/46/35/585424635.db2.gz SHIDTORBXGMHPL-NWDGAFQWSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC[C@H](CCC)OC(=O)[C@H]1CCSC1 ZINC000762032635 585424647 /nfs/dbraw/zinc/42/46/47/585424647.db2.gz SHIDTORBXGMHPL-RYUDHWBXSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)[C@@H]1CCSC1 ZINC000762032638 585424664 /nfs/dbraw/zinc/42/46/64/585424664.db2.gz SHIDTORBXGMHPL-VXGBXAGGSA-N 0 0 244.400 3.642 20 0 BHADRN CCC(CC)c1noc(-c2ncc(C)cc2C)n1 ZINC000762035794 585424919 /nfs/dbraw/zinc/42/49/19/585424919.db2.gz LZZINSFURKXGHY-UHFFFAOYSA-N 0 0 245.326 3.652 20 0 BHADRN CCC(CC)c1noc([C@H]2CC2(Cl)Cl)n1 ZINC000762038036 585424918 /nfs/dbraw/zinc/42/49/18/585424918.db2.gz VWOIWLZASRVRQN-SSDOTTSWSA-N 0 0 249.141 3.634 20 0 BHADRN CCC(CC)c1noc([C@@H]2CC2(Cl)Cl)n1 ZINC000762038039 585424848 /nfs/dbraw/zinc/42/48/48/585424848.db2.gz VWOIWLZASRVRQN-ZETCQYMHSA-N 0 0 249.141 3.634 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCc1cccs1 ZINC000762041698 585424995 /nfs/dbraw/zinc/42/49/95/585424995.db2.gz AQOJQNLOLOZXED-JTQLQIEISA-N 0 0 240.368 3.864 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCc1cccs1 ZINC000762041699 585424931 /nfs/dbraw/zinc/42/49/31/585424931.db2.gz AQOJQNLOLOZXED-SNVBAGLBSA-N 0 0 240.368 3.864 20 0 BHADRN CCCCCCOC(=O)c1cccc(C(C)C)n1 ZINC000762044645 585425240 /nfs/dbraw/zinc/42/52/40/585425240.db2.gz RZMRECQEUAHVAK-UHFFFAOYSA-N 0 0 249.354 3.942 20 0 BHADRN CC(C)c1cccc(C(=O)OCCC(C)(C)C)n1 ZINC000762046474 585425190 /nfs/dbraw/zinc/42/51/90/585425190.db2.gz STXVLZMAMSVPTI-UHFFFAOYSA-N 0 0 249.354 3.798 20 0 BHADRN CC(C)c1cccc(C(=O)OCC2CCCC2)n1 ZINC000762047074 585425125 /nfs/dbraw/zinc/42/51/25/585425125.db2.gz XOUOKVBOERMYKO-UHFFFAOYSA-N 0 0 247.338 3.552 20 0 BHADRN CCCCCOC(=O)c1cccc(C(C)C)n1 ZINC000762047321 585425251 /nfs/dbraw/zinc/42/52/51/585425251.db2.gz SJLPDKFPAOXVPM-UHFFFAOYSA-N 0 0 235.327 3.552 20 0 BHADRN CCC[C@@H](C)OC(=O)c1cccc(C(C)C)n1 ZINC000762054218 585425380 /nfs/dbraw/zinc/42/53/80/585425380.db2.gz CEHWJRHDLLXBNT-LLVKDONJSA-N 0 0 235.327 3.550 20 0 BHADRN CCC[C@H](C)OC(=O)c1cccc(C(C)C)n1 ZINC000762054219 585425304 /nfs/dbraw/zinc/42/53/04/585425304.db2.gz CEHWJRHDLLXBNT-NSHDSACASA-N 0 0 235.327 3.550 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCc1ccoc1C ZINC000762060514 585425371 /nfs/dbraw/zinc/42/53/71/585425371.db2.gz QXUFPIIBVICDJT-JTQLQIEISA-N 0 0 238.327 3.704 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCc1ccoc1C ZINC000762060515 585425325 /nfs/dbraw/zinc/42/53/25/585425325.db2.gz QXUFPIIBVICDJT-SNVBAGLBSA-N 0 0 238.327 3.704 20 0 BHADRN CS/C=C\c1nc(-c2cc(C)cc(C)c2)no1 ZINC000762063200 585425265 /nfs/dbraw/zinc/42/52/65/585425265.db2.gz ZCRRYQKAAVIPPR-PLNGDYQASA-N 0 0 246.335 3.687 20 0 BHADRN CS/C=C/c1nc(-c2cc(C)cc(C)c2)no1 ZINC000762063201 585425397 /nfs/dbraw/zinc/42/53/97/585425397.db2.gz ZCRRYQKAAVIPPR-SNAWJCMRSA-N 0 0 246.335 3.687 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCc1ccsc1 ZINC000762064484 585425660 /nfs/dbraw/zinc/42/56/60/585425660.db2.gz JTLVIQXTBSXQMH-JTQLQIEISA-N 0 0 240.368 3.864 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCc1ccsc1 ZINC000762064485 585425613 /nfs/dbraw/zinc/42/56/13/585425613.db2.gz JTLVIQXTBSXQMH-SNVBAGLBSA-N 0 0 240.368 3.864 20 0 BHADRN CC(C)c1cccc(C(=O)OC2CCCCC2)n1 ZINC000762064830 585425573 /nfs/dbraw/zinc/42/55/73/585425573.db2.gz YRGNLCUSIMNPEY-UHFFFAOYSA-N 0 0 247.338 3.695 20 0 BHADRN CC(C)CCCOC(=O)c1cccc(C(C)C)n1 ZINC000762066937 585425583 /nfs/dbraw/zinc/42/55/83/585425583.db2.gz DWTBIIGUQGCOPX-UHFFFAOYSA-N 0 0 249.354 3.798 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)[C@H]1CCSC1 ZINC000762067352 585425319 /nfs/dbraw/zinc/42/53/19/585425319.db2.gz CPTJAXSIDMPSDT-NEPJUHHUSA-N 0 0 244.400 3.642 20 0 BHADRN CCCCCC[C@H](C)OC(=O)[C@@H]1CCSC1 ZINC000762067353 585425339 /nfs/dbraw/zinc/42/53/39/585425339.db2.gz CPTJAXSIDMPSDT-NWDGAFQWSA-N 0 0 244.400 3.642 20 0 BHADRN CCCCCC[C@H](C)OC(=O)[C@H]1CCSC1 ZINC000762067354 585425308 /nfs/dbraw/zinc/42/53/08/585425308.db2.gz CPTJAXSIDMPSDT-RYUDHWBXSA-N 0 0 244.400 3.642 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)[C@@H]1CCSC1 ZINC000762067355 585425271 /nfs/dbraw/zinc/42/52/71/585425271.db2.gz CPTJAXSIDMPSDT-VXGBXAGGSA-N 0 0 244.400 3.642 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)c1cccc(C(C)C)n1 ZINC000762069802 585425649 /nfs/dbraw/zinc/42/56/49/585425649.db2.gz OLQPZGPVEURTKI-GFCCVEGCSA-N 0 0 249.354 3.796 20 0 BHADRN CC(C)C[C@H](C)OC(=O)c1cccc(C(C)C)n1 ZINC000762069804 585425463 /nfs/dbraw/zinc/42/54/63/585425463.db2.gz OLQPZGPVEURTKI-LBPRGKRZSA-N 0 0 249.354 3.796 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OC1(C2CC2)CC1 ZINC000762070643 585425574 /nfs/dbraw/zinc/42/55/74/585425574.db2.gz CCAWMXFSRNPIKO-JTQLQIEISA-N 0 0 224.344 3.545 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OC1(C2CC2)CC1 ZINC000762070645 585425604 /nfs/dbraw/zinc/42/56/04/585425604.db2.gz CCAWMXFSRNPIKO-SNVBAGLBSA-N 0 0 224.344 3.545 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OC1(C)CCC1 ZINC000762071296 585425603 /nfs/dbraw/zinc/42/56/03/585425603.db2.gz VWFMJOCCOCIZSH-JTQLQIEISA-N 0 0 212.333 3.545 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OC1(C)CCC1 ZINC000762071297 585425635 /nfs/dbraw/zinc/42/56/35/585425635.db2.gz VWFMJOCCOCIZSH-SNVBAGLBSA-N 0 0 212.333 3.545 20 0 BHADRN CC/C=C/CCOC(=O)c1cccc(C(C)C)n1 ZINC000762074321 585425778 /nfs/dbraw/zinc/42/57/78/585425778.db2.gz FNHGBGYOHSFZQJ-AATRIKPKSA-N 0 0 247.338 3.718 20 0 BHADRN CC/C=C\CCOC(=O)c1cccc(C(C)C)n1 ZINC000762074323 585425695 /nfs/dbraw/zinc/42/56/95/585425695.db2.gz FNHGBGYOHSFZQJ-WAYWQWQTSA-N 0 0 247.338 3.718 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCc1ccc(C)nc1 ZINC000762082619 585426058 /nfs/dbraw/zinc/42/60/58/585426058.db2.gz LRKSLJTVDMLSIH-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCc1ccc(C)nc1 ZINC000762082621 585425957 /nfs/dbraw/zinc/42/59/57/585425957.db2.gz LRKSLJTVDMLSIH-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN CCCCCCC(=O)OCCCC(F)(F)F ZINC000762087420 585425985 /nfs/dbraw/zinc/42/59/85/585425985.db2.gz JBMFMNFFJPZBLN-UHFFFAOYSA-N 0 0 240.265 3.843 20 0 BHADRN CCC[C@@H](C)CC(=O)OCCCC(F)(F)F ZINC000762087453 585425930 /nfs/dbraw/zinc/42/59/30/585425930.db2.gz JJWGEMXJGOSFMG-SECBINFHSA-N 0 0 240.265 3.698 20 0 BHADRN CCC[C@H](C)CC(=O)OCCCC(F)(F)F ZINC000762087454 585425956 /nfs/dbraw/zinc/42/59/56/585425956.db2.gz JJWGEMXJGOSFMG-VIFPVBQESA-N 0 0 240.265 3.698 20 0 BHADRN CCC(=CC(=O)OCCCC(F)(F)F)CC ZINC000762087547 585425892 /nfs/dbraw/zinc/42/58/92/585425892.db2.gz HSLRECSAXDLVFS-UHFFFAOYSA-N 0 0 238.249 3.619 20 0 BHADRN CCC(CC)CC(=O)OCCCC(F)(F)F ZINC000762088498 585426042 /nfs/dbraw/zinc/42/60/42/585426042.db2.gz YLNYAMQIXYVXFJ-UHFFFAOYSA-N 0 0 240.265 3.698 20 0 BHADRN CCC(C)(C)COC(=O)c1cccc(C(C)C)n1 ZINC000762089814 585426171 /nfs/dbraw/zinc/42/61/71/585426171.db2.gz CHWRKFHNHYFPOB-UHFFFAOYSA-N 0 0 249.354 3.798 20 0 BHADRN CCC/C(C)=C/C(=O)OCCCC(F)(F)F ZINC000762099054 585426669 /nfs/dbraw/zinc/42/66/69/585426669.db2.gz KQZWHZQMSVGEHI-CMDGGOBGSA-N 0 0 238.249 3.619 20 0 BHADRN CCC/C(C)=C\C(=O)OCCCC(F)(F)F ZINC000762099055 585426580 /nfs/dbraw/zinc/42/65/80/585426580.db2.gz KQZWHZQMSVGEHI-HJWRWDBZSA-N 0 0 238.249 3.619 20 0 BHADRN CCC(CC)OC(=O)c1ccc(C(F)F)cc1 ZINC000762101902 585426526 /nfs/dbraw/zinc/42/65/26/585426526.db2.gz HNDQBGVKDXFFJK-UHFFFAOYSA-N 0 0 242.265 3.970 20 0 BHADRN CCC(C)(C)CC(=O)OCCCC(F)(F)F ZINC000762102132 585426589 /nfs/dbraw/zinc/42/65/89/585426589.db2.gz MECAVNHAXFGZEK-UHFFFAOYSA-N 0 0 240.265 3.698 20 0 BHADRN C[C@H](C(=O)OCCCC(F)(F)F)C(C)(C)C ZINC000762102631 585426547 /nfs/dbraw/zinc/42/65/47/585426547.db2.gz SFNPELLGXRCRLI-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN C[C@@H](C(=O)OCCCC(F)(F)F)C(C)(C)C ZINC000762102633 585426567 /nfs/dbraw/zinc/42/65/67/585426567.db2.gz SFNPELLGXRCRLI-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CC(C)(C)CCC(=O)OCCCC(F)(F)F ZINC000762102643 585426512 /nfs/dbraw/zinc/42/65/12/585426512.db2.gz SXSHVZLRXNZCTM-UHFFFAOYSA-N 0 0 240.265 3.698 20 0 BHADRN CCC(CC)OC(=O)Cc1cccc(Cl)c1 ZINC000762103784 585426643 /nfs/dbraw/zinc/42/66/43/585426643.db2.gz SRGFAWRUNJIBKP-UHFFFAOYSA-N 0 0 240.730 3.614 20 0 BHADRN CCC(CC)OC(=O)c1cccc(C(C)C)n1 ZINC000762104048 585426545 /nfs/dbraw/zinc/42/65/45/585426545.db2.gz VCDAFCALQXTUDZ-UHFFFAOYSA-N 0 0 235.327 3.550 20 0 BHADRN CCC(CC)OC(=O)c1cc2ccsc2[nH]1 ZINC000762107693 585426750 /nfs/dbraw/zinc/42/67/50/585426750.db2.gz FAUPTOJRUPANNT-UHFFFAOYSA-N 0 0 237.324 3.575 20 0 BHADRN CCC(CC)OC(=O)[C@H](C)Cc1ccccc1 ZINC000762107731 585426721 /nfs/dbraw/zinc/42/67/21/585426721.db2.gz HETGVOXBRUCGKK-GFCCVEGCSA-N 0 0 234.339 3.597 20 0 BHADRN CCC(CC)OC(=O)[C@@H](C)Cc1ccccc1 ZINC000762107732 585426735 /nfs/dbraw/zinc/42/67/35/585426735.db2.gz HETGVOXBRUCGKK-LBPRGKRZSA-N 0 0 234.339 3.597 20 0 BHADRN CCC(CC)OC(=O)CC(C)(C)CC ZINC000762108382 585426869 /nfs/dbraw/zinc/42/68/69/585426869.db2.gz NRYTVNVTLFHYHZ-UHFFFAOYSA-N 0 0 200.322 3.545 20 0 BHADRN CCC(CC)OC(=O)c1cccc2cc[nH]c21 ZINC000762108388 585426842 /nfs/dbraw/zinc/42/68/42/585426842.db2.gz OBVNXQJWJLYSTR-UHFFFAOYSA-N 0 0 231.295 3.513 20 0 BHADRN CCC(CC)OC(=O)c1cc(C)c(F)cc1F ZINC000762109059 585426716 /nfs/dbraw/zinc/42/67/16/585426716.db2.gz UVFCHIPWLXYSRH-UHFFFAOYSA-N 0 0 242.265 3.619 20 0 BHADRN CCC(CC)OC(=O)c1cc(F)c(C)cc1F ZINC000762109067 585426827 /nfs/dbraw/zinc/42/68/27/585426827.db2.gz VBZFYPUZGVXGLV-UHFFFAOYSA-N 0 0 242.265 3.619 20 0 BHADRN CCC(CC)OC(=O)Cc1ccccc1Cl ZINC000762109757 585426732 /nfs/dbraw/zinc/42/67/32/585426732.db2.gz ABPKRGVTQGIMOJ-UHFFFAOYSA-N 0 0 240.730 3.614 20 0 BHADRN CCC(CC)OC(=O)Cc1cc2ccccc2o1 ZINC000762110201 585426754 /nfs/dbraw/zinc/42/67/54/585426754.db2.gz DIIMAVXTDLRWKH-UHFFFAOYSA-N 0 0 246.306 3.707 20 0 BHADRN CCC(CC)OC(=O)c1ccc(F)cc1Cl ZINC000762110216 585426815 /nfs/dbraw/zinc/42/68/15/585426815.db2.gz FIJHGCVWEXAPQU-UHFFFAOYSA-N 0 0 244.693 3.825 20 0 BHADRN CCC(CC)OC(=O)c1ccc(Cl)s1 ZINC000762110239 641718421 /nfs/dbraw/zinc/71/84/21/641718421.db2.gz HGJSTFIMRSYGMK-UHFFFAOYSA-N 0 0 232.732 3.747 20 0 BHADRN CCC(CC)OC(=O)Cc1ccc(Cl)cc1 ZINC000762110249 585426856 /nfs/dbraw/zinc/42/68/56/585426856.db2.gz HUSLAQVQHPNICY-UHFFFAOYSA-N 0 0 240.730 3.614 20 0 BHADRN CCC(CC)OC(=O)c1ccc2cc[nH]c2c1 ZINC000762110412 585426728 /nfs/dbraw/zinc/42/67/28/585426728.db2.gz IGYVIVVTAMATIJ-UHFFFAOYSA-N 0 0 231.295 3.513 20 0 BHADRN CCC(CC)OC(=O)[C@@H](C)C1CCCC1 ZINC000762110419 585426777 /nfs/dbraw/zinc/42/67/77/585426777.db2.gz IVLYYLVIOVERSG-JTQLQIEISA-N 0 0 212.333 3.545 20 0 BHADRN CCC(CC)OC(=O)[C@H](C)C1CCCC1 ZINC000762110421 585426825 /nfs/dbraw/zinc/42/68/25/585426825.db2.gz IVLYYLVIOVERSG-SNVBAGLBSA-N 0 0 212.333 3.545 20 0 BHADRN CCC(CC)OC(=O)[C@@H](C)c1ccccc1F ZINC000762110466 585426857 /nfs/dbraw/zinc/42/68/57/585426857.db2.gz KEKAASXEHKYNFJ-JTQLQIEISA-N 0 0 238.302 3.661 20 0 BHADRN CCC(CC)OC(=O)[C@H](C)c1ccccc1F ZINC000762110470 585426688 /nfs/dbraw/zinc/42/66/88/585426688.db2.gz KEKAASXEHKYNFJ-SNVBAGLBSA-N 0 0 238.302 3.661 20 0 BHADRN CCCCSCCC(=O)OC(CC)CC ZINC000762110658 585426695 /nfs/dbraw/zinc/42/66/95/585426695.db2.gz NNJWJAREKRWPEC-UHFFFAOYSA-N 0 0 232.389 3.642 20 0 BHADRN CCC(CC)OC(=O)c1ccc(Cl)cc1F ZINC000762110941 585427066 /nfs/dbraw/zinc/42/70/66/585427066.db2.gz UIFHYGXWHPAFFK-UHFFFAOYSA-N 0 0 244.693 3.825 20 0 BHADRN CCC(CC)OC(=O)CC1=CCCCC1 ZINC000762111100 585426890 /nfs/dbraw/zinc/42/68/90/585426890.db2.gz RJGOLHXWJGHKMN-UHFFFAOYSA-N 0 0 210.317 3.609 20 0 BHADRN CCC(CC)OC(=O)CCO[C@H](C)CC(C)C ZINC000762111120 585426917 /nfs/dbraw/zinc/42/69/17/585426917.db2.gz SBKKGBYQVBKUBG-GFCCVEGCSA-N 0 0 244.375 3.560 20 0 BHADRN CCC(CC)OC(=O)CCO[C@@H](C)CC(C)C ZINC000762111122 585426972 /nfs/dbraw/zinc/42/69/72/585426972.db2.gz SBKKGBYQVBKUBG-LBPRGKRZSA-N 0 0 244.375 3.560 20 0 BHADRN CCC(CC)OC(=O)c1cnc2ccsc2c1 ZINC000762114815 585426907 /nfs/dbraw/zinc/42/69/07/585426907.db2.gz GMLMYAZAPSMZMJ-UHFFFAOYSA-N 0 0 249.335 3.642 20 0 BHADRN CCC(CC)OC(=O)CCCc1cccs1 ZINC000762114818 585426930 /nfs/dbraw/zinc/42/69/30/585426930.db2.gz GOMBRRSUSHACJI-UHFFFAOYSA-N 0 0 240.368 3.803 20 0 BHADRN CCC(CC)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000762114835 585427077 /nfs/dbraw/zinc/42/70/77/585427077.db2.gz HXVYHQQZXFXRME-JTQLQIEISA-N 0 0 238.302 3.661 20 0 BHADRN CCC(CC)OC(=O)[C@H](C)c1cccc(F)c1 ZINC000762114836 585426986 /nfs/dbraw/zinc/42/69/86/585426986.db2.gz HXVYHQQZXFXRME-SNVBAGLBSA-N 0 0 238.302 3.661 20 0 BHADRN CCC(CC)OC(=O)c1cc2ccccc2[nH]1 ZINC000762115510 585426898 /nfs/dbraw/zinc/42/68/98/585426898.db2.gz LMDMELRZDNQQHG-UHFFFAOYSA-N 0 0 231.295 3.513 20 0 BHADRN CCC(CC)OC(=O)c1cccc(F)c1Cl ZINC000762115539 585426954 /nfs/dbraw/zinc/42/69/54/585426954.db2.gz MMWDLQIGOUABGG-UHFFFAOYSA-N 0 0 244.693 3.825 20 0 BHADRN CCC(CC)OC(=O)c1ccc2[nH]ccc2c1 ZINC000762116258 585426891 /nfs/dbraw/zinc/42/68/91/585426891.db2.gz RDBNXJLWBQCIHY-UHFFFAOYSA-N 0 0 231.295 3.513 20 0 BHADRN CCC(CC)OC(=O)c1cccc(C(F)F)c1 ZINC000762116434 585427085 /nfs/dbraw/zinc/42/70/85/585427085.db2.gz VMVMTBSAEDYJDI-UHFFFAOYSA-N 0 0 242.265 3.970 20 0 BHADRN CCC(CC)OC(=O)CCC(C)(C)C ZINC000762116454 585427144 /nfs/dbraw/zinc/42/71/44/585427144.db2.gz WBVJONNTTAKGLL-UHFFFAOYSA-N 0 0 200.322 3.545 20 0 BHADRN Cc1ccncc1COC(=O)C[C@H](C)CC(C)C ZINC000762116512 585427276 /nfs/dbraw/zinc/42/72/76/585427276.db2.gz LNZIHSQPLWEBHF-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1ccncc1COC(=O)C[C@@H](C)CC(C)C ZINC000762116514 585427183 /nfs/dbraw/zinc/42/71/83/585427183.db2.gz LNZIHSQPLWEBHF-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN CC[C@H](CC(=O)OCc1cnccc1C)C(C)C ZINC000762116535 585427270 /nfs/dbraw/zinc/42/72/70/585427270.db2.gz MKUBLRMBRHPHJR-CYBMUJFWSA-N 0 0 249.354 3.506 20 0 BHADRN CC[C@@H](CC(=O)OCc1cnccc1C)C(C)C ZINC000762116536 641718251 /nfs/dbraw/zinc/71/82/51/641718251.db2.gz MKUBLRMBRHPHJR-ZDUSSCGKSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)OC(=O)c1cc2occc2s1 ZINC000762116601 585427189 /nfs/dbraw/zinc/42/71/89/585427189.db2.gz ZSQNESHCEAAGFS-UHFFFAOYSA-N 0 0 238.308 3.840 20 0 BHADRN CCC(CC)(CC)C(=O)OCc1cnccc1C ZINC000762118721 585427209 /nfs/dbraw/zinc/42/72/09/585427209.db2.gz DSNCEVLHBYZEFN-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN CCCC[C@@H](CC)C(=O)OCc1cnccc1C ZINC000762119146 585427171 /nfs/dbraw/zinc/42/71/71/585427171.db2.gz IUZKJNVZRQZHKQ-CYBMUJFWSA-N 0 0 249.354 3.650 20 0 BHADRN CCCC[C@H](CC)C(=O)OCc1cnccc1C ZINC000762119149 585427162 /nfs/dbraw/zinc/42/71/62/585427162.db2.gz IUZKJNVZRQZHKQ-ZDUSSCGKSA-N 0 0 249.354 3.650 20 0 BHADRN CCCCCC[C@H](C)c1nc(-c2ncc[nH]2)no1 ZINC000762120372 585427241 /nfs/dbraw/zinc/42/72/41/585427241.db2.gz FEZWNSSYFZABPN-JTQLQIEISA-N 0 0 248.330 3.534 20 0 BHADRN CCCCCC[C@@H](C)c1nc(-c2ncc[nH]2)no1 ZINC000762120376 585427084 /nfs/dbraw/zinc/42/70/84/585427084.db2.gz FEZWNSSYFZABPN-SNVBAGLBSA-N 0 0 248.330 3.534 20 0 BHADRN CCCCC[C@H](CC)c1nc(-c2ncc[nH]2)no1 ZINC000762122564 641720095 /nfs/dbraw/zinc/72/00/95/641720095.db2.gz NVFXSYHXDJZUQF-JTQLQIEISA-N 0 0 248.330 3.534 20 0 BHADRN CCCCC[C@@H](CC)c1nc(-c2ncc[nH]2)no1 ZINC000762122567 641719609 /nfs/dbraw/zinc/71/96/09/641719609.db2.gz NVFXSYHXDJZUQF-SNVBAGLBSA-N 0 0 248.330 3.534 20 0 BHADRN Cc1ccncc1COC(=O)C(C)(C)CC(C)C ZINC000762130198 585427287 /nfs/dbraw/zinc/42/72/87/585427287.db2.gz HFWROSRVIIQMPG-UHFFFAOYSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1ccncc1COC(=O)CCCC(C)(C)C ZINC000762132465 585427426 /nfs/dbraw/zinc/42/74/26/585427426.db2.gz VTYJMFHXPMHWOB-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN CS/C=C/c1nc([C@H](C)C(C)(C)C)no1 ZINC000762144475 585427824 /nfs/dbraw/zinc/42/78/24/585427824.db2.gz GRYYSZXHJPRDGI-CZEYKFRCSA-N 0 0 226.345 3.553 20 0 BHADRN CS/C=C/c1nc([C@@H](C)C(C)(C)C)no1 ZINC000762144478 585427753 /nfs/dbraw/zinc/42/77/53/585427753.db2.gz GRYYSZXHJPRDGI-HYDMIIDASA-N 0 0 226.345 3.553 20 0 BHADRN CS/C=C\c1nc([C@@H](C)C(C)(C)C)no1 ZINC000762144482 585427841 /nfs/dbraw/zinc/42/78/41/585427841.db2.gz GRYYSZXHJPRDGI-NFXKFNAJSA-N 0 0 226.345 3.553 20 0 BHADRN CS/C=C\c1nc([C@H](C)C(C)(C)C)no1 ZINC000762144487 585427903 /nfs/dbraw/zinc/42/79/03/585427903.db2.gz GRYYSZXHJPRDGI-UAPHAKCISA-N 0 0 226.345 3.553 20 0 BHADRN C[C@H](Cc1nc([C@@H](C)C(C)(C)C)no1)C1CC1 ZINC000762150852 585428026 /nfs/dbraw/zinc/42/80/26/585428026.db2.gz YHRQPMVHFMHSSA-NXEZZACHSA-N 0 0 236.359 3.808 20 0 BHADRN C[C@@H](c1noc(C[C@H](C)C2CC2)n1)C(C)(C)C ZINC000762150854 585428065 /nfs/dbraw/zinc/42/80/65/585428065.db2.gz YHRQPMVHFMHSSA-UWVGGRQHSA-N 0 0 236.359 3.808 20 0 BHADRN C[C@@H](Cc1nc([C@@H](C)C(C)(C)C)no1)C1CC1 ZINC000762150856 585428027 /nfs/dbraw/zinc/42/80/27/585428027.db2.gz YHRQPMVHFMHSSA-VHSXEESVSA-N 0 0 236.359 3.808 20 0 BHADRN C[C@H](Cc1nc([C@H](C)C(C)(C)C)no1)C1CC1 ZINC000762150857 585427998 /nfs/dbraw/zinc/42/79/98/585427998.db2.gz YHRQPMVHFMHSSA-ZJUUUORDSA-N 0 0 236.359 3.808 20 0 BHADRN CCC/C=C/C(=O)Oc1ccc(CC)cc1OC ZINC000762194965 585428755 /nfs/dbraw/zinc/42/87/55/585428755.db2.gz FEHGIKUDMWTPCL-BQYQJAHWSA-N 0 0 248.322 3.519 20 0 BHADRN CCC/C=C\C(=O)Oc1ccc(CC)cc1OC ZINC000762194972 585428857 /nfs/dbraw/zinc/42/88/57/585428857.db2.gz FEHGIKUDMWTPCL-FPLPWBNLSA-N 0 0 248.322 3.519 20 0 BHADRN CC(C)CCCOc1ccc(C(C)(C)O)cc1 ZINC000762211417 585429138 /nfs/dbraw/zinc/42/91/38/585429138.db2.gz GJRLWYGSPAPGFH-UHFFFAOYSA-N 0 0 236.355 3.729 20 0 BHADRN CCCCCCc1nc([C@@H]2CCCS2)no1 ZINC000762229829 585429478 /nfs/dbraw/zinc/42/94/78/585429478.db2.gz AVPDGMILTHGYBV-JTQLQIEISA-N 0 0 240.372 3.761 20 0 BHADRN CCCCCCc1nc([C@H]2CCCS2)no1 ZINC000762229830 585429605 /nfs/dbraw/zinc/42/96/05/585429605.db2.gz AVPDGMILTHGYBV-SNVBAGLBSA-N 0 0 240.372 3.761 20 0 BHADRN C/C=C/C(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000762239955 585429561 /nfs/dbraw/zinc/42/95/61/585429561.db2.gz CMMFRUPYPLHXDQ-CSPWOOARSA-N 0 0 243.350 3.543 20 0 BHADRN C/C=C/C(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000762239956 585429607 /nfs/dbraw/zinc/42/96/07/585429607.db2.gz CMMFRUPYPLHXDQ-DRDHIDPGSA-N 0 0 243.350 3.543 20 0 BHADRN C/C=C\C(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000762239957 585429591 /nfs/dbraw/zinc/42/95/91/585429591.db2.gz CMMFRUPYPLHXDQ-VOKGJARPSA-N 0 0 243.350 3.543 20 0 BHADRN C/C=C\C(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000762239958 585429584 /nfs/dbraw/zinc/42/95/84/585429584.db2.gz CMMFRUPYPLHXDQ-ZDTYVGOBSA-N 0 0 243.350 3.543 20 0 BHADRN CC(C)CN(CC(C)(C)C)C(=O)C=C1CCC1 ZINC000762251870 585429901 /nfs/dbraw/zinc/42/99/01/585429901.db2.gz QRUGSBGZLBTVKE-UHFFFAOYSA-N 0 0 237.387 3.627 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(/C=C\c2ccccc2F)n1 ZINC000762252374 585429960 /nfs/dbraw/zinc/42/99/60/585429960.db2.gz IWRZQCLEERIHCY-BCVXMLFPSA-N 0 0 244.269 3.503 20 0 BHADRN C[C@@H]1C[C@H]1c1noc(/C=C/c2ccccc2F)n1 ZINC000762252376 585429973 /nfs/dbraw/zinc/42/99/73/585429973.db2.gz IWRZQCLEERIHCY-CJDYZKGVSA-N 0 0 244.269 3.503 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(/C=C\c2ccccc2F)n1 ZINC000762252377 584913600 /nfs/dbraw/zinc/91/36/00/584913600.db2.gz IWRZQCLEERIHCY-FCMDYUIFSA-N 0 0 244.269 3.503 20 0 BHADRN C[C@@H]1C[C@@H]1c1noc(/C=C/c2ccccc2F)n1 ZINC000762252380 584913604 /nfs/dbraw/zinc/91/36/04/584913604.db2.gz IWRZQCLEERIHCY-KUCBXDRKSA-N 0 0 244.269 3.503 20 0 BHADRN C/C=C/C=C\C(=O)N(CC(C)C)CC(C)(C)C ZINC000762253067 585430026 /nfs/dbraw/zinc/43/00/26/585430026.db2.gz VPWXPYQZEYKEML-GOJKSUSPSA-N 0 0 237.387 3.649 20 0 BHADRN C/C=C/C=C/C(=O)N(CC(C)C)CC(C)(C)C ZINC000762253070 585429951 /nfs/dbraw/zinc/42/99/51/585429951.db2.gz VPWXPYQZEYKEML-XBLVEGMJSA-N 0 0 237.387 3.649 20 0 BHADRN CCCCCC[C@H](C)c1nc(-c2ccon2)no1 ZINC000762327208 585430761 /nfs/dbraw/zinc/43/07/61/585430761.db2.gz MSNCMEJOQCTUBL-JTQLQIEISA-N 0 0 249.314 3.799 20 0 BHADRN CCCCCC[C@@H](C)c1nc(-c2ccon2)no1 ZINC000762327210 585430841 /nfs/dbraw/zinc/43/08/41/585430841.db2.gz MSNCMEJOQCTUBL-SNVBAGLBSA-N 0 0 249.314 3.799 20 0 BHADRN CCCCCC(C)(C)c1nc(-c2ccon2)no1 ZINC000762327702 585430977 /nfs/dbraw/zinc/43/09/77/585430977.db2.gz PGFAXRHCUSIOHK-UHFFFAOYSA-N 0 0 249.314 3.583 20 0 BHADRN CCCCC[C@H](CC)c1nc(-c2ccon2)no1 ZINC000762328465 585430620 /nfs/dbraw/zinc/43/06/20/585430620.db2.gz WSBMKAASCHTQJD-JTQLQIEISA-N 0 0 249.314 3.799 20 0 BHADRN CCCCC[C@@H](CC)c1nc(-c2ccon2)no1 ZINC000762328466 585430560 /nfs/dbraw/zinc/43/05/60/585430560.db2.gz WSBMKAASCHTQJD-SNVBAGLBSA-N 0 0 249.314 3.799 20 0 BHADRN CCCCCCc1nc(CCc2ccco2)no1 ZINC000762333390 585430963 /nfs/dbraw/zinc/43/09/63/585430963.db2.gz YUSAISFHLPKKOD-UHFFFAOYSA-N 0 0 248.326 3.571 20 0 BHADRN C(c1nc(C2CCCCCCC2)no1)C1CC1 ZINC000762356755 585431206 /nfs/dbraw/zinc/43/12/06/585431206.db2.gz HNIGRJNBBDIOLQ-UHFFFAOYSA-N 0 0 234.343 3.850 20 0 BHADRN C1=C(c2nc(C3CCCCCCC3)no2)CCO1 ZINC000762357632 585431500 /nfs/dbraw/zinc/43/15/00/585431500.db2.gz MOISDKBRDZFPEX-UHFFFAOYSA-N 0 0 248.326 3.659 20 0 BHADRN CCCc1nc(C2CCCCCCC2)no1 ZINC000762358264 585431475 /nfs/dbraw/zinc/43/14/75/585431475.db2.gz NVXPKQGBADNXBH-UHFFFAOYSA-N 0 0 222.332 3.850 20 0 BHADRN CSCc1nc(C2CCCCCCC2)no1 ZINC000762358338 585431430 /nfs/dbraw/zinc/43/14/30/585431430.db2.gz QKBYPRSDNSSYFH-UHFFFAOYSA-N 0 0 240.372 3.761 20 0 BHADRN CC1(c2nc(C3CCCCCCC3)no2)CC1 ZINC000762361107 585431408 /nfs/dbraw/zinc/43/14/08/585431408.db2.gz FHDAZOHMVRZCKS-UHFFFAOYSA-N 0 0 234.343 3.949 20 0 BHADRN CCCCSCc1nc([C@H](C)C2CC2)no1 ZINC000762362549 585431153 /nfs/dbraw/zinc/43/11/53/585431153.db2.gz CJVXWUVUAZEHRD-SECBINFHSA-N 0 0 240.372 3.616 20 0 BHADRN CCCCSCc1nc([C@@H](C)C2CC2)no1 ZINC000762362551 585431233 /nfs/dbraw/zinc/43/12/33/585431233.db2.gz CJVXWUVUAZEHRD-VIFPVBQESA-N 0 0 240.372 3.616 20 0 BHADRN CCc1ccc(-c2nc([C@H](C)C3CC3)no2)s1 ZINC000762363220 585431339 /nfs/dbraw/zinc/43/13/39/585431339.db2.gz HMFMHDDFZMMJCF-MRVPVSSYSA-N 0 0 248.351 3.874 20 0 BHADRN CCc1ccc(-c2nc([C@@H](C)C3CC3)no2)s1 ZINC000762363222 585431393 /nfs/dbraw/zinc/43/13/93/585431393.db2.gz HMFMHDDFZMMJCF-QMMMGPOBSA-N 0 0 248.351 3.874 20 0 BHADRN Cc1ccc([C@@H](C)c2nc([C@H](C)C3CC3)no2)o1 ZINC000762363803 585431467 /nfs/dbraw/zinc/43/14/67/585431467.db2.gz IMAKSWABCPJIAD-NXEZZACHSA-N 0 0 246.310 3.636 20 0 BHADRN Cc1ccc([C@H](C)c2nc([C@@H](C)C3CC3)no2)o1 ZINC000762363804 585431354 /nfs/dbraw/zinc/43/13/54/585431354.db2.gz IMAKSWABCPJIAD-UWVGGRQHSA-N 0 0 246.310 3.636 20 0 BHADRN Cc1ccc([C@@H](C)c2nc([C@@H](C)C3CC3)no2)o1 ZINC000762363807 585431283 /nfs/dbraw/zinc/43/12/83/585431283.db2.gz IMAKSWABCPJIAD-VHSXEESVSA-N 0 0 246.310 3.636 20 0 BHADRN Cc1ccc([C@H](C)c2nc([C@H](C)C3CC3)no2)o1 ZINC000762363810 585431481 /nfs/dbraw/zinc/43/14/81/585431481.db2.gz IMAKSWABCPJIAD-ZJUUUORDSA-N 0 0 246.310 3.636 20 0 BHADRN C[C@@H](c1noc(CSC(C)(C)C)n1)C1CC1 ZINC000762365812 585431485 /nfs/dbraw/zinc/43/14/85/585431485.db2.gz VIWVWMQAIDOCQB-MRVPVSSYSA-N 0 0 240.372 3.615 20 0 BHADRN C[C@H](c1noc(CSC(C)(C)C)n1)C1CC1 ZINC000762365813 585431353 /nfs/dbraw/zinc/43/13/53/585431353.db2.gz VIWVWMQAIDOCQB-QMMMGPOBSA-N 0 0 240.372 3.615 20 0 BHADRN CCCCCCc1nc([C@@H](C)C2CC2)no1 ZINC000762366288 585431263 /nfs/dbraw/zinc/43/12/63/585431263.db2.gz ZXJZFRSRSLSIQJ-JTQLQIEISA-N 0 0 222.332 3.706 20 0 BHADRN CCCCCCc1nc([C@H](C)C2CC2)no1 ZINC000762366292 585431291 /nfs/dbraw/zinc/43/12/91/585431291.db2.gz ZXJZFRSRSLSIQJ-SNVBAGLBSA-N 0 0 222.332 3.706 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cc(C)ccc1Cl ZINC000762403464 585431848 /nfs/dbraw/zinc/43/18/48/585431848.db2.gz ZJROJGOVBBGTGK-UHFFFAOYSA-N 0 0 237.730 3.943 20 0 BHADRN CC(C)=C(C)C(=O)N(CC(C)C)CC(C)(C)C ZINC000762405872 585431729 /nfs/dbraw/zinc/43/17/29/585431729.db2.gz QXFYBHGLFOOLDA-UHFFFAOYSA-N 0 0 239.403 3.873 20 0 BHADRN CSCCSCc1cc(C)ccc1C ZINC000762421810 585431897 /nfs/dbraw/zinc/43/18/97/585431897.db2.gz QJRNQBOCPBCXCR-UHFFFAOYSA-N 0 0 226.410 3.900 20 0 BHADRN Clc1ccc(CSC[C@@H]2CCOC2)s1 ZINC000762442366 585432362 /nfs/dbraw/zinc/43/23/62/585432362.db2.gz AUDKDHGAAMTQRL-MRVPVSSYSA-N 0 0 248.800 3.671 20 0 BHADRN Clc1ccc(CSC[C@H]2CCOC2)s1 ZINC000762442378 585432424 /nfs/dbraw/zinc/43/24/24/585432424.db2.gz AUDKDHGAAMTQRL-QMMMGPOBSA-N 0 0 248.800 3.671 20 0 BHADRN CCC(CC)SCc1ccnc(N(C)C)c1 ZINC000762475243 585432773 /nfs/dbraw/zinc/43/27/73/585432773.db2.gz NIHRRADLIBDNHY-UHFFFAOYSA-N 0 0 238.400 3.569 20 0 BHADRN CCCCCSCc1ccnc(N(C)C)c1 ZINC000762478161 585432856 /nfs/dbraw/zinc/43/28/56/585432856.db2.gz SWVAZOZOLLHACN-UHFFFAOYSA-N 0 0 238.400 3.571 20 0 BHADRN CCSCCSCCCc1ccncc1 ZINC000762478162 585432729 /nfs/dbraw/zinc/43/27/29/585432729.db2.gz SWZYOLNAZHAJQI-UHFFFAOYSA-N 0 0 241.425 3.501 20 0 BHADRN C/C=C(/C)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000762515402 585433708 /nfs/dbraw/zinc/43/37/08/585433708.db2.gz OGAKRDPUNRGCTJ-BTLPXRKTSA-N 0 0 243.350 3.706 20 0 BHADRN C/C=C(/C)C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000762515403 585433544 /nfs/dbraw/zinc/43/35/44/585433544.db2.gz OGAKRDPUNRGCTJ-NKHYGLGHSA-N 0 0 243.350 3.706 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000762530007 585433675 /nfs/dbraw/zinc/43/36/75/585433675.db2.gz BNVMHODPQQGXCR-KLDSGFLGSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000762530009 585433575 /nfs/dbraw/zinc/43/35/75/585433575.db2.gz BNVMHODPQQGXCR-NPRUJURCSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000762530010 585433561 /nfs/dbraw/zinc/43/35/61/585433561.db2.gz BNVMHODPQQGXCR-OWRWYXLESA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000762530012 585433609 /nfs/dbraw/zinc/43/36/09/585433609.db2.gz BNVMHODPQQGXCR-RVROTUBLSA-N 0 0 235.371 3.524 20 0 BHADRN CCC1(CNC(=O)C(C)=C(C)C)CCCCC1 ZINC000762531972 585433621 /nfs/dbraw/zinc/43/36/21/585433621.db2.gz XGMDUFGFIFUNCV-UHFFFAOYSA-N 0 0 237.387 3.819 20 0 BHADRN CC(C(=O)N1CC2(CCC2)C[C@H]1C)=C1CCCC1 ZINC000762532633 585433577 /nfs/dbraw/zinc/43/35/77/585433577.db2.gz OFNSGKWLSBOWMZ-GFCCVEGCSA-N 0 0 247.382 3.668 20 0 BHADRN CC(C(=O)N1CC2(CCC2)C[C@@H]1C)=C1CCCC1 ZINC000762532635 585433713 /nfs/dbraw/zinc/43/37/13/585433713.db2.gz OFNSGKWLSBOWMZ-LBPRGKRZSA-N 0 0 247.382 3.668 20 0 BHADRN CCC1(CNC(=O)C=C2CCC2)CCCCC1 ZINC000762533804 585433549 /nfs/dbraw/zinc/43/35/49/585433549.db2.gz IGWNQKGYXHPMJY-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN CCC(=CC(=O)N1CC2(CCC2)C[C@H]1C)CC ZINC000762534085 585433574 /nfs/dbraw/zinc/43/35/74/585433574.db2.gz YGVKZDARJSJPAL-GFCCVEGCSA-N 0 0 235.371 3.524 20 0 BHADRN CCC(=CC(=O)N1CC2(CCC2)C[C@@H]1C)CC ZINC000762534086 585433645 /nfs/dbraw/zinc/43/36/45/585433645.db2.gz YGVKZDARJSJPAL-LBPRGKRZSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)N2CC3(CCC3)C[C@@H]2C)C1 ZINC000762534267 585433666 /nfs/dbraw/zinc/43/36/66/585433666.db2.gz AYJLSSSOZPPYLE-JLLHCWJZSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)N2CC3(CCC3)C[C@H]2C)C1 ZINC000762534268 585433653 /nfs/dbraw/zinc/43/36/53/585433653.db2.gz AYJLSSSOZPPYLE-OVAFBMODSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)N2CC3(CCC3)C[C@H]2C)C1 ZINC000762534269 585433563 /nfs/dbraw/zinc/43/35/63/585433563.db2.gz AYJLSSSOZPPYLE-YFPJMFCJSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)N2CC3(CCC3)C[C@@H]2C)C1 ZINC000762534270 585433603 /nfs/dbraw/zinc/43/36/03/585433603.db2.gz AYJLSSSOZPPYLE-ZZHYBKPNSA-N 0 0 247.382 3.524 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000762534653 585433704 /nfs/dbraw/zinc/43/37/04/585433704.db2.gz CNEJAJVIBUQRBF-CNELAYHGSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000762534654 585433599 /nfs/dbraw/zinc/43/35/99/585433599.db2.gz CNEJAJVIBUQRBF-KIWPFMIBSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000762534655 585433671 /nfs/dbraw/zinc/43/36/71/585433671.db2.gz CNEJAJVIBUQRBF-SRXBQZRASA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000762534656 585433600 /nfs/dbraw/zinc/43/36/00/585433600.db2.gz CNEJAJVIBUQRBF-SUIFULHWSA-N 0 0 249.398 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N1CC2(CCC2)C[C@H]1C ZINC000762535014 585433535 /nfs/dbraw/zinc/43/35/35/585433535.db2.gz HRHNOLWAXXCTPL-CNELAYHGSA-N 0 0 235.371 3.524 20 0 BHADRN CCC/C(C)=C\C(=O)N1CC2(CCC2)C[C@H]1C ZINC000762535015 585433940 /nfs/dbraw/zinc/43/39/40/585433940.db2.gz HRHNOLWAXXCTPL-KIWPFMIBSA-N 0 0 235.371 3.524 20 0 BHADRN CCC/C(C)=C/C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000762535016 585433785 /nfs/dbraw/zinc/43/37/85/585433785.db2.gz HRHNOLWAXXCTPL-SRXBQZRASA-N 0 0 235.371 3.524 20 0 BHADRN CCC/C(C)=C\C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000762535017 585433827 /nfs/dbraw/zinc/43/38/27/585433827.db2.gz HRHNOLWAXXCTPL-SUIFULHWSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(/C=C/C(=O)N1CC2(CCC2)C[C@H]1C)CC ZINC000762537171 585433808 /nfs/dbraw/zinc/43/38/08/585433808.db2.gz MGHUDXKFYOUZCH-AGJOYXBXSA-N 0 0 247.382 3.690 20 0 BHADRN C/C=C(/C=C/C(=O)N1CC2(CCC2)C[C@@H]1C)CC ZINC000762537182 585433837 /nfs/dbraw/zinc/43/38/37/585433837.db2.gz MGHUDXKFYOUZCH-NEUQNVDQSA-N 0 0 247.382 3.690 20 0 BHADRN C/C=C(/C=C\C(=O)N1CC2(CCC2)C[C@@H]1C)CC ZINC000762537185 585433829 /nfs/dbraw/zinc/43/38/29/585433829.db2.gz MGHUDXKFYOUZCH-PQHZMSAVSA-N 0 0 247.382 3.690 20 0 BHADRN C/C=C(/C=C\C(=O)N1CC2(CCC2)C[C@H]1C)CC ZINC000762537187 585433778 /nfs/dbraw/zinc/43/37/78/585433778.db2.gz MGHUDXKFYOUZCH-ZKUPUAJJSA-N 0 0 247.382 3.690 20 0 BHADRN CCC1(CNC(=O)/C=C(\C)C2CC2)CCCCC1 ZINC000762537326 585433826 /nfs/dbraw/zinc/43/38/26/585433826.db2.gz OKOUMDJEZSTIIH-ACCUITESSA-N 0 0 249.398 3.819 20 0 BHADRN CCC1(CNC(=O)/C=C(/C)C2CC2)CCCCC1 ZINC000762537328 585433842 /nfs/dbraw/zinc/43/38/42/585433842.db2.gz OKOUMDJEZSTIIH-QBFSEMIESA-N 0 0 249.398 3.819 20 0 BHADRN CC/C=C(/C)C(=O)NCC1(CC)CCCCC1 ZINC000762537421 585433859 /nfs/dbraw/zinc/43/38/59/585433859.db2.gz PTHUUFGXNCQJJQ-LCYFTJDESA-N 0 0 237.387 3.819 20 0 BHADRN CC/C=C(\C)C(=O)NCC1(CC)CCCCC1 ZINC000762537423 585433805 /nfs/dbraw/zinc/43/38/05/585433805.db2.gz PTHUUFGXNCQJJQ-UKTHLTGXSA-N 0 0 237.387 3.819 20 0 BHADRN C[C@@H]1CC2(CCC2)CN1C(=O)C=C1CCCCC1 ZINC000762538519 585433806 /nfs/dbraw/zinc/43/38/06/585433806.db2.gz PCORVTCQXFNZNE-CYBMUJFWSA-N 0 0 247.382 3.668 20 0 BHADRN C[C@H]1CC2(CCC2)CN1C(=O)C=C1CCCCC1 ZINC000762538524 585433944 /nfs/dbraw/zinc/43/39/44/585433944.db2.gz PCORVTCQXFNZNE-ZDUSSCGKSA-N 0 0 247.382 3.668 20 0 BHADRN C/C=C/C=C\C(=O)NCC1(CC)CCCCC1 ZINC000762538528 585433896 /nfs/dbraw/zinc/43/38/96/585433896.db2.gz YWUQSIORJFGRFJ-JEFLAVHQSA-N 0 0 235.371 3.595 20 0 BHADRN C/C=C/C=C/C(=O)NCC1(CC)CCCCC1 ZINC000762538531 585433769 /nfs/dbraw/zinc/43/37/69/585433769.db2.gz YWUQSIORJFGRFJ-RVAGFXNCSA-N 0 0 235.371 3.595 20 0 BHADRN C/C(=C\C(=O)N1CC2(CCC2)C[C@H]1C)C(C)(C)C ZINC000762539902 585433822 /nfs/dbraw/zinc/43/38/22/585433822.db2.gz SROYWJKBTZQEND-CNELAYHGSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(=O)N1CC2(CCC2)C[C@H]1C)C(C)(C)C ZINC000762539904 585433937 /nfs/dbraw/zinc/43/39/37/585433937.db2.gz SROYWJKBTZQEND-KIWPFMIBSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(=O)N1CC2(CCC2)C[C@@H]1C)C(C)(C)C ZINC000762539906 585433917 /nfs/dbraw/zinc/43/39/17/585433917.db2.gz SROYWJKBTZQEND-SRXBQZRASA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(=O)N1CC2(CCC2)C[C@@H]1C)C(C)(C)C ZINC000762539910 585433935 /nfs/dbraw/zinc/43/39/35/585433935.db2.gz SROYWJKBTZQEND-SUIFULHWSA-N 0 0 249.398 3.770 20 0 BHADRN COC(=O)N(CC(C)C)c1ccc(Cl)cc1 ZINC000762545014 585433924 /nfs/dbraw/zinc/43/39/24/585433924.db2.gz HEIDGQQAECNIIX-UHFFFAOYSA-N 0 0 241.718 3.569 20 0 BHADRN CCC/C=C/C(=O)Nc1cc(C)ccc1Cl ZINC000762555056 585433915 /nfs/dbraw/zinc/43/39/15/585433915.db2.gz LAPQVXJHSTXFOE-AATRIKPKSA-N 0 0 237.730 3.943 20 0 BHADRN CCC/C=C\C(=O)Nc1cc(C)ccc1Cl ZINC000762555059 585433782 /nfs/dbraw/zinc/43/37/82/585433782.db2.gz LAPQVXJHSTXFOE-WAYWQWQTSA-N 0 0 237.730 3.943 20 0 BHADRN CC(C)(C)c1noc(-c2cc(Cl)cs2)n1 ZINC000762559616 585433844 /nfs/dbraw/zinc/43/38/44/585433844.db2.gz ATADNSMVEUHPFF-UHFFFAOYSA-N 0 0 242.731 3.749 20 0 BHADRN CC(C)Cc1noc(-c2cc(Cl)cs2)n1 ZINC000762566260 585434219 /nfs/dbraw/zinc/43/42/19/585434219.db2.gz ZRCYOBDRBFWWGN-UHFFFAOYSA-N 0 0 242.731 3.650 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC000762590836 585434256 /nfs/dbraw/zinc/43/42/56/585434256.db2.gz BIYRBPDOSWRZTD-LLVKDONJSA-N 0 0 241.350 3.869 20 0 BHADRN CCCCC[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC000762590837 585434338 /nfs/dbraw/zinc/43/43/38/585434338.db2.gz BIYRBPDOSWRZTD-NSHDSACASA-N 0 0 241.350 3.869 20 0 BHADRN O=C(Nc1cccc(F)c1)C(F)=C1CCCC1 ZINC000762590858 585434244 /nfs/dbraw/zinc/43/42/44/585434244.db2.gz CCQKWSZYVALTAS-UHFFFAOYSA-N 0 0 237.249 3.562 20 0 BHADRN CN(C(=O)C(F)=C1CCCC1)C1CCCCC1 ZINC000762591263 585434427 /nfs/dbraw/zinc/43/44/27/585434427.db2.gz CZPXZVOJVKYRKG-UHFFFAOYSA-N 0 0 239.334 3.575 20 0 BHADRN CCc1ccccc1NC(=O)C(F)=C1CCCC1 ZINC000762592149 585434405 /nfs/dbraw/zinc/43/44/05/585434405.db2.gz IRCJAUKXVHNQAB-UHFFFAOYSA-N 0 0 247.313 3.985 20 0 BHADRN Cc1cccc(NC(=O)C(F)=C2CCCC2)c1 ZINC000762592290 585434271 /nfs/dbraw/zinc/43/42/71/585434271.db2.gz HFKGZWPXVBZJDH-UHFFFAOYSA-N 0 0 233.286 3.731 20 0 BHADRN Cc1ccc(NC(=O)C(F)=C2CCCC2)cc1 ZINC000762593151 585434426 /nfs/dbraw/zinc/43/44/26/585434426.db2.gz IZOOOMDNJPUOPU-UHFFFAOYSA-N 0 0 233.286 3.731 20 0 BHADRN O=C(Nc1ccc(F)cc1)C(F)=C1CCCC1 ZINC000762593806 585434363 /nfs/dbraw/zinc/43/43/63/585434363.db2.gz OJPJBNZJZMIWEW-UHFFFAOYSA-N 0 0 237.249 3.562 20 0 BHADRN O=C(NC1CCCCCC1)C(F)=C1CCCC1 ZINC000762594044 585434233 /nfs/dbraw/zinc/43/42/33/585434233.db2.gz LXMMTBJSTZSTBA-UHFFFAOYSA-N 0 0 239.334 3.623 20 0 BHADRN Cc1ccccc1NC(=O)C(F)=C1CCCC1 ZINC000762594316 585434418 /nfs/dbraw/zinc/43/44/18/585434418.db2.gz QNTSEMBXPBYPBW-UHFFFAOYSA-N 0 0 233.286 3.731 20 0 BHADRN C[C@@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC000762594322 585434369 /nfs/dbraw/zinc/43/43/69/585434369.db2.gz QPYFHBQRQUYVKQ-LLVKDONJSA-N 0 0 247.313 3.661 20 0 BHADRN C[C@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 ZINC000762594324 585434314 /nfs/dbraw/zinc/43/43/14/585434314.db2.gz QPYFHBQRQUYVKQ-NSHDSACASA-N 0 0 247.313 3.661 20 0 BHADRN CC(C)CC[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC000762594577 585434290 /nfs/dbraw/zinc/43/42/90/585434290.db2.gz SHQLKYWPNJPVCI-LLVKDONJSA-N 0 0 241.350 3.725 20 0 BHADRN CC(C)CC[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC000762594578 585434237 /nfs/dbraw/zinc/43/42/37/585434237.db2.gz SHQLKYWPNJPVCI-NSHDSACASA-N 0 0 241.350 3.725 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)C(F)=C1CCCC1 ZINC000762595125 585434234 /nfs/dbraw/zinc/43/42/34/585434234.db2.gz ZIRMMWXSBLNYDQ-GFCCVEGCSA-N 0 0 239.334 3.575 20 0 BHADRN CC[C@H]1CCCCN1C(=O)C(F)=C1CCCC1 ZINC000762595127 585434239 /nfs/dbraw/zinc/43/42/39/585434239.db2.gz ZIRMMWXSBLNYDQ-LBPRGKRZSA-N 0 0 239.334 3.575 20 0 BHADRN Clc1ccc(NCc2coc(C3CC3)n2)cc1 ZINC000762599571 585434421 /nfs/dbraw/zinc/43/44/21/585434421.db2.gz SWEQZVPAVGNJCI-UHFFFAOYSA-N 0 0 248.713 3.818 20 0 BHADRN CC(C)c1noc(-c2cc(Cl)cs2)n1 ZINC000762611383 585434484 /nfs/dbraw/zinc/43/44/84/585434484.db2.gz YPSFXQBDLXMMHO-UHFFFAOYSA-N 0 0 228.704 3.575 20 0 BHADRN CC(=O)CCCCSc1nc(C)c(C)s1 ZINC000762628680 585434515 /nfs/dbraw/zinc/43/45/15/585434515.db2.gz MWHAKKFDRYXXSH-UHFFFAOYSA-N 0 0 243.397 3.611 20 0 BHADRN Cc1cc(C)c(NC(=O)/C=C\C(C)(C)C)cc1O ZINC000762685545 585435156 /nfs/dbraw/zinc/43/51/56/585435156.db2.gz AWJBSDRUMOGGEC-SREVYHEPSA-N 0 0 247.338 3.550 20 0 BHADRN Cc1cc(C)c(NC(=O)/C=C/C(C)(C)C)cc1O ZINC000762685549 585435140 /nfs/dbraw/zinc/43/51/40/585435140.db2.gz AWJBSDRUMOGGEC-VOTSOKGWSA-N 0 0 247.338 3.550 20 0 BHADRN CCC(=CC(=O)Nc1cc(O)c(C)cc1C)CC ZINC000762696116 585435237 /nfs/dbraw/zinc/43/52/37/585435237.db2.gz VHQIYXKVOFXOEE-UHFFFAOYSA-N 0 0 247.338 3.694 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cc(O)c(C)cc1C ZINC000762699866 585435231 /nfs/dbraw/zinc/43/52/31/585435231.db2.gz UZLZCEUXYHDGTO-JXMROGBWSA-N 0 0 247.338 3.694 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cc(O)c(C)cc1C ZINC000762699868 585435348 /nfs/dbraw/zinc/43/53/48/585435348.db2.gz UZLZCEUXYHDGTO-YFHOEESVSA-N 0 0 247.338 3.694 20 0 BHADRN CCCCCCC(=O)Nc1cc(O)c(C)cc1C ZINC000762700511 585435305 /nfs/dbraw/zinc/43/53/05/585435305.db2.gz JMYGWFQPVDMSJH-UHFFFAOYSA-N 0 0 249.354 3.918 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cc(O)c(C)cc1C ZINC000762700513 585435310 /nfs/dbraw/zinc/43/53/10/585435310.db2.gz JQHJUFUVEYXKLV-FMIVXFBMSA-N 0 0 247.338 3.694 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cc(O)c(C)cc1C ZINC000762700514 585435391 /nfs/dbraw/zinc/43/53/91/585435391.db2.gz JQHJUFUVEYXKLV-XFXZXTDPSA-N 0 0 247.338 3.694 20 0 BHADRN C/C(=C/C(=O)Nc1ccc(C)cc1O)C(C)(C)C ZINC000762786437 585437205 /nfs/dbraw/zinc/43/72/05/585437205.db2.gz FWGOCGVQLYQNPM-LUAWRHEFSA-N 0 0 247.338 3.632 20 0 BHADRN C/C(=C/C(=O)Nc1ccc(O)cc1C)C(C)(C)C ZINC000762815366 585437812 /nfs/dbraw/zinc/43/78/12/585437812.db2.gz ZAPIOBLVIDSGIG-LUAWRHEFSA-N 0 0 247.338 3.632 20 0 BHADRN Cc1cccc(NC(=O)C=C2CCCCC2)c1O ZINC000762818038 585437817 /nfs/dbraw/zinc/43/78/17/585437817.db2.gz KWZCHTXHCHBLTE-UHFFFAOYSA-N 0 0 245.322 3.530 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cc(CC)ccc1O ZINC000762818566 585437759 /nfs/dbraw/zinc/43/77/59/585437759.db2.gz NCGHBABXDMOLNO-LUAWRHEFSA-N 0 0 247.338 3.640 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cc(CC)ccc1O ZINC000762818567 585437734 /nfs/dbraw/zinc/43/77/34/585437734.db2.gz NCGHBABXDMOLNO-PKNBQFBNSA-N 0 0 247.338 3.640 20 0 BHADRN C/C(=C\C(=O)Nc1cccc(C)c1O)C(C)(C)C ZINC000762819259 585437909 /nfs/dbraw/zinc/43/79/09/585437909.db2.gz QVJYKNVSZBIHAZ-PKNBQFBNSA-N 0 0 247.338 3.632 20 0 BHADRN CC(=O)CCCCOC(=O)CCCC(C)(C)C ZINC000762877825 585438894 /nfs/dbraw/zinc/43/88/94/585438894.db2.gz JLEBKFLMINLHIS-UHFFFAOYSA-N 0 0 242.359 3.505 20 0 BHADRN CCC(CC)(CC)C(=O)OCCCCC(C)=O ZINC000762918740 585439440 /nfs/dbraw/zinc/43/94/40/585439440.db2.gz 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230.764 3.657 20 0 BHADRN CCC(CC)(CC)Sc1ncc(F)cn1 ZINC000763029218 585441808 /nfs/dbraw/zinc/44/18/08/585441808.db2.gz WKKZIDKLWSZJEW-UHFFFAOYSA-N 0 0 228.336 3.677 20 0 BHADRN Cc1nc(Cl)cc(SC(C)(C)C(C)C)n1 ZINC000763029222 585441994 /nfs/dbraw/zinc/44/19/94/585441994.db2.gz WNRQEZHNEDOPIZ-UHFFFAOYSA-N 0 0 244.791 3.965 20 0 BHADRN CCC(CC)(CC)Sc1nnc(C)c(C)n1 ZINC000763029388 585441855 /nfs/dbraw/zinc/44/18/55/585441855.db2.gz XQORRSVQEKOULW-UHFFFAOYSA-N 0 0 239.388 3.549 20 0 BHADRN CCc1nsc(SC(C)(C)C(C)C)n1 ZINC000763029404 585441669 /nfs/dbraw/zinc/44/16/69/585441669.db2.gz YIQFPYXZTWJZHU-UHFFFAOYSA-N 0 0 230.402 3.627 20 0 BHADRN CC1(NC(=O)C(F)=C2CCCC2)CCCCC1 ZINC000763031560 585441924 /nfs/dbraw/zinc/44/19/24/585441924.db2.gz WEPDKHPXDDMBBD-UHFFFAOYSA-N 0 0 239.334 3.623 20 0 BHADRN C[C@H]1CC2(CCC2)CN1c1ccnc(Cl)c1 ZINC000763036684 585441825 /nfs/dbraw/zinc/44/18/25/585441825.db2.gz OTJTVFIUXAZYRV-JTQLQIEISA-N 0 0 236.746 3.504 20 0 BHADRN C[C@@H]1CC2(CCC2)CN1c1ccnc(Cl)c1 ZINC000763036686 585441819 /nfs/dbraw/zinc/44/18/19/585441819.db2.gz OTJTVFIUXAZYRV-SNVBAGLBSA-N 0 0 236.746 3.504 20 0 BHADRN C[C@@H](CNC(=O)C(F)=C1CCCC1)C(C)(C)C ZINC000763048797 585442459 /nfs/dbraw/zinc/44/24/59/585442459.db2.gz PQASZZVDOJJROE-JTQLQIEISA-N 0 0 241.350 3.582 20 0 BHADRN C[C@H](CNC(=O)C(F)=C1CCCC1)C(C)(C)C ZINC000763048799 585442371 /nfs/dbraw/zinc/44/23/71/585442371.db2.gz PQASZZVDOJJROE-SNVBAGLBSA-N 0 0 241.350 3.582 20 0 BHADRN C[C@@H]1CCCCCN1C(=O)C(F)=C1CCCC1 ZINC000763050815 585442362 /nfs/dbraw/zinc/44/23/62/585442362.db2.gz VRYVYPUJODZFCJ-LLVKDONJSA-N 0 0 239.334 3.575 20 0 BHADRN C[C@H]1CCCCCN1C(=O)C(F)=C1CCCC1 ZINC000763050817 585442594 /nfs/dbraw/zinc/44/25/94/585442594.db2.gz VRYVYPUJODZFCJ-NSHDSACASA-N 0 0 239.334 3.575 20 0 BHADRN CC(C)(C)CCCNC(=O)C(F)=C1CCCC1 ZINC000763052779 585442491 /nfs/dbraw/zinc/44/24/91/585442491.db2.gz KOQNGVLXRZNWRY-UHFFFAOYSA-N 0 0 241.350 3.727 20 0 BHADRN CC(C)N(C(=O)C(F)=C1CCCC1)C1CCC1 ZINC000763054583 585442414 /nfs/dbraw/zinc/44/24/14/585442414.db2.gz NVCSJTKFFCIOGO-UHFFFAOYSA-N 0 0 239.334 3.574 20 0 BHADRN CC[C@@H](C)C[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC000763055581 644653275 /nfs/dbraw/zinc/65/32/75/644653275.db2.gz OAZHQWSPZSTIEQ-GHMZBOCLSA-N 0 0 241.350 3.725 20 0 BHADRN CC[C@@H](C)C[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC000763055584 644653737 /nfs/dbraw/zinc/65/37/37/644653737.db2.gz OAZHQWSPZSTIEQ-MNOVXSKESA-N 0 0 241.350 3.725 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC000763055588 644652885 /nfs/dbraw/zinc/65/28/85/644652885.db2.gz OAZHQWSPZSTIEQ-QWRGUYRKSA-N 0 0 241.350 3.725 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC000763055591 644653001 /nfs/dbraw/zinc/65/30/01/644653001.db2.gz OAZHQWSPZSTIEQ-WDEREUQCSA-N 0 0 241.350 3.725 20 0 BHADRN CC[C@@H](C)CN(CC)C(=O)C(F)=C1CCCC1 ZINC000763065572 584919877 /nfs/dbraw/zinc/91/98/77/584919877.db2.gz ULWPJPWPRZZXAY-LLVKDONJSA-N 0 0 241.350 3.679 20 0 BHADRN CC[C@H](C)CN(CC)C(=O)C(F)=C1CCCC1 ZINC000763065574 584919810 /nfs/dbraw/zinc/91/98/10/584919810.db2.gz ULWPJPWPRZZXAY-NSHDSACASA-N 0 0 241.350 3.679 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N(CC)C1CC1 ZINC000763072512 585442829 /nfs/dbraw/zinc/44/28/29/585442829.db2.gz NCQZCCCSVLAJBC-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N(CC)C1CC1 ZINC000763072740 585442709 /nfs/dbraw/zinc/44/27/09/585442709.db2.gz NCQZCCCSVLAJBC-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN c1ccc(-c2nnc(SCC3CC3)s2)cc1 ZINC000763156883 585443749 /nfs/dbraw/zinc/44/37/49/585443749.db2.gz PTSQPIDBQVZJAP-UHFFFAOYSA-N 0 0 248.376 3.707 20 0 BHADRN CCOc1ccc(OC/C(Cl)=C/Cl)cc1 ZINC000763162975 585443827 /nfs/dbraw/zinc/44/38/27/585443827.db2.gz OWKSDKXCUHCYPP-CLFYSBASSA-N 0 0 247.121 3.783 20 0 BHADRN CCOc1ccc(OC/C(Cl)=C\Cl)cc1 ZINC000763162976 585443852 /nfs/dbraw/zinc/44/38/52/585443852.db2.gz OWKSDKXCUHCYPP-VQHVLOKHSA-N 0 0 247.121 3.783 20 0 BHADRN Clc1ncn(CC2CCCCC2)c1Cl ZINC000763175265 585443929 /nfs/dbraw/zinc/44/39/29/585443929.db2.gz OHWXSFAWIGLIOR-UHFFFAOYSA-N 0 0 233.142 3.770 20 0 BHADRN Fc1ccc(OC/C(Cl)=C\Cl)cc1F ZINC000763177275 585444305 /nfs/dbraw/zinc/44/43/05/585444305.db2.gz XXQGTRDZCZNNKR-GQCTYLIASA-N 0 0 239.048 3.663 20 0 BHADRN Fc1ccc(OC/C(Cl)=C/Cl)cc1F ZINC000763177283 585444266 /nfs/dbraw/zinc/44/42/66/585444266.db2.gz XXQGTRDZCZNNKR-XQRVVYSFSA-N 0 0 239.048 3.663 20 0 BHADRN c1ccc(S[C@H]2CCc3ccccc3C2)nc1 ZINC000763177365 585444148 /nfs/dbraw/zinc/44/41/48/585444148.db2.gz SZLULGIVZVUUJG-AWEZNQCLSA-N 0 0 241.359 3.731 20 0 BHADRN c1ccc(S[C@@H]2CCc3ccccc3C2)nc1 ZINC000763177367 585444139 /nfs/dbraw/zinc/44/41/39/585444139.db2.gz SZLULGIVZVUUJG-CQSZACIVSA-N 0 0 241.359 3.731 20 0 BHADRN COc1ccc(OC/C(Cl)=C\Cl)cc1C ZINC000763187597 585444178 /nfs/dbraw/zinc/44/41/78/585444178.db2.gz VOGIUVQATJZHBA-RMKNXTFCSA-N 0 0 247.121 3.701 20 0 BHADRN COc1ccc(OC/C(Cl)=C/Cl)cc1C ZINC000763187598 585444234 /nfs/dbraw/zinc/44/42/34/585444234.db2.gz VOGIUVQATJZHBA-TWGQIWQCSA-N 0 0 247.121 3.701 20 0 BHADRN Fc1cc(F)cc(OC/C(Cl)=C\Cl)c1 ZINC000763187982 585444144 /nfs/dbraw/zinc/44/41/44/585444144.db2.gz IZFZOSMEJALGLH-GQCTYLIASA-N 0 0 239.048 3.663 20 0 BHADRN Fc1cc(F)cc(OC/C(Cl)=C/Cl)c1 ZINC000763187983 585444256 /nfs/dbraw/zinc/44/42/56/585444256.db2.gz IZFZOSMEJALGLH-XQRVVYSFSA-N 0 0 239.048 3.663 20 0 BHADRN Cc1ccnc(N2CCCCCCC2)c1Cl ZINC000763206267 585444618 /nfs/dbraw/zinc/44/46/18/585444618.db2.gz GQVDJFZEADLMCV-UHFFFAOYSA-N 0 0 238.762 3.814 20 0 BHADRN Cc1ccc(OCCSCC2CC2)cc1 ZINC000763210587 585444512 /nfs/dbraw/zinc/44/45/12/585444512.db2.gz GSGHNHLIKQTFRI-UHFFFAOYSA-N 0 0 222.353 3.517 20 0 BHADRN Cc1ccccc1OCCSCC1CC1 ZINC000763214965 585444841 /nfs/dbraw/zinc/44/48/41/585444841.db2.gz XOIFUPFDIHLPKE-UHFFFAOYSA-N 0 0 222.353 3.517 20 0 BHADRN COC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000763220890 585444804 /nfs/dbraw/zinc/44/48/04/585444804.db2.gz IOCFYPYEZHPYKG-AWEZNQCLSA-N 0 0 247.338 3.543 20 0 BHADRN COC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000763224010 585444772 /nfs/dbraw/zinc/44/47/72/585444772.db2.gz IOCFYPYEZHPYKG-CQSZACIVSA-N 0 0 247.338 3.543 20 0 BHADRN C=Cc1ccc(C(=O)NCCCCCC)cc1 ZINC000763238465 585444982 /nfs/dbraw/zinc/44/49/82/585444982.db2.gz GJJJEQVMXDBNPO-UHFFFAOYSA-N 0 0 231.339 3.640 20 0 BHADRN Fc1cccc(F)c1OC/C(Cl)=C\Cl ZINC000763252031 585445024 /nfs/dbraw/zinc/44/50/24/585445024.db2.gz KMZCCWSOWITRGK-GQCTYLIASA-N 0 0 239.048 3.663 20 0 BHADRN Fc1cccc(F)c1OC/C(Cl)=C/Cl ZINC000763252032 585444959 /nfs/dbraw/zinc/44/49/59/585444959.db2.gz KMZCCWSOWITRGK-XQRVVYSFSA-N 0 0 239.048 3.663 20 0 BHADRN Cl/C=C(\Cl)CSc1nccn1C1CC1 ZINC000763254167 585445022 /nfs/dbraw/zinc/44/50/22/585445022.db2.gz GSRXXQJRZCBJCZ-ALCCZGGFSA-N 0 0 249.166 3.629 20 0 BHADRN Cl/C=C(/Cl)CSc1nccn1C1CC1 ZINC000763254170 585444943 /nfs/dbraw/zinc/44/49/43/585444943.db2.gz GSRXXQJRZCBJCZ-FNORWQNLSA-N 0 0 249.166 3.629 20 0 BHADRN CCOc1ccc(SCC2CC2)cc1 ZINC000763255963 585445257 /nfs/dbraw/zinc/44/52/57/585445257.db2.gz WLTQYCHSKQOXOW-UHFFFAOYSA-N 0 0 208.326 3.587 20 0 BHADRN Fc1ccc([C@@H]2CCC[N@@H+]2CC2CC2)cc1F ZINC000763409551 585447948 /nfs/dbraw/zinc/44/79/48/585447948.db2.gz GDXPRBTWTPKDQT-AWEZNQCLSA-N 0 0 237.293 3.512 20 0 BHADRN Fc1ccc([C@H]2CCC[N@@H+]2CC2CC2)cc1F ZINC000763409557 585447806 /nfs/dbraw/zinc/44/78/06/585447806.db2.gz GDXPRBTWTPKDQT-CQSZACIVSA-N 0 0 237.293 3.512 20 0 BHADRN CSCCN(C)c1ccc(C(C)C)cc1 ZINC000763425566 585448218 /nfs/dbraw/zinc/44/82/18/585448218.db2.gz AOCHJQQOSYZIKV-UHFFFAOYSA-N 0 0 223.385 3.609 20 0 BHADRN COCCCCN(C)c1ccc(C(C)C)cc1 ZINC000763426926 585448446 /nfs/dbraw/zinc/44/84/46/585448446.db2.gz JUCTZQKDROVLHW-UHFFFAOYSA-N 0 0 235.371 3.673 20 0 BHADRN CCOCCCN(C)c1ccc(C(C)C)cc1 ZINC000763428099 585448289 /nfs/dbraw/zinc/44/82/89/585448289.db2.gz OWRFNFFABBMIFA-UHFFFAOYSA-N 0 0 235.371 3.673 20 0 BHADRN CC(C)c1ccc(N(C)Cc2ccccn2)cc1 ZINC000763428318 585448422 /nfs/dbraw/zinc/44/84/22/585448422.db2.gz RPOGUCYXEXRMBG-UHFFFAOYSA-N 0 0 240.350 3.841 20 0 BHADRN CC(C)OCCN(C)c1ccc(C(C)C)cc1 ZINC000763429668 585448363 /nfs/dbraw/zinc/44/83/63/585448363.db2.gz HSOZPBLHGGTJCT-UHFFFAOYSA-N 0 0 235.371 3.671 20 0 BHADRN CC(C)c1ccc(N(C)CCCCCCO)cc1 ZINC000763432258 585448342 /nfs/dbraw/zinc/44/83/42/585448342.db2.gz SLFDYSISAHZVJR-UHFFFAOYSA-N 0 0 249.398 3.799 20 0 BHADRN CC(C)c1ccc(N(C)Cc2cccnc2)cc1 ZINC000763432282 585448356 /nfs/dbraw/zinc/44/83/56/585448356.db2.gz SUUQTBQJLLUUCQ-UHFFFAOYSA-N 0 0 240.350 3.841 20 0 BHADRN Cc1cc(CN(C)c2ccc(C(C)C)cc2)on1 ZINC000763432333 585447619 /nfs/dbraw/zinc/44/76/19/585447619.db2.gz UOGJSXXUZIPITQ-UHFFFAOYSA-N 0 0 244.338 3.743 20 0 BHADRN CCN(C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000763475842 585448569 /nfs/dbraw/zinc/44/85/69/585448569.db2.gz HQOORFWCAZSCNY-WQLSENKSSA-N 0 0 244.165 3.828 20 0 BHADRN CCN(C/C(Cl)=C\Cl)Cc1ccccc1 ZINC000763475849 585448533 /nfs/dbraw/zinc/44/85/33/585448533.db2.gz HQOORFWCAZSCNY-XYOKQWHBSA-N 0 0 244.165 3.828 20 0 BHADRN CN(CC1CC1)c1ccc2ccccc2c1 ZINC000763476225 585448674 /nfs/dbraw/zinc/44/86/74/585448674.db2.gz MLZKZVUPKOIIFG-UHFFFAOYSA-N 0 0 211.308 3.686 20 0 BHADRN CN(C/C(Cl)=C/Cl)CC1CCCCC1 ZINC000763476466 585448735 /nfs/dbraw/zinc/44/87/35/585448735.db2.gz BBTZJZMGLWIVJL-XFFZJAGNSA-N 0 0 236.186 3.818 20 0 BHADRN CN(C/C(Cl)=C\Cl)CC1CCCCC1 ZINC000763476642 585448720 /nfs/dbraw/zinc/44/87/20/585448720.db2.gz BBTZJZMGLWIVJL-YRNVUSSQSA-N 0 0 236.186 3.818 20 0 BHADRN Cc1ccc(CN(C)C/C(Cl)=C/Cl)cc1 ZINC000763477355 585448566 /nfs/dbraw/zinc/44/85/66/585448566.db2.gz PTYWBQGVKYNWDQ-GHXNOFRVSA-N 0 0 244.165 3.746 20 0 BHADRN Cc1ccc(CN(C)C/C(Cl)=C\Cl)cc1 ZINC000763477356 585448523 /nfs/dbraw/zinc/44/85/23/585448523.db2.gz PTYWBQGVKYNWDQ-KPKJPENVSA-N 0 0 244.165 3.746 20 0 BHADRN CN(C/C(Cl)=C/Cl)Cc1cccc(F)c1 ZINC000763479606 585448907 /nfs/dbraw/zinc/44/89/07/585448907.db2.gz WKZRXORLUXJZCS-POHAHGRESA-N 0 0 248.128 3.577 20 0 BHADRN CN(C/C(Cl)=C\Cl)Cc1cccc(F)c1 ZINC000763479610 585448855 /nfs/dbraw/zinc/44/88/55/585448855.db2.gz WKZRXORLUXJZCS-UXBLZVDNSA-N 0 0 248.128 3.577 20 0 BHADRN CC/C=C\COC(=O)c1cccc(Cl)c1F ZINC000763489831 585448937 /nfs/dbraw/zinc/44/89/37/585448937.db2.gz HPHAPLBSNSFZHB-ARJAWSKDSA-N 0 0 242.677 3.602 20 0 BHADRN CC/C=C/COC(=O)c1cccc(Cl)c1F ZINC000763489833 585448892 /nfs/dbraw/zinc/44/88/92/585448892.db2.gz HPHAPLBSNSFZHB-ONEGZZNKSA-N 0 0 242.677 3.602 20 0 BHADRN Cl/C=C(\Cl)CN(C1CC1)C1CCCC1 ZINC000763491115 585448919 /nfs/dbraw/zinc/44/89/19/585448919.db2.gz VWYFHMJJBITZFP-CLFYSBASSA-N 0 0 234.170 3.712 20 0 BHADRN Cl/C=C(/Cl)CN(C1CC1)C1CCCC1 ZINC000763491117 585448783 /nfs/dbraw/zinc/44/87/83/585448783.db2.gz VWYFHMJJBITZFP-VQHVLOKHSA-N 0 0 234.170 3.712 20 0 BHADRN Cc1cccc(CN(C)C/C(Cl)=C/Cl)c1 ZINC000763491682 585448910 /nfs/dbraw/zinc/44/89/10/585448910.db2.gz BMOMPNFYXOIPEA-GHXNOFRVSA-N 0 0 244.165 3.746 20 0 BHADRN Cc1cccc(CN(C)C/C(Cl)=C\Cl)c1 ZINC000763491683 585448991 /nfs/dbraw/zinc/44/89/91/585448991.db2.gz BMOMPNFYXOIPEA-KPKJPENVSA-N 0 0 244.165 3.746 20 0 BHADRN CCC(CC)[N@H+](C/C(Cl)=C/Cl)C1CC1 ZINC000763495769 585449220 /nfs/dbraw/zinc/44/92/20/585449220.db2.gz MXMQOMLYWIRZHP-CLFYSBASSA-N 0 0 236.186 3.958 20 0 BHADRN CCC(CC)[N@H+](C/C(Cl)=C\Cl)C1CC1 ZINC000763495770 585449121 /nfs/dbraw/zinc/44/91/21/585449121.db2.gz MXMQOMLYWIRZHP-VQHVLOKHSA-N 0 0 236.186 3.958 20 0 BHADRN Cc1ccc(NCc2coc(C3CC3)n2)c(F)c1 ZINC000763497193 585449155 /nfs/dbraw/zinc/44/91/55/585449155.db2.gz BCTJPRQTGMHFTK-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1ccc(F)c(NCc2coc(C3CC3)n2)c1 ZINC000763498766 585449195 /nfs/dbraw/zinc/44/91/95/585449195.db2.gz SUSHLJUEDYBQET-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN CC(C)N(C/C(Cl)=C/Cl)Cc1ccco1 ZINC000763506439 585449330 /nfs/dbraw/zinc/44/93/30/585449330.db2.gz FCKGMAWPMUNRFX-POHAHGRESA-N 0 0 248.153 3.809 20 0 BHADRN CC(C)N(C/C(Cl)=C\Cl)Cc1ccco1 ZINC000763506443 585449460 /nfs/dbraw/zinc/44/94/60/585449460.db2.gz FCKGMAWPMUNRFX-UXBLZVDNSA-N 0 0 248.153 3.809 20 0 BHADRN CCN(Cc1nc(C)cs1)c1ccc(C)cc1 ZINC000763506724 585449415 /nfs/dbraw/zinc/44/94/15/585449415.db2.gz FNODSNXIJHNMAF-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CC(C)Oc1ccc(NCc2ccoc2)c(F)c1 ZINC000763507231 585449362 /nfs/dbraw/zinc/44/93/62/585449362.db2.gz QCBNBVMZOIFMSB-UHFFFAOYSA-N 0 0 249.285 3.818 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc2nc(C)sc2c1 ZINC000763507993 585449451 /nfs/dbraw/zinc/44/94/51/585449451.db2.gz UMOUPOWTEJZCBQ-MRVPVSSYSA-N 0 0 249.335 3.560 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc2nc(C)sc2c1 ZINC000763507995 585449257 /nfs/dbraw/zinc/44/92/57/585449257.db2.gz UMOUPOWTEJZCBQ-QMMMGPOBSA-N 0 0 249.335 3.560 20 0 BHADRN CCCCOC(=O)c1ccc2nc(C)sc2c1 ZINC000763509637 585449453 /nfs/dbraw/zinc/44/94/53/585449453.db2.gz GUPWJOADYISEKM-UHFFFAOYSA-N 0 0 249.335 3.562 20 0 BHADRN CCC1(C(=O)NCCC2CCC2)CCCCC1 ZINC000763511301 585449346 /nfs/dbraw/zinc/44/93/46/585449346.db2.gz ZIUPIRVTOHKXFU-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN CC(C)(C)c1ccc(C(=O)OCCCF)s1 ZINC000763517207 585449305 /nfs/dbraw/zinc/44/93/05/585449305.db2.gz DUCFNKYNJAKJBQ-UHFFFAOYSA-N 0 0 244.331 3.562 20 0 BHADRN CN(C/C(Cl)=C\Cl)c1ccccc1F ZINC000763520178 585449447 /nfs/dbraw/zinc/44/94/47/585449447.db2.gz YXCIUEKLNOQEBM-SOFGYWHQSA-N 0 0 234.101 3.581 20 0 BHADRN CN(C/C(Cl)=C/Cl)c1ccccc1F ZINC000763520179 585449402 /nfs/dbraw/zinc/44/94/02/585449402.db2.gz YXCIUEKLNOQEBM-VURMDHGXSA-N 0 0 234.101 3.581 20 0 BHADRN Cc1ccc(N(C)C/C(Cl)=C\Cl)cc1 ZINC000763520673 585449270 /nfs/dbraw/zinc/44/92/70/585449270.db2.gz KTAXSBHPZBDCHH-JXMROGBWSA-N 0 0 230.138 3.750 20 0 BHADRN Cc1ccc(N(C)C/C(Cl)=C/Cl)cc1 ZINC000763520683 585449315 /nfs/dbraw/zinc/44/93/15/585449315.db2.gz KTAXSBHPZBDCHH-YFHOEESVSA-N 0 0 230.138 3.750 20 0 BHADRN CCC1(C)CCN(C/C(Cl)=C\Cl)CC1 ZINC000763521756 585449511 /nfs/dbraw/zinc/44/95/11/585449511.db2.gz VPJWHUWRVQCRCF-CSKARUKUSA-N 0 0 236.186 3.818 20 0 BHADRN CCC1(C)CCN(C/C(Cl)=C/Cl)CC1 ZINC000763521760 585449665 /nfs/dbraw/zinc/44/96/65/585449665.db2.gz VPJWHUWRVQCRCF-NTMALXAHSA-N 0 0 236.186 3.818 20 0 BHADRN Cc1cccc(N(C)C/C(Cl)=C\Cl)c1 ZINC000763522447 585449614 /nfs/dbraw/zinc/44/96/14/585449614.db2.gz YOSICLJGWFFWFR-JXMROGBWSA-N 0 0 230.138 3.750 20 0 BHADRN Cc1cccc(N(C)C/C(Cl)=C/Cl)c1 ZINC000763522449 585449586 /nfs/dbraw/zinc/44/95/86/585449586.db2.gz YOSICLJGWFFWFR-YFHOEESVSA-N 0 0 230.138 3.750 20 0 BHADRN CCCCCCNC(=O)[C@H](CCC)C(C)C ZINC000763524950 585449480 /nfs/dbraw/zinc/44/94/80/585449480.db2.gz HFIGWUPEERFLJM-CYBMUJFWSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCCNC(=O)[C@@H](CCC)C(C)C ZINC000763524951 585449557 /nfs/dbraw/zinc/44/95/57/585449557.db2.gz HFIGWUPEERFLJM-ZDUSSCGKSA-N 0 0 227.392 3.755 20 0 BHADRN CCC1(C(=O)N[C@H](C)c2ccc[nH]2)CCCCC1 ZINC000763531657 585449597 /nfs/dbraw/zinc/44/95/97/585449597.db2.gz PWDRLRKEUJITJG-GFCCVEGCSA-N 0 0 248.370 3.552 20 0 BHADRN CCC1(C(=O)N[C@@H](C)c2ccc[nH]2)CCCCC1 ZINC000763531659 585449671 /nfs/dbraw/zinc/44/96/71/585449671.db2.gz PWDRLRKEUJITJG-LBPRGKRZSA-N 0 0 248.370 3.552 20 0 BHADRN CCC(CC)OC(=O)c1cccc(Cl)c1F ZINC000763534278 585449507 /nfs/dbraw/zinc/44/95/07/585449507.db2.gz CJJBHQMSWPESLQ-UHFFFAOYSA-N 0 0 244.693 3.825 20 0 BHADRN CCCC[C@@H](C)OC(=O)c1ccc(SC)o1 ZINC000763534440 585449919 /nfs/dbraw/zinc/44/99/19/585449919.db2.gz CRGAJXLKKRSHIJ-SECBINFHSA-N 0 0 242.340 3.737 20 0 BHADRN CCCC[C@H](C)OC(=O)c1ccc(SC)o1 ZINC000763534441 585449741 /nfs/dbraw/zinc/44/97/41/585449741.db2.gz CRGAJXLKKRSHIJ-VIFPVBQESA-N 0 0 242.340 3.737 20 0 BHADRN CCCC[C@@H](C)OC(=O)c1cccc(C(C)C)n1 ZINC000763534754 585449587 /nfs/dbraw/zinc/44/95/87/585449587.db2.gz DQMTZJWDBNAUCY-GFCCVEGCSA-N 0 0 249.354 3.941 20 0 BHADRN CCCC[C@H](C)OC(=O)c1cccc(C(C)C)n1 ZINC000763534756 585449638 /nfs/dbraw/zinc/44/96/38/585449638.db2.gz DQMTZJWDBNAUCY-LBPRGKRZSA-N 0 0 249.354 3.941 20 0 BHADRN CCCC[C@@H](C)OC(=O)CCc1ccsc1 ZINC000763534793 585449021 /nfs/dbraw/zinc/44/90/21/585449021.db2.gz FLLGLOFHZVXGLR-LLVKDONJSA-N 0 0 240.368 3.803 20 0 BHADRN CCCC[C@H](C)OC(=O)CCc1ccsc1 ZINC000763534794 585449137 /nfs/dbraw/zinc/44/91/37/585449137.db2.gz FLLGLOFHZVXGLR-NSHDSACASA-N 0 0 240.368 3.803 20 0 BHADRN CCCC[C@H](C)OC(=O)c1ccccc1F ZINC000763535105 585449798 /nfs/dbraw/zinc/44/97/98/585449798.db2.gz IDAGZCDPGHMDPP-JTQLQIEISA-N 0 0 224.275 3.561 20 0 BHADRN CCCC[C@@H](C)OC(=O)c1ccccc1F ZINC000763535109 585449788 /nfs/dbraw/zinc/44/97/88/585449788.db2.gz IDAGZCDPGHMDPP-SNVBAGLBSA-N 0 0 224.275 3.561 20 0 BHADRN CCCC[C@@H](C)OC(=O)c1scnc1Cl ZINC000763535356 585449817 /nfs/dbraw/zinc/44/98/17/585449817.db2.gz KQGMENMJUXZDRM-SSDOTTSWSA-N 0 0 247.747 3.532 20 0 BHADRN CCCC[C@H](C)OC(=O)c1scnc1Cl ZINC000763535802 585449836 /nfs/dbraw/zinc/44/98/36/585449836.db2.gz KQGMENMJUXZDRM-ZETCQYMHSA-N 0 0 247.747 3.532 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@H](C)c1ccc(C)o1 ZINC000763535873 585449733 /nfs/dbraw/zinc/44/97/33/585449733.db2.gz LDTBCHUAFPBUBN-CMPLNLGQSA-N 0 0 238.327 3.813 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@@H](C)c1ccc(C)o1 ZINC000763535875 585449909 /nfs/dbraw/zinc/44/99/09/585449909.db2.gz LDTBCHUAFPBUBN-JQWIXIFHSA-N 0 0 238.327 3.813 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@@H](C)c1ccc(C)o1 ZINC000763535876 585449117 /nfs/dbraw/zinc/44/91/17/585449117.db2.gz LDTBCHUAFPBUBN-PWSUYJOCSA-N 0 0 238.327 3.813 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@H](C)c1ccc(C)o1 ZINC000763535879 585449136 /nfs/dbraw/zinc/44/91/36/585449136.db2.gz LDTBCHUAFPBUBN-ZYHUDNBSSA-N 0 0 238.327 3.813 20 0 BHADRN CCCC[C@H](C)OC(=O)c1ncoc1C(C)C ZINC000763535973 585449857 /nfs/dbraw/zinc/44/98/57/585449857.db2.gz NAJNINGVJMOHPY-JTQLQIEISA-N 0 0 239.315 3.534 20 0 BHADRN CCCC[C@@H](C)OC(=O)c1ncoc1C(C)C ZINC000763535974 585449749 /nfs/dbraw/zinc/44/97/49/585449749.db2.gz NAJNINGVJMOHPY-SNVBAGLBSA-N 0 0 239.315 3.534 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@H](C)c1cccs1 ZINC000763536341 585449843 /nfs/dbraw/zinc/44/98/43/585449843.db2.gz ONTYIPZVBDNZTR-GHMZBOCLSA-N 0 0 240.368 3.974 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@@H](C)c1cccs1 ZINC000763536343 585449774 /nfs/dbraw/zinc/44/97/74/585449774.db2.gz ONTYIPZVBDNZTR-MNOVXSKESA-N 0 0 240.368 3.974 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@@H](C)c1cccs1 ZINC000763536344 585449769 /nfs/dbraw/zinc/44/97/69/585449769.db2.gz ONTYIPZVBDNZTR-QWRGUYRKSA-N 0 0 240.368 3.974 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@H](C)c1cccs1 ZINC000763536346 585449928 /nfs/dbraw/zinc/44/99/28/585449928.db2.gz ONTYIPZVBDNZTR-WDEREUQCSA-N 0 0 240.368 3.974 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@H](C)c1ccco1 ZINC000763537028 585449210 /nfs/dbraw/zinc/44/92/10/585449210.db2.gz DGTHTODRUVQYGO-GHMZBOCLSA-N 0 0 224.300 3.505 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@@H](C)c1ccco1 ZINC000763537029 585449192 /nfs/dbraw/zinc/44/91/92/585449192.db2.gz DGTHTODRUVQYGO-MNOVXSKESA-N 0 0 224.300 3.505 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@@H](C)c1ccco1 ZINC000763537031 585449044 /nfs/dbraw/zinc/44/90/44/585449044.db2.gz DGTHTODRUVQYGO-QWRGUYRKSA-N 0 0 224.300 3.505 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@H](C)c1ccco1 ZINC000763537032 585449184 /nfs/dbraw/zinc/44/91/84/585449184.db2.gz DGTHTODRUVQYGO-WDEREUQCSA-N 0 0 224.300 3.505 20 0 BHADRN CCCC[C@@H](C)OC(=O)C[C@@H](C)n1cccc1 ZINC000763537147 585449933 /nfs/dbraw/zinc/44/99/33/585449933.db2.gz SLNJVVWNTGCFLJ-CHWSQXEVSA-N 0 0 237.343 3.561 20 0 BHADRN CCCC[C@H](C)OC(=O)C[C@@H](C)n1cccc1 ZINC000763537149 585449724 /nfs/dbraw/zinc/44/97/24/585449724.db2.gz SLNJVVWNTGCFLJ-OLZOCXBDSA-N 0 0 237.343 3.561 20 0 BHADRN CCCC[C@@H](C)OC(=O)C[C@H](C)n1cccc1 ZINC000763537150 585449888 /nfs/dbraw/zinc/44/98/88/585449888.db2.gz SLNJVVWNTGCFLJ-QWHCGFSZSA-N 0 0 237.343 3.561 20 0 BHADRN CCCC[C@H](C)OC(=O)C[C@H](C)n1cccc1 ZINC000763537151 585449889 /nfs/dbraw/zinc/44/98/89/585449889.db2.gz SLNJVVWNTGCFLJ-STQMWFEESA-N 0 0 237.343 3.561 20 0 BHADRN CCCC[C@@H](C)OC(=O)c1ccc(Cl)o1 ZINC000763537248 585449829 /nfs/dbraw/zinc/44/98/29/585449829.db2.gz FUJFAKPPCZTZRY-MRVPVSSYSA-N 0 0 230.691 3.669 20 0 BHADRN CCCC[C@H](C)OC(=O)c1ccc(Cl)o1 ZINC000763537257 585449795 /nfs/dbraw/zinc/44/97/95/585449795.db2.gz FUJFAKPPCZTZRY-QMMMGPOBSA-N 0 0 230.691 3.669 20 0 BHADRN CCCC[C@@H](C)OC(=O)CCCCSC ZINC000763537625 585449918 /nfs/dbraw/zinc/44/99/18/585449918.db2.gz GBGZFYJWGXRQLN-LLVKDONJSA-N 0 0 232.389 3.642 20 0 BHADRN CCCC[C@H](C)OC(=O)CCCCSC ZINC000763537626 585449939 /nfs/dbraw/zinc/44/99/39/585449939.db2.gz GBGZFYJWGXRQLN-NSHDSACASA-N 0 0 232.389 3.642 20 0 BHADRN CCCC[C@@H](C)OC(=O)C[C@@H](OCC)C(C)C ZINC000763537721 585449923 /nfs/dbraw/zinc/44/99/23/585449923.db2.gz WLDGJRBCRZTFSW-CHWSQXEVSA-N 0 0 244.375 3.560 20 0 BHADRN CCCC[C@@H](C)OC(=O)C[C@H](OCC)C(C)C ZINC000763537722 585449830 /nfs/dbraw/zinc/44/98/30/585449830.db2.gz WLDGJRBCRZTFSW-OLZOCXBDSA-N 0 0 244.375 3.560 20 0 BHADRN CCCC[C@H](C)OC(=O)C[C@@H](OCC)C(C)C ZINC000763537723 585449770 /nfs/dbraw/zinc/44/97/70/585449770.db2.gz WLDGJRBCRZTFSW-QWHCGFSZSA-N 0 0 244.375 3.560 20 0 BHADRN CCCC[C@H](C)OC(=O)C[C@H](OCC)C(C)C ZINC000763537724 585449734 /nfs/dbraw/zinc/44/97/34/585449734.db2.gz WLDGJRBCRZTFSW-STQMWFEESA-N 0 0 244.375 3.560 20 0 BHADRN CCCC[C@@H](C)OC(=O)c1cccc(F)c1F ZINC000763538154 585449824 /nfs/dbraw/zinc/44/98/24/585449824.db2.gz HAUGGUFHJMCWNJ-SECBINFHSA-N 0 0 242.265 3.700 20 0 BHADRN CCCC[C@H](C)OC(=O)c1cccc(F)c1F ZINC000763538155 585449890 /nfs/dbraw/zinc/44/98/90/585449890.db2.gz HAUGGUFHJMCWNJ-VIFPVBQESA-N 0 0 242.265 3.700 20 0 BHADRN CCCC[C@@H](C)OC(=O)CCc1ccc(C)o1 ZINC000763538558 585449728 /nfs/dbraw/zinc/44/97/28/585449728.db2.gz OBYZIMKPGPJICA-LLVKDONJSA-N 0 0 238.327 3.643 20 0 BHADRN CCCC[C@H](C)OC(=O)CCc1ccc(C)o1 ZINC000763538560 585449818 /nfs/dbraw/zinc/44/98/18/585449818.db2.gz OBYZIMKPGPJICA-NSHDSACASA-N 0 0 238.327 3.643 20 0 BHADRN CCCC[C@@H](C)OC(=O)c1ccc(F)cc1F ZINC000763539585 584922232 /nfs/dbraw/zinc/92/22/32/584922232.db2.gz REXCGSRBPKUETE-SECBINFHSA-N 0 0 242.265 3.700 20 0 BHADRN CCCC[C@H](C)OC(=O)c1ccc(F)cc1F ZINC000763539597 584922103 /nfs/dbraw/zinc/92/21/03/584922103.db2.gz REXCGSRBPKUETE-VIFPVBQESA-N 0 0 242.265 3.700 20 0 BHADRN CCCC[C@H](C)OC(=O)CSC(C)(C)C ZINC000763539776 585449993 /nfs/dbraw/zinc/44/99/93/585449993.db2.gz VWNHQOROLNRUMT-JTQLQIEISA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@@H](C)OC(=O)CSC(C)(C)C ZINC000763539777 585450079 /nfs/dbraw/zinc/45/00/79/585450079.db2.gz VWNHQOROLNRUMT-SNVBAGLBSA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@H](C)OC(=O)Cc1ccc(C)s1 ZINC000763540237 585450030 /nfs/dbraw/zinc/45/00/30/585450030.db2.gz ZTROGOMLJOSEGM-JTQLQIEISA-N 0 0 240.368 3.721 20 0 BHADRN CCCC[C@@H](C)OC(=O)Cc1ccc(C)s1 ZINC000763540238 585450017 /nfs/dbraw/zinc/45/00/17/585450017.db2.gz ZTROGOMLJOSEGM-SNVBAGLBSA-N 0 0 240.368 3.721 20 0 BHADRN CCCC[C@@H](C)OC(=O)CCC(C)(F)F ZINC000763540756 585450034 /nfs/dbraw/zinc/45/00/34/585450034.db2.gz WAMKAAUSCRKTHP-SECBINFHSA-N 0 0 222.275 3.544 20 0 BHADRN CCCC[C@H](C)OC(=O)CCC(C)(F)F ZINC000763540758 585449965 /nfs/dbraw/zinc/44/99/65/585449965.db2.gz WAMKAAUSCRKTHP-VIFPVBQESA-N 0 0 222.275 3.544 20 0 BHADRN Cc1ccccc1C1(C(=O)O[C@H](C)C(C)C)CC1 ZINC000763543012 585450021 /nfs/dbraw/zinc/45/00/21/585450021.db2.gz IFULNTRMWYQTHG-CYBMUJFWSA-N 0 0 246.350 3.614 20 0 BHADRN Cc1ccccc1C1(C(=O)O[C@@H](C)C(C)C)CC1 ZINC000763543013 585450117 /nfs/dbraw/zinc/45/01/17/585450117.db2.gz IFULNTRMWYQTHG-ZDUSSCGKSA-N 0 0 246.350 3.614 20 0 BHADRN CC(C)[C@@H](C)OC(=O)CCCc1cccs1 ZINC000763543260 585450024 /nfs/dbraw/zinc/45/00/24/585450024.db2.gz QFXUJLXOEGWIPK-LLVKDONJSA-N 0 0 240.368 3.659 20 0 BHADRN CC(C)[C@H](C)OC(=O)CCCc1cccs1 ZINC000763543263 585449946 /nfs/dbraw/zinc/44/99/46/585449946.db2.gz QFXUJLXOEGWIPK-NSHDSACASA-N 0 0 240.368 3.659 20 0 BHADRN c1nc(CN(CC2CC2)c2ccccc2)cs1 ZINC000763543528 585450120 /nfs/dbraw/zinc/45/01/20/585450120.db2.gz MFXJHJYJJCKPHM-UHFFFAOYSA-N 0 0 244.363 3.560 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@H](C)c1ccsc1 ZINC000763543605 585450015 /nfs/dbraw/zinc/45/00/15/585450015.db2.gz NLROUFRHZMLYGL-GHMZBOCLSA-N 0 0 240.368 3.974 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@@H](C)c1ccsc1 ZINC000763543606 585449994 /nfs/dbraw/zinc/44/99/94/585449994.db2.gz NLROUFRHZMLYGL-MNOVXSKESA-N 0 0 240.368 3.974 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@@H](C)c1ccsc1 ZINC000763543609 585450332 /nfs/dbraw/zinc/45/03/32/585450332.db2.gz NLROUFRHZMLYGL-QWRGUYRKSA-N 0 0 240.368 3.974 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@H](C)c1ccsc1 ZINC000763543611 585450078 /nfs/dbraw/zinc/45/00/78/585450078.db2.gz NLROUFRHZMLYGL-WDEREUQCSA-N 0 0 240.368 3.974 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1ccc(Cl)cc1F ZINC000763543951 585450225 /nfs/dbraw/zinc/45/02/25/585450225.db2.gz VBXVUZHTQDGSIU-MRVPVSSYSA-N 0 0 244.693 3.680 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1ccc(Cl)cc1F ZINC000763543952 585450302 /nfs/dbraw/zinc/45/03/02/585450302.db2.gz VBXVUZHTQDGSIU-QMMMGPOBSA-N 0 0 244.693 3.680 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1ccc(C(F)F)cc1 ZINC000763544626 585450166 /nfs/dbraw/zinc/45/01/66/585450166.db2.gz SFEQVFRVBRITAM-SECBINFHSA-N 0 0 242.265 3.826 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1ccc(C(F)F)cc1 ZINC000763544628 585450255 /nfs/dbraw/zinc/45/02/55/585450255.db2.gz SFEQVFRVBRITAM-VIFPVBQESA-N 0 0 242.265 3.826 20 0 BHADRN CCC1(C(=O)O[C@H](C)C(C)C)CCCC1 ZINC000763544712 585450288 /nfs/dbraw/zinc/45/02/88/585450288.db2.gz SMJYJTCPGPGNPX-LLVKDONJSA-N 0 0 212.333 3.545 20 0 BHADRN CCC1(C(=O)O[C@@H](C)C(C)C)CCCC1 ZINC000763544715 585450345 /nfs/dbraw/zinc/45/03/45/585450345.db2.gz SMJYJTCPGPGNPX-NSHDSACASA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1coc2ccccc12 ZINC000763545701 585450249 /nfs/dbraw/zinc/45/02/49/585450249.db2.gz YQPVWLABEOZLKR-JTQLQIEISA-N 0 0 232.279 3.634 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1coc2ccccc12 ZINC000763545702 585450319 /nfs/dbraw/zinc/45/03/19/585450319.db2.gz YQPVWLABEOZLKR-SNVBAGLBSA-N 0 0 232.279 3.634 20 0 BHADRN CCCC[C@@H](C)OC(=O)CCc1cccs1 ZINC000763545713 585450299 /nfs/dbraw/zinc/45/02/99/585450299.db2.gz ZCYWRNDGYOXQPI-LLVKDONJSA-N 0 0 240.368 3.803 20 0 BHADRN CCCC[C@H](C)OC(=O)CCc1cccs1 ZINC000763545715 585450168 /nfs/dbraw/zinc/45/01/68/585450168.db2.gz ZCYWRNDGYOXQPI-NSHDSACASA-N 0 0 240.368 3.803 20 0 BHADRN CC(C)[C@@H](C)OC(=O)[C@H](C)c1ccccc1F ZINC000763546982 585450252 /nfs/dbraw/zinc/45/02/52/585450252.db2.gz FCIWKOOWYAGUNW-GHMZBOCLSA-N 0 0 238.302 3.517 20 0 BHADRN CC(C)[C@H](C)OC(=O)[C@H](C)c1ccccc1F ZINC000763546987 585450156 /nfs/dbraw/zinc/45/01/56/585450156.db2.gz FCIWKOOWYAGUNW-MNOVXSKESA-N 0 0 238.302 3.517 20 0 BHADRN CC(C)[C@H](C)OC(=O)[C@@H](C)c1ccccc1F ZINC000763546990 585450231 /nfs/dbraw/zinc/45/02/31/585450231.db2.gz FCIWKOOWYAGUNW-QWRGUYRKSA-N 0 0 238.302 3.517 20 0 BHADRN CC(C)[C@@H](C)OC(=O)[C@@H](C)c1ccccc1F ZINC000763546993 585450367 /nfs/dbraw/zinc/45/03/67/585450367.db2.gz FCIWKOOWYAGUNW-WDEREUQCSA-N 0 0 238.302 3.517 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1cc2ccccc2o1 ZINC000763546996 585450237 /nfs/dbraw/zinc/45/02/37/585450237.db2.gz FCNFHNJMMCDPDG-JTQLQIEISA-N 0 0 232.279 3.634 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1cc2ccccc2o1 ZINC000763547000 585450274 /nfs/dbraw/zinc/45/02/74/585450274.db2.gz FCNFHNJMMCDPDG-SNVBAGLBSA-N 0 0 232.279 3.634 20 0 BHADRN CC(C)[C@@H](C)OC(=O)Cc1cc2ccccc2o1 ZINC000763547002 585450333 /nfs/dbraw/zinc/45/03/33/585450333.db2.gz FGAHTAOXIXKBIP-LLVKDONJSA-N 0 0 246.306 3.563 20 0 BHADRN CC(C)[C@H](C)OC(=O)Cc1cc2ccccc2o1 ZINC000763547005 585450330 /nfs/dbraw/zinc/45/03/30/585450330.db2.gz FGAHTAOXIXKBIP-NSHDSACASA-N 0 0 246.306 3.563 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1cc2c(cccc2F)[nH]1 ZINC000763547241 585450368 /nfs/dbraw/zinc/45/03/68/585450368.db2.gz HLCIORBOERMFAY-SECBINFHSA-N 0 0 249.285 3.508 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1cc2c(cccc2F)[nH]1 ZINC000763547243 585450253 /nfs/dbraw/zinc/45/02/53/585450253.db2.gz HLCIORBOERMFAY-VIFPVBQESA-N 0 0 249.285 3.508 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1ccc(F)cc1Cl ZINC000763548426 585450284 /nfs/dbraw/zinc/45/02/84/585450284.db2.gz NGCRYTZNCCZGJW-MRVPVSSYSA-N 0 0 244.693 3.680 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1ccc(F)cc1Cl ZINC000763548429 585450279 /nfs/dbraw/zinc/45/02/79/585450279.db2.gz NGCRYTZNCCZGJW-QMMMGPOBSA-N 0 0 244.693 3.680 20 0 BHADRN CSc1ccsc1C(=O)O[C@H](C)C(C)C ZINC000763549771 585450281 /nfs/dbraw/zinc/45/02/81/585450281.db2.gz FRSSTFVQLXWZJI-MRVPVSSYSA-N 0 0 244.381 3.671 20 0 BHADRN CSc1ccsc1C(=O)O[C@@H](C)C(C)C ZINC000763549772 585450164 /nfs/dbraw/zinc/45/01/64/585450164.db2.gz FRSSTFVQLXWZJI-QMMMGPOBSA-N 0 0 244.381 3.671 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1ccc(Cl)s1 ZINC000763549876 585450387 /nfs/dbraw/zinc/45/03/87/585450387.db2.gz HNBNCWDVSIPYGJ-SSDOTTSWSA-N 0 0 232.732 3.603 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1ccc(Cl)s1 ZINC000763549882 585450581 /nfs/dbraw/zinc/45/05/81/585450581.db2.gz HNBNCWDVSIPYGJ-ZETCQYMHSA-N 0 0 232.732 3.603 20 0 BHADRN CC(C)[C@@H](C)OC(=O)C1(c2ccccc2)CCC1 ZINC000763550955 584922462 /nfs/dbraw/zinc/92/24/62/584922462.db2.gz PEKGWGCGZZJTFH-CYBMUJFWSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)[C@H](C)OC(=O)C1(c2ccccc2)CCC1 ZINC000763550963 584922457 /nfs/dbraw/zinc/92/24/57/584922457.db2.gz PEKGWGCGZZJTFH-ZDUSSCGKSA-N 0 0 246.350 3.696 20 0 BHADRN CC(C)[C@@H](C)OC(=O)[C@H](C)c1cccc(F)c1 ZINC000763551956 585450607 /nfs/dbraw/zinc/45/06/07/585450607.db2.gz FCTSZJXKWHAQCD-GHMZBOCLSA-N 0 0 238.302 3.517 20 0 BHADRN CC(C)[C@H](C)OC(=O)[C@H](C)c1cccc(F)c1 ZINC000763551957 585450422 /nfs/dbraw/zinc/45/04/22/585450422.db2.gz FCTSZJXKWHAQCD-MNOVXSKESA-N 0 0 238.302 3.517 20 0 BHADRN CC(C)[C@H](C)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000763551958 585450536 /nfs/dbraw/zinc/45/05/36/585450536.db2.gz FCTSZJXKWHAQCD-QWRGUYRKSA-N 0 0 238.302 3.517 20 0 BHADRN CC(C)[C@@H](C)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000763551959 585450449 /nfs/dbraw/zinc/45/04/49/585450449.db2.gz FCTSZJXKWHAQCD-WDEREUQCSA-N 0 0 238.302 3.517 20 0 BHADRN CC(C)[C@@H](C)OC(=O)C[C@@H](C)c1ccccc1 ZINC000763551968 585450414 /nfs/dbraw/zinc/45/04/14/585450414.db2.gz FLEWXONSRGYXHX-CHWSQXEVSA-N 0 0 234.339 3.768 20 0 BHADRN CC(C)[C@H](C)OC(=O)C[C@@H](C)c1ccccc1 ZINC000763551969 585450531 /nfs/dbraw/zinc/45/05/31/585450531.db2.gz FLEWXONSRGYXHX-OLZOCXBDSA-N 0 0 234.339 3.768 20 0 BHADRN CC(C)[C@@H](C)OC(=O)C[C@H](C)c1ccccc1 ZINC000763551970 585450438 /nfs/dbraw/zinc/45/04/38/585450438.db2.gz FLEWXONSRGYXHX-QWHCGFSZSA-N 0 0 234.339 3.768 20 0 BHADRN CC(C)[C@H](C)OC(=O)C[C@H](C)c1ccccc1 ZINC000763551971 585450421 /nfs/dbraw/zinc/45/04/21/585450421.db2.gz FLEWXONSRGYXHX-STQMWFEESA-N 0 0 234.339 3.768 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)O[C@H](C)C(C)C)c1 ZINC000763552156 585450613 /nfs/dbraw/zinc/45/06/13/585450613.db2.gz BVPIJGQHTZBEPF-CHWSQXEVSA-N 0 0 234.339 3.686 20 0 BHADRN Cc1cccc([C@@H](C)C(=O)O[C@@H](C)C(C)C)c1 ZINC000763552159 585450574 /nfs/dbraw/zinc/45/05/74/585450574.db2.gz BVPIJGQHTZBEPF-OLZOCXBDSA-N 0 0 234.339 3.686 20 0 BHADRN Cc1cccc([C@H](C)C(=O)O[C@H](C)C(C)C)c1 ZINC000763552163 585450461 /nfs/dbraw/zinc/45/04/61/585450461.db2.gz BVPIJGQHTZBEPF-QWHCGFSZSA-N 0 0 234.339 3.686 20 0 BHADRN Cc1cccc([C@H](C)C(=O)O[C@@H](C)C(C)C)c1 ZINC000763552165 585450546 /nfs/dbraw/zinc/45/05/46/585450546.db2.gz BVPIJGQHTZBEPF-STQMWFEESA-N 0 0 234.339 3.686 20 0 BHADRN Cc1cccc(C2(C(=O)O[C@H](C)C(C)C)CC2)c1 ZINC000763552257 585450567 /nfs/dbraw/zinc/45/05/67/585450567.db2.gz CSKGSELUEPFJIB-CYBMUJFWSA-N 0 0 246.350 3.614 20 0 BHADRN Cc1cccc(C2(C(=O)O[C@@H](C)C(C)C)CC2)c1 ZINC000763552262 585450516 /nfs/dbraw/zinc/45/05/16/585450516.db2.gz CSKGSELUEPFJIB-ZDUSSCGKSA-N 0 0 246.350 3.614 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1cccc(F)c1Cl ZINC000763552463 585450561 /nfs/dbraw/zinc/45/05/61/585450561.db2.gz VGYVMFWQQHKKDN-MRVPVSSYSA-N 0 0 244.693 3.680 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1cccc(F)c1Cl ZINC000763552464 585450511 /nfs/dbraw/zinc/45/05/11/585450511.db2.gz VGYVMFWQQHKKDN-QMMMGPOBSA-N 0 0 244.693 3.680 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1cc2occc2s1 ZINC000763553184 585450419 /nfs/dbraw/zinc/45/04/19/585450419.db2.gz KJIXDMJQOJHEBL-MRVPVSSYSA-N 0 0 238.308 3.696 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1cc2occc2s1 ZINC000763553187 585450457 /nfs/dbraw/zinc/45/04/57/585450457.db2.gz KJIXDMJQOJHEBL-QMMMGPOBSA-N 0 0 238.308 3.696 20 0 BHADRN CC(C)[C@@H](C)OC(=O)CCCc1ccccc1 ZINC000763553768 585450606 /nfs/dbraw/zinc/45/06/06/585450606.db2.gz KAKPVVXJBAVAJV-CYBMUJFWSA-N 0 0 234.339 3.597 20 0 BHADRN CC(C)[C@H](C)OC(=O)CCCc1ccccc1 ZINC000763553771 585450591 /nfs/dbraw/zinc/45/05/91/585450591.db2.gz KAKPVVXJBAVAJV-ZDUSSCGKSA-N 0 0 234.339 3.597 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1cccc(C(F)F)c1 ZINC000763554183 585450839 /nfs/dbraw/zinc/45/08/39/585450839.db2.gz OGEYXOCBNBKFES-SECBINFHSA-N 0 0 242.265 3.826 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1cccc(C(F)F)c1 ZINC000763554185 585450643 /nfs/dbraw/zinc/45/06/43/585450643.db2.gz OGEYXOCBNBKFES-VIFPVBQESA-N 0 0 242.265 3.826 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1c(F)cccc1Cl ZINC000763554752 585450788 /nfs/dbraw/zinc/45/07/88/585450788.db2.gz XKUFOLPOZPNVKM-MRVPVSSYSA-N 0 0 244.693 3.680 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1c(F)cccc1Cl ZINC000763554754 585450636 /nfs/dbraw/zinc/45/06/36/585450636.db2.gz XKUFOLPOZPNVKM-QMMMGPOBSA-N 0 0 244.693 3.680 20 0 BHADRN CCCC1(C(=O)O[C@H](C)C(C)C)CCC1 ZINC000763555550 585450793 /nfs/dbraw/zinc/45/07/93/585450793.db2.gz YENDSXGZWSHBJO-LLVKDONJSA-N 0 0 212.333 3.545 20 0 BHADRN CCCC1(C(=O)O[C@@H](C)C(C)C)CCC1 ZINC000763555551 585450664 /nfs/dbraw/zinc/45/06/64/585450664.db2.gz YENDSXGZWSHBJO-NSHDSACASA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)C1CCN(C/C(Cl)=C/Cl)CC1 ZINC000763558089 585450823 /nfs/dbraw/zinc/45/08/23/585450823.db2.gz IZVRBVWNZUWLLW-XFFZJAGNSA-N 0 0 236.186 3.673 20 0 BHADRN CC(C)C1CCN(C/C(Cl)=C\Cl)CC1 ZINC000763558090 585450805 /nfs/dbraw/zinc/45/08/05/585450805.db2.gz IZVRBVWNZUWLLW-YRNVUSSQSA-N 0 0 236.186 3.673 20 0 BHADRN CC[C@@]1(C)CCCN(C/C(Cl)=C/Cl)C1 ZINC000763558268 585450847 /nfs/dbraw/zinc/45/08/47/585450847.db2.gz SHUAOPZSTWDZIN-BRNRAETOSA-N 0 0 236.186 3.818 20 0 BHADRN CC[C@@]1(C)CCCN(C/C(Cl)=C\Cl)C1 ZINC000763558270 585450702 /nfs/dbraw/zinc/45/07/02/585450702.db2.gz SHUAOPZSTWDZIN-HUYFXPKMSA-N 0 0 236.186 3.818 20 0 BHADRN CC[C@]1(C)CCCN(C/C(Cl)=C\Cl)C1 ZINC000763558271 585450714 /nfs/dbraw/zinc/45/07/14/585450714.db2.gz SHUAOPZSTWDZIN-PFEDMVJOSA-N 0 0 236.186 3.818 20 0 BHADRN CC[C@]1(C)CCCN(C/C(Cl)=C/Cl)C1 ZINC000763558273 585450768 /nfs/dbraw/zinc/45/07/68/585450768.db2.gz SHUAOPZSTWDZIN-ZJRUKIMVSA-N 0 0 236.186 3.818 20 0 BHADRN CC(C)[C@@H](C)OC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000763560698 584922743 /nfs/dbraw/zinc/92/27/43/584922743.db2.gz FZJBXQVHZWKGME-SECBINFHSA-N 0 0 249.285 3.508 20 0 BHADRN CC(C)[C@H](C)OC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000763560703 584922740 /nfs/dbraw/zinc/92/27/40/584922740.db2.gz FZJBXQVHZWKGME-VIFPVBQESA-N 0 0 249.285 3.508 20 0 BHADRN Cl/C=C(/Cl)CN1CC[C@@H]1c1ccccc1 ZINC000763561732 585450724 /nfs/dbraw/zinc/45/07/24/585450724.db2.gz UPHSVAILVCCWGU-JATZPVMKSA-N 0 0 242.149 3.752 20 0 BHADRN Cl/C=C(\Cl)CN1CC[C@H]1c1ccccc1 ZINC000763561733 585450670 /nfs/dbraw/zinc/45/06/70/585450670.db2.gz UPHSVAILVCCWGU-KGTBHZDVSA-N 0 0 242.149 3.752 20 0 BHADRN Cl/C=C(\Cl)CN1CC[C@@H]1c1ccccc1 ZINC000763561734 585450749 /nfs/dbraw/zinc/45/07/49/585450749.db2.gz UPHSVAILVCCWGU-NXIHDVOMSA-N 0 0 242.149 3.752 20 0 BHADRN Cl/C=C(/Cl)CN1CC[C@H]1c1ccccc1 ZINC000763561735 585450711 /nfs/dbraw/zinc/45/07/11/585450711.db2.gz UPHSVAILVCCWGU-OBIHZWKSSA-N 0 0 242.149 3.752 20 0 BHADRN C[C@H]1c2ccccc2CN1C/C(Cl)=C\Cl ZINC000763568839 585451089 /nfs/dbraw/zinc/45/10/89/585451089.db2.gz YQCZGIVHMQLJCK-CAXXOGMASA-N 0 0 242.149 3.882 20 0 BHADRN C[C@H]1c2ccccc2CN1C/C(Cl)=C/Cl ZINC000763568840 585451106 /nfs/dbraw/zinc/45/11/06/585451106.db2.gz YQCZGIVHMQLJCK-ISAHRAOESA-N 0 0 242.149 3.882 20 0 BHADRN C[C@@H]1c2ccccc2CN1C/C(Cl)=C/Cl ZINC000763568842 585450943 /nfs/dbraw/zinc/45/09/43/585450943.db2.gz YQCZGIVHMQLJCK-NJQKBMNKSA-N 0 0 242.149 3.882 20 0 BHADRN C[C@@H]1c2ccccc2CN1C/C(Cl)=C\Cl ZINC000763568844 585451097 /nfs/dbraw/zinc/45/10/97/585451097.db2.gz YQCZGIVHMQLJCK-VKRGWIQLSA-N 0 0 242.149 3.882 20 0 BHADRN CCC[C@@H]1CCCN(C/C(Cl)=C/Cl)C1 ZINC000763588337 585451063 /nfs/dbraw/zinc/45/10/63/585451063.db2.gz FKTWWOKKQYIWQL-PAKSIRSJSA-N 0 0 236.186 3.818 20 0 BHADRN CCC[C@H]1CCCN(C/C(Cl)=C/Cl)C1 ZINC000763588338 585450979 /nfs/dbraw/zinc/45/09/79/585450979.db2.gz FKTWWOKKQYIWQL-QBQSQJOESA-N 0 0 236.186 3.818 20 0 BHADRN CCC[C@@H]1CCCN(C/C(Cl)=C\Cl)C1 ZINC000763588339 585451154 /nfs/dbraw/zinc/45/11/54/585451154.db2.gz FKTWWOKKQYIWQL-UEUZTHOGSA-N 0 0 236.186 3.818 20 0 BHADRN CCC[C@H]1CCCN(C/C(Cl)=C\Cl)C1 ZINC000763588340 585451035 /nfs/dbraw/zinc/45/10/35/585451035.db2.gz FKTWWOKKQYIWQL-VUBLIPMDSA-N 0 0 236.186 3.818 20 0 BHADRN CC(C)=CC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000763619436 585451298 /nfs/dbraw/zinc/45/12/98/585451298.db2.gz WSBJFNNNOIMINN-CYBMUJFWSA-N 0 0 215.340 3.572 20 0 BHADRN CC(C)=CC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000763619437 585451228 /nfs/dbraw/zinc/45/12/28/585451228.db2.gz WSBJFNNNOIMINN-ZDUSSCGKSA-N 0 0 215.340 3.572 20 0 BHADRN CCCSc1ccc(COC(=O)CC)cc1 ZINC000763642730 585451247 /nfs/dbraw/zinc/45/12/47/585451247.db2.gz XSKQEMZYFHGVDA-UHFFFAOYSA-N 0 0 238.352 3.642 20 0 BHADRN CS/C=C\C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000763742822 585453759 /nfs/dbraw/zinc/45/37/59/585453759.db2.gz NETGVOWGWNZOLG-KTKRTIGZSA-N 0 0 249.379 3.650 20 0 BHADRN CS/C=C/C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000763742826 585453728 /nfs/dbraw/zinc/45/37/28/585453728.db2.gz NETGVOWGWNZOLG-MDZDMXLPSA-N 0 0 249.379 3.650 20 0 BHADRN CC(C)c1ccc(N(C)C(=O)C2CCCC2)cc1 ZINC000763743431 585453693 /nfs/dbraw/zinc/45/36/93/585453693.db2.gz PHLQZSPUQHJURR-UHFFFAOYSA-N 0 0 245.366 3.963 20 0 BHADRN CCCCC(=O)N(C)c1ccc(C(C)C)cc1 ZINC000763743558 585453409 /nfs/dbraw/zinc/45/34/09/585453409.db2.gz JBAVPFPSYSBLNP-UHFFFAOYSA-N 0 0 233.355 3.963 20 0 BHADRN CC(C)c1ccc(N(C)C(=O)CC2CCC2)cc1 ZINC000763743962 585453756 /nfs/dbraw/zinc/45/37/56/585453756.db2.gz XXORUMVDXILQAS-UHFFFAOYSA-N 0 0 245.366 3.963 20 0 BHADRN CCC1(C(=O)N(C)c2ccc(C(C)C)cc2)CC1 ZINC000763744114 585453473 /nfs/dbraw/zinc/45/34/73/585453473.db2.gz NETCVLFFZQFQKV-UHFFFAOYSA-N 0 0 245.366 3.963 20 0 BHADRN CC(C)c1ccc(N(C)C(=O)CCC2CC2)cc1 ZINC000763744328 585453681 /nfs/dbraw/zinc/45/36/81/585453681.db2.gz RIMZGKXWGOVRMB-UHFFFAOYSA-N 0 0 245.366 3.963 20 0 BHADRN CCCCCCC(=O)N1CCc2c1cccc2F ZINC000763754465 585453808 /nfs/dbraw/zinc/45/38/08/585453808.db2.gz RLVUUJCQGNGNNG-UHFFFAOYSA-N 0 0 249.329 3.685 20 0 BHADRN C/C=C/C=C\C(=O)Nc1cc(F)cc(Cl)c1 ZINC000763763236 585454136 /nfs/dbraw/zinc/45/41/36/585454136.db2.gz GUFCWQZXXLRAQD-IAROGAJJSA-N 0 0 239.677 3.550 20 0 BHADRN C/C(=C/C(=O)NC1CCC(C(C)C)CC1)C1CC1 ZINC000763798952 585454543 /nfs/dbraw/zinc/45/45/43/585454543.db2.gz DMBVFLSVIIYAMS-BENRWUELSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C\C(=O)NC1CCC(C(C)C)CC1)C1CC1 ZINC000763798953 585454726 /nfs/dbraw/zinc/45/47/26/585454726.db2.gz DMBVFLSVIIYAMS-ZRDIBKRKSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C)C1CCC(NC(=O)C=C2CCCC2)CC1 ZINC000763798993 585454716 /nfs/dbraw/zinc/45/47/16/585454716.db2.gz GBLLWAFIRIQBEX-UHFFFAOYSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C=C(/C)C(=O)NC1CCC(C(C)C)CC1 ZINC000763800342 585454717 /nfs/dbraw/zinc/45/47/17/585454717.db2.gz MZGKKMIIRPPTEK-SDQBBNPISA-N 0 0 237.387 3.674 20 0 BHADRN CC/C=C(\C)C(=O)NC1CCC(C(C)C)CC1 ZINC000763800343 585454709 /nfs/dbraw/zinc/45/47/09/585454709.db2.gz MZGKKMIIRPPTEK-WUXMJOGZSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=C(C)C(=O)NC1CCC(C(C)C)CC1 ZINC000763800483 585454591 /nfs/dbraw/zinc/45/45/91/585454591.db2.gz VUPXXJLJTIZPGJ-UHFFFAOYSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C=C\C(=O)NC1CCC(C(C)C)CC1 ZINC000763800569 585454626 /nfs/dbraw/zinc/45/46/26/585454626.db2.gz YDCSFEGGDLRIPG-SREVYHEPSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C=C/C(=O)NC1CCC(C(C)C)CC1 ZINC000763800570 585454699 /nfs/dbraw/zinc/45/46/99/585454699.db2.gz YDCSFEGGDLRIPG-VOTSOKGWSA-N 0 0 237.387 3.674 20 0 BHADRN CN(C/C=C\Cl)Cc1ccc(F)c(Cl)c1 ZINC000763824504 585454804 /nfs/dbraw/zinc/45/48/04/585454804.db2.gz LOZDLLJHHGRRFH-DJWKRKHSSA-N 0 0 248.128 3.663 20 0 BHADRN CN(C/C=C/Cl)Cc1ccc(F)c(Cl)c1 ZINC000763824505 585454758 /nfs/dbraw/zinc/45/47/58/585454758.db2.gz LOZDLLJHHGRRFH-GORDUTHDSA-N 0 0 248.128 3.663 20 0 BHADRN CCC[C@@H](C(=O)OCCC(F)(F)F)C(C)C ZINC000763845509 585454973 /nfs/dbraw/zinc/45/49/73/585454973.db2.gz KULNGRRYXOYEOR-SECBINFHSA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@H](C(=O)OCCC(F)(F)F)C(C)C ZINC000763845511 585455010 /nfs/dbraw/zinc/45/50/10/585455010.db2.gz KULNGRRYXOYEOR-VIFPVBQESA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@@H](C(=O)O[C@@H](C)c1ccncc1)C(C)C ZINC000763850319 585455295 /nfs/dbraw/zinc/45/52/95/585455295.db2.gz JAPJLGAPGSALDA-GXTWGEPZSA-N 0 0 249.354 3.758 20 0 BHADRN CCC[C@H](C(=O)O[C@@H](C)c1ccncc1)C(C)C ZINC000763850329 585455258 /nfs/dbraw/zinc/45/52/58/585455258.db2.gz JAPJLGAPGSALDA-JSGCOSHPSA-N 0 0 249.354 3.758 20 0 BHADRN CCC[C@H](C(=O)O[C@H](C)c1ccncc1)C(C)C ZINC000763850336 585455364 /nfs/dbraw/zinc/45/53/64/585455364.db2.gz JAPJLGAPGSALDA-OCCSQVGLSA-N 0 0 249.354 3.758 20 0 BHADRN CCC[C@@H](C(=O)O[C@H](C)c1ccncc1)C(C)C ZINC000763850343 585455222 /nfs/dbraw/zinc/45/52/22/585455222.db2.gz JAPJLGAPGSALDA-TZMCWYRMSA-N 0 0 249.354 3.758 20 0 BHADRN CCC[C@H](C(=O)OCc1ccc(C)cn1)C(C)C ZINC000763853792 585455218 /nfs/dbraw/zinc/45/52/18/585455218.db2.gz JCXSZANINJJYSA-AWEZNQCLSA-N 0 0 249.354 3.506 20 0 BHADRN CCC[C@@H](C(=O)OCc1ccc(C)cn1)C(C)C ZINC000763853793 585455382 /nfs/dbraw/zinc/45/53/82/585455382.db2.gz JCXSZANINJJYSA-CQSZACIVSA-N 0 0 249.354 3.506 20 0 BHADRN CCC[C@H](C(=O)OCc1cnccc1C)C(C)C ZINC000763855130 585455260 /nfs/dbraw/zinc/45/52/60/585455260.db2.gz WLZHWKGSLQCTGE-AWEZNQCLSA-N 0 0 249.354 3.506 20 0 BHADRN CCC[C@@H](C(=O)OCc1cnccc1C)C(C)C ZINC000763855135 585455352 /nfs/dbraw/zinc/45/53/52/585455352.db2.gz WLZHWKGSLQCTGE-CQSZACIVSA-N 0 0 249.354 3.506 20 0 BHADRN O=C(OCC1CC1)c1c(Cl)cccc1Cl ZINC000763867076 585455488 /nfs/dbraw/zinc/45/54/88/585455488.db2.gz RHOWBKXMRHJCFP-UHFFFAOYSA-N 0 0 245.105 3.560 20 0 BHADRN CCCCCCC(=O)OC/C(Cl)=C/Cl ZINC000763934971 585456566 /nfs/dbraw/zinc/45/65/66/585456566.db2.gz YEARJGOVXQKGMX-CLFYSBASSA-N 0 0 239.142 3.819 20 0 BHADRN CCCCCCC(=O)OC/C(Cl)=C\Cl ZINC000763934972 585456629 /nfs/dbraw/zinc/45/66/29/585456629.db2.gz YEARJGOVXQKGMX-VQHVLOKHSA-N 0 0 239.142 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)OC/C(Cl)=C\Cl ZINC000763948861 585457639 /nfs/dbraw/zinc/45/76/39/585457639.db2.gz JFXQFXUUQVOJQV-LDFAFZTOSA-N 0 0 237.126 3.595 20 0 BHADRN CCC/C(C)=C/C(=O)OC/C(Cl)=C/Cl ZINC000763948862 585457720 /nfs/dbraw/zinc/45/77/20/585457720.db2.gz JFXQFXUUQVOJQV-OWNHSFIXSA-N 0 0 237.126 3.595 20 0 BHADRN CCC/C(C)=C\C(=O)OC/C(Cl)=C/Cl ZINC000763948863 585457710 /nfs/dbraw/zinc/45/77/10/585457710.db2.gz JFXQFXUUQVOJQV-VVRUXRSYSA-N 0 0 237.126 3.595 20 0 BHADRN CCC/C(C)=C/C(=O)OC/C(Cl)=C\Cl ZINC000763948864 585457559 /nfs/dbraw/zinc/45/75/59/585457559.db2.gz JFXQFXUUQVOJQV-XVYDYJIPSA-N 0 0 237.126 3.595 20 0 BHADRN CCC[C@H](C)CC(=O)OC/C(Cl)=C/Cl ZINC000763957092 585457740 /nfs/dbraw/zinc/45/77/40/585457740.db2.gz WXNVAIXKARTVGA-HWPCKVLBSA-N 0 0 239.142 3.675 20 0 BHADRN CCC[C@@H](C)CC(=O)OC/C(Cl)=C/Cl ZINC000763957093 585457509 /nfs/dbraw/zinc/45/75/09/585457509.db2.gz WXNVAIXKARTVGA-WSQKDGNHSA-N 0 0 239.142 3.675 20 0 BHADRN O=C(CC1=CCCCC1)OC/C(Cl)=C\Cl ZINC000763969331 585458006 /nfs/dbraw/zinc/45/80/06/585458006.db2.gz QSCZHUFJFWNWFU-JXMROGBWSA-N 0 0 249.137 3.739 20 0 BHADRN O=C(CC1=CCCCC1)OC/C(Cl)=C/Cl ZINC000763969335 585457941 /nfs/dbraw/zinc/45/79/41/585457941.db2.gz QSCZHUFJFWNWFU-YFHOEESVSA-N 0 0 249.137 3.739 20 0 BHADRN C[C@H](C(=O)OC/C(Cl)=C/Cl)C(C)(C)C ZINC000763969946 585458109 /nfs/dbraw/zinc/45/81/09/585458109.db2.gz OHSPTBQXLISSLN-BESBCXERSA-N 0 0 239.142 3.531 20 0 BHADRN C[C@@H](C(=O)OC/C(Cl)=C/Cl)C(C)(C)C ZINC000763969948 585458078 /nfs/dbraw/zinc/45/80/78/585458078.db2.gz OHSPTBQXLISSLN-BJMRUTCWSA-N 0 0 239.142 3.531 20 0 BHADRN C[C@H](C(=O)OC/C(Cl)=C\Cl)C(C)(C)C ZINC000763969951 585458023 /nfs/dbraw/zinc/45/80/23/585458023.db2.gz OHSPTBQXLISSLN-KBUNYLKBSA-N 0 0 239.142 3.531 20 0 BHADRN C[C@@H](C(=O)OC/C(Cl)=C\Cl)C(C)(C)C ZINC000763969953 585458074 /nfs/dbraw/zinc/45/80/74/585458074.db2.gz OHSPTBQXLISSLN-QAZRXNLGSA-N 0 0 239.142 3.531 20 0 BHADRN CC(C)(C)CCC(=O)OC/C(Cl)=C\Cl ZINC000763980677 585458229 /nfs/dbraw/zinc/45/82/29/585458229.db2.gz FWQPCHFQGYTNTN-SOFGYWHQSA-N 0 0 239.142 3.675 20 0 BHADRN CC(C)(C)CCC(=O)OC/C(Cl)=C/Cl ZINC000763980681 585458328 /nfs/dbraw/zinc/45/83/28/585458328.db2.gz FWQPCHFQGYTNTN-VURMDHGXSA-N 0 0 239.142 3.675 20 0 BHADRN CCC(C)(C)CC(=O)OC/C(Cl)=C\Cl ZINC000763987698 585458333 /nfs/dbraw/zinc/45/83/33/585458333.db2.gz DVURFAOTQZRTGW-SOFGYWHQSA-N 0 0 239.142 3.675 20 0 BHADRN CCC(C)(C)CC(=O)OC/C(Cl)=C/Cl ZINC000763987701 585458317 /nfs/dbraw/zinc/45/83/17/585458317.db2.gz DVURFAOTQZRTGW-VURMDHGXSA-N 0 0 239.142 3.675 20 0 BHADRN CC(C(=O)OC/C(Cl)=C/Cl)=C1CCCC1 ZINC000763988396 585458326 /nfs/dbraw/zinc/45/83/26/585458326.db2.gz HVDKHVLVZSTVIT-POHAHGRESA-N 0 0 249.137 3.739 20 0 BHADRN CC(C(=O)OC/C(Cl)=C\Cl)=C1CCCC1 ZINC000763988398 585457937 /nfs/dbraw/zinc/45/79/37/585457937.db2.gz HVDKHVLVZSTVIT-UXBLZVDNSA-N 0 0 249.137 3.739 20 0 BHADRN CCC(CC)CC(=O)OC/C(Cl)=C\Cl ZINC000764006295 585458625 /nfs/dbraw/zinc/45/86/25/585458625.db2.gz HLWJBBUZZNXVJK-RMKNXTFCSA-N 0 0 239.142 3.675 20 0 BHADRN CCC(CC)CC(=O)OC/C(Cl)=C/Cl ZINC000764006296 585458821 /nfs/dbraw/zinc/45/88/21/585458821.db2.gz HLWJBBUZZNXVJK-TWGQIWQCSA-N 0 0 239.142 3.675 20 0 BHADRN CCC(=CC(=O)OC/C(Cl)=C\Cl)CC ZINC000764008887 585458734 /nfs/dbraw/zinc/45/87/34/585458734.db2.gz RRXVLYAJZMKMOE-RMKNXTFCSA-N 0 0 237.126 3.595 20 0 BHADRN CCC(=CC(=O)OC/C(Cl)=C/Cl)CC ZINC000764008888 585458787 /nfs/dbraw/zinc/45/87/87/585458787.db2.gz RRXVLYAJZMKMOE-TWGQIWQCSA-N 0 0 237.126 3.595 20 0 BHADRN Cc1cc(Cl)cc(C(=O)OC/C=C\Cl)c1 ZINC000764072845 585459449 /nfs/dbraw/zinc/45/94/49/585459449.db2.gz ZOWXXYHZFMXOKN-IHWYPQMZSA-N 0 0 245.105 3.558 20 0 BHADRN Cc1cc(Cl)cc(C(=O)OC/C=C/Cl)c1 ZINC000764072846 585459349 /nfs/dbraw/zinc/45/93/49/585459349.db2.gz ZOWXXYHZFMXOKN-NSCUHMNNSA-N 0 0 245.105 3.558 20 0 BHADRN C[C@H](C(=O)OCC1(C)CCC1)c1ccsc1 ZINC000764101512 585459878 /nfs/dbraw/zinc/45/98/78/585459878.db2.gz XNUNFQDTJCICGT-JTQLQIEISA-N 0 0 238.352 3.585 20 0 BHADRN C[C@@H](C(=O)OCC1(C)CCC1)c1ccsc1 ZINC000764101513 585459775 /nfs/dbraw/zinc/45/97/75/585459775.db2.gz XNUNFQDTJCICGT-SNVBAGLBSA-N 0 0 238.352 3.585 20 0 BHADRN CC1(COC(=O)c2cccc3cc[nH]c32)CCC1 ZINC000764102149 585459770 /nfs/dbraw/zinc/45/97/70/585459770.db2.gz PKWYLDFYKHRCBU-UHFFFAOYSA-N 0 0 243.306 3.515 20 0 BHADRN CC(C)c1ccc(C(=O)OCC2(C)CCC2)cn1 ZINC000764102440 585459741 /nfs/dbraw/zinc/45/97/41/585459741.db2.gz RCFSRDLOCWGLCL-UHFFFAOYSA-N 0 0 247.338 3.552 20 0 BHADRN C[C@@H](C(=O)OCC1(C)CCC1)c1ccccc1 ZINC000764121690 585460533 /nfs/dbraw/zinc/46/05/33/585460533.db2.gz RAYBEKDEZYDMAH-GFCCVEGCSA-N 0 0 232.323 3.524 20 0 BHADRN CC1(COC(=O)C2CCC(F)(F)CC2)CCC1 ZINC000764122067 585460392 /nfs/dbraw/zinc/46/03/92/585460392.db2.gz VCQVVEMYLRIZDQ-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN CC(C)c1cccc(C(=O)OCC2(C)CCC2)n1 ZINC000764124006 585460595 /nfs/dbraw/zinc/46/05/95/585460595.db2.gz GXWWRAPGUGRVNM-UHFFFAOYSA-N 0 0 247.338 3.552 20 0 BHADRN CC1(COC(=O)c2cc3ccsc3[nH]2)CCC1 ZINC000764125278 585460565 /nfs/dbraw/zinc/46/05/65/585460565.db2.gz NSTDWYTXJHGAPM-UHFFFAOYSA-N 0 0 249.335 3.576 20 0 BHADRN C[C@H](C(=O)OCC1(C)CCC1)c1cccs1 ZINC000764125579 585460412 /nfs/dbraw/zinc/46/04/12/585460412.db2.gz PQEBXJLQQRTTFS-JTQLQIEISA-N 0 0 238.352 3.585 20 0 BHADRN C[C@@H](C(=O)OCC1(C)CCC1)c1cccs1 ZINC000764125580 585460399 /nfs/dbraw/zinc/46/03/99/585460399.db2.gz PQEBXJLQQRTTFS-SNVBAGLBSA-N 0 0 238.352 3.585 20 0 BHADRN C[C@H](C(=O)OCC1(C)CCC1)c1ccccc1 ZINC000764125704 585460508 /nfs/dbraw/zinc/46/05/08/585460508.db2.gz RAYBEKDEZYDMAH-LBPRGKRZSA-N 0 0 232.323 3.524 20 0 BHADRN CC1(COC(=O)c2ccccc2Cl)CCC1 ZINC000764128762 585460704 /nfs/dbraw/zinc/46/07/04/585460704.db2.gz IYTMAWBKENAVAU-UHFFFAOYSA-N 0 0 238.714 3.687 20 0 BHADRN CCCCS[C@H](C)C(=O)OCC1(C)CCC1 ZINC000764129256 585460624 /nfs/dbraw/zinc/46/06/24/585460624.db2.gz OAJFTOKZHOCNBA-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CCCCS[C@@H](C)C(=O)OCC1(C)CCC1 ZINC000764129257 585460810 /nfs/dbraw/zinc/46/08/10/585460810.db2.gz OAJFTOKZHOCNBA-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CCC[C@@H](C(=O)OC1CCCC1)C(C)C ZINC000764140746 585460669 /nfs/dbraw/zinc/46/06/69/585460669.db2.gz LGINTFSJLOOFBX-GFCCVEGCSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@H](C(=O)OC1CCCC1)C(C)C ZINC000764140748 585460609 /nfs/dbraw/zinc/46/06/09/585460609.db2.gz LGINTFSJLOOFBX-LBPRGKRZSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@@H](C(=O)Oc1ccccc1F)C(C)C ZINC000764141021 585460777 /nfs/dbraw/zinc/46/07/77/585460777.db2.gz SKYVHKRPCXQEBY-LLVKDONJSA-N 0 0 238.302 3.803 20 0 BHADRN CCC[C@H](C(=O)Oc1ccccc1F)C(C)C ZINC000764141023 585460653 /nfs/dbraw/zinc/46/06/53/585460653.db2.gz SKYVHKRPCXQEBY-NSHDSACASA-N 0 0 238.302 3.803 20 0 BHADRN CS/C=C/C(=O)Oc1ccccc1C(C)C ZINC000764222645 585461769 /nfs/dbraw/zinc/46/17/69/585461769.db2.gz FMJGCSOAUKNVGW-CMDGGOBGSA-N 0 0 236.336 3.592 20 0 BHADRN CS/C=C\C(=O)Oc1ccccc1C(C)C ZINC000764222647 585461793 /nfs/dbraw/zinc/46/17/93/585461793.db2.gz FMJGCSOAUKNVGW-HJWRWDBZSA-N 0 0 236.336 3.592 20 0 BHADRN CC(C)c1ccc(C(=O)OCCC2(C)CC2)cn1 ZINC000764223241 585461826 /nfs/dbraw/zinc/46/18/26/585461826.db2.gz MEDZWLJKUHGNCW-UHFFFAOYSA-N 0 0 247.338 3.552 20 0 BHADRN CC1(CCOC(=O)c2cccc3cc[nH]c32)CC1 ZINC000764223262 585461744 /nfs/dbraw/zinc/46/17/44/585461744.db2.gz MPUADAGHWRAGQK-UHFFFAOYSA-N 0 0 243.306 3.515 20 0 BHADRN CS/C=C/C(=O)Oc1ccc(C(C)C)cc1 ZINC000764224874 585461809 /nfs/dbraw/zinc/46/18/09/585461809.db2.gz CRHSHSFBKAIBTD-CMDGGOBGSA-N 0 0 236.336 3.592 20 0 BHADRN CS/C=C\C(=O)Oc1ccc(C(C)C)cc1 ZINC000764224876 585461819 /nfs/dbraw/zinc/46/18/19/585461819.db2.gz CRHSHSFBKAIBTD-HJWRWDBZSA-N 0 0 236.336 3.592 20 0 BHADRN C[C@H](C(=O)OCCC1(C)CC1)c1ccsc1 ZINC000764229781 585461968 /nfs/dbraw/zinc/46/19/68/585461968.db2.gz YQSQINFAZLQUDZ-JTQLQIEISA-N 0 0 238.352 3.585 20 0 BHADRN C[C@@H](C(=O)OCCC1(C)CC1)c1ccsc1 ZINC000764229782 585462101 /nfs/dbraw/zinc/46/21/01/585462101.db2.gz YQSQINFAZLQUDZ-SNVBAGLBSA-N 0 0 238.352 3.585 20 0 BHADRN C[C@@H](C(=O)OCCC1(C)CC1)c1ccccc1 ZINC000764239214 585462343 /nfs/dbraw/zinc/46/23/43/585462343.db2.gz DJVAOGOTXNUOTJ-GFCCVEGCSA-N 0 0 232.323 3.524 20 0 BHADRN CC1(CCOC(=O)C2CCC(F)(F)CC2)CC1 ZINC000764239909 585462627 /nfs/dbraw/zinc/46/26/27/585462627.db2.gz JJEYOXYPNNMINK-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN CC1(CCOC(=O)c2cc3ccsc3[nH]2)CC1 ZINC000764240224 585462749 /nfs/dbraw/zinc/46/27/49/585462749.db2.gz NAESTWHCZHOORT-UHFFFAOYSA-N 0 0 249.335 3.576 20 0 BHADRN CCC(C)(CC)C(=O)OCCC1(C)CC1 ZINC000764240560 585462504 /nfs/dbraw/zinc/46/25/04/585462504.db2.gz ROJZEALPYBAQSZ-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN CCCCS[C@H](C)C(=O)OCCC1(C)CC1 ZINC000764248514 585462981 /nfs/dbraw/zinc/46/29/81/585462981.db2.gz UBFOGOIRIRFUAH-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CCCCS[C@@H](C)C(=O)OCCC1(C)CC1 ZINC000764248515 585462913 /nfs/dbraw/zinc/46/29/13/585462913.db2.gz UBFOGOIRIRFUAH-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CC1(CCOC(=O)c2ccccc2Cl)CC1 ZINC000764250319 585462960 /nfs/dbraw/zinc/46/29/60/585462960.db2.gz ADUILHRHGDWRDJ-UHFFFAOYSA-N 0 0 238.714 3.687 20 0 BHADRN C[C@H](C(=O)OCCC1(C)CC1)c1ccccc1 ZINC000764251382 585462829 /nfs/dbraw/zinc/46/28/29/585462829.db2.gz DJVAOGOTXNUOTJ-LBPRGKRZSA-N 0 0 232.323 3.524 20 0 BHADRN C[C@H](C(=O)OCCC1(C)CC1)c1cccs1 ZINC000764252390 585462803 /nfs/dbraw/zinc/46/28/03/585462803.db2.gz HZIOSCSUBPPLJJ-JTQLQIEISA-N 0 0 238.352 3.585 20 0 BHADRN C[C@@H](C(=O)OCCC1(C)CC1)c1cccs1 ZINC000764252391 585462922 /nfs/dbraw/zinc/46/29/22/585462922.db2.gz HZIOSCSUBPPLJJ-SNVBAGLBSA-N 0 0 238.352 3.585 20 0 BHADRN CS/C=C\C(=O)N(c1ccccc1C)C(C)C ZINC000764254867 585462893 /nfs/dbraw/zinc/46/28/93/585462893.db2.gz SXYIWRACMWEOIN-KTKRTIGZSA-N 0 0 249.379 3.613 20 0 BHADRN CS/C=C/C(=O)N(c1ccccc1C)C(C)C ZINC000764254868 585462915 /nfs/dbraw/zinc/46/29/15/585462915.db2.gz SXYIWRACMWEOIN-MDZDMXLPSA-N 0 0 249.379 3.613 20 0 BHADRN CC(C)c1cccc(C(=O)OCCC2(C)CC2)n1 ZINC000764255164 585463031 /nfs/dbraw/zinc/46/30/31/585463031.db2.gz SOSXJJBYLANQGR-UHFFFAOYSA-N 0 0 247.338 3.552 20 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CCC[C@H](C(=O)O[C@@H](C)C(F)(F)F)C(C)C ZINC000764275279 585463494 /nfs/dbraw/zinc/46/34/94/585463494.db2.gz IYDAPOWGVTVFIQ-IUCAKERBSA-N 0 0 240.265 3.553 20 0 BHADRN CCC[C@@H](C(=O)O[C@H](C)C(F)(F)F)C(C)C ZINC000764275281 585463327 /nfs/dbraw/zinc/46/33/27/585463327.db2.gz IYDAPOWGVTVFIQ-RKDXNWHRSA-N 0 0 240.265 3.553 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000764288832 585463437 /nfs/dbraw/zinc/46/34/37/585463437.db2.gz ADIMQOZXXBYJMJ-UHFFFAOYSA-N 0 0 241.693 3.774 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](C)c1cc(C)ccc1F ZINC000764326612 585463687 /nfs/dbraw/zinc/46/36/87/585463687.db2.gz NBAUIYORBYNFRZ-GULOHRGCSA-N 0 0 236.286 3.705 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)c1cc(C)ccc1F ZINC000764326613 585463697 /nfs/dbraw/zinc/46/36/97/585463697.db2.gz NBAUIYORBYNFRZ-IGLBNKAOSA-N 0 0 236.286 3.705 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](C)c1cc(C)ccc1F ZINC000764326615 585463732 /nfs/dbraw/zinc/46/37/32/585463732.db2.gz NBAUIYORBYNFRZ-UAWPZABVSA-N 0 0 236.286 3.705 20 0 BHADRN C/C=C(/C)C(=O)O[C@@H](C)c1cc(C)ccc1F ZINC000764326617 585463828 /nfs/dbraw/zinc/46/38/28/585463828.db2.gz NBAUIYORBYNFRZ-VQNWOSHQSA-N 0 0 236.286 3.705 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)C(C)(C)C)c1 ZINC000764331452 585463758 /nfs/dbraw/zinc/46/37/58/585463758.db2.gz HRYDHJLJQMCVPJ-JTQLQIEISA-N 0 0 238.302 3.784 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)C(C)(C)C)c1 ZINC000764331455 585463596 /nfs/dbraw/zinc/46/35/96/585463596.db2.gz HRYDHJLJQMCVPJ-SNVBAGLBSA-N 0 0 238.302 3.784 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)C2=CCCC2)c1 ZINC000764332534 585463590 /nfs/dbraw/zinc/46/35/90/585463590.db2.gz QVVNKYLKPFYNOR-LLVKDONJSA-N 0 0 248.297 3.849 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)C2=CCCC2)c1 ZINC000764332535 585463630 /nfs/dbraw/zinc/46/36/30/585463630.db2.gz QVVNKYLKPFYNOR-NSHDSACASA-N 0 0 248.297 3.849 20 0 BHADRN CC(C)=CC(=O)O[C@H](C)c1cc(C)ccc1F ZINC000764333057 585463553 /nfs/dbraw/zinc/46/35/53/585463553.db2.gz VEXSBUZYWPXEOA-LLVKDONJSA-N 0 0 236.286 3.705 20 0 BHADRN 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CC[C@@H](C)C(=O)O[C@@H](C)c1cc(C)ccc1F ZINC000764336631 585463577 /nfs/dbraw/zinc/46/35/77/585463577.db2.gz HLZIVAXQRKBOFN-MNOVXSKESA-N 0 0 238.302 3.784 20 0 BHADRN CC[C@H](C)C(=O)O[C@@H](C)c1cc(C)ccc1F ZINC000764336633 585463677 /nfs/dbraw/zinc/46/36/77/585463677.db2.gz HLZIVAXQRKBOFN-QWRGUYRKSA-N 0 0 238.302 3.784 20 0 BHADRN CC[C@H](C)C(=O)O[C@H](C)c1cc(C)ccc1F ZINC000764336635 585463599 /nfs/dbraw/zinc/46/35/99/585463599.db2.gz HLZIVAXQRKBOFN-WDEREUQCSA-N 0 0 238.302 3.784 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)c2ccoc2)c1 ZINC000764336702 585463665 /nfs/dbraw/zinc/46/36/65/585463665.db2.gz IUQHRWQOXZCDMA-JTQLQIEISA-N 0 0 248.253 3.645 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)c2ccoc2)c1 ZINC000764336703 585463645 /nfs/dbraw/zinc/46/36/45/585463645.db2.gz IUQHRWQOXZCDMA-SNVBAGLBSA-N 0 0 248.253 3.645 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)/C=C\C2CC2)c1 ZINC000764336978 585463761 /nfs/dbraw/zinc/46/37/61/585463761.db2.gz KGSPTILXFJNKGA-BPOWMSRESA-N 0 0 248.297 3.705 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)/C=C/C2CC2)c1 ZINC000764336980 585463793 /nfs/dbraw/zinc/46/37/93/585463793.db2.gz KGSPTILXFJNKGA-IOCXFXADSA-N 0 0 248.297 3.705 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)/C=C\C2CC2)c1 ZINC000764336981 585463679 /nfs/dbraw/zinc/46/36/79/585463679.db2.gz KGSPTILXFJNKGA-JYKYSHPRSA-N 0 0 248.297 3.705 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)/C=C/C2CC2)c1 ZINC000764336983 585463803 /nfs/dbraw/zinc/46/38/03/585463803.db2.gz KGSPTILXFJNKGA-LXSSAFMLSA-N 0 0 248.297 3.705 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)CC(C)C)c1 ZINC000764338287 585463644 /nfs/dbraw/zinc/46/36/44/585463644.db2.gz XZFRVNPRXCXFIN-LLVKDONJSA-N 0 0 238.302 3.784 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)CC(C)C)c1 ZINC000764338289 585463595 /nfs/dbraw/zinc/46/35/95/585463595.db2.gz XZFRVNPRXCXFIN-NSHDSACASA-N 0 0 238.302 3.784 20 0 BHADRN CCC/C=C\C(=O)Nc1nccc2sccc21 ZINC000764345264 585463984 /nfs/dbraw/zinc/46/39/84/585463984.db2.gz DUTVJIZQUBAVRF-PLNGDYQASA-N 0 0 246.335 3.591 20 0 BHADRN CCC/C=C/C(=O)Nc1nccc2sccc21 ZINC000764345266 585463850 /nfs/dbraw/zinc/46/38/50/585463850.db2.gz DUTVJIZQUBAVRF-SNAWJCMRSA-N 0 0 246.335 3.591 20 0 BHADRN CCCCCC(=O)O[C@H]1CCOc2ccccc21 ZINC000764369874 585463958 /nfs/dbraw/zinc/46/39/58/585463958.db2.gz SHSAHWWMCFJFBR-AWEZNQCLSA-N 0 0 248.322 3.634 20 0 BHADRN C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000764373272 585464165 /nfs/dbraw/zinc/46/41/65/585464165.db2.gz OVVRSPKPXJGZCL-GYPVXTSCSA-N 0 0 248.366 3.545 20 0 BHADRN Cc1ccc(/C=C\CC(=O)O[C@H](C)C2CC2)cc1 ZINC000764380881 585464174 /nfs/dbraw/zinc/46/41/74/585464174.db2.gz NVWAMKNWYUAFCM-DHCBQETCSA-N 0 0 244.334 3.740 20 0 BHADRN Cc1ccc(/C=C/CC(=O)O[C@H](C)C2CC2)cc1 ZINC000764380882 585464288 /nfs/dbraw/zinc/46/42/88/585464288.db2.gz NVWAMKNWYUAFCM-ITDFMYJTSA-N 0 0 244.334 3.740 20 0 BHADRN Cc1c2ccccc2oc1C(=O)O[C@H](C)C1CC1 ZINC000764381121 585464199 /nfs/dbraw/zinc/46/41/99/585464199.db2.gz QYZDMBICMKKDEK-SNVBAGLBSA-N 0 0 244.290 3.697 20 0 BHADRN 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CCC[C@H](C(=O)OC1(C2CC2)CC1)C(C)C ZINC000764662461 585470434 /nfs/dbraw/zinc/47/04/34/585470434.db2.gz GWOUHXIVBSUMHE-LBPRGKRZSA-N 0 0 224.344 3.545 20 0 BHADRN C/C=C(/C=C\C(=O)N(C)C1CCCCC1)CC ZINC000764667107 585470498 /nfs/dbraw/zinc/47/04/98/585470498.db2.gz PHERNNLYGXOWOK-VUTFRZENSA-N 0 0 235.371 3.690 20 0 BHADRN C/C=C(/C=C/C(=O)N(C)C1CCCCC1)CC ZINC000764667110 585470409 /nfs/dbraw/zinc/47/04/09/585470409.db2.gz PHERNNLYGXOWOK-XVLVUKPISA-N 0 0 235.371 3.690 20 0 BHADRN CCC1(C(=O)OCCCSC)CCCCC1 ZINC000764669301 585470793 /nfs/dbraw/zinc/47/07/93/585470793.db2.gz ZABVIZHCRCLZSM-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CCC1(C(=O)OC/C=C/Cl)CCCCC1 ZINC000764673870 585470532 /nfs/dbraw/zinc/47/05/32/585470532.db2.gz NJSMUGKEYTWGKW-RMKNXTFCSA-N 0 0 230.735 3.643 20 0 BHADRN CCC1(C(=O)OC/C=C\Cl)CCCCC1 ZINC000764673871 585470716 /nfs/dbraw/zinc/47/07/16/585470716.db2.gz NJSMUGKEYTWGKW-TWGQIWQCSA-N 0 0 230.735 3.643 20 0 BHADRN C/C=C(/C=C/C(=O)N[C@@H](C)CCC(C)C)CC ZINC000764677388 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ZINC000764774439 585472971 /nfs/dbraw/zinc/47/29/71/585472971.db2.gz WOFSLVDJYHGJLG-NUKHJWNISA-N 0 0 235.371 3.690 20 0 BHADRN C/C=C(/C=C\C(=O)N(CCCC)C1CC1)CC ZINC000764774440 585473063 /nfs/dbraw/zinc/47/30/63/585473063.db2.gz WOFSLVDJYHGJLG-RDDASKGTSA-N 0 0 235.371 3.690 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000764782043 585473162 /nfs/dbraw/zinc/47/31/62/585473162.db2.gz NTCPGTIMLGZFNA-IJLUTSLNSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CCC[C@H](C)C1)c1ccco1 ZINC000764782046 585473316 /nfs/dbraw/zinc/47/33/16/585473316.db2.gz NTCPGTIMLGZFNA-QJPTWQEYSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)[C@H]1CCC[C@H](C)C1)c1ccco1 ZINC000764782048 585473236 /nfs/dbraw/zinc/47/32/36/585473236.db2.gz NTCPGTIMLGZFNA-TUAOUCFPSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)[C@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000764782702 585473339 /nfs/dbraw/zinc/47/33/39/585473339.db2.gz NTCPGTIMLGZFNA-UTUOFQBUSA-N 0 0 236.311 3.710 20 0 BHADRN CC(C)n1cccc1C(=O)O[C@H](C)c1ccco1 ZINC000764782756 585473431 /nfs/dbraw/zinc/47/34/31/585473431.db2.gz OZYDPHFVCYZTCY-LLVKDONJSA-N 0 0 247.294 3.580 20 0 BHADRN C[C@@H](OC(=O)CC1=CCCCC1)c1ccco1 ZINC000764785724 585473469 /nfs/dbraw/zinc/47/34/69/585473469.db2.gz IRXXKUCJZZBXDV-LLVKDONJSA-N 0 0 234.295 3.774 20 0 BHADRN Cc1ccc(C(=O)O[C@H](C)c2ccco2)c(C)c1 ZINC000764785730 585473393 /nfs/dbraw/zinc/47/33/93/585473393.db2.gz IYMNKTJFKCJUDD-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN CC(C)C[C@H](C)CC(=O)O[C@H](C)c1ccco1 ZINC000764785932 585473363 /nfs/dbraw/zinc/47/33/63/585473363.db2.gz LXFVWOVYDKFDFU-NWDGAFQWSA-N 0 0 238.327 3.956 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)O[C@H](C)c1ccco1 ZINC000764785935 584928794 /nfs/dbraw/zinc/92/87/94/584928794.db2.gz LXFVWOVYDKFDFU-VXGBXAGGSA-N 0 0 238.327 3.956 20 0 BHADRN CCC1(C(=O)O[C@H](C)c2ccco2)CCCC1 ZINC000764785948 585473381 /nfs/dbraw/zinc/47/33/81/585473381.db2.gz MCEHBSMOJCOMCW-LLVKDONJSA-N 0 0 236.311 3.854 20 0 BHADRN CCC(C)(C)CC(=O)O[C@H](C)c1ccco1 ZINC000764786683 585473638 /nfs/dbraw/zinc/47/36/38/585473638.db2.gz OMTYXTKMQPYDLO-SNVBAGLBSA-N 0 0 224.300 3.710 20 0 BHADRN C[C@@H](OC(=O)CC1CCCCC1)c1ccco1 ZINC000764787627 585473580 /nfs/dbraw/zinc/47/35/80/585473580.db2.gz AFDJGPDZNALHBW-LLVKDONJSA-N 0 0 236.311 3.854 20 0 BHADRN Cc1cccc(C(=O)O[C@H](C)c2ccco2)c1C ZINC000764787679 585473576 /nfs/dbraw/zinc/47/35/76/585473576.db2.gz QYPPRXHOWRYOAT-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN CC[C@@H](CC(=O)O[C@H](C)c1ccco1)C(C)C ZINC000764787695 585473731 /nfs/dbraw/zinc/47/37/31/585473731.db2.gz RILGFZKLNZTOIX-NEPJUHHUSA-N 0 0 238.327 3.956 20 0 BHADRN CC[C@H](CC(=O)O[C@H](C)c1ccco1)C(C)C ZINC000764787697 585473706 /nfs/dbraw/zinc/47/37/06/585473706.db2.gz RILGFZKLNZTOIX-VXGBXAGGSA-N 0 0 238.327 3.956 20 0 BHADRN C/C(=C/C(=O)O[C@H](C)c1ccco1)C(C)(C)C ZINC000764787815 585473648 /nfs/dbraw/zinc/47/36/48/585473648.db2.gz VQKVXKWKBHKAGL-DWOQACPDSA-N 0 0 236.311 3.876 20 0 BHADRN C/C(=C\C(=O)O[C@H](C)c1ccco1)C(C)(C)C ZINC000764787817 585473575 /nfs/dbraw/zinc/47/35/75/585473575.db2.gz VQKVXKWKBHKAGL-PBQZMEPESA-N 0 0 236.311 3.876 20 0 BHADRN C[C@@H](OC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccco1 ZINC000764788686 585473622 /nfs/dbraw/zinc/47/36/22/585473622.db2.gz GHTOUHMAFAYALC-IJLUTSLNSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)C[C@@H]1CC[C@H](C)C1)c1ccco1 ZINC000764788689 585473608 /nfs/dbraw/zinc/47/36/08/585473608.db2.gz GHTOUHMAFAYALC-QJPTWQEYSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)C[C@H]1CC[C@H](C)C1)c1ccco1 ZINC000764788690 585473611 /nfs/dbraw/zinc/47/36/11/585473611.db2.gz GHTOUHMAFAYALC-TUAOUCFPSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)C[C@H]1CC[C@@H](C)C1)c1ccco1 ZINC000764788693 585473633 /nfs/dbraw/zinc/47/36/33/585473633.db2.gz GHTOUHMAFAYALC-UTUOFQBUSA-N 0 0 236.311 3.710 20 0 BHADRN CC(C)CC(C)(C)C(=O)O[C@H](C)c1ccco1 ZINC000764788729 585473679 /nfs/dbraw/zinc/47/36/79/585473679.db2.gz WYROVQMHOJAATL-LLVKDONJSA-N 0 0 238.327 3.956 20 0 BHADRN Cc1ccc(F)c(C(=O)O[C@H](C)c2ccco2)c1 ZINC000764788773 585473643 /nfs/dbraw/zinc/47/36/43/585473643.db2.gz HNHOOZOALWCXRY-SNVBAGLBSA-N 0 0 248.253 3.645 20 0 BHADRN C[C@@H](OC(=O)CCC1CCCC1)c1ccco1 ZINC000764788793 585473641 /nfs/dbraw/zinc/47/36/41/585473641.db2.gz XQMBCIUOGOHLAC-LLVKDONJSA-N 0 0 236.311 3.854 20 0 BHADRN Cc1ccc(F)cc1C(=O)O[C@H](C)c1ccco1 ZINC000764789013 585473755 /nfs/dbraw/zinc/47/37/55/585473755.db2.gz ZORYIVUZWBZGIE-SNVBAGLBSA-N 0 0 248.253 3.645 20 0 BHADRN C[C@@H](OC(=O)/C=C\c1cccs1)c1ccco1 ZINC000764789628 585473618 /nfs/dbraw/zinc/47/36/18/585473618.db2.gz JDJIFVBXRVVCRG-JYESYGNLSA-N 0 0 248.303 3.659 20 0 BHADRN C[C@@H](OC(=O)/C=C/c1cccs1)c1ccco1 ZINC000764789631 585473594 /nfs/dbraw/zinc/47/35/94/585473594.db2.gz JDJIFVBXRVVCRG-VQCYPWCPSA-N 0 0 248.303 3.659 20 0 BHADRN CCCCCCC(=O)O[C@H](C)c1ccco1 ZINC000764791572 585473816 /nfs/dbraw/zinc/47/38/16/585473816.db2.gz UCSLXUDOHRADMJ-LLVKDONJSA-N 0 0 224.300 3.854 20 0 BHADRN CCC[C@@H](C)CC(=O)O[C@H](C)c1ccco1 ZINC000764791880 585473946 /nfs/dbraw/zinc/47/39/46/585473946.db2.gz NMIZKDMKWSIPHH-GHMZBOCLSA-N 0 0 224.300 3.710 20 0 BHADRN CCC[C@H](C)CC(=O)O[C@H](C)c1ccco1 ZINC000764791882 585473827 /nfs/dbraw/zinc/47/38/27/585473827.db2.gz NMIZKDMKWSIPHH-WDEREUQCSA-N 0 0 224.300 3.710 20 0 BHADRN C[C@@H](OC(=O)[C@@H](C)C(C)(C)C)c1ccco1 ZINC000764792069 585473784 /nfs/dbraw/zinc/47/37/84/585473784.db2.gz WCDFNLFCQVAASB-NXEZZACHSA-N 0 0 224.300 3.566 20 0 BHADRN C[C@@H](OC(=O)[C@H](C)C(C)(C)C)c1ccco1 ZINC000764792071 585473907 /nfs/dbraw/zinc/47/39/07/585473907.db2.gz WCDFNLFCQVAASB-VHSXEESVSA-N 0 0 224.300 3.566 20 0 BHADRN CCC(=CC(=O)O[C@H](C)c1ccco1)CC ZINC000764792137 585473794 /nfs/dbraw/zinc/47/37/94/585473794.db2.gz XVXKRCQCYZBGQV-SNVBAGLBSA-N 0 0 222.284 3.630 20 0 BHADRN Cc1cc(C)cc(C(=O)O[C@H](C)c2ccco2)c1 ZINC000764792149 585473948 /nfs/dbraw/zinc/47/39/48/585473948.db2.gz YCXZKAQDQHKCFL-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN C[C@@H](OC(=O)C1CCCCCC1)c1ccco1 ZINC000764793043 585473854 /nfs/dbraw/zinc/47/38/54/585473854.db2.gz TUCBLEOVUKXSAV-LLVKDONJSA-N 0 0 236.311 3.854 20 0 BHADRN Cc1ccc(C)c(C(=O)O[C@H](C)c2ccco2)c1 ZINC000764793051 585473838 /nfs/dbraw/zinc/47/38/38/585473838.db2.gz TWNMCRGISUNVFO-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cc(F)ccc1C(=O)O[C@H](C)c1ccco1 ZINC000764793236 585473903 /nfs/dbraw/zinc/47/39/03/585473903.db2.gz VZNQPZSRDXXFAW-SNVBAGLBSA-N 0 0 248.253 3.645 20 0 BHADRN CCC/C(C)=C\C(=O)O[C@H](C)c1ccco1 ZINC000764793474 585473883 /nfs/dbraw/zinc/47/38/83/585473883.db2.gz DFZDZOQMKKZHOU-DWOQACPDSA-N 0 0 222.284 3.630 20 0 BHADRN CCC/C(C)=C/C(=O)O[C@H](C)c1ccco1 ZINC000764793476 585473897 /nfs/dbraw/zinc/47/38/97/585473897.db2.gz DFZDZOQMKKZHOU-PBQZMEPESA-N 0 0 222.284 3.630 20 0 BHADRN Cc1ccc([C@@H](C)C(=O)O[C@H](C)c2ccco2)o1 ZINC000764793794 585473788 /nfs/dbraw/zinc/47/37/88/585473788.db2.gz FNUDKLWPYDVOGR-GHMZBOCLSA-N 0 0 248.278 3.589 20 0 BHADRN Cc1ccc([C@H](C)C(=O)O[C@H](C)c2ccco2)o1 ZINC000764793795 585473922 /nfs/dbraw/zinc/47/39/22/585473922.db2.gz FNUDKLWPYDVOGR-WDEREUQCSA-N 0 0 248.278 3.589 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)O[C@H](C)c1ccco1 ZINC000764793796 585473886 /nfs/dbraw/zinc/47/38/86/585473886.db2.gz FOPKETWSQNOXDU-GHMZBOCLSA-N 0 0 238.327 3.956 20 0 BHADRN CCC(CC)[C@H](C)C(=O)O[C@H](C)c1ccco1 ZINC000764793798 585473770 /nfs/dbraw/zinc/47/37/70/585473770.db2.gz FOPKETWSQNOXDU-WDEREUQCSA-N 0 0 238.327 3.956 20 0 BHADRN CCc1ccccc1C(=O)O[C@H](C)c1ccco1 ZINC000764793924 585473760 /nfs/dbraw/zinc/47/37/60/585473760.db2.gz IZZNRQCPZWOAPD-LLVKDONJSA-N 0 0 244.290 3.760 20 0 BHADRN C[C@@H](OC(=O)[C@H](C)C1CCCC1)c1ccco1 ZINC000764794185 585473849 /nfs/dbraw/zinc/47/38/49/585473849.db2.gz KXEZDEPIYADGKB-GHMZBOCLSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)[C@@H](C)C1CCCC1)c1ccco1 ZINC000764794186 585473912 /nfs/dbraw/zinc/47/39/12/585473912.db2.gz KXEZDEPIYADGKB-WDEREUQCSA-N 0 0 236.311 3.710 20 0 BHADRN Cc1ccc(C(=O)O[C@H](C)c2ccco2)cc1C ZINC000764794421 585473968 /nfs/dbraw/zinc/47/39/68/585473968.db2.gz NXSYABHJYXLZRR-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cccc(C(=O)O[C@H](C)c2ccco2)c1 ZINC000764794496 585474006 /nfs/dbraw/zinc/47/40/06/585474006.db2.gz PLZXHGKCVQMDGV-LLVKDONJSA-N 0 0 230.263 3.506 20 0 BHADRN Cc1ccc(C(=O)O[C@H](C)c2ccco2)c(F)c1 ZINC000764794860 585473965 /nfs/dbraw/zinc/47/39/65/585473965.db2.gz RRZAXMYSSBSPDO-SNVBAGLBSA-N 0 0 248.253 3.645 20 0 BHADRN C[C@@H](OC(=O)/C=C/c1ccccc1)c1ccco1 ZINC000764795245 585474121 /nfs/dbraw/zinc/47/41/21/585474121.db2.gz SZIVFDWMPBNCHW-BZYZDCJZSA-N 0 0 242.274 3.597 20 0 BHADRN C[C@@H](OC(=O)/C=C\c1ccccc1)c1ccco1 ZINC000764795246 585474038 /nfs/dbraw/zinc/47/40/38/585474038.db2.gz SZIVFDWMPBNCHW-ZWLSGLHFSA-N 0 0 242.274 3.597 20 0 BHADRN Cc1cccc(C(=O)O[C@H](C)c2ccco2)c1F ZINC000764795351 585474013 /nfs/dbraw/zinc/47/40/13/585474013.db2.gz WELWVNHDUSBFPC-SNVBAGLBSA-N 0 0 248.253 3.645 20 0 BHADRN CCc1ccccc1C(=O)O[C@@H](C)c1ccco1 ZINC000764795515 585474155 /nfs/dbraw/zinc/47/41/55/585474155.db2.gz IZZNRQCPZWOAPD-NSHDSACASA-N 0 0 244.290 3.760 20 0 BHADRN CCc1ccc(C(=O)O[C@H](C)c2ccco2)cc1 ZINC000764795743 585474132 /nfs/dbraw/zinc/47/41/32/585474132.db2.gz ZRSINLFLMSPSLG-LLVKDONJSA-N 0 0 244.290 3.760 20 0 BHADRN C[C@@H](C(=O)O[C@@H](C)c1ccco1)C1CCCC1 ZINC000764795990 585474106 /nfs/dbraw/zinc/47/41/06/585474106.db2.gz KXEZDEPIYADGKB-MNOVXSKESA-N 0 0 236.311 3.710 20 0 BHADRN C[C@H](OC(=O)[C@@H](C)C1CCCC1)c1ccco1 ZINC000764795991 585474120 /nfs/dbraw/zinc/47/41/20/585474120.db2.gz KXEZDEPIYADGKB-QWRGUYRKSA-N 0 0 236.311 3.710 20 0 BHADRN CC(C)C[C@@H](C)CC(=O)O[C@@H](C)c1ccco1 ZINC000764796012 585474103 /nfs/dbraw/zinc/47/41/03/585474103.db2.gz LXFVWOVYDKFDFU-NEPJUHHUSA-N 0 0 238.327 3.956 20 0 BHADRN CC(C)C[C@H](C)CC(=O)O[C@@H](C)c1ccco1 ZINC000764796014 585474057 /nfs/dbraw/zinc/47/40/57/585474057.db2.gz LXFVWOVYDKFDFU-RYUDHWBXSA-N 0 0 238.327 3.956 20 0 BHADRN Cc1ccc(C(=O)O[C@@H](C)c2ccco2)cc1C ZINC000764796561 585474024 /nfs/dbraw/zinc/47/40/24/585474024.db2.gz NXSYABHJYXLZRR-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cccc(C(=O)O[C@@H](C)c2ccco2)c1 ZINC000764796657 585474022 /nfs/dbraw/zinc/47/40/22/585474022.db2.gz PLZXHGKCVQMDGV-NSHDSACASA-N 0 0 230.263 3.506 20 0 BHADRN CC[C@H](CC(=O)O[C@@H](C)c1ccco1)C(C)C ZINC000764797129 585474020 /nfs/dbraw/zinc/47/40/20/585474020.db2.gz RILGFZKLNZTOIX-NWDGAFQWSA-N 0 0 238.327 3.956 20 0 BHADRN CC[C@@H](CC(=O)O[C@@H](C)c1ccco1)C(C)C ZINC000764797130 585474133 /nfs/dbraw/zinc/47/41/33/585474133.db2.gz RILGFZKLNZTOIX-RYUDHWBXSA-N 0 0 238.327 3.956 20 0 BHADRN C/C=C(/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](C)C1)CC ZINC000764797231 585473985 /nfs/dbraw/zinc/47/39/85/585473985.db2.gz OWOFVUJEVGJOIR-FVYKKSSASA-N 0 0 249.398 3.936 20 0 BHADRN C/C=C(/C=C/C(=O)N(C)[C@@H]1CCC[C@H](C)C1)CC ZINC000764797233 585473995 /nfs/dbraw/zinc/47/39/95/585473995.db2.gz OWOFVUJEVGJOIR-LNPFEVOQSA-N 0 0 249.398 3.936 20 0 BHADRN C/C=C(/C=C\C(=O)N(C)[C@@H]1CCC[C@H](C)C1)CC ZINC000764797234 584929217 /nfs/dbraw/zinc/92/92/17/584929217.db2.gz OWOFVUJEVGJOIR-UVBYVBAWSA-N 0 0 249.398 3.936 20 0 BHADRN C/C=C(/C=C\C(=O)N(C)[C@@H]1CCC[C@@H](C)C1)CC ZINC000764797249 584929252 /nfs/dbraw/zinc/92/92/52/584929252.db2.gz OWOFVUJEVGJOIR-YTEAUKKOSA-N 0 0 249.398 3.936 20 0 BHADRN C[C@H](OC(=O)/C=C\c1ccccc1)c1ccco1 ZINC000764797267 585473966 /nfs/dbraw/zinc/47/39/66/585473966.db2.gz SZIVFDWMPBNCHW-PRDAAYKISA-N 0 0 242.274 3.597 20 0 BHADRN C[C@H](OC(=O)/C=C/c1ccccc1)c1ccco1 ZINC000764797270 585473967 /nfs/dbraw/zinc/47/39/67/585473967.db2.gz SZIVFDWMPBNCHW-VMPCVLLUSA-N 0 0 242.274 3.597 20 0 BHADRN Cc1cccc(C(=O)O[C@@H](C)c2ccco2)c1F ZINC000764797664 585474123 /nfs/dbraw/zinc/47/41/23/585474123.db2.gz WELWVNHDUSBFPC-JTQLQIEISA-N 0 0 248.253 3.645 20 0 BHADRN CCc1ccc(C(=O)O[C@@H](C)c2ccco2)cc1 ZINC000764797932 585474137 /nfs/dbraw/zinc/47/41/37/585474137.db2.gz ZRSINLFLMSPSLG-NSHDSACASA-N 0 0 244.290 3.760 20 0 BHADRN CCC/C(C)=C\C(=O)O[C@@H](C)c1ccco1 ZINC000764798262 584929281 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/nfs/dbraw/zinc/47/74/58/585477458.db2.gz QYAJWYODYWKBLK-JTQLQIEISA-N 0 0 248.313 3.934 20 0 BHADRN CCC/C=C\C(=O)O[C@@H](C)c1ccc(OC)cc1 ZINC000764902561 585477513 /nfs/dbraw/zinc/47/75/13/585477513.db2.gz ZDIHLXRLYICCNS-DGMVEKRQSA-N 0 0 248.322 3.656 20 0 BHADRN CCC/C=C/C(=O)O[C@@H](C)c1ccc(OC)cc1 ZINC000764902562 585477379 /nfs/dbraw/zinc/47/73/79/585477379.db2.gz ZDIHLXRLYICCNS-SYTKJHMZSA-N 0 0 248.322 3.656 20 0 BHADRN C/C=C(/C=C/C(=O)N1CCC(CC)CC1)CC ZINC000764946938 585477915 /nfs/dbraw/zinc/47/79/15/585477915.db2.gz MIZJIYGNLQYOKV-HRRRRBOVSA-N 0 0 235.371 3.548 20 0 BHADRN C/C=C(/C=C\C(=O)N1CCC(CC)CC1)CC ZINC000764946939 585477904 /nfs/dbraw/zinc/47/79/04/585477904.db2.gz MIZJIYGNLQYOKV-MUMAOQJLSA-N 0 0 235.371 3.548 20 0 BHADRN Cc1ccc(OC(=O)[C@H](C)CC(C)C)cc1 ZINC000764952885 585477898 /nfs/dbraw/zinc/47/78/98/585477898.db2.gz CGKLGMUDIQMCND-GFCCVEGCSA-N 0 0 220.312 3.583 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](C)CC(C)C)cc1 ZINC000764952887 585477797 /nfs/dbraw/zinc/47/77/97/585477797.db2.gz CGKLGMUDIQMCND-LBPRGKRZSA-N 0 0 220.312 3.583 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H](C)CC(C)C ZINC000764953961 585478097 /nfs/dbraw/zinc/47/80/97/585478097.db2.gz BOGUPQLMWIXRBV-CHWSQXEVSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H](C)CC(C)C ZINC000764953965 585478065 /nfs/dbraw/zinc/47/80/65/585478065.db2.gz BOGUPQLMWIXRBV-OLZOCXBDSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000764953968 585478098 /nfs/dbraw/zinc/47/80/98/585478098.db2.gz BOGUPQLMWIXRBV-QWHCGFSZSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000764953969 585478122 /nfs/dbraw/zinc/47/81/22/585478122.db2.gz BOGUPQLMWIXRBV-STQMWFEESA-N 0 0 227.392 3.754 20 0 BHADRN Cc1ccccc1OC(=O)[C@H](C)CC(C)C ZINC000764954289 585478057 /nfs/dbraw/zinc/47/80/57/585478057.db2.gz ONMWSHDWQWDWHA-GFCCVEGCSA-N 0 0 220.312 3.583 20 0 BHADRN Cc1ccccc1OC(=O)[C@@H](C)CC(C)C ZINC000764954290 585478162 /nfs/dbraw/zinc/47/81/62/585478162.db2.gz ONMWSHDWQWDWHA-LBPRGKRZSA-N 0 0 220.312 3.583 20 0 BHADRN Cc1cccc(OC(=O)[C@H](C)CC(C)C)c1 ZINC000764954298 585478066 /nfs/dbraw/zinc/47/80/66/585478066.db2.gz OTOCYMYGRBPIHN-GFCCVEGCSA-N 0 0 220.312 3.583 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](C)CC(C)C)c1 ZINC000764954299 585478100 /nfs/dbraw/zinc/47/81/00/585478100.db2.gz OTOCYMYGRBPIHN-LBPRGKRZSA-N 0 0 220.312 3.583 20 0 BHADRN CC(C)C[C@H](C)C(=O)Oc1ccccc1Cl ZINC000764955460 585478163 /nfs/dbraw/zinc/47/81/63/585478163.db2.gz XDDWYORGEIYUMG-JTQLQIEISA-N 0 0 240.730 3.928 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Oc1ccccc1Cl ZINC000764955483 585478157 /nfs/dbraw/zinc/47/81/57/585478157.db2.gz XDDWYORGEIYUMG-SNVBAGLBSA-N 0 0 240.730 3.928 20 0 BHADRN CC(C)C[C@@H](C)C(=O)OCc1ccccc1F ZINC000764955495 585478099 /nfs/dbraw/zinc/47/80/99/585478099.db2.gz OCSPVRUFZCWXPI-LLVKDONJSA-N 0 0 238.302 3.551 20 0 BHADRN CC(C)C[C@H](C)C(=O)OCc1ccccc1F ZINC000764955499 585478121 /nfs/dbraw/zinc/47/81/21/585478121.db2.gz OCSPVRUFZCWXPI-NSHDSACASA-N 0 0 238.302 3.551 20 0 BHADRN CC(C)C[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000764956666 585478153 /nfs/dbraw/zinc/47/81/53/585478153.db2.gz YGUBPUDEHKYNDQ-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)C[C@H](C)C(=O)NC1CCCCCCC1 ZINC000764956672 585478167 /nfs/dbraw/zinc/47/81/67/585478167.db2.gz YGUBPUDEHKYNDQ-ZDUSSCGKSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCCSCC(=O)N(C)CCCC ZINC000764978182 585478220 /nfs/dbraw/zinc/47/82/20/585478220.db2.gz RNAIRLQNMMWYQK-UHFFFAOYSA-N 0 0 245.432 3.558 20 0 BHADRN C/C=C(\CC)C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000764982720 585478307 /nfs/dbraw/zinc/47/83/07/585478307.db2.gz NMMYTWKVFHZZRD-GIDUJCDVSA-N 0 0 245.366 3.618 20 0 BHADRN C/C=C(/CC)C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000764982723 585478299 /nfs/dbraw/zinc/47/82/99/585478299.db2.gz NMMYTWKVFHZZRD-UUASQNMZSA-N 0 0 245.366 3.618 20 0 BHADRN CC/C=C(/C)C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000764983527 585478681 /nfs/dbraw/zinc/47/86/81/585478681.db2.gz RPVKYFMZICKMFS-AUWJEWJLSA-N 0 0 245.366 3.618 20 0 BHADRN CC/C=C(\C)C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000764983529 585478535 /nfs/dbraw/zinc/47/85/35/585478535.db2.gz RPVKYFMZICKMFS-VGOFMYFVSA-N 0 0 245.366 3.618 20 0 BHADRN CC(C)=C(C)C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000764984124 585478654 /nfs/dbraw/zinc/47/86/54/585478654.db2.gz WGVIYOXQEBKIIQ-UHFFFAOYSA-N 0 0 245.366 3.618 20 0 BHADRN CC[C@@H]1CCCCN1c1nc(C)ccc1Cl ZINC000764994200 585478613 /nfs/dbraw/zinc/47/86/13/585478613.db2.gz IGTAKKXHDUHBMN-LLVKDONJSA-N 0 0 238.762 3.812 20 0 BHADRN CC[C@H]1CCCCN1c1nc(C)ccc1Cl ZINC000764994205 585478708 /nfs/dbraw/zinc/47/87/08/585478708.db2.gz IGTAKKXHDUHBMN-NSHDSACASA-N 0 0 238.762 3.812 20 0 BHADRN Cc1ccc(Cl)c(N(C)Cc2ccccc2)n1 ZINC000764995429 585478746 /nfs/dbraw/zinc/47/87/46/585478746.db2.gz SFIRPZIFCALDPA-UHFFFAOYSA-N 0 0 246.741 3.680 20 0 BHADRN Cc1ccc(Cl)c(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000764995956 585478768 /nfs/dbraw/zinc/47/87/68/585478768.db2.gz YAVNTHDGZDSIRY-AOOOYVTPSA-N 0 0 238.762 3.526 20 0 BHADRN Cc1ccc(Cl)c(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000764995957 585478856 /nfs/dbraw/zinc/47/88/56/585478856.db2.gz YAVNTHDGZDSIRY-NXEZZACHSA-N 0 0 238.762 3.526 20 0 BHADRN Cc1ccc(Cl)c(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000764995959 585478891 /nfs/dbraw/zinc/47/88/91/585478891.db2.gz YAVNTHDGZDSIRY-UWVGGRQHSA-N 0 0 238.762 3.526 20 0 BHADRN Fc1ccc(Oc2ncc(Cl)s2)c(F)c1 ZINC000764998911 585478759 /nfs/dbraw/zinc/47/87/59/585478759.db2.gz BKOKXOBTRKZXLT-UHFFFAOYSA-N 0 0 247.653 3.867 20 0 BHADRN Cc1ccc(CNc2nc(C)ccc2Cl)cc1 ZINC000764999572 585478824 /nfs/dbraw/zinc/47/88/24/585478824.db2.gz HYYKZVBHCUKWEU-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN C/C(=C/C(=O)NC1CCC2(CC2)CC1)C(C)(C)C ZINC000764999907 585478861 /nfs/dbraw/zinc/47/88/61/585478861.db2.gz BINRCBPZEAZYSB-QXMHVHEDSA-N 0 0 249.398 3.818 20 0 BHADRN C/C(=C\C(=O)NC1CCC2(CC2)CC1)C(C)(C)C ZINC000764999909 585478902 /nfs/dbraw/zinc/47/89/02/585478902.db2.gz BINRCBPZEAZYSB-VAWYXSNFSA-N 0 0 249.398 3.818 20 0 BHADRN Cc1ccc(Cl)c(NCc2ccccc2C)n1 ZINC000765000372 585479070 /nfs/dbraw/zinc/47/90/70/585479070.db2.gz KOGWHMWHHFSBLW-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)CC(C)C)cc1C ZINC000765000531 585478799 /nfs/dbraw/zinc/47/87/99/585478799.db2.gz PADWCAFXBVLEGQ-AWEZNQCLSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)CC(C)C)cc1C ZINC000765000532 585478882 /nfs/dbraw/zinc/47/88/82/585478882.db2.gz PADWCAFXBVLEGQ-CQSZACIVSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)c2ccccn2)n1 ZINC000765001112 585479101 /nfs/dbraw/zinc/47/91/01/585479101.db2.gz OXFKCIYUGMIUGJ-JTQLQIEISA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)c2ccccn2)n1 ZINC000765001113 585479138 /nfs/dbraw/zinc/47/91/38/585479138.db2.gz OXFKCIYUGMIUGJ-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN Cc1ccc(Cl)c(N2CCCCCCC2)n1 ZINC000765001201 585479141 /nfs/dbraw/zinc/47/91/41/585479141.db2.gz REPCXCCXTNVYCJ-UHFFFAOYSA-N 0 0 238.762 3.814 20 0 BHADRN CCCCCCC(=O)NC1CCC2(CC2)CC1 ZINC000765001569 585479159 /nfs/dbraw/zinc/47/91/59/585479159.db2.gz JCIWSROEQWYRKQ-UHFFFAOYSA-N 0 0 237.387 3.796 20 0 BHADRN Cc1cccc(CNc2nc(C)ccc2Cl)c1 ZINC000765001613 585479185 /nfs/dbraw/zinc/47/91/85/585479185.db2.gz OHAYVHSQXJNYGR-UHFFFAOYSA-N 0 0 246.741 3.964 20 0 BHADRN Clc1cnc(N2CCCCCCC2)s1 ZINC000765002834 585479195 /nfs/dbraw/zinc/47/91/95/585479195.db2.gz YAIKFSPGOGTALC-UHFFFAOYSA-N 0 0 230.764 3.567 20 0 BHADRN CCC(=CC(=O)NC1CCC2(CC2)CC1)CC ZINC000765003236 585479011 /nfs/dbraw/zinc/47/90/11/585479011.db2.gz OXJVAEDJAHPHHX-UHFFFAOYSA-N 0 0 235.371 3.572 20 0 BHADRN CC[C@@H]1CCCN(c2nc(C)ccc2Cl)C1 ZINC000765004922 585479322 /nfs/dbraw/zinc/47/93/22/585479322.db2.gz CIWCTPFYVKNMET-LLVKDONJSA-N 0 0 238.762 3.670 20 0 BHADRN CC[C@H]1CCCN(c2nc(C)ccc2Cl)C1 ZINC000765004923 585479459 /nfs/dbraw/zinc/47/94/59/585479459.db2.gz CIWCTPFYVKNMET-NSHDSACASA-N 0 0 238.762 3.670 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)NC2CCC3(CC3)CC2)C1 ZINC000765005289 585479342 /nfs/dbraw/zinc/47/93/42/585479342.db2.gz BAUCYZCWVQQVPI-KLDSGFLGSA-N 0 0 247.382 3.572 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)NC2CCC3(CC3)CC2)C1 ZINC000765005290 585479256 /nfs/dbraw/zinc/47/92/56/585479256.db2.gz BAUCYZCWVQQVPI-NPRUJURCSA-N 0 0 247.382 3.572 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)NC2CCC3(CC3)CC2)C1 ZINC000765005291 585479470 /nfs/dbraw/zinc/47/94/70/585479470.db2.gz BAUCYZCWVQQVPI-OWRWYXLESA-N 0 0 247.382 3.572 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)NC2CCC3(CC3)CC2)C1 ZINC000765005293 585479272 /nfs/dbraw/zinc/47/92/72/585479272.db2.gz BAUCYZCWVQQVPI-RVROTUBLSA-N 0 0 247.382 3.572 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1CCC2(CC2)CC1 ZINC000765005701 585479383 /nfs/dbraw/zinc/47/93/83/585479383.db2.gz FPTMSIRMHKEOGP-QXMHVHEDSA-N 0 0 235.371 3.572 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1CCC2(CC2)CC1 ZINC000765005702 585479336 /nfs/dbraw/zinc/47/93/36/585479336.db2.gz FPTMSIRMHKEOGP-VAWYXSNFSA-N 0 0 235.371 3.572 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC1CCC2(CC2)CC1 ZINC000765006611 585479439 /nfs/dbraw/zinc/47/94/39/585479439.db2.gz NMQMJPBUMIBDEY-QXMHVHEDSA-N 0 0 249.398 3.818 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC1CCC2(CC2)CC1 ZINC000765006613 585479226 /nfs/dbraw/zinc/47/92/26/585479226.db2.gz NMQMJPBUMIBDEY-VAWYXSNFSA-N 0 0 249.398 3.818 20 0 BHADRN O=C(C=C1CCCCC1)NC1CCC2(CC2)CC1 ZINC000765008241 585479224 /nfs/dbraw/zinc/47/92/24/585479224.db2.gz VSXSLHMDVABKQW-UHFFFAOYSA-N 0 0 247.382 3.716 20 0 BHADRN CCC/C(C)=C\C(=O)NC1CCC2(CC2)CC1 ZINC000765008295 585479377 /nfs/dbraw/zinc/47/93/77/585479377.db2.gz WZHFFZTVCNRTRD-QXMHVHEDSA-N 0 0 235.371 3.572 20 0 BHADRN CCC/C(C)=C/C(=O)NC1CCC2(CC2)CC1 ZINC000765008297 585479286 /nfs/dbraw/zinc/47/92/86/585479286.db2.gz WZHFFZTVCNRTRD-VAWYXSNFSA-N 0 0 235.371 3.572 20 0 BHADRN CCC1CCN(c2nc(C)ccc2Cl)CC1 ZINC000765012855 585479400 /nfs/dbraw/zinc/47/94/00/585479400.db2.gz KKIQSMCQBWFCLK-UHFFFAOYSA-N 0 0 238.762 3.670 20 0 BHADRN Cc1ccc(Cl)c(N2CCC[C@@H]2C(C)C)n1 ZINC000765014378 585479318 /nfs/dbraw/zinc/47/93/18/585479318.db2.gz NTIFBIMPCBRANY-GFCCVEGCSA-N 0 0 238.762 3.668 20 0 BHADRN Cc1ccc(Cl)c(N2CCC[C@H]2C(C)C)n1 ZINC000765014383 585479364 /nfs/dbraw/zinc/47/93/64/585479364.db2.gz NTIFBIMPCBRANY-LBPRGKRZSA-N 0 0 238.762 3.668 20 0 BHADRN C/C=C(/C=C\C(=O)NC1(C)CCCCC1)CC ZINC000765014811 585479609 /nfs/dbraw/zinc/47/96/09/585479609.db2.gz YAMCRNLJLHQANZ-BYFILKBQSA-N 0 0 235.371 3.738 20 0 BHADRN C/C=C(/C=C/C(=O)NC1(C)CCCCC1)CC ZINC000765014812 585479563 /nfs/dbraw/zinc/47/95/63/585479563.db2.gz YAMCRNLJLHQANZ-ZWNOIDMSSA-N 0 0 235.371 3.738 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000765018858 585479692 /nfs/dbraw/zinc/47/96/92/585479692.db2.gz HCXAZPKYXJKGCQ-SECBINFHSA-N 0 0 242.265 3.552 20 0 BHADRN CC(C)C[C@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000765018860 585479510 /nfs/dbraw/zinc/47/95/10/585479510.db2.gz HCXAZPKYXJKGCQ-VIFPVBQESA-N 0 0 242.265 3.552 20 0 BHADRN Cc1ccc(Cl)c(N2CCC[C@H](C)CC2)n1 ZINC000765021006 585479701 /nfs/dbraw/zinc/47/97/01/585479701.db2.gz PTLOKXNZOMINKF-JTQLQIEISA-N 0 0 238.762 3.670 20 0 BHADRN Cc1ccc(Cl)c(N2CCC[C@@H](C)CC2)n1 ZINC000765021007 585479539 /nfs/dbraw/zinc/47/95/39/585479539.db2.gz PTLOKXNZOMINKF-SNVBAGLBSA-N 0 0 238.762 3.670 20 0 BHADRN Cc1ccc(Cl)c(N2Cc3ccccc3C2)n1 ZINC000765030821 585479959 /nfs/dbraw/zinc/47/99/59/585479959.db2.gz KIPYMACYYWYXEE-UHFFFAOYSA-N 0 0 244.725 3.564 20 0 BHADRN Clc1cnc(Oc2cccnc2Cl)s1 ZINC000765033353 644661196 /nfs/dbraw/zinc/66/11/96/644661196.db2.gz GCEPWEZQXHHANH-UHFFFAOYSA-N 0 0 247.106 3.637 20 0 BHADRN Cc1ccc(Cl)c(N2CCCC(C)(C)C2)n1 ZINC000765033574 644661361 /nfs/dbraw/zinc/66/13/61/644661361.db2.gz XWSCPIUGWSMZLE-UHFFFAOYSA-N 0 0 238.762 3.670 20 0 BHADRN Cc1ccc(Cl)c(N2CCC(C)(C)CC2)n1 ZINC000765033939 644661840 /nfs/dbraw/zinc/66/18/40/644661840.db2.gz PJHWXTFGLVXIOC-UHFFFAOYSA-N 0 0 238.762 3.670 20 0 BHADRN Clc1cnc(N2CCC3(CCCC3)C2)s1 ZINC000765043904 585480033 /nfs/dbraw/zinc/48/00/33/585480033.db2.gz KHFLHHHFQJQJAY-UHFFFAOYSA-N 0 0 242.775 3.567 20 0 BHADRN Cc1ccc(Cl)c(N(C)[C@@H](C)C2(C)CC2)n1 ZINC000765044208 585480000 /nfs/dbraw/zinc/48/00/00/585480000.db2.gz VYDYOXCTNZUKBF-JTQLQIEISA-N 0 0 238.762 3.668 20 0 BHADRN Cc1ccc(Cl)c(N(C)[C@H](C)C2(C)CC2)n1 ZINC000765044209 585480164 /nfs/dbraw/zinc/48/01/64/585480164.db2.gz VYDYOXCTNZUKBF-SNVBAGLBSA-N 0 0 238.762 3.668 20 0 BHADRN Cc1ccc(Cl)c(N2CC[C@@H](C(C)C)C2)n1 ZINC000765044724 585480013 /nfs/dbraw/zinc/48/00/13/585480013.db2.gz XBQHVYIPFRVBKQ-LLVKDONJSA-N 0 0 238.762 3.526 20 0 BHADRN Cc1ccc(Cl)c(N2CC[C@H](C(C)C)C2)n1 ZINC000765044725 585480102 /nfs/dbraw/zinc/48/01/02/585480102.db2.gz XBQHVYIPFRVBKQ-NSHDSACASA-N 0 0 238.762 3.526 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1c1nc(C)ccc1Cl ZINC000765053629 585480467 /nfs/dbraw/zinc/48/04/67/585480467.db2.gz GVBJSTGVLIVFAG-GHMZBOCLSA-N 0 0 238.762 3.811 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1c1nc(C)ccc1Cl ZINC000765053630 585480375 /nfs/dbraw/zinc/48/03/75/585480375.db2.gz GVBJSTGVLIVFAG-MNOVXSKESA-N 0 0 238.762 3.811 20 0 BHADRN CC[C@H]1CC[C@H](C)N1c1nc(C)ccc1Cl ZINC000765053632 585480350 /nfs/dbraw/zinc/48/03/50/585480350.db2.gz GVBJSTGVLIVFAG-QWRGUYRKSA-N 0 0 238.762 3.811 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1c1nc(C)ccc1Cl ZINC000765053633 585480366 /nfs/dbraw/zinc/48/03/66/585480366.db2.gz GVBJSTGVLIVFAG-WDEREUQCSA-N 0 0 238.762 3.811 20 0 BHADRN CC[C@]1(C)CCN(c2nc(C)ccc2Cl)C1 ZINC000765055123 585480451 /nfs/dbraw/zinc/48/04/51/585480451.db2.gz WKCBVRHREXVMGA-CYBMUJFWSA-N 0 0 238.762 3.670 20 0 BHADRN CC[C@@]1(C)CCN(c2nc(C)ccc2Cl)C1 ZINC000765055126 585480441 /nfs/dbraw/zinc/48/04/41/585480441.db2.gz WKCBVRHREXVMGA-ZDUSSCGKSA-N 0 0 238.762 3.670 20 0 BHADRN Clc1cnc(Oc2ccc(Cl)nc2)s1 ZINC000765057792 585480349 /nfs/dbraw/zinc/48/03/49/585480349.db2.gz USRZDEAUTCUBLJ-UHFFFAOYSA-N 0 0 247.106 3.637 20 0 BHADRN Cc1ccc(Cl)c(N2CC[C@@H](C)[C@H](C)C2)n1 ZINC000765058472 585480256 /nfs/dbraw/zinc/48/02/56/585480256.db2.gz ZOWGCWHPOMNODO-NXEZZACHSA-N 0 0 238.762 3.526 20 0 BHADRN Cc1ccc(Cl)c(N2CC[C@H](C)[C@@H](C)C2)n1 ZINC000765058474 585480440 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/nfs/dbraw/zinc/49/35/18/585493518.db2.gz JMBOVPFHACITOI-NKPGBKMFSA-N 0 0 244.334 3.690 20 0 BHADRN CC/C=C\COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000765923749 585493508 /nfs/dbraw/zinc/49/35/08/585493508.db2.gz JMBOVPFHACITOI-YFUKIHRRSA-N 0 0 244.334 3.690 20 0 BHADRN CCCCOC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000765927151 585493490 /nfs/dbraw/zinc/49/34/90/585493490.db2.gz KICNFROKTVKGAO-ALCCZGGFSA-N 0 0 243.306 3.524 20 0 BHADRN CCCCOC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000765927153 585493445 /nfs/dbraw/zinc/49/34/45/585493445.db2.gz KICNFROKTVKGAO-FNORWQNLSA-N 0 0 243.306 3.524 20 0 BHADRN CC(C(=O)OCc1cccs1)=C1CCCC1 ZINC000765927184 585494124 /nfs/dbraw/zinc/49/41/24/585494124.db2.gz KPAMXJSGAFSEDI-UHFFFAOYSA-N 0 0 236.336 3.682 20 0 BHADRN O=C(OC1CCCC1)[C@@H](c1ccccc1)C1CC1 ZINC000765928116 585494113 /nfs/dbraw/zinc/49/41/13/585494113.db2.gz ZCTAUXFAVRAJCE-HNNXBMFYSA-N 0 0 244.334 3.666 20 0 BHADRN O=C(OC1CCCC1)[C@H](c1ccccc1)C1CC1 ZINC000765928119 585493889 /nfs/dbraw/zinc/49/38/89/585493889.db2.gz 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PJHYNUXVVGPUFY-XHDPSFHLSA-N 0 0 244.334 3.522 20 0 BHADRN CC(C)(C)COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000765939822 585493982 /nfs/dbraw/zinc/49/39/82/585493982.db2.gz JCTQDFDIZUOAOS-AWEZNQCLSA-N 0 0 246.350 3.770 20 0 BHADRN CC(C)(C)COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000765939823 585493874 /nfs/dbraw/zinc/49/38/74/585493874.db2.gz JCTQDFDIZUOAOS-CQSZACIVSA-N 0 0 246.350 3.770 20 0 BHADRN CC(C(=O)OCc1ccoc1C)=C1CCCC1 ZINC000765943404 585493961 /nfs/dbraw/zinc/49/39/61/585493961.db2.gz VIUHAQJALVVCOJ-UHFFFAOYSA-N 0 0 234.295 3.522 20 0 BHADRN O=C(/C=C\c1cccs1)OC1CCCCC1 ZINC000765945241 585494374 /nfs/dbraw/zinc/49/43/74/585494374.db2.gz YYWFULDGUTZMSM-HJWRWDBZSA-N 0 0 236.336 3.637 20 0 BHADRN O=C(OCC1CCC1)[C@@H](c1ccccc1)C1CC1 ZINC000765946319 585494232 /nfs/dbraw/zinc/49/42/32/585494232.db2.gz BZFULLVLXXSKNC-HNNXBMFYSA-N 0 0 244.334 3.524 20 0 BHADRN O=C(OCC1CCC1)[C@H](c1ccccc1)C1CC1 ZINC000765946321 585494229 /nfs/dbraw/zinc/49/42/29/585494229.db2.gz BZFULLVLXXSKNC-OAHLLOKOSA-N 0 0 244.334 3.524 20 0 BHADRN O=C(OCCC1CC1)[C@@H](c1ccccc1)C1CC1 ZINC000765948188 585494152 /nfs/dbraw/zinc/49/41/52/585494152.db2.gz BRSLLIBIBCTJMP-HNNXBMFYSA-N 0 0 244.334 3.524 20 0 BHADRN O=C(OCCC1CC1)[C@H](c1ccccc1)C1CC1 ZINC000765948190 585494376 /nfs/dbraw/zinc/49/43/76/585494376.db2.gz BRSLLIBIBCTJMP-OAHLLOKOSA-N 0 0 244.334 3.524 20 0 BHADRN CC(C(=O)OCc1ccsc1)=C1CCCC1 ZINC000765948777 585494222 /nfs/dbraw/zinc/49/42/22/585494222.db2.gz GDDJMGQJKLDQBB-UHFFFAOYSA-N 0 0 236.336 3.682 20 0 BHADRN Cc1ccc(N(C)CCCC2CCOCC2)cc1 ZINC000765950002 585494269 /nfs/dbraw/zinc/49/42/69/585494269.db2.gz NHKDBANMXGDQGV-UHFFFAOYSA-N 0 0 247.382 3.638 20 0 BHADRN CC(C)[C@@H](C)OC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000765960073 585494721 /nfs/dbraw/zinc/49/47/21/585494721.db2.gz SAXPDZBGNHDDGE-DOMZBBRYSA-N 0 0 246.350 3.768 20 0 BHADRN CC(C)[C@@H](C)OC(=O)[C@H](c1ccccc1)C1CC1 ZINC000765960074 585494424 /nfs/dbraw/zinc/49/44/24/585494424.db2.gz SAXPDZBGNHDDGE-IUODEOHRSA-N 0 0 246.350 3.768 20 0 BHADRN CC(C)[C@H](C)OC(=O)[C@H](c1ccccc1)C1CC1 ZINC000765960075 585494463 /nfs/dbraw/zinc/49/44/63/585494463.db2.gz SAXPDZBGNHDDGE-SWLSCSKDSA-N 0 0 246.350 3.768 20 0 BHADRN CC(C)[C@H](C)OC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000765960077 585494525 /nfs/dbraw/zinc/49/45/25/585494525.db2.gz SAXPDZBGNHDDGE-WFASDCNBSA-N 0 0 246.350 3.768 20 0 BHADRN CC1(OC(=O)c2ccc(Cl)c(F)c2)CCC1 ZINC000765966583 585494670 /nfs/dbraw/zinc/49/46/70/585494670.db2.gz ZHZKOUUYDMLVND-UHFFFAOYSA-N 0 0 242.677 3.579 20 0 BHADRN CC(C(=O)O[C@H](C)c1ccco1)=C1CCCC1 ZINC000765972043 585494956 /nfs/dbraw/zinc/49/49/56/585494956.db2.gz BXEACVOFHCLCMW-LLVKDONJSA-N 0 0 234.295 3.774 20 0 BHADRN CC(C(=O)O[C@@H](C)c1ccco1)=C1CCCC1 ZINC000765972044 585494841 /nfs/dbraw/zinc/49/48/41/585494841.db2.gz BXEACVOFHCLCMW-NSHDSACASA-N 0 0 234.295 3.774 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)[C@H](C)C1CC1 ZINC000765978702 585494794 /nfs/dbraw/zinc/49/47/94/585494794.db2.gz LYVHLNIFFNWDAT-CHWSQXEVSA-N 0 0 246.350 3.954 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)[C@H](C)C1CC1 ZINC000765978703 585494880 /nfs/dbraw/zinc/49/48/80/585494880.db2.gz LYVHLNIFFNWDAT-OLZOCXBDSA-N 0 0 246.350 3.954 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)[C@@H](C)C1CC1 ZINC000765978713 585494938 /nfs/dbraw/zinc/49/49/38/585494938.db2.gz LYVHLNIFFNWDAT-QWHCGFSZSA-N 0 0 246.350 3.954 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)[C@@H](C)C1CC1 ZINC000765978721 585494924 /nfs/dbraw/zinc/49/49/24/585494924.db2.gz LYVHLNIFFNWDAT-STQMWFEESA-N 0 0 246.350 3.954 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)[C@H]1C[C@H]1C ZINC000765980464 585494834 /nfs/dbraw/zinc/49/48/34/585494834.db2.gz BUHLQADJNOGYDR-AGIUHOORSA-N 0 0 232.323 3.564 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)[C@H]1C[C@@H]1C ZINC000765980468 585494806 /nfs/dbraw/zinc/49/48/06/585494806.db2.gz BUHLQADJNOGYDR-AVGNSLFASA-N 0 0 232.323 3.564 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)[C@@H]1C[C@H]1C ZINC000765980469 585494848 /nfs/dbraw/zinc/49/48/48/585494848.db2.gz BUHLQADJNOGYDR-FRRDWIJNSA-N 0 0 232.323 3.564 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)[C@@H]1C[C@@H]1C ZINC000765980474 585494438 /nfs/dbraw/zinc/49/44/38/585494438.db2.gz BUHLQADJNOGYDR-RWMBFGLXSA-N 0 0 232.323 3.564 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)C1CCC1 ZINC000765980560 585494836 /nfs/dbraw/zinc/49/48/36/585494836.db2.gz QXEGZSKAINVYME-GFCCVEGCSA-N 0 0 232.323 3.708 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)C1CCC1 ZINC000765980569 585494840 /nfs/dbraw/zinc/49/48/40/585494840.db2.gz QXEGZSKAINVYME-LBPRGKRZSA-N 0 0 232.323 3.708 20 0 BHADRN CCCC(=O)O[C@H](C)c1c(C)cccc1C ZINC000765980929 585495081 /nfs/dbraw/zinc/49/50/81/585495081.db2.gz SPQRFXGRRYEASP-GFCCVEGCSA-N 0 0 220.312 3.708 20 0 BHADRN CCCC(=O)O[C@@H](C)c1c(C)cccc1C ZINC000765980930 585495146 /nfs/dbraw/zinc/49/51/46/585495146.db2.gz SPQRFXGRRYEASP-LBPRGKRZSA-N 0 0 220.312 3.708 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccoc1 ZINC000765981182 585495170 /nfs/dbraw/zinc/49/51/70/585495170.db2.gz FKZSIEAJKKGALZ-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)c1ccoc1 ZINC000765981186 585495163 /nfs/dbraw/zinc/49/51/63/585495163.db2.gz FKZSIEAJKKGALZ-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)C1CC=CC1 ZINC000765982081 585495104 /nfs/dbraw/zinc/49/51/04/585495104.db2.gz YMKRMZBDPPWCSH-CYBMUJFWSA-N 0 0 244.334 3.874 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)C1CC=CC1 ZINC000765982082 585495134 /nfs/dbraw/zinc/49/51/34/585495134.db2.gz YMKRMZBDPPWCSH-ZDUSSCGKSA-N 0 0 244.334 3.874 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccco1 ZINC000765982450 584938800 /nfs/dbraw/zinc/93/88/00/584938800.db2.gz KJFLVHXCNJHDKC-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)c1ccco1 ZINC000765982455 584938669 /nfs/dbraw/zinc/93/86/69/584938669.db2.gz KJFLVHXCNJHDKC-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)CC1CC1 ZINC000765984721 585495218 /nfs/dbraw/zinc/49/52/18/585495218.db2.gz XKOJIMVOETWXPC-GFCCVEGCSA-N 0 0 232.323 3.708 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)CC1CC1 ZINC000765984722 585495072 /nfs/dbraw/zinc/49/50/72/585495072.db2.gz XKOJIMVOETWXPC-LBPRGKRZSA-N 0 0 232.323 3.708 20 0 BHADRN C/C=C(\C)C(=O)NCC(C)(C)C1CCCCC1 ZINC000765995045 585495439 /nfs/dbraw/zinc/49/54/39/585495439.db2.gz AGTPEGOMKPBGQZ-LFYBBSHMSA-N 0 0 237.387 3.675 20 0 BHADRN C/C=C(/C)C(=O)NCC(C)(C)C1CCCCC1 ZINC000765995046 585495443 /nfs/dbraw/zinc/49/54/43/585495443.db2.gz AGTPEGOMKPBGQZ-XGICHPGQSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)(CNC(=O)/C=C\C1CC1)C1CCCCC1 ZINC000765997993 585495426 /nfs/dbraw/zinc/49/54/26/585495426.db2.gz IXKGOYRYAWXRGK-KHPPLWFESA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)(CNC(=O)/C=C/C1CC1)C1CCCCC1 ZINC000765997994 585495548 /nfs/dbraw/zinc/49/55/48/585495548.db2.gz IXKGOYRYAWXRGK-ZHACJKMWSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)(CNC(=O)C=C1CCC1)C1CCCCC1 ZINC000765998845 585495480 /nfs/dbraw/zinc/49/54/80/585495480.db2.gz OXOUGGKVCOTIQS-UHFFFAOYSA-N 0 0 249.398 3.819 20 0 BHADRN C/C=C/C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC000766032069 585496439 /nfs/dbraw/zinc/49/64/39/585496439.db2.gz QWXGXGUOHZIYCK-AATRIKPKSA-N 0 0 237.387 3.531 20 0 BHADRN C/C=C\C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC000766032070 585496536 /nfs/dbraw/zinc/49/65/36/585496536.db2.gz QWXGXGUOHZIYCK-WAYWQWQTSA-N 0 0 237.387 3.531 20 0 BHADRN COC(=O)N1CCCc2cc(C(C)(C)C)ccc21 ZINC000766037838 585496650 /nfs/dbraw/zinc/49/66/50/585496650.db2.gz LPCYKLMTNVSSEW-UHFFFAOYSA-N 0 0 247.338 3.503 20 0 BHADRN O=C(/C=C\c1cccs1)OC[C@@H]1CC=CCC1 ZINC000766038439 585496658 /nfs/dbraw/zinc/49/66/58/585496658.db2.gz LSDPBIZKKCCPCO-JLVNDZCYSA-N 0 0 248.347 3.661 20 0 BHADRN O=C(/C=C\c1cccs1)OC[C@H]1CC=CCC1 ZINC000766038441 585496770 /nfs/dbraw/zinc/49/67/70/585496770.db2.gz LSDPBIZKKCCPCO-LAUAKBEESA-N 0 0 248.347 3.661 20 0 BHADRN CCC(=O)N1CCCc2cc(C(C)(C)C)ccc21 ZINC000766043008 585496727 /nfs/dbraw/zinc/49/67/27/585496727.db2.gz DVUIHSWNUPHONO-UHFFFAOYSA-N 0 0 245.366 3.673 20 0 BHADRN CC(C)=CC(=O)OCc1cccc2ccccc21 ZINC000766052752 585496906 /nfs/dbraw/zinc/49/69/06/585496906.db2.gz HASOKROTTGXHJM-UHFFFAOYSA-N 0 0 240.302 3.849 20 0 BHADRN CC(C)=CC(=O)O[C@@H](C)c1ccccc1Cl ZINC000766053859 585496948 /nfs/dbraw/zinc/49/69/48/585496948.db2.gz RGLJVAMZDBFLIP-JTQLQIEISA-N 0 0 238.714 3.910 20 0 BHADRN CC(C)c1ccc(N(C)CCCF)cc1 ZINC000766095032 585497710 /nfs/dbraw/zinc/49/77/10/585497710.db2.gz PFQKNOMJCXDYJX-UHFFFAOYSA-N 0 0 209.308 3.606 20 0 BHADRN CCCCCCn1ccc(-c2nccs2)n1 ZINC000766117005 585497752 /nfs/dbraw/zinc/49/77/52/585497752.db2.gz JWKGAOOYWQHUJL-UHFFFAOYSA-N 0 0 235.356 3.587 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000766194802 585498815 /nfs/dbraw/zinc/49/88/15/585498815.db2.gz BRKYRJAXBFXQPN-DOMZBBRYSA-N 0 0 246.350 3.912 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@H](c1ccccc1)C1CC1 ZINC000766194803 585498781 /nfs/dbraw/zinc/49/87/81/585498781.db2.gz BRKYRJAXBFXQPN-IUODEOHRSA-N 0 0 246.350 3.912 20 0 BHADRN CCC[C@H](C)OC(=O)[C@H](c1ccccc1)C1CC1 ZINC000766194804 585498812 /nfs/dbraw/zinc/49/88/12/585498812.db2.gz BRKYRJAXBFXQPN-SWLSCSKDSA-N 0 0 246.350 3.912 20 0 BHADRN CCC[C@H](C)OC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000766194805 585498628 /nfs/dbraw/zinc/49/86/28/585498628.db2.gz BRKYRJAXBFXQPN-WFASDCNBSA-N 0 0 246.350 3.912 20 0 BHADRN Cc1ccc([C@@H](C)NCc2c(C)cccc2F)o1 ZINC000766212548 585498938 /nfs/dbraw/zinc/49/89/38/585498938.db2.gz IGBQVXKUUSQFON-GFCCVEGCSA-N 0 0 247.313 3.886 20 0 BHADRN Cc1ccc([C@H](C)NCc2c(C)cccc2F)o1 ZINC000766212565 585499037 /nfs/dbraw/zinc/49/90/37/585499037.db2.gz IGBQVXKUUSQFON-LBPRGKRZSA-N 0 0 247.313 3.886 20 0 BHADRN Cc1cccc(F)c1CN[C@H](C)c1ccco1 ZINC000766213066 585498918 /nfs/dbraw/zinc/49/89/18/585498918.db2.gz NAFKEMVZFIVEJO-LLVKDONJSA-N 0 0 233.286 3.578 20 0 BHADRN Cc1cccc(F)c1CN[C@@H](C)c1ccco1 ZINC000766213070 585499091 /nfs/dbraw/zinc/49/90/91/585499091.db2.gz NAFKEMVZFIVEJO-NSHDSACASA-N 0 0 233.286 3.578 20 0 BHADRN COc1cc(F)c(NCC2(C)CCC2)cc1F ZINC000766213194 585498908 /nfs/dbraw/zinc/49/89/08/585498908.db2.gz MDMTYZUETJEFCD-UHFFFAOYSA-N 0 0 241.281 3.576 20 0 BHADRN Cc1cc(NCC2(C)CCC2)ccc1N(C)C ZINC000766213211 585499068 /nfs/dbraw/zinc/49/90/68/585499068.db2.gz MEXURWAPDPORAZ-UHFFFAOYSA-N 0 0 232.371 3.663 20 0 BHADRN Cc1cccc(F)c1CN[C@H](C)c1ccoc1 ZINC000766213378 585498975 /nfs/dbraw/zinc/49/89/75/585498975.db2.gz OUYCPFZWMYDNLG-LLVKDONJSA-N 0 0 233.286 3.578 20 0 BHADRN Cc1cccc(F)c1CN[C@@H](C)c1ccoc1 ZINC000766213382 585498615 /nfs/dbraw/zinc/49/86/15/585498615.db2.gz OUYCPFZWMYDNLG-NSHDSACASA-N 0 0 233.286 3.578 20 0 BHADRN COc1c(F)cc(NCC2(C)CCC2)cc1F ZINC000766214416 585498893 /nfs/dbraw/zinc/49/88/93/585498893.db2.gz OPADXOIDCMPFEK-UHFFFAOYSA-N 0 0 241.281 3.576 20 0 BHADRN CCCCCNC(=O)C(C)(C)C1CCCCC1 ZINC000766275306 585500220 /nfs/dbraw/zinc/50/02/20/585500220.db2.gz HXSGVHZKXWSEPX-UHFFFAOYSA-N 0 0 239.403 3.899 20 0 BHADRN CC[C@@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC000766275918 585500160 /nfs/dbraw/zinc/50/01/60/585500160.db2.gz MCGQXLAVEJOHDK-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC000766275920 585500291 /nfs/dbraw/zinc/50/02/91/585500291.db2.gz MCGQXLAVEJOHDK-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CC(C)(C(=O)NCc1ccco1)C1CCCCC1 ZINC000766278122 585500196 /nfs/dbraw/zinc/50/01/96/585500196.db2.gz WSNHOVXJHUGLIN-UHFFFAOYSA-N 0 0 249.354 3.502 20 0 BHADRN CCCOC(=O)c1ccc(-c2ccco2)s1 ZINC000766280648 585500190 /nfs/dbraw/zinc/50/01/90/585500190.db2.gz OJRNAFQQXDPIHD-UHFFFAOYSA-N 0 0 236.292 3.575 20 0 BHADRN O=C(OCC1CC1)c1ccc(-c2ccco2)s1 ZINC000766281718 585500336 /nfs/dbraw/zinc/50/03/36/585500336.db2.gz HXLTYJWSRAHHMH-UHFFFAOYSA-N 0 0 248.303 3.575 20 0 BHADRN CCC(C)(C)C(=O)OCc1ccc(C)c(F)c1 ZINC000766281837 585500107 /nfs/dbraw/zinc/50/01/07/585500107.db2.gz XWHKFJPPQDTHNM-UHFFFAOYSA-N 0 0 238.302 3.614 20 0 BHADRN CC(C)CCNC(=O)C(C)(C)C1CCCCC1 ZINC000766284561 585500416 /nfs/dbraw/zinc/50/04/16/585500416.db2.gz MXVVEMLHTIRQQE-UHFFFAOYSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCNC(=O)C(C)(C)C1CCCCC1 ZINC000766285158 585500435 /nfs/dbraw/zinc/50/04/35/585500435.db2.gz QFKOCYXNSMYLMX-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCc1cccnc1C(=O)OC1CCCCCC1 ZINC000766285168 585500310 /nfs/dbraw/zinc/50/03/10/585500310.db2.gz VRVLXOWFELGYEA-UHFFFAOYSA-N 0 0 247.338 3.524 20 0 BHADRN CCC[C@@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC000766287287 585500419 /nfs/dbraw/zinc/50/04/19/585500419.db2.gz DZQWOFZLDFIGRD-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC000766287290 585500485 /nfs/dbraw/zinc/50/04/85/585500485.db2.gz DZQWOFZLDFIGRD-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(CC)NC(=O)C(C)(C)C1CCCCC1 ZINC000766287458 585500378 /nfs/dbraw/zinc/50/03/78/585500378.db2.gz IUZREZFLKXJJNT-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](C)C(=O)OCc1ccc(C)c(F)c1 ZINC000766293620 644665602 /nfs/dbraw/zinc/66/56/02/644665602.db2.gz FXRGLYSQRKJTGY-LLVKDONJSA-N 0 0 238.302 3.614 20 0 BHADRN CCC[C@H](C)C(=O)OCc1ccc(C)c(F)c1 ZINC000766293621 644666126 /nfs/dbraw/zinc/66/61/26/644666126.db2.gz FXRGLYSQRKJTGY-NSHDSACASA-N 0 0 238.302 3.614 20 0 BHADRN C[C@@H]1CSC(S[C@H]2CCC[C@@H](C)C2)=N1 ZINC000766295104 644665719 /nfs/dbraw/zinc/66/57/19/644665719.db2.gz KVSVIWQCXXKHLX-BBBLOLIVSA-N 0 0 229.414 3.790 20 0 BHADRN C[C@H]1CSC(S[C@@H]2CCC[C@@H](C)C2)=N1 ZINC000766295105 644666014 /nfs/dbraw/zinc/66/60/14/644666014.db2.gz KVSVIWQCXXKHLX-KXUCPTDWSA-N 0 0 229.414 3.790 20 0 BHADRN C[C@@H]1CSC(S[C@@H]2CCC[C@@H](C)C2)=N1 ZINC000766295106 644666252 /nfs/dbraw/zinc/66/62/52/644666252.db2.gz KVSVIWQCXXKHLX-OPRDCNLKSA-N 0 0 229.414 3.790 20 0 BHADRN C[C@H]1CSC(S[C@H]2CCC[C@@H](C)C2)=N1 ZINC000766295107 644665936 /nfs/dbraw/zinc/66/59/36/644665936.db2.gz KVSVIWQCXXKHLX-UTLUCORTSA-N 0 0 229.414 3.790 20 0 BHADRN Cc1ccc(COC(=O)[C@@H]2CC=CCC2)cc1F ZINC000766300289 585500607 /nfs/dbraw/zinc/50/06/07/585500607.db2.gz YBBHHGJIHVSTLQ-CYBMUJFWSA-N 0 0 248.297 3.534 20 0 BHADRN Cc1ccc(COC(=O)[C@H]2CC=CCC2)cc1F ZINC000766300292 585500690 /nfs/dbraw/zinc/50/06/90/585500690.db2.gz YBBHHGJIHVSTLQ-ZDUSSCGKSA-N 0 0 248.297 3.534 20 0 BHADRN C[C@@H](NC(=O)C(C)(C)C1CCCCC1)C1CC1 ZINC000766312843 585501043 /nfs/dbraw/zinc/50/10/43/585501043.db2.gz RXIJEPWSORQCRL-LLVKDONJSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](NC(=O)C(C)(C)C1CCCCC1)C1CC1 ZINC000766312845 585501053 /nfs/dbraw/zinc/50/10/53/585501053.db2.gz RXIJEPWSORQCRL-NSHDSACASA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C(=O)Nc1cccnc1)C1CCCCC1 ZINC000766317863 585501101 /nfs/dbraw/zinc/50/11/01/585501101.db2.gz MQQQVVXDTWCRBR-UHFFFAOYSA-N 0 0 246.354 3.627 20 0 BHADRN CC(C)(C(=O)N1CCCCC1)C1CCCCC1 ZINC000766318456 585501005 /nfs/dbraw/zinc/50/10/05/585501005.db2.gz CZPZXZIZRDWGCH-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC(C)(C(=O)Nc1ccccn1)C1CCCCC1 ZINC000766321288 584941401 /nfs/dbraw/zinc/94/14/01/584941401.db2.gz LKCAANVARNWOEK-UHFFFAOYSA-N 0 0 246.354 3.627 20 0 BHADRN CC(C)(C(=O)N1C2CCC1CC2)C1CCCCC1 ZINC000766321374 585501317 /nfs/dbraw/zinc/50/13/17/585501317.db2.gz NJYJPPFPSYYBAL-UHFFFAOYSA-N 0 0 249.398 3.746 20 0 BHADRN CCCCN(C)C(=O)C(C)(C)C1CCCCC1 ZINC000766325916 585501239 /nfs/dbraw/zinc/50/12/39/585501239.db2.gz GRUUPMDCWTVJLY-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCN(CC)C(=O)C(C)(C)C1CCCCC1 ZINC000766336872 585501193 /nfs/dbraw/zinc/50/11/93/585501193.db2.gz CCZKRNBUBFIZDB-UHFFFAOYSA-N 0 0 239.403 3.851 20 0 BHADRN CC(C)CN(C)C(=O)C(C)(C)C1CCCCC1 ZINC000766339946 585501256 /nfs/dbraw/zinc/50/12/56/585501256.db2.gz OPRAVMQFSOEBGG-UHFFFAOYSA-N 0 0 239.403 3.707 20 0 BHADRN CC(C)(C(=O)NCC1CCC1)C1CCCCC1 ZINC000766352682 585501213 /nfs/dbraw/zinc/50/12/13/585501213.db2.gz DHOLXVGEMPRXJR-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN Fc1ccc(OCC2CCCCCC2)cn1 ZINC000766373802 585501581 /nfs/dbraw/zinc/50/15/81/585501581.db2.gz XTFCLOQKSJAVSG-UHFFFAOYSA-N 0 0 223.291 3.570 20 0 BHADRN O=C(OC1CCC1)c1ccc(-c2ccco2)s1 ZINC000766380831 585501423 /nfs/dbraw/zinc/50/14/23/585501423.db2.gz HOAHQJDSFZFHLR-UHFFFAOYSA-N 0 0 248.303 3.717 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1ccc(Cl)o1 ZINC000766400450 585501646 /nfs/dbraw/zinc/50/16/46/585501646.db2.gz FTGWTYVQHHHKEF-MRVPVSSYSA-N 0 0 230.691 3.669 20 0 BHADRN CCC[C@H](CC)OC(=O)c1ccc(Cl)o1 ZINC000766400463 585501779 /nfs/dbraw/zinc/50/17/79/585501779.db2.gz FTGWTYVQHHHKEF-QMMMGPOBSA-N 0 0 230.691 3.669 20 0 BHADRN CCC[C@@H](CC)OC(=O)CCC(C)(F)F ZINC000766400464 585501750 /nfs/dbraw/zinc/50/17/50/585501750.db2.gz GCFGZDGHTYPWTA-SECBINFHSA-N 0 0 222.275 3.544 20 0 BHADRN CCC[C@H](CC)OC(=O)CCC(C)(F)F ZINC000766400465 585501642 /nfs/dbraw/zinc/50/16/42/585501642.db2.gz GCFGZDGHTYPWTA-VIFPVBQESA-N 0 0 222.275 3.544 20 0 BHADRN CCC[C@H](CC)OC(=O)C(C)(C)CC ZINC000766402044 585501613 /nfs/dbraw/zinc/50/16/13/585501613.db2.gz IGBJYCRILCHFDK-JTQLQIEISA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@@H](CC)OC(=O)C(C)(C)CC ZINC000766402048 585501716 /nfs/dbraw/zinc/50/17/16/585501716.db2.gz IGBJYCRILCHFDK-SNVBAGLBSA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1ccc(SC)o1 ZINC000766402109 585501660 /nfs/dbraw/zinc/50/16/60/585501660.db2.gz ITTOOXVOLLBPGX-SECBINFHSA-N 0 0 242.340 3.737 20 0 BHADRN CCC[C@@H](CC)OC(=O)CCc1ccsc1 ZINC000766402135 585501677 /nfs/dbraw/zinc/50/16/77/585501677.db2.gz AFCQBROQBNKYNV-GFCCVEGCSA-N 0 0 240.368 3.803 20 0 BHADRN CCC[C@H](CC)OC(=O)CCc1ccsc1 ZINC000766402138 585501610 /nfs/dbraw/zinc/50/16/10/585501610.db2.gz AFCQBROQBNKYNV-LBPRGKRZSA-N 0 0 240.368 3.803 20 0 BHADRN CCC[C@H](CC)OC(=O)c1ccc(SC)o1 ZINC000766402143 585501789 /nfs/dbraw/zinc/50/17/89/585501789.db2.gz ITTOOXVOLLBPGX-VIFPVBQESA-N 0 0 242.340 3.737 20 0 BHADRN CCC[C@@H](CC)OC(=O)CCc1ccc(C)o1 ZINC000766402443 585501729 /nfs/dbraw/zinc/50/17/29/585501729.db2.gz DMVYXBFUWBTSLW-GFCCVEGCSA-N 0 0 238.327 3.643 20 0 BHADRN CCC[C@H](CC)OC(=O)CCc1ccc(C)o1 ZINC000766402445 585501960 /nfs/dbraw/zinc/50/19/60/585501960.db2.gz DMVYXBFUWBTSLW-LBPRGKRZSA-N 0 0 238.327 3.643 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1cccc(F)c1F ZINC000766402700 585501839 /nfs/dbraw/zinc/50/18/39/585501839.db2.gz FFYZDQXWLFCVOV-SECBINFHSA-N 0 0 242.265 3.700 20 0 BHADRN CCC[C@H](CC)OC(=O)c1cccc(F)c1F ZINC000766402829 585501880 /nfs/dbraw/zinc/50/18/80/585501880.db2.gz FFYZDQXWLFCVOV-VIFPVBQESA-N 0 0 242.265 3.700 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1scnc1Cl ZINC000766402957 585502006 /nfs/dbraw/zinc/50/20/06/585502006.db2.gz GHLNMDCRLFBTBC-SSDOTTSWSA-N 0 0 247.747 3.532 20 0 BHADRN CCC[C@H](CC)OC(=O)c1scnc1Cl ZINC000766403164 585501638 /nfs/dbraw/zinc/50/16/38/585501638.db2.gz GHLNMDCRLFBTBC-ZETCQYMHSA-N 0 0 247.747 3.532 20 0 BHADRN CCC[C@H](CC)OC(=O)c1ccc(F)cc1F ZINC000766403364 585501997 /nfs/dbraw/zinc/50/19/97/585501997.db2.gz IRZMNDXEWRJJQH-JTQLQIEISA-N 0 0 242.265 3.700 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1ccc(F)cc1F ZINC000766403368 585501911 /nfs/dbraw/zinc/50/19/11/585501911.db2.gz IRZMNDXEWRJJQH-SNVBAGLBSA-N 0 0 242.265 3.700 20 0 BHADRN CCC[C@@H](CC)OC(=O)CCc1cccs1 ZINC000766403417 585501947 /nfs/dbraw/zinc/50/19/47/585501947.db2.gz NLLJMVLJJGQTHL-LLVKDONJSA-N 0 0 240.368 3.803 20 0 BHADRN CCC[C@H](CC)OC(=O)CCc1cccs1 ZINC000766403424 585501894 /nfs/dbraw/zinc/50/18/94/585501894.db2.gz NLLJMVLJJGQTHL-NSHDSACASA-N 0 0 240.368 3.803 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@H](C)c1ccco1 ZINC000766403677 585501896 /nfs/dbraw/zinc/50/18/96/585501896.db2.gz ISUBNZUFWMLIBT-GHMZBOCLSA-N 0 0 224.300 3.505 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@H](C)c1ccco1 ZINC000766403678 585501957 /nfs/dbraw/zinc/50/19/57/585501957.db2.gz ISUBNZUFWMLIBT-MNOVXSKESA-N 0 0 224.300 3.505 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@@H](C)c1ccco1 ZINC000766403679 585501971 /nfs/dbraw/zinc/50/19/71/585501971.db2.gz ISUBNZUFWMLIBT-QWRGUYRKSA-N 0 0 224.300 3.505 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@@H](C)c1ccco1 ZINC000766403680 585501873 /nfs/dbraw/zinc/50/18/73/585501873.db2.gz ISUBNZUFWMLIBT-WDEREUQCSA-N 0 0 224.300 3.505 20 0 BHADRN CCC[C@@H](CC)OC(=O)Cc1ccc(C)s1 ZINC000766403969 585502016 /nfs/dbraw/zinc/50/20/16/585502016.db2.gz SHSIRMYBYKYAFW-LLVKDONJSA-N 0 0 240.368 3.721 20 0 BHADRN CCC[C@H](CC)OC(=O)Cc1ccc(C)s1 ZINC000766403973 585501809 /nfs/dbraw/zinc/50/18/09/585501809.db2.gz SHSIRMYBYKYAFW-NSHDSACASA-N 0 0 240.368 3.721 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@H](C)c1cccs1 ZINC000766403979 641872580 /nfs/dbraw/zinc/87/25/80/641872580.db2.gz MIIMERZYKSWNOR-GHMZBOCLSA-N 0 0 240.368 3.974 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@H](C)c1cccs1 ZINC000766403990 641872757 /nfs/dbraw/zinc/87/27/57/641872757.db2.gz MIIMERZYKSWNOR-MNOVXSKESA-N 0 0 240.368 3.974 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@@H](C)c1cccs1 ZINC000766403995 641872465 /nfs/dbraw/zinc/87/24/65/641872465.db2.gz MIIMERZYKSWNOR-QWRGUYRKSA-N 0 0 240.368 3.974 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@@H](C)c1cccs1 ZINC000766403998 641872272 /nfs/dbraw/zinc/87/22/72/641872272.db2.gz MIIMERZYKSWNOR-WDEREUQCSA-N 0 0 240.368 3.974 20 0 BHADRN CCC[C@H](CC)OC(=O)c1ncoc1C(C)C ZINC000766404010 641872735 /nfs/dbraw/zinc/87/27/35/641872735.db2.gz MMRVHENISZOXBD-JTQLQIEISA-N 0 0 239.315 3.534 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1ncoc1C(C)C ZINC000766404032 641872953 /nfs/dbraw/zinc/87/29/53/641872953.db2.gz MMRVHENISZOXBD-SNVBAGLBSA-N 0 0 239.315 3.534 20 0 BHADRN CCC[C@@H](CC)OC(=O)CCCCSC ZINC000766404182 585501881 /nfs/dbraw/zinc/50/18/81/585501881.db2.gz QJDBAQCPPYKSML-LLVKDONJSA-N 0 0 232.389 3.642 20 0 BHADRN CCC[C@H](CC)OC(=O)CCCCSC ZINC000766404184 585501838 /nfs/dbraw/zinc/50/18/38/585501838.db2.gz QJDBAQCPPYKSML-NSHDSACASA-N 0 0 232.389 3.642 20 0 BHADRN CCC[C@H](CC)OC(=O)CSC(C)(C)C ZINC000766404424 585501956 /nfs/dbraw/zinc/50/19/56/585501956.db2.gz SRPLNWYWRJFYFT-JTQLQIEISA-N 0 0 232.389 3.640 20 0 BHADRN CCC[C@@H](CC)OC(=O)CSC(C)(C)C ZINC000766404427 585501913 /nfs/dbraw/zinc/50/19/13/585501913.db2.gz SRPLNWYWRJFYFT-SNVBAGLBSA-N 0 0 232.389 3.640 20 0 BHADRN CCC[C@@H](CC)OC(=O)C[C@@H](C)n1cccc1 ZINC000766404480 585501855 /nfs/dbraw/zinc/50/18/55/585501855.db2.gz UGLNGMDMNRWQBA-CHWSQXEVSA-N 0 0 237.343 3.561 20 0 BHADRN CCC[C@H](CC)OC(=O)C[C@@H](C)n1cccc1 ZINC000766404482 585501854 /nfs/dbraw/zinc/50/18/54/585501854.db2.gz 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YHQAMWBSKOWOQS-VXGBXAGGSA-N 0 0 238.327 3.813 20 0 BHADRN CCC[C@H](CC)OC(=O)c1ccccc1F ZINC000766405412 585501885 /nfs/dbraw/zinc/50/18/85/585501885.db2.gz XSEBHQZYUIGAPB-JTQLQIEISA-N 0 0 224.275 3.561 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1ccccc1F ZINC000766405413 585501862 /nfs/dbraw/zinc/50/18/62/585501862.db2.gz XSEBHQZYUIGAPB-SNVBAGLBSA-N 0 0 224.275 3.561 20 0 BHADRN CCC[C@H](CC)OC(=O)CC(C)(C)C ZINC000766405422 585502017 /nfs/dbraw/zinc/50/20/17/585502017.db2.gz XSUMWXHEJVLDJF-JTQLQIEISA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@@H](CC)OC(=O)CC(C)(C)C ZINC000766405424 585501841 /nfs/dbraw/zinc/50/18/41/585501841.db2.gz XSUMWXHEJVLDJF-SNVBAGLBSA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@H](CC)OC(=O)c1cc(F)ccc1F ZINC000766405756 585501980 /nfs/dbraw/zinc/50/19/80/585501980.db2.gz UAUINMTWVWPVFP-JTQLQIEISA-N 0 0 242.265 3.700 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1cc(F)ccc1F ZINC000766405760 585501846 /nfs/dbraw/zinc/50/18/46/585501846.db2.gz UAUINMTWVWPVFP-SNVBAGLBSA-N 0 0 242.265 3.700 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@@H](C)c1ccsc1 ZINC000766408480 585502004 /nfs/dbraw/zinc/50/20/04/585502004.db2.gz CZNRHNUHIUTAFG-CMPLNLGQSA-N 0 0 240.368 3.974 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@@H](C)c1ccsc1 ZINC000766408481 585501949 /nfs/dbraw/zinc/50/19/49/585501949.db2.gz CZNRHNUHIUTAFG-JQWIXIFHSA-N 0 0 240.368 3.974 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@H](C)c1ccsc1 ZINC000766408482 585501811 /nfs/dbraw/zinc/50/18/11/585501811.db2.gz CZNRHNUHIUTAFG-PWSUYJOCSA-N 0 0 240.368 3.974 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@H](C)c1ccsc1 ZINC000766408483 585501968 /nfs/dbraw/zinc/50/19/68/585501968.db2.gz CZNRHNUHIUTAFG-ZYHUDNBSSA-N 0 0 240.368 3.974 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1cccc(C(C)C)n1 ZINC000766410060 585502063 /nfs/dbraw/zinc/50/20/63/585502063.db2.gz YTQIWCXEHBJGNM-GFCCVEGCSA-N 0 0 249.354 3.941 20 0 BHADRN CCC[C@H](CC)OC(=O)c1cccc(C(C)C)n1 ZINC000766410061 585502168 /nfs/dbraw/zinc/50/21/68/585502168.db2.gz YTQIWCXEHBJGNM-LBPRGKRZSA-N 0 0 249.354 3.941 20 0 BHADRN CCC[C@@H](CC)OC(=O)C[C@@H](OCC)C(C)C ZINC000766410091 585502155 /nfs/dbraw/zinc/50/21/55/585502155.db2.gz ZWUPHVANUVVDKN-CHWSQXEVSA-N 0 0 244.375 3.560 20 0 BHADRN CCC[C@@H](CC)OC(=O)C[C@H](OCC)C(C)C ZINC000766410092 585502183 /nfs/dbraw/zinc/50/21/83/585502183.db2.gz ZWUPHVANUVVDKN-OLZOCXBDSA-N 0 0 244.375 3.560 20 0 BHADRN CCC[C@H](CC)OC(=O)C[C@@H](OCC)C(C)C ZINC000766410093 585502129 /nfs/dbraw/zinc/50/21/29/585502129.db2.gz ZWUPHVANUVVDKN-QWHCGFSZSA-N 0 0 244.375 3.560 20 0 BHADRN CCC[C@H](CC)OC(=O)C[C@H](OCC)C(C)C ZINC000766410094 585502219 /nfs/dbraw/zinc/50/22/19/585502219.db2.gz ZWUPHVANUVVDKN-STQMWFEESA-N 0 0 244.375 3.560 20 0 BHADRN Fc1ncccc1OCC1CCCCCC1 ZINC000766413711 585502199 /nfs/dbraw/zinc/50/21/99/585502199.db2.gz PCSRAVULDUNPQQ-UHFFFAOYSA-N 0 0 223.291 3.570 20 0 BHADRN CC(C)(C(=O)NCc1ccoc1)C1CCCCC1 ZINC000766452086 585502686 /nfs/dbraw/zinc/50/26/86/585502686.db2.gz KGRSQGMNOGAXGL-UHFFFAOYSA-N 0 0 249.354 3.502 20 0 BHADRN CC(C)(C(=O)N1CCC1(C)C)C1CCCCC1 ZINC000766463490 585502984 /nfs/dbraw/zinc/50/29/84/585502984.db2.gz FFMXQOXFBISUGD-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)(C(=O)N[C@H]1CC=CCC1)C1CCCCC1 ZINC000766465726 585503056 /nfs/dbraw/zinc/50/30/56/585503056.db2.gz SJBAYKPSDKLSQW-AWEZNQCLSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)(C(=O)N[C@@H]1CC=CCC1)C1CCCCC1 ZINC000766465729 585502876 /nfs/dbraw/zinc/50/28/76/585502876.db2.gz SJBAYKPSDKLSQW-CQSZACIVSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H]1CCCN1C(=O)C(C)(C)C1CCCCC1 ZINC000766482726 585502885 /nfs/dbraw/zinc/50/28/85/585502885.db2.gz ILTUCBIDCLLSPA-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@H]1CCCN1C(=O)C(C)(C)C1CCCCC1 ZINC000766482727 585502989 /nfs/dbraw/zinc/50/29/89/585502989.db2.gz ILTUCBIDCLLSPA-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CN(C(=O)C(C)(C)C1CCCCC1)C1CCC1 ZINC000766483564 585502895 /nfs/dbraw/zinc/50/28/95/585502895.db2.gz OJEGFKUEFILQLJ-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)(C(=O)NCCC1CC1)C1CCCCC1 ZINC000766485028 585503102 /nfs/dbraw/zinc/50/31/02/585503102.db2.gz YGLTYJXOTPEOLM-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CC(C)(C(=O)NCC1(C)CC1)C1CCCCC1 ZINC000766485828 585502908 /nfs/dbraw/zinc/50/29/08/585502908.db2.gz GMICYRYWRJDTEH-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN c1coc(-c2ccc(NCc3ccoc3)cc2)n1 ZINC000766492741 585503372 /nfs/dbraw/zinc/50/33/72/585503372.db2.gz WARUFPBKMRKJSG-UHFFFAOYSA-N 0 0 240.262 3.547 20 0 BHADRN CC(C)C(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000766537323 585503945 /nfs/dbraw/zinc/50/39/45/585503945.db2.gz HFEMESPILBGBCB-MRVPVSSYSA-N 0 0 244.743 3.588 20 0 BHADRN CC(C)C(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000766537324 585503884 /nfs/dbraw/zinc/50/38/84/585503884.db2.gz HFEMESPILBGBCB-QMMMGPOBSA-N 0 0 244.743 3.588 20 0 BHADRN CCCC(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000766537395 585503831 /nfs/dbraw/zinc/50/38/31/585503831.db2.gz HWARANUBBYSBIE-MRVPVSSYSA-N 0 0 244.743 3.732 20 0 BHADRN CCCC(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000766537398 585503953 /nfs/dbraw/zinc/50/39/53/585503953.db2.gz HWARANUBBYSBIE-QMMMGPOBSA-N 0 0 244.743 3.732 20 0 BHADRN CCC(C)(C)c1ccc(OC(C)=O)c(Cl)c1 ZINC000766555457 585504099 /nfs/dbraw/zinc/50/40/99/585504099.db2.gz BYGHIVXDUFYVLW-UHFFFAOYSA-N 0 0 240.730 3.953 20 0 BHADRN C[C@H](CC(=O)NCCC1=CCCCCC1)C1CC1 ZINC000766557386 585504076 /nfs/dbraw/zinc/50/40/76/585504076.db2.gz AQTMUOAZZQLBPX-CYBMUJFWSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@@H](CC(=O)NCCC1=CCCCCC1)C1CC1 ZINC000766557387 585504069 /nfs/dbraw/zinc/50/40/69/585504069.db2.gz AQTMUOAZZQLBPX-ZDUSSCGKSA-N 0 0 249.398 3.819 20 0 BHADRN CC/C=C(/C)C(=O)NCCC1=CCCCCC1 ZINC000766558131 584942286 /nfs/dbraw/zinc/94/22/86/584942286.db2.gz BDFBWCLROIODBQ-JYRVWZFOSA-N 0 0 235.371 3.740 20 0 BHADRN CC/C=C(\C)C(=O)NCCC1=CCCCCC1 ZINC000766558137 584942196 /nfs/dbraw/zinc/94/21/96/584942196.db2.gz BDFBWCLROIODBQ-MDWZMJQESA-N 0 0 235.371 3.740 20 0 BHADRN O=C(C=C1CCCC1)NCCC1=CCCCCC1 ZINC000766559467 585504166 /nfs/dbraw/zinc/50/41/66/585504166.db2.gz NHETYLZYZAGQSZ-UHFFFAOYSA-N 0 0 247.382 3.884 20 0 BHADRN C/C=C/C=C\C(=O)NCCC1=CCCCCC1 ZINC000766560164 585504094 /nfs/dbraw/zinc/50/40/94/585504094.db2.gz RYHPYYFSYLYFBO-OKAJUWNNSA-N 0 0 233.355 3.516 20 0 BHADRN C/C(=C\C(=O)NCCC1=CCCCCC1)C1CC1 ZINC000766561204 585504020 /nfs/dbraw/zinc/50/40/20/585504020.db2.gz YKRSUPNNUFAZHE-OUKQBFOZSA-N 0 0 247.382 3.740 20 0 BHADRN C/C(=C/C(=O)NCCC1=CCCCCC1)C1CC1 ZINC000766561207 585504141 /nfs/dbraw/zinc/50/41/41/585504141.db2.gz YKRSUPNNUFAZHE-SEYXRHQNSA-N 0 0 247.382 3.740 20 0 BHADRN CC(C)(C)OC(=O)NCCC1=CCCCCC1 ZINC000766567535 585504106 /nfs/dbraw/zinc/50/41/06/585504106.db2.gz AZOMSMAHNKHJDU-UHFFFAOYSA-N 0 0 239.359 3.792 20 0 BHADRN CC(=O)O[C@@H]1c2cc(Cl)ccc2CC1(C)C ZINC000766577842 585504073 /nfs/dbraw/zinc/50/40/73/585504073.db2.gz KSKUDUBGRGMOBQ-GFCCVEGCSA-N 0 0 238.714 3.527 20 0 BHADRN CC(=O)O[C@H]1c2cc(Cl)ccc2CC1(C)C ZINC000766577843 585504119 /nfs/dbraw/zinc/50/41/19/585504119.db2.gz KSKUDUBGRGMOBQ-LBPRGKRZSA-N 0 0 238.714 3.527 20 0 BHADRN CCC/C(C)=C\C(=O)NCc1c(C)cccc1C ZINC000766582678 585504115 /nfs/dbraw/zinc/50/41/15/585504115.db2.gz FSHSJAKKSWHHPH-BENRWUELSA-N 0 0 245.366 3.666 20 0 BHADRN CCC/C(C)=C/C(=O)NCc1c(C)cccc1C ZINC000766582680 585504014 /nfs/dbraw/zinc/50/40/14/585504014.db2.gz FSHSJAKKSWHHPH-ZRDIBKRKSA-N 0 0 245.366 3.666 20 0 BHADRN Cc1cccc(C)c1CNC(=O)[C@@H](C)C(C)(C)C ZINC000766583129 585504075 /nfs/dbraw/zinc/50/40/75/585504075.db2.gz BIFGFWQTLHJQCK-CYBMUJFWSA-N 0 0 247.382 3.602 20 0 BHADRN Cc1cccc(C)c1CNC(=O)[C@H](C)C(C)(C)C ZINC000766583131 585504049 /nfs/dbraw/zinc/50/40/49/585504049.db2.gz BIFGFWQTLHJQCK-ZDUSSCGKSA-N 0 0 247.382 3.602 20 0 BHADRN Cc1cccc(C)c1CNC(=O)CCC(C)(C)C ZINC000766585400 585504066 /nfs/dbraw/zinc/50/40/66/585504066.db2.gz PJGNZEYUKBJBCX-UHFFFAOYSA-N 0 0 247.382 3.746 20 0 BHADRN CCCCCCC(=O)NCc1c(C)cccc1C ZINC000766585676 585504018 /nfs/dbraw/zinc/50/40/18/585504018.db2.gz UKPPUTUOULXCEO-UHFFFAOYSA-N 0 0 247.382 3.890 20 0 BHADRN Cc1cccc(C)c1CNC(=O)/C=C\C(C)(C)C ZINC000766592715 585504232 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MEZDROAHTDUVIT-QMMMGPOBSA-N 0 0 242.315 3.503 20 0 BHADRN CCc1cccnc1C(=O)OCCC(C)(C)CC ZINC000766649962 585504540 /nfs/dbraw/zinc/50/45/40/585504540.db2.gz PTRUGPUQUINKLQ-UHFFFAOYSA-N 0 0 249.354 3.627 20 0 BHADRN CC(C)(c1nc(CC2CC2)no1)C1CCCCC1 ZINC000766725113 712413071 /nfs/dbraw/zinc/41/30/71/712413071.db2.gz MWTCCTHCCWLGCF-UHFFFAOYSA-N 0 0 248.370 3.880 20 0 BHADRN CC(C)(c1nc(C2CC2)no1)C1CCCCC1 ZINC000766725867 712413059 /nfs/dbraw/zinc/41/30/59/712413059.db2.gz RAIRNPSBGWQXOZ-UHFFFAOYSA-N 0 0 234.343 3.805 20 0 BHADRN CCCCCOc1cnc(Cl)cc1C ZINC000766753915 585508046 /nfs/dbraw/zinc/50/80/46/585508046.db2.gz ZNYMQYVDCOGEIO-UHFFFAOYSA-N 0 0 213.708 3.612 20 0 BHADRN COC(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC000766796682 585508377 /nfs/dbraw/zinc/50/83/77/585508377.db2.gz WKMGAFQBSYMMIB-SREVYHEPSA-N 0 0 245.105 3.570 20 0 BHADRN COC(=O)/C(C)=C/c1c(Cl)cccc1Cl ZINC000766796687 585508260 /nfs/dbraw/zinc/50/82/60/585508260.db2.gz WKMGAFQBSYMMIB-VOTSOKGWSA-N 0 0 245.105 3.570 20 0 BHADRN COc1cc(C)c(NCc2ccccc2)cc1C ZINC000766797521 585508309 /nfs/dbraw/zinc/50/83/09/585508309.db2.gz SZBORKLYEPIIQU-UHFFFAOYSA-N 0 0 241.334 3.924 20 0 BHADRN COc1cc(C)c(NCCC(F)(F)F)cc1C ZINC000766798101 585508292 /nfs/dbraw/zinc/50/82/92/585508292.db2.gz PFDXGSNMWWTQDF-UHFFFAOYSA-N 0 0 247.260 3.676 20 0 BHADRN CC(C)=C(C)C(=O)NCCC1=CCCCCC1 ZINC000766814796 585508676 /nfs/dbraw/zinc/50/86/76/585508676.db2.gz PPEBLZQPQJROLR-UHFFFAOYSA-N 0 0 235.371 3.740 20 0 BHADRN CC1CC(NC(=O)C(C)(C)C2CCCCC2)C1 ZINC000766818594 585508552 /nfs/dbraw/zinc/50/85/52/585508552.db2.gz CDZCGWDSESJIIW-UHFFFAOYSA-N 0 0 237.387 3.508 20 0 BHADRN CCc1ccccc1CCSCCSC ZINC000766821221 585508560 /nfs/dbraw/zinc/50/85/60/585508560.db2.gz JXLFLYPZZJJENI-UHFFFAOYSA-N 0 0 240.437 3.888 20 0 BHADRN CC1=CCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC000766834210 644670237 /nfs/dbraw/zinc/67/02/37/644670237.db2.gz OJTXQDXLJGEKCB-UHFFFAOYSA-N 0 0 249.398 3.772 20 0 BHADRN CCN(CCCF)c1ccc(Cl)cc1 ZINC000766863815 585508915 /nfs/dbraw/zinc/50/89/15/585508915.db2.gz GRPAAGAWRTYDSO-UHFFFAOYSA-N 0 0 215.699 3.526 20 0 BHADRN Cc1ccc(N(CCCF)C(C)C)cc1 ZINC000766872705 585508790 /nfs/dbraw/zinc/50/87/90/585508790.db2.gz PTEPSDBFLNHSAJ-UHFFFAOYSA-N 0 0 209.308 3.569 20 0 BHADRN CCN(C(=O)C(C)=C1CCCC1)[C@H](C)C(C)C ZINC000766892299 585509439 /nfs/dbraw/zinc/50/94/39/585509439.db2.gz PRHSKEXGBRERCH-CYBMUJFWSA-N 0 0 237.387 3.770 20 0 BHADRN CCN(C(=O)C(C)=C1CCCC1)[C@@H](C)C(C)C ZINC000766892303 585509637 /nfs/dbraw/zinc/50/96/37/585509637.db2.gz PRHSKEXGBRERCH-ZDUSSCGKSA-N 0 0 237.387 3.770 20 0 BHADRN CS[C@H](C)CC(=O)OCCCC1CCCC1 ZINC000766918571 585511441 /nfs/dbraw/zinc/51/14/41/585511441.db2.gz NYFAXZGDOYTRNC-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CS[C@@H](C)CC(=O)OCCCC1CCCC1 ZINC000766918575 585511616 /nfs/dbraw/zinc/51/16/16/585511616.db2.gz NYFAXZGDOYTRNC-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CC(C)OC(=O)C(C)(C)C1CCCCC1 ZINC000767041629 585512792 /nfs/dbraw/zinc/51/27/92/585512792.db2.gz BOVIZYIMKOSUQS-UHFFFAOYSA-N 0 0 212.333 3.545 20 0 BHADRN CCC(C)(CC)C(=O)OCc1ccccc1F ZINC000767045377 585513102 /nfs/dbraw/zinc/51/31/02/585513102.db2.gz ARPAZVPZHPVBOB-UHFFFAOYSA-N 0 0 238.302 3.695 20 0 BHADRN CCC(C)(CC)C(=O)OCc1ccc(F)cc1 ZINC000767045445 585513061 /nfs/dbraw/zinc/51/30/61/585513061.db2.gz FZQRYZLPNYDQDU-UHFFFAOYSA-N 0 0 238.302 3.695 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C(C)(CC)CC ZINC000767047036 585513138 /nfs/dbraw/zinc/51/31/38/585513138.db2.gz QFXDZVUUEQMMBH-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)C(C)(CC)CC ZINC000767047038 585513152 /nfs/dbraw/zinc/51/31/52/585513152.db2.gz QFXDZVUUEQMMBH-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCC(C)(CC)C(=O)Oc1ccc(C)cc1 ZINC000767049851 585513125 /nfs/dbraw/zinc/51/31/25/585513125.db2.gz RPLXRAZUCHPXDC-UHFFFAOYSA-N 0 0 220.312 3.727 20 0 BHADRN CCC(C)(CC)C(=O)Oc1cccc(C)c1 ZINC000767049971 585513158 /nfs/dbraw/zinc/51/31/58/585513158.db2.gz UQTFJNKKXHCHFJ-UHFFFAOYSA-N 0 0 220.312 3.727 20 0 BHADRN CC/C=C/CCOc1cc(OCC)ccc1C=O ZINC000767050293 585513002 /nfs/dbraw/zinc/51/30/02/585513002.db2.gz NFOWGPZCIKRAEW-AATRIKPKSA-N 0 0 248.322 3.633 20 0 BHADRN CC/C=C\CCOc1cc(OCC)ccc1C=O ZINC000767050294 585513169 /nfs/dbraw/zinc/51/31/69/585513169.db2.gz NFOWGPZCIKRAEW-WAYWQWQTSA-N 0 0 248.322 3.633 20 0 BHADRN CC/C=C/CCOc1ccc(C=O)cc1OCC ZINC000767050556 585513075 /nfs/dbraw/zinc/51/30/75/585513075.db2.gz RLTAWHLJXFSAMP-AATRIKPKSA-N 0 0 248.322 3.633 20 0 BHADRN CC/C=C\CCOc1ccc(C=O)cc1OCC ZINC000767050559 585513159 /nfs/dbraw/zinc/51/31/59/585513159.db2.gz RLTAWHLJXFSAMP-WAYWQWQTSA-N 0 0 248.322 3.633 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1c(C)cccc1OC ZINC000767051603 585513109 /nfs/dbraw/zinc/51/31/09/585513109.db2.gz IQHRDPWFLKNREP-BENRWUELSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1c(C)cccc1OC ZINC000767051605 585513080 /nfs/dbraw/zinc/51/30/80/585513080.db2.gz IQHRDPWFLKNREP-ZRDIBKRKSA-N 0 0 247.338 3.689 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1c(C)cccc1OC ZINC000767053415 585513183 /nfs/dbraw/zinc/51/31/83/585513183.db2.gz XYDHZLNBORZGKB-KHPPLWFESA-N 0 0 247.338 3.689 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1c(C)cccc1OC ZINC000767053417 585513223 /nfs/dbraw/zinc/51/32/23/585513223.db2.gz XYDHZLNBORZGKB-ZHACJKMWSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C=C/CCSC(=S)N(CC)CC ZINC000767055190 585513361 /nfs/dbraw/zinc/51/33/61/585513361.db2.gz VYFBNOXCLBXSHH-BQYQJAHWSA-N 0 0 231.430 3.703 20 0 BHADRN CC/C=C\CCSC(=S)N(CC)CC ZINC000767055191 585513332 /nfs/dbraw/zinc/51/33/32/585513332.db2.gz VYFBNOXCLBXSHH-FPLPWBNLSA-N 0 0 231.430 3.703 20 0 BHADRN CCSCCSCc1ccc(OC)cc1 ZINC000767059929 585513204 /nfs/dbraw/zinc/51/32/04/585513204.db2.gz YQKHJGRKNVGONW-UHFFFAOYSA-N 0 0 242.409 3.682 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@@H](C)C(C)(C)C ZINC000767077245 585513535 /nfs/dbraw/zinc/51/35/35/585513535.db2.gz LODGAOPJMIFJII-LLVKDONJSA-N 0 0 227.392 3.611 20 0 BHADRN CCC(C)(CC)C(=O)NC[C@H](C)C(C)(C)C ZINC000767077246 585512754 /nfs/dbraw/zinc/51/27/54/585512754.db2.gz LODGAOPJMIFJII-NSHDSACASA-N 0 0 227.392 3.611 20 0 BHADRN CC/C=C\CCSc1nccn1C1CC1 ZINC000767085759 585513808 /nfs/dbraw/zinc/51/38/08/585513808.db2.gz CZJMMYGJCXBXKL-ARJAWSKDSA-N 0 0 222.357 3.666 20 0 BHADRN CC/C=C/CCSc1nccn1C1CC1 ZINC000767085765 585513603 /nfs/dbraw/zinc/51/36/03/585513603.db2.gz CZJMMYGJCXBXKL-ONEGZZNKSA-N 0 0 222.357 3.666 20 0 BHADRN CC/C=C\CCSc1ccc(Cl)nn1 ZINC000767086380 585513778 /nfs/dbraw/zinc/51/37/78/585513778.db2.gz SOHGWBVSRLZGBQ-ARJAWSKDSA-N 0 0 228.748 3.578 20 0 BHADRN CC/C=C/CCSc1ccc(Cl)nn1 ZINC000767086382 585513782 /nfs/dbraw/zinc/51/37/82/585513782.db2.gz SOHGWBVSRLZGBQ-ONEGZZNKSA-N 0 0 228.748 3.578 20 0 BHADRN CC/C=C/CCOc1ccc(OCC)cc1C=O ZINC000767092185 585513915 /nfs/dbraw/zinc/51/39/15/585513915.db2.gz VBKAWLFPBMWUJX-AATRIKPKSA-N 0 0 248.322 3.633 20 0 BHADRN CC/C=C\CCOc1ccc(OCC)cc1C=O ZINC000767092187 585513886 /nfs/dbraw/zinc/51/38/86/585513886.db2.gz VBKAWLFPBMWUJX-WAYWQWQTSA-N 0 0 248.322 3.633 20 0 BHADRN CCC(C)(CC)C(=O)OCc1ccc(C)s1 ZINC000767098955 644673010 /nfs/dbraw/zinc/67/30/10/644673010.db2.gz VDDYQZCDXRNGRH-UHFFFAOYSA-N 0 0 240.368 3.926 20 0 BHADRN CCC(C)(CC)C(=O)N1CCc2cc(C)ccc21 ZINC000767102204 585514241 /nfs/dbraw/zinc/51/42/41/585514241.db2.gz KBRCLBNGEGLKDX-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN Cc1oc2ccccc2c1C(=O)O[C@H](C)C1CC1 ZINC000767114796 585514454 /nfs/dbraw/zinc/51/44/54/585514454.db2.gz RDZLJEZGYWKERR-SECBINFHSA-N 0 0 244.290 3.697 20 0 BHADRN Cc1oc2ccccc2c1C(=O)O[C@@H](C)C1CC1 ZINC000767114798 585514513 /nfs/dbraw/zinc/51/45/13/585514513.db2.gz RDZLJEZGYWKERR-VIFPVBQESA-N 0 0 244.290 3.697 20 0 BHADRN C[C@@H](OC(=O)c1cccc2ccsc21)C1CC1 ZINC000767115249 585514519 /nfs/dbraw/zinc/51/45/19/585514519.db2.gz UFNRSVVABBKZGE-SECBINFHSA-N 0 0 246.331 3.857 20 0 BHADRN C[C@H](OC(=O)c1cccc2ccsc21)C1CC1 ZINC000767115250 585514552 /nfs/dbraw/zinc/51/45/52/585514552.db2.gz UFNRSVVABBKZGE-VIFPVBQESA-N 0 0 246.331 3.857 20 0 BHADRN CCC(C)(CC)C(=O)Oc1cccc(C)c1F ZINC000767122162 585514409 /nfs/dbraw/zinc/51/44/09/585514409.db2.gz MWRXZWVXAKQOEE-UHFFFAOYSA-N 0 0 238.302 3.866 20 0 BHADRN CCC(C)(CC)C(=O)OCc1sccc1C ZINC000767122270 585514358 /nfs/dbraw/zinc/51/43/58/585514358.db2.gz NUECSKNCWNJYRT-UHFFFAOYSA-N 0 0 240.368 3.926 20 0 BHADRN CCC(=CC(=O)N(CC1CCC1)C(C)C)CC ZINC000767126855 585514547 /nfs/dbraw/zinc/51/45/47/585514547.db2.gz HRDKJEBLHKWTPB-UHFFFAOYSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)C=C1CCCC1 ZINC000767126997 585514535 /nfs/dbraw/zinc/51/45/35/585514535.db2.gz IVJHKDHGVIQZME-UHFFFAOYSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCCCC(=O)N(CC1CCC1)C(C)C ZINC000767127406 585514553 /nfs/dbraw/zinc/51/45/53/585514553.db2.gz MNPMHOFDHRJZHB-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)/C=C\C(C)(C)C ZINC000767128504 585514732 /nfs/dbraw/zinc/51/47/32/585514732.db2.gz ZZHBRIZVCPQGFC-KTKRTIGZSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)/C=C/C(C)(C)C ZINC000767128507 585514692 /nfs/dbraw/zinc/51/46/92/585514692.db2.gz ZZHBRIZVCPQGFC-MDZDMXLPSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)/C=C1\CC[C@H](C)C1 ZINC000767130966 585514641 /nfs/dbraw/zinc/51/46/41/585514641.db2.gz OAVXGZIPEFTGBC-LERPTODRSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)/C=C1/CC[C@@H](C)C1 ZINC000767130967 585514819 /nfs/dbraw/zinc/51/48/19/585514819.db2.gz OAVXGZIPEFTGBC-NWFCWYBLSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)/C=C1/CC[C@H](C)C1 ZINC000767130968 585514747 /nfs/dbraw/zinc/51/47/47/585514747.db2.gz OAVXGZIPEFTGBC-OJNRTJSBSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)/C=C1\CC[C@@H](C)C1 ZINC000767130969 585514654 /nfs/dbraw/zinc/51/46/54/585514654.db2.gz OAVXGZIPEFTGBC-QQFZQELXSA-N 0 0 249.398 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC1CCC1)C(C)C ZINC000767130983 585514821 /nfs/dbraw/zinc/51/48/21/585514821.db2.gz OMHMYDAXFRBXHJ-JLHYYAGUSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC1CCC1)C(C)C ZINC000767130984 585514812 /nfs/dbraw/zinc/51/48/12/585514812.db2.gz OMHMYDAXFRBXHJ-RAXLEYEMSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(CC1CCC1)C(C)C ZINC000767131344 585514824 /nfs/dbraw/zinc/51/48/24/585514824.db2.gz QRZUGWQHDIBMDK-OUKQBFOZSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(CC1CCC1)C(C)C ZINC000767131346 585514724 /nfs/dbraw/zinc/51/47/24/585514724.db2.gz QRZUGWQHDIBMDK-SEYXRHQNSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)N(CC1CCC1)C(=O)C=C1CCCCC1 ZINC000767131868 585514734 /nfs/dbraw/zinc/51/47/34/585514734.db2.gz YAMAHHQEJKJPAF-UHFFFAOYSA-N 0 0 249.398 3.914 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000767138338 585514648 /nfs/dbraw/zinc/51/46/48/585514648.db2.gz QHAIANJAHOEDIE-GFCCVEGCSA-N 0 0 249.379 3.598 20 0 BHADRN CC(C)=C(C)C(=O)N[C@H]1CCCc2sccc21 ZINC000767138339 585514726 /nfs/dbraw/zinc/51/47/26/585514726.db2.gz QHAIANJAHOEDIE-LBPRGKRZSA-N 0 0 249.379 3.598 20 0 BHADRN CC/C=C\CCOc1c(C)ccnc1Cl ZINC000767142896 585514776 /nfs/dbraw/zinc/51/47/76/585514776.db2.gz YNHAYRLQGPXGMC-PLNGDYQASA-N 0 0 225.719 3.779 20 0 BHADRN CC/C=C/CCOc1c(C)ccnc1Cl ZINC000767142900 585514690 /nfs/dbraw/zinc/51/46/90/585514690.db2.gz YNHAYRLQGPXGMC-SNAWJCMRSA-N 0 0 225.719 3.779 20 0 BHADRN Cc1cnc(N2Cc3ccccc3[C@@H](C)C2)s1 ZINC000767166038 585514930 /nfs/dbraw/zinc/51/49/30/585514930.db2.gz AXKXYRKPHVSOMT-JTQLQIEISA-N 0 0 244.363 3.575 20 0 BHADRN Cc1cnc(N2Cc3ccccc3[C@H](C)C2)s1 ZINC000767166042 585514976 /nfs/dbraw/zinc/51/49/76/585514976.db2.gz AXKXYRKPHVSOMT-SNVBAGLBSA-N 0 0 244.363 3.575 20 0 BHADRN C(Nc1nnc(C2CC2)o1)C1CCCCCCC1 ZINC000767179634 585515154 /nfs/dbraw/zinc/51/51/54/585515154.db2.gz DNTLWIYVQYCGSM-UHFFFAOYSA-N 0 0 249.358 3.719 20 0 BHADRN CCCCCC[C@H](C)Nc1nnc(C2CC2)o1 ZINC000767181104 585515159 /nfs/dbraw/zinc/51/51/59/585515159.db2.gz ZGEREAWXHJCDAU-JTQLQIEISA-N 0 0 237.347 3.718 20 0 BHADRN CCCCCC[C@@H](C)Nc1nnc(C2CC2)o1 ZINC000767181105 585515236 /nfs/dbraw/zinc/51/52/36/585515236.db2.gz ZGEREAWXHJCDAU-SNVBAGLBSA-N 0 0 237.347 3.718 20 0 BHADRN CCC(C)(C)CC(=O)Nc1ccc(COC)cc1 ZINC000767185259 585515283 /nfs/dbraw/zinc/51/52/83/585515283.db2.gz 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226.291 3.516 20 0 BHADRN CCC(C)(CC)C(=O)O[C@@H]1CC[C@@H](C)C1 ZINC000767517884 585521810 /nfs/dbraw/zinc/52/18/10/585521810.db2.gz YWHTYGFLIUYLEL-GHMZBOCLSA-N 0 0 212.333 3.545 20 0 BHADRN CCC(C)(CC)C(=O)O[C@H]1CC[C@@H](C)C1 ZINC000767517885 585521632 /nfs/dbraw/zinc/52/16/32/585521632.db2.gz YWHTYGFLIUYLEL-MNOVXSKESA-N 0 0 212.333 3.545 20 0 BHADRN CCC(C)(CC)C(=O)O[C@H]1CC[C@H](C)C1 ZINC000767517886 585521671 /nfs/dbraw/zinc/52/16/71/585521671.db2.gz YWHTYGFLIUYLEL-QWRGUYRKSA-N 0 0 212.333 3.545 20 0 BHADRN CCC(C)(CC)C(=O)O[C@@H]1CC[C@H](C)C1 ZINC000767517887 585521683 /nfs/dbraw/zinc/52/16/83/585521683.db2.gz YWHTYGFLIUYLEL-WDEREUQCSA-N 0 0 212.333 3.545 20 0 BHADRN CCC(=O)O[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000767559243 585522568 /nfs/dbraw/zinc/52/25/68/585522568.db2.gz QIBOYYIABLTQJH-KBPBESRZSA-N 0 0 232.323 3.584 20 0 BHADRN CCC(=O)O[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000767559244 585522532 /nfs/dbraw/zinc/52/25/32/585522532.db2.gz QIBOYYIABLTQJH-KGLIPLIRSA-N 0 0 232.323 3.584 20 0 BHADRN CCC(=O)O[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000767559245 585522610 /nfs/dbraw/zinc/52/26/10/585522610.db2.gz QIBOYYIABLTQJH-UONOGXRCSA-N 0 0 232.323 3.584 20 0 BHADRN CCC(=O)O[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000767559246 585522387 /nfs/dbraw/zinc/52/23/87/585522387.db2.gz QIBOYYIABLTQJH-ZIAGYGMSSA-N 0 0 232.323 3.584 20 0 BHADRN Cc1cc(Cl)ccc1C(=O)OC/C=C\Cl ZINC000767578140 585522504 /nfs/dbraw/zinc/52/25/04/585522504.db2.gz SIPFRPBLFVCDLQ-DJWKRKHSSA-N 0 0 245.105 3.558 20 0 BHADRN Cc1cc(Cl)ccc1C(=O)OC/C=C/Cl ZINC000767578223 585522690 /nfs/dbraw/zinc/52/26/90/585522690.db2.gz SIPFRPBLFVCDLQ-GORDUTHDSA-N 0 0 245.105 3.558 20 0 BHADRN CCCC(=O)O[C@H]1C[C@H](C)c2c1cccc2C ZINC000767589112 585522985 /nfs/dbraw/zinc/52/29/85/585522985.db2.gz BJNFUTIFEWWMSS-AAEUAGOBSA-N 0 0 232.323 3.887 20 0 BHADRN CCCC(=O)O[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000767589115 585522999 /nfs/dbraw/zinc/52/29/99/585522999.db2.gz BJNFUTIFEWWMSS-DGCLKSJQSA-N 0 0 232.323 3.887 20 0 BHADRN CCCC(=O)O[C@@H]1C[C@H](C)c2c1cccc2C ZINC000767589117 585522742 /nfs/dbraw/zinc/52/27/42/585522742.db2.gz BJNFUTIFEWWMSS-WCQYABFASA-N 0 0 232.323 3.887 20 0 BHADRN CCCC(=O)O[C@H]1C[C@@H](C)c2c1cccc2C ZINC000767589121 585522810 /nfs/dbraw/zinc/52/28/10/585522810.db2.gz BJNFUTIFEWWMSS-YPMHNXCESA-N 0 0 232.323 3.887 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)C(C)C ZINC000767589180 585522747 /nfs/dbraw/zinc/52/27/47/585522747.db2.gz BYFQYZVHXMHVQL-AAEUAGOBSA-N 0 0 232.323 3.743 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)C(C)C ZINC000767589182 585522884 /nfs/dbraw/zinc/52/28/84/585522884.db2.gz BYFQYZVHXMHVQL-DGCLKSJQSA-N 0 0 232.323 3.743 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)C(C)C ZINC000767589185 585522978 /nfs/dbraw/zinc/52/29/78/585522978.db2.gz BYFQYZVHXMHVQL-WCQYABFASA-N 0 0 232.323 3.743 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)C(C)C ZINC000767589188 585522771 /nfs/dbraw/zinc/52/27/71/585522771.db2.gz BYFQYZVHXMHVQL-YPMHNXCESA-N 0 0 232.323 3.743 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)[C@@H]1C[C@H]1C ZINC000767592737 585522875 /nfs/dbraw/zinc/52/28/75/585522875.db2.gz IRRBNJXIFAKLBN-OXHZDVMGSA-N 0 0 244.334 3.743 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)[C@H]1C[C@H]1C ZINC000767592738 585522874 /nfs/dbraw/zinc/52/28/74/585522874.db2.gz IRRBNJXIFAKLBN-RFHZTLPTSA-N 0 0 244.334 3.743 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)[C@@H]1C[C@@H]1C ZINC000767592739 585522855 /nfs/dbraw/zinc/52/28/55/585522855.db2.gz IRRBNJXIFAKLBN-UNJBNNCHSA-N 0 0 244.334 3.743 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)[C@H]1C[C@@H]1C ZINC000767592740 585522910 /nfs/dbraw/zinc/52/29/10/585522910.db2.gz IRRBNJXIFAKLBN-XCCSTKFXSA-N 0 0 244.334 3.743 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)C1CCC1 ZINC000767594284 585522892 /nfs/dbraw/zinc/52/28/92/585522892.db2.gz WTKXMGKGYGMHDU-BXUZGUMPSA-N 0 0 244.334 3.887 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)C1CCC1 ZINC000767594285 585522731 /nfs/dbraw/zinc/52/27/31/585522731.db2.gz WTKXMGKGYGMHDU-FZMZJTMJSA-N 0 0 244.334 3.887 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)C1CCC1 ZINC000767594286 585522820 /nfs/dbraw/zinc/52/28/20/585522820.db2.gz WTKXMGKGYGMHDU-RISCZKNCSA-N 0 0 244.334 3.887 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)C1CCC1 ZINC000767594287 585522877 /nfs/dbraw/zinc/52/28/77/585522877.db2.gz WTKXMGKGYGMHDU-SMDDNHRTSA-N 0 0 244.334 3.887 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)CC1CC1 ZINC000767594890 585522852 /nfs/dbraw/zinc/52/28/52/585522852.db2.gz PCARKHMXQVWCHX-BXUZGUMPSA-N 0 0 244.334 3.887 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)CC1CC1 ZINC000767594892 585522743 /nfs/dbraw/zinc/52/27/43/585522743.db2.gz PCARKHMXQVWCHX-FZMZJTMJSA-N 0 0 244.334 3.887 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)CC1CC1 ZINC000767594894 585522789 /nfs/dbraw/zinc/52/27/89/585522789.db2.gz PCARKHMXQVWCHX-RISCZKNCSA-N 0 0 244.334 3.887 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)CC1CC1 ZINC000767594895 585523000 /nfs/dbraw/zinc/52/30/00/585523000.db2.gz PCARKHMXQVWCHX-SMDDNHRTSA-N 0 0 244.334 3.887 20 0 BHADRN CC/C=C\CCNc1cc(F)c(OC)c(F)c1 ZINC000767607777 585523138 /nfs/dbraw/zinc/52/31/38/585523138.db2.gz DOEQWGBWLSEYAB-PLNGDYQASA-N 0 0 241.281 3.742 20 0 BHADRN CC/C=C/CCNc1cc(F)c(OC)c(F)c1 ZINC000767607778 585523030 /nfs/dbraw/zinc/52/30/30/585523030.db2.gz DOEQWGBWLSEYAB-SNAWJCMRSA-N 0 0 241.281 3.742 20 0 BHADRN CCC(C)(CC)C(=O)O[C@H](C)c1ccncc1 ZINC000767610123 585523194 /nfs/dbraw/zinc/52/31/94/585523194.db2.gz CPBCPFMQKGYVSW-LLVKDONJSA-N 0 0 235.327 3.512 20 0 BHADRN CCC(C)(CC)C(=O)O[C@@H](C)c1ccncc1 ZINC000767610127 585523166 /nfs/dbraw/zinc/52/31/66/585523166.db2.gz CPBCPFMQKGYVSW-NSHDSACASA-N 0 0 235.327 3.512 20 0 BHADRN CCC(C)(CC)C(=O)OCCc1ccsc1 ZINC000767611148 585523027 /nfs/dbraw/zinc/52/30/27/585523027.db2.gz IMOFXDRFBNFMQO-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CCC(C)(CC)C(=O)OCCc1cccs1 ZINC000767611940 585523132 /nfs/dbraw/zinc/52/31/32/585523132.db2.gz ISMBAYPQFRQLSF-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CCC(CC)OC(=O)C(C)(CC)CC ZINC000767612524 585523236 /nfs/dbraw/zinc/52/32/36/585523236.db2.gz TUJYNXHYYDUGFY-UHFFFAOYSA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@H](C)OC(=O)C(C)(CC)CC ZINC000767613209 585523153 /nfs/dbraw/zinc/52/31/53/585523153.db2.gz PJYCZBJWOVVJSV-JTQLQIEISA-N 0 0 200.322 3.545 20 0 BHADRN CCC[C@@H](C)OC(=O)C(C)(CC)CC ZINC000767613211 585523259 /nfs/dbraw/zinc/52/32/59/585523259.db2.gz PJYCZBJWOVVJSV-SNVBAGLBSA-N 0 0 200.322 3.545 20 0 BHADRN CC/C=C/CCNc1ccc2c(c1)C[C@@H](OC)C2 ZINC000767613621 585523250 /nfs/dbraw/zinc/52/32/50/585523250.db2.gz XBLFIDFQGWULAO-APHBUQMISA-N 0 0 245.366 3.568 20 0 BHADRN CC/C=C\CCNc1ccc2c(c1)C[C@@H](OC)C2 ZINC000767613623 585523337 /nfs/dbraw/zinc/52/33/37/585523337.db2.gz XBLFIDFQGWULAO-AWFCHZOYSA-N 0 0 245.366 3.568 20 0 BHADRN CC/C=C/CCNc1ccc2c(c1)C[C@H](OC)C2 ZINC000767613627 585523415 /nfs/dbraw/zinc/52/34/15/585523415.db2.gz XBLFIDFQGWULAO-DWTRPJMMSA-N 0 0 245.366 3.568 20 0 BHADRN CC/C=C\CCNc1ccc2c(c1)C[C@H](OC)C2 ZINC000767613631 585523520 /nfs/dbraw/zinc/52/35/20/585523520.db2.gz XBLFIDFQGWULAO-YIEVGGLXSA-N 0 0 245.366 3.568 20 0 BHADRN CC/C=C\CCNc1cc(F)c(OC)cc1F ZINC000767613748 585523455 /nfs/dbraw/zinc/52/34/55/585523455.db2.gz YGNBTUFCFBJVFJ-PLNGDYQASA-N 0 0 241.281 3.742 20 0 BHADRN CC/C=C/CCNc1cc(F)c(OC)cc1F ZINC000767613749 585523359 /nfs/dbraw/zinc/52/33/59/585523359.db2.gz YGNBTUFCFBJVFJ-SNAWJCMRSA-N 0 0 241.281 3.742 20 0 BHADRN CC/C=C\CCNc1cc(OC)c(OC)cc1C ZINC000767613801 585523468 /nfs/dbraw/zinc/52/34/68/585523468.db2.gz UPQIJICFEXLREZ-SREVYHEPSA-N 0 0 249.354 3.780 20 0 BHADRN CC/C=C/CCNc1cc(OC)c(OC)cc1C ZINC000767613803 585523474 /nfs/dbraw/zinc/52/34/74/585523474.db2.gz UPQIJICFEXLREZ-VOTSOKGWSA-N 0 0 249.354 3.780 20 0 BHADRN CCC(C)(CC)C(=O)OCCCOC(C)(C)C ZINC000767620108 585523393 /nfs/dbraw/zinc/52/33/93/585523393.db2.gz DLRIGCNRTKADLP-UHFFFAOYSA-N 0 0 244.375 3.561 20 0 BHADRN CCC(C)(CC)C(=O)OC[C@@H](C)C(F)(F)F ZINC000767622447 585523406 /nfs/dbraw/zinc/52/34/06/585523406.db2.gz PXSDCRBDOQKLNM-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(C)(CC)C(=O)OC[C@H](C)C(F)(F)F ZINC000767622450 585523424 /nfs/dbraw/zinc/52/34/24/585523424.db2.gz PXSDCRBDOQKLNM-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(C)(CC)C(=O)OC/C(Cl)=C\Cl ZINC000767623067 585523442 /nfs/dbraw/zinc/52/34/42/585523442.db2.gz RGHJEHSFSDWTJR-SOFGYWHQSA-N 0 0 239.142 3.675 20 0 BHADRN CCC(C)(CC)C(=O)OC/C(Cl)=C/Cl ZINC000767623072 585523347 /nfs/dbraw/zinc/52/33/47/585523347.db2.gz RGHJEHSFSDWTJR-VURMDHGXSA-N 0 0 239.142 3.675 20 0 BHADRN CCC(C)(CC)C(=O)OCc1cccc(F)c1 ZINC000767623167 585523507 /nfs/dbraw/zinc/52/35/07/585523507.db2.gz TWGJZPMBNDTISV-UHFFFAOYSA-N 0 0 238.302 3.695 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)/C=C\SC ZINC000767652067 585523912 /nfs/dbraw/zinc/52/39/12/585523912.db2.gz NJJHPXSSOTZFDW-DWOQACPDSA-N 0 0 230.373 3.765 20 0 BHADRN CCCC[C@H](CCC)OC(=O)/C=C\SC ZINC000767652088 585523894 /nfs/dbraw/zinc/52/38/94/585523894.db2.gz NJJHPXSSOTZFDW-JUDLJHIGSA-N 0 0 230.373 3.765 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)/C=C/SC ZINC000767652089 585523881 /nfs/dbraw/zinc/52/38/81/585523881.db2.gz NJJHPXSSOTZFDW-PBQZMEPESA-N 0 0 230.373 3.765 20 0 BHADRN CCCC[C@H](CCC)OC(=O)/C=C/SC ZINC000767652090 585523848 /nfs/dbraw/zinc/52/38/48/585523848.db2.gz NJJHPXSSOTZFDW-USKTWTLRSA-N 0 0 230.373 3.765 20 0 BHADRN CC[C@@H](OC(=O)/C=C\SC)c1ccccc1 ZINC000767655469 585523305 /nfs/dbraw/zinc/52/33/05/585523305.db2.gz XFZINMRTEPRZRK-ZWLSGLHFSA-N 0 0 236.336 3.558 20 0 BHADRN C/C=C(/C=C\C(=O)O[C@H](C)c1cccnc1)CC ZINC000767662277 585524218 /nfs/dbraw/zinc/52/42/18/585524218.db2.gz JBDGNOYUQHXACW-BPLUAKDJSA-N 0 0 245.322 3.598 20 0 BHADRN C/C=C(/C=C/C(=O)O[C@H](C)c1cccnc1)CC ZINC000767662278 585524169 /nfs/dbraw/zinc/52/41/69/585524169.db2.gz JBDGNOYUQHXACW-CFMPZOMASA-N 0 0 245.322 3.598 20 0 BHADRN C/C=C(/C=C/C(=O)O[C@@H](C)c1cccnc1)CC ZINC000767662280 585524057 /nfs/dbraw/zinc/52/40/57/585524057.db2.gz JBDGNOYUQHXACW-DMLJTTSWSA-N 0 0 245.322 3.598 20 0 BHADRN C/C=C(/C=C\C(=O)O[C@@H](C)c1cccnc1)CC ZINC000767662282 585524196 /nfs/dbraw/zinc/52/41/96/585524196.db2.gz JBDGNOYUQHXACW-YBLDPQOKSA-N 0 0 245.322 3.598 20 0 BHADRN CC[C@H](C)OC(=O)Cc1c(C)oc2ccccc21 ZINC000767726664 585525386 /nfs/dbraw/zinc/52/53/86/585525386.db2.gz LGKKYDUPOAWVJL-JTQLQIEISA-N 0 0 246.306 3.625 20 0 BHADRN CC[C@@H](C)OC(=O)Cc1c(C)oc2ccccc21 ZINC000767726666 585525537 /nfs/dbraw/zinc/52/55/37/585525537.db2.gz LGKKYDUPOAWVJL-SNVBAGLBSA-N 0 0 246.306 3.625 20 0 BHADRN Cc1c(NCc2ccoc2)cnn1C1CCCC1 ZINC000767728465 585525491 /nfs/dbraw/zinc/52/54/91/585525491.db2.gz PNWWUDHPFRNGRC-UHFFFAOYSA-N 0 0 245.326 3.512 20 0 BHADRN CCCCOC(=O)Cc1c(C)oc2ccccc21 ZINC000767728515 585525562 /nfs/dbraw/zinc/52/55/62/585525562.db2.gz JTMXHIGKECJMNU-UHFFFAOYSA-N 0 0 246.306 3.627 20 0 BHADRN COCc1ccc(NCc2cc(C)oc2C)cc1 ZINC000767734979 585525531 /nfs/dbraw/zinc/52/55/31/585525531.db2.gz JEVJSEJCPOMQOG-UHFFFAOYSA-N 0 0 245.322 3.655 20 0 BHADRN COc1cc(C)c(NCc2ccc(C)o2)cc1C ZINC000767736366 585525505 /nfs/dbraw/zinc/52/55/05/585525505.db2.gz DRJBSEHGOKZIPJ-UHFFFAOYSA-N 0 0 245.322 3.826 20 0 BHADRN COc1cc(C)c(NCc2cccs2)cc1C ZINC000767737285 585525552 /nfs/dbraw/zinc/52/55/52/585525552.db2.gz GTXUIROXIVZULG-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN COc1cc(C)c(NCc2ccoc2)cc1C ZINC000767738468 585525512 /nfs/dbraw/zinc/52/55/12/585525512.db2.gz KYSHQUBBVOEFFW-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN COc1cc(C)c(NCc2occc2C)cc1C ZINC000767739397 585525550 /nfs/dbraw/zinc/52/55/50/585525550.db2.gz QCJIJYQEUHNXBI-UHFFFAOYSA-N 0 0 245.322 3.826 20 0 BHADRN COc1cc(C)c(NCc2ccsc2)cc1C ZINC000767740048 585525492 /nfs/dbraw/zinc/52/54/92/585525492.db2.gz QMJFQIFDSBMIPN-UHFFFAOYSA-N 0 0 247.363 3.986 20 0 BHADRN Cc1cc(C(=O)NC2CCCCCCC2)oc1C ZINC000767806066 585526242 /nfs/dbraw/zinc/52/62/42/585526242.db2.gz GGXFFTUGTLLNLI-UHFFFAOYSA-N 0 0 249.354 3.739 20 0 BHADRN CCCCC[C@@H]1CCCN1c1cccc(F)n1 ZINC000767815125 585526191 /nfs/dbraw/zinc/52/61/91/585526191.db2.gz RVUYRSWNBFUKNY-GFCCVEGCSA-N 0 0 236.334 3.770 20 0 BHADRN CCCCC[C@H]1CCCN1c1cccc(F)n1 ZINC000767815128 585526249 /nfs/dbraw/zinc/52/62/49/585526249.db2.gz RVUYRSWNBFUKNY-LBPRGKRZSA-N 0 0 236.334 3.770 20 0 BHADRN Cc1nc(C)c(C)c(Oc2ccc(F)c(C)c2)n1 ZINC000767815715 585526869 /nfs/dbraw/zinc/52/68/69/585526869.db2.gz WAOCUKXECGWSSB-UHFFFAOYSA-N 0 0 246.285 3.642 20 0 BHADRN CCCCCCSCc1ncc(Cl)n1C ZINC000767864866 585527014 /nfs/dbraw/zinc/52/70/14/585527014.db2.gz FQKHFIZWWYEPHQ-UHFFFAOYSA-N 0 0 246.807 3.887 20 0 BHADRN CCCCCCSC[C@@H]1CCCOC1 ZINC000767865798 585527030 /nfs/dbraw/zinc/52/70/30/585527030.db2.gz JFDWWOGISYOFRP-GFCCVEGCSA-N 0 0 216.390 3.727 20 0 BHADRN CCCCCCSC[C@H]1CCCOC1 ZINC000767865817 585526946 /nfs/dbraw/zinc/52/69/46/585526946.db2.gz JFDWWOGISYOFRP-LBPRGKRZSA-N 0 0 216.390 3.727 20 0 BHADRN CCCCCCSCc1nccc(C)n1 ZINC000767865951 585527053 /nfs/dbraw/zinc/52/70/53/585527053.db2.gz LKERAPZRORGBLJ-UHFFFAOYSA-N 0 0 224.373 3.599 20 0 BHADRN CCCCCCSCC1CCOCC1 ZINC000767866850 585527115 /nfs/dbraw/zinc/52/71/15/585527115.db2.gz NZOHXIRTDOIXCX-UHFFFAOYSA-N 0 0 216.390 3.727 20 0 BHADRN CCCCCCSCc1cc(C)n(C)n1 ZINC000767867700 585526984 /nfs/dbraw/zinc/52/69/84/585526984.db2.gz RVPPHXZFTFZFIR-UHFFFAOYSA-N 0 0 226.389 3.542 20 0 BHADRN CCCCCCSCCn1nc(C)cc1C ZINC000767867713 585527118 /nfs/dbraw/zinc/52/71/18/585527118.db2.gz SHUKXWHYTYFRHS-UHFFFAOYSA-N 0 0 240.416 3.813 20 0 BHADRN CCCCCCSCCOCC1CC1 ZINC000767869349 585527164 /nfs/dbraw/zinc/52/71/64/585527164.db2.gz ZLFLHZBTHBSCAV-UHFFFAOYSA-N 0 0 216.390 3.727 20 0 BHADRN CCCCCCSC[C@H]1CCCCO1 ZINC000767870232 585527389 /nfs/dbraw/zinc/52/73/89/585527389.db2.gz STBFMLXYRJXMDL-GFCCVEGCSA-N 0 0 216.390 3.869 20 0 BHADRN CCCCCCSC[C@@H]1CCCCO1 ZINC000767870236 585527331 /nfs/dbraw/zinc/52/73/31/585527331.db2.gz STBFMLXYRJXMDL-LBPRGKRZSA-N 0 0 216.390 3.869 20 0 BHADRN CCCCCCSCc1nc(CCC)no1 ZINC000767871608 585527224 /nfs/dbraw/zinc/52/72/24/585527224.db2.gz OYLMIHPHFCDBFJ-UHFFFAOYSA-N 0 0 242.388 3.836 20 0 BHADRN CCCCCCSCc1noc(CCC)n1 ZINC000767871928 585527377 /nfs/dbraw/zinc/52/73/77/585527377.db2.gz PKMKPXZUCZLJEB-UHFFFAOYSA-N 0 0 242.388 3.836 20 0 BHADRN CCCCCCSCCOCC(F)(F)F ZINC000767874791 585527197 /nfs/dbraw/zinc/52/71/97/585527197.db2.gz MGCUYYCJSGZARY-UHFFFAOYSA-N 0 0 244.322 3.879 20 0 BHADRN CCCCCCS[C@H](C)C(=O)NCCCC ZINC000767874845 643334669 /nfs/dbraw/zinc/33/46/69/643334669.db2.gz DUKRYVHDIWQBJJ-GFCCVEGCSA-N 0 0 245.432 3.605 20 0 BHADRN CCCCCCS[C@@H](C)C(=O)NCCCC ZINC000767874846 643334274 /nfs/dbraw/zinc/33/42/74/643334274.db2.gz DUKRYVHDIWQBJJ-LBPRGKRZSA-N 0 0 245.432 3.605 20 0 BHADRN CCCCCCS[C@H](C)C(=O)N(CC)CC ZINC000767875400 585527287 /nfs/dbraw/zinc/52/72/87/585527287.db2.gz IPEKPYDQNTVDGT-GFCCVEGCSA-N 0 0 245.432 3.557 20 0 BHADRN CCCCCCS[C@@H](C)C(=O)N(CC)CC ZINC000767875402 585527239 /nfs/dbraw/zinc/52/72/39/585527239.db2.gz IPEKPYDQNTVDGT-LBPRGKRZSA-N 0 0 245.432 3.557 20 0 BHADRN CCCCCCSCc1nnc(C)s1 ZINC000767876049 585527231 /nfs/dbraw/zinc/52/72/31/585527231.db2.gz RETYNSWHBNOJMQ-UHFFFAOYSA-N 0 0 230.402 3.660 20 0 BHADRN CCCCCCSCc1ccccn1 ZINC000767876226 585527171 /nfs/dbraw/zinc/52/71/71/585527171.db2.gz SYNFHLPAWNKTBZ-UHFFFAOYSA-N 0 0 209.358 3.895 20 0 BHADRN CCCCCCSCc1cc(OC)ccn1 ZINC000767877386 585527193 /nfs/dbraw/zinc/52/71/93/585527193.db2.gz WNBTZUFLUNJIPL-UHFFFAOYSA-N 0 0 239.384 3.904 20 0 BHADRN CCCCCCSCC(=O)NC(C)(C)CC ZINC000767877805 585527286 /nfs/dbraw/zinc/52/72/86/585527286.db2.gz ZBKVKHQEFTYCOQ-UHFFFAOYSA-N 0 0 245.432 3.605 20 0 BHADRN CCN(C/C=C\Cl)c1ccc(F)c(F)c1 ZINC000767890102 585527471 /nfs/dbraw/zinc/52/74/71/585527471.db2.gz LFBBBYXBVOAHMB-UTCJRWHESA-N 0 0 231.673 3.544 20 0 BHADRN CCN(C/C=C/Cl)c1ccc(F)c(F)c1 ZINC000767890116 585527459 /nfs/dbraw/zinc/52/74/59/585527459.db2.gz LFBBBYXBVOAHMB-ZZXKWVIFSA-N 0 0 231.673 3.544 20 0 BHADRN CC(C)N(C/C=C/Cl)c1ccccc1 ZINC000767892915 585527610 /nfs/dbraw/zinc/52/76/10/585527610.db2.gz YVIUKJTYMLMEBA-RMKNXTFCSA-N 0 0 209.720 3.654 20 0 BHADRN CC(C)N(C/C=C\Cl)c1ccccc1 ZINC000767892931 585527668 /nfs/dbraw/zinc/52/76/68/585527668.db2.gz YVIUKJTYMLMEBA-TWGQIWQCSA-N 0 0 209.720 3.654 20 0 BHADRN Cl/C=C/CN(CC1CC1)c1ccccc1 ZINC000767902764 585528072 /nfs/dbraw/zinc/52/80/72/585528072.db2.gz VADCGVKAMNFOTI-RUDMXATFSA-N 0 0 221.731 3.656 20 0 BHADRN Cl/C=C\CN(CC1CC1)c1ccccc1 ZINC000767902765 585528307 /nfs/dbraw/zinc/52/83/07/585528307.db2.gz VADCGVKAMNFOTI-WTKPLQERSA-N 0 0 221.731 3.656 20 0 BHADRN CN(Cc1cc2ccccc2o1)c1nccs1 ZINC000767903204 585527982 /nfs/dbraw/zinc/52/79/82/585527982.db2.gz ZYVQEWCLIJHYKY-UHFFFAOYSA-N 0 0 244.319 3.526 20 0 BHADRN CCCCCCN(CC(F)F)C(C)C ZINC000767906411 585528017 /nfs/dbraw/zinc/52/80/17/585528017.db2.gz MRDACXNOVWDYNF-UHFFFAOYSA-N 0 0 207.308 3.542 20 0 BHADRN c1c(CSC2=NCCS2)oc2ccccc12 ZINC000767912071 585528025 /nfs/dbraw/zinc/52/80/25/585528025.db2.gz MJWIEXDVMMCEMB-UHFFFAOYSA-N 0 0 249.360 3.769 20 0 BHADRN Cc1ccc(CCOc2cccnc2Cl)cc1 ZINC000767933928 585528616 /nfs/dbraw/zinc/52/86/16/585528616.db2.gz RESMIBQQAXHSKG-UHFFFAOYSA-N 0 0 247.725 3.665 20 0 BHADRN Cc1cc(Cl)ncc1OCCc1ccccc1 ZINC000767934010 585528623 /nfs/dbraw/zinc/52/86/23/585528623.db2.gz RPZZBYKWGKYCPY-UHFFFAOYSA-N 0 0 247.725 3.665 20 0 BHADRN Cc1ccc(CCOc2ccc(Cl)nc2)cc1 ZINC000767934308 585528352 /nfs/dbraw/zinc/52/83/52/585528352.db2.gz SISQBRCYFZSGLH-UHFFFAOYSA-N 0 0 247.725 3.665 20 0 BHADRN O=C(OC1CCC1)c1cccc2ccsc21 ZINC000767989570 585529173 /nfs/dbraw/zinc/52/91/73/585529173.db2.gz DCEDDXUSHUMWMW-UHFFFAOYSA-N 0 0 232.304 3.611 20 0 BHADRN CCC(C)(CC)C(=O)OCCSC(C)(C)C ZINC000767992636 585529191 /nfs/dbraw/zinc/52/91/91/585529191.db2.gz YZRARZGAVSDSMB-UHFFFAOYSA-N 0 0 246.416 3.888 20 0 BHADRN CCC(C)(CC)C(=O)O[C@@H](C)c1ccco1 ZINC000768001114 585529462 /nfs/dbraw/zinc/52/94/62/585529462.db2.gz YLJLVCVFNJOHGR-JTQLQIEISA-N 0 0 224.300 3.710 20 0 BHADRN CCC(C)(CC)C(=O)O[C@H](C)c1ccco1 ZINC000768001120 585529470 /nfs/dbraw/zinc/52/94/70/585529470.db2.gz YLJLVCVFNJOHGR-SNVBAGLBSA-N 0 0 224.300 3.710 20 0 BHADRN CCC(C)(CC)C(=O)OCCCC(F)(F)F ZINC000768001177 585529397 /nfs/dbraw/zinc/52/93/97/585529397.db2.gz ZAVRYRXDNIITQU-UHFFFAOYSA-N 0 0 240.265 3.698 20 0 BHADRN Cc1oc2ccccc2c1C(=O)O[C@@H]1C=CCC1 ZINC000768010869 585529379 /nfs/dbraw/zinc/52/93/79/585529379.db2.gz OLYGJTZTZDUKHR-LLVKDONJSA-N 0 0 242.274 3.617 20 0 BHADRN Cc1oc2ccccc2c1C(=O)O[C@H]1C=CCC1 ZINC000768010870 585529428 /nfs/dbraw/zinc/52/94/28/585529428.db2.gz OLYGJTZTZDUKHR-NSHDSACASA-N 0 0 242.274 3.617 20 0 BHADRN O=C(O[C@@H]1C=CCC1)c1cccc2ccsc21 ZINC000768010934 585529394 /nfs/dbraw/zinc/52/93/94/585529394.db2.gz RBQRIVHHPFGMGG-LLVKDONJSA-N 0 0 244.315 3.777 20 0 BHADRN O=C(O[C@H]1C=CCC1)c1cccc2ccsc21 ZINC000768010935 585529466 /nfs/dbraw/zinc/52/94/66/585529466.db2.gz RBQRIVHHPFGMGG-NSHDSACASA-N 0 0 244.315 3.777 20 0 BHADRN CCC(C)(CC)C(=O)O[C@H](C)c1cnccc1C ZINC000768012765 585529512 /nfs/dbraw/zinc/52/95/12/585529512.db2.gz XIJWFBTUQLUUCZ-GFCCVEGCSA-N 0 0 249.354 3.821 20 0 BHADRN CCC(C)(CC)C(=O)O[C@@H](C)c1cnccc1C ZINC000768012766 585529564 /nfs/dbraw/zinc/52/95/64/585529564.db2.gz XIJWFBTUQLUUCZ-LBPRGKRZSA-N 0 0 249.354 3.821 20 0 BHADRN CCC(C)(CC)C(=O)OCCCCCSC ZINC000768024063 585529599 /nfs/dbraw/zinc/52/95/99/585529599.db2.gz BDAHETSQIPKDKM-UHFFFAOYSA-N 0 0 246.416 3.889 20 0 BHADRN C[C@@H](C(=O)OCCCCc1ccccc1)C1CC1 ZINC000768035390 585529721 /nfs/dbraw/zinc/52/97/21/585529721.db2.gz VZTQQHVVLAAYTA-CYBMUJFWSA-N 0 0 246.350 3.599 20 0 BHADRN C[C@H](C(=O)OCCCCc1ccccc1)C1CC1 ZINC000768035391 585529822 /nfs/dbraw/zinc/52/98/22/585529822.db2.gz VZTQQHVVLAAYTA-ZDUSSCGKSA-N 0 0 246.350 3.599 20 0 BHADRN O=C(OCCCCc1ccccc1)C1CC=CC1 ZINC000768040852 585529890 /nfs/dbraw/zinc/52/98/90/585529890.db2.gz HLOYATSAUXDBHB-UHFFFAOYSA-N 0 0 244.334 3.519 20 0 BHADRN C/C=C(/C=C\C(=O)N(CC1CCC1)C(C)C)CC ZINC000768073541 585531466 /nfs/dbraw/zinc/53/14/66/585531466.db2.gz WIUMXKQIRYMTHW-VKVAAMHVSA-N 0 0 249.398 3.936 20 0 BHADRN C/C=C(/C=C/C(=O)N(CC1CCC1)C(C)C)CC ZINC000768073555 585531356 /nfs/dbraw/zinc/53/13/56/585531356.db2.gz WIUMXKQIRYMTHW-XKRUKBQYSA-N 0 0 249.398 3.936 20 0 BHADRN CC1CCC(=CC(=O)N2CCCC23CCC3)CC1 ZINC000768104508 585531922 /nfs/dbraw/zinc/53/19/22/585531922.db2.gz HDNIHYZTRFIXNK-UHFFFAOYSA-N 0 0 247.382 3.668 20 0 BHADRN Cc1cc(C(=O)N2CCCC23CCC3)c(C)s1 ZINC000768105886 585532013 /nfs/dbraw/zinc/53/20/13/585532013.db2.gz OUNLZODPHVFSFK-UHFFFAOYSA-N 0 0 249.379 3.524 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCCC12CCC2 ZINC000768106135 585531954 /nfs/dbraw/zinc/53/19/54/585531954.db2.gz BGSCTMATILMJEJ-QXMHVHEDSA-N 0 0 235.371 3.524 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCCC12CCC2 ZINC000768106136 585531983 /nfs/dbraw/zinc/53/19/83/585531983.db2.gz BGSCTMATILMJEJ-VAWYXSNFSA-N 0 0 235.371 3.524 20 0 BHADRN C/C(=C/C(=O)N1CCCC12CCC2)C(C)(C)C ZINC000768109104 585532097 /nfs/dbraw/zinc/53/20/97/585532097.db2.gz VGKWLPIZUVNMNI-QXMHVHEDSA-N 0 0 235.371 3.524 20 0 BHADRN C/C(=C\C(=O)N1CCCC12CCC2)C(C)(C)C ZINC000768109106 585532027 /nfs/dbraw/zinc/53/20/27/585532027.db2.gz VGKWLPIZUVNMNI-VAWYXSNFSA-N 0 0 235.371 3.524 20 0 BHADRN Cc1cc(C(=O)O[C@H](C)c2ccccc2)oc1C ZINC000768127667 585532440 /nfs/dbraw/zinc/53/24/40/585532440.db2.gz UVLANRVOYINORS-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cc(C(=O)O[C@@H](C)c2ccccc2)oc1C ZINC000768127669 585532505 /nfs/dbraw/zinc/53/25/05/585532505.db2.gz UVLANRVOYINORS-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN CC[N@H+](Cc1coc(C2CC2)n1)C1CCCCC1 ZINC000768138908 585532685 /nfs/dbraw/zinc/53/26/85/585532685.db2.gz WPCFCKUHSHCOHN-UHFFFAOYSA-N 0 0 248.370 3.707 20 0 BHADRN CC[N@H+](Cc1cc(C)oc1C)Cc1ccccc1 ZINC000768140075 585532900 /nfs/dbraw/zinc/53/29/00/585532900.db2.gz ARTUWXODXPRWLE-UHFFFAOYSA-N 0 0 243.350 3.919 20 0 BHADRN CCc1cc(C)c(C(=O)Oc2ccccc2F)o1 ZINC000768165649 585533015 /nfs/dbraw/zinc/53/30/15/585533015.db2.gz JLFFXSWYQNKJFW-UHFFFAOYSA-N 0 0 248.253 3.509 20 0 BHADRN O=C(OC1CCCC1)c1ccc(F)c(Cl)c1 ZINC000768170291 585533151 /nfs/dbraw/zinc/53/31/51/585533151.db2.gz KNWBUWVTACHYCJ-UHFFFAOYSA-N 0 0 242.677 3.579 20 0 BHADRN Cc1cc(CN(C)Cc2ccccc2F)c(C)o1 ZINC000768172166 585533531 /nfs/dbraw/zinc/53/35/31/585533531.db2.gz NEVJNLRNKDNTOR-UHFFFAOYSA-N 0 0 247.313 3.668 20 0 BHADRN CCC(=O)O[C@H](CC)c1ccc(Cl)cc1F ZINC000768183683 585533491 /nfs/dbraw/zinc/53/34/91/585533491.db2.gz BFGOTAXMRNKLBV-LLVKDONJSA-N 0 0 244.693 3.883 20 0 BHADRN CCC(=O)O[C@@H](CC)c1ccc(Cl)cc1F ZINC000768183685 585533606 /nfs/dbraw/zinc/53/36/06/585533606.db2.gz BFGOTAXMRNKLBV-NSHDSACASA-N 0 0 244.693 3.883 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)C1CCCC1 ZINC000768184555 585533608 /nfs/dbraw/zinc/53/36/08/585533608.db2.gz GZDWEDUWDZMBDR-GFCCVEGCSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)C1CCCC1 ZINC000768184556 585533476 /nfs/dbraw/zinc/53/34/76/585533476.db2.gz GZDWEDUWDZMBDR-LBPRGKRZSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)CCC1CC1 ZINC000768185906 585533577 /nfs/dbraw/zinc/53/35/77/585533577.db2.gz KNBSNQGCXULHTF-GFCCVEGCSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@H](C)C(C)C ZINC000768186391 585533461 /nfs/dbraw/zinc/53/34/61/585533461.db2.gz DVXGLKCHIDSJGD-CHWSQXEVSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@@H](C)C(C)C ZINC000768186392 585533509 /nfs/dbraw/zinc/53/35/09/585533509.db2.gz DVXGLKCHIDSJGD-QWHCGFSZSA-N 0 0 234.339 3.891 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)c1ccco1 ZINC000768186403 585533567 /nfs/dbraw/zinc/53/35/67/585533567.db2.gz FEXYMFRSRULQQF-LLVKDONJSA-N 0 0 230.263 3.506 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)c1ccco1 ZINC000768186404 585533559 /nfs/dbraw/zinc/53/35/59/585533559.db2.gz FEXYMFRSRULQQF-NSHDSACASA-N 0 0 230.263 3.506 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)C1(C)CCC1 ZINC000768186879 585533588 /nfs/dbraw/zinc/53/35/88/585533588.db2.gz MWPPGIYDDXKSJO-GFCCVEGCSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1ccoc1C(=O)O[C@H](C)c1ccccc1C ZINC000768186946 585533613 /nfs/dbraw/zinc/53/36/13/585533613.db2.gz NNDLWBMPXZYPES-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1ccoc1C(=O)O[C@@H](C)c1ccccc1C ZINC000768186949 585533488 /nfs/dbraw/zinc/53/34/88/585533488.db2.gz NNDLWBMPXZYPES-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)/C=C/C1CC1 ZINC000768187230 585533628 /nfs/dbraw/zinc/53/36/28/585533628.db2.gz GFZIAGBUWFJEIT-BZYZDCJZSA-N 0 0 230.307 3.565 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)/C=C\C1CC1 ZINC000768187231 585533581 /nfs/dbraw/zinc/53/35/81/585533581.db2.gz GFZIAGBUWFJEIT-ZWLSGLHFSA-N 0 0 230.307 3.565 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)c1ccsc1 ZINC000768188030 585533360 /nfs/dbraw/zinc/53/33/60/585533360.db2.gz KAUUYQNPUZSJHN-LLVKDONJSA-N 0 0 246.331 3.975 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)c1ccsc1 ZINC000768188031 585533582 /nfs/dbraw/zinc/53/35/82/585533582.db2.gz KAUUYQNPUZSJHN-NSHDSACASA-N 0 0 246.331 3.975 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)CC(C)C ZINC000768188041 584948659 /nfs/dbraw/zinc/94/86/59/584948659.db2.gz KJBOYEIUFJTROS-GFCCVEGCSA-N 0 0 220.312 3.645 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)CC(C)C ZINC000768188042 584948626 /nfs/dbraw/zinc/94/86/26/584948626.db2.gz KJBOYEIUFJTROS-LBPRGKRZSA-N 0 0 220.312 3.645 20 0 BHADRN CCC1(C(=O)O[C@H](C)c2ccccc2C)CC1 ZINC000768188103 585533429 /nfs/dbraw/zinc/53/34/29/585533429.db2.gz LGPOMCNNDZKCKQ-GFCCVEGCSA-N 0 0 232.323 3.789 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)c1cccs1 ZINC000768188381 585533481 /nfs/dbraw/zinc/53/34/81/585533481.db2.gz SYGZWGBYNUJCMJ-LLVKDONJSA-N 0 0 246.331 3.975 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)c1cccs1 ZINC000768188382 585533528 /nfs/dbraw/zinc/53/35/28/585533528.db2.gz SYGZWGBYNUJCMJ-NSHDSACASA-N 0 0 246.331 3.975 20 0 BHADRN Cc1c[nH]cc1C(=O)O[C@H](C)c1ccccc1C ZINC000768188795 585533504 /nfs/dbraw/zinc/53/35/04/585533504.db2.gz LYROAIYRQFASCR-GFCCVEGCSA-N 0 0 243.306 3.550 20 0 BHADRN Cc1c[nH]cc1C(=O)O[C@@H](C)c1ccccc1C ZINC000768188797 585533419 /nfs/dbraw/zinc/53/34/19/585533419.db2.gz LYROAIYRQFASCR-LBPRGKRZSA-N 0 0 243.306 3.550 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)C=C1CCC1 ZINC000768189061 585533507 /nfs/dbraw/zinc/53/35/07/585533507.db2.gz VGNANTBXNXVQJY-GFCCVEGCSA-N 0 0 230.307 3.710 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)C1=CCCC1 ZINC000768189239 585533516 /nfs/dbraw/zinc/53/35/16/585533516.db2.gz XVYGHJAFUJPIOJ-GFCCVEGCSA-N 0 0 230.307 3.710 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@@H](C)C1CC1 ZINC000768189324 585533548 /nfs/dbraw/zinc/53/35/48/585533548.db2.gz ZAZZFTUKXNOIHV-NWDGAFQWSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@H](C)C1CC1 ZINC000768189325 585533599 /nfs/dbraw/zinc/53/35/99/585533599.db2.gz ZAZZFTUKXNOIHV-VXGBXAGGSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1ccc(C(=O)O[C@H](C)c2ccccc2C)o1 ZINC000768189544 585533556 /nfs/dbraw/zinc/53/35/56/585533556.db2.gz ASXGHRUYIQCLGD-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1ccc(C(=O)O[C@@H](C)c2ccccc2C)o1 ZINC000768189546 585533501 /nfs/dbraw/zinc/53/35/01/585533501.db2.gz ASXGHRUYIQCLGD-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@H]1CC=CCC1 ZINC000768189603 585533396 /nfs/dbraw/zinc/53/33/96/585533396.db2.gz OUSRNKICYDFMGZ-KBPBESRZSA-N 0 0 244.334 3.956 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@H]1CC=CCC1 ZINC000768189604 584948672 /nfs/dbraw/zinc/94/86/72/584948672.db2.gz OUSRNKICYDFMGZ-KGLIPLIRSA-N 0 0 244.334 3.956 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@@H]1CC=CCC1 ZINC000768189608 584948661 /nfs/dbraw/zinc/94/86/61/584948661.db2.gz OUSRNKICYDFMGZ-UONOGXRCSA-N 0 0 244.334 3.956 20 0 BHADRN Cc1occc1C(=O)O[C@H](C)c1ccccc1C ZINC000768189609 585533569 /nfs/dbraw/zinc/53/35/69/585533569.db2.gz BCSFAQFZULPXAJ-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1occc1C(=O)O[C@@H](C)c1ccccc1C ZINC000768189610 585533498 /nfs/dbraw/zinc/53/34/98/585533498.db2.gz BCSFAQFZULPXAJ-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@@H]1CC=CCC1 ZINC000768189612 584948653 /nfs/dbraw/zinc/94/86/53/584948653.db2.gz OUSRNKICYDFMGZ-ZIAGYGMSSA-N 0 0 244.334 3.956 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)C(C)(C)C ZINC000768189630 585533518 /nfs/dbraw/zinc/53/35/18/585533518.db2.gz PDNRMUNHOITLIT-LLVKDONJSA-N 0 0 220.312 3.645 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)C(C)(C)C ZINC000768189633 585533511 /nfs/dbraw/zinc/53/35/11/585533511.db2.gz PDNRMUNHOITLIT-NSHDSACASA-N 0 0 220.312 3.645 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@@H]1CC12CCC2 ZINC000768189896 585533871 /nfs/dbraw/zinc/53/38/71/585533871.db2.gz FRXKEYUTSHDWJF-OCCSQVGLSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@H]1CC12CCC2 ZINC000768189897 585533817 /nfs/dbraw/zinc/53/38/17/585533817.db2.gz FRXKEYUTSHDWJF-TZMCWYRMSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)C1CC=CC1 ZINC000768190442 585533872 /nfs/dbraw/zinc/53/38/72/585533872.db2.gz JLVMPJNCPXLAQB-GFCCVEGCSA-N 0 0 230.307 3.565 20 0 BHADRN CC(C)=CC(=O)O[C@H](C)c1ccccc1C ZINC000768191419 585533831 /nfs/dbraw/zinc/53/38/31/585533831.db2.gz YPGFSLBOWAQEGS-GFCCVEGCSA-N 0 0 218.296 3.565 20 0 BHADRN CC(C)=CC(=O)O[C@@H](C)c1ccccc1C ZINC000768191422 585533726 /nfs/dbraw/zinc/53/37/26/585533726.db2.gz YPGFSLBOWAQEGS-LBPRGKRZSA-N 0 0 218.296 3.565 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)c1ccoc1 ZINC000768191734 585533844 /nfs/dbraw/zinc/53/38/44/585533844.db2.gz NHUYBEHCNBVXSZ-LLVKDONJSA-N 0 0 230.263 3.506 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)c1ccoc1 ZINC000768191735 585533921 /nfs/dbraw/zinc/53/39/21/585533921.db2.gz NHUYBEHCNBVXSZ-NSHDSACASA-N 0 0 230.263 3.506 20 0 BHADRN C/C=C/C=C\C(=O)O[C@@H](C)c1ccccc1C ZINC000768191825 585533816 /nfs/dbraw/zinc/53/38/16/585533816.db2.gz OPDBRNGJYGZFGU-GMMWJDBCSA-N 0 0 230.307 3.732 20 0 BHADRN C/C=C/C=C/C(=O)O[C@H](C)c1ccccc1C ZINC000768191826 585533714 /nfs/dbraw/zinc/53/37/14/585533714.db2.gz OPDBRNGJYGZFGU-HILSGWSQSA-N 0 0 230.307 3.732 20 0 BHADRN C/C=C/C=C\C(=O)O[C@H](C)c1ccccc1C ZINC000768191827 585533684 /nfs/dbraw/zinc/53/36/84/585533684.db2.gz OPDBRNGJYGZFGU-IDCBTYKWSA-N 0 0 230.307 3.732 20 0 BHADRN C/C=C/C=C/C(=O)O[C@@H](C)c1ccccc1C ZINC000768191828 585533780 /nfs/dbraw/zinc/53/37/80/585533780.db2.gz OPDBRNGJYGZFGU-WNVSFUKWSA-N 0 0 230.307 3.732 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)CC1CCC1 ZINC000768192687 585533808 /nfs/dbraw/zinc/53/38/08/585533808.db2.gz RPDPXEOFIDTOSP-GFCCVEGCSA-N 0 0 232.323 3.789 20 0 BHADRN CC[C@H](C)C(=O)O[C@H](C)c1ccccc1C ZINC000768194194 585533685 /nfs/dbraw/zinc/53/36/85/585533685.db2.gz ZEPBYLMXNDIAOG-CMPLNLGQSA-N 0 0 220.312 3.645 20 0 BHADRN CC[C@H](C)C(=O)O[C@@H](C)c1ccccc1C ZINC000768194197 585533697 /nfs/dbraw/zinc/53/36/97/585533697.db2.gz ZEPBYLMXNDIAOG-JQWIXIFHSA-N 0 0 220.312 3.645 20 0 BHADRN CC[C@@H](C)C(=O)O[C@@H](C)c1ccccc1C ZINC000768194200 585533851 /nfs/dbraw/zinc/53/38/51/585533851.db2.gz ZEPBYLMXNDIAOG-PWSUYJOCSA-N 0 0 220.312 3.645 20 0 BHADRN CC[C@@H](C)C(=O)O[C@H](C)c1ccccc1C ZINC000768194203 585533653 /nfs/dbraw/zinc/53/36/53/585533653.db2.gz ZEPBYLMXNDIAOG-ZYHUDNBSSA-N 0 0 220.312 3.645 20 0 BHADRN Fc1ccccc1CN(Cc1ccoc1)C1CC1 ZINC000768204404 585533674 /nfs/dbraw/zinc/53/36/74/585533674.db2.gz XLZRPFIQXHFRRF-UHFFFAOYSA-N 0 0 245.297 3.583 20 0 BHADRN Cc1cc(OC(=O)CC2CCCC2)ccc1F ZINC000768225772 585534237 /nfs/dbraw/zinc/53/42/37/585534237.db2.gz BBSAWXJLUJHUAW-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cc(OC(=O)CCC2CCC2)ccc1F ZINC000768226022 585534156 /nfs/dbraw/zinc/53/41/56/585534156.db2.gz BBZGGROHHODOOO-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN CCC1(C(=O)Oc2ccc(F)c(C)c2)CCC1 ZINC000768227169 585534242 /nfs/dbraw/zinc/53/42/42/585534242.db2.gz DFXXMJLQWLNJRS-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cc(OC(=O)C2(C)CCCC2)ccc1F ZINC000768227316 585534063 /nfs/dbraw/zinc/53/40/63/585534063.db2.gz FPNRGGOBOHMKPX-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cc(OC(=O)C=C2CCCC2)ccc1F ZINC000768228084 585534102 /nfs/dbraw/zinc/53/41/02/585534102.db2.gz QKDDNUULHBRUJY-UHFFFAOYSA-N 0 0 234.270 3.540 20 0 BHADRN Cc1cc(OC(=O)[C@H](C)C(C)(C)C)ccc1F ZINC000768228285 585534092 /nfs/dbraw/zinc/53/40/92/585534092.db2.gz RUHXPNCYTHFEHJ-JTQLQIEISA-N 0 0 238.302 3.722 20 0 BHADRN Cc1cc(OC(=O)[C@@H](C)C(C)(C)C)ccc1F ZINC000768228289 585533948 /nfs/dbraw/zinc/53/39/48/585533948.db2.gz RUHXPNCYTHFEHJ-SNVBAGLBSA-N 0 0 238.302 3.722 20 0 BHADRN CCCC1(C(=O)Oc2ccc(F)c(C)c2)CC1 ZINC000768228539 585534314 /nfs/dbraw/zinc/53/43/14/585534314.db2.gz VDLYWAXYSYSPGR-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cc(OC(=O)C2CCCCC2)ccc1F ZINC000768229186 585534300 /nfs/dbraw/zinc/53/43/00/585534300.db2.gz KCLFFELHHQJWBQ-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cc(OC(=O)[C@H]2CC23CCCC3)ccc1F ZINC000768231784 585534389 /nfs/dbraw/zinc/53/43/89/585534389.db2.gz ZFMIAEOFCSFLCT-GFCCVEGCSA-N 0 0 248.297 3.620 20 0 BHADRN Cc1cc(OC(=O)[C@@H]2CC23CCCC3)ccc1F ZINC000768231789 585534413 /nfs/dbraw/zinc/53/44/13/585534413.db2.gz ZFMIAEOFCSFLCT-LBPRGKRZSA-N 0 0 248.297 3.620 20 0 BHADRN Cc1cc(CN2CCc3sccc3C2)c(C)o1 ZINC000768235021 585534471 /nfs/dbraw/zinc/53/44/71/585534471.db2.gz VSWRICSTJMZBTH-UHFFFAOYSA-N 0 0 247.363 3.516 20 0 BHADRN CCCCCC(=O)Oc1ccc(F)c(C)c1 ZINC000768235814 585533500 /nfs/dbraw/zinc/53/35/00/585533500.db2.gz YMZWNCOXYBURIQ-UHFFFAOYSA-N 0 0 224.275 3.620 20 0 BHADRN Cc1cc(C[N@@H+](Cc2ccco2)C(C)C)c(C)o1 ZINC000768249165 585534946 /nfs/dbraw/zinc/53/49/46/585534946.db2.gz AIPAWNRUJHGAIS-UHFFFAOYSA-N 0 0 247.338 3.900 20 0 BHADRN CC1CC(Nc2ccc(OCC(F)F)cc2)C1 ZINC000768249400 585534785 /nfs/dbraw/zinc/53/47/85/585534785.db2.gz QMUGJOMOUQLCIK-UHFFFAOYSA-N 0 0 241.281 3.541 20 0 BHADRN CC1CC(Nc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000768251095 585534816 /nfs/dbraw/zinc/53/48/16/585534816.db2.gz DDJMDFXGJILKGD-UHFFFAOYSA-N 0 0 231.339 3.611 20 0 BHADRN Cc1cccc(C[N@H+](Cc2ccoc2)C2CC2)c1 ZINC000768252014 585534649 /nfs/dbraw/zinc/53/46/49/585534649.db2.gz GDYRJKONWHEQBM-UHFFFAOYSA-N 0 0 241.334 3.753 20 0 BHADRN Cc1ccc(C[N@H+](Cc2ccoc2)C2CC2)cc1 ZINC000768252017 585534981 /nfs/dbraw/zinc/53/49/81/585534981.db2.gz GNQHTRSYWKJTPY-UHFFFAOYSA-N 0 0 241.334 3.753 20 0 BHADRN Cc1ccccc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000768252452 585534763 /nfs/dbraw/zinc/53/47/63/585534763.db2.gz LVLFTAYMJSMGTA-UHFFFAOYSA-N 0 0 241.334 3.753 20 0 BHADRN c1csc(C[N@H+](Cc2ccoc2)C2CC2)c1 ZINC000768252772 585534609 /nfs/dbraw/zinc/53/46/09/585534609.db2.gz PCJRRVFZNQZWBV-UHFFFAOYSA-N 0 0 233.336 3.506 20 0 BHADRN Cc1ccc([C@@H](C)[N@H+](C)Cc2ccoc2)cc1 ZINC000768261457 585534612 /nfs/dbraw/zinc/53/46/12/585534612.db2.gz CYWYTLKOJZQUEY-CYBMUJFWSA-N 0 0 229.323 3.781 20 0 BHADRN Cc1ccc([C@H](C)[N@H+](C)Cc2ccoc2)cc1 ZINC000768261459 585534677 /nfs/dbraw/zinc/53/46/77/585534677.db2.gz CYWYTLKOJZQUEY-ZDUSSCGKSA-N 0 0 229.323 3.781 20 0 BHADRN CC(C)CC[N@H+](C)Cc1cnc(C(C)C)s1 ZINC000768262221 585534895 /nfs/dbraw/zinc/53/48/95/585534895.db2.gz IBALMDLFUJGOGK-UHFFFAOYSA-N 0 0 240.416 3.744 20 0 BHADRN CCC1CCC([N@H+](C)Cc2ccoc2)CC1 ZINC000768262354 585534725 /nfs/dbraw/zinc/53/47/25/585534725.db2.gz JDARTGHFVNFDMT-UHFFFAOYSA-N 0 0 221.344 3.680 20 0 BHADRN Cc1cc(C[N@@H+](C)Cc2cccc(C)c2)c(C)o1 ZINC000768263512 585534819 /nfs/dbraw/zinc/53/48/19/585534819.db2.gz SYBRWUAVHDQIKW-UHFFFAOYSA-N 0 0 243.350 3.837 20 0 BHADRN C[C@@H]1CCC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000768263814 585534901 /nfs/dbraw/zinc/53/49/01/585534901.db2.gz WHSLVWJJJGQHRJ-BXUZGUMPSA-N 0 0 248.370 3.563 20 0 BHADRN C[C@H]1CCC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000768263815 585534729 /nfs/dbraw/zinc/53/47/29/585534729.db2.gz WHSLVWJJJGQHRJ-FZMZJTMJSA-N 0 0 248.370 3.563 20 0 BHADRN C[C@@H]1CCC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000768263816 585534860 /nfs/dbraw/zinc/53/48/60/585534860.db2.gz WHSLVWJJJGQHRJ-RISCZKNCSA-N 0 0 248.370 3.563 20 0 BHADRN C[C@H]1CCC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000768263817 585534776 /nfs/dbraw/zinc/53/47/76/585534776.db2.gz WHSLVWJJJGQHRJ-SMDDNHRTSA-N 0 0 248.370 3.563 20 0 BHADRN Cc1cc(C[N@@H+](C)CCC(C)C)cnc1Cl ZINC000768263830 585534606 /nfs/dbraw/zinc/53/46/06/585534606.db2.gz WUVJLZOLTIFCIL-UHFFFAOYSA-N 0 0 240.778 3.521 20 0 BHADRN CCOc1ccc(SCCCF)cc1 ZINC000768289016 585535212 /nfs/dbraw/zinc/53/52/12/585535212.db2.gz OJRRFTJZXPFHJQ-UHFFFAOYSA-N 0 0 214.305 3.537 20 0 BHADRN CCCCC1CCC(NC(=O)C(C)(C)F)CC1 ZINC000768337852 585536187 /nfs/dbraw/zinc/53/61/87/585536187.db2.gz HTDZPYBCFWEOEZ-UHFFFAOYSA-N 0 0 243.366 3.600 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)C=C(C)C ZINC000768342699 585536381 /nfs/dbraw/zinc/53/63/81/585536381.db2.gz AROOWYDXEFDEFN-CYBMUJFWSA-N 0 0 223.360 3.524 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)C=C(C)C ZINC000768342700 585536265 /nfs/dbraw/zinc/53/62/65/585536265.db2.gz AROOWYDXEFDEFN-ZDUSSCGKSA-N 0 0 223.360 3.524 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC000768343807 585536354 /nfs/dbraw/zinc/53/63/54/585536354.db2.gz HMYBKVMFRUZZMN-LHNRBYRGSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC000768343810 585536431 /nfs/dbraw/zinc/53/64/31/585536431.db2.gz HMYBKVMFRUZZMN-LLNWESEBSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC000768343811 585536391 /nfs/dbraw/zinc/53/63/91/585536391.db2.gz HMYBKVMFRUZZMN-RDRICISKSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC000768343813 584950007 /nfs/dbraw/zinc/95/00/07/584950007.db2.gz HMYBKVMFRUZZMN-WIDZWVOGSA-N 0 0 249.398 3.914 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@@H]1CCC(C)C)C1CC1 ZINC000768347571 585536615 /nfs/dbraw/zinc/53/66/15/585536615.db2.gz LLUPOGFMYUYMHE-BMOGTNHUSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@H]1CCC(C)C)C1CC1 ZINC000768347572 585536458 /nfs/dbraw/zinc/53/64/58/585536458.db2.gz LLUPOGFMYUYMHE-FQNOHDAGSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(=O)N1CCC[C@@H]1CCC(C)C)C1CC1 ZINC000768347574 585536467 /nfs/dbraw/zinc/53/64/67/585536467.db2.gz LLUPOGFMYUYMHE-HFBDAHEESA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(=O)N1CCC[C@H]1CCC(C)C)C1CC1 ZINC000768347576 585536649 /nfs/dbraw/zinc/53/66/49/585536649.db2.gz LLUPOGFMYUYMHE-HVCHUGMYSA-N 0 0 249.398 3.770 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC000768348146 585536602 /nfs/dbraw/zinc/53/66/02/585536602.db2.gz 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20 0 BHADRN Fc1cccc(Cl)c1OCc1cscn1 ZINC000768426357 585538599 /nfs/dbraw/zinc/53/85/99/585538599.db2.gz RKSKRNVAGWWSIJ-UHFFFAOYSA-N 0 0 243.690 3.515 20 0 BHADRN CCCN(Cc1ccoc1)Cc1ccccc1F ZINC000768486821 585539295 /nfs/dbraw/zinc/53/92/95/585539295.db2.gz QETYLXPFTCOLEI-UHFFFAOYSA-N 0 0 247.313 3.831 20 0 BHADRN CC(C)c1ccc(N(C)C[C@@H]2CCCOC2)cc1 ZINC000768529782 585539562 /nfs/dbraw/zinc/53/95/62/585539562.db2.gz DAIRBTFPBULXEW-AWEZNQCLSA-N 0 0 247.382 3.673 20 0 BHADRN CC(C)c1ccc(N(C)C[C@H]2CCCOC2)cc1 ZINC000768529783 585539539 /nfs/dbraw/zinc/53/95/39/585539539.db2.gz DAIRBTFPBULXEW-CQSZACIVSA-N 0 0 247.382 3.673 20 0 BHADRN CCc1ccc(N(CC)C[C@@H]2CCCOC2)cc1 ZINC000768542161 585540062 /nfs/dbraw/zinc/54/00/62/585540062.db2.gz ODGQEBAEZPXSHP-HNNXBMFYSA-N 0 0 247.382 3.502 20 0 BHADRN CCc1ccc(N(CC)C[C@H]2CCCOC2)cc1 ZINC000768542162 585539765 /nfs/dbraw/zinc/53/97/65/585539765.db2.gz ODGQEBAEZPXSHP-OAHLLOKOSA-N 0 0 247.382 3.502 20 0 BHADRN CCC/C=C/C(=O)NCCC1=CCCCCC1 ZINC000768550226 585540196 /nfs/dbraw/zinc/54/01/96/585540196.db2.gz CMQGKZWEKIVWTJ-IZZDOVSWSA-N 0 0 235.371 3.740 20 0 BHADRN CCC/C=C\C(=O)NCCC1=CCCCCC1 ZINC000768550227 585540487 /nfs/dbraw/zinc/54/04/87/585540487.db2.gz CMQGKZWEKIVWTJ-WDZFZDKYSA-N 0 0 235.371 3.740 20 0 BHADRN CC1(C)CCC(C(=O)NCCC2CCC2)CC1 ZINC000768571667 585540548 /nfs/dbraw/zinc/54/05/48/585540548.db2.gz PVIPMVSKUVMOLS-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCC/C=C/C(=O)N[C@H]1CCCc2sccc21 ZINC000768604525 585540841 /nfs/dbraw/zinc/54/08/41/585540841.db2.gz WUGXNWDFQRUPJN-GXWOQWCDSA-N 0 0 249.379 3.598 20 0 BHADRN CCC/C=C\C(=O)N[C@@H]1CCCc2sccc21 ZINC000768604527 585540877 /nfs/dbraw/zinc/54/08/77/585540877.db2.gz WUGXNWDFQRUPJN-HXUAIIEXSA-N 0 0 249.379 3.598 20 0 BHADRN CCC/C=C\C(=O)N[C@H]1CCCc2sccc21 ZINC000768604529 585540741 /nfs/dbraw/zinc/54/07/41/585540741.db2.gz WUGXNWDFQRUPJN-LDJOOVGUSA-N 0 0 249.379 3.598 20 0 BHADRN CCC/C=C/C(=O)N[C@@H]1CCCc2sccc21 ZINC000768604531 585540753 /nfs/dbraw/zinc/54/07/53/585540753.db2.gz 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BHADRN CCOc1ccccc1NC1CC(C(F)F)C1 ZINC000768667245 585541659 /nfs/dbraw/zinc/54/16/59/585541659.db2.gz XWUAXEOOYOTREB-UHFFFAOYSA-N 0 0 241.281 3.541 20 0 BHADRN FC(F)C1CC(Nc2cccc3cccnc32)C1 ZINC000768679825 585541875 /nfs/dbraw/zinc/54/18/75/585541875.db2.gz WYBDQJVZYBRQBV-UHFFFAOYSA-N 0 0 248.276 3.690 20 0 BHADRN FC(F)C1CC(Nc2ccc3c(c2)CCC3)C1 ZINC000768689160 585541900 /nfs/dbraw/zinc/54/19/00/585541900.db2.gz QRKYTNFKESSJSP-UHFFFAOYSA-N 0 0 237.293 3.631 20 0 BHADRN FC(F)C1CC(Nc2cncc3ccccc32)C1 ZINC000768705876 585542060 /nfs/dbraw/zinc/54/20/60/585542060.db2.gz DEEVWBNOADTZLN-UHFFFAOYSA-N 0 0 248.276 3.690 20 0 BHADRN CCCC[S@](=O)Cc1ccc(Cl)cc1C ZINC000768758935 585542479 /nfs/dbraw/zinc/54/24/79/585542479.db2.gz FDLWXEYLAHAAFL-HNNXBMFYSA-N 0 0 244.787 3.697 20 0 BHADRN CCCC[S@@](=O)Cc1ccc(Cl)cc1C ZINC000768758947 585542475 /nfs/dbraw/zinc/54/24/75/585542475.db2.gz FDLWXEYLAHAAFL-OAHLLOKOSA-N 0 0 244.787 3.697 20 0 BHADRN Cc1cncc(C(=O)OC2CCCCCCC2)c1 ZINC000768768754 585542726 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COCCSCc1ccc(Cl)cc1C ZINC000768803761 585543814 /nfs/dbraw/zinc/54/38/14/585543814.db2.gz PBLIOZQTESCRDE-UHFFFAOYSA-N 0 0 230.760 3.528 20 0 BHADRN Cc1cc(Cl)ccc1CSc1ncc[nH]1 ZINC000768803793 585543712 /nfs/dbraw/zinc/54/37/12/585543712.db2.gz PKPHBYDBXHBBLF-UHFFFAOYSA-N 0 0 238.743 3.664 20 0 BHADRN Cc1ncn(Cc2ccc(Cl)cc2C)c1C ZINC000768804236 585543671 /nfs/dbraw/zinc/54/36/71/585543671.db2.gz RWLYRTYWEFFNNW-UHFFFAOYSA-N 0 0 234.730 3.510 20 0 BHADRN CCOCCSCc1ccc(Cl)cc1C ZINC000768804539 585543816 /nfs/dbraw/zinc/54/38/16/585543816.db2.gz UMUJBTDBSKWZGV-UHFFFAOYSA-N 0 0 244.787 3.918 20 0 BHADRN CCCc1nccn1Cc1ccc(Cl)cc1C ZINC000768804605 585543626 /nfs/dbraw/zinc/54/36/26/585543626.db2.gz XFTSMCCZPGKWKQ-UHFFFAOYSA-N 0 0 248.757 3.846 20 0 BHADRN Cc1cc(Cl)ccc1CS[C@H](C)[C@@H](C)O ZINC000768804637 585543958 /nfs/dbraw/zinc/54/39/58/585543958.db2.gz ZPSGTKCSSYXVSE-NXEZZACHSA-N 0 0 244.787 3.651 20 0 BHADRN Cc1cc(Cl)ccc1CS[C@@H](C)[C@H](C)O ZINC000768804638 585544014 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CC1(C)CC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000768884486 585545292 /nfs/dbraw/zinc/54/52/92/585545292.db2.gz JNSOQEAWYSNYBX-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN C/C(=C\C(=O)N[C@@H]1CCC(C)(C)C1)C(C)(C)C ZINC000768888918 585545326 /nfs/dbraw/zinc/54/53/26/585545326.db2.gz OCIRVINUXBCGDL-LMMOQWNQSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@H]1CCC(C)(C)C1)C(C)(C)C ZINC000768889603 585545293 /nfs/dbraw/zinc/54/52/93/585545293.db2.gz OCIRVINUXBCGDL-MMRAYRKESA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H]1CCC(C)(C)C1)C(C)(C)C ZINC000768889608 585545384 /nfs/dbraw/zinc/54/53/84/585545384.db2.gz OCIRVINUXBCGDL-UCQJPZFISA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@H]1CCC(C)(C)C1)C(C)(C)C ZINC000768889609 585545450 /nfs/dbraw/zinc/54/54/50/585545450.db2.gz OCIRVINUXBCGDL-ZKQHCESOSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@@H](C)N(OC)C(=O)CCC1CCCCC1 ZINC000768895789 585545564 /nfs/dbraw/zinc/54/55/64/585545564.db2.gz MSDLOBBPSGTCRG-GFCCVEGCSA-N 0 0 241.375 3.535 20 0 BHADRN CC[C@H](C)N(OC)C(=O)CCC1CCCCC1 ZINC000768895790 585545632 /nfs/dbraw/zinc/54/56/32/585545632.db2.gz MSDLOBBPSGTCRG-LBPRGKRZSA-N 0 0 241.375 3.535 20 0 BHADRN Cc1cc(Cl)ccc1COc1cccnc1C ZINC000768921851 585546030 /nfs/dbraw/zinc/54/60/30/585546030.db2.gz HXPPSXNSTKGAFS-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN CC/C=C\CCOc1ccc([C@H](O)CC)cc1 ZINC000768923204 585545896 /nfs/dbraw/zinc/54/58/96/585545896.db2.gz PYNSVDXEWIANPT-IYKSTZQJSA-N 0 0 234.339 3.865 20 0 BHADRN CC/C=C/CCOc1ccc([C@H](O)CC)cc1 ZINC000768923207 585545878 /nfs/dbraw/zinc/54/58/78/585545878.db2.gz PYNSVDXEWIANPT-LLYBFZRZSA-N 0 0 234.339 3.865 20 0 BHADRN CC/C=C/CCOc1ccc([C@@H](O)CC)cc1 ZINC000768923208 585545926 /nfs/dbraw/zinc/54/59/26/585545926.db2.gz PYNSVDXEWIANPT-NFAHFFEMSA-N 0 0 234.339 3.865 20 0 BHADRN CC/C=C\CCOc1ccc([C@@H](O)CC)cc1 ZINC000768923209 585545840 /nfs/dbraw/zinc/54/58/40/585545840.db2.gz PYNSVDXEWIANPT-YVACAVLKSA-N 0 0 234.339 3.865 20 0 BHADRN Cc1cc(C)n(Cc2ccc(Cl)cc2C)n1 ZINC000768923748 585546284 /nfs/dbraw/zinc/54/62/84/585546284.db2.gz UOZFDQQOEHIWKW-UHFFFAOYSA-N 0 0 234.730 3.510 20 0 BHADRN Cc1cccc(OCc2ccc(Cl)cc2C)n1 ZINC000768924659 585546031 /nfs/dbraw/zinc/54/60/31/585546031.db2.gz AOKCVLYXPZFQLN-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN CC/C=C\CCOc1cnc(Cl)cc1C ZINC000768925714 585546196 /nfs/dbraw/zinc/54/61/96/585546196.db2.gz HNDCBNOMQLCSOI-PLNGDYQASA-N 0 0 225.719 3.779 20 0 BHADRN CC/C=C/CCOc1cnc(Cl)cc1C ZINC000768925738 585546240 /nfs/dbraw/zinc/54/62/40/585546240.db2.gz HNDCBNOMQLCSOI-SNAWJCMRSA-N 0 0 225.719 3.779 20 0 BHADRN Cc1ccc(OCc2ccc(Cl)cc2C)cn1 ZINC000768928504 585546083 /nfs/dbraw/zinc/54/60/83/585546083.db2.gz ZRUXBMPMBBQKNM-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN CCCCCC[C@](C)(CC)C(=O)NCCCF ZINC000768928938 585546294 /nfs/dbraw/zinc/54/62/94/585546294.db2.gz IINBXCVTGOZWPM-AWEZNQCLSA-N 0 0 245.382 3.849 20 0 BHADRN CCCCCC[C@@](C)(CC)C(=O)NCCCF ZINC000768928939 585546101 /nfs/dbraw/zinc/54/61/01/585546101.db2.gz IINBXCVTGOZWPM-CQSZACIVSA-N 0 0 245.382 3.849 20 0 BHADRN C/C=C/C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000768930347 585546085 /nfs/dbraw/zinc/54/60/85/585546085.db2.gz STAGHQKWNPIZCD-HSVJCBRXSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C\C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000768930348 585546051 /nfs/dbraw/zinc/54/60/51/585546051.db2.gz STAGHQKWNPIZCD-OKEUPSHZSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C\C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000768930351 585546232 /nfs/dbraw/zinc/54/62/32/585546232.db2.gz STAGHQKWNPIZCD-OLVMAOTFSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C/C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000768930353 585546216 /nfs/dbraw/zinc/54/62/16/585546216.db2.gz STAGHQKWNPIZCD-XCVZWFEFSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)C=C1CCC1 ZINC000768933412 585546271 /nfs/dbraw/zinc/54/62/71/585546271.db2.gz BSBZKXLOGMGEMJ-AWEZNQCLSA-N 0 0 235.371 3.668 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)C=C1CCC1 ZINC000768933413 585546227 /nfs/dbraw/zinc/54/62/27/585546227.db2.gz BSBZKXLOGMGEMJ-CQSZACIVSA-N 0 0 235.371 3.668 20 0 BHADRN CCC[C@H](C)[C@H]1CCCN1C(=O)C=C1CCC1 ZINC000768933447 585546409 /nfs/dbraw/zinc/54/64/09/585546409.db2.gz DZYXNULUUSSLBZ-GXTWGEPZSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1C(=O)C=C1CCC1 ZINC000768933448 585546541 /nfs/dbraw/zinc/54/65/41/585546541.db2.gz DZYXNULUUSSLBZ-JSGCOSHPSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)C=C1CCC1 ZINC000768933449 585546438 /nfs/dbraw/zinc/54/64/38/585546438.db2.gz DZYXNULUUSSLBZ-OCCSQVGLSA-N 0 0 235.371 3.524 20 0 BHADRN CCC[C@@H](C)[C@H]1CCCN1C(=O)C=C1CCC1 ZINC000768933450 585546340 /nfs/dbraw/zinc/54/63/40/585546340.db2.gz DZYXNULUUSSLBZ-TZMCWYRMSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@@H]1CCC(C)C ZINC000768934038 585546519 /nfs/dbraw/zinc/54/65/19/585546519.db2.gz LSRUOGFXQSKIAN-ADWCUHALSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@@H]1CCC(C)C ZINC000768934039 585546450 /nfs/dbraw/zinc/54/64/50/585546450.db2.gz LSRUOGFXQSKIAN-MLHCDPFPSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@H]1CCC(C)C ZINC000768934193 585546421 /nfs/dbraw/zinc/54/64/21/585546421.db2.gz LSRUOGFXQSKIAN-PJCBMZQHSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@H]1CCC(C)C ZINC000768934195 585546405 /nfs/dbraw/zinc/54/64/05/585546405.db2.gz LSRUOGFXQSKIAN-ROQZTEGJSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@@H]1CCCCC ZINC000768934358 585546382 /nfs/dbraw/zinc/54/63/82/585546382.db2.gz OKYGNYNTMPPREQ-DKWVPRMDSA-N 0 0 235.371 3.690 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@@H]1CCCCC ZINC000768934360 585546339 /nfs/dbraw/zinc/54/63/39/585546339.db2.gz OKYGNYNTMPPREQ-IQMSGWPXSA-N 0 0 235.371 3.690 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@H]1CCCCC ZINC000768934361 585546393 /nfs/dbraw/zinc/54/63/93/585546393.db2.gz OKYGNYNTMPPREQ-KCKYAFMMSA-N 0 0 235.371 3.690 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@H]1CCCCC ZINC000768934363 585546437 /nfs/dbraw/zinc/54/64/37/585546437.db2.gz OKYGNYNTMPPREQ-WMWCDHKESA-N 0 0 235.371 3.690 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)/C=C\C1CC1 ZINC000768935335 585546377 /nfs/dbraw/zinc/54/63/77/585546377.db2.gz YDOITYPANHKIAC-BMSUMIBZSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)/C=C\C1CC1 ZINC000768935336 585546491 /nfs/dbraw/zinc/54/64/91/585546491.db2.gz YDOITYPANHKIAC-IWMPZKFUSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)/C=C/C1CC1 ZINC000768935338 585546347 /nfs/dbraw/zinc/54/63/47/585546347.db2.gz YDOITYPANHKIAC-PLSXKVAHSA-N 0 0 235.371 3.524 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)/C=C/C1CC1 ZINC000768935340 585546520 /nfs/dbraw/zinc/54/65/20/585546520.db2.gz YDOITYPANHKIAC-VNDWYCCKSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@@H]1[C@@H](C)CCC ZINC000768935923 585546527 /nfs/dbraw/zinc/54/65/27/585546527.db2.gz ZKTAGCVMXPJSNH-FBYIRONHSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@@H]1[C@@H](C)CCC ZINC000768935925 585546499 /nfs/dbraw/zinc/54/64/99/585546499.db2.gz ZKTAGCVMXPJSNH-HRHORMLBSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CCC[C@@H]1[C@H](C)CCC ZINC000768935926 585546388 /nfs/dbraw/zinc/54/63/88/585546388.db2.gz ZKTAGCVMXPJSNH-MJZLKPQSSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N1CCC[C@@H]1[C@H](C)CCC ZINC000768935928 585546350 /nfs/dbraw/zinc/54/63/50/585546350.db2.gz ZKTAGCVMXPJSNH-UUAOSMDGSA-N 0 0 235.371 3.546 20 0 BHADRN O=C(OCC1CCCCC1)c1ccoc1Cl ZINC000768940597 585546683 /nfs/dbraw/zinc/54/66/83/585546683.db2.gz MNKNUWVGIITNRP-UHFFFAOYSA-N 0 0 242.702 3.670 20 0 BHADRN O=C(OCCC1CCCC1)c1ccoc1Cl ZINC000768941313 585546735 /nfs/dbraw/zinc/54/67/35/585546735.db2.gz QHWRUAVFYXQUTI-UHFFFAOYSA-N 0 0 242.702 3.670 20 0 BHADRN CC(C)(C)CCCOC(=O)c1ccoc1Cl ZINC000768944097 585546722 /nfs/dbraw/zinc/54/67/22/585546722.db2.gz ZQLWWGJZBWGGSH-UHFFFAOYSA-N 0 0 244.718 3.916 20 0 BHADRN CCCCCCC(=O)N1CCc2cccc(F)c21 ZINC000768945189 585546657 /nfs/dbraw/zinc/54/66/57/585546657.db2.gz OCAXGRIVSQBROK-UHFFFAOYSA-N 0 0 249.329 3.685 20 0 BHADRN CCCCCCOC(=O)c1ccoc1Cl ZINC000768952491 585546911 /nfs/dbraw/zinc/54/69/11/585546911.db2.gz QIFPRNTYFCTWJI-UHFFFAOYSA-N 0 0 230.691 3.670 20 0 BHADRN CC(C)CCCOC(=O)c1ccoc1Cl ZINC000768960607 585546861 /nfs/dbraw/zinc/54/68/61/585546861.db2.gz QZEPGVZLJRTDPY-UHFFFAOYSA-N 0 0 230.691 3.526 20 0 BHADRN O=C(NC1CCCCCC1)[C@@H](F)c1ccccc1 ZINC000768961225 585546978 /nfs/dbraw/zinc/54/69/78/585546978.db2.gz CJIQYVLWZCCTAK-AWEZNQCLSA-N 0 0 249.329 3.536 20 0 BHADRN O=C(NC1CCCCCC1)[C@H](F)c1ccccc1 ZINC000768961226 585546841 /nfs/dbraw/zinc/54/68/41/585546841.db2.gz CJIQYVLWZCCTAK-CQSZACIVSA-N 0 0 249.329 3.536 20 0 BHADRN CC(C)(C)CCOC(=O)c1ccoc1Cl ZINC000768963151 585546832 /nfs/dbraw/zinc/54/68/32/585546832.db2.gz RXHIHKLNTPJEFB-UHFFFAOYSA-N 0 0 230.691 3.526 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](F)c2ccccc2)cc1 ZINC000768963235 585546839 /nfs/dbraw/zinc/54/68/39/585546839.db2.gz DKTLGYXZSVXPIO-AWEZNQCLSA-N 0 0 243.281 3.644 20 0 BHADRN Cc1ccc(NC(=O)[C@H](F)c2ccccc2)cc1 ZINC000768963236 585547004 /nfs/dbraw/zinc/54/70/04/585547004.db2.gz DKTLGYXZSVXPIO-CQSZACIVSA-N 0 0 243.281 3.644 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](F)c2ccccc2)c1 ZINC000768964762 585546793 /nfs/dbraw/zinc/54/67/93/585546793.db2.gz FPELMQKSUNCJJX-AWEZNQCLSA-N 0 0 243.281 3.644 20 0 BHADRN Cc1cccc(NC(=O)[C@H](F)c2ccccc2)c1 ZINC000768964764 585546963 /nfs/dbraw/zinc/54/69/63/585546963.db2.gz FPELMQKSUNCJJX-CQSZACIVSA-N 0 0 243.281 3.644 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H](F)c1ccccc1 ZINC000768968278 585547080 /nfs/dbraw/zinc/54/70/80/585547080.db2.gz SYELFUXUEUBKMC-AWEZNQCLSA-N 0 0 243.281 3.644 20 0 BHADRN Cc1ccccc1NC(=O)[C@H](F)c1ccccc1 ZINC000768968280 585547069 /nfs/dbraw/zinc/54/70/69/585547069.db2.gz SYELFUXUEUBKMC-CQSZACIVSA-N 0 0 243.281 3.644 20 0 BHADRN CCC(C)(C)CCOC(=O)c1ccoc1Cl ZINC000768976846 585547078 /nfs/dbraw/zinc/54/70/78/585547078.db2.gz ZKXNHYPHUMNPSX-UHFFFAOYSA-N 0 0 244.718 3.916 20 0 BHADRN CCCCCCNC(=O)C[C@H]1CCC[C@H]1C ZINC000768983251 585547188 /nfs/dbraw/zinc/54/71/88/585547188.db2.gz UOPVIGVQZSVYCK-CHWSQXEVSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCCNC(=O)C[C@@H]1CCC[C@H]1C ZINC000768983254 585547144 /nfs/dbraw/zinc/54/71/44/585547144.db2.gz UOPVIGVQZSVYCK-OLZOCXBDSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCCNC(=O)C[C@H]1CCC[C@@H]1C ZINC000768983256 585547212 /nfs/dbraw/zinc/54/72/12/585547212.db2.gz UOPVIGVQZSVYCK-QWHCGFSZSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC000768983258 585547050 /nfs/dbraw/zinc/54/70/50/585547050.db2.gz UOPVIGVQZSVYCK-STQMWFEESA-N 0 0 225.376 3.509 20 0 BHADRN Cc1cscc1NC(=O)[C@H](F)c1ccccc1 ZINC000769005614 585547537 /nfs/dbraw/zinc/54/75/37/585547537.db2.gz PPIKRJIITGEMJP-GFCCVEGCSA-N 0 0 249.310 3.706 20 0 BHADRN Cc1cscc1NC(=O)[C@@H](F)c1ccccc1 ZINC000769005616 585547374 /nfs/dbraw/zinc/54/73/74/585547374.db2.gz PPIKRJIITGEMJP-LBPRGKRZSA-N 0 0 249.310 3.706 20 0 BHADRN CC(C)=CC(=O)N[C@H]1CCC[C@H](C(C)C)CC1 ZINC000769015003 585547634 /nfs/dbraw/zinc/54/76/34/585547634.db2.gz HHLGBLOKAPOUQV-KBPBESRZSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC000769015005 585547606 /nfs/dbraw/zinc/54/76/06/585547606.db2.gz HHLGBLOKAPOUQV-KGLIPLIRSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 ZINC000769015007 585547780 /nfs/dbraw/zinc/54/77/80/585547780.db2.gz HHLGBLOKAPOUQV-UONOGXRCSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000769015008 585547737 /nfs/dbraw/zinc/54/77/37/585547737.db2.gz HHLGBLOKAPOUQV-ZIAGYGMSSA-N 0 0 237.387 3.674 20 0 BHADRN CC[C@@H](C)C(=O)OCc1ccc(Cl)cc1C ZINC000769071730 585548672 /nfs/dbraw/zinc/54/86/72/585548672.db2.gz XPCPPYBCIRXOHQ-SECBINFHSA-N 0 0 240.730 3.738 20 0 BHADRN CC[C@H](C)C(=O)OCc1ccc(Cl)cc1C ZINC000769071911 585548548 /nfs/dbraw/zinc/54/85/48/585548548.db2.gz XPCPPYBCIRXOHQ-VIFPVBQESA-N 0 0 240.730 3.738 20 0 BHADRN c1cc(CN(Cc2ccsc2)C2CC2)co1 ZINC000769082511 585548679 /nfs/dbraw/zinc/54/86/79/585548679.db2.gz FGOBSYREPDDZCX-UHFFFAOYSA-N 0 0 233.336 3.506 20 0 BHADRN Cc1cc(Cl)ccc1COC(=O)C(C)(C)C ZINC000769084838 585548596 /nfs/dbraw/zinc/54/85/96/585548596.db2.gz VUTYBJWEJSJNHV-UHFFFAOYSA-N 0 0 240.730 3.738 20 0 BHADRN CCCN(CC1CCCCC1)C(=O)C(C)(C)F ZINC000769094339 585548899 /nfs/dbraw/zinc/54/88/99/585548899.db2.gz LAWRLBKZYKKCDO-UHFFFAOYSA-N 0 0 243.366 3.553 20 0 BHADRN C[C@H](OC(=O)[C@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000769139655 585549706 /nfs/dbraw/zinc/54/97/06/585549706.db2.gz XQEJENUSFWMTOM-AUTRQRHGSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@@H](OC(=O)[C@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000769139656 585549857 /nfs/dbraw/zinc/54/98/57/585549857.db2.gz XQEJENUSFWMTOM-SBMIAAHKSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@H](OC(=O)[C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000769140462 585549816 /nfs/dbraw/zinc/54/98/16/585549816.db2.gz NYOJHKAYADBLOF-AUTRQRHGSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@@H](OC(=O)[C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000769140463 585549840 /nfs/dbraw/zinc/54/98/40/585549840.db2.gz NYOJHKAYADBLOF-SBMIAAHKSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@@H](OC(=O)[C@H]1C[C@@H]1C)c1ccccc1Cl ZINC000769140954 585549754 /nfs/dbraw/zinc/54/97/54/585549754.db2.gz ZZPHHFHLQDPCBR-NGZCFLSTSA-N 0 0 238.714 3.600 20 0 BHADRN CC/C=C\CCOC(=O)[C@H](F)c1ccccc1 ZINC000769153378 585550225 /nfs/dbraw/zinc/55/02/25/585550225.db2.gz AUMWEAPHGXLONG-DHCBQETCSA-N 0 0 236.286 3.597 20 0 BHADRN CC/C=C/CCOC(=O)[C@H](F)c1ccccc1 ZINC000769153380 585550359 /nfs/dbraw/zinc/55/03/59/585550359.db2.gz AUMWEAPHGXLONG-ITDFMYJTSA-N 0 0 236.286 3.597 20 0 BHADRN CC/C=C/CCOC(=O)[C@@H](F)c1ccccc1 ZINC000769153381 585550388 /nfs/dbraw/zinc/55/03/88/585550388.db2.gz AUMWEAPHGXLONG-OOPCZODUSA-N 0 0 236.286 3.597 20 0 BHADRN CC/C=C\CCOC(=O)[C@@H](F)c1ccccc1 ZINC000769153383 585550210 /nfs/dbraw/zinc/55/02/10/585550210.db2.gz AUMWEAPHGXLONG-SCOBNMCVSA-N 0 0 236.286 3.597 20 0 BHADRN C/C=C(/C=C\C(=O)N[C@@H]1CCC(C)(C)C1)CC ZINC000769154473 585550339 /nfs/dbraw/zinc/55/03/39/585550339.db2.gz OHTBQMFQKALLEU-JRQGOMMHSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C(/C=C\C(=O)N[C@H]1CCC(C)(C)C1)CC ZINC000769154475 585550365 /nfs/dbraw/zinc/55/03/65/585550365.db2.gz OHTBQMFQKALLEU-RQMGTARNSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C(/C=C/C(=O)N[C@H]1CCC(C)(C)C1)CC ZINC000769154478 585550228 /nfs/dbraw/zinc/55/02/28/585550228.db2.gz OHTBQMFQKALLEU-XYVCKLHESA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C(/C=C/C(=O)N[C@@H]1CCC(C)(C)C1)CC ZINC000769154480 585550415 /nfs/dbraw/zinc/55/04/15/585550415.db2.gz OHTBQMFQKALLEU-YZPIZQKFSA-N 0 0 235.371 3.594 20 0 BHADRN CCCCCCOC(=O)[C@H](F)c1ccccc1 ZINC000769154863 585550322 /nfs/dbraw/zinc/55/03/22/585550322.db2.gz KDVSUNGENJKESB-CYBMUJFWSA-N 0 0 238.302 3.821 20 0 BHADRN CCCCCCOC(=O)[C@@H](F)c1ccccc1 ZINC000769154864 585550411 /nfs/dbraw/zinc/55/04/11/585550411.db2.gz KDVSUNGENJKESB-ZDUSSCGKSA-N 0 0 238.302 3.821 20 0 BHADRN CC(C)(C)CCOC(=O)[C@H](F)c1ccccc1 ZINC000769155247 585550233 /nfs/dbraw/zinc/55/02/33/585550233.db2.gz FEFGNPVAOHKGCE-GFCCVEGCSA-N 0 0 238.302 3.677 20 0 BHADRN CC(C)(C)CCOC(=O)[C@@H](F)c1ccccc1 ZINC000769155251 585550371 /nfs/dbraw/zinc/55/03/71/585550371.db2.gz FEFGNPVAOHKGCE-LBPRGKRZSA-N 0 0 238.302 3.677 20 0 BHADRN CC(C(=O)N[C@@H]1CCC(C)(C)C1)=C1CCCC1 ZINC000769155428 585550344 /nfs/dbraw/zinc/55/03/44/585550344.db2.gz UXNQTOAVERIEHD-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@H]1CCC(C)(C)C1)=C1CCCC1 ZINC000769155429 585550400 /nfs/dbraw/zinc/55/04/00/585550400.db2.gz UXNQTOAVERIEHD-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN C[C@H](OC(=O)C[C@@H]1CCC[C@H]1C)c1ccncc1 ZINC000769176436 585550738 /nfs/dbraw/zinc/55/07/38/585550738.db2.gz PYQXYEUQFIFESX-DYEKYZERSA-N 0 0 247.338 3.512 20 0 BHADRN C[C@H](OC(=O)C[C@H]1CCC[C@H]1C)c1ccncc1 ZINC000769176438 585550780 /nfs/dbraw/zinc/55/07/80/585550780.db2.gz PYQXYEUQFIFESX-MBNYWOFBSA-N 0 0 247.338 3.512 20 0 BHADRN C[C@H](OC(=O)C[C@@H]1CCC[C@@H]1C)c1ccncc1 ZINC000769176439 585550661 /nfs/dbraw/zinc/55/06/61/585550661.db2.gz PYQXYEUQFIFESX-OBJOEFQTSA-N 0 0 247.338 3.512 20 0 BHADRN C[C@H](OC(=O)C[C@H]1CCC[C@@H]1C)c1ccncc1 ZINC000769176440 585550680 /nfs/dbraw/zinc/55/06/80/585550680.db2.gz PYQXYEUQFIFESX-SGMGOOAPSA-N 0 0 247.338 3.512 20 0 BHADRN CCC/C=C\C(=O)Nc1ccc(OCCC)cc1 ZINC000769187981 585550985 /nfs/dbraw/zinc/55/09/85/585550985.db2.gz MJVJCZBKHRMLPN-SREVYHEPSA-N 0 0 247.338 3.770 20 0 BHADRN CCC/C=C/C(=O)Nc1ccc(OCCC)cc1 ZINC000769187984 585550997 /nfs/dbraw/zinc/55/09/97/585550997.db2.gz MJVJCZBKHRMLPN-VOTSOKGWSA-N 0 0 247.338 3.770 20 0 BHADRN CCCOc1ccc(NC(=O)C(C)=C(C)C)cc1 ZINC000769189920 585550995 /nfs/dbraw/zinc/55/09/95/585550995.db2.gz XRDUDOODSDOAEQ-UHFFFAOYSA-N 0 0 247.338 3.770 20 0 BHADRN CCC1(C)CCN(Cc2coc(C3CC3)n2)CC1 ZINC000769232841 585551634 /nfs/dbraw/zinc/55/16/34/585551634.db2.gz OGDZONKTYZXIHY-UHFFFAOYSA-N 0 0 248.370 3.564 20 0 BHADRN CC(C(=O)N(CC1CCC1)C(C)C)=C1CCCC1 ZINC000769251637 585551753 /nfs/dbraw/zinc/55/17/53/585551753.db2.gz DNWUNTLKAAZCPK-UHFFFAOYSA-N 0 0 249.398 3.914 20 0 BHADRN Cc1cc(OC(=O)[C@H]2C[C@@H]2C)ccc1C(C)C ZINC000769279551 585552377 /nfs/dbraw/zinc/55/23/77/585552377.db2.gz BQBWUHCIHKLVEZ-FZMZJTMJSA-N 0 0 232.323 3.680 20 0 BHADRN Cc1ccccc1OC(=O)[C@@H](F)c1ccccc1 ZINC000769280347 585552467 /nfs/dbraw/zinc/55/24/67/585552467.db2.gz JQUDLEMYYQRCOK-AWEZNQCLSA-N 0 0 244.265 3.611 20 0 BHADRN Cc1ccccc1OC(=O)[C@H](F)c1ccccc1 ZINC000769280348 585552391 /nfs/dbraw/zinc/55/23/91/585552391.db2.gz JQUDLEMYYQRCOK-CQSZACIVSA-N 0 0 244.265 3.611 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)Oc1ccc(F)cc1 ZINC000769280354 585552468 /nfs/dbraw/zinc/55/24/68/585552468.db2.gz JUVLGXNVZSUZCY-GHMZBOCLSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)Oc1ccc(F)cc1 ZINC000769280355 585552465 /nfs/dbraw/zinc/55/24/65/585552465.db2.gz JUVLGXNVZSUZCY-MNOVXSKESA-N 0 0 236.286 3.557 20 0 BHADRN C[C@H]1CCC[C@H]1CC(=O)Oc1ccc(F)cc1 ZINC000769280357 585552417 /nfs/dbraw/zinc/55/24/17/585552417.db2.gz JUVLGXNVZSUZCY-QWRGUYRKSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@H]1CCC[C@@H]1CC(=O)Oc1ccc(F)cc1 ZINC000769280359 585552329 /nfs/dbraw/zinc/55/23/29/585552329.db2.gz JUVLGXNVZSUZCY-WDEREUQCSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)Oc1ccccc1F ZINC000769280823 585552323 /nfs/dbraw/zinc/55/23/23/585552323.db2.gz OLQMDRKYVOOZQO-GHMZBOCLSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)Oc1ccccc1F ZINC000769280826 585552408 /nfs/dbraw/zinc/55/24/08/585552408.db2.gz OLQMDRKYVOOZQO-MNOVXSKESA-N 0 0 236.286 3.557 20 0 BHADRN C[C@H]1CCC[C@H]1CC(=O)Oc1ccccc1F ZINC000769280828 585552517 /nfs/dbraw/zinc/55/25/17/585552517.db2.gz OLQMDRKYVOOZQO-QWRGUYRKSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@H]1CCC[C@@H]1CC(=O)Oc1ccccc1F ZINC000769280831 585552478 /nfs/dbraw/zinc/55/24/78/585552478.db2.gz OLQMDRKYVOOZQO-WDEREUQCSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)Oc1cccc(F)c1 ZINC000769281015 585552368 /nfs/dbraw/zinc/55/23/68/585552368.db2.gz RDLXUEDYMRTFQD-GHMZBOCLSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)Oc1cccc(F)c1 ZINC000769281022 585552531 /nfs/dbraw/zinc/55/25/31/585552531.db2.gz RDLXUEDYMRTFQD-MNOVXSKESA-N 0 0 236.286 3.557 20 0 BHADRN C[C@H]1CCC[C@H]1CC(=O)Oc1cccc(F)c1 ZINC000769281027 585552507 /nfs/dbraw/zinc/55/25/07/585552507.db2.gz RDLXUEDYMRTFQD-QWRGUYRKSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@H]1CCC[C@@H]1CC(=O)Oc1cccc(F)c1 ZINC000769281030 585552414 /nfs/dbraw/zinc/55/24/14/585552414.db2.gz RDLXUEDYMRTFQD-WDEREUQCSA-N 0 0 236.286 3.557 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](F)c2ccccc2)cc1 ZINC000769281114 585552351 /nfs/dbraw/zinc/55/23/51/585552351.db2.gz TUMUFMRIZQLXQF-AWEZNQCLSA-N 0 0 244.265 3.611 20 0 BHADRN Cc1ccc(OC(=O)[C@H](F)c2ccccc2)cc1 ZINC000769281115 585552338 /nfs/dbraw/zinc/55/23/38/585552338.db2.gz TUMUFMRIZQLXQF-CQSZACIVSA-N 0 0 244.265 3.611 20 0 BHADRN Cc1cc(OC(=O)[C@H]2C[C@@H]2C)cc(C)c1Cl ZINC000769281180 585552325 /nfs/dbraw/zinc/55/23/25/585552325.db2.gz GUYNSJVADRXALR-CPCISQLKSA-N 0 0 238.714 3.518 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](F)c2ccccc2)c1 ZINC000769281576 585552474 /nfs/dbraw/zinc/55/24/74/585552474.db2.gz VOFCBXYVGULIBP-AWEZNQCLSA-N 0 0 244.265 3.611 20 0 BHADRN Cc1cccc(OC(=O)[C@H](F)c2ccccc2)c1 ZINC000769281577 585552450 /nfs/dbraw/zinc/55/24/50/585552450.db2.gz VOFCBXYVGULIBP-CQSZACIVSA-N 0 0 244.265 3.611 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)Oc1cccc(C(C)(C)C)c1 ZINC000769281632 585552493 /nfs/dbraw/zinc/55/24/93/585552493.db2.gz XBCGONZDQSZBTC-GWCFXTLKSA-N 0 0 232.323 3.546 20 0 BHADRN O=C(OC1CCCCC1)[C@H](F)c1ccccc1 ZINC000769281747 585552444 /nfs/dbraw/zinc/55/24/44/585552444.db2.gz YWTIVPPWVSENMT-CYBMUJFWSA-N 0 0 236.286 3.573 20 0 BHADRN O=C(OC1CCCCC1)[C@@H](F)c1ccccc1 ZINC000769281750 585552337 /nfs/dbraw/zinc/55/23/37/585552337.db2.gz YWTIVPPWVSENMT-ZDUSSCGKSA-N 0 0 236.286 3.573 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1c(F)cccc1Cl ZINC000769288308 585552562 /nfs/dbraw/zinc/55/25/62/585552562.db2.gz UPDQRQVQVIXGBG-MRVPVSSYSA-N 0 0 244.693 3.821 20 0 BHADRN CCC[C@H](C)C(=O)Oc1c(F)cccc1Cl ZINC000769288311 585552753 /nfs/dbraw/zinc/55/27/53/585552753.db2.gz UPDQRQVQVIXGBG-QMMMGPOBSA-N 0 0 244.693 3.821 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@@H](F)c1ccccc1 ZINC000769289617 585552682 /nfs/dbraw/zinc/55/26/82/585552682.db2.gz BNLCPANDZKEXLK-AAEUAGOBSA-N 0 0 238.302 3.675 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)[C@H](F)c1ccccc1 ZINC000769289620 585552698 /nfs/dbraw/zinc/55/26/98/585552698.db2.gz BNLCPANDZKEXLK-DGCLKSJQSA-N 0 0 238.302 3.675 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@H](F)c1ccccc1 ZINC000769289621 585552598 /nfs/dbraw/zinc/55/25/98/585552598.db2.gz BNLCPANDZKEXLK-WCQYABFASA-N 0 0 238.302 3.675 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)[C@@H](F)c1ccccc1 ZINC000769289623 585552588 /nfs/dbraw/zinc/55/25/88/585552588.db2.gz BNLCPANDZKEXLK-YPMHNXCESA-N 0 0 238.302 3.675 20 0 BHADRN C/C=C/C=C\C(=O)Oc1c(F)cccc1Cl ZINC000769290618 585552718 /nfs/dbraw/zinc/55/27/18/585552718.db2.gz FXCNZOOJZHOVFP-HOJFPOIOSA-N 0 0 240.661 3.517 20 0 BHADRN O=C(OC[C@H]1CC=CCC1)[C@H](F)c1ccccc1 ZINC000769291855 585552600 /nfs/dbraw/zinc/55/26/00/585552600.db2.gz LNUYLSYJVBYIQT-GXTWGEPZSA-N 0 0 248.297 3.597 20 0 BHADRN O=C(OC[C@H]1CC=CCC1)[C@@H](F)c1ccccc1 ZINC000769291858 585552666 /nfs/dbraw/zinc/55/26/66/585552666.db2.gz LNUYLSYJVBYIQT-JSGCOSHPSA-N 0 0 248.297 3.597 20 0 BHADRN O=C(OC[C@@H]1CC=CCC1)[C@@H](F)c1ccccc1 ZINC000769291861 585552660 /nfs/dbraw/zinc/55/26/60/585552660.db2.gz LNUYLSYJVBYIQT-OCCSQVGLSA-N 0 0 248.297 3.597 20 0 BHADRN CC[C@@H](OC(=O)[C@H]1C[C@@H]1C)c1ccc(C)cc1 ZINC000769293018 585552594 /nfs/dbraw/zinc/55/25/94/585552594.db2.gz NFPUOTLVHNGJOG-FPMFFAJLSA-N 0 0 232.323 3.645 20 0 BHADRN CC[C@H](OC(=O)[C@H]1C[C@@H]1C)c1ccc(C)cc1 ZINC000769293021 585552649 /nfs/dbraw/zinc/55/26/49/585552649.db2.gz NFPUOTLVHNGJOG-UBHSHLNASA-N 0 0 232.323 3.645 20 0 BHADRN O=C(OC[C@@H]1CC=CCC1)[C@H](F)c1ccccc1 ZINC000769293186 585552604 /nfs/dbraw/zinc/55/26/04/585552604.db2.gz LNUYLSYJVBYIQT-TZMCWYRMSA-N 0 0 248.297 3.597 20 0 BHADRN CC1(C(=O)Oc2c(F)cccc2Cl)CCC1 ZINC000769293915 585552925 /nfs/dbraw/zinc/55/29/25/585552925.db2.gz DXBXYGACYFKKJC-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)OCc1cccs1 ZINC000769294317 585552829 /nfs/dbraw/zinc/55/28/29/585552829.db2.gz QVIFFMHJBJPXLU-GHMZBOCLSA-N 0 0 238.352 3.618 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)OCc1cccs1 ZINC000769294402 585552862 /nfs/dbraw/zinc/55/28/62/585552862.db2.gz QVIFFMHJBJPXLU-MNOVXSKESA-N 0 0 238.352 3.618 20 0 BHADRN C[C@H]1CCC[C@H]1CC(=O)OCc1cccs1 ZINC000769294404 585552916 /nfs/dbraw/zinc/55/29/16/585552916.db2.gz QVIFFMHJBJPXLU-QWRGUYRKSA-N 0 0 238.352 3.618 20 0 BHADRN C[C@H]1CCC[C@@H]1CC(=O)OCc1cccs1 ZINC000769294413 585552797 /nfs/dbraw/zinc/55/27/97/585552797.db2.gz QVIFFMHJBJPXLU-WDEREUQCSA-N 0 0 238.352 3.618 20 0 BHADRN CCCCCC(=O)Oc1c(F)cccc1Cl ZINC000769296265 585552811 /nfs/dbraw/zinc/55/28/11/585552811.db2.gz NMPRYFHAYDOKON-UHFFFAOYSA-N 0 0 244.693 3.965 20 0 BHADRN CC(C)=C(C)C(=O)Oc1c(F)cccc1Cl ZINC000769296691 585552762 /nfs/dbraw/zinc/55/27/62/585552762.db2.gz PAKHLJGSISLUBO-UHFFFAOYSA-N 0 0 242.677 3.741 20 0 BHADRN CC(C)CCCOC(=O)[C@H](F)c1ccccc1 ZINC000769296852 585552926 /nfs/dbraw/zinc/55/29/26/585552926.db2.gz XTYARCFSCOUTCE-CYBMUJFWSA-N 0 0 238.302 3.677 20 0 BHADRN CC(C)CCCOC(=O)[C@@H](F)c1ccccc1 ZINC000769296859 584959699 /nfs/dbraw/zinc/95/96/99/584959699.db2.gz XTYARCFSCOUTCE-ZDUSSCGKSA-N 0 0 238.302 3.677 20 0 BHADRN CC(C)CCC(=O)Oc1c(F)cccc1Cl ZINC000769297950 585552940 /nfs/dbraw/zinc/55/29/40/585552940.db2.gz XKSJNGBTMMSANK-UHFFFAOYSA-N 0 0 244.693 3.821 20 0 BHADRN CCC(C)(C)COC(=O)[C@H](F)c1ccccc1 ZINC000769303046 585553008 /nfs/dbraw/zinc/55/30/08/585553008.db2.gz DVMVFLOZZIIJJA-GFCCVEGCSA-N 0 0 238.302 3.677 20 0 BHADRN CCC(C)(C)COC(=O)[C@@H](F)c1ccccc1 ZINC000769303048 585553176 /nfs/dbraw/zinc/55/31/76/585553176.db2.gz DVMVFLOZZIIJJA-LBPRGKRZSA-N 0 0 238.302 3.677 20 0 BHADRN C[C@H]1CCC[C@@H]1CC(=O)OCc1ccsc1 ZINC000769304285 585553059 /nfs/dbraw/zinc/55/30/59/585553059.db2.gz RXZCTHQXLGZYFR-CMPLNLGQSA-N 0 0 238.352 3.618 20 0 BHADRN C[C@H]1CCC[C@H]1CC(=O)OCc1ccsc1 ZINC000769304286 585553113 /nfs/dbraw/zinc/55/31/13/585553113.db2.gz RXZCTHQXLGZYFR-JQWIXIFHSA-N 0 0 238.352 3.618 20 0 BHADRN C[C@@H]1CCC[C@H]1CC(=O)OCc1ccsc1 ZINC000769304287 585553103 /nfs/dbraw/zinc/55/31/03/585553103.db2.gz RXZCTHQXLGZYFR-PWSUYJOCSA-N 0 0 238.352 3.618 20 0 BHADRN C[C@@H]1CCC[C@@H]1CC(=O)OCc1ccsc1 ZINC000769304288 585553037 /nfs/dbraw/zinc/55/30/37/585553037.db2.gz RXZCTHQXLGZYFR-ZYHUDNBSSA-N 0 0 238.352 3.618 20 0 BHADRN C[C@H](OC(=O)C[C@H]1CCC[C@H]1C)c1ccco1 ZINC000769304909 585553048 /nfs/dbraw/zinc/55/30/48/585553048.db2.gz HOZQFROTFCFBHE-GRYCIOLGSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)C[C@H]1CCC[C@H]1C)c1ccco1 ZINC000769304910 585552995 /nfs/dbraw/zinc/55/29/95/585552995.db2.gz HOZQFROTFCFBHE-IJLUTSLNSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)C[C@H]1CCC[C@@H]1C)c1ccco1 ZINC000769304911 585553172 /nfs/dbraw/zinc/55/31/72/585553172.db2.gz HOZQFROTFCFBHE-QJPTWQEYSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@H](OC(=O)C[C@H]1CCC[C@@H]1C)c1ccco1 ZINC000769304912 585553023 /nfs/dbraw/zinc/55/30/23/585553023.db2.gz HOZQFROTFCFBHE-SDDRHHMPSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@H](OC(=O)C[C@@H]1CCC[C@@H]1C)c1ccco1 ZINC000769304913 585553045 /nfs/dbraw/zinc/55/30/45/585553045.db2.gz HOZQFROTFCFBHE-SRVKXCTJSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)C[C@@H]1CCC[C@@H]1C)c1ccco1 ZINC000769304914 585553072 /nfs/dbraw/zinc/55/30/72/585553072.db2.gz HOZQFROTFCFBHE-TUAOUCFPSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@@H](OC(=O)C[C@@H]1CCC[C@H]1C)c1ccco1 ZINC000769304915 585553117 /nfs/dbraw/zinc/55/31/17/585553117.db2.gz HOZQFROTFCFBHE-UTUOFQBUSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@H](OC(=O)C[C@@H]1CCC[C@H]1C)c1ccco1 ZINC000769304916 585553132 /nfs/dbraw/zinc/55/31/32/585553132.db2.gz HOZQFROTFCFBHE-WOPDTQHZSA-N 0 0 236.311 3.710 20 0 BHADRN C[C@H](OC(=O)[C@@H](F)c1ccccc1)c1ccco1 ZINC000769306570 585553246 /nfs/dbraw/zinc/55/32/46/585553246.db2.gz QLKWNRMRUVDHIV-GWCFXTLKSA-N 0 0 248.253 3.595 20 0 BHADRN C[C@H](OC(=O)[C@H](F)c1ccccc1)c1ccco1 ZINC000769306575 585553266 /nfs/dbraw/zinc/55/32/66/585553266.db2.gz QLKWNRMRUVDHIV-GXFFZTMASA-N 0 0 248.253 3.595 20 0 BHADRN C[C@@H](OC(=O)[C@@H](F)c1ccccc1)c1ccco1 ZINC000769306579 585553363 /nfs/dbraw/zinc/55/33/63/585553363.db2.gz QLKWNRMRUVDHIV-MFKMUULPSA-N 0 0 248.253 3.595 20 0 BHADRN C[C@@H](OC(=O)[C@H](F)c1ccccc1)c1ccco1 ZINC000769306583 585553224 /nfs/dbraw/zinc/55/32/24/585553224.db2.gz QLKWNRMRUVDHIV-ZWNOBZJWSA-N 0 0 248.253 3.595 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)[C@H]1C[C@@H]1C ZINC000769307561 585553216 /nfs/dbraw/zinc/55/32/16/585553216.db2.gz BUHLQADJNOGYDR-XQQFMLRXSA-N 0 0 232.323 3.564 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)[C@H]1C[C@@H]1C ZINC000769308719 585553253 /nfs/dbraw/zinc/55/32/53/585553253.db2.gz IRRBNJXIFAKLBN-AUZPSNTRSA-N 0 0 244.334 3.743 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)[C@H]1C[C@@H]1C ZINC000769308722 585553342 /nfs/dbraw/zinc/55/33/42/585553342.db2.gz IRRBNJXIFAKLBN-IMIFBBOLSA-N 0 0 244.334 3.743 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)[C@H]1C[C@@H]1C ZINC000769308725 585553241 /nfs/dbraw/zinc/55/32/41/585553241.db2.gz IRRBNJXIFAKLBN-UZGDPCLZSA-N 0 0 244.334 3.743 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@H](F)c1ccccc1 ZINC000769311555 585553404 /nfs/dbraw/zinc/55/34/04/585553404.db2.gz DPGBMYCPHNORKO-CHWSQXEVSA-N 0 0 238.302 3.819 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@@H](F)c1ccccc1 ZINC000769311558 585553252 /nfs/dbraw/zinc/55/32/52/585553252.db2.gz DPGBMYCPHNORKO-OLZOCXBDSA-N 0 0 238.302 3.819 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@H](F)c1ccccc1 ZINC000769311560 585553376 /nfs/dbraw/zinc/55/33/76/585553376.db2.gz DPGBMYCPHNORKO-QWHCGFSZSA-N 0 0 238.302 3.819 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@@H](F)c1ccccc1 ZINC000769311563 585553373 /nfs/dbraw/zinc/55/33/73/585553373.db2.gz DPGBMYCPHNORKO-STQMWFEESA-N 0 0 238.302 3.819 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000769311719 585553391 /nfs/dbraw/zinc/55/33/91/585553391.db2.gz PJZLOVGSUQENNC-BTLPXRKTSA-N 0 0 249.398 3.914 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000769311722 585553331 /nfs/dbraw/zinc/55/33/31/585553331.db2.gz PJZLOVGSUQENNC-JMFZVXOESA-N 0 0 249.398 3.914 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000769311727 585553330 /nfs/dbraw/zinc/55/33/30/585553330.db2.gz PJZLOVGSUQENNC-NKHYGLGHSA-N 0 0 249.398 3.914 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000769311729 585553374 /nfs/dbraw/zinc/55/33/74/585553374.db2.gz PJZLOVGSUQENNC-TVBJEHIUSA-N 0 0 249.398 3.914 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC[C@H]1CCC(C)C ZINC000769313828 585553570 /nfs/dbraw/zinc/55/35/70/585553570.db2.gz ZYVJMABNIVLTRA-GUNGLEHYSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC[C@H]1CCC(C)C ZINC000769313831 585553584 /nfs/dbraw/zinc/55/35/84/585553584.db2.gz ZYVJMABNIVLTRA-LVOZBFFPSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC[C@@H]1CCC(C)C ZINC000769313834 584961311 /nfs/dbraw/zinc/96/13/11/584961311.db2.gz ZYVJMABNIVLTRA-SVSAJMPUSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC[C@@H]1CCC(C)C ZINC000769313838 584961298 /nfs/dbraw/zinc/96/12/98/584961298.db2.gz ZYVJMABNIVLTRA-WTWVRAIASA-N 0 0 237.387 3.770 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@@H](F)c1ccccc1 ZINC000769315302 585553439 /nfs/dbraw/zinc/55/34/39/585553439.db2.gz OBEARJSEDNVWHD-AAEUAGOBSA-N 0 0 238.302 3.819 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@H](F)c1ccccc1 ZINC000769315303 584961385 /nfs/dbraw/zinc/96/13/85/584961385.db2.gz OBEARJSEDNVWHD-DGCLKSJQSA-N 0 0 238.302 3.819 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@H](F)c1ccccc1 ZINC000769315304 584961330 /nfs/dbraw/zinc/96/13/30/584961330.db2.gz OBEARJSEDNVWHD-WCQYABFASA-N 0 0 238.302 3.819 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@@H](F)c1ccccc1 ZINC000769315305 584961175 /nfs/dbraw/zinc/96/11/75/584961175.db2.gz OBEARJSEDNVWHD-YPMHNXCESA-N 0 0 238.302 3.819 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@H]1CCCCC ZINC000769317052 585553817 /nfs/dbraw/zinc/55/38/17/585553817.db2.gz AGPKHDDKKFZIMX-QWGHSUKYSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@@H]1CCCCC ZINC000769317055 585553705 /nfs/dbraw/zinc/55/37/05/585553705.db2.gz AGPKHDDKKFZIMX-XLVZXTRVSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@@H]1CCCCC ZINC000769317058 585553743 /nfs/dbraw/zinc/55/37/43/585553743.db2.gz AGPKHDDKKFZIMX-YFTXEMMHSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@H]1CCCCC ZINC000769317060 585553791 /nfs/dbraw/zinc/55/37/91/585553791.db2.gz AGPKHDDKKFZIMX-YQJFHSMKSA-N 0 0 223.360 3.524 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)C(C)=C(C)C ZINC000769319453 585553759 /nfs/dbraw/zinc/55/37/59/585553759.db2.gz QEMPCMAXZWITBN-AWEZNQCLSA-N 0 0 237.387 3.914 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)C(C)=C(C)C ZINC000769319454 585553653 /nfs/dbraw/zinc/55/36/53/585553653.db2.gz QEMPCMAXZWITBN-CQSZACIVSA-N 0 0 237.387 3.914 20 0 BHADRN CCC[C@H](C)[C@H]1CCCN1C(=O)C(C)=C(C)C ZINC000769319817 585553825 /nfs/dbraw/zinc/55/38/25/585553825.db2.gz UUMOTSBRYHABBG-GXTWGEPZSA-N 0 0 237.387 3.770 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1C(=O)C(C)=C(C)C ZINC000769319818 585553673 /nfs/dbraw/zinc/55/36/73/585553673.db2.gz UUMOTSBRYHABBG-JSGCOSHPSA-N 0 0 237.387 3.770 20 0 BHADRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)C(C)=C(C)C ZINC000769319819 585553857 /nfs/dbraw/zinc/55/38/57/585553857.db2.gz UUMOTSBRYHABBG-OCCSQVGLSA-N 0 0 237.387 3.770 20 0 BHADRN CCC[C@@H](C)[C@H]1CCCN1C(=O)C(C)=C(C)C ZINC000769319820 585553655 /nfs/dbraw/zinc/55/36/55/585553655.db2.gz UUMOTSBRYHABBG-TZMCWYRMSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC[C@@H]1[C@@H](C)CCC ZINC000769320003 585553657 /nfs/dbraw/zinc/55/36/57/585553657.db2.gz VOFBEPMVAJWOKK-LACBQNOSSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC[C@@H]1[C@@H](C)CCC ZINC000769320004 585553752 /nfs/dbraw/zinc/55/37/52/585553752.db2.gz VOFBEPMVAJWOKK-OIZKETEYSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC[C@@H]1[C@H](C)CCC ZINC000769320005 585553700 /nfs/dbraw/zinc/55/37/00/585553700.db2.gz VOFBEPMVAJWOKK-QGBLLJAOSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC[C@@H]1[C@H](C)CCC ZINC000769320006 585553871 /nfs/dbraw/zinc/55/38/71/585553871.db2.gz VOFBEPMVAJWOKK-XWJOTYRJSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC[C@H]1CCCCC ZINC000769320039 585553843 /nfs/dbraw/zinc/55/38/43/585553843.db2.gz WUJIBKNVQMENLM-KADHNRKRSA-N 0 0 237.387 3.914 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC[C@H]1CCCCC ZINC000769320040 585553865 /nfs/dbraw/zinc/55/38/65/585553865.db2.gz WUJIBKNVQMENLM-RNQWEJQRSA-N 0 0 237.387 3.914 20 0 BHADRN CC/C=C(\C)C(=O)N1CCC[C@@H]1CCCCC ZINC000769320041 585553846 /nfs/dbraw/zinc/55/38/46/585553846.db2.gz WUJIBKNVQMENLM-SSUFTNFISA-N 0 0 237.387 3.914 20 0 BHADRN CC/C=C(/C)C(=O)N1CCC[C@@H]1CCCCC ZINC000769320042 585553830 /nfs/dbraw/zinc/55/38/30/585553830.db2.gz WUJIBKNVQMENLM-XXYUJHKVSA-N 0 0 237.387 3.914 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@H]1CCC(C)C ZINC000769320327 585553738 /nfs/dbraw/zinc/55/37/38/585553738.db2.gz ZFMOIIJKMCDVNJ-AWEZNQCLSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC[C@@H]1CCC(C)C ZINC000769320328 585553870 /nfs/dbraw/zinc/55/38/70/585553870.db2.gz ZFMOIIJKMCDVNJ-CQSZACIVSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C(=O)N[C@@H]1CC2CCC1CC2)=C1CCCC1 ZINC000769334474 585554185 /nfs/dbraw/zinc/55/41/85/585554185.db2.gz HDKLJHQHSGCZRP-PESDSKBTSA-N 0 0 247.382 3.572 20 0 BHADRN CC(C(=O)N[C@H]1CC2CCC1CC2)=C1CCCC1 ZINC000769334475 585554318 /nfs/dbraw/zinc/55/43/18/585554318.db2.gz HDKLJHQHSGCZRP-ZALBZXLWSA-N 0 0 247.382 3.572 20 0 BHADRN C/C=C(/C=C\C(=O)N[C@@H]1CC2CCC1CC2)CC ZINC000769335389 585554237 /nfs/dbraw/zinc/55/42/37/585554237.db2.gz PXXWSZVRRAXQEP-CZJPHFLHSA-N 0 0 247.382 3.594 20 0 BHADRN C/C=C(/C=C\C(=O)N[C@H]1CC2CCC1CC2)CC ZINC000769335390 585554304 /nfs/dbraw/zinc/55/43/04/585554304.db2.gz PXXWSZVRRAXQEP-DFEIJUCPSA-N 0 0 247.382 3.594 20 0 BHADRN C/C=C(/C=C/C(=O)N[C@@H]1CC2CCC1CC2)CC ZINC000769335392 585554313 /nfs/dbraw/zinc/55/43/13/585554313.db2.gz PXXWSZVRRAXQEP-QIHBRODESA-N 0 0 247.382 3.594 20 0 BHADRN C/C=C(/C=C/C(=O)N[C@H]1CC2CCC1CC2)CC ZINC000769335393 585554165 /nfs/dbraw/zinc/55/41/65/585554165.db2.gz PXXWSZVRRAXQEP-YWTOPDSGSA-N 0 0 247.382 3.594 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@H]1CCC[C@H]1C ZINC000769353789 585554450 /nfs/dbraw/zinc/55/44/50/585554450.db2.gz IWDZKLCUPOCZEB-HZSPNIEDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000769353809 585554617 /nfs/dbraw/zinc/55/46/17/585554617.db2.gz IWDZKLCUPOCZEB-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@H]1CCC[C@@H]1C ZINC000769353810 585554631 /nfs/dbraw/zinc/55/46/31/585554631.db2.gz IWDZKLCUPOCZEB-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1C ZINC000769353812 585554506 /nfs/dbraw/zinc/55/45/06/585554506.db2.gz IWDZKLCUPOCZEB-RDBSUJKOSA-N 0 0 239.403 3.898 20 0 BHADRN C[C@H]1C[C@@H]1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000769367720 585554479 /nfs/dbraw/zinc/55/44/79/585554479.db2.gz DJTITAKNLAJLHR-FZMZJTMJSA-N 0 0 245.366 3.603 20 0 BHADRN Cc1ccc(N(C)C(=O)C[C@@H]2CCC[C@@H]2C)cc1 ZINC000769370685 585554906 /nfs/dbraw/zinc/55/49/06/585554906.db2.gz SZOHGBZPYLKLFW-KBPBESRZSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccc(N(C)C(=O)C[C@@H]2CCC[C@H]2C)cc1 ZINC000769370686 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249.354 3.612 20 0 BHADRN CC[C@H](C)N(OC)C(=O)c1ccc(C(C)C)cc1 ZINC000769448256 585556628 /nfs/dbraw/zinc/55/66/28/585556628.db2.gz RRIYBGGWBAINAX-LBPRGKRZSA-N 0 0 249.354 3.612 20 0 BHADRN CC[C@H]1CCCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000769457897 585557559 /nfs/dbraw/zinc/55/75/59/585557559.db2.gz RASIARBDQHDGJP-AWEZNQCLSA-N 0 0 248.370 3.707 20 0 BHADRN CC[C@@H]1CCCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000769457899 585557699 /nfs/dbraw/zinc/55/76/99/585557699.db2.gz RASIARBDQHDGJP-CQSZACIVSA-N 0 0 248.370 3.707 20 0 BHADRN Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccoc2)cc1 ZINC000769462609 585557473 /nfs/dbraw/zinc/55/74/73/585557473.db2.gz ISLJYFOSEIZOMC-AWEZNQCLSA-N 0 0 243.350 3.651 20 0 BHADRN Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccoc2)cc1 ZINC000769462611 585557401 /nfs/dbraw/zinc/55/74/01/585557401.db2.gz ISLJYFOSEIZOMC-CQSZACIVSA-N 0 0 243.350 3.651 20 0 BHADRN CC[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC000769463940 585557637 /nfs/dbraw/zinc/55/76/37/585557637.db2.gz UQSMBTYOTGGJSC-GFCCVEGCSA-N 0 0 248.370 3.564 20 0 BHADRN CC[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC000769463941 585557666 /nfs/dbraw/zinc/55/76/66/585557666.db2.gz UQSMBTYOTGGJSC-LBPRGKRZSA-N 0 0 248.370 3.564 20 0 BHADRN Cc1nc(S[C@@H](C)C(F)(F)F)sc1C ZINC000769470911 585558076 /nfs/dbraw/zinc/55/80/76/585558076.db2.gz UGFTYSPMNFIKBY-LURJTMIESA-N 0 0 241.303 3.803 20 0 BHADRN Cc1nc(S[C@H](C)C(F)(F)F)sc1C ZINC000769470912 585557827 /nfs/dbraw/zinc/55/78/27/585557827.db2.gz UGFTYSPMNFIKBY-ZCFIWIBFSA-N 0 0 241.303 3.803 20 0 BHADRN CCc1ccc(NC2CC(C(F)F)C2)cc1F ZINC000769472054 585557977 /nfs/dbraw/zinc/55/79/77/585557977.db2.gz AWAHNJLRCDMGIG-UHFFFAOYSA-N 0 0 243.272 3.844 20 0 BHADRN CCOc1cccc(NC2CC(C(F)F)C2)c1 ZINC000769478752 585558227 /nfs/dbraw/zinc/55/82/27/585558227.db2.gz VZJMHBIINNCUDT-UHFFFAOYSA-N 0 0 241.281 3.541 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc(OC)c(C2CC2)c1 ZINC000769480754 585557850 /nfs/dbraw/zinc/55/78/50/585557850.db2.gz JKTDBKOAKWGZOM-JTQLQIEISA-N 0 0 248.322 3.528 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc(OC)c(C2CC2)c1 ZINC000769480761 585557784 /nfs/dbraw/zinc/55/77/84/585557784.db2.gz JKTDBKOAKWGZOM-SNVBAGLBSA-N 0 0 248.322 3.528 20 0 BHADRN CCCCOC(=O)c1ccc(OC)c(C2CC2)c1 ZINC000769480822 585558202 /nfs/dbraw/zinc/55/82/02/585558202.db2.gz JVFHBWQQRIZLKL-UHFFFAOYSA-N 0 0 248.322 3.530 20 0 BHADRN C[C@@H](CCC1CC1)NC(=O)/C=C\C1CCCCC1 ZINC000769533549 585559156 /nfs/dbraw/zinc/55/91/56/585559156.db2.gz WVACBAKCSKONIU-HHQWOOOKSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)/C=C/C1CCCCC1 ZINC000769533550 585558936 /nfs/dbraw/zinc/55/89/36/585558936.db2.gz WVACBAKCSKONIU-XZHRJIJLSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@H](CCC1CC1)NC(=O)/C=C\C1CCCCC1 ZINC000769533551 584967153 /nfs/dbraw/zinc/96/71/53/584967153.db2.gz WVACBAKCSKONIU-YLGBQOPLSA-N 0 0 249.398 3.818 20 0 BHADRN C[C@@H](CCC1CC1)NC(=O)/C=C/C1CCCCC1 ZINC000769533553 584967357 /nfs/dbraw/zinc/96/73/57/584967357.db2.gz WVACBAKCSKONIU-YLSINNKHSA-N 0 0 249.398 3.818 20 0 BHADRN FC(F)C1CC(Nc2ccc3ncccc3c2)C1 ZINC000769541094 585558955 /nfs/dbraw/zinc/55/89/55/585558955.db2.gz BWHMYPRDXXPJIS-UHFFFAOYSA-N 0 0 248.276 3.690 20 0 BHADRN FC(F)C1CC(Nc2cccc3ccncc32)C1 ZINC000769542949 585559285 /nfs/dbraw/zinc/55/92/85/585559285.db2.gz LJFXFMNGFDHLLF-UHFFFAOYSA-N 0 0 248.276 3.690 20 0 BHADRN FC(F)C1CC(Nc2cccc3ncccc32)C1 ZINC000769544203 585559189 /nfs/dbraw/zinc/55/91/89/585559189.db2.gz RJLHPNNGCKPMJH-UHFFFAOYSA-N 0 0 248.276 3.690 20 0 BHADRN CC(C)c1ccccc1OC(=O)Cc1ccco1 ZINC000769616454 585560639 /nfs/dbraw/zinc/56/06/39/585560639.db2.gz OCMRNXROJFRLGK-UHFFFAOYSA-N 0 0 244.290 3.551 20 0 BHADRN CC(C)c1ccc(OC(=O)Cc2ccco2)cc1 ZINC000769619323 585560622 /nfs/dbraw/zinc/56/06/22/585560622.db2.gz QZTXDNMPJVEBSK-UHFFFAOYSA-N 0 0 244.290 3.551 20 0 BHADRN CC(C(=O)N[C@H](C)CCC1CC1)=C1CCCC1 ZINC000769645011 585560846 /nfs/dbraw/zinc/56/08/46/585560846.db2.gz KWBKTSYBZPMYHP-LLVKDONJSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@@H](C)CCC1CC1)=C1CCCC1 ZINC000769645035 585560862 /nfs/dbraw/zinc/56/08/62/585560862.db2.gz KWBKTSYBZPMYHP-NSHDSACASA-N 0 0 235.371 3.572 20 0 BHADRN CC[C@H](C)N(Cc1ccc(Cl)cc1)OC ZINC000769655419 585561301 /nfs/dbraw/zinc/56/13/01/585561301.db2.gz FDZTXRPDRIORFK-JTQLQIEISA-N 0 0 227.735 3.502 20 0 BHADRN CC[C@@H](C)N(Cc1ccc(Cl)cc1)OC ZINC000769655420 585561136 /nfs/dbraw/zinc/56/11/36/585561136.db2.gz FDZTXRPDRIORFK-SNVBAGLBSA-N 0 0 227.735 3.502 20 0 BHADRN CC[C@H](C)N(Cc1ccccc1Cl)OC ZINC000769656239 585561104 /nfs/dbraw/zinc/56/11/04/585561104.db2.gz PZCBJGJWTCWSHQ-JTQLQIEISA-N 0 0 227.735 3.502 20 0 BHADRN CC[C@@H](C)N(Cc1ccccc1Cl)OC ZINC000769656241 585561142 /nfs/dbraw/zinc/56/11/42/585561142.db2.gz PZCBJGJWTCWSHQ-SNVBAGLBSA-N 0 0 227.735 3.502 20 0 BHADRN O=C(/C=C/C1CCCCC1)N1CCCC12CCC2 ZINC000769659137 585561292 /nfs/dbraw/zinc/56/12/92/585561292.db2.gz XCZJHPXXNOXLKI-CMDGGOBGSA-N 0 0 247.382 3.668 20 0 BHADRN O=C(/C=C\C1CCCCC1)N1CCCC12CCC2 ZINC000769659139 585561260 /nfs/dbraw/zinc/56/12/60/585561260.db2.gz XCZJHPXXNOXLKI-HJWRWDBZSA-N 0 0 247.382 3.668 20 0 BHADRN CCC/C=C/C(=O)Nc1cc(C)c(OC)cc1C ZINC000769698587 585562091 /nfs/dbraw/zinc/56/20/91/585562091.db2.gz BXZGOHGHDMLNDP-BQYQJAHWSA-N 0 0 247.338 3.607 20 0 BHADRN CCC/C=C\C(=O)Nc1cc(C)c(OC)cc1C ZINC000769698594 585562126 /nfs/dbraw/zinc/56/21/26/585562126.db2.gz BXZGOHGHDMLNDP-FPLPWBNLSA-N 0 0 247.338 3.607 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccc(CC)c(C)c1 ZINC000769776642 585563440 /nfs/dbraw/zinc/56/34/40/585563440.db2.gz QDHUKLAJCNCUNJ-AQXDOAQYSA-N 0 0 229.323 3.628 20 0 BHADRN C/C=C/C=C/C(=O)Nc1ccc(CC)c(C)c1 ZINC000769776644 585563390 /nfs/dbraw/zinc/56/33/90/585563390.db2.gz QDHUKLAJCNCUNJ-GFGVWQOPSA-N 0 0 229.323 3.628 20 0 BHADRN CCCCCCSCC(=O)OC(C)(C)C ZINC000769847684 585565179 /nfs/dbraw/zinc/56/51/79/585565179.db2.gz XWCREBMJXJBBAT-UHFFFAOYSA-N 0 0 232.389 3.642 20 0 BHADRN C[C@@H](SC[C@@H]1CCCOC1)c1cccs1 ZINC000769853583 585565293 /nfs/dbraw/zinc/56/52/93/585565293.db2.gz WEEPRSQRTOBWAC-GHMZBOCLSA-N 0 0 242.409 3.969 20 0 BHADRN C[C@@H](SC[C@H]1CCCOC1)c1cccs1 ZINC000769853586 585565373 /nfs/dbraw/zinc/56/53/73/585565373.db2.gz WEEPRSQRTOBWAC-MNOVXSKESA-N 0 0 242.409 3.969 20 0 BHADRN C[C@H](SC[C@H]1CCCOC1)c1cccs1 ZINC000769853589 585565217 /nfs/dbraw/zinc/56/52/17/585565217.db2.gz WEEPRSQRTOBWAC-QWRGUYRKSA-N 0 0 242.409 3.969 20 0 BHADRN C[C@H](SC[C@@H]1CCCOC1)c1cccs1 ZINC000769853591 585565358 /nfs/dbraw/zinc/56/53/58/585565358.db2.gz WEEPRSQRTOBWAC-WDEREUQCSA-N 0 0 242.409 3.969 20 0 BHADRN CN(C/C=C\Cl)Cc1cc(Cl)ccc1F ZINC000769856340 585565221 /nfs/dbraw/zinc/56/52/21/585565221.db2.gz WHMDXKGWGCTTRY-DJWKRKHSSA-N 0 0 248.128 3.663 20 0 BHADRN CN(C/C=C/Cl)Cc1cc(Cl)ccc1F ZINC000769856341 585565186 /nfs/dbraw/zinc/56/51/86/585565186.db2.gz WHMDXKGWGCTTRY-GORDUTHDSA-N 0 0 248.128 3.663 20 0 BHADRN C[C@@H]1CCC[C@H](CNc2cnn(C)c2C2CC2)C1 ZINC000769922379 585566465 /nfs/dbraw/zinc/56/64/65/585566465.db2.gz BGGZLRGFKRWJBD-NEPJUHHUSA-N 0 0 247.386 3.536 20 0 BHADRN C[C@H]1CCC[C@@H](CNc2cnn(C)c2C2CC2)C1 ZINC000769922381 585566571 /nfs/dbraw/zinc/56/65/71/585566571.db2.gz BGGZLRGFKRWJBD-NWDGAFQWSA-N 0 0 247.386 3.536 20 0 BHADRN C[C@H]1CCC[C@H](CNc2cnn(C)c2C2CC2)C1 ZINC000769922383 585566461 /nfs/dbraw/zinc/56/64/61/585566461.db2.gz BGGZLRGFKRWJBD-RYUDHWBXSA-N 0 0 247.386 3.536 20 0 BHADRN C[C@@H]1CCC[C@@H](CNc2cnn(C)c2C2CC2)C1 ZINC000769922385 585566517 /nfs/dbraw/zinc/56/65/17/585566517.db2.gz BGGZLRGFKRWJBD-VXGBXAGGSA-N 0 0 247.386 3.536 20 0 BHADRN CC1CCC(CNc2cnn(C)c2C2CC2)CC1 ZINC000769923070 585566644 /nfs/dbraw/zinc/56/66/44/585566644.db2.gz KDVSDBPXOHYPNI-UHFFFAOYSA-N 0 0 247.386 3.536 20 0 BHADRN Cn1ncc(NCC2CCCCCC2)c1C1CC1 ZINC000769923078 585566759 /nfs/dbraw/zinc/56/67/59/585566759.db2.gz KKYREYBVQBNZHJ-UHFFFAOYSA-N 0 0 247.386 3.680 20 0 BHADRN C[C@H]1CCCC[C@H]1CNc1cnn(C)c1C1CC1 ZINC000769925472 585566677 /nfs/dbraw/zinc/56/66/77/585566677.db2.gz SCMILWVNZXNMOJ-AAEUAGOBSA-N 0 0 247.386 3.536 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CNc1cnn(C)c1C1CC1 ZINC000769925477 585566480 /nfs/dbraw/zinc/56/64/80/585566480.db2.gz SCMILWVNZXNMOJ-DGCLKSJQSA-N 0 0 247.386 3.536 20 0 BHADRN C[C@H]1CCCC[C@@H]1CNc1cnn(C)c1C1CC1 ZINC000769925482 585566742 /nfs/dbraw/zinc/56/67/42/585566742.db2.gz SCMILWVNZXNMOJ-WCQYABFASA-N 0 0 247.386 3.536 20 0 BHADRN C[C@@H]1CCCC[C@H]1CNc1cnn(C)c1C1CC1 ZINC000769925486 643527356 /nfs/dbraw/zinc/52/73/56/643527356.db2.gz SCMILWVNZXNMOJ-YPMHNXCESA-N 0 0 247.386 3.536 20 0 BHADRN Cc1ccc(NCc2cnc3ccccc3c2)cn1 ZINC000769927243 585566652 /nfs/dbraw/zinc/56/66/52/585566652.db2.gz GSCSMOBBINXBMD-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccc(NCc2nccc3ccccc32)cn1 ZINC000769928119 585566744 /nfs/dbraw/zinc/56/67/44/585566744.db2.gz LMMCWBJAWVJGGX-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN COc1cccc(NCc2cc(C)oc2C)c1F ZINC000769929641 585566527 /nfs/dbraw/zinc/56/65/27/585566527.db2.gz JOYZXTQQBWFWRD-UHFFFAOYSA-N 0 0 249.285 3.656 20 0 BHADRN CCC(=O)O[C@H](C)CCSc1ccccc1 ZINC000769953731 585567069 /nfs/dbraw/zinc/56/70/69/585567069.db2.gz IMXMZOIPPWWPKZ-LLVKDONJSA-N 0 0 238.352 3.511 20 0 BHADRN CCC(=O)O[C@@H](C)CCSc1ccccc1 ZINC000769953732 585567079 /nfs/dbraw/zinc/56/70/79/585567079.db2.gz IMXMZOIPPWWPKZ-NSHDSACASA-N 0 0 238.352 3.511 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cnn(C)c2C2CC2)[C@@H](C)C1 ZINC000769978347 585568337 /nfs/dbraw/zinc/56/83/37/585568337.db2.gz CBPDTWXETUZEOP-MDZLAQPJSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cnn(C)c2C2CC2)[C@H](C)C1 ZINC000769978349 585568287 /nfs/dbraw/zinc/56/82/87/585568287.db2.gz CBPDTWXETUZEOP-NQBHXWOUSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cnn(C)c2C2CC2)[C@@H](C)C1 ZINC000769978352 585568161 /nfs/dbraw/zinc/56/81/61/585568161.db2.gz CBPDTWXETUZEOP-NTZNESFSSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cnn(C)c2C2CC2)[C@H](C)C1 ZINC000769978354 643532539 /nfs/dbraw/zinc/53/25/39/643532539.db2.gz CBPDTWXETUZEOP-WZRBSPASSA-N 0 0 247.386 3.534 20 0 BHADRN CCC1CCC(Nc2cnn(C)c2C2CC2)CC1 ZINC000769979107 585568486 /nfs/dbraw/zinc/56/84/86/585568486.db2.gz FPRZOHPBCIFBOH-UHFFFAOYSA-N 0 0 247.386 3.678 20 0 BHADRN CCC[C@H](C)[C@H](CC)Nc1cnn(C)c1C1CC1 ZINC000769979543 585568191 /nfs/dbraw/zinc/56/81/91/585568191.db2.gz GZAAVMWRDWSFEU-AAEUAGOBSA-N 0 0 249.402 3.924 20 0 BHADRN CCC[C@@H](C)[C@@H](CC)Nc1cnn(C)c1C1CC1 ZINC000769979544 585568148 /nfs/dbraw/zinc/56/81/48/585568148.db2.gz GZAAVMWRDWSFEU-DGCLKSJQSA-N 0 0 249.402 3.924 20 0 BHADRN CCC[C@H](C)[C@@H](CC)Nc1cnn(C)c1C1CC1 ZINC000769979545 585568218 /nfs/dbraw/zinc/56/82/18/585568218.db2.gz GZAAVMWRDWSFEU-WCQYABFASA-N 0 0 249.402 3.924 20 0 BHADRN CCC[C@@H](C)[C@H](CC)Nc1cnn(C)c1C1CC1 ZINC000769979546 585568472 /nfs/dbraw/zinc/56/84/72/585568472.db2.gz GZAAVMWRDWSFEU-YPMHNXCESA-N 0 0 249.402 3.924 20 0 BHADRN COc1cccc(N[C@@H](C)CCC2CC2)c1F ZINC000769979614 585568273 /nfs/dbraw/zinc/56/82/73/585568273.db2.gz GNOLVKHMFFXBQN-JTQLQIEISA-N 0 0 237.318 3.825 20 0 BHADRN COc1cccc(N[C@H](C)CCC2CC2)c1F ZINC000769979615 585568140 /nfs/dbraw/zinc/56/81/40/585568140.db2.gz GNOLVKHMFFXBQN-SNVBAGLBSA-N 0 0 237.318 3.825 20 0 BHADRN CCCC[C@@H](CC)Nc1cnn(C)c1C1CC1 ZINC000769979931 585568190 /nfs/dbraw/zinc/56/81/90/585568190.db2.gz IVAVHTHEDIAORF-GFCCVEGCSA-N 0 0 235.375 3.678 20 0 BHADRN CCCC[C@H](CC)Nc1cnn(C)c1C1CC1 ZINC000769979932 585568227 /nfs/dbraw/zinc/56/82/27/585568227.db2.gz IVAVHTHEDIAORF-LBPRGKRZSA-N 0 0 235.375 3.678 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2cnn(C)c2C2CC2)[C@H]1C ZINC000769979942 585568289 /nfs/dbraw/zinc/56/82/89/585568289.db2.gz JAGSAWRVRSXETI-MDZLAQPJSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2cnn(C)c2C2CC2)[C@@H]1C ZINC000769979943 585568088 /nfs/dbraw/zinc/56/80/88/585568088.db2.gz JAGSAWRVRSXETI-NQBHXWOUSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CCC[C@@H](Nc2cnn(C)c2C2CC2)[C@H]1C ZINC000769979944 585568488 /nfs/dbraw/zinc/56/84/88/585568488.db2.gz JAGSAWRVRSXETI-NTZNESFSSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CCC[C@H](Nc2cnn(C)c2C2CC2)[C@@H]1C ZINC000769979945 585568320 /nfs/dbraw/zinc/56/83/20/585568320.db2.gz JAGSAWRVRSXETI-WZRBSPASSA-N 0 0 247.386 3.534 20 0 BHADRN CC(C)CCC[C@@H](C)Nc1cnn(C)c1C1CC1 ZINC000769980594 585568546 /nfs/dbraw/zinc/56/85/46/585568546.db2.gz PGTHBZUZSUJQDA-GFCCVEGCSA-N 0 0 249.402 3.924 20 0 BHADRN CC(C)CCC[C@H](C)Nc1cnn(C)c1C1CC1 ZINC000769980597 585568733 /nfs/dbraw/zinc/56/87/33/585568733.db2.gz PGTHBZUZSUJQDA-LBPRGKRZSA-N 0 0 249.402 3.924 20 0 BHADRN CC[C@H](C)C[C@H](CC)Nc1cnn(C)c1C1CC1 ZINC000769982457 585568504 /nfs/dbraw/zinc/56/85/04/585568504.db2.gz WNGBDODNTLVQFC-AAEUAGOBSA-N 0 0 249.402 3.924 20 0 BHADRN CC[C@@H](C)C[C@@H](CC)Nc1cnn(C)c1C1CC1 ZINC000769982458 585568750 /nfs/dbraw/zinc/56/87/50/585568750.db2.gz WNGBDODNTLVQFC-DGCLKSJQSA-N 0 0 249.402 3.924 20 0 BHADRN CC[C@H](C[C@@H](C)CC)Nc1cnn(C)c1C1CC1 ZINC000769982459 585568571 /nfs/dbraw/zinc/56/85/71/585568571.db2.gz WNGBDODNTLVQFC-WCQYABFASA-N 0 0 249.402 3.924 20 0 BHADRN CC[C@@H](C)C[C@H](CC)Nc1cnn(C)c1C1CC1 ZINC000769982460 585568610 /nfs/dbraw/zinc/56/86/10/585568610.db2.gz WNGBDODNTLVQFC-YPMHNXCESA-N 0 0 249.402 3.924 20 0 BHADRN Cn1ncc(NC2CCC(C)(C)CC2)c1C1CC1 ZINC000769982498 585568503 /nfs/dbraw/zinc/56/85/03/585568503.db2.gz XOAKGSJKMNROQT-UHFFFAOYSA-N 0 0 247.386 3.678 20 0 BHADRN C[C@@H](Nc1cnn(C)c1C1CC1)c1ccsc1 ZINC000769982540 585568698 /nfs/dbraw/zinc/56/86/98/585568698.db2.gz YJMWEZSDRRTKFN-SECBINFHSA-N 0 0 247.367 3.532 20 0 BHADRN C[C@H](Nc1cnn(C)c1C1CC1)c1ccsc1 ZINC000769982541 585568705 /nfs/dbraw/zinc/56/87/05/585568705.db2.gz YJMWEZSDRRTKFN-VIFPVBQESA-N 0 0 247.367 3.532 20 0 BHADRN C[C@H](CC1CCCC1)Nc1cnn(C)c1C1CC1 ZINC000769983169 585568570 /nfs/dbraw/zinc/56/85/70/585568570.db2.gz ZXWHPXSTQLMGFN-LLVKDONJSA-N 0 0 247.386 3.678 20 0 BHADRN C[C@@H](CC1CCCC1)Nc1cnn(C)c1C1CC1 ZINC000769983174 585568542 /nfs/dbraw/zinc/56/85/42/585568542.db2.gz ZXWHPXSTQLMGFN-NSHDSACASA-N 0 0 247.386 3.678 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1cnn(C)c1C1CC1 ZINC000769985668 585568637 /nfs/dbraw/zinc/56/86/37/585568637.db2.gz DDRRVXXIXMSWMO-GFCCVEGCSA-N 0 0 247.386 3.844 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1cnn(C)c1C1CC1 ZINC000769985670 585568667 /nfs/dbraw/zinc/56/86/67/585568667.db2.gz DDRRVXXIXMSWMO-LBPRGKRZSA-N 0 0 247.386 3.844 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cnn(C)c2C2CC2)C[C@@H]1C ZINC000769985858 585568540 /nfs/dbraw/zinc/56/85/40/585568540.db2.gz FHYZWKROZSBTFO-MDZLAQPJSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cnn(C)c2C2CC2)C[C@H]1C ZINC000769985859 585568654 /nfs/dbraw/zinc/56/86/54/585568654.db2.gz FHYZWKROZSBTFO-NQBHXWOUSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cnn(C)c2C2CC2)C[C@@H]1C ZINC000769985863 585568600 /nfs/dbraw/zinc/56/86/00/585568600.db2.gz FHYZWKROZSBTFO-NTZNESFSSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cnn(C)c2C2CC2)C[C@H]1C ZINC000769985866 585568533 /nfs/dbraw/zinc/56/85/33/585568533.db2.gz FHYZWKROZSBTFO-WZRBSPASSA-N 0 0 247.386 3.534 20 0 BHADRN Cn1ncc(N[C@@H]2CCCC(C)(C)C2)c1C1CC1 ZINC000769987061 585568648 /nfs/dbraw/zinc/56/86/48/585568648.db2.gz JCJISVOXXNLDIB-GFCCVEGCSA-N 0 0 247.386 3.678 20 0 BHADRN Cn1ncc(N[C@H]2CCCC(C)(C)C2)c1C1CC1 ZINC000769987063 585568697 /nfs/dbraw/zinc/56/86/97/585568697.db2.gz JCJISVOXXNLDIB-LBPRGKRZSA-N 0 0 247.386 3.678 20 0 BHADRN CC(C)CC[C@@H](C)Nc1cnn(C)c1C1CC1 ZINC000769987066 585568619 /nfs/dbraw/zinc/56/86/19/585568619.db2.gz JEJOVBWCXZVUOY-LLVKDONJSA-N 0 0 235.375 3.534 20 0 BHADRN CC(C)CC[C@H](C)Nc1cnn(C)c1C1CC1 ZINC000769987068 585568609 /nfs/dbraw/zinc/56/86/09/585568609.db2.gz JEJOVBWCXZVUOY-NSHDSACASA-N 0 0 235.375 3.534 20 0 BHADRN C[C@@H](Nc1cnn(C)c1C1CC1)c1cccs1 ZINC000769987852 585568703 /nfs/dbraw/zinc/56/87/03/585568703.db2.gz KTOXEHLEWGLFTQ-SECBINFHSA-N 0 0 247.367 3.532 20 0 BHADRN C[C@H](Nc1cnn(C)c1C1CC1)c1cccs1 ZINC000769987853 585568525 /nfs/dbraw/zinc/56/85/25/585568525.db2.gz KTOXEHLEWGLFTQ-VIFPVBQESA-N 0 0 247.367 3.532 20 0 BHADRN CC[C@H]1CCC[C@H](Nc2cnn(C)c2C2CC2)C1 ZINC000769987906 585568694 /nfs/dbraw/zinc/56/86/94/585568694.db2.gz LYHBBWZOBDLMGA-AAEUAGOBSA-N 0 0 247.386 3.678 20 0 BHADRN CC[C@@H]1CCC[C@@H](Nc2cnn(C)c2C2CC2)C1 ZINC000769987908 585568561 /nfs/dbraw/zinc/56/85/61/585568561.db2.gz LYHBBWZOBDLMGA-DGCLKSJQSA-N 0 0 247.386 3.678 20 0 BHADRN CC[C@H]1CCC[C@@H](Nc2cnn(C)c2C2CC2)C1 ZINC000769987910 585568706 /nfs/dbraw/zinc/56/87/06/585568706.db2.gz LYHBBWZOBDLMGA-WCQYABFASA-N 0 0 247.386 3.678 20 0 BHADRN CC[C@@H]1CCC[C@H](Nc2cnn(C)c2C2CC2)C1 ZINC000769987912 585568541 /nfs/dbraw/zinc/56/85/41/585568541.db2.gz LYHBBWZOBDLMGA-YPMHNXCESA-N 0 0 247.386 3.678 20 0 BHADRN Cn1ncc(NC2CCCCCCC2)c1C1CC1 ZINC000769987913 585568514 /nfs/dbraw/zinc/56/85/14/585568514.db2.gz MDYXFDBYPBOBBM-UHFFFAOYSA-N 0 0 247.386 3.822 20 0 BHADRN C[C@H]1CC(Nc2cnn(C)c2C2CC2)C[C@H](C)C1 ZINC000769989044 585568720 /nfs/dbraw/zinc/56/87/20/585568720.db2.gz MEJLZFIPJQHAHY-GHMZBOCLSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@H]1C[C@H](Nc2cnn(C)c2C2CC2)C[C@@H](C)C1 ZINC000769989050 585568728 /nfs/dbraw/zinc/56/87/28/585568728.db2.gz MEJLZFIPJQHAHY-PJXYFTJBSA-N 0 0 247.386 3.534 20 0 BHADRN C[C@@H]1CC(Nc2cnn(C)c2C2CC2)C[C@@H](C)C1 ZINC000769989052 585568672 /nfs/dbraw/zinc/56/86/72/585568672.db2.gz MEJLZFIPJQHAHY-QWRGUYRKSA-N 0 0 247.386 3.534 20 0 BHADRN CCCC(CCC)Nc1cnn(C)c1C1CC1 ZINC000769989248 585568778 /nfs/dbraw/zinc/56/87/78/585568778.db2.gz NVABBAYBYCYXMT-UHFFFAOYSA-N 0 0 235.375 3.678 20 0 BHADRN C[C@@H](Nc1cnn(C)c1C1CC1)C1CCCCC1 ZINC000769990984 585568763 /nfs/dbraw/zinc/56/87/63/585568763.db2.gz ROAPWYQVIJRMCO-LLVKDONJSA-N 0 0 247.386 3.678 20 0 BHADRN C[C@H](Nc1cnn(C)c1C1CC1)C1CCCCC1 ZINC000769990985 585568877 /nfs/dbraw/zinc/56/88/77/585568877.db2.gz ROAPWYQVIJRMCO-NSHDSACASA-N 0 0 247.386 3.678 20 0 BHADRN CCCCC[C@@H](C)Nc1cnn(C)c1C1CC1 ZINC000769993472 585568806 /nfs/dbraw/zinc/56/88/06/585568806.db2.gz WXOVCNOMFZIOBR-LLVKDONJSA-N 0 0 235.375 3.678 20 0 BHADRN CCCCC[C@H](C)Nc1cnn(C)c1C1CC1 ZINC000769993475 585568889 /nfs/dbraw/zinc/56/88/89/585568889.db2.gz WXOVCNOMFZIOBR-NSHDSACASA-N 0 0 235.375 3.678 20 0 BHADRN COc1ccc(N[C@H](C)C(C)C)c2ncccc12 ZINC000770001337 585569135 /nfs/dbraw/zinc/56/91/35/585569135.db2.gz GBVWBFIVTKKLQZ-LLVKDONJSA-N 0 0 244.338 3.700 20 0 BHADRN COc1ccc(N[C@@H](C)C(C)C)c2ncccc12 ZINC000770001338 585569193 /nfs/dbraw/zinc/56/91/93/585569193.db2.gz GBVWBFIVTKKLQZ-NSHDSACASA-N 0 0 244.338 3.700 20 0 BHADRN FCCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770001798 585569088 /nfs/dbraw/zinc/56/90/88/585569088.db2.gz SCYSVWFYVMHBFF-CYBMUJFWSA-N 0 0 241.737 3.837 20 0 BHADRN FCCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770001802 585569124 /nfs/dbraw/zinc/56/91/24/585569124.db2.gz SCYSVWFYVMHBFF-ZDUSSCGKSA-N 0 0 241.737 3.837 20 0 BHADRN CCC(CC)Nc1ccc(OC)c2cccnc12 ZINC000770002933 585569008 /nfs/dbraw/zinc/56/90/08/585569008.db2.gz KPWXUWXDESLXPR-UHFFFAOYSA-N 0 0 244.338 3.844 20 0 BHADRN COc1ccc(NC2CCCC2)c2ncccc12 ZINC000770004604 585569149 /nfs/dbraw/zinc/56/91/49/585569149.db2.gz QNTWYIDFLSIVOA-UHFFFAOYSA-N 0 0 242.322 3.598 20 0 BHADRN CCC[C@@H](C)Nc1ccc(OC)c2cccnc12 ZINC000770006594 585569208 /nfs/dbraw/zinc/56/92/08/585569208.db2.gz YMDAHIDMEUYCBL-LLVKDONJSA-N 0 0 244.338 3.844 20 0 BHADRN CCC[C@H](C)Nc1ccc(OC)c2cccnc12 ZINC000770006595 585569159 /nfs/dbraw/zinc/56/91/59/585569159.db2.gz YMDAHIDMEUYCBL-NSHDSACASA-N 0 0 244.338 3.844 20 0 BHADRN C/C=C(/C=C/C(=O)N(CC)[C@H](C)C(C)C)CC ZINC000770080480 585570627 /nfs/dbraw/zinc/57/06/27/585570627.db2.gz ZQULCPUHVIUOBE-CKXFGEHCSA-N 0 0 237.387 3.792 20 0 BHADRN C/C=C(/C=C\C(=O)N(CC)[C@H](C)C(C)C)CC ZINC000770080482 585570783 /nfs/dbraw/zinc/57/07/83/585570783.db2.gz ZQULCPUHVIUOBE-VRQLRJGLSA-N 0 0 237.387 3.792 20 0 BHADRN C/C=C(/C=C/C(=O)N(CC)[C@@H](C)C(C)C)CC ZINC000770080485 585570769 /nfs/dbraw/zinc/57/07/69/585570769.db2.gz ZQULCPUHVIUOBE-WLHZLNIUSA-N 0 0 237.387 3.792 20 0 BHADRN C/C=C(/C=C\C(=O)N(CC)[C@@H](C)C(C)C)CC ZINC000770080487 585570736 /nfs/dbraw/zinc/57/07/36/585570736.db2.gz ZQULCPUHVIUOBE-XIAIHCDWSA-N 0 0 237.387 3.792 20 0 BHADRN Cc1ccc(COC(=O)C2CCCC2)c(C)c1 ZINC000770109805 585570915 /nfs/dbraw/zinc/57/09/15/585570915.db2.gz DHFUJOZKWJMVHD-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN CCCCC(=O)OCc1ccc(C)cc1C ZINC000770113231 585570859 /nfs/dbraw/zinc/57/08/59/585570859.db2.gz STILMKNIJPIPGJ-UHFFFAOYSA-N 0 0 220.312 3.537 20 0 BHADRN CCC1(C(=O)OCc2ccc(C)cc2C)CC1 ZINC000770115551 585570960 /nfs/dbraw/zinc/57/09/60/585570960.db2.gz PBMYBKUJJPRPPR-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN Cc1ccc(COC(=O)CCC2CC2)c(C)c1 ZINC000770115576 585570847 /nfs/dbraw/zinc/57/08/47/585570847.db2.gz PMSKWHTZIJKWDI-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN Cc1ccc(COC(=O)CC2CCC2)c(C)c1 ZINC000770116743 643533816 /nfs/dbraw/zinc/53/38/16/643533816.db2.gz YHEHPPSGIXSCOE-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN Cc1ccc(COC(=O)[C@H]2CC=CCC2)c(C)c1 ZINC000770117211 585570991 /nfs/dbraw/zinc/57/09/91/585570991.db2.gz BLOVFMIXDDIDSN-AWEZNQCLSA-N 0 0 244.334 3.703 20 0 BHADRN Cc1ccc(COC(=O)[C@@H]2CC=CCC2)c(C)c1 ZINC000770117215 585570900 /nfs/dbraw/zinc/57/09/00/585570900.db2.gz BLOVFMIXDDIDSN-CQSZACIVSA-N 0 0 244.334 3.703 20 0 BHADRN Cc1ccc(COC(=O)C2(C)CCC2)c(C)c1 ZINC000770117417 585570813 /nfs/dbraw/zinc/57/08/13/585570813.db2.gz FNHKWXIKIOFPJE-UHFFFAOYSA-N 0 0 232.323 3.537 20 0 BHADRN Cc1ccc(COC(=O)[C@@H]2CC23CCC3)c(C)c1 ZINC000770119918 585570905 /nfs/dbraw/zinc/57/09/05/585570905.db2.gz ZXWUIMFFSGCOKQ-AWEZNQCLSA-N 0 0 244.334 3.537 20 0 BHADRN Cc1ccc(COC(=O)[C@H]2CC23CCC3)c(C)c1 ZINC000770119919 585570965 /nfs/dbraw/zinc/57/09/65/585570965.db2.gz ZXWUIMFFSGCOKQ-CQSZACIVSA-N 0 0 244.334 3.537 20 0 BHADRN CCCCCCNC(=O)c1ccccc1CC ZINC000770142924 585571144 /nfs/dbraw/zinc/57/11/44/585571144.db2.gz IODKWIOMORMEHW-UHFFFAOYSA-N 0 0 233.355 3.559 20 0 BHADRN C/C=C(/C)C(=O)Nc1c(C)cccc1SC ZINC000770192058 584976086 /nfs/dbraw/zinc/97/60/86/584976086.db2.gz ACSWYHQCJGVJTK-UITAMQMPSA-N 0 0 235.352 3.622 20 0 BHADRN C/C=C(\C)C(=O)Nc1c(C)cccc1SC ZINC000770192059 584976109 /nfs/dbraw/zinc/97/61/09/584976109.db2.gz ACSWYHQCJGVJTK-WEVVVXLNSA-N 0 0 235.352 3.622 20 0 BHADRN Cc1ccc(OCCSCC(C)C)cc1 ZINC000770237918 585572217 /nfs/dbraw/zinc/57/22/17/585572217.db2.gz VRXIXQASWVVZRG-UHFFFAOYSA-N 0 0 224.369 3.763 20 0 BHADRN CC(C)=CC(=O)NCC1CCC(C(C)C)CC1 ZINC000770238507 585572152 /nfs/dbraw/zinc/57/21/52/585572152.db2.gz UBZWZYUNPQYBHR-UHFFFAOYSA-N 0 0 237.387 3.531 20 0 BHADRN CCC/C=C/C(=O)Nc1ccc(CC)c(C)c1 ZINC000770266876 585572255 /nfs/dbraw/zinc/57/22/55/585572255.db2.gz FHCBKWWAFUAMRC-BQYQJAHWSA-N 0 0 231.339 3.852 20 0 BHADRN CCC/C=C\C(=O)Nc1ccc(CC)c(C)c1 ZINC000770266879 585572233 /nfs/dbraw/zinc/57/22/33/585572233.db2.gz FHCBKWWAFUAMRC-FPLPWBNLSA-N 0 0 231.339 3.852 20 0 BHADRN CCc1ccc(NC(=O)C=C2CCCC2)cc1C ZINC000770266987 585572544 /nfs/dbraw/zinc/57/25/44/585572544.db2.gz GNOYHFGQPPONAV-UHFFFAOYSA-N 0 0 243.350 3.996 20 0 BHADRN CCc1ccc(NC(=O)C=C2CCC2)cc1C ZINC000770267528 585572351 /nfs/dbraw/zinc/57/23/51/585572351.db2.gz ISQFOVZWJSNYIM-UHFFFAOYSA-N 0 0 229.323 3.606 20 0 BHADRN CCc1ccc(NC(=O)/C=C(/C)C2CC2)cc1C ZINC000770267572 585572499 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AGTLGBJESVCJPU-LBPRGKRZSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCCC(C)(C)C(=O)Nc1ccc(C)nc1 ZINC000770323952 585572739 /nfs/dbraw/zinc/57/27/39/585572739.db2.gz JAXCJVIIFJSROH-UHFFFAOYSA-N 0 0 248.370 3.935 20 0 BHADRN Cc1ccc(NC(=O)C2CCCCCCC2)cn1 ZINC000770325431 585572900 /nfs/dbraw/zinc/57/29/00/585572900.db2.gz SGXAIVXADDFUEL-UHFFFAOYSA-N 0 0 246.354 3.689 20 0 BHADRN C/C=C(\C)C(=O)NCC1CCC(C(C)C)CC1 ZINC000770337358 585573031 /nfs/dbraw/zinc/57/30/31/585573031.db2.gz VJCWVUQXNKKBHD-LFYBBSHMSA-N 0 0 237.387 3.531 20 0 BHADRN C/C=C(/C)C(=O)NCC1CCC(C(C)C)CC1 ZINC000770337359 585573123 /nfs/dbraw/zinc/57/31/23/585573123.db2.gz VJCWVUQXNKKBHD-XGICHPGQSA-N 0 0 237.387 3.531 20 0 BHADRN CC(C)C1CCC(CNC(=O)/C=C/C2CC2)CC1 ZINC000770337691 585572923 /nfs/dbraw/zinc/57/29/23/585572923.db2.gz YEHAUMDFPFNTMJ-JXMROGBWSA-N 0 0 249.398 3.531 20 0 BHADRN CC(C)C1CCC(CNC(=O)/C=C\C2CC2)CC1 ZINC000770337696 585573142 /nfs/dbraw/zinc/57/31/42/585573142.db2.gz YEHAUMDFPFNTMJ-YFHOEESVSA-N 0 0 249.398 3.531 20 0 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Cc1ccc(F)cc1NCc1coc(C2CC2)n1 ZINC000770510731 585575352 /nfs/dbraw/zinc/57/53/52/585575352.db2.gz BUXVOSFAQLFZNF-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cc(F)cc(NCc2coc(C3CC3)n2)c1 ZINC000770514602 585575663 /nfs/dbraw/zinc/57/56/63/585575663.db2.gz JJIBRTDYLMIQGY-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1ncccc1OCc1ccc(Cl)s1 ZINC000770514836 585575507 /nfs/dbraw/zinc/57/55/07/585575507.db2.gz OTIRRZIVWLNFAR-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN COc1ccc(NC(C)C)cc1OC1CCCC1 ZINC000770521767 585575484 /nfs/dbraw/zinc/57/54/84/585575484.db2.gz BPSRSLMPXMJOKM-UHFFFAOYSA-N 0 0 249.354 3.837 20 0 BHADRN Cc1c(F)cccc1NCc1coc(C2CC2)n1 ZINC000770523088 585575489 /nfs/dbraw/zinc/57/54/89/585575489.db2.gz HQUXWNWFWGBYAG-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cc(OC(=O)C2=CCC2)cc(C)c1Cl ZINC000770525041 585575579 /nfs/dbraw/zinc/57/55/79/585575579.db2.gz LNYLOGNAJIRTIZ-UHFFFAOYSA-N 0 0 236.698 3.582 20 0 BHADRN C/C=C(\C)C(=O)N(c1ccc(F)cc1)C(C)C ZINC000770527135 585575659 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JAKNYKZFHNEEFU-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN Cc1ccccc1COc1c(C)ccnc1Cl ZINC000771448423 585594387 /nfs/dbraw/zinc/59/43/87/585594387.db2.gz SMRJAHRIEGBTGD-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN Cc1cccc(COc2c(C)ccnc2Cl)c1 ZINC000771449332 585594277 /nfs/dbraw/zinc/59/42/77/585594277.db2.gz XKHDUFDLQJJPAM-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN C[C@@H]1CCN(C/C(Cl)=C/Cl)CC12CCC2 ZINC000771461179 585594719 /nfs/dbraw/zinc/59/47/19/585594719.db2.gz DUYGCIKILUUXNB-PAKSIRSJSA-N 0 0 248.197 3.818 20 0 BHADRN C[C@H]1CCN(C/C(Cl)=C/Cl)CC12CCC2 ZINC000771461225 585594987 /nfs/dbraw/zinc/59/49/87/585594987.db2.gz DUYGCIKILUUXNB-QBQSQJOESA-N 0 0 248.197 3.818 20 0 BHADRN C[C@@H]1CCN(C/C(Cl)=C\Cl)CC12CCC2 ZINC000771461227 585594482 /nfs/dbraw/zinc/59/44/82/585594482.db2.gz DUYGCIKILUUXNB-UEUZTHOGSA-N 0 0 248.197 3.818 20 0 BHADRN C[C@H]1CCN(C/C(Cl)=C\Cl)CC12CCC2 ZINC000771461232 585594977 /nfs/dbraw/zinc/59/49/77/585594977.db2.gz DUYGCIKILUUXNB-VUBLIPMDSA-N 0 0 248.197 3.818 20 0 BHADRN CCC(=O)c1cccc(NC(=O)C(C)=C(C)C)c1 ZINC000771482667 585595333 /nfs/dbraw/zinc/59/53/33/585595333.db2.gz TWUCBZXSMCDTOD-UHFFFAOYSA-N 0 0 245.322 3.574 20 0 BHADRN CCCc1nc(-c2cccc(C(F)F)c2)no1 ZINC000771508687 585595441 /nfs/dbraw/zinc/59/54/41/585595441.db2.gz NYCZWHYUXPEHIB-UHFFFAOYSA-N 0 0 238.237 3.627 20 0 BHADRN CC(C)c1nc(-c2cccc(C(F)F)c2)no1 ZINC000771518480 585595445 /nfs/dbraw/zinc/59/54/45/585595445.db2.gz UGXJDRRKHKYMLQ-UHFFFAOYSA-N 0 0 238.237 3.798 20 0 BHADRN Cc1ccccc1-c1csc(-c2c[nH]cn2)n1 ZINC000771521088 585595505 /nfs/dbraw/zinc/59/55/05/585595505.db2.gz QBVXOAJWNLBHGB-UHFFFAOYSA-N 0 0 241.319 3.509 20 0 BHADRN Cc1cscc1-c1noc(C[C@@H](C)C2CC2)n1 ZINC000771525868 585595557 /nfs/dbraw/zinc/59/55/57/585595557.db2.gz MWDSZDQKZHTTPK-MRVPVSSYSA-N 0 0 248.351 3.695 20 0 BHADRN Cc1cscc1-c1noc(C[C@H](C)C2CC2)n1 ZINC000771525869 585595582 /nfs/dbraw/zinc/59/55/82/585595582.db2.gz MWDSZDQKZHTTPK-QMMMGPOBSA-N 0 0 248.351 3.695 20 0 BHADRN CC(C)(C)NC(=S)Nc1ccc(C2CC2)cc1 ZINC000771530276 585595778 /nfs/dbraw/zinc/59/57/78/585595778.db2.gz NKLNLXASMJQVMU-UHFFFAOYSA-N 0 0 248.395 3.649 20 0 BHADRN CC[C@H](C)NC(=S)Nc1ccc(C2CC2)cc1 ZINC000771531157 585595678 /nfs/dbraw/zinc/59/56/78/585595678.db2.gz WTXKXVACDBRPKR-JTQLQIEISA-N 0 0 248.395 3.649 20 0 BHADRN CC[C@@H](C)NC(=S)Nc1ccc(C2CC2)cc1 ZINC000771531158 585595868 /nfs/dbraw/zinc/59/58/68/585595868.db2.gz WTXKXVACDBRPKR-SNVBAGLBSA-N 0 0 248.395 3.649 20 0 BHADRN CCCC[C@@H](CC)COC(=O)/C=C/SC ZINC000771583394 585597313 /nfs/dbraw/zinc/59/73/13/585597313.db2.gz RTYAWEHPHCMAFN-ANYFNZRUSA-N 0 0 230.373 3.623 20 0 BHADRN CCCC[C@H](CC)COC(=O)/C=C/SC ZINC000771583395 585597311 /nfs/dbraw/zinc/59/73/11/585597311.db2.gz RTYAWEHPHCMAFN-FBOQAHMBSA-N 0 0 230.373 3.623 20 0 BHADRN CCCC[C@H](CC)COC(=O)/C=C\SC ZINC000771583396 585597450 /nfs/dbraw/zinc/59/74/50/585597450.db2.gz RTYAWEHPHCMAFN-IQQGHNRFSA-N 0 0 230.373 3.623 20 0 BHADRN CCCC[C@@H](CC)COC(=O)/C=C\SC ZINC000771583397 585597361 /nfs/dbraw/zinc/59/73/61/585597361.db2.gz RTYAWEHPHCMAFN-TYBABMIJSA-N 0 0 230.373 3.623 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)/C=C\SC ZINC000771585969 585597598 /nfs/dbraw/zinc/59/75/98/585597598.db2.gz QVCRCUVJXQWLFS-DWOQACPDSA-N 0 0 230.373 3.765 20 0 BHADRN CCCCCC[C@H](C)OC(=O)/C=C\SC ZINC000771585970 585597643 /nfs/dbraw/zinc/59/76/43/585597643.db2.gz QVCRCUVJXQWLFS-JUDLJHIGSA-N 0 0 230.373 3.765 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)/C=C/SC ZINC000771585971 585597479 /nfs/dbraw/zinc/59/74/79/585597479.db2.gz QVCRCUVJXQWLFS-PBQZMEPESA-N 0 0 230.373 3.765 20 0 BHADRN CCCCCC[C@H](C)OC(=O)/C=C/SC ZINC000771585972 585597605 /nfs/dbraw/zinc/59/76/05/585597605.db2.gz QVCRCUVJXQWLFS-USKTWTLRSA-N 0 0 230.373 3.765 20 0 BHADRN Cc1cc(-c2noc(C[C@@H](C)C3CC3)n2)c(C)o1 ZINC000771615013 585597956 /nfs/dbraw/zinc/59/79/56/585597956.db2.gz FTQMQLIROPIQQU-MRVPVSSYSA-N 0 0 246.310 3.535 20 0 BHADRN Cc1cc(-c2noc(C[C@H](C)C3CC3)n2)c(C)o1 ZINC000771615014 585597922 /nfs/dbraw/zinc/59/79/22/585597922.db2.gz FTQMQLIROPIQQU-QMMMGPOBSA-N 0 0 246.310 3.535 20 0 BHADRN Cc1cnc(COc2c(C)ccc(C)c2C)s1 ZINC000771646543 585598567 /nfs/dbraw/zinc/59/85/67/585598567.db2.gz LOFBNZQWMLSKQV-UHFFFAOYSA-N 0 0 247.363 3.956 20 0 BHADRN CC1CCC(=CC(=O)N2CCCC3(CC3)C2)CC1 ZINC000771647407 585598555 /nfs/dbraw/zinc/59/85/55/585598555.db2.gz NQUPACKUTRCIKE-UHFFFAOYSA-N 0 0 247.382 3.526 20 0 BHADRN Cc1cnc(COc2cc(C)cc(C)c2C)s1 ZINC000771652595 585598500 /nfs/dbraw/zinc/59/85/00/585598500.db2.gz DQCDPSZOPPECLX-UHFFFAOYSA-N 0 0 247.363 3.956 20 0 BHADRN CCCc1ccc(OCc2ncc(C)s2)cc1 ZINC000771658262 585598823 /nfs/dbraw/zinc/59/88/23/585598823.db2.gz CARULMCEQHEUOA-UHFFFAOYSA-N 0 0 247.363 3.983 20 0 BHADRN Cc1cnc(COc2ccc3[nH]ccc3c2)s1 ZINC000771670430 585598961 /nfs/dbraw/zinc/59/89/61/585598961.db2.gz NPWOGJNLGWZKAJ-UHFFFAOYSA-N 0 0 244.319 3.512 20 0 BHADRN Cc1cnc(CSCCC(F)(F)F)s1 ZINC000771685664 585599049 /nfs/dbraw/zinc/59/90/49/585599049.db2.gz MVAWBBGYWGMPSU-UHFFFAOYSA-N 0 0 241.303 3.637 20 0 BHADRN CCC1(c2noc(/C=C/SC)n2)CCCC1 ZINC000771716403 585599197 /nfs/dbraw/zinc/59/91/97/585599197.db2.gz BCXXVJGTGWXXJX-RMKNXTFCSA-N 0 0 238.356 3.625 20 0 BHADRN CCC1(c2noc(/C=C\SC)n2)CCCC1 ZINC000771716405 585599164 /nfs/dbraw/zinc/59/91/64/585599164.db2.gz BCXXVJGTGWXXJX-TWGQIWQCSA-N 0 0 238.356 3.625 20 0 BHADRN CCC1(c2noc([C@@H]3CC3(C)C)n2)CCCC1 ZINC000771719457 585599130 /nfs/dbraw/zinc/59/91/30/585599130.db2.gz ZXXJFOCHCBMHHU-JTQLQIEISA-N 0 0 234.343 3.805 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccc(C2CC2)cc1 ZINC000771729529 585599345 /nfs/dbraw/zinc/59/93/45/585599345.db2.gz IFJWEKSCEWQADQ-NYYWCZLTSA-N 0 0 229.323 3.859 20 0 BHADRN CC/C=C(/C)C(=O)Nc1ccc(C2CC2)cc1 ZINC000771729531 585599406 /nfs/dbraw/zinc/59/94/06/585599406.db2.gz IFJWEKSCEWQADQ-WCIBSUBMSA-N 0 0 229.323 3.859 20 0 BHADRN O=C(C=C1CCC1)Nc1ccc(C2CC2)cc1 ZINC000771729892 585599276 /nfs/dbraw/zinc/59/92/76/585599276.db2.gz KDHHUDCAZIJWHL-UHFFFAOYSA-N 0 0 227.307 3.613 20 0 BHADRN C/C(=C/C(=O)Nc1ccc(C2CC2)cc1)C1CC1 ZINC000771731788 585599438 /nfs/dbraw/zinc/59/94/38/585599438.db2.gz JLLLTFWOIYAPQP-KHPPLWFESA-N 0 0 241.334 3.859 20 0 BHADRN C/C(=C\C(=O)Nc1ccc(C2CC2)cc1)C1CC1 ZINC000771731790 585599379 /nfs/dbraw/zinc/59/93/79/585599379.db2.gz JLLLTFWOIYAPQP-ZHACJKMWSA-N 0 0 241.334 3.859 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccc(C2CC2)cc1 ZINC000771733186 585599419 /nfs/dbraw/zinc/59/94/19/585599419.db2.gz OZYSOSJPOZRATI-IAROGAJJSA-N 0 0 227.307 3.635 20 0 BHADRN C/C=C/C=C/C(=O)Nc1ccc(C2CC2)cc1 ZINC000771733188 585599361 /nfs/dbraw/zinc/59/93/61/585599361.db2.gz OZYSOSJPOZRATI-MQQKCMAXSA-N 0 0 227.307 3.635 20 0 BHADRN CC1(C)C[C@H]1C(=O)Nc1ccc(C2CC2)cc1 ZINC000771733995 585599397 /nfs/dbraw/zinc/59/93/97/585599397.db2.gz REINZOUOJQLTKO-ZDUSSCGKSA-N 0 0 229.323 3.549 20 0 BHADRN C[C@H](CC(=O)Nc1ccc(C2CC2)cc1)C1CC1 ZINC000771735150 585599481 /nfs/dbraw/zinc/59/94/81/585599481.db2.gz QOTWOFFKRPSOLC-LLVKDONJSA-N 0 0 243.350 3.939 20 0 BHADRN C[C@@H](CC(=O)Nc1ccc(C2CC2)cc1)C1CC1 ZINC000771735151 585599285 /nfs/dbraw/zinc/59/92/85/585599285.db2.gz QOTWOFFKRPSOLC-NSHDSACASA-N 0 0 243.350 3.939 20 0 BHADRN CC(C)C(NC(=O)C(F)=C1CCCC1)C(C)C ZINC000771741726 585599332 /nfs/dbraw/zinc/59/93/32/585599332.db2.gz VCMIUPPXQZYSKM-UHFFFAOYSA-N 0 0 241.350 3.581 20 0 BHADRN C/C=C(/C=C/C(=O)NC(C(C)C)C(C)C)CC ZINC000771741996 585599299 /nfs/dbraw/zinc/59/92/99/585599299.db2.gz ZQZLECIZMHNUAZ-GSSAJISUSA-N 0 0 237.387 3.696 20 0 BHADRN C/C=C(/C=C\C(=O)NC(C(C)C)C(C)C)CC ZINC000771741999 585599349 /nfs/dbraw/zinc/59/93/49/585599349.db2.gz ZQZLECIZMHNUAZ-QLNUPNCESA-N 0 0 237.387 3.696 20 0 BHADRN CC(C(=O)NC(C(C)C)C(C)C)=C1CCCC1 ZINC000771746998 585599650 /nfs/dbraw/zinc/59/96/50/585599650.db2.gz HNZDRJNDUAIUPE-UHFFFAOYSA-N 0 0 237.387 3.674 20 0 BHADRN CCC(=CC(=O)N1[C@@H](C)CC[C@@H]1CC)CC ZINC000771750589 585599542 /nfs/dbraw/zinc/59/95/42/585599542.db2.gz IAUIQVTWAVRKHN-AAEUAGOBSA-N 0 0 223.360 3.522 20 0 BHADRN CCC(=CC(=O)N1[C@H](C)CC[C@H]1CC)CC ZINC000771750590 585599595 /nfs/dbraw/zinc/59/95/95/585599595.db2.gz IAUIQVTWAVRKHN-DGCLKSJQSA-N 0 0 223.360 3.522 20 0 BHADRN CCC(=CC(=O)N1[C@H](CC)CC[C@@H]1C)CC ZINC000771750623 585599473 /nfs/dbraw/zinc/59/94/73/585599473.db2.gz IAUIQVTWAVRKHN-WCQYABFASA-N 0 0 223.360 3.522 20 0 BHADRN Cc1cccc(N2Cc3ccccc3[C@H](C)C2)n1 ZINC000771750996 585599383 /nfs/dbraw/zinc/59/93/83/585599383.db2.gz LSWFXVYRJMYIOA-GFCCVEGCSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1cccc(N2Cc3ccccc3[C@@H](C)C2)n1 ZINC000771750999 585599280 /nfs/dbraw/zinc/59/92/80/585599280.db2.gz LSWFXVYRJMYIOA-LBPRGKRZSA-N 0 0 238.334 3.514 20 0 BHADRN CCC(=CC(=O)N1[C@H](C)CC[C@@H]1CC)CC ZINC000771751044 585599620 /nfs/dbraw/zinc/59/96/20/585599620.db2.gz IAUIQVTWAVRKHN-YPMHNXCESA-N 0 0 223.360 3.522 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)/C=C/c1ccsc1 ZINC000771753481 585599546 /nfs/dbraw/zinc/59/95/46/585599546.db2.gz URXFURYHKUZPHL-BVKQBWKVSA-N 0 0 249.379 3.551 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)/C=C\c1ccsc1 ZINC000771753484 585599685 /nfs/dbraw/zinc/59/96/85/585599685.db2.gz URXFURYHKUZPHL-HHQZKXIDSA-N 0 0 249.379 3.551 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C\c1ccsc1 ZINC000771753485 585599643 /nfs/dbraw/zinc/59/96/43/585599643.db2.gz URXFURYHKUZPHL-PDCNKGEESA-N 0 0 249.379 3.551 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C/c1ccsc1 ZINC000771753487 585599718 /nfs/dbraw/zinc/59/97/18/585599718.db2.gz URXFURYHKUZPHL-VAFIWLDWSA-N 0 0 249.379 3.551 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)C=C1CCCCC1 ZINC000771754046 585599561 /nfs/dbraw/zinc/59/95/61/585599561.db2.gz YFUIHJPBQHETGE-GXTWGEPZSA-N 0 0 235.371 3.666 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)C=C1CCCCC1 ZINC000771754047 585599636 /nfs/dbraw/zinc/59/96/36/585599636.db2.gz YFUIHJPBQHETGE-JSGCOSHPSA-N 0 0 235.371 3.666 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)C=C1CCCCC1 ZINC000771754048 585599545 /nfs/dbraw/zinc/59/95/45/585599545.db2.gz YFUIHJPBQHETGE-OCCSQVGLSA-N 0 0 235.371 3.666 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)C=C1CCCCC1 ZINC000771754049 585599577 /nfs/dbraw/zinc/59/95/77/585599577.db2.gz YFUIHJPBQHETGE-TZMCWYRMSA-N 0 0 235.371 3.666 20 0 BHADRN C/C=C(/C=C/C(=O)N1[C@H](C)CC[C@@H]1CC)CC ZINC000771755414 585599674 /nfs/dbraw/zinc/59/96/74/585599674.db2.gz YONMOLSBCMCQHX-MOVDDADGSA-N 0 0 235.371 3.688 20 0 BHADRN C/C=C(/C=C\C(=O)N1[C@H](C)CC[C@@H]1CC)CC ZINC000771755415 585599675 /nfs/dbraw/zinc/59/96/75/585599675.db2.gz YONMOLSBCMCQHX-PDPBOHLJSA-N 0 0 235.371 3.688 20 0 BHADRN C/C=C(/C=C\C(=O)N1[C@H](C)CC[C@H]1CC)CC ZINC000771755416 585599625 /nfs/dbraw/zinc/59/96/25/585599625.db2.gz YONMOLSBCMCQHX-PWFZLYETSA-N 0 0 235.371 3.688 20 0 BHADRN C/C=C(/C=C/C(=O)N1[C@H](C)CC[C@H]1CC)CC ZINC000771755417 585599618 /nfs/dbraw/zinc/59/96/18/585599618.db2.gz YONMOLSBCMCQHX-RTLZZQQYSA-N 0 0 235.371 3.688 20 0 BHADRN CCC/C(C)=C/C(=O)N1[C@H](C)CC[C@H]1CC ZINC000771757593 585599575 /nfs/dbraw/zinc/59/95/75/585599575.db2.gz LISBRNSMENNQTA-HRFIDBLHSA-N 0 0 223.360 3.522 20 0 BHADRN CCC/C(C)=C/C(=O)N1[C@H](C)CC[C@@H]1CC ZINC000771757595 585599500 /nfs/dbraw/zinc/59/95/00/585599500.db2.gz LISBRNSMENNQTA-NQYVGZPUSA-N 0 0 223.360 3.522 20 0 BHADRN CCC/C(C)=C\C(=O)N1[C@H](C)CC[C@@H]1CC ZINC000771757597 585599519 /nfs/dbraw/zinc/59/95/19/585599519.db2.gz LISBRNSMENNQTA-OBXXYZRDSA-N 0 0 223.360 3.522 20 0 BHADRN CCC/C(C)=C\C(=O)N1[C@H](C)CC[C@H]1CC ZINC000771757600 585599715 /nfs/dbraw/zinc/59/97/15/585599715.db2.gz LISBRNSMENNQTA-QVDRPMGRSA-N 0 0 223.360 3.522 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)C=C(C1CC1)C1CC1 ZINC000771758195 585599854 /nfs/dbraw/zinc/59/98/54/585599854.db2.gz MSNWXFUJUIQXEO-BXUZGUMPSA-N 0 0 247.382 3.522 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)C=C(C1CC1)C1CC1 ZINC000771758197 585599990 /nfs/dbraw/zinc/59/99/90/585599990.db2.gz MSNWXFUJUIQXEO-FZMZJTMJSA-N 0 0 247.382 3.522 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)C=C(C1CC1)C1CC1 ZINC000771758199 585599829 /nfs/dbraw/zinc/59/98/29/585599829.db2.gz MSNWXFUJUIQXEO-RISCZKNCSA-N 0 0 247.382 3.522 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)C=C(C1CC1)C1CC1 ZINC000771758202 585599782 /nfs/dbraw/zinc/59/97/82/585599782.db2.gz MSNWXFUJUIQXEO-SMDDNHRTSA-N 0 0 247.382 3.522 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)/C=C\c1cccs1 ZINC000771758276 585599776 /nfs/dbraw/zinc/59/97/76/585599776.db2.gz NWSYWZIYVXMMDF-DSWQZHNZSA-N 0 0 249.379 3.551 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C\c1cccs1 ZINC000771758277 585600006 /nfs/dbraw/zinc/60/00/06/585600006.db2.gz NWSYWZIYVXMMDF-RZRXIGATSA-N 0 0 249.379 3.551 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)/C=C/c1cccs1 ZINC000771758278 585599845 /nfs/dbraw/zinc/59/98/45/585599845.db2.gz NWSYWZIYVXMMDF-SVKHLYGUSA-N 0 0 249.379 3.551 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C/c1cccs1 ZINC000771758280 585599371 /nfs/dbraw/zinc/59/93/71/585599371.db2.gz NWSYWZIYVXMMDF-VDTGWRSZSA-N 0 0 249.379 3.551 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C1/CC[C@@H](C)C1 ZINC000771758967 585599760 /nfs/dbraw/zinc/59/97/60/585599760.db2.gz RRYLEYCIGJBMBV-ICAXDFQFSA-N 0 0 235.371 3.522 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C1\CC[C@@H](C)C1 ZINC000771758969 585599831 /nfs/dbraw/zinc/59/98/31/585599831.db2.gz RRYLEYCIGJBMBV-IYRNGGTJSA-N 0 0 235.371 3.522 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C1/CC[C@H](C)C1 ZINC000771758972 585599809 /nfs/dbraw/zinc/59/98/09/585599809.db2.gz RRYLEYCIGJBMBV-UETFZESXSA-N 0 0 235.371 3.522 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C1\CC[C@H](C)C1 ZINC000771758974 585599748 /nfs/dbraw/zinc/59/97/48/585599748.db2.gz RRYLEYCIGJBMBV-UMWBJBIBSA-N 0 0 235.371 3.522 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)/C=C(\C)C(C)(C)C ZINC000771759889 585599832 /nfs/dbraw/zinc/59/98/32/585599832.db2.gz WJRVNPSJXSPHKX-HRFIDBLHSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C(\C)C(C)(C)C ZINC000771759891 585599903 /nfs/dbraw/zinc/59/99/03/585599903.db2.gz WJRVNPSJXSPHKX-LZBRBDLSSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)/C=C(/C)C(C)(C)C ZINC000771759893 585599843 /nfs/dbraw/zinc/59/98/43/585599843.db2.gz WJRVNPSJXSPHKX-QVDRPMGRSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C(/C)C(C)(C)C ZINC000771759896 585599835 /nfs/dbraw/zinc/59/98/35/585599835.db2.gz WJRVNPSJXSPHKX-SENBOFQLSA-N 0 0 237.387 3.768 20 0 BHADRN CCCCCCC(=O)N1[C@H](C)CC[C@H]1CC ZINC000771759916 585599807 /nfs/dbraw/zinc/59/98/07/585599807.db2.gz WUFSTLLSPNYGKU-CHWSQXEVSA-N 0 0 225.376 3.746 20 0 BHADRN CCCCCCC(=O)N1[C@H](C)CC[C@@H]1CC ZINC000771759918 585599842 /nfs/dbraw/zinc/59/98/42/585599842.db2.gz WUFSTLLSPNYGKU-OLZOCXBDSA-N 0 0 225.376 3.746 20 0 BHADRN CCCCCCC(=O)N1[C@H](CC)CC[C@@H]1C ZINC000771759919 585599937 /nfs/dbraw/zinc/59/99/37/585599937.db2.gz WUFSTLLSPNYGKU-QWHCGFSZSA-N 0 0 225.376 3.746 20 0 BHADRN CCCCCCC(=O)N1[C@@H](C)CC[C@@H]1CC ZINC000771759922 585599819 /nfs/dbraw/zinc/59/98/19/585599819.db2.gz WUFSTLLSPNYGKU-STQMWFEESA-N 0 0 225.376 3.746 20 0 BHADRN CC(C(=O)Nc1cc(C)cc(F)c1)=C1CCCC1 ZINC000771765239 585599749 /nfs/dbraw/zinc/59/97/49/585599749.db2.gz HSMJMCXUKVVLHD-UHFFFAOYSA-N 0 0 247.313 3.963 20 0 BHADRN CCC/C=C\C(=O)Nc1cccc(C(=O)CC)c1 ZINC000771789752 585600051 /nfs/dbraw/zinc/60/00/51/585600051.db2.gz AUTQYEYGRPJCNI-POHAHGRESA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C=C/C(=O)Nc1cccc(C(=O)CC)c1 ZINC000771789753 585600255 /nfs/dbraw/zinc/60/02/55/585600255.db2.gz AUTQYEYGRPJCNI-UXBLZVDNSA-N 0 0 245.322 3.574 20 0 BHADRN CC[C@@H](C)CNc1ccnn1C1CCCCC1 ZINC000771828190 585601515 /nfs/dbraw/zinc/60/15/15/585601515.db2.gz TYOHVVPNNOVRMQ-GFCCVEGCSA-N 0 0 235.375 3.846 20 0 BHADRN CC[C@H](C)CNc1ccnn1C1CCCCC1 ZINC000771828191 585601491 /nfs/dbraw/zinc/60/14/91/585601491.db2.gz TYOHVVPNNOVRMQ-LBPRGKRZSA-N 0 0 235.375 3.846 20 0 BHADRN CC[C@H]1CCCCN1C(=O)/C(C)=C\C(C)(C)C ZINC000771838244 585601861 /nfs/dbraw/zinc/60/18/61/585601861.db2.gz IISQGFQZSDGCPD-HHQWOOOKSA-N 0 0 237.387 3.770 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)/C(C)=C/C(C)(C)C ZINC000771838245 585601960 /nfs/dbraw/zinc/60/19/60/585601960.db2.gz IISQGFQZSDGCPD-XZHRJIJLSA-N 0 0 237.387 3.770 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)/C(C)=C\C(C)(C)C ZINC000771838247 585601945 /nfs/dbraw/zinc/60/19/45/585601945.db2.gz IISQGFQZSDGCPD-YLGBQOPLSA-N 0 0 237.387 3.770 20 0 BHADRN CC[C@H]1CCCCN1C(=O)/C(C)=C/C(C)(C)C ZINC000771838248 585601791 /nfs/dbraw/zinc/60/17/91/585601791.db2.gz IISQGFQZSDGCPD-YLSINNKHSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)Cc1ccc(C)o1 ZINC000771839679 585601869 /nfs/dbraw/zinc/60/18/69/585601869.db2.gz PQHOUXCAYCDAIG-LUAWRHEFSA-N 0 0 249.354 3.539 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)Cc1ccc(C)o1 ZINC000771839684 585601884 /nfs/dbraw/zinc/60/18/84/585601884.db2.gz PQHOUXCAYCDAIG-PKNBQFBNSA-N 0 0 249.354 3.539 20 0 BHADRN Cc1ccc(C)c(NC(=O)C2(F)CCCC2)c1 ZINC000771841390 585602044 /nfs/dbraw/zinc/60/20/44/585602044.db2.gz WFACFIFEMAYNSJ-UHFFFAOYSA-N 0 0 235.302 3.524 20 0 BHADRN CC(C)CCC[C@@H](C)NC(=O)C1(F)CCCC1 ZINC000771843802 585602195 /nfs/dbraw/zinc/60/21/95/585602195.db2.gz ACVFTNHZKWHVNE-GFCCVEGCSA-N 0 0 243.366 3.600 20 0 BHADRN CC(C)CCC[C@H](C)NC(=O)C1(F)CCCC1 ZINC000771843803 585602081 /nfs/dbraw/zinc/60/20/81/585602081.db2.gz ACVFTNHZKWHVNE-LBPRGKRZSA-N 0 0 243.366 3.600 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@H](C)CCC(C)C ZINC000771846132 585602267 /nfs/dbraw/zinc/60/22/67/585602267.db2.gz OOQKASRJXODYKF-KXXVWKPMSA-N 0 0 239.403 3.920 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@H](C)CCC(C)C ZINC000771846133 585602324 /nfs/dbraw/zinc/60/23/24/585602324.db2.gz OOQKASRJXODYKF-RSKUSDAESA-N 0 0 239.403 3.920 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)CCC(C)C ZINC000771846134 585602229 /nfs/dbraw/zinc/60/22/29/585602229.db2.gz OOQKASRJXODYKF-UKVQZPPCSA-N 0 0 239.403 3.920 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H](C)CCC(C)C ZINC000771846135 585602412 /nfs/dbraw/zinc/60/24/12/585602412.db2.gz OOQKASRJXODYKF-XSNHNAGMSA-N 0 0 239.403 3.920 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCCC1=CCCCC1 ZINC000771846143 585602352 /nfs/dbraw/zinc/60/23/52/585602352.db2.gz OXTJFSBKRBXAQG-OUKQBFOZSA-N 0 0 249.398 3.986 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCCC1=CCCCC1 ZINC000771846144 585602269 /nfs/dbraw/zinc/60/22/69/585602269.db2.gz OXTJFSBKRBXAQG-SEYXRHQNSA-N 0 0 249.398 3.986 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCC1CCCCC1 ZINC000771846817 585602224 /nfs/dbraw/zinc/60/22/24/585602224.db2.gz MHVCVQBQUIUNCU-BENRWUELSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCC1CCCCC1 ZINC000771846819 585602290 /nfs/dbraw/zinc/60/22/90/585602290.db2.gz MHVCVQBQUIUNCU-ZRDIBKRKSA-N 0 0 237.387 3.675 20 0 BHADRN CCCN(CCC)C(=O)/C(C)=C\C(C)(C)C ZINC000771847551 585602311 /nfs/dbraw/zinc/60/23/11/585602311.db2.gz RNJFJCFQEMOVHZ-QXMHVHEDSA-N 0 0 225.376 3.627 20 0 BHADRN CCCN(CCC)C(=O)/C(C)=C/C(C)(C)C ZINC000771847553 585602369 /nfs/dbraw/zinc/60/23/69/585602369.db2.gz RNJFJCFQEMOVHZ-VAWYXSNFSA-N 0 0 225.376 3.627 20 0 BHADRN Cc1cccc(NC(=O)C2(F)CCCC2)c1C ZINC000771848336 643605709 /nfs/dbraw/zinc/60/57/09/643605709.db2.gz AABNBXAXGKYEFE-UHFFFAOYSA-N 0 0 235.302 3.524 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)Nc1cccc(C)c1 ZINC000771848517 585602383 /nfs/dbraw/zinc/60/23/83/585602383.db2.gz BJFCNHLJBTUYHE-BENRWUELSA-N 0 0 231.339 3.926 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Nc1cccc(C)c1 ZINC000771848522 585602317 /nfs/dbraw/zinc/60/23/17/585602317.db2.gz BJFCNHLJBTUYHE-ZRDIBKRKSA-N 0 0 231.339 3.926 20 0 BHADRN O=C(Nc1cccc(Cl)c1)C1(F)CCCC1 ZINC000771849422 585602264 /nfs/dbraw/zinc/60/22/64/585602264.db2.gz FUVZDWTUBYDDLN-UHFFFAOYSA-N 0 0 241.693 3.561 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)c1ccccc1 ZINC000771849546 585602313 /nfs/dbraw/zinc/60/23/13/585602313.db2.gz GNMOXEJOKVZIAP-QXMHVHEDSA-N 0 0 231.339 3.642 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)c1ccccc1 ZINC000771849547 585602384 /nfs/dbraw/zinc/60/23/84/585602384.db2.gz GNMOXEJOKVZIAP-VAWYXSNFSA-N 0 0 231.339 3.642 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC1CCCCCC1 ZINC000771850336 585602628 /nfs/dbraw/zinc/60/26/28/585602628.db2.gz LJSSYHQDOHVZEA-QXMHVHEDSA-N 0 0 237.387 3.818 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC1CCCCCC1 ZINC000771850337 585602554 /nfs/dbraw/zinc/60/25/54/585602554.db2.gz LJSSYHQDOHVZEA-VAWYXSNFSA-N 0 0 237.387 3.818 20 0 BHADRN Cc1ccc(NC(=O)C2(F)CCCC2)cc1C ZINC000771850697 585602561 /nfs/dbraw/zinc/60/25/61/585602561.db2.gz MJZOYWWBZSCFRL-UHFFFAOYSA-N 0 0 235.302 3.524 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)Nc1ccc(C)cc1 ZINC000771851204 585602448 /nfs/dbraw/zinc/60/24/48/585602448.db2.gz PPSWPRRLXAYVKS-BENRWUELSA-N 0 0 231.339 3.926 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Nc1ccc(C)cc1 ZINC000771851205 585602566 /nfs/dbraw/zinc/60/25/66/585602566.db2.gz PPSWPRRLXAYVKS-ZRDIBKRKSA-N 0 0 231.339 3.926 20 0 BHADRN Cc1ccc(NC(=O)C2(F)CCCC2)c(C)c1 ZINC000771851295 585602606 /nfs/dbraw/zinc/60/26/06/585602606.db2.gz RCNWZSRGGJIADY-UHFFFAOYSA-N 0 0 235.302 3.524 20 0 BHADRN O=C(Nc1ccccc1Cl)C1(F)CCCC1 ZINC000771852514 585602597 /nfs/dbraw/zinc/60/25/97/585602597.db2.gz XWZKHLCORDPACX-UHFFFAOYSA-N 0 0 241.693 3.561 20 0 BHADRN O=C(Nc1ccc(Cl)cc1)C1(F)CCCC1 ZINC000771852523 585602459 /nfs/dbraw/zinc/60/24/59/585602459.db2.gz YJWBVOZZWLSRPD-UHFFFAOYSA-N 0 0 241.693 3.561 20 0 BHADRN CC[C@@H](C)CNc1ccc2c(c1)CCCN2C ZINC000771852564 585602573 /nfs/dbraw/zinc/60/25/73/585602573.db2.gz ZSZFGEXZXCTQOA-GFCCVEGCSA-N 0 0 232.371 3.527 20 0 BHADRN CC[C@H](C)CNc1ccc2c(c1)CCCN2C ZINC000771852565 585602577 /nfs/dbraw/zinc/60/25/77/585602577.db2.gz ZSZFGEXZXCTQOA-LBPRGKRZSA-N 0 0 232.371 3.527 20 0 BHADRN Cc1cc(C)cc(NC(=O)C2(F)CCCC2)c1 ZINC000771852780 585602504 /nfs/dbraw/zinc/60/25/04/585602504.db2.gz LGTHDFBFUWVLIS-UHFFFAOYSA-N 0 0 235.302 3.524 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1C(=O)NC1CCCCCCC1 ZINC000771854661 585602765 /nfs/dbraw/zinc/60/27/65/585602765.db2.gz CXONYZQSPVVTBE-KBPBESRZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H]1C[C@@H]1C(=O)NC1CCCCCCC1 ZINC000771854662 585602824 /nfs/dbraw/zinc/60/28/24/585602824.db2.gz CXONYZQSPVVTBE-KGLIPLIRSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)NC1CCCCCCC1 ZINC000771854664 585602768 /nfs/dbraw/zinc/60/27/68/585602768.db2.gz CXONYZQSPVVTBE-UONOGXRCSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)[C@H]1C[C@H]1C(=O)NC1CCCCCCC1 ZINC000771854665 585602819 /nfs/dbraw/zinc/60/28/19/585602819.db2.gz CXONYZQSPVVTBE-ZIAGYGMSSA-N 0 0 237.387 3.508 20 0 BHADRN CCCN(CC1CC1)C(=O)/C(C)=C\C(C)(C)C ZINC000771854680 585602731 /nfs/dbraw/zinc/60/27/31/585602731.db2.gz DCTUIOPLBQEDNB-BENRWUELSA-N 0 0 237.387 3.627 20 0 BHADRN CCCN(CC1CC1)C(=O)/C(C)=C/C(C)(C)C ZINC000771854681 585602641 /nfs/dbraw/zinc/60/26/41/585602641.db2.gz DCTUIOPLBQEDNB-ZRDIBKRKSA-N 0 0 237.387 3.627 20 0 BHADRN CC(C)CC(=O)OCc1cccc(F)c1Cl ZINC000771856493 585602664 /nfs/dbraw/zinc/60/26/64/585602664.db2.gz ASJGSUKGFWUSHS-UHFFFAOYSA-N 0 0 244.693 3.568 20 0 BHADRN CCCc1ccc(NC(=O)C2(F)CCCC2)cc1 ZINC000771860138 585602828 /nfs/dbraw/zinc/60/28/28/585602828.db2.gz RKAGDAFBYHCFMY-UHFFFAOYSA-N 0 0 249.329 3.860 20 0 BHADRN CC(C)(C)CC(C)(C)NC(=O)C1(F)CCCC1 ZINC000771860150 585602770 /nfs/dbraw/zinc/60/27/70/585602770.db2.gz RTZJXLDSSHRXNH-UHFFFAOYSA-N 0 0 243.366 3.600 20 0 BHADRN CCCCN(CC)C(=O)/C(C)=C\C(C)(C)C ZINC000771860231 585602676 /nfs/dbraw/zinc/60/26/76/585602676.db2.gz UKVGXDCPWCPOKM-QXMHVHEDSA-N 0 0 225.376 3.627 20 0 BHADRN CCCCN(CC)C(=O)/C(C)=C/C(C)(C)C ZINC000771860233 585602816 /nfs/dbraw/zinc/60/28/16/585602816.db2.gz UKVGXDCPWCPOKM-VAWYXSNFSA-N 0 0 225.376 3.627 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)C1(F)CCCC1 ZINC000771860987 585602847 /nfs/dbraw/zinc/60/28/47/585602847.db2.gz JLYRIQADYVOKHU-GFCCVEGCSA-N 0 0 243.366 3.601 20 0 BHADRN CCCC[C@H](CC)CNC(=O)C1(F)CCCC1 ZINC000771860988 585603087 /nfs/dbraw/zinc/60/30/87/585603087.db2.gz JLYRIQADYVOKHU-LBPRGKRZSA-N 0 0 243.366 3.601 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000771861906 585603052 /nfs/dbraw/zinc/60/30/52/585603052.db2.gz ZUSOZVGEYSNEJU-KLOBIAMYSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000771861910 585603032 /nfs/dbraw/zinc/60/30/32/585603032.db2.gz ZUSOZVGEYSNEJU-WEVJOFGFSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000771861913 585602883 /nfs/dbraw/zinc/60/28/83/585602883.db2.gz ZUSOZVGEYSNEJU-ZGDCTCODSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000771861917 585602961 /nfs/dbraw/zinc/60/29/61/585602961.db2.gz ZUSOZVGEYSNEJU-ZWRVYWDGSA-N 0 0 237.387 3.674 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H]1CCCC1(C)C ZINC000771862173 585602879 /nfs/dbraw/zinc/60/28/79/585602879.db2.gz QDFXEMNUMJETFB-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H]1CCCC1(C)C ZINC000771862176 585603031 /nfs/dbraw/zinc/60/30/31/585603031.db2.gz QDFXEMNUMJETFB-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H]1CCCC1(C)C ZINC000771862179 585603083 /nfs/dbraw/zinc/60/30/83/585603083.db2.gz QDFXEMNUMJETFB-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1CCCC1(C)C ZINC000771862181 585603058 /nfs/dbraw/zinc/60/30/58/585603058.db2.gz QDFXEMNUMJETFB-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCCC1CCCC1 ZINC000771862886 585603098 /nfs/dbraw/zinc/60/30/98/585603098.db2.gz UPLKHOGKVSNIHV-QXMHVHEDSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCCC1CCCC1 ZINC000771862887 585602954 /nfs/dbraw/zinc/60/29/54/585602954.db2.gz UPLKHOGKVSNIHV-VAWYXSNFSA-N 0 0 237.387 3.675 20 0 BHADRN CCCCC(=O)OCc1cccc(F)c1Cl ZINC000771864204 585602994 /nfs/dbraw/zinc/60/29/94/585602994.db2.gz KLBOWPYCRRFUIO-UHFFFAOYSA-N 0 0 244.693 3.713 20 0 BHADRN CCCCCCNC(=O)[C@H]1CCCC1(C)C ZINC000771866082 585603011 /nfs/dbraw/zinc/60/30/11/585603011.db2.gz DRGMGCVZVYPHTJ-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCCNC(=O)[C@@H]1CCCC1(C)C ZINC000771866083 585602974 /nfs/dbraw/zinc/60/29/74/585602974.db2.gz DRGMGCVZVYPHTJ-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)C1CCCCC1 ZINC000771866377 585602965 /nfs/dbraw/zinc/60/29/65/585602965.db2.gz BYSITCFRXWYDLL-QXMHVHEDSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)C1CCCCC1 ZINC000771866379 585603077 /nfs/dbraw/zinc/60/30/77/585603077.db2.gz BYSITCFRXWYDLL-VAWYXSNFSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C1(F)CCCC1 ZINC000771866440 585603042 /nfs/dbraw/zinc/60/30/42/585603042.db2.gz GFFDSFJTXCLQRR-GFCCVEGCSA-N 0 0 243.366 3.744 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C1(F)CCCC1 ZINC000771866441 585602998 /nfs/dbraw/zinc/60/29/98/585602998.db2.gz GFFDSFJTXCLQRR-LBPRGKRZSA-N 0 0 243.366 3.744 20 0 BHADRN CCCCCCNC(=O)/C(C)=C\C(C)(C)C ZINC000771867528 585602914 /nfs/dbraw/zinc/60/29/14/585602914.db2.gz LFJRMASJJDFQHS-QXMHVHEDSA-N 0 0 225.376 3.675 20 0 BHADRN CCCCCCNC(=O)/C(C)=C/C(C)(C)C ZINC000771867530 585603018 /nfs/dbraw/zinc/60/30/18/585603018.db2.gz LFJRMASJJDFQHS-VAWYXSNFSA-N 0 0 225.376 3.675 20 0 BHADRN CCCCCCNC(=O)[C@H](C)CC(C)(C)C ZINC000771867646 585602959 /nfs/dbraw/zinc/60/29/59/585602959.db2.gz NKGNOVZGAWLHIS-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCCNC(=O)[C@@H](C)CC(C)(C)C ZINC000771867648 585602916 /nfs/dbraw/zinc/60/29/16/585602916.db2.gz NKGNOVZGAWLHIS-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000771868816 585602864 /nfs/dbraw/zinc/60/28/64/585602864.db2.gz SWAXCIWIEAVFGA-BFHYXJOUSA-N 0 0 239.403 3.754 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@H]1C[C@H]1C(C)C ZINC000771868818 585603088 /nfs/dbraw/zinc/60/30/88/585603088.db2.gz SWAXCIWIEAVFGA-IHRRRGAJSA-N 0 0 239.403 3.754 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000771868821 585602918 /nfs/dbraw/zinc/60/29/18/585602918.db2.gz SWAXCIWIEAVFGA-MELADBBJSA-N 0 0 239.403 3.754 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000771868824 585602861 /nfs/dbraw/zinc/60/28/61/585602861.db2.gz SWAXCIWIEAVFGA-MJBXVCDLSA-N 0 0 239.403 3.754 20 0 BHADRN Cc1ccc2[nH]c(C(=O)OC3CCCC3)cc2c1 ZINC000771874809 644689788 /nfs/dbraw/zinc/68/97/88/644689788.db2.gz VIESIGOLNMVAPH-UHFFFAOYSA-N 0 0 243.306 3.576 20 0 BHADRN CC[C@@H](C)C(=O)OCc1cccc(F)c1Cl ZINC000771877656 644690533 /nfs/dbraw/zinc/69/05/33/644690533.db2.gz RDEZCZHREUOGNB-MRVPVSSYSA-N 0 0 244.693 3.568 20 0 BHADRN CC[C@H](C)C(=O)OCc1cccc(F)c1Cl ZINC000771877657 644689623 /nfs/dbraw/zinc/68/96/23/644689623.db2.gz RDEZCZHREUOGNB-QMMMGPOBSA-N 0 0 244.693 3.568 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)N1CCCCCCC1 ZINC000771881146 585603310 /nfs/dbraw/zinc/60/33/10/585603310.db2.gz MLGNZZVKJWDKER-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)N1CCCCCCC1 ZINC000771881148 585603113 /nfs/dbraw/zinc/60/31/13/585603113.db2.gz MLGNZZVKJWDKER-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)N1CCCCCCC1 ZINC000771882392 585603243 /nfs/dbraw/zinc/60/32/43/585603243.db2.gz UNZYMHMCECPLGD-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)N1CCCCCCC1 ZINC000771882414 585603276 /nfs/dbraw/zinc/60/32/76/585603276.db2.gz UNZYMHMCECPLGD-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCCCCCC1 ZINC000771883294 585603106 /nfs/dbraw/zinc/60/31/06/585603106.db2.gz ZBNRFECATROHKF-OUKQBFOZSA-N 0 0 237.387 3.772 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCCCC(C)C ZINC000771895364 585604098 /nfs/dbraw/zinc/60/40/98/585604098.db2.gz WMKWALFFAMNOLM-BENRWUELSA-N 0 0 225.376 3.531 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCCCC(C)C ZINC000771895365 585603995 /nfs/dbraw/zinc/60/39/95/585603995.db2.gz WMKWALFFAMNOLM-ZRDIBKRKSA-N 0 0 225.376 3.531 20 0 BHADRN CC[C@@H]1CCCN(C(=O)/C(C)=C\C(C)(C)C)C1 ZINC000771895456 585604091 /nfs/dbraw/zinc/60/40/91/585604091.db2.gz YEPQMWUUIUZBHB-KXXVWKPMSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@@H]1CCCN(C(=O)/C(C)=C/C(C)(C)C)C1 ZINC000771895458 585604152 /nfs/dbraw/zinc/60/41/52/585604152.db2.gz YEPQMWUUIUZBHB-RSKUSDAESA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@H]1CCCN(C(=O)/C(C)=C\C(C)(C)C)C1 ZINC000771895460 585604110 /nfs/dbraw/zinc/60/41/10/585604110.db2.gz YEPQMWUUIUZBHB-UKVQZPPCSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@H]1CCCN(C(=O)/C(C)=C/C(C)(C)C)C1 ZINC000771895461 585604235 /nfs/dbraw/zinc/60/42/35/585604235.db2.gz YEPQMWUUIUZBHB-XSNHNAGMSA-N 0 0 237.387 3.627 20 0 BHADRN CCCCN(CCCC)C(=O)C1(F)CCCC1 ZINC000771901025 585604206 /nfs/dbraw/zinc/60/42/06/585604206.db2.gz LTYAAYSOBNZNOO-UHFFFAOYSA-N 0 0 243.366 3.698 20 0 BHADRN CCCCCN(C(=O)C1(F)CCCC1)C(C)C ZINC000771904995 585604093 /nfs/dbraw/zinc/60/40/93/585604093.db2.gz RAHTVPCXZSWTHZ-UHFFFAOYSA-N 0 0 243.366 3.696 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(CC(C)C)C1CC1 ZINC000771905121 585603996 /nfs/dbraw/zinc/60/39/96/585603996.db2.gz SPUHLHJWNIZPOX-FMIVXFBMSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(CC(C)C)C1CC1 ZINC000771905123 585604049 /nfs/dbraw/zinc/60/40/49/585604049.db2.gz SPUHLHJWNIZPOX-XFXZXTDPSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCCC(C)(C)C ZINC000771905571 585604196 /nfs/dbraw/zinc/60/41/96/585604196.db2.gz WESMMOQOELTMQW-KHPPLWFESA-N 0 0 225.376 3.531 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCCC(C)(C)C ZINC000771905572 585604085 /nfs/dbraw/zinc/60/40/85/585604085.db2.gz WESMMOQOELTMQW-ZHACJKMWSA-N 0 0 225.376 3.531 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000771905778 585604050 /nfs/dbraw/zinc/60/40/50/585604050.db2.gz UZPYDCLLNMEQKP-KLOBIAMYSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000771905779 585604222 /nfs/dbraw/zinc/60/42/22/585604222.db2.gz UZPYDCLLNMEQKP-WEVJOFGFSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000771905780 585604041 /nfs/dbraw/zinc/60/40/41/585604041.db2.gz UZPYDCLLNMEQKP-ZGDCTCODSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000771905781 585604014 /nfs/dbraw/zinc/60/40/14/585604014.db2.gz UZPYDCLLNMEQKP-ZWRVYWDGSA-N 0 0 237.387 3.674 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)/C(C)=C/C(C)(C)C ZINC000771908616 585604087 /nfs/dbraw/zinc/60/40/87/585604087.db2.gz KKSRXCALYVMANQ-HCRIHEDKSA-N 0 0 225.376 3.626 20 0 BHADRN CCC[C@H](C)N(C)C(=O)/C(C)=C/C(C)(C)C ZINC000771908617 585603893 /nfs/dbraw/zinc/60/38/93/585603893.db2.gz KKSRXCALYVMANQ-IIANPFDCSA-N 0 0 225.376 3.626 20 0 BHADRN CCC[C@@H](C)N(C)C(=O)/C(C)=C\C(C)(C)C ZINC000771908618 585603906 /nfs/dbraw/zinc/60/39/06/585603906.db2.gz KKSRXCALYVMANQ-NLYDNYMLSA-N 0 0 225.376 3.626 20 0 BHADRN CCC[C@H](C)N(C)C(=O)/C(C)=C\C(C)(C)C ZINC000771908619 585603867 /nfs/dbraw/zinc/60/38/67/585603867.db2.gz KKSRXCALYVMANQ-WEHUKYGOSA-N 0 0 225.376 3.626 20 0 BHADRN CCCCN(C(=O)/C(C)=C\C(C)(C)C)C1CC1 ZINC000771914839 585604473 /nfs/dbraw/zinc/60/44/73/585604473.db2.gz IMJUQTSQRYXKHK-QXMHVHEDSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCN(C(=O)/C(C)=C/C(C)(C)C)C1CC1 ZINC000771914840 585604454 /nfs/dbraw/zinc/60/44/54/585604454.db2.gz IMJUQTSQRYXKHK-VAWYXSNFSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(CC)CN(CC)C(=O)C1(F)CCCC1 ZINC000771915426 585604318 /nfs/dbraw/zinc/60/43/18/585604318.db2.gz JESHCLFEDOAVRX-UHFFFAOYSA-N 0 0 243.366 3.553 20 0 BHADRN CC(C)(C)C(=O)OCc1cccc(F)c1Cl ZINC000771918666 585604409 /nfs/dbraw/zinc/60/44/09/585604409.db2.gz PBKQILOGEFRWSG-UHFFFAOYSA-N 0 0 244.693 3.568 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(CC1CC1)C(C)C ZINC000771923474 585604757 /nfs/dbraw/zinc/60/47/57/585604757.db2.gz XGALAPWLWUHNOW-FMIVXFBMSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(CC1CC1)C(C)C ZINC000771923476 585604686 /nfs/dbraw/zinc/60/46/86/585604686.db2.gz XGALAPWLWUHNOW-XFXZXTDPSA-N 0 0 237.387 3.626 20 0 BHADRN CCC1CCN(C(=O)/C(C)=C\C(C)(C)C)CC1 ZINC000771930833 585604513 /nfs/dbraw/zinc/60/45/13/585604513.db2.gz DJRHPQAGXOJKLG-QXMHVHEDSA-N 0 0 237.387 3.627 20 0 BHADRN CCC1CCN(C(=O)/C(C)=C/C(C)(C)C)CC1 ZINC000771930835 585604614 /nfs/dbraw/zinc/60/46/14/585604614.db2.gz DJRHPQAGXOJKLG-VAWYXSNFSA-N 0 0 237.387 3.627 20 0 BHADRN Cc1ccc2c(c1)[nH]cc2C(=O)OC1CCCC1 ZINC000771931659 585604508 /nfs/dbraw/zinc/60/45/08/585604508.db2.gz QVKIGOJOJLPHDH-UHFFFAOYSA-N 0 0 243.306 3.576 20 0 BHADRN Cc1ccc(C)c(N(C)C(=O)C2(F)CCCC2)c1 ZINC000771931925 585604979 /nfs/dbraw/zinc/60/49/79/585604979.db2.gz KLJHSUCHPIVMQF-UHFFFAOYSA-N 0 0 249.329 3.549 20 0 BHADRN Cc1cc(C)cc(N(C)C(=O)C2(F)CCCC2)c1 ZINC000771932986 585605003 /nfs/dbraw/zinc/60/50/03/585605003.db2.gz QWMJLVWATUGFCU-UHFFFAOYSA-N 0 0 249.329 3.549 20 0 BHADRN Cc1cccc(N(C)C(=O)C2(F)CCCC2)c1C ZINC000771933210 585604843 /nfs/dbraw/zinc/60/48/43/585604843.db2.gz TVJZJZCMMKBNHN-UHFFFAOYSA-N 0 0 249.329 3.549 20 0 BHADRN Cc1ccc(N(C)C(=O)C2(F)CCCC2)c(C)c1 ZINC000771933701 585604992 /nfs/dbraw/zinc/60/49/92/585604992.db2.gz YBZGWWKLFYZPML-UHFFFAOYSA-N 0 0 249.329 3.549 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)cc1C ZINC000771934038 585605049 /nfs/dbraw/zinc/60/50/49/585605049.db2.gz LXBCMTOUBPIFMG-CABCVRRESA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2C[C@H]2C(C)C)cc1C ZINC000771934042 585604995 /nfs/dbraw/zinc/60/49/95/585604995.db2.gz LXBCMTOUBPIFMG-GJZGRUSLSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)cc1C ZINC000771934046 585605056 /nfs/dbraw/zinc/60/50/56/585605056.db2.gz LXBCMTOUBPIFMG-HUUCEWRRSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)cc1C ZINC000771934050 585604961 /nfs/dbraw/zinc/60/49/61/585604961.db2.gz LXBCMTOUBPIFMG-LSDHHAIUSA-N 0 0 245.366 3.558 20 0 BHADRN Cc1ccc(N(C)C(=O)C2(F)CCCC2)cc1C ZINC000771934206 585604865 /nfs/dbraw/zinc/60/48/65/585604865.db2.gz ODQNZKIGKXCUNM-UHFFFAOYSA-N 0 0 249.329 3.549 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)Oc1cccc(F)c1 ZINC000771937537 585604937 /nfs/dbraw/zinc/60/49/37/585604937.db2.gz FYUZYSVNHCFVEQ-GFCCVEGCSA-N 0 0 236.286 3.557 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)Oc1cccc(F)c1 ZINC000771937540 585604960 /nfs/dbraw/zinc/60/49/60/585604960.db2.gz FYUZYSVNHCFVEQ-LBPRGKRZSA-N 0 0 236.286 3.557 20 0 BHADRN O=C(Oc1ccc(Cl)cc1)C1(F)CCCC1 ZINC000771937831 585604974 /nfs/dbraw/zinc/60/49/74/585604974.db2.gz HPGXVUMFKRWEFO-UHFFFAOYSA-N 0 0 242.677 3.528 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)Oc1ccccc1 ZINC000771938279 585604893 /nfs/dbraw/zinc/60/48/93/585604893.db2.gz JCQMJGMTKRUAOQ-KHPPLWFESA-N 0 0 218.296 3.584 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Oc1ccccc1 ZINC000771938287 585604938 /nfs/dbraw/zinc/60/49/38/585604938.db2.gz JCQMJGMTKRUAOQ-ZHACJKMWSA-N 0 0 218.296 3.584 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)Oc1ccccc1F ZINC000771938448 585604862 /nfs/dbraw/zinc/60/48/62/585604862.db2.gz KEELVEIQGVUKKY-JTQLQIEISA-N 0 0 238.302 3.803 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)Oc1ccccc1F ZINC000771938451 585604986 /nfs/dbraw/zinc/60/49/86/585604986.db2.gz KEELVEIQGVUKKY-SNVBAGLBSA-N 0 0 238.302 3.803 20 0 BHADRN CC(C)[C@H]1C[C@H]1C(=O)Oc1ccccc1Cl ZINC000771939281 585604896 /nfs/dbraw/zinc/60/48/96/585604896.db2.gz NHJFJBWPZJTNGN-NXEZZACHSA-N 0 0 238.714 3.538 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1C(=O)Oc1ccccc1Cl ZINC000771939283 585604947 /nfs/dbraw/zinc/60/49/47/585604947.db2.gz NHJFJBWPZJTNGN-UWVGGRQHSA-N 0 0 238.714 3.538 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)Oc1ccccc1Cl ZINC000771939284 585605044 /nfs/dbraw/zinc/60/50/44/585605044.db2.gz NHJFJBWPZJTNGN-VHSXEESVSA-N 0 0 238.714 3.538 20 0 BHADRN CC(C)[C@H]1C[C@@H]1C(=O)Oc1ccccc1Cl ZINC000771939286 585604889 /nfs/dbraw/zinc/60/48/89/585604889.db2.gz NHJFJBWPZJTNGN-ZJUUUORDSA-N 0 0 238.714 3.538 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)Oc1ccccc1F ZINC000771939353 585605027 /nfs/dbraw/zinc/60/50/27/585605027.db2.gz OBZDJQYUXTUCFH-JTQLQIEISA-N 0 0 236.286 3.557 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)Oc1ccccc1F ZINC000771939357 585604868 /nfs/dbraw/zinc/60/48/68/585604868.db2.gz OBZDJQYUXTUCFH-SNVBAGLBSA-N 0 0 236.286 3.557 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)Oc1ccc(F)cc1 ZINC000771939404 585604829 /nfs/dbraw/zinc/60/48/29/585604829.db2.gz OMSZEMFUVQZJRP-JTQLQIEISA-N 0 0 238.302 3.803 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)Oc1ccc(F)cc1 ZINC000771939408 585605196 /nfs/dbraw/zinc/60/51/96/585605196.db2.gz OMSZEMFUVQZJRP-SNVBAGLBSA-N 0 0 238.302 3.803 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)Oc1ccc(F)cc1 ZINC000771939720 585011356 /nfs/dbraw/zinc/01/13/56/585011356.db2.gz PLZLKSRWDWVIHY-GFCCVEGCSA-N 0 0 236.286 3.557 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)Oc1ccc(F)cc1 ZINC000771939726 585011433 /nfs/dbraw/zinc/01/14/33/585011433.db2.gz PLZLKSRWDWVIHY-LBPRGKRZSA-N 0 0 236.286 3.557 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC1(C)CCCCC1 ZINC000771940344 585605108 /nfs/dbraw/zinc/60/51/08/585605108.db2.gz PXVXFZGKFPLRKF-QXMHVHEDSA-N 0 0 237.387 3.818 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC1(C)CCCCC1 ZINC000771940345 585605155 /nfs/dbraw/zinc/60/51/55/585605155.db2.gz PXVXFZGKFPLRKF-VAWYXSNFSA-N 0 0 237.387 3.818 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2CCCC2(C)C)cc1 ZINC000771940362 585605129 /nfs/dbraw/zinc/60/51/29/585605129.db2.gz QIVHSFCEVBTTEN-CYBMUJFWSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1ccc(OC(=O)[C@@H]2CCCC2(C)C)cc1 ZINC000771940363 585605234 /nfs/dbraw/zinc/60/52/34/585605234.db2.gz QIVHSFCEVBTTEN-ZDUSSCGKSA-N 0 0 232.323 3.727 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)Oc1ccccc1 ZINC000771940370 585605154 /nfs/dbraw/zinc/60/51/54/585605154.db2.gz QSOYNLFIEAUDBX-LLVKDONJSA-N 0 0 220.312 3.664 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)Oc1ccccc1 ZINC000771940371 585605298 /nfs/dbraw/zinc/60/52/98/585605298.db2.gz QSOYNLFIEAUDBX-NSHDSACASA-N 0 0 220.312 3.664 20 0 BHADRN CC(C)[C@H]1C[C@@H]1C(=O)Oc1ccc(Cl)cc1 ZINC000771940422 585605285 /nfs/dbraw/zinc/60/52/85/585605285.db2.gz SMYNBKYGPKVYIQ-NEPJUHHUSA-N 0 0 238.714 3.538 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)Oc1ccc(Cl)cc1 ZINC000771940423 585605160 /nfs/dbraw/zinc/60/51/60/585605160.db2.gz SMYNBKYGPKVYIQ-NWDGAFQWSA-N 0 0 238.714 3.538 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1C(=O)Oc1ccc(Cl)cc1 ZINC000771940424 585605101 /nfs/dbraw/zinc/60/51/01/585605101.db2.gz SMYNBKYGPKVYIQ-RYUDHWBXSA-N 0 0 238.714 3.538 20 0 BHADRN CC(C)[C@H]1C[C@H]1C(=O)Oc1ccc(Cl)cc1 ZINC000771940425 585605110 /nfs/dbraw/zinc/60/51/10/585605110.db2.gz SMYNBKYGPKVYIQ-VXGBXAGGSA-N 0 0 238.714 3.538 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)Oc1cccc(F)c1 ZINC000771940442 585605094 /nfs/dbraw/zinc/60/50/94/585605094.db2.gz STWGTJFEFABTRP-JTQLQIEISA-N 0 0 238.302 3.803 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)Oc1cccc(F)c1 ZINC000771940444 585605158 /nfs/dbraw/zinc/60/51/58/585605158.db2.gz STWGTJFEFABTRP-SNVBAGLBSA-N 0 0 238.302 3.803 20 0 BHADRN O=C(Oc1ccccc1Cl)C1(F)CCCC1 ZINC000771941208 585605251 /nfs/dbraw/zinc/60/52/51/585605251.db2.gz VUFOTORKKUEXHW-UHFFFAOYSA-N 0 0 242.677 3.528 20 0 BHADRN Cc1ccc(OC(=O)[C@H](C)c2ccccc2)cc1 ZINC000771941338 585011484 /nfs/dbraw/zinc/01/14/84/585011484.db2.gz YIZPUYPKSYHYJD-CYBMUJFWSA-N 0 0 240.302 3.704 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000771941352 585011489 /nfs/dbraw/zinc/01/14/89/585011489.db2.gz YIZPUYPKSYHYJD-ZDUSSCGKSA-N 0 0 240.302 3.704 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)Oc1ccc(F)cc1 ZINC000771941576 585605316 /nfs/dbraw/zinc/60/53/16/585605316.db2.gz ZMZGEBJLHZSCEV-KTKRTIGZSA-N 0 0 236.286 3.724 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Oc1ccc(F)cc1 ZINC000771941578 585605211 /nfs/dbraw/zinc/60/52/11/585605211.db2.gz ZMZGEBJLHZSCEV-MDZDMXLPSA-N 0 0 236.286 3.724 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)Oc1cccc(F)c1 ZINC000771941601 585605092 /nfs/dbraw/zinc/60/50/92/585605092.db2.gz ZQUIXFWPOODJIQ-KTKRTIGZSA-N 0 0 236.286 3.724 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Oc1cccc(F)c1 ZINC000771941604 585605142 /nfs/dbraw/zinc/60/51/42/585605142.db2.gz ZQUIXFWPOODJIQ-MDZDMXLPSA-N 0 0 236.286 3.724 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)Oc1ccccc1F ZINC000771943755 585605243 /nfs/dbraw/zinc/60/52/43/585605243.db2.gz PAUGVERBYIUKPW-KTKRTIGZSA-N 0 0 236.286 3.724 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Oc1ccccc1F ZINC000771943757 585605262 /nfs/dbraw/zinc/60/52/62/585605262.db2.gz PAUGVERBYIUKPW-MDZDMXLPSA-N 0 0 236.286 3.724 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@@H]1C(C)C ZINC000771948371 585605352 /nfs/dbraw/zinc/60/53/52/585605352.db2.gz LAHGQVXTSBHFFZ-KXXVWKPMSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@H]1C(C)C ZINC000771948373 585605258 /nfs/dbraw/zinc/60/52/58/585605258.db2.gz LAHGQVXTSBHFFZ-RSKUSDAESA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@H]1C(C)C ZINC000771948375 585605180 /nfs/dbraw/zinc/60/51/80/585605180.db2.gz LAHGQVXTSBHFFZ-UKVQZPPCSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@H]1C(C)C ZINC000771948378 585605097 /nfs/dbraw/zinc/60/50/97/585605097.db2.gz LAHGQVXTSBHFFZ-XSNHNAGMSA-N 0 0 237.387 3.626 20 0 BHADRN CCN(C(=O)C1(F)CCCC1)c1cccc(C)c1 ZINC000771951072 585605364 /nfs/dbraw/zinc/60/53/64/585605364.db2.gz QSGULAQLTYUMFL-UHFFFAOYSA-N 0 0 249.329 3.630 20 0 BHADRN CCC[C@@H](CC)NC(=O)/C(C)=C/C(C)(C)C ZINC000771966071 585605743 /nfs/dbraw/zinc/60/57/43/585605743.db2.gz YWMPXHQHFVOLRL-HCRIHEDKSA-N 0 0 225.376 3.674 20 0 BHADRN CCC[C@H](CC)NC(=O)/C(C)=C/C(C)(C)C ZINC000771966072 585605786 /nfs/dbraw/zinc/60/57/86/585605786.db2.gz YWMPXHQHFVOLRL-IIANPFDCSA-N 0 0 225.376 3.674 20 0 BHADRN CCC[C@@H](CC)NC(=O)/C(C)=C\C(C)(C)C ZINC000771966073 585605751 /nfs/dbraw/zinc/60/57/51/585605751.db2.gz YWMPXHQHFVOLRL-NLYDNYMLSA-N 0 0 225.376 3.674 20 0 BHADRN CCC[C@H](CC)NC(=O)/C(C)=C\C(C)(C)C ZINC000771966074 585605855 /nfs/dbraw/zinc/60/58/55/585605855.db2.gz YWMPXHQHFVOLRL-WEHUKYGOSA-N 0 0 225.376 3.674 20 0 BHADRN CCN(C(=O)[C@H]1C[C@@H]1C(C)C)c1ccc(C)cc1 ZINC000771967612 585605776 /nfs/dbraw/zinc/60/57/76/585605776.db2.gz JAKKMNWEXPNQME-CABCVRRESA-N 0 0 245.366 3.640 20 0 BHADRN CCN(C(=O)[C@H]1C[C@H]1C(C)C)c1ccc(C)cc1 ZINC000771967615 585605710 /nfs/dbraw/zinc/60/57/10/585605710.db2.gz JAKKMNWEXPNQME-GJZGRUSLSA-N 0 0 245.366 3.640 20 0 BHADRN CCN(C(=O)[C@@H]1C[C@@H]1C(C)C)c1ccc(C)cc1 ZINC000771967617 585605758 /nfs/dbraw/zinc/60/57/58/585605758.db2.gz JAKKMNWEXPNQME-HUUCEWRRSA-N 0 0 245.366 3.640 20 0 BHADRN CCN(C(=O)[C@@H]1C[C@H]1C(C)C)c1ccc(C)cc1 ZINC000771967620 585605713 /nfs/dbraw/zinc/60/57/13/585605713.db2.gz JAKKMNWEXPNQME-LSDHHAIUSA-N 0 0 245.366 3.640 20 0 BHADRN CCN(C(=O)C1(F)CCCC1)c1ccc(C)cc1 ZINC000771968220 585605906 /nfs/dbraw/zinc/60/59/06/585605906.db2.gz KPASJAPGDQGLPE-UHFFFAOYSA-N 0 0 249.329 3.630 20 0 BHADRN CC[C@@H](NC(=O)C1(F)CCCC1)c1ccccc1 ZINC000771969188 585605659 /nfs/dbraw/zinc/60/56/59/585605659.db2.gz NSSSOEJTWBROIM-CYBMUJFWSA-N 0 0 249.329 3.536 20 0 BHADRN CC[C@H](NC(=O)C1(F)CCCC1)c1ccccc1 ZINC000771969189 643621176 /nfs/dbraw/zinc/62/11/76/643621176.db2.gz NSSSOEJTWBROIM-ZDUSSCGKSA-N 0 0 249.329 3.536 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@H](C)CC1 ZINC000771971595 585605716 /nfs/dbraw/zinc/60/57/16/585605716.db2.gz YZWBLGVOCUSHPB-KLDSGFLGSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@@H](C)CC1 ZINC000771971597 585605724 /nfs/dbraw/zinc/60/57/24/585605724.db2.gz YZWBLGVOCUSHPB-NPRUJURCSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@H](C)CC1 ZINC000771971599 585605674 /nfs/dbraw/zinc/60/56/74/585605674.db2.gz YZWBLGVOCUSHPB-OWRWYXLESA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@H](C)CC1 ZINC000771971602 585605696 /nfs/dbraw/zinc/60/56/96/585605696.db2.gz YZWBLGVOCUSHPB-RVROTUBLSA-N 0 0 237.387 3.627 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000771974273 585605850 /nfs/dbraw/zinc/60/58/50/585605850.db2.gz AQWOMFNRWLZNKJ-CKUBZTJDSA-N 0 0 247.382 3.594 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000771974348 585605787 /nfs/dbraw/zinc/60/57/87/585605787.db2.gz AQWOMFNRWLZNKJ-DZMRHQOWSA-N 0 0 247.382 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000771974349 585605794 /nfs/dbraw/zinc/60/57/94/585605794.db2.gz AQWOMFNRWLZNKJ-MFKHHGGISA-N 0 0 247.382 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000771974350 585605780 /nfs/dbraw/zinc/60/57/80/585605780.db2.gz AQWOMFNRWLZNKJ-UMCGJRNNSA-N 0 0 247.382 3.594 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)CC1CCCC1 ZINC000771976702 585605828 /nfs/dbraw/zinc/60/58/28/585605828.db2.gz YOSHYHNWOWVYNT-BENRWUELSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)CC1CCCC1 ZINC000771976705 585605916 /nfs/dbraw/zinc/60/59/16/585605916.db2.gz YOSHYHNWOWVYNT-ZRDIBKRKSA-N 0 0 237.387 3.627 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2CCCC2(C)C)cc1 ZINC000771993999 585606459 /nfs/dbraw/zinc/60/64/59/585606459.db2.gz PXQLIXHQIFZPRD-AWEZNQCLSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2CCCC2(C)C)cc1 ZINC000771994000 585606500 /nfs/dbraw/zinc/60/65/00/585606500.db2.gz PXQLIXHQIFZPRD-CQSZACIVSA-N 0 0 245.366 3.784 20 0 BHADRN CCCCCCNC(=O)c1ccc(C(C)C)nc1 ZINC000772000542 585606731 /nfs/dbraw/zinc/60/67/31/585606731.db2.gz YRNZGIDVXVQJSD-UHFFFAOYSA-N 0 0 248.370 3.515 20 0 BHADRN CCC(CC)(CC)C(=O)OCc1ncccc1C ZINC000772005204 585606607 /nfs/dbraw/zinc/60/66/07/585606607.db2.gz TYRJNBUWBXGJKJ-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN CC(C)c1ccc(C(=O)OC2CCCCC2)cn1 ZINC000772007233 585606858 /nfs/dbraw/zinc/60/68/58/585606858.db2.gz HRQDVVPWWGYZKU-UHFFFAOYSA-N 0 0 247.338 3.695 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC(C)(C)CC1 ZINC000772008842 585606952 /nfs/dbraw/zinc/60/69/52/585606952.db2.gz BPCQTIHZMZQLMC-QXMHVHEDSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC(C)(C)CC1 ZINC000772008847 585606832 /nfs/dbraw/zinc/60/68/32/585606832.db2.gz BPCQTIHZMZQLMC-VAWYXSNFSA-N 0 0 237.387 3.627 20 0 BHADRN CCN(Cc1ccoc1)C(=O)/C(C)=C/C(C)(C)C ZINC000772009612 585606962 /nfs/dbraw/zinc/60/69/62/585606962.db2.gz IOYUIZHMLOXUAC-FMIVXFBMSA-N 0 0 249.354 3.621 20 0 BHADRN CCN(Cc1ccoc1)C(=O)/C(C)=C\C(C)(C)C ZINC000772009613 585606845 /nfs/dbraw/zinc/60/68/45/585606845.db2.gz IOYUIZHMLOXUAC-XFXZXTDPSA-N 0 0 249.354 3.621 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(CC(C)C)C(C)C ZINC000772012311 585606846 /nfs/dbraw/zinc/60/68/46/585606846.db2.gz HVJFQKMKFGJIQO-LCYFTJDESA-N 0 0 239.403 3.872 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(CC(C)C)C(C)C ZINC000772012312 585606864 /nfs/dbraw/zinc/60/68/64/585606864.db2.gz HVJFQKMKFGJIQO-UKTHLTGXSA-N 0 0 239.403 3.872 20 0 BHADRN CCCCCCC(=O)OCc1ccc(C)nc1C ZINC000772016236 585607008 /nfs/dbraw/zinc/60/70/08/585607008.db2.gz CHLRVIZMOOYPCZ-UHFFFAOYSA-N 0 0 249.354 3.712 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC(C)(C)C(C)C ZINC000772018808 585606891 /nfs/dbraw/zinc/60/68/91/585606891.db2.gz AQXCKPOLHIGCNA-LUAWRHEFSA-N 0 0 225.376 3.530 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC(C)(C)C(C)C ZINC000772018809 585606974 /nfs/dbraw/zinc/60/69/74/585606974.db2.gz AQXCKPOLHIGCNA-PKNBQFBNSA-N 0 0 225.376 3.530 20 0 BHADRN CC(C)(C)CCCCNC(=O)C1(F)CCCC1 ZINC000772023206 585607231 /nfs/dbraw/zinc/60/72/31/585607231.db2.gz HHLWMJCNYHUMQB-UHFFFAOYSA-N 0 0 243.366 3.601 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000772025480 585607153 /nfs/dbraw/zinc/60/71/53/585607153.db2.gz XRIFNHBMUBHCHR-GCZGRYASSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@H]1C1CCC1 ZINC000772025484 585607287 /nfs/dbraw/zinc/60/72/87/585607287.db2.gz XRIFNHBMUBHCHR-GETOMWPZSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@H]1C1CCC1 ZINC000772025487 585607167 /nfs/dbraw/zinc/60/71/67/585607167.db2.gz XRIFNHBMUBHCHR-NYHXXUGCSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000772025490 585607191 /nfs/dbraw/zinc/60/71/91/585607191.db2.gz XRIFNHBMUBHCHR-XMXAVACDSA-N 0 0 249.398 3.770 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCc1ncccc1C ZINC000772029570 585607228 /nfs/dbraw/zinc/60/72/28/585607228.db2.gz LZWSPSRRZOWLOC-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCc1ncccc1C ZINC000772029572 585607066 /nfs/dbraw/zinc/60/70/66/585607066.db2.gz LZWSPSRRZOWLOC-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)CNC(=O)/C(C)=C\C(C)(C)C ZINC000772035245 585607440 /nfs/dbraw/zinc/60/74/40/585607440.db2.gz ZNIFRWNPUHTDJH-LUAWRHEFSA-N 0 0 225.376 3.531 20 0 BHADRN CCC(CC)CNC(=O)/C(C)=C/C(C)(C)C ZINC000772035248 585607306 /nfs/dbraw/zinc/60/73/06/585607306.db2.gz ZNIFRWNPUHTDJH-PKNBQFBNSA-N 0 0 225.376 3.531 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCC1(C)CCCC1 ZINC000772042911 585607460 /nfs/dbraw/zinc/60/74/60/585607460.db2.gz OTYMQMDGAMQTMR-BENRWUELSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCC1(C)CCCC1 ZINC000772042912 585607319 /nfs/dbraw/zinc/60/73/19/585607319.db2.gz OTYMQMDGAMQTMR-ZRDIBKRKSA-N 0 0 237.387 3.675 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000772044068 585607335 /nfs/dbraw/zinc/60/73/35/585607335.db2.gz MPUWSNCNFVXENA-HNDWPLSKSA-N 0 0 237.387 3.768 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000772044070 585012506 /nfs/dbraw/zinc/01/25/06/585012506.db2.gz MPUWSNCNFVXENA-HRFIDBLHSA-N 0 0 237.387 3.768 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000772044089 585012542 /nfs/dbraw/zinc/01/25/42/585012542.db2.gz MPUWSNCNFVXENA-QVDRPMGRSA-N 0 0 237.387 3.768 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000772045668 585012659 /nfs/dbraw/zinc/01/26/59/585012659.db2.gz XOEZBORFAZHKNB-CIGWVICQSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000772045675 585012699 /nfs/dbraw/zinc/01/26/99/585012699.db2.gz XOEZBORFAZHKNB-VEHXCMFHSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCCC(C)(C)C1 ZINC000772055509 585607849 /nfs/dbraw/zinc/60/78/49/585607849.db2.gz XARCAMYNHCQZNA-BENRWUELSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCCC(C)(C)C1 ZINC000772055510 585607685 /nfs/dbraw/zinc/60/76/85/585607685.db2.gz XARCAMYNHCQZNA-ZRDIBKRKSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC[C@@H](C)C(C)(C)C ZINC000772065193 585608101 /nfs/dbraw/zinc/60/81/01/585608101.db2.gz HQWZKPIHGAJCTQ-LMMOQWNQSA-N 0 0 239.403 3.777 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC[C@H](C)C(C)(C)C ZINC000772065195 585607948 /nfs/dbraw/zinc/60/79/48/585607948.db2.gz HQWZKPIHGAJCTQ-MMRAYRKESA-N 0 0 239.403 3.777 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC[C@@H](C)C(C)(C)C ZINC000772065196 585607935 /nfs/dbraw/zinc/60/79/35/585607935.db2.gz HQWZKPIHGAJCTQ-UCQJPZFISA-N 0 0 239.403 3.777 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC[C@H](C)C(C)(C)C ZINC000772065198 585608072 /nfs/dbraw/zinc/60/80/72/585608072.db2.gz HQWZKPIHGAJCTQ-ZKQHCESOSA-N 0 0 239.403 3.777 20 0 BHADRN CCC[C@@H](C)CC(=O)OCc1ccc(C)nc1C ZINC000772065527 585607928 /nfs/dbraw/zinc/60/79/28/585607928.db2.gz IWTBLOFUVJXALP-LLVKDONJSA-N 0 0 249.354 3.568 20 0 BHADRN CCC[C@H](C)CC(=O)OCc1ccc(C)nc1C ZINC000772065529 585608011 /nfs/dbraw/zinc/60/80/11/585608011.db2.gz IWTBLOFUVJXALP-NSHDSACASA-N 0 0 249.354 3.568 20 0 BHADRN C[C@H](CNC(=O)[C@@H]1CCCC1(C)C)C(C)(C)C ZINC000772065668 585608055 /nfs/dbraw/zinc/60/80/55/585608055.db2.gz MABQOANBGKKFOU-NEPJUHHUSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H](CNC(=O)[C@H]1CCCC1(C)C)C(C)(C)C ZINC000772065669 585607713 /nfs/dbraw/zinc/60/77/13/585607713.db2.gz MABQOANBGKKFOU-NWDGAFQWSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@@H](CNC(=O)[C@@H]1CCCC1(C)C)C(C)(C)C ZINC000772065670 585607777 /nfs/dbraw/zinc/60/77/77/585607777.db2.gz MABQOANBGKKFOU-RYUDHWBXSA-N 0 0 239.403 3.611 20 0 BHADRN C[C@H](CNC(=O)[C@H]1CCCC1(C)C)C(C)(C)C ZINC000772065671 585607678 /nfs/dbraw/zinc/60/76/78/585607678.db2.gz MABQOANBGKKFOU-VXGBXAGGSA-N 0 0 239.403 3.611 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(CC1CC1)CC1CC1 ZINC000772066569 585608005 /nfs/dbraw/zinc/60/80/05/585608005.db2.gz XNRWXANRDIZRFM-FMIVXFBMSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(CC1CC1)CC1CC1 ZINC000772066570 585608062 /nfs/dbraw/zinc/60/80/62/585608062.db2.gz XNRWXANRDIZRFM-XFXZXTDPSA-N 0 0 249.398 3.627 20 0 BHADRN C[C@@H](C(=O)NC[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000772067191 585608092 /nfs/dbraw/zinc/60/80/92/585608092.db2.gz WECZJDMEBYFKSB-CHWSQXEVSA-N 0 0 247.382 3.589 20 0 BHADRN C[C@H](CNC(=O)[C@@H](C)c1ccccc1)C(C)(C)C ZINC000772067192 585608083 /nfs/dbraw/zinc/60/80/83/585608083.db2.gz WECZJDMEBYFKSB-OLZOCXBDSA-N 0 0 247.382 3.589 20 0 BHADRN C[C@@H](CNC(=O)[C@H](C)c1ccccc1)C(C)(C)C ZINC000772067193 585607959 /nfs/dbraw/zinc/60/79/59/585607959.db2.gz WECZJDMEBYFKSB-QWHCGFSZSA-N 0 0 247.382 3.589 20 0 BHADRN C[C@@H](CNC(=O)[C@@H](C)c1ccccc1)C(C)(C)C ZINC000772067195 585607953 /nfs/dbraw/zinc/60/79/53/585607953.db2.gz WECZJDMEBYFKSB-STQMWFEESA-N 0 0 247.382 3.589 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000772068044 585608086 /nfs/dbraw/zinc/60/80/86/585608086.db2.gz IITJSMNGTLXROD-HCRIHEDKSA-N 0 0 239.403 3.872 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000772068045 585607957 /nfs/dbraw/zinc/60/79/57/585607957.db2.gz IITJSMNGTLXROD-IIANPFDCSA-N 0 0 239.403 3.872 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000772068046 585607936 /nfs/dbraw/zinc/60/79/36/585607936.db2.gz IITJSMNGTLXROD-NLYDNYMLSA-N 0 0 239.403 3.872 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000772068047 585607965 /nfs/dbraw/zinc/60/79/65/585607965.db2.gz IITJSMNGTLXROD-WEHUKYGOSA-N 0 0 239.403 3.872 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCCCC[C@@H]1C ZINC000772068745 585607682 /nfs/dbraw/zinc/60/76/82/585607682.db2.gz XZGNNCUAVNNRKW-HHQWOOOKSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCCCC[C@H]1C ZINC000772068746 585607807 /nfs/dbraw/zinc/60/78/07/585607807.db2.gz XZGNNCUAVNNRKW-XZHRJIJLSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCCCC[C@H]1C ZINC000772068747 585607793 /nfs/dbraw/zinc/60/77/93/585607793.db2.gz XZGNNCUAVNNRKW-YLGBQOPLSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCCCC[C@@H]1C ZINC000772068748 585607614 /nfs/dbraw/zinc/60/76/14/585607614.db2.gz XZGNNCUAVNNRKW-YLSINNKHSA-N 0 0 237.387 3.770 20 0 BHADRN C[C@H](CCC(C)(C)C)NC(=O)C1(F)CCCC1 ZINC000772074209 585608094 /nfs/dbraw/zinc/60/80/94/585608094.db2.gz DYQABOPKPUNYEL-LLVKDONJSA-N 0 0 243.366 3.600 20 0 BHADRN C[C@@H](CCC(C)(C)C)NC(=O)C1(F)CCCC1 ZINC000772074211 585608019 /nfs/dbraw/zinc/60/80/19/585608019.db2.gz DYQABOPKPUNYEL-NSHDSACASA-N 0 0 243.366 3.600 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCCCC(C)(C)C ZINC000772089273 585608121 /nfs/dbraw/zinc/60/81/21/585608121.db2.gz BMEYVCYAHJMWGZ-QXMHVHEDSA-N 0 0 239.403 3.921 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCCCC(C)(C)C ZINC000772089277 585608321 /nfs/dbraw/zinc/60/83/21/585608321.db2.gz BMEYVCYAHJMWGZ-VAWYXSNFSA-N 0 0 239.403 3.921 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000772091916 585608437 /nfs/dbraw/zinc/60/84/37/585608437.db2.gz PWPSDDFKMKCEJG-IPLAKBNRSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000772091918 585608399 /nfs/dbraw/zinc/60/83/99/585608399.db2.gz PWPSDDFKMKCEJG-UYVMEVJISA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000772091919 585608501 /nfs/dbraw/zinc/60/85/01/585608501.db2.gz PWPSDDFKMKCEJG-WEVJOFGFSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000772091920 585608168 /nfs/dbraw/zinc/60/81/68/585608168.db2.gz PWPSDDFKMKCEJG-ZWRVYWDGSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C1CC1)C1CCCC1 ZINC000772095103 585608414 /nfs/dbraw/zinc/60/84/14/585608414.db2.gz IDFHEYPMZSIBCR-QXMHVHEDSA-N 0 0 249.398 3.912 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C1CC1)C1CCCC1 ZINC000772095107 585608335 /nfs/dbraw/zinc/60/83/35/585608335.db2.gz IDFHEYPMZSIBCR-VAWYXSNFSA-N 0 0 249.398 3.912 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000772096636 585608548 /nfs/dbraw/zinc/60/85/48/585608548.db2.gz KHKFOPSWHGVHQF-BFPJXGRPSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000772096638 585608382 /nfs/dbraw/zinc/60/83/82/585608382.db2.gz KHKFOPSWHGVHQF-CYUAOAIUSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000772096640 585608532 /nfs/dbraw/zinc/60/85/32/585608532.db2.gz KHKFOPSWHGVHQF-GHYUOPHCSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000772096642 585608465 /nfs/dbraw/zinc/60/84/65/585608465.db2.gz KHKFOPSWHGVHQF-HFOMYUCASA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1C2CCCC1CCC2 ZINC000772106357 585608334 /nfs/dbraw/zinc/60/83/34/585608334.db2.gz QOEVDNXHZNXXCE-QXMHVHEDSA-N 0 0 249.398 3.912 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1C2CCCC1CCC2 ZINC000772106359 585608418 /nfs/dbraw/zinc/60/84/18/585608418.db2.gz QOEVDNXHZNXXCE-VAWYXSNFSA-N 0 0 249.398 3.912 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)/C(C)=C/C(C)(C)C ZINC000772108770 585608668 /nfs/dbraw/zinc/60/86/68/585608668.db2.gz IQGOUXFHWJDMLB-IPLAKBNRSA-N 0 0 239.403 3.920 20 0 BHADRN CC[C@H](C)C[C@H](C)NC(=O)/C(C)=C\C(C)(C)C ZINC000772108771 585608747 /nfs/dbraw/zinc/60/87/47/585608747.db2.gz IQGOUXFHWJDMLB-UYVMEVJISA-N 0 0 239.403 3.920 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)/C(C)=C\C(C)(C)C ZINC000772108772 585608760 /nfs/dbraw/zinc/60/87/60/585608760.db2.gz IQGOUXFHWJDMLB-WEVJOFGFSA-N 0 0 239.403 3.920 20 0 BHADRN CC[C@H](C)C[C@@H](C)NC(=O)/C(C)=C/C(C)(C)C ZINC000772108773 585608593 /nfs/dbraw/zinc/60/85/93/585608593.db2.gz IQGOUXFHWJDMLB-ZWRVYWDGSA-N 0 0 239.403 3.920 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCC2(CCCC2)C1 ZINC000772109157 585608782 /nfs/dbraw/zinc/60/87/82/585608782.db2.gz ISMVUVHJSOBDGJ-ACCUITESSA-N 0 0 249.398 3.772 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCC2(CCCC2)C1 ZINC000772109158 585608567 /nfs/dbraw/zinc/60/85/67/585608567.db2.gz ISMVUVHJSOBDGJ-QBFSEMIESA-N 0 0 249.398 3.772 20 0 BHADRN CC[C@@H]1C[C@H](C)CN1C(=O)/C(C)=C/C(C)(C)C ZINC000772109747 585608619 /nfs/dbraw/zinc/60/86/19/585608619.db2.gz IYVRKGOJSZNOMA-BBLQWXAZSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1C[C@@H](C)CN1C(=O)/C(C)=C\C(C)(C)C ZINC000772109748 585608715 /nfs/dbraw/zinc/60/87/15/585608715.db2.gz IYVRKGOJSZNOMA-BIIGBYBUSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1C[C@H](C)CN1C(=O)/C(C)=C\C(C)(C)C ZINC000772109749 585608698 /nfs/dbraw/zinc/60/86/98/585608698.db2.gz IYVRKGOJSZNOMA-FTNLVMBUSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1C[C@@H](C)CN1C(=O)/C(C)=C/C(C)(C)C ZINC000772109750 585608373 /nfs/dbraw/zinc/60/83/73/585608373.db2.gz IYVRKGOJSZNOMA-YBUYXDSISA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCC(C1CC1)C1CC1 ZINC000772111944 585608587 /nfs/dbraw/zinc/60/85/87/585608587.db2.gz BSIARIDOFXQGGT-LUAWRHEFSA-N 0 0 249.398 3.531 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCC(C1CC1)C1CC1 ZINC000772111946 585608627 /nfs/dbraw/zinc/60/86/27/585608627.db2.gz BSIARIDOFXQGGT-PKNBQFBNSA-N 0 0 249.398 3.531 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000772114477 585608604 /nfs/dbraw/zinc/60/86/04/585608604.db2.gz OEVNOSNFEMUASR-BIIGBYBUSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000772114478 585608660 /nfs/dbraw/zinc/60/86/60/585608660.db2.gz OEVNOSNFEMUASR-RGXVFGMQSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000772114479 585608703 /nfs/dbraw/zinc/60/87/03/585608703.db2.gz OEVNOSNFEMUASR-YBUYXDSISA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000772114480 585608699 /nfs/dbraw/zinc/60/86/99/585608699.db2.gz OEVNOSNFEMUASR-YURTZEIPSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1C[C@@H](C)CC1(C)C ZINC000772123539 585608400 /nfs/dbraw/zinc/60/84/00/585608400.db2.gz SCVMBULEEXZNHK-AWPPVZKDSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1C[C@H](C)CC1(C)C ZINC000772123542 585608411 /nfs/dbraw/zinc/60/84/11/585608411.db2.gz SCVMBULEEXZNHK-LWMMSDEHSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1C[C@@H](C)CC1(C)C ZINC000772123543 585608419 /nfs/dbraw/zinc/60/84/19/585608419.db2.gz SCVMBULEEXZNHK-UTEVDWOZSA-N 0 0 237.387 3.626 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1C[C@H](C)CC1(C)C ZINC000772123545 585608515 /nfs/dbraw/zinc/60/85/15/585608515.db2.gz SCVMBULEEXZNHK-ZGSOTFDTSA-N 0 0 237.387 3.626 20 0 BHADRN CCCc1ccccc1NC(=O)C1(F)CCCC1 ZINC000772136559 585609258 /nfs/dbraw/zinc/60/92/58/585609258.db2.gz KRAUWSKOGQDCHR-UHFFFAOYSA-N 0 0 249.329 3.860 20 0 BHADRN CCCC[C@@H](CCC)NC(=O)C1(F)CCCC1 ZINC000772136758 585609101 /nfs/dbraw/zinc/60/91/01/585609101.db2.gz TZCRBEHWRGGKDW-GFCCVEGCSA-N 0 0 243.366 3.744 20 0 BHADRN CCCC[C@H](CCC)NC(=O)C1(F)CCCC1 ZINC000772136759 585609139 /nfs/dbraw/zinc/60/91/39/585609139.db2.gz TZCRBEHWRGGKDW-LBPRGKRZSA-N 0 0 243.366 3.744 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000772137897 585013665 /nfs/dbraw/zinc/01/36/65/585013665.db2.gz RZUCAYGJWCZYAY-BHBDMTODSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000772137899 585013677 /nfs/dbraw/zinc/01/36/77/585013677.db2.gz RZUCAYGJWCZYAY-IRBPBCMDSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000772137905 585013662 /nfs/dbraw/zinc/01/36/62/585013662.db2.gz RZUCAYGJWCZYAY-JVGGDYBHSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000772137906 585013640 /nfs/dbraw/zinc/01/36/40/585013640.db2.gz RZUCAYGJWCZYAY-ZJTSMVRJSA-N 0 0 249.398 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CCCC1(C)C ZINC000772138474 585609116 /nfs/dbraw/zinc/60/91/16/585609116.db2.gz VNPZLZFHICUPMZ-HCRIHEDKSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@H]1CCCC1(C)C ZINC000772138476 585608993 /nfs/dbraw/zinc/60/89/93/585608993.db2.gz VNPZLZFHICUPMZ-IIANPFDCSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCCC1(C)C ZINC000772138477 585609006 /nfs/dbraw/zinc/60/90/06/585609006.db2.gz VNPZLZFHICUPMZ-NLYDNYMLSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@H]1CCCC1(C)C ZINC000772138478 585608893 /nfs/dbraw/zinc/60/88/93/585608893.db2.gz VNPZLZFHICUPMZ-WEHUKYGOSA-N 0 0 237.387 3.674 20 0 BHADRN CCCCCCOC(=O)C=C1CCSCC1 ZINC000772142456 585609057 /nfs/dbraw/zinc/60/90/57/585609057.db2.gz QBPHFKDIUNKBOD-UHFFFAOYSA-N 0 0 242.384 3.563 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCC1(C(C)C)CC1 ZINC000772142772 585609045 /nfs/dbraw/zinc/60/90/45/585609045.db2.gz LMAKQOIYZNSAFC-FMIVXFBMSA-N 0 0 237.387 3.531 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCC1(C(C)C)CC1 ZINC000772142774 585609246 /nfs/dbraw/zinc/60/92/46/585609246.db2.gz LMAKQOIYZNSAFC-XFXZXTDPSA-N 0 0 237.387 3.531 20 0 BHADRN CCC1(CNC(=O)/C(C)=C\C(C)(C)C)CCC1 ZINC000772145299 585609053 /nfs/dbraw/zinc/60/90/53/585609053.db2.gz XWUNBKGEALSBEO-BENRWUELSA-N 0 0 237.387 3.675 20 0 BHADRN CCC1(CNC(=O)/C(C)=C/C(C)(C)C)CCC1 ZINC000772145300 585609117 /nfs/dbraw/zinc/60/91/17/585609117.db2.gz XWUNBKGEALSBEO-ZRDIBKRKSA-N 0 0 237.387 3.675 20 0 BHADRN CCC(CC)(CC)CNC(=O)C1(F)CCCC1 ZINC000772152220 585609286 /nfs/dbraw/zinc/60/92/86/585609286.db2.gz AZVSMTVVGSWQQT-UHFFFAOYSA-N 0 0 243.366 3.601 20 0 BHADRN CC[C@]1(C)CCN(C(=O)/C(C)=C/C(C)(C)C)C1 ZINC000772153731 585609292 /nfs/dbraw/zinc/60/92/92/585609292.db2.gz HICZACAKTMWUPA-HBIYDYFMSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@]1(C)CCN(C(=O)/C(C)=C\C(C)(C)C)C1 ZINC000772153733 585609298 /nfs/dbraw/zinc/60/92/98/585609298.db2.gz HICZACAKTMWUPA-KUGGDMIFSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@@]1(C)CCN(C(=O)/C(C)=C/C(C)(C)C)C1 ZINC000772153735 585609259 /nfs/dbraw/zinc/60/92/59/585609259.db2.gz HICZACAKTMWUPA-PABFRNLHSA-N 0 0 237.387 3.627 20 0 BHADRN CC[C@@]1(C)CCN(C(=O)/C(C)=C\C(C)(C)C)C1 ZINC000772153738 585609307 /nfs/dbraw/zinc/60/93/07/585609307.db2.gz HICZACAKTMWUPA-WQTVUKCASA-N 0 0 237.387 3.627 20 0 BHADRN CCC(C)(C)CC(=O)OCc1ccc(C)nc1C ZINC000772167257 585609333 /nfs/dbraw/zinc/60/93/33/585609333.db2.gz VPWBASDCGJURRO-UHFFFAOYSA-N 0 0 249.354 3.568 20 0 BHADRN Cc1ccc(N(C)Cc2ncccc2C)c(C)c1 ZINC000772173614 585609450 /nfs/dbraw/zinc/60/94/50/585609450.db2.gz CQBFCNWIVHAZSP-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1ccc(N(C)Cc2ncccc2C)cc1C ZINC000772173657 585609551 /nfs/dbraw/zinc/60/95/51/585609551.db2.gz CZLUGUHXDDFGTO-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1cnc(CN(C)c2ccc(C)c(C)c2)s1 ZINC000772176344 585609457 /nfs/dbraw/zinc/60/94/57/585609457.db2.gz XCKNLDZMPFPXMA-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)Nc1cc(C)cc(C)n1 ZINC000772185915 585609796 /nfs/dbraw/zinc/60/97/96/585609796.db2.gz JZDIMXKUYKEFAL-LUAWRHEFSA-N 0 0 246.354 3.629 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Nc1cc(C)cc(C)n1 ZINC000772185917 585609722 /nfs/dbraw/zinc/60/97/22/585609722.db2.gz JZDIMXKUYKEFAL-PKNBQFBNSA-N 0 0 246.354 3.629 20 0 BHADRN CCC(CC)CC(=O)OCc1ccc(C)nc1C ZINC000772187543 585609636 /nfs/dbraw/zinc/60/96/36/585609636.db2.gz KIMFWANXOCDQEX-UHFFFAOYSA-N 0 0 249.354 3.568 20 0 BHADRN CCN(Cc1ncccc1C)c1ccc(C)cc1 ZINC000772199948 585609912 /nfs/dbraw/zinc/60/99/12/585609912.db2.gz KCWNHBYCCILSTA-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN CCN(Cc1ncc(C)s1)c1cccc(C)c1 ZINC000772203171 585610043 /nfs/dbraw/zinc/61/00/43/585610043.db2.gz VAMVYPYRZZDBHJ-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CCN(Cc1ncc(C)s1)c1ccc(C)cc1 ZINC000772203184 585610099 /nfs/dbraw/zinc/61/00/99/585610099.db2.gz VWCDIYQBIFLIFR-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)/C(C)=C/C(C)(C)C ZINC000772210452 585610116 /nfs/dbraw/zinc/61/01/16/585610116.db2.gz AWKWRNJYMNAZJM-HRFIDBLHSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C(C)=C/C(C)(C)C ZINC000772210453 585610135 /nfs/dbraw/zinc/61/01/35/585610135.db2.gz AWKWRNJYMNAZJM-LZBRBDLSSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)/C(C)=C\C(C)(C)C ZINC000772210455 585610122 /nfs/dbraw/zinc/61/01/22/585610122.db2.gz AWKWRNJYMNAZJM-QVDRPMGRSA-N 0 0 237.387 3.768 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)/C(C)=C\C(C)(C)C ZINC000772210457 585610027 /nfs/dbraw/zinc/61/00/27/585610027.db2.gz AWKWRNJYMNAZJM-SENBOFQLSA-N 0 0 237.387 3.768 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000772211497 585610017 /nfs/dbraw/zinc/61/00/17/585610017.db2.gz IRIJNAXVFVQEMU-LMMOQWNQSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000772211498 585610042 /nfs/dbraw/zinc/61/00/42/585610042.db2.gz IRIJNAXVFVQEMU-MMRAYRKESA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000772211499 585609913 /nfs/dbraw/zinc/60/99/13/585609913.db2.gz IRIJNAXVFVQEMU-UCQJPZFISA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000772211500 585610126 /nfs/dbraw/zinc/61/01/26/585610126.db2.gz IRIJNAXVFVQEMU-ZKQHCESOSA-N 0 0 237.387 3.674 20 0 BHADRN O=C(Nc1ccc(C2CC2)cc1)C1(F)CCCC1 ZINC000772211754 585609982 /nfs/dbraw/zinc/60/99/82/585609982.db2.gz JXQYSKVEJWSRBK-UHFFFAOYSA-N 0 0 247.313 3.785 20 0 BHADRN Cc1ccc(Cl)c(N2CCCC[C@H](C)C2)n1 ZINC000772213772 585610189 /nfs/dbraw/zinc/61/01/89/585610189.db2.gz SWLFOCVDAXQHMR-JTQLQIEISA-N 0 0 238.762 3.670 20 0 BHADRN Cc1ccc(Cl)c(N2CCCC[C@@H](C)C2)n1 ZINC000772213812 585610321 /nfs/dbraw/zinc/61/03/21/585610321.db2.gz SWLFOCVDAXQHMR-SNVBAGLBSA-N 0 0 238.762 3.670 20 0 BHADRN CCc1ccc(NC(=O)C2(F)CCCC2)cc1C ZINC000772216395 585610354 /nfs/dbraw/zinc/61/03/54/585610354.db2.gz QSYOTHHFGIJKFC-UHFFFAOYSA-N 0 0 249.329 3.778 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000772217147 585610285 /nfs/dbraw/zinc/61/02/85/585610285.db2.gz ZOBFKUARQLPLNS-KXXVWKPMSA-N 0 0 249.398 3.818 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000772217148 585610212 /nfs/dbraw/zinc/61/02/12/585610212.db2.gz ZOBFKUARQLPLNS-RSKUSDAESA-N 0 0 249.398 3.818 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@H]1CC12CCCCC2 ZINC000772217149 585610219 /nfs/dbraw/zinc/61/02/19/585610219.db2.gz ZOBFKUARQLPLNS-UKVQZPPCSA-N 0 0 249.398 3.818 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@H]1CC12CCCCC2 ZINC000772217150 585610328 /nfs/dbraw/zinc/61/03/28/585610328.db2.gz ZOBFKUARQLPLNS-XSNHNAGMSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)c1cccc(CNc2cccc(F)n2)c1 ZINC000772230550 585610577 /nfs/dbraw/zinc/61/05/77/585610577.db2.gz HKZXPXQARMSBJU-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN CCc1cc(NC(=O)C2(F)CCCC2)ccc1C ZINC000772233047 585610508 /nfs/dbraw/zinc/61/05/08/585610508.db2.gz YAIARIAJQNYMCV-UHFFFAOYSA-N 0 0 249.329 3.778 20 0 BHADRN CCN(C(=O)C1(F)CCCC1)c1ccccc1C ZINC000772236464 585610701 /nfs/dbraw/zinc/61/07/01/585610701.db2.gz SMASDPYATRXKEB-UHFFFAOYSA-N 0 0 249.329 3.630 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000772243598 585610677 /nfs/dbraw/zinc/61/06/77/585610677.db2.gz INPHWDGDHDQCET-CMPYXILNSA-N 0 0 249.398 3.794 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000772243599 585610748 /nfs/dbraw/zinc/61/07/48/585610748.db2.gz INPHWDGDHDQCET-FZDNWWAKSA-N 0 0 249.398 3.794 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000772243600 585610847 /nfs/dbraw/zinc/61/08/47/585610847.db2.gz INPHWDGDHDQCET-YBEMTRGBSA-N 0 0 249.398 3.794 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000772243601 585610799 /nfs/dbraw/zinc/61/07/99/585610799.db2.gz INPHWDGDHDQCET-YPDDLIOESA-N 0 0 249.398 3.794 20 0 BHADRN CC(C)C(C)(C)SCC(=O)C1CCC1 ZINC000772244281 585610722 /nfs/dbraw/zinc/61/07/22/585610722.db2.gz JBPOLKDKTALTRJ-UHFFFAOYSA-N 0 0 214.374 3.523 20 0 BHADRN CC(C)Oc1ccc(CSc2ncco2)cc1 ZINC000772247636 585610925 /nfs/dbraw/zinc/61/09/25/585610925.db2.gz OZMWKDDKRUQSNL-UHFFFAOYSA-N 0 0 249.335 3.754 20 0 BHADRN Cc1cc(Cl)ccc1CSc1ncco1 ZINC000772250533 585611015 /nfs/dbraw/zinc/61/10/15/585611015.db2.gz JCIABUWHPWTAAZ-UHFFFAOYSA-N 0 0 239.727 3.929 20 0 BHADRN CCCCCOc1ccc2c(c1)OC(=O)C[C@H]2C ZINC000772250874 585611011 /nfs/dbraw/zinc/61/10/11/585611011.db2.gz KGESWTOYAWPCOJ-LLVKDONJSA-N 0 0 248.322 3.668 20 0 BHADRN CCCCCOc1ccc2c(c1)OC(=O)C[C@@H]2C ZINC000772250875 585610926 /nfs/dbraw/zinc/61/09/26/585610926.db2.gz KGESWTOYAWPCOJ-NSHDSACASA-N 0 0 248.322 3.668 20 0 BHADRN c1coc(SCCSc2ccccc2)n1 ZINC000772250876 585610924 /nfs/dbraw/zinc/61/09/24/585610924.db2.gz KHGXKBKAOPOQDA-UHFFFAOYSA-N 0 0 237.349 3.559 20 0 BHADRN CC(C)CCOc1ccc2c(c1)OC(=O)C[C@H]2C ZINC000772251776 585610935 /nfs/dbraw/zinc/61/09/35/585610935.db2.gz GHYXZKNAGFFGOQ-LLVKDONJSA-N 0 0 248.322 3.524 20 0 BHADRN CC(C)CCOc1ccc2c(c1)OC(=O)C[C@@H]2C ZINC000772251778 585610912 /nfs/dbraw/zinc/61/09/12/585610912.db2.gz GHYXZKNAGFFGOQ-NSHDSACASA-N 0 0 248.322 3.524 20 0 BHADRN CC[C@@H](C)COc1ccc2c(c1)OC(=O)C[C@H]2C ZINC000772254361 585611080 /nfs/dbraw/zinc/61/10/80/585611080.db2.gz NTHLHTDXKQYYHP-GHMZBOCLSA-N 0 0 248.322 3.524 20 0 BHADRN CC[C@@H](C)COc1ccc2c(c1)OC(=O)C[C@@H]2C ZINC000772254363 585610914 /nfs/dbraw/zinc/61/09/14/585610914.db2.gz NTHLHTDXKQYYHP-MNOVXSKESA-N 0 0 248.322 3.524 20 0 BHADRN CC[C@H](C)COc1ccc2c(c1)OC(=O)C[C@@H]2C ZINC000772254365 585611020 /nfs/dbraw/zinc/61/10/20/585611020.db2.gz NTHLHTDXKQYYHP-QWRGUYRKSA-N 0 0 248.322 3.524 20 0 BHADRN CC[C@H](C)COc1ccc2c(c1)OC(=O)C[C@H]2C ZINC000772254367 585611104 /nfs/dbraw/zinc/61/11/04/585611104.db2.gz NTHLHTDXKQYYHP-WDEREUQCSA-N 0 0 248.322 3.524 20 0 BHADRN CCN(CCC1CC1)C(=O)/C(C)=C\C(C)(C)C ZINC000772258892 585611161 /nfs/dbraw/zinc/61/11/61/585611161.db2.gz UZQWTQFSPQVTQF-QXMHVHEDSA-N 0 0 237.387 3.627 20 0 BHADRN CCN(CCC1CC1)C(=O)/C(C)=C/C(C)(C)C ZINC000772258894 585611163 /nfs/dbraw/zinc/61/11/63/585611163.db2.gz UZQWTQFSPQVTQF-VAWYXSNFSA-N 0 0 237.387 3.627 20 0 BHADRN CCCC[C@@H](CC)C(=O)OCc1ccc(C)cn1 ZINC000772261604 585611364 /nfs/dbraw/zinc/61/13/64/585611364.db2.gz GHQQSOIOKJRJHY-CYBMUJFWSA-N 0 0 249.354 3.650 20 0 BHADRN CCCC[C@H](CC)C(=O)OCc1ccc(C)cn1 ZINC000772261608 585611456 /nfs/dbraw/zinc/61/14/56/585611456.db2.gz GHQQSOIOKJRJHY-ZDUSSCGKSA-N 0 0 249.354 3.650 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@H](C)CCC1CC1 ZINC000772261612 585611395 /nfs/dbraw/zinc/61/13/95/585611395.db2.gz TUKKRXYMAWPNNV-HCRIHEDKSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H](C)CCC1CC1 ZINC000772261615 585611537 /nfs/dbraw/zinc/61/15/37/585611537.db2.gz TUKKRXYMAWPNNV-IIANPFDCSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@H](C)CCC1CC1 ZINC000772261619 585611520 /nfs/dbraw/zinc/61/15/20/585611520.db2.gz TUKKRXYMAWPNNV-NLYDNYMLSA-N 0 0 237.387 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)CCC1CC1 ZINC000772261622 585611494 /nfs/dbraw/zinc/61/14/94/585611494.db2.gz TUKKRXYMAWPNNV-WEHUKYGOSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C)=CCSCc1nnc(C(C)(C)C)o1 ZINC000772264232 585611460 /nfs/dbraw/zinc/61/14/60/585611460.db2.gz AXFMDNTVJQNNBX-UHFFFAOYSA-N 0 0 240.372 3.567 20 0 BHADRN CC(C)=CCSCCCCCCCO ZINC000772264494 585611434 /nfs/dbraw/zinc/61/14/34/585611434.db2.gz CKCLCDWIPPBGTM-UHFFFAOYSA-N 0 0 216.390 3.629 20 0 BHADRN CC(C)=CCSC[C@@H]1OCCc2ccccc21 ZINC000772264543 585611552 /nfs/dbraw/zinc/61/15/52/585611552.db2.gz CTRFWTSPVOWGLN-HNNXBMFYSA-N 0 0 248.391 4.000 20 0 BHADRN CC(C)=CCSC[C@H]1OCCc2ccccc21 ZINC000772264551 585611487 /nfs/dbraw/zinc/61/14/87/585611487.db2.gz 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247.338 3.512 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CCCC1(C)C)c1cccnc1 ZINC000772604116 585619005 /nfs/dbraw/zinc/61/90/05/585619005.db2.gz VRXYNFPEZKVMQC-YPMHNXCESA-N 0 0 247.338 3.512 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)O[C@@H](C)c1cccnc1 ZINC000772608939 585618828 /nfs/dbraw/zinc/61/88/28/585618828.db2.gz BICQWXWDOJXKCB-NEPJUHHUSA-N 0 0 249.354 3.758 20 0 BHADRN C[C@@H](OC(=O)[C@@H](C)CC(C)(C)C)c1cccnc1 ZINC000772608940 585618866 /nfs/dbraw/zinc/61/88/66/585618866.db2.gz BICQWXWDOJXKCB-NWDGAFQWSA-N 0 0 249.354 3.758 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)O[C@@H](C)c1cccnc1 ZINC000772608943 585618950 /nfs/dbraw/zinc/61/89/50/585618950.db2.gz BICQWXWDOJXKCB-RYUDHWBXSA-N 0 0 249.354 3.758 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)O[C@H](C)c1cccnc1 ZINC000772608944 585618937 /nfs/dbraw/zinc/61/89/37/585618937.db2.gz BICQWXWDOJXKCB-VXGBXAGGSA-N 0 0 249.354 3.758 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000772608952 585015369 /nfs/dbraw/zinc/01/53/69/585015369.db2.gz SSFCDPWRNQKDKS-CYBMUJFWSA-N 0 0 232.323 3.556 20 0 BHADRN Cc1cccc(COC(=O)[C@H](C)CC(C)(C)C)n1 ZINC000772608992 585618995 /nfs/dbraw/zinc/61/89/95/585618995.db2.gz CGFDEZZKXHYNQO-LLVKDONJSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1cccc(COC(=O)[C@@H](C)CC(C)(C)C)n1 ZINC000772608993 585618887 /nfs/dbraw/zinc/61/88/87/585618887.db2.gz CGFDEZZKXHYNQO-NSHDSACASA-N 0 0 249.354 3.506 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)OCc1ccccc1 ZINC000772609023 585015381 /nfs/dbraw/zinc/01/53/81/585015381.db2.gz SSFCDPWRNQKDKS-ZDUSSCGKSA-N 0 0 232.323 3.556 20 0 BHADRN C[C@H](OC(=O)[C@@H]1CCCC1(C)C)c1ccncc1 ZINC000772609031 585618977 /nfs/dbraw/zinc/61/89/77/585618977.db2.gz PPPWNVGMHZEHTF-AAEUAGOBSA-N 0 0 247.338 3.512 20 0 BHADRN C[C@@H](OC(=O)[C@H]1CCCC1(C)C)c1ccncc1 ZINC000772609033 585618836 /nfs/dbraw/zinc/61/88/36/585618836.db2.gz PPPWNVGMHZEHTF-DGCLKSJQSA-N 0 0 247.338 3.512 20 0 BHADRN C[C@H](OC(=O)[C@H]1CCCC1(C)C)c1ccncc1 ZINC000772609034 585618946 /nfs/dbraw/zinc/61/89/46/585618946.db2.gz PPPWNVGMHZEHTF-WCQYABFASA-N 0 0 247.338 3.512 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CCCC1(C)C)c1ccncc1 ZINC000772609035 585015404 /nfs/dbraw/zinc/01/54/04/585015404.db2.gz PPPWNVGMHZEHTF-YPMHNXCESA-N 0 0 247.338 3.512 20 0 BHADRN C/C=C(/C=C/C(=O)N1CCCC[C@@H](C)C1)CC ZINC000772613894 585619068 /nfs/dbraw/zinc/61/90/68/585619068.db2.gz KPSPOCJOWMNNRV-BBSCJAAVSA-N 0 0 235.371 3.548 20 0 BHADRN C/C=C(/C=C/C(=O)N1CCCC[C@H](C)C1)CC ZINC000772613897 585619038 /nfs/dbraw/zinc/61/90/38/585619038.db2.gz KPSPOCJOWMNNRV-LPKQVGIASA-N 0 0 235.371 3.548 20 0 BHADRN C/C=C(/C=C\C(=O)N1CCCC[C@H](C)C1)CC ZINC000772613900 585619190 /nfs/dbraw/zinc/61/91/90/585619190.db2.gz KPSPOCJOWMNNRV-OVGQBBGFSA-N 0 0 235.371 3.548 20 0 BHADRN C/C=C(/C=C\C(=O)N1CCCC[C@@H](C)C1)CC ZINC000772613902 585619073 /nfs/dbraw/zinc/61/90/73/585619073.db2.gz KPSPOCJOWMNNRV-PGUIRVSFSA-N 0 0 235.371 3.548 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)OC1CCCC1 ZINC000772614530 585619114 /nfs/dbraw/zinc/61/91/14/585619114.db2.gz NTCDDJPSQAYSPB-JTQLQIEISA-N 0 0 212.333 3.545 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)OC1CCCC1 ZINC000772614531 585619063 /nfs/dbraw/zinc/61/90/63/585619063.db2.gz NTCDDJPSQAYSPB-SNVBAGLBSA-N 0 0 212.333 3.545 20 0 BHADRN Cc1ccncc1COC(=O)[C@H](C)CC(C)(C)C ZINC000772616862 585619333 /nfs/dbraw/zinc/61/93/33/585619333.db2.gz XEFSIXIKSSYEGM-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1ccncc1COC(=O)[C@@H](C)CC(C)(C)C ZINC000772616867 585619310 /nfs/dbraw/zinc/61/93/10/585619310.db2.gz XEFSIXIKSSYEGM-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1cccnc1COC(=O)[C@H](C)CC(C)(C)C ZINC000772619646 585619429 /nfs/dbraw/zinc/61/94/29/585619429.db2.gz CCNIKOCQOMQTNT-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1cccnc1COC(=O)[C@@H](C)CC(C)(C)C ZINC000772619647 585619368 /nfs/dbraw/zinc/61/93/68/585619368.db2.gz CCNIKOCQOMQTNT-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)O[C@@H](C)c1ccncc1 ZINC000772622949 585619428 /nfs/dbraw/zinc/61/94/28/585619428.db2.gz IXBPQDNCUGABKV-NEPJUHHUSA-N 0 0 249.354 3.758 20 0 BHADRN C[C@@H](OC(=O)[C@@H](C)CC(C)(C)C)c1ccncc1 ZINC000772622952 585619267 /nfs/dbraw/zinc/61/92/67/585619267.db2.gz IXBPQDNCUGABKV-NWDGAFQWSA-N 0 0 249.354 3.758 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)O[C@@H](C)c1ccncc1 ZINC000772622956 585619277 /nfs/dbraw/zinc/61/92/77/585619277.db2.gz IXBPQDNCUGABKV-RYUDHWBXSA-N 0 0 249.354 3.758 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)O[C@H](C)c1ccncc1 ZINC000772622959 585619273 /nfs/dbraw/zinc/61/92/73/585619273.db2.gz IXBPQDNCUGABKV-VXGBXAGGSA-N 0 0 249.354 3.758 20 0 BHADRN CC(C)C(CNC(=O)C=C1CCCC1)C(C)C ZINC000772623271 585619372 /nfs/dbraw/zinc/61/93/72/585619372.db2.gz XJSHQSAAWUQAGV-UHFFFAOYSA-N 0 0 237.387 3.531 20 0 BHADRN Cc1ccc(COC(=O)[C@H](C)CC(C)(C)C)nc1 ZINC000772628457 585619378 /nfs/dbraw/zinc/61/93/78/585619378.db2.gz SVBGKJOGVYRPPZ-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1ccc(COC(=O)[C@@H](C)CC(C)(C)C)nc1 ZINC000772628459 585619384 /nfs/dbraw/zinc/61/93/84/585619384.db2.gz SVBGKJOGVYRPPZ-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)OCCC(F)(F)F ZINC000772628627 585619276 /nfs/dbraw/zinc/61/92/76/585619276.db2.gz UQFRVQAETJNTJB-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)OCCC(F)(F)F ZINC000772628628 585619377 /nfs/dbraw/zinc/61/93/77/585619377.db2.gz UQFRVQAETJNTJB-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN C/C(=C\C(=O)N1CCCC[C@H](C)C1)C(C)(C)C ZINC000772636606 585619641 /nfs/dbraw/zinc/61/96/41/585619641.db2.gz XYIUKZLCUZDRCY-CVCOIXHCSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(=O)N1CCCC[C@@H](C)C1)C(C)(C)C ZINC000772636609 585619450 /nfs/dbraw/zinc/61/94/50/585619450.db2.gz XYIUKZLCUZDRCY-GMCKNXKJSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C/C(=O)N1CCCC[C@H](C)C1)C(C)(C)C ZINC000772636611 585619505 /nfs/dbraw/zinc/61/95/05/585619505.db2.gz XYIUKZLCUZDRCY-IXJPEXDMSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C/C(=O)N1CCCC[C@@H](C)C1)C(C)(C)C ZINC000772636613 585619646 /nfs/dbraw/zinc/61/96/46/585619646.db2.gz XYIUKZLCUZDRCY-YGYTWAPGSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCCC[C@H](C)C1 ZINC000772639307 585619556 /nfs/dbraw/zinc/61/95/56/585619556.db2.gz MBWNHIOYVOONRR-CVCOIXHCSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CCCC[C@@H](C)C1 ZINC000772639309 585619648 /nfs/dbraw/zinc/61/96/48/585619648.db2.gz MBWNHIOYVOONRR-GMCKNXKJSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCCC[C@H](C)C1 ZINC000772639313 585619577 /nfs/dbraw/zinc/61/95/77/585619577.db2.gz MBWNHIOYVOONRR-IXJPEXDMSA-N 0 0 237.387 3.627 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CCCC[C@@H](C)C1 ZINC000772639317 585619614 /nfs/dbraw/zinc/61/96/14/585619614.db2.gz MBWNHIOYVOONRR-YGYTWAPGSA-N 0 0 237.387 3.627 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCC(C(C)C)C(C)C ZINC000772640078 585619483 /nfs/dbraw/zinc/61/94/83/585619483.db2.gz LNWHMLCQCLPVCK-OUKQBFOZSA-N 0 0 239.403 3.777 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCC(C(C)C)C(C)C ZINC000772640079 585619655 /nfs/dbraw/zinc/61/96/55/585619655.db2.gz LNWHMLCQCLPVCK-SEYXRHQNSA-N 0 0 239.403 3.777 20 0 BHADRN C[C@@H]1CCCCN(C(=O)C=C2CCCCC2)C1 ZINC000772642098 585619733 /nfs/dbraw/zinc/61/97/33/585619733.db2.gz XEEIOVKQEUYUFS-CYBMUJFWSA-N 0 0 235.371 3.526 20 0 BHADRN C[C@H]1CCCCN(C(=O)C=C2CCCCC2)C1 ZINC000772642099 585619692 /nfs/dbraw/zinc/61/96/92/585619692.db2.gz XEEIOVKQEUYUFS-ZDUSSCGKSA-N 0 0 235.371 3.526 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)Cc1ccco1 ZINC000772645566 585619828 /nfs/dbraw/zinc/61/98/28/585619828.db2.gz PVESIUCZVDAZKI-GFCCVEGCSA-N 0 0 238.327 3.724 20 0 BHADRN CCCCCC[C@H](C)OC(=O)Cc1ccco1 ZINC000772645567 585619856 /nfs/dbraw/zinc/61/98/56/585619856.db2.gz PVESIUCZVDAZKI-LBPRGKRZSA-N 0 0 238.327 3.724 20 0 BHADRN CCC(CC)OC(=O)c1ccc(C(C)C)nc1 ZINC000772645906 585619824 /nfs/dbraw/zinc/61/98/24/585619824.db2.gz BFTZGTIRWUYDOU-UHFFFAOYSA-N 0 0 235.327 3.550 20 0 BHADRN Cc1ccc(COC(=O)CCCC(C)(C)C)cn1 ZINC000772660071 585620000 /nfs/dbraw/zinc/62/00/00/585620000.db2.gz MTLVBAXZQCTVBM-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN CC[C@@H](CC(=O)OCc1ccc(C)nc1)C(C)C ZINC000772660612 585620069 /nfs/dbraw/zinc/62/00/69/585620069.db2.gz XFKXGLVKCKQDND-AWEZNQCLSA-N 0 0 249.354 3.506 20 0 BHADRN CC[C@H](CC(=O)OCc1ccc(C)nc1)C(C)C ZINC000772660613 585619884 /nfs/dbraw/zinc/61/98/84/585619884.db2.gz XFKXGLVKCKQDND-CQSZACIVSA-N 0 0 249.354 3.506 20 0 BHADRN CCC(CC)(CC)C(=O)OCc1ccc(C)nc1 ZINC000772665303 585620235 /nfs/dbraw/zinc/62/02/35/585620235.db2.gz SPRKRZFPHSBXEM-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN Cc1ccc(COC(=O)C(C)(C)CC(C)C)cn1 ZINC000772668380 585620341 /nfs/dbraw/zinc/62/03/41/585620341.db2.gz WLGPCCKPGUZQPM-UHFFFAOYSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1ccc(COC(=O)C[C@H](C)CC(C)C)cn1 ZINC000772668772 585620548 /nfs/dbraw/zinc/62/05/48/585620548.db2.gz FNXXGRZOBTYYFZ-GFCCVEGCSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1ccc(COC(=O)C[C@@H](C)CC(C)C)cn1 ZINC000772668773 585620529 /nfs/dbraw/zinc/62/05/29/585620529.db2.gz FNXXGRZOBTYYFZ-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN CCCC[C@H](CC)C(=O)OCc1ccc(C)nc1 ZINC000772673807 585620372 /nfs/dbraw/zinc/62/03/72/585620372.db2.gz RPXFRQGOWRZVJG-AWEZNQCLSA-N 0 0 249.354 3.650 20 0 BHADRN CCCC[C@@H](CC)C(=O)OCc1ccc(C)nc1 ZINC000772673810 585620553 /nfs/dbraw/zinc/62/05/53/585620553.db2.gz RPXFRQGOWRZVJG-CQSZACIVSA-N 0 0 249.354 3.650 20 0 BHADRN C/C=C/C=C\C(=O)NCc1cccc(C(C)C)c1 ZINC000772685624 585620578 /nfs/dbraw/zinc/62/05/78/585620578.db2.gz GJEREZMFBZCBFF-IGTFLHFFSA-N 0 0 243.350 3.559 20 0 BHADRN C/C=C/C=C/C(=O)NCc1cccc(C(C)C)c1 ZINC000772685625 585620590 /nfs/dbraw/zinc/62/05/90/585620590.db2.gz GJEREZMFBZCBFF-UMCKCUICSA-N 0 0 243.350 3.559 20 0 BHADRN CC(C)c1cccc(CNC(=O)C=C2CCC2)c1 ZINC000772686369 585620587 /nfs/dbraw/zinc/62/05/87/585620587.db2.gz RFDQFUKXJDORHB-UHFFFAOYSA-N 0 0 243.350 3.537 20 0 BHADRN CC/C=C(\C)C(=O)NCc1cccc(C(C)C)c1 ZINC000772686416 585620762 /nfs/dbraw/zinc/62/07/62/585620762.db2.gz UANSJHXZTMXQDM-NTUHNPAUSA-N 0 0 245.366 3.783 20 0 BHADRN CC/C=C(/C)C(=O)NCc1cccc(C(C)C)c1 ZINC000772686417 585620613 /nfs/dbraw/zinc/62/06/13/585620613.db2.gz UANSJHXZTMXQDM-QPEQYQDCSA-N 0 0 245.366 3.783 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)c1ccccc1F ZINC000772706314 585621505 /nfs/dbraw/zinc/62/15/05/585621505.db2.gz NKPHUGBZRIPUDL-KHPPLWFESA-N 0 0 249.329 3.781 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)c1ccccc1F ZINC000772706315 585621454 /nfs/dbraw/zinc/62/14/54/585621454.db2.gz NKPHUGBZRIPUDL-ZHACJKMWSA-N 0 0 249.329 3.781 20 0 BHADRN CCC(=CC(=O)Nc1cccc2cc[nH]c21)CC ZINC000772731935 585622644 /nfs/dbraw/zinc/62/26/44/585622644.db2.gz CTOIVBKRRQITTG-UHFFFAOYSA-N 0 0 242.322 3.853 20 0 BHADRN C[C@@H](CC(=O)Nc1cccc2cc[nH]c21)C1CC1 ZINC000772733144 585622496 /nfs/dbraw/zinc/62/24/96/585622496.db2.gz JWONHYAGDDAJRY-JTQLQIEISA-N 0 0 242.322 3.543 20 0 BHADRN C[C@H](CC(=O)Nc1cccc2cc[nH]c21)C1CC1 ZINC000772733149 585016352 /nfs/dbraw/zinc/01/63/52/585016352.db2.gz JWONHYAGDDAJRY-SNVBAGLBSA-N 0 0 242.322 3.543 20 0 BHADRN CCCCCC(C)(C)C(=O)Nc1nocc1C ZINC000772736346 585622621 /nfs/dbraw/zinc/62/26/21/585622621.db2.gz VAMXCRVLDVDPKS-UHFFFAOYSA-N 0 0 238.331 3.528 20 0 BHADRN O=C(C=C1CCCC1)Nc1cccc2cc[nH]c21 ZINC000772737154 585622466 /nfs/dbraw/zinc/62/24/66/585622466.db2.gz QGMMFWSVMHNZCF-UHFFFAOYSA-N 0 0 240.306 3.607 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc2cc[nH]c21 ZINC000772738303 585622505 /nfs/dbraw/zinc/62/25/05/585622505.db2.gz AQXYPJLVOLTXBJ-KHPPLWFESA-N 0 0 242.322 3.853 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc2cc[nH]c21 ZINC000772738304 585622600 /nfs/dbraw/zinc/62/26/00/585622600.db2.gz AQXYPJLVOLTXBJ-ZHACJKMWSA-N 0 0 242.322 3.853 20 0 BHADRN CC/C=C\CCOC(=O)[C@H](C)c1ccccc1 ZINC000772748943 585622850 /nfs/dbraw/zinc/62/28/50/585622850.db2.gz LHGFJMGLNGCDSQ-DSYXLKISSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C/CCOC(=O)[C@@H](C)c1ccccc1 ZINC000772748944 585622564 /nfs/dbraw/zinc/62/25/64/585622564.db2.gz LHGFJMGLNGCDSQ-IHVVCDCBSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C/CCOC(=O)[C@H](C)c1ccccc1 ZINC000772748945 585622560 /nfs/dbraw/zinc/62/25/60/585622560.db2.gz LHGFJMGLNGCDSQ-MUBLQREKSA-N 0 0 232.323 3.690 20 0 BHADRN CC/C=C\CCOC(=O)[C@@H](C)c1ccccc1 ZINC000772748946 585622526 /nfs/dbraw/zinc/62/25/26/585622526.db2.gz LHGFJMGLNGCDSQ-ZFDPJTLLSA-N 0 0 232.323 3.690 20 0 BHADRN C[C@@H](C(=O)OCC1CCCC1)c1ccccc1 ZINC000772749001 585622851 /nfs/dbraw/zinc/62/28/51/585622851.db2.gz LBMQKSOQVMEQBP-GFCCVEGCSA-N 0 0 232.323 3.524 20 0 BHADRN C[C@H](C(=O)OCC1CCCC1)c1ccccc1 ZINC000772749002 585622764 /nfs/dbraw/zinc/62/27/64/585622764.db2.gz LBMQKSOQVMEQBP-LBPRGKRZSA-N 0 0 232.323 3.524 20 0 BHADRN CCC(CC)OC(=O)[C@H](C)c1ccccc1 ZINC000772749666 585622773 /nfs/dbraw/zinc/62/27/73/585622773.db2.gz YVMDOODJDMGSET-LLVKDONJSA-N 0 0 220.312 3.522 20 0 BHADRN CCC(CC)OC(=O)[C@@H](C)c1ccccc1 ZINC000772749667 585622823 /nfs/dbraw/zinc/62/28/23/585622823.db2.gz YVMDOODJDMGSET-NSHDSACASA-N 0 0 220.312 3.522 20 0 BHADRN CCC(CC)CCOC(=O)CCc1ccoc1 ZINC000772768512 585623226 /nfs/dbraw/zinc/62/32/26/585623226.db2.gz JFEIUVOCDGMPTE-UHFFFAOYSA-N 0 0 238.327 3.582 20 0 BHADRN CCc1cccnc1C(=O)OCCC(CC)CC ZINC000772769163 585623287 /nfs/dbraw/zinc/62/32/87/585623287.db2.gz PILHCUNCUBLCCP-UHFFFAOYSA-N 0 0 249.354 3.627 20 0 BHADRN CCC(CC)CCOC(=O)CCc1ccco1 ZINC000772769542 585623307 /nfs/dbraw/zinc/62/33/07/585623307.db2.gz SVBSBFIDODGOJJ-UHFFFAOYSA-N 0 0 238.327 3.582 20 0 BHADRN CCC(CC)CCOC(=O)CCC(C)(F)F ZINC000772770292 585623140 /nfs/dbraw/zinc/62/31/40/585623140.db2.gz ZADJRBKMXUEFFQ-UHFFFAOYSA-N 0 0 236.302 3.791 20 0 BHADRN CCC(CC)CCOC(=O)CCC(F)(F)F ZINC000772776646 585623434 /nfs/dbraw/zinc/62/34/34/585623434.db2.gz ZUQKJMXWAGSTAO-UHFFFAOYSA-N 0 0 240.265 3.698 20 0 BHADRN CCC(CC)CCOC(=O)[C@H](C)c1ccco1 ZINC000772782672 585623654 /nfs/dbraw/zinc/62/36/54/585623654.db2.gz XINTUVGPGSYLJM-LLVKDONJSA-N 0 0 238.327 3.753 20 0 BHADRN CCC(CC)CCOC(=O)[C@@H](C)c1ccco1 ZINC000772782683 585623843 /nfs/dbraw/zinc/62/38/43/585623843.db2.gz XINTUVGPGSYLJM-NSHDSACASA-N 0 0 238.327 3.753 20 0 BHADRN CCC(C)(C)CCOC(=O)C1(F)CCCC1 ZINC000772787611 585624047 /nfs/dbraw/zinc/62/40/47/585624047.db2.gz AOWUIUIUNABFHF-UHFFFAOYSA-N 0 0 230.323 3.638 20 0 BHADRN C[C@@H](OC(=O)C1(F)CCCC1)c1ccccc1 ZINC000772790495 585624269 /nfs/dbraw/zinc/62/42/69/585624269.db2.gz MSPOXNSXURNQSK-LLVKDONJSA-N 0 0 236.286 3.573 20 0 BHADRN C[C@H](OC(=O)C1(F)CCCC1)c1ccccc1 ZINC000772790497 585624252 /nfs/dbraw/zinc/62/42/52/585624252.db2.gz MSPOXNSXURNQSK-NSHDSACASA-N 0 0 236.286 3.573 20 0 BHADRN O=C(OC/C=C/c1ccccc1)C1(F)CCCC1 ZINC000772791130 585624197 /nfs/dbraw/zinc/62/41/97/585624197.db2.gz RKKFWTUVCBDISD-RMKNXTFCSA-N 0 0 248.297 3.525 20 0 BHADRN O=C(OC/C=C\c1ccccc1)C1(F)CCCC1 ZINC000772791133 585624112 /nfs/dbraw/zinc/62/41/12/585624112.db2.gz RKKFWTUVCBDISD-TWGQIWQCSA-N 0 0 248.297 3.525 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)O[C@H](C)c1ccncc1 ZINC000772813852 585624594 /nfs/dbraw/zinc/62/45/94/585624594.db2.gz IWINQLPFDAKEDH-HCRIHEDKSA-N 0 0 247.338 3.678 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)O[C@@H](C)c1ccncc1 ZINC000772813853 585624701 /nfs/dbraw/zinc/62/47/01/585624701.db2.gz IWINQLPFDAKEDH-IIANPFDCSA-N 0 0 247.338 3.678 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)O[C@H](C)c1ccncc1 ZINC000772813854 585017604 /nfs/dbraw/zinc/01/76/04/585017604.db2.gz IWINQLPFDAKEDH-NLYDNYMLSA-N 0 0 247.338 3.678 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)O[C@@H](C)c1ccncc1 ZINC000772813856 585017818 /nfs/dbraw/zinc/01/78/18/585017818.db2.gz IWINQLPFDAKEDH-WEHUKYGOSA-N 0 0 247.338 3.678 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000772848796 585625514 /nfs/dbraw/zinc/62/55/14/585625514.db2.gz GPQBVVZNVOSJSZ-GUTXKFCHSA-N 0 0 239.403 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000772848799 585625497 /nfs/dbraw/zinc/62/54/97/585625497.db2.gz GPQBVVZNVOSJSZ-GZBFAFLISA-N 0 0 239.403 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000772848803 585625527 /nfs/dbraw/zinc/62/55/27/585625527.db2.gz GPQBVVZNVOSJSZ-KCQAQPDRSA-N 0 0 239.403 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000772848806 585625524 /nfs/dbraw/zinc/62/55/24/585625524.db2.gz GPQBVVZNVOSJSZ-YDHLFZDLSA-N 0 0 239.403 3.754 20 0 BHADRN CCCCCCNC(=O)C1=CCCCCC1 ZINC000772848919 585625483 /nfs/dbraw/zinc/62/54/83/585625483.db2.gz IBLRBFGWFAIREP-UHFFFAOYSA-N 0 0 223.360 3.573 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C1=CCCCCC1 ZINC000772850642 585625401 /nfs/dbraw/zinc/62/54/01/585625401.db2.gz QYXQDJUDGXDYDS-CYBMUJFWSA-N 0 0 237.387 3.962 20 0 BHADRN CCCCC[C@H](C)NC(=O)C1=CCCCCC1 ZINC000772850644 585625416 /nfs/dbraw/zinc/62/54/16/585625416.db2.gz QYXQDJUDGXDYDS-ZDUSSCGKSA-N 0 0 237.387 3.962 20 0 BHADRN CCC/C=C\C(=O)Nc1ccc(C2CC2)cc1 ZINC000772854028 585625374 /nfs/dbraw/zinc/62/53/74/585625374.db2.gz ZGZMOZMTYZRYJH-PLNGDYQASA-N 0 0 229.323 3.859 20 0 BHADRN CCC/C=C/C(=O)Nc1ccc(C2CC2)cc1 ZINC000772854029 585625338 /nfs/dbraw/zinc/62/53/38/585625338.db2.gz ZGZMOZMTYZRYJH-SNAWJCMRSA-N 0 0 229.323 3.859 20 0 BHADRN C/C=C(/C=C\C(=O)N1CC[C@H](C)[C@@H]1CC)CC ZINC000772864785 585625660 /nfs/dbraw/zinc/62/56/60/585625660.db2.gz SGDRVKWWQKMUNG-HZJFOKLHSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C(/C=C\C(=O)N1CC[C@H](C)[C@H]1CC)CC ZINC000772864787 585625669 /nfs/dbraw/zinc/62/56/69/585625669.db2.gz SGDRVKWWQKMUNG-JGHJXMMCSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C(/C=C/C(=O)N1CC[C@H](C)[C@H]1CC)CC ZINC000772864789 585625609 /nfs/dbraw/zinc/62/56/09/585625609.db2.gz SGDRVKWWQKMUNG-MRXGPODWSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C(/C=C/C(=O)N1CC[C@H](C)[C@@H]1CC)CC ZINC000772864791 585625658 /nfs/dbraw/zinc/62/56/58/585625658.db2.gz SGDRVKWWQKMUNG-OHPXXZMVSA-N 0 0 235.371 3.546 20 0 BHADRN O=C(C1=CCCCCC1)N1CCCCCCC1 ZINC000772866693 585625768 /nfs/dbraw/zinc/62/57/68/585625768.db2.gz HPAAQXZYYFBQEO-UHFFFAOYSA-N 0 0 235.371 3.670 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)/C=C(/C)C(C)(C)C ZINC000772868327 585625583 /nfs/dbraw/zinc/62/55/83/585625583.db2.gz PBWJYZZWZOCJCT-KLOBIAMYSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)/C=C(/C)C(C)(C)C ZINC000772868329 585625672 /nfs/dbraw/zinc/62/56/72/585625672.db2.gz PBWJYZZWZOCJCT-WEVJOFGFSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)/C=C(\C)C(C)(C)C ZINC000772868331 585625679 /nfs/dbraw/zinc/62/56/79/585625679.db2.gz PBWJYZZWZOCJCT-ZGDCTCODSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)/C=C(\C)C(C)(C)C ZINC000772868333 585625556 /nfs/dbraw/zinc/62/55/56/585625556.db2.gz PBWJYZZWZOCJCT-ZWRVYWDGSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)/C(C)=C\C(C)(C)C ZINC000772869601 585625756 /nfs/dbraw/zinc/62/57/56/585625756.db2.gz UBLNZZBPDBYGBU-KLOBIAMYSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)/C(C)=C\C(C)(C)C ZINC000772869603 585625612 /nfs/dbraw/zinc/62/56/12/585625612.db2.gz UBLNZZBPDBYGBU-WEVJOFGFSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)/C(C)=C/C(C)(C)C ZINC000772869606 585625652 /nfs/dbraw/zinc/62/56/52/585625652.db2.gz UBLNZZBPDBYGBU-ZGDCTCODSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)/C(C)=C/C(C)(C)C ZINC000772869609 585625770 /nfs/dbraw/zinc/62/57/70/585625770.db2.gz UBLNZZBPDBYGBU-ZWRVYWDGSA-N 0 0 237.387 3.626 20 0 BHADRN CC[C@@H]1[C@@H](C)CCN1C(=O)C=C1CCCCC1 ZINC000772870360 585625734 /nfs/dbraw/zinc/62/57/34/585625734.db2.gz XIZAIKKROZXJFU-GXTWGEPZSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H]1[C@@H](C)CCN1C(=O)C=C1CCCCC1 ZINC000772870370 585625678 /nfs/dbraw/zinc/62/56/78/585625678.db2.gz XIZAIKKROZXJFU-JSGCOSHPSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@H]1[C@H](C)CCN1C(=O)C=C1CCCCC1 ZINC000772870377 585625733 /nfs/dbraw/zinc/62/57/33/585625733.db2.gz XIZAIKKROZXJFU-OCCSQVGLSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@@H]1[C@H](C)CCN1C(=O)C=C1CCCCC1 ZINC000772870384 585625639 /nfs/dbraw/zinc/62/56/39/585625639.db2.gz XIZAIKKROZXJFU-TZMCWYRMSA-N 0 0 235.371 3.524 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)C(C)=C1CCCC1 ZINC000772873541 585625857 /nfs/dbraw/zinc/62/58/57/585625857.db2.gz SWRGIIIQQNLFSN-BXUZGUMPSA-N 0 0 235.371 3.666 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)C(C)=C1CCCC1 ZINC000772873542 585625928 /nfs/dbraw/zinc/62/59/28/585625928.db2.gz SWRGIIIQQNLFSN-FZMZJTMJSA-N 0 0 235.371 3.666 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)C(C)=C1CCCC1 ZINC000772873545 585625968 /nfs/dbraw/zinc/62/59/68/585625968.db2.gz SWRGIIIQQNLFSN-RISCZKNCSA-N 0 0 235.371 3.666 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)C(C)=C1CCCC1 ZINC000772873547 585625956 /nfs/dbraw/zinc/62/59/56/585625956.db2.gz SWRGIIIQQNLFSN-SMDDNHRTSA-N 0 0 235.371 3.666 20 0 BHADRN CC[C@@H]1CC[C@H](C)N1C(=O)C(F)=C1CCCC1 ZINC000772874184 585625923 /nfs/dbraw/zinc/62/59/23/585625923.db2.gz WCUNCAIFMZNCMF-CMPLNLGQSA-N 0 0 239.334 3.574 20 0 BHADRN CC[C@H]1CC[C@H](C)N1C(=O)C(F)=C1CCCC1 ZINC000772874185 585625918 /nfs/dbraw/zinc/62/59/18/585625918.db2.gz WCUNCAIFMZNCMF-JQWIXIFHSA-N 0 0 239.334 3.574 20 0 BHADRN CC[C@H]1CC[C@@H](C)N1C(=O)C(F)=C1CCCC1 ZINC000772874186 585625966 /nfs/dbraw/zinc/62/59/66/585625966.db2.gz WCUNCAIFMZNCMF-PWSUYJOCSA-N 0 0 239.334 3.574 20 0 BHADRN CC[C@@H]1CC[C@@H](C)N1C(=O)C(F)=C1CCCC1 ZINC000772874187 585625905 /nfs/dbraw/zinc/62/59/05/585625905.db2.gz WCUNCAIFMZNCMF-ZYHUDNBSSA-N 0 0 239.334 3.574 20 0 BHADRN C[C@@H](C1CCCCC1)N(C)C(=O)C=C1CCC1 ZINC000772887457 585018417 /nfs/dbraw/zinc/01/84/17/585018417.db2.gz AECQPFXDQNDUGQ-LBPRGKRZSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C/C=C\C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000772887813 585626467 /nfs/dbraw/zinc/62/64/67/585626467.db2.gz DBDKENDCAULJNO-WSVGBJFDSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000772887817 585626546 /nfs/dbraw/zinc/62/65/46/585626546.db2.gz DBDKENDCAULJNO-ZYTWBPGGSA-N 0 0 235.371 3.546 20 0 BHADRN C[C@@H](C1CCCCC1)N(C)C(=O)C=C1CCCC1 ZINC000772891173 585626807 /nfs/dbraw/zinc/62/68/07/585626807.db2.gz UFRRDCBEYUFKMY-ZDUSSCGKSA-N 0 0 249.398 3.914 20 0 BHADRN C/C(=C/C(=O)N(C)[C@@H](C)C1CCCCC1)C1CC1 ZINC000772891384 585626720 /nfs/dbraw/zinc/62/67/20/585626720.db2.gz WORYQBPQGDEKPY-HHQWOOOKSA-N 0 0 249.398 3.770 20 0 BHADRN C/C(=C\C(=O)N(C)[C@@H](C)C1CCCCC1)C1CC1 ZINC000772891386 585626781 /nfs/dbraw/zinc/62/67/81/585626781.db2.gz WORYQBPQGDEKPY-YLSINNKHSA-N 0 0 249.398 3.770 20 0 BHADRN C/C=C(/CC)C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000772909801 585627117 /nfs/dbraw/zinc/62/71/17/585627117.db2.gz NJLOSHWNWVYBGM-HOOXVRQISA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(\CC)C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000772909804 585627187 /nfs/dbraw/zinc/62/71/87/585627187.db2.gz NJLOSHWNWVYBGM-XASFNGIFSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(\C)C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000772909875 585627121 /nfs/dbraw/zinc/62/71/21/585627121.db2.gz NZQANOKVSVULDI-SRXBQZRASA-N 0 0 237.387 3.770 20 0 BHADRN CC/C=C(/C)C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000772909880 585627094 /nfs/dbraw/zinc/62/70/94/585627094.db2.gz NZQANOKVSVULDI-SUIFULHWSA-N 0 0 237.387 3.770 20 0 BHADRN CC(C)[C@H]1CN(C(=O)C(C)(C)F)c2ccccc21 ZINC000772915728 585627621 /nfs/dbraw/zinc/62/76/21/585627621.db2.gz FNIZZXAISKWOIB-GFCCVEGCSA-N 0 0 249.329 3.521 20 0 BHADRN CC(C)[C@@H]1CN(C(=O)C(C)(C)F)c2ccccc21 ZINC000772915731 585627454 /nfs/dbraw/zinc/62/74/54/585627454.db2.gz FNIZZXAISKWOIB-LBPRGKRZSA-N 0 0 249.329 3.521 20 0 BHADRN C[C@@H](CC1CCCCC1)NC(=O)C=C1CCCC1 ZINC000772916795 585627374 /nfs/dbraw/zinc/62/73/74/585627374.db2.gz HNOJOEHAYURPJQ-ZDUSSCGKSA-N 0 0 249.398 3.962 20 0 BHADRN C/C(=C/C(=O)N[C@@H](C)CC1CCCCC1)C1CC1 ZINC000772918545 585627506 /nfs/dbraw/zinc/62/75/06/585627506.db2.gz OMQAAEWTTYGEIB-UKVQZPPCSA-N 0 0 249.398 3.818 20 0 BHADRN C/C(=C\C(=O)N[C@@H](C)CC1CCCCC1)C1CC1 ZINC000772918547 585627455 /nfs/dbraw/zinc/62/74/55/585627455.db2.gz OMQAAEWTTYGEIB-XSNHNAGMSA-N 0 0 249.398 3.818 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](C)CC1CCCCC1 ZINC000772919155 585627460 /nfs/dbraw/zinc/62/74/60/585627460.db2.gz UJXHKXBUPBPANV-XPGRYPKZSA-N 0 0 235.371 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H](C)CC1CCCCC1 ZINC000772919156 585627537 /nfs/dbraw/zinc/62/75/37/585627537.db2.gz UJXHKXBUPBPANV-ZAXBJDLZSA-N 0 0 235.371 3.594 20 0 BHADRN Cc1ccc(NCc2cncc3ccccc32)nc1 ZINC000772919466 585627385 /nfs/dbraw/zinc/62/73/85/585627385.db2.gz RAHSCNNESXMAIC-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CCCCN(C(=O)C1(F)CCCC1)[C@H](C)CC ZINC000772919598 585627526 /nfs/dbraw/zinc/62/75/26/585627526.db2.gz XNPRVXLGCRYZEX-GFCCVEGCSA-N 0 0 243.366 3.696 20 0 BHADRN CCCCN(C(=O)C1(F)CCCC1)[C@@H](C)CC ZINC000772919599 585627423 /nfs/dbraw/zinc/62/74/23/585627423.db2.gz XNPRVXLGCRYZEX-LBPRGKRZSA-N 0 0 243.366 3.696 20 0 BHADRN CC/C=C(/C)C(=O)N[C@@H](C)CC1CCCCC1 ZINC000772919759 585627536 /nfs/dbraw/zinc/62/75/36/585627536.db2.gz XDKDBQAKSNGECL-FSBNRTBOSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C=C(\C)C(=O)N[C@@H](C)CC1CCCCC1 ZINC000772919760 585627504 /nfs/dbraw/zinc/62/75/04/585627504.db2.gz XDKDBQAKSNGECL-RPHSKFLZSA-N 0 0 237.387 3.818 20 0 BHADRN C[C@@H](CC1CCCCC1)NC(=O)C=C1CCC1 ZINC000772919762 585627396 /nfs/dbraw/zinc/62/73/96/585627396.db2.gz XDOVSHGQOVWXIC-LBPRGKRZSA-N 0 0 235.371 3.572 20 0 BHADRN C/C=C(\CC)C(=O)N[C@@H](C)CC1CCCCC1 ZINC000772919779 585627410 /nfs/dbraw/zinc/62/74/10/585627410.db2.gz XWFWGRHZFFKXBY-DRRTZOGYSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(/CC)C(=O)N[C@@H](C)CC1CCCCC1 ZINC000772919780 585627552 /nfs/dbraw/zinc/62/75/52/585627552.db2.gz XWFWGRHZFFKXBY-QZWNACRTSA-N 0 0 237.387 3.818 20 0 BHADRN Cc1ncccc1NCc1cnc2ccccc2c1 ZINC000772933992 585627829 /nfs/dbraw/zinc/62/78/29/585627829.db2.gz QORGSLMKTLAXMZ-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccncc1NCc1cnc2ccccc2c1 ZINC000772944575 585628008 /nfs/dbraw/zinc/62/80/08/585628008.db2.gz XEHYMYUKJVEHHE-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN CC(C)N(C(=O)C1(F)CCCC1)c1ccccc1 ZINC000772944678 585628013 /nfs/dbraw/zinc/62/80/13/585628013.db2.gz HRQIJWHCXKEBAO-UHFFFAOYSA-N 0 0 249.329 3.710 20 0 BHADRN Cc1cncc(NCc2nccc3ccccc32)c1 ZINC000772951156 585628080 /nfs/dbraw/zinc/62/80/80/585628080.db2.gz DMBUCAKHLYFULW-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1cncc(NCc2cnc3ccccc3c2)c1 ZINC000772952219 585628328 /nfs/dbraw/zinc/62/83/28/585628328.db2.gz ITJNOVZAGKFUGI-UHFFFAOYSA-N 0 0 249.317 3.550 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2C[C@]2(C)C(C)C)cc1 ZINC000772958346 585628202 /nfs/dbraw/zinc/62/82/02/585628202.db2.gz OAMWYDDLHWVFEQ-GDBMZVCRSA-N 0 0 245.366 3.640 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 ZINC000772958350 585628183 /nfs/dbraw/zinc/62/81/83/585628183.db2.gz OAMWYDDLHWVFEQ-GOEBONIOSA-N 0 0 245.366 3.640 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 ZINC000772958354 585628164 /nfs/dbraw/zinc/62/81/64/585628164.db2.gz OAMWYDDLHWVFEQ-HOCLYGCPSA-N 0 0 245.366 3.640 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 ZINC000772958358 585628356 /nfs/dbraw/zinc/62/83/56/585628356.db2.gz OAMWYDDLHWVFEQ-ZBFHGGJFSA-N 0 0 245.366 3.640 20 0 BHADRN CCCCCOC(=O)c1cnc(C(C)C)s1 ZINC000772972556 585628571 /nfs/dbraw/zinc/62/85/71/585628571.db2.gz RGJRDDWBGCBBDX-UHFFFAOYSA-N 0 0 241.356 3.614 20 0 BHADRN C[C@H](CNC(=O)C1=CCCCCC1)C(C)(C)C ZINC000772988756 585628943 /nfs/dbraw/zinc/62/89/43/585628943.db2.gz PXXCKEOLUTWXLJ-GFCCVEGCSA-N 0 0 237.387 3.675 20 0 BHADRN C[C@@H](CNC(=O)C1=CCCCCC1)C(C)(C)C ZINC000772988757 585629022 /nfs/dbraw/zinc/62/90/22/585629022.db2.gz PXXCKEOLUTWXLJ-LBPRGKRZSA-N 0 0 237.387 3.675 20 0 BHADRN O=C(C1=CCCCCC1)N1CCC2(CCCC2)C1 ZINC000773031419 585629652 /nfs/dbraw/zinc/62/96/52/585629652.db2.gz CYDUNWBUKDXTFH-UHFFFAOYSA-N 0 0 247.382 3.670 20 0 BHADRN CC[C@@H]([NH2+][C@H]1C=CCCC1)c1ccccc1OC ZINC000773039190 585629885 /nfs/dbraw/zinc/62/98/85/585629885.db2.gz CZMIEOMSKXHMIP-DZGCQCFKSA-N 0 0 245.366 3.845 20 0 BHADRN CC[C@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1OC ZINC000773039193 585629940 /nfs/dbraw/zinc/62/99/40/585629940.db2.gz CZMIEOMSKXHMIP-HIFRSBDPSA-N 0 0 245.366 3.845 20 0 BHADRN CC[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1OC ZINC000773039195 585629948 /nfs/dbraw/zinc/62/99/48/585629948.db2.gz CZMIEOMSKXHMIP-UKRRQHHQSA-N 0 0 245.366 3.845 20 0 BHADRN CC[C@H]([NH2+][C@H]1C=CCCC1)c1ccccc1OC ZINC000773039196 585629965 /nfs/dbraw/zinc/62/99/65/585629965.db2.gz CZMIEOMSKXHMIP-ZFWWWQNUSA-N 0 0 245.366 3.845 20 0 BHADRN CCC(C)(C)N(C)C(=O)/C(C)=C\C(C)(C)C ZINC000773074703 585630596 /nfs/dbraw/zinc/63/05/96/585630596.db2.gz ZPSXEPIPNHMEEE-KHPPLWFESA-N 0 0 225.376 3.626 20 0 BHADRN CCC(C)(C)N(C)C(=O)/C(C)=C/C(C)(C)C ZINC000773074704 585630589 /nfs/dbraw/zinc/63/05/89/585630589.db2.gz ZPSXEPIPNHMEEE-ZHACJKMWSA-N 0 0 225.376 3.626 20 0 BHADRN Cc1scc(C(=O)Oc2ccccc2)c1C ZINC000773209163 585633697 /nfs/dbraw/zinc/63/36/97/585633697.db2.gz IAPZKZJMNSPKEB-UHFFFAOYSA-N 0 0 232.304 3.584 20 0 BHADRN CSCCSCCCc1ccccc1 ZINC000773211485 585633832 /nfs/dbraw/zinc/63/38/32/585633832.db2.gz BYEFZTNSRZMBJD-UHFFFAOYSA-N 0 0 226.410 3.715 20 0 BHADRN COc1ccccc1[C@H](C)SCCSC ZINC000773211558 585634010 /nfs/dbraw/zinc/63/40/10/585634010.db2.gz CDNQBKJGLJYLKE-JTQLQIEISA-N 0 0 242.409 3.852 20 0 BHADRN COc1ccccc1[C@@H](C)SCCSC ZINC000773211576 585633869 /nfs/dbraw/zinc/63/38/69/585633869.db2.gz CDNQBKJGLJYLKE-SNVBAGLBSA-N 0 0 242.409 3.852 20 0 BHADRN CSCCS[C@@H]1CCc2ccccc21 ZINC000773214590 585633954 /nfs/dbraw/zinc/63/39/54/585633954.db2.gz YMXUHCBBZJGSHU-GFCCVEGCSA-N 0 0 224.394 3.770 20 0 BHADRN CSCCS[C@H]1CCc2ccccc21 ZINC000773214601 585633960 /nfs/dbraw/zinc/63/39/60/585633960.db2.gz YMXUHCBBZJGSHU-LBPRGKRZSA-N 0 0 224.394 3.770 20 0 BHADRN Cc1cccc(C)c1NC(=O)C1(F)CCCC1 ZINC000773215563 585633974 /nfs/dbraw/zinc/63/39/74/585633974.db2.gz UOBLWLWKRIXPSJ-UHFFFAOYSA-N 0 0 235.302 3.524 20 0 BHADRN CSCCSCc1ccc(C)c(C)c1 ZINC000773215912 585633892 /nfs/dbraw/zinc/63/38/92/585633892.db2.gz HRESHLXZXUHXKP-UHFFFAOYSA-N 0 0 226.410 3.900 20 0 BHADRN CSCCSCc1cc(C)cc(C)c1 ZINC000773216847 585633988 /nfs/dbraw/zinc/63/39/88/585633988.db2.gz YXVNWRVRJLKTGK-UHFFFAOYSA-N 0 0 226.410 3.900 20 0 BHADRN CCCCOC(=O)c1ccc2nc(C)ccc2c1 ZINC000773218052 585633863 /nfs/dbraw/zinc/63/38/63/585633863.db2.gz BJRYOIPTGBVSNP-UHFFFAOYSA-N 0 0 243.306 3.500 20 0 BHADRN CCCCC[C@@H](C)NC(=O)CC[C@H](C)SC ZINC000773227192 585634233 /nfs/dbraw/zinc/63/42/33/585634233.db2.gz SHWDKANEVNUCSU-NEPJUHHUSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCC[C@H](C)NC(=O)CC[C@@H](C)SC ZINC000773227196 585634071 /nfs/dbraw/zinc/63/40/71/585634071.db2.gz SHWDKANEVNUCSU-NWDGAFQWSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCC[C@H](C)NC(=O)CC[C@H](C)SC ZINC000773227198 585634020 /nfs/dbraw/zinc/63/40/20/585634020.db2.gz SHWDKANEVNUCSU-RYUDHWBXSA-N 0 0 245.432 3.603 20 0 BHADRN CCCCC[C@@H](C)NC(=O)CC[C@@H](C)SC ZINC000773227200 585634195 /nfs/dbraw/zinc/63/41/95/585634195.db2.gz SHWDKANEVNUCSU-VXGBXAGGSA-N 0 0 245.432 3.603 20 0 BHADRN CC(C)(C)c1ccc(OC(=O)OCC2CC2)cc1 ZINC000773321133 585635044 /nfs/dbraw/zinc/63/50/44/585635044.db2.gz GNHLFAQEFOHNJV-UHFFFAOYSA-N 0 0 248.322 3.910 20 0 BHADRN CC(C)(C)c1cccc(OC(=O)OCC2CC2)c1 ZINC000773325012 585635065 /nfs/dbraw/zinc/63/50/65/585635065.db2.gz BCQCNHKHYVIERM-UHFFFAOYSA-N 0 0 248.322 3.910 20 0 BHADRN CC(C)C(=O)OCc1cccc(Cl)c1Cl ZINC000773354269 585635344 /nfs/dbraw/zinc/63/53/44/585635344.db2.gz KCGMBERJCILVSG-UHFFFAOYSA-N 0 0 247.121 3.693 20 0 BHADRN CCCC(=O)OCc1cccc(Cl)c1Cl ZINC000773354812 585635264 /nfs/dbraw/zinc/63/52/64/585635264.db2.gz MEWQFJFUDHCMAX-UHFFFAOYSA-N 0 0 247.121 3.837 20 0 BHADRN CCC(C)(C)CC(=O)N1CCc2cc(C)ccc21 ZINC000773380199 585635854 /nfs/dbraw/zinc/63/58/54/585635854.db2.gz DMJXHEGJQAEABO-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN CCC(CC)CC(=O)N1CCc2cc(C)ccc21 ZINC000773381027 585635752 /nfs/dbraw/zinc/63/57/52/585635752.db2.gz KAWFMZKXTVQCCH-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN CCC[C@@H](C)CC(=O)N1CCc2cc(C)ccc21 ZINC000773384212 585635827 /nfs/dbraw/zinc/63/58/27/585635827.db2.gz VQUSSFRXIAAWQB-GFCCVEGCSA-N 0 0 245.366 3.710 20 0 BHADRN CCC[C@H](C)CC(=O)N1CCc2cc(C)ccc21 ZINC000773384213 585635692 /nfs/dbraw/zinc/63/56/92/585635692.db2.gz VQUSSFRXIAAWQB-LBPRGKRZSA-N 0 0 245.366 3.710 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000773397621 585636176 /nfs/dbraw/zinc/63/61/76/585636176.db2.gz OHOIYTDFFZMKMY-CAUNWOGMSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000773397627 585636218 /nfs/dbraw/zinc/63/62/18/585636218.db2.gz OHOIYTDFFZMKMY-DLYMXMKDSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@H]1CC2CCC1CC2 ZINC000773397632 585636222 /nfs/dbraw/zinc/63/62/22/585636222.db2.gz OHOIYTDFFZMKMY-IWIIJNGUSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@H]1CC2CCC1CC2 ZINC000773397636 585636157 /nfs/dbraw/zinc/63/61/57/585636157.db2.gz OHOIYTDFFZMKMY-MCJKZHDVSA-N 0 0 249.398 3.674 20 0 BHADRN Cc1ccc(COC(=O)C(C)(C)C)c(Cl)c1 ZINC000773399626 585636072 /nfs/dbraw/zinc/63/60/72/585636072.db2.gz VLLOHVAXLOKVCK-UHFFFAOYSA-N 0 0 240.730 3.738 20 0 BHADRN C/C=C/C(=O)N(CC)C[C@H](CC)c1ccccc1 ZINC000773428500 585636610 /nfs/dbraw/zinc/63/66/10/585636610.db2.gz MHEIUAXEUMPBIT-DEYRLNKFSA-N 0 0 245.366 3.605 20 0 BHADRN C/C=C\C(=O)N(CC)C[C@H](CC)c1ccccc1 ZINC000773428501 585636589 /nfs/dbraw/zinc/63/65/89/585636589.db2.gz MHEIUAXEUMPBIT-IUZNHRGFSA-N 0 0 245.366 3.605 20 0 BHADRN C/C=C/C(=O)N(CC)C[C@@H](CC)c1ccccc1 ZINC000773428502 585636627 /nfs/dbraw/zinc/63/66/27/585636627.db2.gz MHEIUAXEUMPBIT-LZTOIUFZSA-N 0 0 245.366 3.605 20 0 BHADRN C/C=C\C(=O)N(CC)C[C@@H](CC)c1ccccc1 ZINC000773428954 585636572 /nfs/dbraw/zinc/63/65/72/585636572.db2.gz MHEIUAXEUMPBIT-PXTDYPQFSA-N 0 0 245.366 3.605 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC(C(C)C)C(C)C ZINC000773434079 585636921 /nfs/dbraw/zinc/63/69/21/585636921.db2.gz QCDGAKLGBZDZAQ-FMIVXFBMSA-N 0 0 239.403 3.776 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC(C(C)C)C(C)C ZINC000773434080 585636935 /nfs/dbraw/zinc/63/69/35/585636935.db2.gz QCDGAKLGBZDZAQ-XFXZXTDPSA-N 0 0 239.403 3.776 20 0 BHADRN CCN(C)c1ccc(CSC(C)C)cc1 ZINC000773442549 585636833 /nfs/dbraw/zinc/63/68/33/585636833.db2.gz QCGZOPXLGVVUDX-UHFFFAOYSA-N 0 0 223.385 3.784 20 0 BHADRN CCN(C)c1ccc(CSCCCF)cc1 ZINC000773450681 585637038 /nfs/dbraw/zinc/63/70/38/585637038.db2.gz ZOWWQJZDWPEJTI-UHFFFAOYSA-N 0 0 241.375 3.736 20 0 BHADRN FC(F)C(F)(F)CSCC1CCCC1 ZINC000773464840 644692836 /nfs/dbraw/zinc/69/28/36/644692836.db2.gz LRJAXLVJDOMQNR-UHFFFAOYSA-N 0 0 230.270 3.810 20 0 BHADRN CCCC[C@@H](CC)CC(=O)NOc1ccccc1 ZINC000773471203 585637498 /nfs/dbraw/zinc/63/74/98/585637498.db2.gz YKPNIQLDHMLUHI-CYBMUJFWSA-N 0 0 249.354 3.703 20 0 BHADRN CCCC[C@H](CC)CC(=O)NOc1ccccc1 ZINC000773471204 585022456 /nfs/dbraw/zinc/02/24/56/585022456.db2.gz YKPNIQLDHMLUHI-ZDUSSCGKSA-N 0 0 249.354 3.703 20 0 BHADRN CCCC[C@H](CCC)OC(=O)c1nccs1 ZINC000773505574 585638561 /nfs/dbraw/zinc/63/85/61/585638561.db2.gz WPAXGHWWZAIMCE-JTQLQIEISA-N 0 0 241.356 3.659 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)c1nccs1 ZINC000773505577 585638520 /nfs/dbraw/zinc/63/85/20/585638520.db2.gz WPAXGHWWZAIMCE-SNVBAGLBSA-N 0 0 241.356 3.659 20 0 BHADRN CCCC[C@H](CC)COC(=O)c1nccs1 ZINC000773512730 585638787 /nfs/dbraw/zinc/63/87/87/585638787.db2.gz RCKOVHFHSZBPJJ-JTQLQIEISA-N 0 0 241.356 3.516 20 0 BHADRN CCCC[C@@H](CC)COC(=O)c1nccs1 ZINC000773512731 585638830 /nfs/dbraw/zinc/63/88/30/585638830.db2.gz RCKOVHFHSZBPJJ-SNVBAGLBSA-N 0 0 241.356 3.516 20 0 BHADRN CCCCOC(=O)c1ccc(F)c(Cl)c1F ZINC000773546815 585640218 /nfs/dbraw/zinc/64/02/18/585640218.db2.gz OJVLYDXSTMIBRW-UHFFFAOYSA-N 0 0 248.656 3.575 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc(F)c(Cl)c1F ZINC000773552464 585640559 /nfs/dbraw/zinc/64/05/59/585640559.db2.gz JJXBLOKDMXCZNE-LURJTMIESA-N 0 0 248.656 3.574 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc(F)c(Cl)c1F ZINC000773552466 585640333 /nfs/dbraw/zinc/64/03/33/585640333.db2.gz JJXBLOKDMXCZNE-ZCFIWIBFSA-N 0 0 248.656 3.574 20 0 BHADRN CC(C)=CCSC[C@@H](O)c1cccc(F)c1 ZINC000773562311 585640438 /nfs/dbraw/zinc/64/04/38/585640438.db2.gz AXXVSZJAQFNUFT-CYBMUJFWSA-N 0 0 240.343 3.559 20 0 BHADRN CC(C)=CCSC[C@H](O)c1cccc(F)c1 ZINC000773562316 585640420 /nfs/dbraw/zinc/64/04/20/585640420.db2.gz AXXVSZJAQFNUFT-ZDUSSCGKSA-N 0 0 240.343 3.559 20 0 BHADRN CC(C)=CCSC[C@H](O)c1ccccc1C ZINC000773562518 585640321 /nfs/dbraw/zinc/64/03/21/585640321.db2.gz BSLHJTJWRFPYLT-AWEZNQCLSA-N 0 0 236.380 3.728 20 0 BHADRN CC(C)=CCSC[C@@H](O)c1ccccc1C ZINC000773562569 585640338 /nfs/dbraw/zinc/64/03/38/585640338.db2.gz BSLHJTJWRFPYLT-CQSZACIVSA-N 0 0 236.380 3.728 20 0 BHADRN CC(C)=CCSC[C@@H](O)c1ccc(F)cc1 ZINC000773564643 585640375 /nfs/dbraw/zinc/64/03/75/585640375.db2.gz KSFZKNUVRQMGNU-CYBMUJFWSA-N 0 0 240.343 3.559 20 0 BHADRN CC(C)=CCSC[C@H](O)c1ccc(F)cc1 ZINC000773564646 585640372 /nfs/dbraw/zinc/64/03/72/585640372.db2.gz KSFZKNUVRQMGNU-ZDUSSCGKSA-N 0 0 240.343 3.559 20 0 BHADRN CC(C)=CCSC[C@H](O)c1ccc(C)cc1 ZINC000773564945 585640448 /nfs/dbraw/zinc/64/04/48/585640448.db2.gz MMPRZKZEWDLVMA-AWEZNQCLSA-N 0 0 236.380 3.728 20 0 BHADRN CC(C)=CCSC[C@@H](O)c1ccc(C)cc1 ZINC000773565441 585639786 /nfs/dbraw/zinc/63/97/86/585639786.db2.gz MMPRZKZEWDLVMA-CQSZACIVSA-N 0 0 236.380 3.728 20 0 BHADRN Cc1ccc2c(c1)CCN2[C@H](C)c1ccncc1 ZINC000773646139 585641890 /nfs/dbraw/zinc/64/18/90/585641890.db2.gz RBNLAMMVFKATCR-CYBMUJFWSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1ccc2c(c1)CCN2[C@@H](C)c1ccncc1 ZINC000773646140 585642002 /nfs/dbraw/zinc/64/20/02/585642002.db2.gz RBNLAMMVFKATCR-ZDUSSCGKSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1ccc2c(c1)CCN2CCCOC(C)(C)C ZINC000773646798 585641910 /nfs/dbraw/zinc/64/19/10/585641910.db2.gz VXSUPPAKBZFUSE-UHFFFAOYSA-N 0 0 247.382 3.563 20 0 BHADRN Cc1ccc2c(c1)CCN2[C@H](C)c1cccnc1 ZINC000773646998 585641888 /nfs/dbraw/zinc/64/18/88/585641888.db2.gz XPMCTLOJBDRRQP-CYBMUJFWSA-N 0 0 238.334 3.514 20 0 BHADRN Cc1ccc2c(c1)CCN2[C@@H](C)c1cccnc1 ZINC000773646999 643857856 /nfs/dbraw/zinc/85/78/56/643857856.db2.gz XPMCTLOJBDRRQP-ZDUSSCGKSA-N 0 0 238.334 3.514 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N1CC2(C1)CCCCC2 ZINC000773720840 712415107 /nfs/dbraw/zinc/41/51/07/712415107.db2.gz HCAONTDPRUFUNN-JLHYYAGUSA-N 0 0 249.398 3.772 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N1CC2(C1)CCCCC2 ZINC000773720841 712415045 /nfs/dbraw/zinc/41/50/45/712415045.db2.gz HCAONTDPRUFUNN-RAXLEYEMSA-N 0 0 249.398 3.772 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC2(C1)CCCCC2 ZINC000773723981 712415142 /nfs/dbraw/zinc/41/51/42/712415142.db2.gz JYZAEWQEQVUFEI-OUKQBFOZSA-N 0 0 235.371 3.526 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC2(C1)CCCCC2 ZINC000773723982 712415152 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/nfs/dbraw/zinc/64/32/95/585643295.db2.gz QFTDTZSQOSISLA-ZDUSSCGKSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C=C\C(=O)N[C@@H](C)CC1CCCCC1 ZINC000773750449 585643090 /nfs/dbraw/zinc/64/30/90/585643090.db2.gz CGDHAGDVNITFIN-GXJZLWQJSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](C)CC1CCCCC1 ZINC000773750453 585643093 /nfs/dbraw/zinc/64/30/93/585643093.db2.gz CGDHAGDVNITFIN-VKUYVZBCSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)=C(C)C(=O)N[C@@H](C)CC1CCCCC1 ZINC000773754612 644696412 /nfs/dbraw/zinc/69/64/12/644696412.db2.gz QXZOXIZALAQFGJ-LBPRGKRZSA-N 0 0 237.387 3.818 20 0 BHADRN Cc1ccc2c(c1)CCN2C(=O)CCC(C)(C)C ZINC000773754894 644696284 /nfs/dbraw/zinc/69/62/84/644696284.db2.gz ABWYTZVLSIBPAX-UHFFFAOYSA-N 0 0 245.366 3.710 20 0 BHADRN CCC/C=C\C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000773758300 644695752 /nfs/dbraw/zinc/69/57/52/644695752.db2.gz RFHKLYFEPBXWDF-OTAKNEKHSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C=C/C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000773758302 644696431 /nfs/dbraw/zinc/69/64/31/644696431.db2.gz RFHKLYFEPBXWDF-WHGQRRHOSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCCCOC(=O)CC[C@@H](C)SC ZINC000773762876 585643019 /nfs/dbraw/zinc/64/30/19/585643019.db2.gz HLZBERORPNTVGM-LLVKDONJSA-N 0 0 232.389 3.642 20 0 BHADRN CCCCCCOC(=O)CC[C@H](C)SC ZINC000773762880 585643050 /nfs/dbraw/zinc/64/30/50/585643050.db2.gz HLZBERORPNTVGM-NSHDSACASA-N 0 0 232.389 3.642 20 0 BHADRN CS[C@H](C)CCC(=O)OCC1CCCCC1 ZINC000773764486 585643350 /nfs/dbraw/zinc/64/33/50/585643350.db2.gz MNLLZGJUJHTRNJ-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CS[C@@H](C)CCC(=O)OCC1CCCCC1 ZINC000773764487 585643344 /nfs/dbraw/zinc/64/33/44/585643344.db2.gz MNLLZGJUJHTRNJ-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CS[C@H](C)CCC(=O)OC1CCCCCC1 ZINC000773770240 585643751 /nfs/dbraw/zinc/64/37/51/585643751.db2.gz BYNWYPBXMMOYTL-LLVKDONJSA-N 0 0 244.400 3.784 20 0 BHADRN CS[C@@H](C)CCC(=O)OC1CCCCCC1 ZINC000773770242 585643740 /nfs/dbraw/zinc/64/37/40/585643740.db2.gz BYNWYPBXMMOYTL-NSHDSACASA-N 0 0 244.400 3.784 20 0 BHADRN CS[C@H](C)CCC(=O)OCCC1CCCC1 ZINC000773770463 585643602 /nfs/dbraw/zinc/64/36/02/585643602.db2.gz GFFLZJCWQZJUHS-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CS[C@@H](C)CCC(=O)OCCC1CCCC1 ZINC000773770464 585643631 /nfs/dbraw/zinc/64/36/31/585643631.db2.gz GFFLZJCWQZJUHS-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CS[C@H](C)CCC(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000773773646 585643603 /nfs/dbraw/zinc/64/36/03/585643603.db2.gz SXTKNEOFOPWFAF-IJLUTSLNSA-N 0 0 244.400 3.640 20 0 BHADRN CS[C@H](C)CCC(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000773773647 585643734 /nfs/dbraw/zinc/64/37/34/585643734.db2.gz SXTKNEOFOPWFAF-QJPTWQEYSA-N 0 0 244.400 3.640 20 0 BHADRN CS[C@H](C)CCC(=O)O[C@H]1CCC[C@H](C)C1 ZINC000773773648 585643559 /nfs/dbraw/zinc/64/35/59/585643559.db2.gz SXTKNEOFOPWFAF-TUAOUCFPSA-N 0 0 244.400 3.640 20 0 BHADRN CS[C@H](C)CCC(=O)O[C@H]1CCC[C@@H](C)C1 ZINC000773773649 585642894 /nfs/dbraw/zinc/64/28/94/585642894.db2.gz SXTKNEOFOPWFAF-UTUOFQBUSA-N 0 0 244.400 3.640 20 0 BHADRN CCC[C@@H](CC)OC(=O)CC[C@@H](C)SC ZINC000773800736 585644065 /nfs/dbraw/zinc/64/40/65/585644065.db2.gz HXESHZPODKFDAW-GHMZBOCLSA-N 0 0 232.389 3.640 20 0 BHADRN CCC[C@H](CC)OC(=O)CC[C@@H](C)SC ZINC000773800738 585644102 /nfs/dbraw/zinc/64/41/02/585644102.db2.gz HXESHZPODKFDAW-MNOVXSKESA-N 0 0 232.389 3.640 20 0 BHADRN CCC[C@H](CC)OC(=O)CC[C@H](C)SC ZINC000773800742 585644121 /nfs/dbraw/zinc/64/41/21/585644121.db2.gz HXESHZPODKFDAW-QWRGUYRKSA-N 0 0 232.389 3.640 20 0 BHADRN CCC[C@@H](CC)OC(=O)CC[C@H](C)SC ZINC000773801543 585644094 /nfs/dbraw/zinc/64/40/94/585644094.db2.gz HXESHZPODKFDAW-WDEREUQCSA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@@H](C)OC(=O)CC[C@@H](C)SC ZINC000773803709 585644277 /nfs/dbraw/zinc/64/42/77/585644277.db2.gz RBZXUUHWXLVPBE-GHMZBOCLSA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@@H](C)OC(=O)CC[C@H](C)SC ZINC000773803710 585644362 /nfs/dbraw/zinc/64/43/62/585644362.db2.gz RBZXUUHWXLVPBE-MNOVXSKESA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@H](C)OC(=O)CC[C@H](C)SC ZINC000773803712 585644314 /nfs/dbraw/zinc/64/43/14/585644314.db2.gz RBZXUUHWXLVPBE-QWRGUYRKSA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@H](C)OC(=O)CC[C@@H](C)SC ZINC000773803713 585644349 /nfs/dbraw/zinc/64/43/49/585644349.db2.gz RBZXUUHWXLVPBE-WDEREUQCSA-N 0 0 232.389 3.640 20 0 BHADRN Clc1cccc(CN2CC[C@H]3C[C@H]32)c1Cl ZINC000773816634 585644398 /nfs/dbraw/zinc/64/43/98/585644398.db2.gz LXGRYLPIZJVIHP-GZMMTYOYSA-N 0 0 242.149 3.588 20 0 BHADRN Clc1cccc(CN2CC[C@@H]3C[C@@H]32)c1Cl ZINC000773816635 585644383 /nfs/dbraw/zinc/64/43/83/585644383.db2.gz LXGRYLPIZJVIHP-KCJUWKMLSA-N 0 0 242.149 3.588 20 0 BHADRN CS[C@H](C)CCC(=O)OCC1(C)CCCC1 ZINC000773832510 585644633 /nfs/dbraw/zinc/64/46/33/585644633.db2.gz AYCUJJYTNNIEGI-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CS[C@@H](C)CCC(=O)OCC1(C)CCCC1 ZINC000773832511 585644620 /nfs/dbraw/zinc/64/46/20/585644620.db2.gz AYCUJJYTNNIEGI-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CCCCCC(=O)O[C@H](C)c1cnccc1C ZINC000773929741 585646533 /nfs/dbraw/zinc/64/65/33/585646533.db2.gz COIBEBZPXKUFHN-GFCCVEGCSA-N 0 0 235.327 3.575 20 0 BHADRN CCCCCC(=O)O[C@@H](C)c1cnccc1C ZINC000773929742 585646525 /nfs/dbraw/zinc/64/65/25/585646525.db2.gz COIBEBZPXKUFHN-LBPRGKRZSA-N 0 0 235.327 3.575 20 0 BHADRN Cc1ccncc1[C@@H](C)OC(=O)C1(C)CCCC1 ZINC000773932152 585646774 /nfs/dbraw/zinc/64/67/74/585646774.db2.gz KRGPRJIJYSUHDI-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ccncc1[C@H](C)OC(=O)C1(C)CCCC1 ZINC000773932154 585646451 /nfs/dbraw/zinc/64/64/51/585646451.db2.gz KRGPRJIJYSUHDI-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ccncc1[C@@H](C)OC(=O)C1CCCCC1 ZINC000773934763 585646752 /nfs/dbraw/zinc/64/67/52/585646752.db2.gz SYHAFTLBSWMKLO-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ccncc1[C@H](C)OC(=O)C1CCCCC1 ZINC000773934764 585646655 /nfs/dbraw/zinc/64/66/55/585646655.db2.gz SYHAFTLBSWMKLO-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN CCC(C)(C)CC(=O)O[C@H](C)c1cnccc1C ZINC000773935557 585646715 /nfs/dbraw/zinc/64/67/15/585646715.db2.gz WIVQKAJTAGTGQU-GFCCVEGCSA-N 0 0 249.354 3.821 20 0 BHADRN CCC(C)(C)CC(=O)O[C@@H](C)c1cnccc1C ZINC000773935559 585646777 /nfs/dbraw/zinc/64/67/77/585646777.db2.gz WIVQKAJTAGTGQU-LBPRGKRZSA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ccncc1[C@@H](C)OC(=O)CC1CCCC1 ZINC000773936095 585646590 /nfs/dbraw/zinc/64/65/90/585646590.db2.gz CNTIBDJYFRSENJ-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ccncc1[C@H](C)OC(=O)CC1CCCC1 ZINC000773936096 585646721 /nfs/dbraw/zinc/64/67/21/585646721.db2.gz CNTIBDJYFRSENJ-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN CCC/C(C)=C\C(=O)O[C@@H](C)c1cnccc1C ZINC000773936334 585646598 /nfs/dbraw/zinc/64/65/98/585646598.db2.gz XIQFQSQRLNTQFO-FUWURINLSA-N 0 0 247.338 3.741 20 0 BHADRN CCC/C(C)=C\C(=O)O[C@H](C)c1cnccc1C ZINC000773936336 585646760 /nfs/dbraw/zinc/64/67/60/585646760.db2.gz XIQFQSQRLNTQFO-PRWOLLLXSA-N 0 0 247.338 3.741 20 0 BHADRN CCC/C(C)=C/C(=O)O[C@@H](C)c1cnccc1C ZINC000773936339 585646772 /nfs/dbraw/zinc/64/67/72/585646772.db2.gz XIQFQSQRLNTQFO-STRFDMGBSA-N 0 0 247.338 3.741 20 0 BHADRN CCC/C(C)=C/C(=O)O[C@H](C)c1cnccc1C ZINC000773936340 585646730 /nfs/dbraw/zinc/64/67/30/585646730.db2.gz XIQFQSQRLNTQFO-YGNAEDSMSA-N 0 0 247.338 3.741 20 0 BHADRN Cc1ccncc1[C@H](C)OC(=O)/C=C\C(C)(C)C ZINC000773937462 585646764 /nfs/dbraw/zinc/64/67/64/585646764.db2.gz LYHPPXXMLNMTFL-VFFGBVLKSA-N 0 0 247.338 3.597 20 0 BHADRN Cc1ccncc1[C@@H](C)OC(=O)/C=C/C(C)(C)C ZINC000773937463 585646757 /nfs/dbraw/zinc/64/67/57/585646757.db2.gz LYHPPXXMLNMTFL-WAFBPQNNSA-N 0 0 247.338 3.597 20 0 BHADRN Cc1ccncc1[C@H](C)OC(=O)/C=C/C(C)(C)C ZINC000773937464 585646634 /nfs/dbraw/zinc/64/66/34/585646634.db2.gz LYHPPXXMLNMTFL-WMADIVHISA-N 0 0 247.338 3.597 20 0 BHADRN Cc1ccncc1[C@@H](C)OC(=O)/C=C\C(C)(C)C ZINC000773937465 585646624 /nfs/dbraw/zinc/64/66/24/585646624.db2.gz LYHPPXXMLNMTFL-XYLWRLHESA-N 0 0 247.338 3.597 20 0 BHADRN CCC(=CC(=O)O[C@H](C)c1cnccc1C)CC ZINC000773940573 585646718 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/nfs/dbraw/zinc/64/68/60/585646860.db2.gz GYKAJUIKLAEVRV-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN CCC1(C(=O)O[C@@H](C)c2cnccc2C)CCC1 ZINC000773947391 585646970 /nfs/dbraw/zinc/64/69/70/585646970.db2.gz GYKAJUIKLAEVRV-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN CCC(CC)CC(=O)O[C@H](C)c1cnccc1C ZINC000773949827 585646899 /nfs/dbraw/zinc/64/68/99/585646899.db2.gz XDQSPUNMVOXBPQ-GFCCVEGCSA-N 0 0 249.354 3.821 20 0 BHADRN CCC(CC)CC(=O)O[C@@H](C)c1cnccc1C ZINC000773949828 585646952 /nfs/dbraw/zinc/64/69/52/585646952.db2.gz XDQSPUNMVOXBPQ-LBPRGKRZSA-N 0 0 249.354 3.821 20 0 BHADRN CCC[C@H](C)CC(=O)O[C@@H](C)c1cnccc1C ZINC000773950880 585646971 /nfs/dbraw/zinc/64/69/71/585646971.db2.gz XDIWWSZSOUFCBD-AAEUAGOBSA-N 0 0 249.354 3.821 20 0 BHADRN CCC[C@@H](C)CC(=O)O[C@H](C)c1cnccc1C ZINC000773950881 585646903 /nfs/dbraw/zinc/64/69/03/585646903.db2.gz XDIWWSZSOUFCBD-DGCLKSJQSA-N 0 0 249.354 3.821 20 0 BHADRN CCC[C@H](C)CC(=O)O[C@H](C)c1cnccc1C ZINC000773950882 585647008 /nfs/dbraw/zinc/64/70/08/585647008.db2.gz XDIWWSZSOUFCBD-WCQYABFASA-N 0 0 249.354 3.821 20 0 BHADRN CCC[C@@H](C)CC(=O)O[C@@H](C)c1cnccc1C ZINC000773950883 585646962 /nfs/dbraw/zinc/64/69/62/585646962.db2.gz XDIWWSZSOUFCBD-YPMHNXCESA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ccncc1[C@@H](C)OC(=O)CCC(C)(C)C ZINC000773954756 585647186 /nfs/dbraw/zinc/64/71/86/585647186.db2.gz DHNGRIXIUSSTMP-GFCCVEGCSA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ccncc1[C@H](C)OC(=O)CCC(C)(C)C ZINC000773954757 585647075 /nfs/dbraw/zinc/64/70/75/585647075.db2.gz DHNGRIXIUSSTMP-LBPRGKRZSA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ccncc1[C@@H](C)OC(=O)CCC1CCC1 ZINC000773956141 585025779 /nfs/dbraw/zinc/02/57/79/585025779.db2.gz GZIXSEZEXKVONM-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ccncc1[C@H](C)OC(=O)CCC1CCC1 ZINC000773956143 585025772 /nfs/dbraw/zinc/02/57/72/585025772.db2.gz GZIXSEZEXKVONM-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN CCCC1(C(=O)O[C@H](C)c2cnccc2C)CC1 ZINC000773956149 585647066 /nfs/dbraw/zinc/64/70/66/585647066.db2.gz HAPKVPGJEMRYOJ-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN CCCC1(C(=O)O[C@@H](C)c2cnccc2C)CC1 ZINC000773956151 585647134 /nfs/dbraw/zinc/64/71/34/585647134.db2.gz HAPKVPGJEMRYOJ-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN COc1ccc(OC(=O)/C(C)=C\C(C)(C)C)cc1 ZINC000773956589 585647141 /nfs/dbraw/zinc/64/71/41/585647141.db2.gz FYFOKHLPXNPFTN-KHPPLWFESA-N 0 0 248.322 3.593 20 0 BHADRN COc1ccc(OC(=O)/C(C)=C/C(C)(C)C)cc1 ZINC000773956590 585647090 /nfs/dbraw/zinc/64/70/90/585647090.db2.gz FYFOKHLPXNPFTN-ZHACJKMWSA-N 0 0 248.322 3.593 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2C[C@H]2C(C)C)cc1C ZINC000773961032 585647045 /nfs/dbraw/zinc/64/70/45/585647045.db2.gz VNUGUKADFWWWMB-KBPBESRZSA-N 0 0 232.323 3.501 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2C[C@@H]2C(C)C)cc1C ZINC000773961033 585647120 /nfs/dbraw/zinc/64/71/20/585647120.db2.gz VNUGUKADFWWWMB-KGLIPLIRSA-N 0 0 232.323 3.501 20 0 BHADRN Cc1ccc(OC(=O)[C@@H]2C[C@H]2C(C)C)cc1C ZINC000773961034 585647279 /nfs/dbraw/zinc/64/72/79/585647279.db2.gz VNUGUKADFWWWMB-UONOGXRCSA-N 0 0 232.323 3.501 20 0 BHADRN Cc1ccc(OC(=O)[C@@H]2C[C@@H]2C(C)C)cc1C ZINC000773961035 585647111 /nfs/dbraw/zinc/64/71/11/585647111.db2.gz VNUGUKADFWWWMB-ZIAGYGMSSA-N 0 0 232.323 3.501 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2C[C@@H]2C(C)C)c1C ZINC000773962199 585647203 /nfs/dbraw/zinc/64/72/03/585647203.db2.gz MYJCCDRIXXFLOE-CHWSQXEVSA-N 0 0 232.323 3.501 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2C[C@@H]2C(C)C)c1C ZINC000773962201 585647164 /nfs/dbraw/zinc/64/71/64/585647164.db2.gz MYJCCDRIXXFLOE-OLZOCXBDSA-N 0 0 232.323 3.501 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2C[C@H]2C(C)C)c1C ZINC000773962204 585647125 /nfs/dbraw/zinc/64/71/25/585647125.db2.gz MYJCCDRIXXFLOE-QWHCGFSZSA-N 0 0 232.323 3.501 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2C[C@H]2C(C)C)c1C ZINC000773962205 585647207 /nfs/dbraw/zinc/64/72/07/585647207.db2.gz MYJCCDRIXXFLOE-STQMWFEESA-N 0 0 232.323 3.501 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2CCCC2(C)C)c1 ZINC000773963396 585647422 /nfs/dbraw/zinc/64/74/22/585647422.db2.gz HHNDFBJXTXXNBT-CYBMUJFWSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000773963397 585646928 /nfs/dbraw/zinc/64/69/28/585646928.db2.gz HHNDFBJXTXXNBT-ZDUSSCGKSA-N 0 0 232.323 3.727 20 0 BHADRN CCCCCCC(=O)O[C@H](C)c1cnccc1C ZINC000773963643 585647454 /nfs/dbraw/zinc/64/74/54/585647454.db2.gz YKWQESDVUVKUME-CYBMUJFWSA-N 0 0 249.354 3.965 20 0 BHADRN O=C(Oc1ccc(F)cc1)C1=CCCCCC1 ZINC000773963795 585647419 /nfs/dbraw/zinc/64/74/19/585647419.db2.gz JRFCMASEUHAQGF-UHFFFAOYSA-N 0 0 234.270 3.622 20 0 BHADRN CCCCCCC(=O)O[C@@H](C)c1cnccc1C ZINC000773963957 585647373 /nfs/dbraw/zinc/64/73/73/585647373.db2.gz YKWQESDVUVKUME-ZDUSSCGKSA-N 0 0 249.354 3.965 20 0 BHADRN Cc1cccc(OC(=O)[C@H](C)c2ccccc2)c1 ZINC000773964409 585647449 /nfs/dbraw/zinc/64/74/49/585647449.db2.gz OOPRNLIZZCUJCY-CYBMUJFWSA-N 0 0 240.302 3.704 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](C)c2ccccc2)c1 ZINC000773964410 585647463 /nfs/dbraw/zinc/64/74/63/585647463.db2.gz OOPRNLIZZCUJCY-ZDUSSCGKSA-N 0 0 240.302 3.704 20 0 BHADRN Cc1ccccc1OC(=O)[C@H]1CCCC1(C)C ZINC000773964520 585647464 /nfs/dbraw/zinc/64/74/64/585647464.db2.gz PXDOGOOECKWZNZ-GFCCVEGCSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1ccccc1OC(=O)[C@@H]1CCCC1(C)C ZINC000773964523 585647466 /nfs/dbraw/zinc/64/74/66/585647466.db2.gz PXDOGOOECKWZNZ-LBPRGKRZSA-N 0 0 232.323 3.727 20 0 BHADRN O=C(Oc1cccc(Cl)c1)C1(F)CCCC1 ZINC000773964693 585647338 /nfs/dbraw/zinc/64/73/38/585647338.db2.gz RMIZMPCYUVEXNY-UHFFFAOYSA-N 0 0 242.677 3.528 20 0 BHADRN CC(C)[C@H]1C[C@@H]1C(=O)Oc1cccc(Cl)c1 ZINC000773964771 585647306 /nfs/dbraw/zinc/64/73/06/585647306.db2.gz SYVVMTAOPCLJQT-NEPJUHHUSA-N 0 0 238.714 3.538 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)Oc1cccc(Cl)c1 ZINC000773964772 585647494 /nfs/dbraw/zinc/64/74/94/585647494.db2.gz SYVVMTAOPCLJQT-NWDGAFQWSA-N 0 0 238.714 3.538 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1C(=O)Oc1cccc(Cl)c1 ZINC000773964773 585647401 /nfs/dbraw/zinc/64/74/01/585647401.db2.gz SYVVMTAOPCLJQT-RYUDHWBXSA-N 0 0 238.714 3.538 20 0 BHADRN CC(C)[C@H]1C[C@H]1C(=O)Oc1cccc(Cl)c1 ZINC000773964822 585647302 /nfs/dbraw/zinc/64/73/02/585647302.db2.gz SYVVMTAOPCLJQT-VXGBXAGGSA-N 0 0 238.714 3.538 20 0 BHADRN O=C(Oc1cccc(F)c1)C1=CCCCCC1 ZINC000773964879 585647493 /nfs/dbraw/zinc/64/74/93/585647493.db2.gz UECREBKHJBSNDH-UHFFFAOYSA-N 0 0 234.270 3.622 20 0 BHADRN Cc1ccccc1OC(=O)[C@H](C)c1ccccc1 ZINC000773964995 585647446 /nfs/dbraw/zinc/64/74/46/585647446.db2.gz WBVCRULNTTXQCE-CYBMUJFWSA-N 0 0 240.302 3.704 20 0 BHADRN Cc1ccccc1OC(=O)[C@@H](C)c1ccccc1 ZINC000773964996 585647396 /nfs/dbraw/zinc/64/73/96/585647396.db2.gz WBVCRULNTTXQCE-ZDUSSCGKSA-N 0 0 240.302 3.704 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)OCc1cccs1 ZINC000773995937 585647833 /nfs/dbraw/zinc/64/78/33/585647833.db2.gz JTDGFORUSJWTMA-CSKARUKUSA-N 0 0 238.352 3.784 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)OCc1cccs1 ZINC000773995938 585647867 /nfs/dbraw/zinc/64/78/67/585647867.db2.gz JTDGFORUSJWTMA-NTMALXAHSA-N 0 0 238.352 3.784 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)OCc1cccs1 ZINC000773996473 585647926 /nfs/dbraw/zinc/64/79/26/585647926.db2.gz NDNVBRWRTSGCFG-LLVKDONJSA-N 0 0 238.352 3.618 20 0 BHADRN CC1(C)CCC[C@H]1C(=O)OCc1cccs1 ZINC000773996474 585647862 /nfs/dbraw/zinc/64/78/62/585647862.db2.gz NDNVBRWRTSGCFG-NSHDSACASA-N 0 0 238.352 3.618 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)OCc1cccs1 ZINC000773996885 585647932 /nfs/dbraw/zinc/64/79/32/585647932.db2.gz RVGGLROIXQFOOM-JTQLQIEISA-N 0 0 240.368 3.864 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)OCc1cccs1 ZINC000773996887 585647891 /nfs/dbraw/zinc/64/78/91/585647891.db2.gz RVGGLROIXQFOOM-SNVBAGLBSA-N 0 0 240.368 3.864 20 0 BHADRN O=C(OCc1cccs1)C1=CCCCCC1 ZINC000773996899 585647892 /nfs/dbraw/zinc/64/78/92/585647892.db2.gz SFPKEVXNCQGJBJ-UHFFFAOYSA-N 0 0 236.336 3.682 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccc2occ(C)c2c1 ZINC000773999034 585648006 /nfs/dbraw/zinc/64/80/06/585648006.db2.gz PEYYHFFYCCUINE-ICWBMWKASA-N 0 0 241.290 3.812 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)[C@H](C)c1ccccc1 ZINC000774002326 585648109 /nfs/dbraw/zinc/64/81/09/585648109.db2.gz ADTFDGQSQXXOBZ-CHWSQXEVSA-N 0 0 234.339 3.768 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)[C@@H](C)c1ccccc1 ZINC000774002327 585647997 /nfs/dbraw/zinc/64/79/97/585647997.db2.gz ADTFDGQSQXXOBZ-OLZOCXBDSA-N 0 0 234.339 3.768 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@H](C)c1ccccc1 ZINC000774002328 585648008 /nfs/dbraw/zinc/64/80/08/585648008.db2.gz ADTFDGQSQXXOBZ-QWHCGFSZSA-N 0 0 234.339 3.768 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@@H](C)c1ccccc1 ZINC000774002329 585648036 /nfs/dbraw/zinc/64/80/36/585648036.db2.gz ADTFDGQSQXXOBZ-STQMWFEESA-N 0 0 234.339 3.768 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)Cc1ccoc1 ZINC000774003039 585648210 /nfs/dbraw/zinc/64/82/10/585648210.db2.gz DWIBBPVDXGLNJN-GFCCVEGCSA-N 0 0 238.327 3.724 20 0 BHADRN CCCCCC[C@H](C)OC(=O)Cc1ccoc1 ZINC000774003041 585648065 /nfs/dbraw/zinc/64/80/65/585648065.db2.gz DWIBBPVDXGLNJN-LBPRGKRZSA-N 0 0 238.327 3.724 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1C(=O)O[C@H]1CCc2ccccc21 ZINC000774003127 585648003 /nfs/dbraw/zinc/64/80/03/585648003.db2.gz FXLDWRMLAIWWHI-KKUMJFAQSA-N 0 0 244.334 3.509 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)O[C@@H]1CCc2ccccc21 ZINC000774003134 585648151 /nfs/dbraw/zinc/64/81/51/585648151.db2.gz FXLDWRMLAIWWHI-RRFJBIMHSA-N 0 0 244.334 3.509 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1C(=O)O[C@@H]1CCc2ccccc21 ZINC000774003137 585648075 /nfs/dbraw/zinc/64/80/75/585648075.db2.gz FXLDWRMLAIWWHI-SOUVJXGZSA-N 0 0 244.334 3.509 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)O[C@H]1CCc2ccccc21 ZINC000774003140 585648115 /nfs/dbraw/zinc/64/81/15/585648115.db2.gz FXLDWRMLAIWWHI-ZNMIVQPWSA-N 0 0 244.334 3.509 20 0 BHADRN O=C(OC1CCCCCC1)C1(F)CCCC1 ZINC000774003855 585648182 /nfs/dbraw/zinc/64/81/82/585648182.db2.gz JPJCWMVVVRQYJJ-UHFFFAOYSA-N 0 0 228.307 3.535 20 0 BHADRN C[C@H](C(=O)OC[C@H]1CC=CCC1)c1ccccc1 ZINC000774048234 585649075 /nfs/dbraw/zinc/64/90/75/585649075.db2.gz NRYRYHBWWLQGGL-KBPBESRZSA-N 0 0 244.334 3.690 20 0 BHADRN C[C@@H](C(=O)OC[C@H]1CC=CCC1)c1ccccc1 ZINC000774048236 585649107 /nfs/dbraw/zinc/64/91/07/585649107.db2.gz NRYRYHBWWLQGGL-KGLIPLIRSA-N 0 0 244.334 3.690 20 0 BHADRN C[C@H](C(=O)OC[C@@H]1CC=CCC1)c1ccccc1 ZINC000774048238 585648962 /nfs/dbraw/zinc/64/89/62/585648962.db2.gz NRYRYHBWWLQGGL-UONOGXRCSA-N 0 0 244.334 3.690 20 0 BHADRN C[C@@H](C(=O)OC[C@@H]1CC=CCC1)c1ccccc1 ZINC000774048240 585649105 /nfs/dbraw/zinc/64/91/05/585649105.db2.gz NRYRYHBWWLQGGL-ZIAGYGMSSA-N 0 0 244.334 3.690 20 0 BHADRN CCCCCC[C@H](C)OC(=O)c1nccs1 ZINC000774052415 585649133 /nfs/dbraw/zinc/64/91/33/585649133.db2.gz JRDWXADFACQTNA-JTQLQIEISA-N 0 0 241.356 3.659 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)c1nccs1 ZINC000774052429 585649130 /nfs/dbraw/zinc/64/91/30/585649130.db2.gz JRDWXADFACQTNA-SNVBAGLBSA-N 0 0 241.356 3.659 20 0 BHADRN Cc1occc1COC(=O)[C@@H](C)CC(C)(C)C ZINC000774084230 585649507 /nfs/dbraw/zinc/64/95/07/585649507.db2.gz BPCZYGAZXBWXHD-JTQLQIEISA-N 0 0 238.327 3.704 20 0 BHADRN Cc1occc1COC(=O)[C@H](C)CC(C)(C)C ZINC000774084232 585649404 /nfs/dbraw/zinc/64/94/04/585649404.db2.gz BPCZYGAZXBWXHD-SNVBAGLBSA-N 0 0 238.327 3.704 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)OCc1ccoc1C ZINC000774084834 585649059 /nfs/dbraw/zinc/64/90/59/585649059.db2.gz GDOVIZQOHNGCEK-CSKARUKUSA-N 0 0 236.311 3.624 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)OCc1ccoc1C ZINC000774084835 585649005 /nfs/dbraw/zinc/64/90/05/585649005.db2.gz GDOVIZQOHNGCEK-NTMALXAHSA-N 0 0 236.311 3.624 20 0 BHADRN Cc1occc1COC(=O)C1=CCCCCC1 ZINC000774086100 585649655 /nfs/dbraw/zinc/64/96/55/585649655.db2.gz RIKUXGYEPVXOPQ-UHFFFAOYSA-N 0 0 234.295 3.522 20 0 BHADRN CCCc1cccc(CNc2ccc(F)nc2)c1 ZINC000774098078 585650326 /nfs/dbraw/zinc/65/03/26/585650326.db2.gz ATADJZIMTIHCFM-UHFFFAOYSA-N 0 0 244.313 3.785 20 0 BHADRN O=C(OCc1ccsc1)C1=CCCCCC1 ZINC000774103583 585650290 /nfs/dbraw/zinc/65/02/90/585650290.db2.gz GDJQQYKGWOEXEZ-UHFFFAOYSA-N 0 0 236.336 3.682 20 0 BHADRN CC1(C)CCC[C@@H]1C(=O)OCc1ccsc1 ZINC000774104594 585650698 /nfs/dbraw/zinc/65/06/98/585650698.db2.gz 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/nfs/dbraw/zinc/65/93/11/585659311.db2.gz WGYZGUZVDZKGMP-ZWNOBZJWSA-N 0 0 233.359 3.517 20 0 BHADRN c1cc(CSCCC2CC2)cc2c1COC2 ZINC000774538530 585661040 /nfs/dbraw/zinc/66/10/40/585661040.db2.gz CAHKQGSETQVAMD-UHFFFAOYSA-N 0 0 234.364 3.750 20 0 BHADRN CCC/C=C\C(=O)NCC(C)(C)C1=CCCCC1 ZINC000774538719 585660965 /nfs/dbraw/zinc/66/09/65/585660965.db2.gz DUFSRPCLHAJKHC-GHXNOFRVSA-N 0 0 249.398 3.986 20 0 BHADRN CCC/C=C/C(=O)NCC(C)(C)C1=CCCCC1 ZINC000774538721 585661015 /nfs/dbraw/zinc/66/10/15/585661015.db2.gz DUFSRPCLHAJKHC-KPKJPENVSA-N 0 0 249.398 3.986 20 0 BHADRN c1ccc2c(c1)CCO[C@H]2CSCCC1CC1 ZINC000774539514 585661030 /nfs/dbraw/zinc/66/10/30/585661030.db2.gz JBHITERGIFBAGI-HNNXBMFYSA-N 0 0 248.391 3.834 20 0 BHADRN c1ccc2c(c1)CCO[C@@H]2CSCCC1CC1 ZINC000774539516 585661085 /nfs/dbraw/zinc/66/10/85/585661085.db2.gz JBHITERGIFBAGI-OAHLLOKOSA-N 0 0 248.391 3.834 20 0 BHADRN CC(C)=C(C)C(=O)NCC(C)(C)C1=CCCCC1 ZINC000774541219 585660892 /nfs/dbraw/zinc/66/08/92/585660892.db2.gz QVBVFDCDDZNKDB-UHFFFAOYSA-N 0 0 249.398 3.986 20 0 BHADRN CCc1ccc(NCCCCCCO)cc1CC ZINC000774586904 585661440 /nfs/dbraw/zinc/66/14/40/585661440.db2.gz MQACDHAVIUKSLW-UHFFFAOYSA-N 0 0 249.398 3.776 20 0 BHADRN CCCCCSC[C@H](O)c1ccc(C)cc1 ZINC000774613394 585662182 /nfs/dbraw/zinc/66/21/82/585662182.db2.gz FOBNRFSJFFZAHT-AWEZNQCLSA-N 0 0 238.396 3.952 20 0 BHADRN CCCCCSC[C@@H](O)c1ccc(C)cc1 ZINC000774613495 585662157 /nfs/dbraw/zinc/66/21/57/585662157.db2.gz FOBNRFSJFFZAHT-CQSZACIVSA-N 0 0 238.396 3.952 20 0 BHADRN CCCCCSC[C@@H](O)c1cccc(F)c1 ZINC000774615864 585662188 /nfs/dbraw/zinc/66/21/88/585662188.db2.gz SNIZYQRYFAJOAO-CYBMUJFWSA-N 0 0 242.359 3.783 20 0 BHADRN CCCCCSC[C@H](O)c1cccc(F)c1 ZINC000774615865 585662170 /nfs/dbraw/zinc/66/21/70/585662170.db2.gz SNIZYQRYFAJOAO-ZDUSSCGKSA-N 0 0 242.359 3.783 20 0 BHADRN CCCCCSC[C@H](O)c1ccccc1C ZINC000774616004 585662166 /nfs/dbraw/zinc/66/21/66/585662166.db2.gz XCCUWDWLRJBLLV-AWEZNQCLSA-N 0 0 238.396 3.952 20 0 BHADRN CCCCCSC[C@@H](O)c1ccccc1C ZINC000774616006 585662195 /nfs/dbraw/zinc/66/21/95/585662195.db2.gz XCCUWDWLRJBLLV-CQSZACIVSA-N 0 0 238.396 3.952 20 0 BHADRN Cc1cccc(OC(=O)CC2(C)CC2)c1Cl ZINC000774649521 585662492 /nfs/dbraw/zinc/66/24/92/585662492.db2.gz FNCICKYHDIEJQS-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1cccc(OC(=O)[C@H](F)C(C)C)c1Cl ZINC000774651758 585662467 /nfs/dbraw/zinc/66/24/67/585662467.db2.gz ATZRMNHDOYDTDZ-LLVKDONJSA-N 0 0 244.693 3.548 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](F)C(C)C)c1Cl ZINC000774651761 585662713 /nfs/dbraw/zinc/66/27/13/585662713.db2.gz ATZRMNHDOYDTDZ-NSHDSACASA-N 0 0 244.693 3.548 20 0 BHADRN Cc1cccc(OC(=O)/C=C/C2CC2)c1Cl ZINC000774651861 585662650 /nfs/dbraw/zinc/66/26/50/585662650.db2.gz BHXZVNOWIYQEDO-BQYQJAHWSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1cccc(OC(=O)/C=C\C2CC2)c1Cl ZINC000774651865 585662536 /nfs/dbraw/zinc/66/25/36/585662536.db2.gz BHXZVNOWIYQEDO-FPLPWBNLSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1cccc(OC(=O)[C@H](C)C2CC2)c1Cl ZINC000774652214 585032807 /nfs/dbraw/zinc/03/28/07/585032807.db2.gz DWUOUTDCYPJRNM-SECBINFHSA-N 0 0 238.714 3.600 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](C)C2CC2)c1Cl ZINC000774652215 585032783 /nfs/dbraw/zinc/03/27/83/585032783.db2.gz DWUOUTDCYPJRNM-VIFPVBQESA-N 0 0 238.714 3.600 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](C)C(C)C)c1Cl ZINC000774652576 585662761 /nfs/dbraw/zinc/66/27/61/585662761.db2.gz FEISDMSGKLOKAS-JTQLQIEISA-N 0 0 240.730 3.846 20 0 BHADRN Cc1cccc(OC(=O)[C@H](C)C(C)C)c1Cl ZINC000774652584 585662552 /nfs/dbraw/zinc/66/25/52/585662552.db2.gz FEISDMSGKLOKAS-SNVBAGLBSA-N 0 0 240.730 3.846 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2CC2(C)C)c1Cl ZINC000774652902 585662758 /nfs/dbraw/zinc/66/27/58/585662758.db2.gz GSPMUTZPXLKHDX-SECBINFHSA-N 0 0 238.714 3.600 20 0 BHADRN C/C=C(\C)C(=O)Oc1cccc(C)c1Cl ZINC000774653425 585662551 /nfs/dbraw/zinc/66/25/51/585662551.db2.gz IJUKAEITYSXKFK-XBXARRHUSA-N 0 0 224.687 3.520 20 0 BHADRN C/C=C(/C)C(=O)Oc1cccc(C)c1Cl ZINC000774653426 585662526 /nfs/dbraw/zinc/66/25/26/585662526.db2.gz IJUKAEITYSXKFK-YWEYNIOJSA-N 0 0 224.687 3.520 20 0 BHADRN Cc1c[nH]cc1C(=O)Oc1cccc(C)c1Cl ZINC000774653647 585662661 /nfs/dbraw/zinc/66/26/61/585662661.db2.gz LIARBQNWSBMRFL-UHFFFAOYSA-N 0 0 249.697 3.504 20 0 BHADRN Cc1cccc(OC(=O)C2=CCCC2)c1Cl ZINC000774654125 585662730 /nfs/dbraw/zinc/66/27/30/585662730.db2.gz NATTXCHYRVNQMS-UHFFFAOYSA-N 0 0 236.698 3.664 20 0 BHADRN Cc1cccc(OC(=O)CCC2CC2)c1Cl ZINC000774655367 585662572 /nfs/dbraw/zinc/66/25/72/585662572.db2.gz SSPYVFVGACPTCA-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CC[C@@H](C)C(=O)Oc1cccc(C)c1Cl ZINC000774655850 585032816 /nfs/dbraw/zinc/03/28/16/585032816.db2.gz YDARQJKDYDUUFF-MRVPVSSYSA-N 0 0 226.703 3.600 20 0 BHADRN CC[C@H](C)C(=O)Oc1cccc(C)c1Cl ZINC000774655869 585032781 /nfs/dbraw/zinc/03/27/81/585032781.db2.gz YDARQJKDYDUUFF-QMMMGPOBSA-N 0 0 226.703 3.600 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2CC2(C)C)c1Cl ZINC000774656450 585662798 /nfs/dbraw/zinc/66/27/98/585662798.db2.gz GSPMUTZPXLKHDX-VIFPVBQESA-N 0 0 238.714 3.600 20 0 BHADRN Cc1cccc(OC(=O)C2CCCC2)c1Cl ZINC000774657200 585662986 /nfs/dbraw/zinc/66/29/86/585662986.db2.gz KWEVTRGYEUZVHG-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1cccc(OC(=O)CC2CCC2)c1Cl ZINC000774657859 585662884 /nfs/dbraw/zinc/66/28/84/585662884.db2.gz MACJCRUKWKQGMS-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN CCCCC(=O)Oc1cccc(C)c1Cl ZINC000774658097 585662860 /nfs/dbraw/zinc/66/28/60/585662860.db2.gz OLKXPDNETZKQAV-UHFFFAOYSA-N 0 0 226.703 3.744 20 0 BHADRN C/C=C/C=C\C(=O)Oc1cccc(C)c1Cl ZINC000774658971 585662890 /nfs/dbraw/zinc/66/28/90/585662890.db2.gz QYWJMNSBCLQYLZ-BEHOXYOFSA-N 0 0 236.698 3.686 20 0 BHADRN C/C=C/C=C/C(=O)Oc1cccc(C)c1Cl ZINC000774658974 585663008 /nfs/dbraw/zinc/66/30/08/585663008.db2.gz QYWJMNSBCLQYLZ-PRKJJMSOSA-N 0 0 236.698 3.686 20 0 BHADRN CCCCCSCOC(=O)c1ccccc1 ZINC000774659404 585662779 /nfs/dbraw/zinc/66/27/79/585662779.db2.gz PBULMBBJQFOTBV-UHFFFAOYSA-N 0 0 238.352 3.724 20 0 BHADRN CCC(C)(C)C(=O)Oc1cccc(C)c1Cl ZINC000774659904 585662954 /nfs/dbraw/zinc/66/29/54/585662954.db2.gz UZEZOMFYUYHWDI-UHFFFAOYSA-N 0 0 240.730 3.990 20 0 BHADRN CC(C)=CC(=O)Oc1cccc(C)c1Cl ZINC000774661706 585663026 /nfs/dbraw/zinc/66/30/26/585663026.db2.gz DKYKMQCDDGHSNW-UHFFFAOYSA-N 0 0 224.687 3.520 20 0 BHADRN Cc1cccc(OC(=O)C2CC=CC2)c1Cl ZINC000774662000 585663028 /nfs/dbraw/zinc/66/30/28/585663028.db2.gz GNQVKMOMSCWQJA-UHFFFAOYSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1cccc(OC(=O)C2(C)CCC2)c1Cl ZINC000774662020 585662766 /nfs/dbraw/zinc/66/27/66/585662766.db2.gz HBWFEMCMXVGJCP-UHFFFAOYSA-N 0 0 238.714 3.744 20 0 BHADRN Cc1cccc(OC(=O)CC(C)C)c1Cl ZINC000774662567 585662803 /nfs/dbraw/zinc/66/28/03/585662803.db2.gz LZJSABGZSXQACJ-UHFFFAOYSA-N 0 0 226.703 3.600 20 0 BHADRN Cc1cccc(OC(=O)CC(C)(C)C)c1Cl ZINC000774662568 585663023 /nfs/dbraw/zinc/66/30/23/585663023.db2.gz MDKSKICKHGEPCZ-UHFFFAOYSA-N 0 0 240.730 3.990 20 0 BHADRN Cc1cccc(OC(=O)C(C)(C)C)c1Cl ZINC000774663628 585662804 /nfs/dbraw/zinc/66/28/04/585662804.db2.gz PJMAPMORYHMRDF-UHFFFAOYSA-N 0 0 226.703 3.600 20 0 BHADRN Cc1cccc(OC(=O)C=C2CCC2)c1Cl ZINC000774663629 585662909 /nfs/dbraw/zinc/66/29/09/585662909.db2.gz PKJNJBWJJOJZOM-UHFFFAOYSA-N 0 0 236.698 3.664 20 0 BHADRN CCSCCSCc1cc(F)ccc1F ZINC000774674570 585662984 /nfs/dbraw/zinc/66/29/84/585662984.db2.gz IHPWSXLAXXVINS-UHFFFAOYSA-N 0 0 248.363 3.951 20 0 BHADRN CCSCCSCc1ccc(F)cc1 ZINC000774679053 585663179 /nfs/dbraw/zinc/66/31/79/585663179.db2.gz DZQZBJCOKSXIDV-UHFFFAOYSA-N 0 0 230.373 3.812 20 0 BHADRN CCSCCSCc1cccc(F)c1F ZINC000774679122 585663112 /nfs/dbraw/zinc/66/31/12/585663112.db2.gz GEGDPZLRWDXQNZ-UHFFFAOYSA-N 0 0 248.363 3.951 20 0 BHADRN CCSCCSCCCOC(C)(C)C ZINC000774679287 585663074 /nfs/dbraw/zinc/66/30/74/585663074.db2.gz IVDCIHHPJPZWMT-UHFFFAOYSA-N 0 0 236.446 3.678 20 0 BHADRN CCSCCSCc1ccc(C)cc1 ZINC000774679459 585663180 /nfs/dbraw/zinc/66/31/80/585663180.db2.gz HDLGYTYHUXNDKT-UHFFFAOYSA-N 0 0 226.410 3.981 20 0 BHADRN CCSCCSCc1ccccc1F ZINC000774679478 585663099 /nfs/dbraw/zinc/66/30/99/585663099.db2.gz IXRJAIASUACXIE-UHFFFAOYSA-N 0 0 230.373 3.812 20 0 BHADRN CCSCCSCc1cccc(F)c1 ZINC000774679489 585663078 /nfs/dbraw/zinc/66/30/78/585663078.db2.gz JHKMRDBVYTUUIS-UHFFFAOYSA-N 0 0 230.373 3.812 20 0 BHADRN CCSCCSCc1ccc(F)c(F)c1 ZINC000774680223 585663144 /nfs/dbraw/zinc/66/31/44/585663144.db2.gz OWSQQPOSZRVJDC-UHFFFAOYSA-N 0 0 248.363 3.951 20 0 BHADRN CCSCCSCc1ccc(F)cc1F ZINC000774680530 585663065 /nfs/dbraw/zinc/66/30/65/585663065.db2.gz UVBXSIOJEJJEGJ-UHFFFAOYSA-N 0 0 248.363 3.951 20 0 BHADRN CCSCCSCCc1ccccc1 ZINC000774680553 585663202 /nfs/dbraw/zinc/66/32/02/585663202.db2.gz VSOWPBIYVXXLEL-UHFFFAOYSA-N 0 0 226.410 3.715 20 0 BHADRN CCSCCSCc1cccc(C)c1 ZINC000774680962 585663122 /nfs/dbraw/zinc/66/31/22/585663122.db2.gz YFDLNZMLWLKAJS-UHFFFAOYSA-N 0 0 226.410 3.981 20 0 BHADRN CSCCSCc1ccc2c(c1)CCC2 ZINC000774684134 585663218 /nfs/dbraw/zinc/66/32/18/585663218.db2.gz SMUNOPNNZAWTRO-UHFFFAOYSA-N 0 0 238.421 3.772 20 0 BHADRN CCc1ccc(CSCCSC)cc1 ZINC000774684419 585663194 /nfs/dbraw/zinc/66/31/94/585663194.db2.gz WQLMRGADHZYSAJ-UHFFFAOYSA-N 0 0 226.410 3.845 20 0 BHADRN CSCCSCc1c(C)cccc1C ZINC000774684426 585663082 /nfs/dbraw/zinc/66/30/82/585663082.db2.gz WVXHZHUSISRSLH-UHFFFAOYSA-N 0 0 226.410 3.900 20 0 BHADRN CC[C@@H](C)C(=O)O[C@@H](C)CCCC(F)(F)F ZINC000774722414 585664218 /nfs/dbraw/zinc/66/42/18/585664218.db2.gz KVEQHLYJKYRLDS-BDAKNGLRSA-N 0 0 240.265 3.697 20 0 BHADRN CC[C@H](C)C(=O)O[C@H](C)CCCC(F)(F)F ZINC000774722416 585664312 /nfs/dbraw/zinc/66/43/12/585664312.db2.gz KVEQHLYJKYRLDS-DTWKUNHWSA-N 0 0 240.265 3.697 20 0 BHADRN CC[C@H](C)C(=O)O[C@@H](C)CCCC(F)(F)F ZINC000774722417 585664259 /nfs/dbraw/zinc/66/42/59/585664259.db2.gz KVEQHLYJKYRLDS-IUCAKERBSA-N 0 0 240.265 3.697 20 0 BHADRN CC[C@@H](C)C(=O)O[C@H](C)CCCC(F)(F)F ZINC000774722419 585664314 /nfs/dbraw/zinc/66/43/14/585664314.db2.gz KVEQHLYJKYRLDS-RKDXNWHRSA-N 0 0 240.265 3.697 20 0 BHADRN C[C@H](CCCC(F)(F)F)OC(=O)C(C)(C)C ZINC000774722868 585664256 /nfs/dbraw/zinc/66/42/56/585664256.db2.gz OBKLRJUYVGTZPI-MRVPVSSYSA-N 0 0 240.265 3.697 20 0 BHADRN C[C@@H](CCCC(F)(F)F)OC(=O)C(C)(C)C ZINC000774722870 585664224 /nfs/dbraw/zinc/66/42/24/585664224.db2.gz OBKLRJUYVGTZPI-QMMMGPOBSA-N 0 0 240.265 3.697 20 0 BHADRN C/C=C(/C)C(=O)O[C@@H](C)CCCC(F)(F)F ZINC000774724383 585664142 /nfs/dbraw/zinc/66/41/42/585664142.db2.gz SRILGZJREQUCPO-OTOXVQDCSA-N 0 0 238.249 3.617 20 0 BHADRN C/C=C(\C)C(=O)O[C@@H](C)CCCC(F)(F)F ZINC000774724386 585664334 /nfs/dbraw/zinc/66/43/34/585664334.db2.gz SRILGZJREQUCPO-SGDMMICCSA-N 0 0 238.249 3.617 20 0 BHADRN C/C=C(/C)C(=O)O[C@H](C)CCCC(F)(F)F ZINC000774724388 585664206 /nfs/dbraw/zinc/66/42/06/585664206.db2.gz SRILGZJREQUCPO-USYJTPIQSA-N 0 0 238.249 3.617 20 0 BHADRN C/C=C(\C)C(=O)O[C@H](C)CCCC(F)(F)F ZINC000774724391 585664176 /nfs/dbraw/zinc/66/41/76/585664176.db2.gz SRILGZJREQUCPO-VGANXODHSA-N 0 0 238.249 3.617 20 0 BHADRN CCCCC(=O)O[C@H](C)CCCC(F)(F)F ZINC000774736471 585664539 /nfs/dbraw/zinc/66/45/39/585664539.db2.gz KVUJISSMWMUTHV-SECBINFHSA-N 0 0 240.265 3.841 20 0 BHADRN CCCCC(=O)O[C@@H](C)CCCC(F)(F)F ZINC000774736472 585664429 /nfs/dbraw/zinc/66/44/29/585664429.db2.gz KVUJISSMWMUTHV-VIFPVBQESA-N 0 0 240.265 3.841 20 0 BHADRN CC(C)CC(=O)O[C@H](C)CCCC(F)(F)F ZINC000774737083 585664578 /nfs/dbraw/zinc/66/45/78/585664578.db2.gz MCOREGYIUGRFFH-SECBINFHSA-N 0 0 240.265 3.697 20 0 BHADRN CC(C)CC(=O)O[C@@H](C)CCCC(F)(F)F ZINC000774737084 585664617 /nfs/dbraw/zinc/66/46/17/585664617.db2.gz MCOREGYIUGRFFH-VIFPVBQESA-N 0 0 240.265 3.697 20 0 BHADRN Cc1cccc(C(=O)OC2CCC(C)(C)CC2)n1 ZINC000774762581 585665434 /nfs/dbraw/zinc/66/54/34/585665434.db2.gz PRALYZVHHNSFMI-UHFFFAOYSA-N 0 0 247.338 3.516 20 0 BHADRN Cc1ccncc1C(=O)OC1CCC(C)(C)CC1 ZINC000774762810 585665337 /nfs/dbraw/zinc/66/53/37/585665337.db2.gz UJXQXRCPIBXUHP-UHFFFAOYSA-N 0 0 247.338 3.516 20 0 BHADRN CC(C)(C)C(=O)OC1CCC(C)(C)CC1 ZINC000774763519 585665303 /nfs/dbraw/zinc/66/53/03/585665303.db2.gz ZPPNLSCXDVHWIC-UHFFFAOYSA-N 0 0 212.333 3.545 20 0 BHADRN Cc1cncc(C(=O)OC2CCC(C)(C)CC2)c1 ZINC000774768041 585665777 /nfs/dbraw/zinc/66/57/77/585665777.db2.gz BABMJKJAPIKTIJ-UHFFFAOYSA-N 0 0 247.338 3.516 20 0 BHADRN CC(C)SCC(=O)OC1CCC(C)(C)CC1 ZINC000774768278 585665578 /nfs/dbraw/zinc/66/55/78/585665578.db2.gz DKEOPALEUSPRDM-UHFFFAOYSA-N 0 0 244.400 3.640 20 0 BHADRN CSCCCC(=O)OC1CCC(C)(C)CC1 ZINC000774768491 585665710 /nfs/dbraw/zinc/66/57/10/585665710.db2.gz HYUVJYWMWJWYPK-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN Cc1cccnc1C(=O)OC1CCC(C)(C)CC1 ZINC000774768972 585035854 /nfs/dbraw/zinc/03/58/54/585035854.db2.gz MTVIZJGWGYLBGO-UHFFFAOYSA-N 0 0 247.338 3.516 20 0 BHADRN CC1(C)CCC(OC(=O)C2CC(F)(F)C2)CC1 ZINC000774769033 585665726 /nfs/dbraw/zinc/66/57/26/585665726.db2.gz OIIKTXFUVKPABV-UHFFFAOYSA-N 0 0 246.297 3.544 20 0 BHADRN CC[C@@H](SC)C(=O)OC1CCC(C)(C)CC1 ZINC000774770322 585665541 /nfs/dbraw/zinc/66/55/41/585665541.db2.gz UPAVEHOTODOODF-LLVKDONJSA-N 0 0 244.400 3.640 20 0 BHADRN CC[C@H](SC)C(=O)OC1CCC(C)(C)CC1 ZINC000774770324 585665758 /nfs/dbraw/zinc/66/57/58/585665758.db2.gz UPAVEHOTODOODF-NSHDSACASA-N 0 0 244.400 3.640 20 0 BHADRN Cc1ncccc1C(=O)OC1CCC(C)(C)CC1 ZINC000774771085 585665665 /nfs/dbraw/zinc/66/56/65/585665665.db2.gz YMGXUJYVGRONCG-UHFFFAOYSA-N 0 0 247.338 3.516 20 0 BHADRN CC(C)c1cnc(CN[C@H](C)c2ccccc2)o1 ZINC000774771759 585035957 /nfs/dbraw/zinc/03/59/57/585035957.db2.gz IXKNCPCKPAGSIE-GFCCVEGCSA-N 0 0 244.338 3.649 20 0 BHADRN CC(C)c1cnc(CN[C@@H](C)c2ccccc2)o1 ZINC000774771768 585036042 /nfs/dbraw/zinc/03/60/42/585036042.db2.gz IXKNCPCKPAGSIE-LBPRGKRZSA-N 0 0 244.338 3.649 20 0 BHADRN Cc1ccc(C(=O)OC2CCC(C)(C)CC2)nc1 ZINC000774772412 585665545 /nfs/dbraw/zinc/66/55/45/585665545.db2.gz GEEUBZIMTJCHJP-UHFFFAOYSA-N 0 0 247.338 3.516 20 0 BHADRN CC(F)(F)CCC(=O)OC1CCC(C)(C)CC1 ZINC000774773952 585665534 /nfs/dbraw/zinc/66/55/34/585665534.db2.gz QVAJJKQHFXNZQG-UHFFFAOYSA-N 0 0 248.313 3.934 20 0 BHADRN C/C=C\C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000774774558 585665773 /nfs/dbraw/zinc/66/57/73/585665773.db2.gz DZCYVLHQHUSMQX-PLNGDYQASA-N 0 0 229.279 3.564 20 0 BHADRN C/C=C/C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000774774559 585665663 /nfs/dbraw/zinc/66/56/63/585665663.db2.gz DZCYVLHQHUSMQX-SNAWJCMRSA-N 0 0 229.279 3.564 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000774776553 585665843 /nfs/dbraw/zinc/66/58/43/585665843.db2.gz PZILZHBLCNPNNT-UITAMQMPSA-N 0 0 243.306 3.954 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000774776554 585665897 /nfs/dbraw/zinc/66/58/97/585665897.db2.gz PZILZHBLCNPNNT-WEVVVXLNSA-N 0 0 243.306 3.954 20 0 BHADRN Cc1oc2ccc(NC(=O)C(C)(C)F)cc2c1C ZINC000774777190 585665866 /nfs/dbraw/zinc/66/58/66/585665866.db2.gz UPOGMIRCLXXSBW-UHFFFAOYSA-N 0 0 249.285 3.736 20 0 BHADRN Cc1cc(Cl)cc(C)c1OCc1cccnc1 ZINC000774778496 585665837 /nfs/dbraw/zinc/66/58/37/585665837.db2.gz ALYADACEEWTNSK-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN CS[C@@H](C)CC(=O)OC1CCC(C)(C)CC1 ZINC000774779578 585666023 /nfs/dbraw/zinc/66/60/23/585666023.db2.gz UTFXDGXHUIKBTH-JTQLQIEISA-N 0 0 244.400 3.640 20 0 BHADRN CS[C@H](C)CC(=O)OC1CCC(C)(C)CC1 ZINC000774779579 585665812 /nfs/dbraw/zinc/66/58/12/585665812.db2.gz UTFXDGXHUIKBTH-SNVBAGLBSA-N 0 0 244.400 3.640 20 0 BHADRN C/C(=C\C(C)(C)C)c1nc(CC(C)C)no1 ZINC000774780358 585666050 /nfs/dbraw/zinc/66/60/50/585666050.db2.gz KAHYTCVSJYRHJF-CSKARUKUSA-N 0 0 222.332 3.718 20 0 BHADRN C/C(=C/C(C)(C)C)c1nc(CC(C)C)no1 ZINC000774780359 585666049 /nfs/dbraw/zinc/66/60/49/585666049.db2.gz KAHYTCVSJYRHJF-NTMALXAHSA-N 0 0 222.332 3.718 20 0 BHADRN Fc1c(Cl)cccc1OCc1cscn1 ZINC000774790952 585666139 /nfs/dbraw/zinc/66/61/39/585666139.db2.gz BTGZEDCYUSLKNK-UHFFFAOYSA-N 0 0 243.690 3.515 20 0 BHADRN CCCCC(=O)OCc1ccc(C(C)(C)C)cn1 ZINC000774797838 585666284 /nfs/dbraw/zinc/66/62/84/585666284.db2.gz VIULHRZITUXVCA-UHFFFAOYSA-N 0 0 249.354 3.613 20 0 BHADRN CS[C@H](C)C(=O)O[C@H](C)CC1CCCCC1 ZINC000774801516 585666348 /nfs/dbraw/zinc/66/63/48/585666348.db2.gz NQYKLTWHEKCVHQ-GHMZBOCLSA-N 0 0 244.400 3.640 20 0 BHADRN CS[C@@H](C)C(=O)O[C@H](C)CC1CCCCC1 ZINC000774801519 585666355 /nfs/dbraw/zinc/66/63/55/585666355.db2.gz NQYKLTWHEKCVHQ-MNOVXSKESA-N 0 0 244.400 3.640 20 0 BHADRN CS/C=C/C(=O)O[C@H](C)CC1CCCCC1 ZINC000774802184 585666302 /nfs/dbraw/zinc/66/63/02/585666302.db2.gz RSYUOUDQHVFBQQ-ANYFNZRUSA-N 0 0 242.384 3.765 20 0 BHADRN CS/C=C\C(=O)O[C@H](C)CC1CCCCC1 ZINC000774802185 585666307 /nfs/dbraw/zinc/66/63/07/585666307.db2.gz RSYUOUDQHVFBQQ-TYBABMIJSA-N 0 0 242.384 3.765 20 0 BHADRN CSCCC(=O)O[C@@H](C)CC1CCCCC1 ZINC000774808341 585666605 /nfs/dbraw/zinc/66/66/05/585666605.db2.gz LZNXCTJVODKAKW-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN C[C@@H](CC1CCCCC1)OC(=O)c1cccnc1 ZINC000774808372 585666518 /nfs/dbraw/zinc/66/65/18/585666518.db2.gz MPDTZLGQEGFJAN-LBPRGKRZSA-N 0 0 247.338 3.597 20 0 BHADRN CS[C@@H](C)C(=O)O[C@@H](C)CC1CCCCC1 ZINC000774808954 585036183 /nfs/dbraw/zinc/03/61/83/585036183.db2.gz NQYKLTWHEKCVHQ-QWRGUYRKSA-N 0 0 244.400 3.640 20 0 BHADRN CS[C@H](C)C(=O)O[C@@H](C)CC1CCCCC1 ZINC000774808955 585036272 /nfs/dbraw/zinc/03/62/72/585036272.db2.gz NQYKLTWHEKCVHQ-WDEREUQCSA-N 0 0 244.400 3.640 20 0 BHADRN CS/C=C/C(=O)O[C@@H](C)CC1CCCCC1 ZINC000774809639 585666597 /nfs/dbraw/zinc/66/65/97/585666597.db2.gz RSYUOUDQHVFBQQ-FBOQAHMBSA-N 0 0 242.384 3.765 20 0 BHADRN CS/C=C\C(=O)O[C@@H](C)CC1CCCCC1 ZINC000774809644 585666476 /nfs/dbraw/zinc/66/64/76/585666476.db2.gz RSYUOUDQHVFBQQ-IQQGHNRFSA-N 0 0 242.384 3.765 20 0 BHADRN CSCCC(=O)O[C@H](C)CC1CCCCC1 ZINC000774813142 585666661 /nfs/dbraw/zinc/66/66/61/585666661.db2.gz LZNXCTJVODKAKW-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN C[C@H](CC1CCCCC1)OC(=O)c1cccnc1 ZINC000774813532 585666598 /nfs/dbraw/zinc/66/65/98/585666598.db2.gz MPDTZLGQEGFJAN-GFCCVEGCSA-N 0 0 247.338 3.597 20 0 BHADRN CCC(C)(C)C(=O)OCC1(c2ccccc2)CC1 ZINC000774814208 585666565 /nfs/dbraw/zinc/66/65/65/585666565.db2.gz RNGLOKZHWHOFIL-UHFFFAOYSA-N 0 0 246.350 3.698 20 0 BHADRN CC(C)[C@@H](C)C(=O)OCC1(c2ccccc2)CC1 ZINC000774818387 585666481 /nfs/dbraw/zinc/66/64/81/585666481.db2.gz MKBJSFNEAWVENZ-CYBMUJFWSA-N 0 0 246.350 3.554 20 0 BHADRN CC(C)[C@H](C)C(=O)OCC1(c2ccccc2)CC1 ZINC000774818390 585666753 /nfs/dbraw/zinc/66/67/53/585666753.db2.gz MKBJSFNEAWVENZ-ZDUSSCGKSA-N 0 0 246.350 3.554 20 0 BHADRN CCc1ccc(NCc2cccnc2)cc1CC ZINC000774823013 585667024 /nfs/dbraw/zinc/66/70/24/585667024.db2.gz DVZIPNZULCYMTI-UHFFFAOYSA-N 0 0 240.350 3.819 20 0 BHADRN CCc1ccc(NC(=O)C=C(C)C)cc1CC ZINC000774827562 585666911 /nfs/dbraw/zinc/66/69/11/585666911.db2.gz OWCXOXPOOGLWAE-UHFFFAOYSA-N 0 0 231.339 3.716 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cc(C)c(O)c(C)c1C ZINC000774837800 585666832 /nfs/dbraw/zinc/66/68/32/585666832.db2.gz JPVOOXRKVPXYME-UHFFFAOYSA-N 0 0 247.338 3.612 20 0 BHADRN Cc1cccc(OCCCCCCO)c1Cl ZINC000774840627 585667178 /nfs/dbraw/zinc/66/71/78/585667178.db2.gz TYZJGFMBERLJLQ-UHFFFAOYSA-N 0 0 242.746 3.580 20 0 BHADRN CCC/C=C/C(=O)Nc1cc(C)c(O)c(C)c1C ZINC000774847982 585667364 /nfs/dbraw/zinc/66/73/64/585667364.db2.gz VGRNTJXHKLUNOV-BQYQJAHWSA-N 0 0 247.338 3.612 20 0 BHADRN CCC/C=C\C(=O)Nc1cc(C)c(O)c(C)c1C ZINC000774847984 585667189 /nfs/dbraw/zinc/66/71/89/585667189.db2.gz VGRNTJXHKLUNOV-FPLPWBNLSA-N 0 0 247.338 3.612 20 0 BHADRN CCC/C=C/C(=O)Oc1cccc(Cl)c1F ZINC000774862479 585667930 /nfs/dbraw/zinc/66/79/30/585667930.db2.gz BVVKYOIUPZYFRK-XBXARRHUSA-N 0 0 242.677 3.741 20 0 BHADRN CCC/C=C\C(=O)Oc1cccc(Cl)c1F ZINC000774862481 585667837 /nfs/dbraw/zinc/66/78/37/585667837.db2.gz BVVKYOIUPZYFRK-YWEYNIOJSA-N 0 0 242.677 3.741 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NOC1CCCC1 ZINC000774868769 585668318 /nfs/dbraw/zinc/66/83/18/585668318.db2.gz YVCSHCVXTJDJRP-GFCCVEGCSA-N 0 0 241.375 3.583 20 0 BHADRN CCCCC[C@H](C)CC(=O)NOC1CCCC1 ZINC000774868773 585668078 /nfs/dbraw/zinc/66/80/78/585668078.db2.gz YVCSHCVXTJDJRP-LBPRGKRZSA-N 0 0 241.375 3.583 20 0 BHADRN CCCC(=CC(=O)NOC1CCCC1)CCC ZINC000774869142 585668135 /nfs/dbraw/zinc/66/81/35/585668135.db2.gz QVZAGKWVICPABZ-UHFFFAOYSA-N 0 0 239.359 3.503 20 0 BHADRN CC1(C(=O)Oc2cccc(Cl)c2F)CCC1 ZINC000774869487 585668246 /nfs/dbraw/zinc/66/82/46/585668246.db2.gz CKWBQDTYAIUZJL-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN CCC(CC)C(=O)Oc1cccc(Cl)c1F ZINC000774869538 585668305 /nfs/dbraw/zinc/66/83/05/585668305.db2.gz DOOOCZDFJAMDCG-UHFFFAOYSA-N 0 0 244.693 3.821 20 0 BHADRN CC(C)CCC(=O)Oc1cccc(Cl)c1F ZINC000774870254 585668028 /nfs/dbraw/zinc/66/80/28/585668028.db2.gz GUHMBGRYKMWZBW-UHFFFAOYSA-N 0 0 244.693 3.821 20 0 BHADRN CCC1(C(=O)Oc2cccc(Cl)c2F)CC1 ZINC000774870397 585668176 /nfs/dbraw/zinc/66/81/76/585668176.db2.gz JPQLJLUKMPFUQQ-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN CC/C=C(\C)C(=O)Oc1cccc(Cl)c1F ZINC000774871311 585668311 /nfs/dbraw/zinc/66/83/11/585668311.db2.gz PCHRLMBKVUVSFT-VMPITWQZSA-N 0 0 242.677 3.741 20 0 BHADRN CC/C=C(/C)C(=O)Oc1cccc(Cl)c1F ZINC000774871314 585668276 /nfs/dbraw/zinc/66/82/76/585668276.db2.gz PCHRLMBKVUVSFT-YVMONPNESA-N 0 0 242.677 3.741 20 0 BHADRN C/C=C/C=C/C(=O)Oc1cccc(Cl)c1F ZINC000774871357 585668293 /nfs/dbraw/zinc/66/82/93/585668293.db2.gz PMTKGSMVGLODHW-CRBCFSCISA-N 0 0 240.661 3.517 20 0 BHADRN C/C=C/C=C\C(=O)Oc1cccc(Cl)c1F ZINC000774871360 585668177 /nfs/dbraw/zinc/66/81/77/585668177.db2.gz PMTKGSMVGLODHW-HOJFPOIOSA-N 0 0 240.661 3.517 20 0 BHADRN CC(C)[C@@H](C)C(=O)Oc1cccc(Cl)c1F ZINC000774871638 585667925 /nfs/dbraw/zinc/66/79/25/585667925.db2.gz HCRYQPPDQREUBB-MRVPVSSYSA-N 0 0 244.693 3.677 20 0 BHADRN CC(C)[C@H](C)C(=O)Oc1cccc(Cl)c1F ZINC000774871639 644699054 /nfs/dbraw/zinc/69/90/54/644699054.db2.gz HCRYQPPDQREUBB-QMMMGPOBSA-N 0 0 244.693 3.677 20 0 BHADRN CC(C)(C)CC(=O)Oc1cccc(Cl)c1F ZINC000774871697 585668042 /nfs/dbraw/zinc/66/80/42/585668042.db2.gz YBWASDSPBQOIHJ-UHFFFAOYSA-N 0 0 244.693 3.821 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1cccc(Cl)c1F ZINC000774871714 585668065 /nfs/dbraw/zinc/66/80/65/585668065.db2.gz RLGXNXPAPMHFPD-MRVPVSSYSA-N 0 0 244.693 3.821 20 0 BHADRN CCC[C@H](C)C(=O)Oc1cccc(Cl)c1F ZINC000774871716 585668300 /nfs/dbraw/zinc/66/83/00/585668300.db2.gz RLGXNXPAPMHFPD-QMMMGPOBSA-N 0 0 244.693 3.821 20 0 BHADRN CCCCCC(=O)Oc1cccc(Cl)c1F ZINC000774871882 585668159 /nfs/dbraw/zinc/66/81/59/585668159.db2.gz XKVXXWPOIXOWGU-UHFFFAOYSA-N 0 0 244.693 3.965 20 0 BHADRN CCC(C)(C)C(=O)Oc1cccc(Cl)c1F ZINC000774871925 585668102 /nfs/dbraw/zinc/66/81/02/585668102.db2.gz YWMSZWMLQCHNEY-UHFFFAOYSA-N 0 0 244.693 3.821 20 0 BHADRN O=C(CCC1CC1)Oc1cccc(Cl)c1F ZINC000774878223 585668577 /nfs/dbraw/zinc/66/85/77/585668577.db2.gz GHNLUFGTBXWSFG-UHFFFAOYSA-N 0 0 242.677 3.575 20 0 BHADRN Cc1cccc(OC(=O)OC(C)(C)C)c1Cl ZINC000774929865 585669289 /nfs/dbraw/zinc/66/92/89/585669289.db2.gz KIJFPLJRQDDZNO-UHFFFAOYSA-N 0 0 242.702 3.962 20 0 BHADRN COc1c(F)cc(F)cc1NCC1(C)CCC1 ZINC000774935809 585669312 /nfs/dbraw/zinc/66/93/12/585669312.db2.gz GLWHSFCFXDQPLE-UHFFFAOYSA-N 0 0 241.281 3.576 20 0 BHADRN CSCc1cccc(NC[C@@H]2CCC=CO2)c1 ZINC000774937810 585669242 /nfs/dbraw/zinc/66/92/42/585669242.db2.gz RTLUMXCFCZRPJW-AWEZNQCLSA-N 0 0 249.379 3.654 20 0 BHADRN CSCc1cccc(NC[C@H]2CCC=CO2)c1 ZINC000774937813 585669458 /nfs/dbraw/zinc/66/94/58/585669458.db2.gz RTLUMXCFCZRPJW-CQSZACIVSA-N 0 0 249.379 3.654 20 0 BHADRN CSc1ccc(C)c(NC[C@H]2CCC=CO2)c1 ZINC000774941569 585669757 /nfs/dbraw/zinc/66/97/57/585669757.db2.gz KAHZOQWRHLOYLP-GFCCVEGCSA-N 0 0 249.379 3.822 20 0 BHADRN CSc1ccc(C)c(NC[C@@H]2CCC=CO2)c1 ZINC000774941665 585669870 /nfs/dbraw/zinc/66/98/70/585669870.db2.gz KAHZOQWRHLOYLP-LBPRGKRZSA-N 0 0 249.379 3.822 20 0 BHADRN COc1cc(SC)ccc1NCc1ccoc1 ZINC000775034046 585670752 /nfs/dbraw/zinc/67/07/52/585670752.db2.gz PTMGEXOLYXFHKF-UHFFFAOYSA-N 0 0 249.335 3.622 20 0 BHADRN CCc1ccc(NC[C@@H]2CCC=CO2)cc1CC ZINC000775047316 585670763 /nfs/dbraw/zinc/67/07/63/585670763.db2.gz KZFMNGNBTIKTIJ-INIZCTEOSA-N 0 0 245.366 3.916 20 0 BHADRN CCc1ccc(NC[C@H]2CCC=CO2)cc1CC ZINC000775047317 585670822 /nfs/dbraw/zinc/67/08/22/585670822.db2.gz KZFMNGNBTIKTIJ-MRXNPFEDSA-N 0 0 245.366 3.916 20 0 BHADRN O=C(OC/C(Cl)=C\Cl)C1=CCCCCC1 ZINC000775048140 585670876 /nfs/dbraw/zinc/67/08/76/585670876.db2.gz SLHPGBOZMSETGO-JXMROGBWSA-N 0 0 249.137 3.739 20 0 BHADRN O=C(OC/C(Cl)=C/Cl)C1=CCCCCC1 ZINC000775048141 585670759 /nfs/dbraw/zinc/67/07/59/585670759.db2.gz SLHPGBOZMSETGO-YFHOEESVSA-N 0 0 249.137 3.739 20 0 BHADRN CSc1cccc(NC[C@H]2CCC=CO2)c1C ZINC000775048364 585670768 /nfs/dbraw/zinc/67/07/68/585670768.db2.gz SPWGEVQMFUOVSO-GFCCVEGCSA-N 0 0 249.379 3.822 20 0 BHADRN CSc1cccc(NC[C@@H]2CCC=CO2)c1C ZINC000775048365 585670714 /nfs/dbraw/zinc/67/07/14/585670714.db2.gz SPWGEVQMFUOVSO-LBPRGKRZSA-N 0 0 249.379 3.822 20 0 BHADRN C[C@@H](OC(=O)C1=CCCCCC1)c1ccncc1 ZINC000775051180 585671090 /nfs/dbraw/zinc/67/10/90/585671090.db2.gz RFACTBLYHBUYDU-GFCCVEGCSA-N 0 0 245.322 3.576 20 0 BHADRN C[C@H](OC(=O)C1=CCCCCC1)c1ccncc1 ZINC000775051182 585670977 /nfs/dbraw/zinc/67/09/77/585670977.db2.gz RFACTBLYHBUYDU-LBPRGKRZSA-N 0 0 245.322 3.576 20 0 BHADRN C[C@H]1CCN(C[C@@H]2CCC=CO2)c2ccccc21 ZINC000775056875 585671159 /nfs/dbraw/zinc/67/11/59/585671159.db2.gz NWAQGWUBGXLRIZ-KBPBESRZSA-N 0 0 243.350 3.693 20 0 BHADRN C[C@@H]1CCN(C[C@@H]2CCC=CO2)c2ccccc21 ZINC000775056877 585671395 /nfs/dbraw/zinc/67/13/95/585671395.db2.gz NWAQGWUBGXLRIZ-KGLIPLIRSA-N 0 0 243.350 3.693 20 0 BHADRN C[C@H]1CCN(C[C@H]2CCC=CO2)c2ccccc21 ZINC000775056878 585671252 /nfs/dbraw/zinc/67/12/52/585671252.db2.gz NWAQGWUBGXLRIZ-UONOGXRCSA-N 0 0 243.350 3.693 20 0 BHADRN C[C@@H]1CCN(C[C@H]2CCC=CO2)c2ccccc21 ZINC000775056880 585671376 /nfs/dbraw/zinc/67/13/76/585671376.db2.gz NWAQGWUBGXLRIZ-ZIAGYGMSSA-N 0 0 243.350 3.693 20 0 BHADRN CSc1ccc(N(C)C[C@H]2CCC=CO2)cc1 ZINC000775063578 585671422 /nfs/dbraw/zinc/67/14/22/585671422.db2.gz UBGQTFFSMZUTTI-CYBMUJFWSA-N 0 0 249.379 3.537 20 0 BHADRN CSc1ccc(N(C)C[C@@H]2CCC=CO2)cc1 ZINC000775063579 585671491 /nfs/dbraw/zinc/67/14/91/585671491.db2.gz UBGQTFFSMZUTTI-ZDUSSCGKSA-N 0 0 249.379 3.537 20 0 BHADRN 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644701209 /nfs/dbraw/zinc/70/12/09/644701209.db2.gz APUPCHNAJIOTQB-LBPRGKRZSA-N 0 0 235.371 3.526 20 0 BHADRN C/C=C(\C)C(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000775201310 585673389 /nfs/dbraw/zinc/67/33/89/585673389.db2.gz DPMZHTMKYYCDRR-FMIVXFBMSA-N 0 0 239.403 3.873 20 0 BHADRN C/C=C(/C)C(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000775201312 585673298 /nfs/dbraw/zinc/67/32/98/585673298.db2.gz DPMZHTMKYYCDRR-XFXZXTDPSA-N 0 0 239.403 3.873 20 0 BHADRN CC(C)=CC(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000775203176 585673483 /nfs/dbraw/zinc/67/34/83/585673483.db2.gz OTOOYQBBYCTYGM-UHFFFAOYSA-N 0 0 239.403 3.873 20 0 BHADRN CCc1ccc(NC(=O)/C=C/SC)cc1CC ZINC000775204248 585673511 /nfs/dbraw/zinc/67/35/11/585673511.db2.gz DDBGDIZEHVJLLO-CMDGGOBGSA-N 0 0 249.379 3.627 20 0 BHADRN CCc1ccc(NC(=O)/C=C\SC)cc1CC ZINC000775204251 585673280 /nfs/dbraw/zinc/67/32/80/585673280.db2.gz DDBGDIZEHVJLLO-HJWRWDBZSA-N 0 0 249.379 3.627 20 0 BHADRN CCc1ccc(NC(=O)C=C2CCC2)cc1CC ZINC000775205749 585673464 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MNZYVGADEVVRIQ-IJLUTSLNSA-N 0 0 239.359 3.575 20 0 BHADRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC000775575230 585680830 /nfs/dbraw/zinc/68/08/30/585680830.db2.gz MNZYVGADEVVRIQ-UTUOFQBUSA-N 0 0 239.359 3.575 20 0 BHADRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC000775575233 585680732 /nfs/dbraw/zinc/68/07/32/585680732.db2.gz MNZYVGADEVVRIQ-WOPDTQHZSA-N 0 0 239.359 3.575 20 0 BHADRN Cc1ccc(N(C)Cc2ccc(C)nc2C)cc1 ZINC000775591254 585681083 /nfs/dbraw/zinc/68/10/83/585681083.db2.gz WSFQLQWSOAJOOM-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCCCCC1 ZINC000775633809 585682063 /nfs/dbraw/zinc/68/20/63/585682063.db2.gz LDZDQQUTIRQWBN-AWEZNQCLSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCCCCC1 ZINC000775633810 585682107 /nfs/dbraw/zinc/68/21/07/585682107.db2.gz LDZDQQUTIRQWBN-CQSZACIVSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC(CC)CC ZINC000775638048 585681914 /nfs/dbraw/zinc/68/19/14/585681914.db2.gz YCJOWUCIFFCNPY-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC(CC)CC ZINC000775638049 585682133 /nfs/dbraw/zinc/68/21/33/585682133.db2.gz YCJOWUCIFFCNPY-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN C[C@H](c1cccs1)[S@@](=O)CC1CCCC1 ZINC000775638980 585682088 /nfs/dbraw/zinc/68/20/88/585682088.db2.gz RETXPXVACULZRS-BMIGLBTASA-N 0 0 242.409 3.748 20 0 BHADRN C[C@@H](c1cccs1)[S@@](=O)CC1CCCC1 ZINC000775638997 585681974 /nfs/dbraw/zinc/68/19/74/585681974.db2.gz RETXPXVACULZRS-BONVTDFDSA-N 0 0 242.409 3.748 20 0 BHADRN C[C@H](c1cccs1)[S@](=O)CC1CCCC1 ZINC000775638998 585681905 /nfs/dbraw/zinc/68/19/05/585681905.db2.gz RETXPXVACULZRS-MEBBXXQBSA-N 0 0 242.409 3.748 20 0 BHADRN C[C@@H](c1cccs1)[S@](=O)CC1CCCC1 ZINC000775638999 585682081 /nfs/dbraw/zinc/68/20/81/585682081.db2.gz RETXPXVACULZRS-ZUZCIYMTSA-N 0 0 242.409 3.748 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCCC(C)C ZINC000775639177 585681919 /nfs/dbraw/zinc/68/19/19/585681919.db2.gz LUEAIUVZTCMWGS-CYBMUJFWSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCCC(C)C ZINC000775639179 585682138 /nfs/dbraw/zinc/68/21/38/585682138.db2.gz LUEAIUVZTCMWGS-ZDUSSCGKSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1cccc(O)c1 ZINC000775639751 585681935 /nfs/dbraw/zinc/68/19/35/585681935.db2.gz SSTOJPBLZAKPCO-GFCCVEGCSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1cccc(O)c1 ZINC000775639752 585681967 /nfs/dbraw/zinc/68/19/67/585681967.db2.gz SSTOJPBLZAKPCO-LBPRGKRZSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCC[C@H](CC)c1nc(CC)no1 ZINC000775642562 585682091 /nfs/dbraw/zinc/68/20/91/585682091.db2.gz ITEZKZMOHJKINT-JTQLQIEISA-N 0 0 210.321 3.706 20 0 BHADRN CCCCC[C@@H](CC)c1nc(CC)no1 ZINC000775642565 585681853 /nfs/dbraw/zinc/68/18/53/585681853.db2.gz ITEZKZMOHJKINT-SNVBAGLBSA-N 0 0 210.321 3.706 20 0 BHADRN C[C@H](c1cccc(Cl)c1F)N1CC[C@@H]2C[C@@H]21 ZINC000775645927 585682355 /nfs/dbraw/zinc/68/23/55/585682355.db2.gz COQGVEYGYNCEMD-LNLATYFQSA-N 0 0 239.721 3.634 20 0 BHADRN C[C@H](c1cccc(Cl)c1F)N1CC[C@H]2C[C@H]21 ZINC000775645930 585681734 /nfs/dbraw/zinc/68/17/34/585681734.db2.gz COQGVEYGYNCEMD-VDDIYKPWSA-N 0 0 239.721 3.634 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)CCCC ZINC000775648971 585681691 /nfs/dbraw/zinc/68/16/91/585681691.db2.gz IGKBSYNZTGDJAG-CYBMUJFWSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)CCCC ZINC000775648975 585681718 /nfs/dbraw/zinc/68/17/18/585681718.db2.gz IGKBSYNZTGDJAG-ZDUSSCGKSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC(C)(C)C ZINC000775650092 585682552 /nfs/dbraw/zinc/68/25/52/585682552.db2.gz QIGPFQGXCXJWES-LLVKDONJSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC(C)(C)C ZINC000775650094 585682473 /nfs/dbraw/zinc/68/24/73/585682473.db2.gz QIGPFQGXCXJWES-NSHDSACASA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)C1CCCC1 ZINC000775650518 585682234 /nfs/dbraw/zinc/68/22/34/585682234.db2.gz FFLVLNWNEZAVIG-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)C1CCCC1 ZINC000775650520 585682228 /nfs/dbraw/zinc/68/22/28/585682228.db2.gz FFLVLNWNEZAVIG-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC(C)(C)CC ZINC000775651084 585682537 /nfs/dbraw/zinc/68/25/37/585682537.db2.gz XDQNPBQMNMDZSA-GFCCVEGCSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC(C)(C)CC ZINC000775651085 585682587 /nfs/dbraw/zinc/68/25/87/585682587.db2.gz XDQNPBQMNMDZSA-LBPRGKRZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@H](C)CCC ZINC000775651872 585682436 /nfs/dbraw/zinc/68/24/36/585682436.db2.gz RTDLQPPTNOJISP-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H](C)CCC ZINC000775651874 585682220 /nfs/dbraw/zinc/68/22/20/585682220.db2.gz RTDLQPPTNOJISP-OLZOCXBDSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@@H](C)CCC ZINC000775651876 585681661 /nfs/dbraw/zinc/68/16/61/585681661.db2.gz RTDLQPPTNOJISP-QWHCGFSZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H](C)CCC ZINC000775651877 585681780 /nfs/dbraw/zinc/68/17/80/585681780.db2.gz RTDLQPPTNOJISP-STQMWFEESA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1C2CCC1CC2 ZINC000775652320 585682224 /nfs/dbraw/zinc/68/22/24/585682224.db2.gz LQXHIWMOYWIFQX-HSBZDZAISA-N 0 0 237.387 3.746 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1C2CCC1CC2 ZINC000775652487 585682317 /nfs/dbraw/zinc/68/23/17/585682317.db2.gz LQXHIWMOYWIFQX-IYXRBSQSSA-N 0 0 237.387 3.746 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(CC)C1CC1 ZINC000775653237 585682449 /nfs/dbraw/zinc/68/24/49/585682449.db2.gz AXLXZGJFTBHEMC-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(CC)C1CC1 ZINC000775653238 585682460 /nfs/dbraw/zinc/68/24/60/585682460.db2.gz AXLXZGJFTBHEMC-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCC1CCCC1 ZINC000775655091 585682535 /nfs/dbraw/zinc/68/25/35/585682535.db2.gz AAQIRHDPQPOUBJ-AWEZNQCLSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCC1CCCC1 ZINC000775655093 585682600 /nfs/dbraw/zinc/68/26/00/585682600.db2.gz AAQIRHDPQPOUBJ-CQSZACIVSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(CC)CCC ZINC000775656387 585682437 /nfs/dbraw/zinc/68/24/37/585682437.db2.gz GKRZCNWNQAHLLZ-CYBMUJFWSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(CC)CCC ZINC000775656388 585682295 /nfs/dbraw/zinc/68/22/95/585682295.db2.gz GKRZCNWNQAHLLZ-ZDUSSCGKSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1ccc(C)cn1 ZINC000775657121 585682588 /nfs/dbraw/zinc/68/25/88/585682588.db2.gz UXPPZEKTLCARFV-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1ccc(C)cn1 ZINC000775657122 585682609 /nfs/dbraw/zinc/68/26/09/585682609.db2.gz UXPPZEKTLCARFV-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)CC(C)C ZINC000775657339 585682303 /nfs/dbraw/zinc/68/23/03/585682303.db2.gz ZSMSWKWIRYJIKO-CYBMUJFWSA-N 0 0 227.392 3.707 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)CC(C)C ZINC000775657340 585682509 /nfs/dbraw/zinc/68/25/09/585682509.db2.gz ZSMSWKWIRYJIKO-ZDUSSCGKSA-N 0 0 227.392 3.707 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)[C@H](C)C1CC1 ZINC000775658300 585682389 /nfs/dbraw/zinc/68/23/89/585682389.db2.gz JDBYFLLBXGQRJT-CHWSQXEVSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)[C@H](C)C1CC1 ZINC000775658301 585682481 /nfs/dbraw/zinc/68/24/81/585682481.db2.gz JDBYFLLBXGQRJT-OLZOCXBDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)[C@@H](C)C1CC1 ZINC000775658302 585682501 /nfs/dbraw/zinc/68/25/01/585682501.db2.gz JDBYFLLBXGQRJT-QWHCGFSZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)[C@@H](C)C1CC1 ZINC000775658303 585682430 /nfs/dbraw/zinc/68/24/30/585682430.db2.gz JDBYFLLBXGQRJT-STQMWFEESA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1cccc(C)n1 ZINC000775663541 585682799 /nfs/dbraw/zinc/68/27/99/585682799.db2.gz MTEIKXDKWCKVEX-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1cccc(C)n1 ZINC000775663542 585682678 /nfs/dbraw/zinc/68/26/78/585682678.db2.gz MTEIKXDKWCKVEX-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1cc(C)ccn1 ZINC000775663637 585682864 /nfs/dbraw/zinc/68/28/64/585682864.db2.gz PZHVEPRVCGVTMW-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1cc(C)ccn1 ZINC000775663639 585682629 /nfs/dbraw/zinc/68/26/29/585682629.db2.gz PZHVEPRVCGVTMW-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(CC)C(C)C ZINC000775665876 585682702 /nfs/dbraw/zinc/68/27/02/585682702.db2.gz MLGNWEDUPDFBBB-CYBMUJFWSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(CC)C(C)C ZINC000775665877 585682639 /nfs/dbraw/zinc/68/26/39/585682639.db2.gz MLGNWEDUPDFBBB-ZDUSSCGKSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1ccccc1O ZINC000775667922 585682703 /nfs/dbraw/zinc/68/27/03/585682703.db2.gz OLWXJENQCGHNDY-GFCCVEGCSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1ccccc1O ZINC000775667925 585682687 /nfs/dbraw/zinc/68/26/87/585682687.db2.gz OLWXJENQCGHNDY-LBPRGKRZSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCC(C)(C)C ZINC000775672312 585682772 /nfs/dbraw/zinc/68/27/72/585682772.db2.gz KDAUCFJQJWIKIB-GFCCVEGCSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCC(C)(C)C ZINC000775672313 585682917 /nfs/dbraw/zinc/68/29/17/585682917.db2.gz KDAUCFJQJWIKIB-LBPRGKRZSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC[C@@H](C)C1CC1 ZINC000775673219 585682668 /nfs/dbraw/zinc/68/26/68/585682668.db2.gz OGMKLHMPKPTQDH-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC[C@@H](C)C1CC1 ZINC000775673220 585682853 /nfs/dbraw/zinc/68/28/53/585682853.db2.gz OGMKLHMPKPTQDH-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC[C@H](C)C1CC1 ZINC000775673221 585682634 /nfs/dbraw/zinc/68/26/34/585682634.db2.gz OGMKLHMPKPTQDH-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC[C@H](C)C1CC1 ZINC000775673222 585682840 /nfs/dbraw/zinc/68/28/40/585682840.db2.gz OGMKLHMPKPTQDH-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CC(C)CCn1nc(Cl)c2ccccc21 ZINC000775679729 585683092 /nfs/dbraw/zinc/68/30/92/585683092.db2.gz QCQIFCVRYOCHAI-UHFFFAOYSA-N 0 0 222.719 3.736 20 0 BHADRN CC[C@@H](C)Cn1nc(Cl)c2ccccc21 ZINC000775683580 585682952 /nfs/dbraw/zinc/68/29/52/585682952.db2.gz WEOPPYIMUFEKEN-SECBINFHSA-N 0 0 222.719 3.736 20 0 BHADRN CC[C@H](C)Cn1nc(Cl)c2ccccc21 ZINC000775683581 585682841 /nfs/dbraw/zinc/68/28/41/585682841.db2.gz WEOPPYIMUFEKEN-VIFPVBQESA-N 0 0 222.719 3.736 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)[C@H](C)CC ZINC000775687408 585683182 /nfs/dbraw/zinc/68/31/82/585683182.db2.gz ZBRUZNNPYMLDDN-CHWSQXEVSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)[C@H](C)CC ZINC000775687409 585683008 /nfs/dbraw/zinc/68/30/08/585683008.db2.gz ZBRUZNNPYMLDDN-OLZOCXBDSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)[C@@H](C)CC ZINC000775687410 585682945 /nfs/dbraw/zinc/68/29/45/585682945.db2.gz ZBRUZNNPYMLDDN-QWHCGFSZSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)[C@@H](C)CC ZINC000775687411 585683044 /nfs/dbraw/zinc/68/30/44/585683044.db2.gz ZBRUZNNPYMLDDN-STQMWFEESA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC[C@@H]1CC ZINC000775703071 585683422 /nfs/dbraw/zinc/68/34/22/585683422.db2.gz JFEHHCIUGXTIDV-KBPBESRZSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC[C@@H]1CC ZINC000775703072 585683421 /nfs/dbraw/zinc/68/34/21/585683421.db2.gz JFEHHCIUGXTIDV-KGLIPLIRSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC[C@H]1CC ZINC000775703073 585683271 /nfs/dbraw/zinc/68/32/71/585683271.db2.gz JFEHHCIUGXTIDV-UONOGXRCSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC[C@H]1CC ZINC000775703075 585683574 /nfs/dbraw/zinc/68/35/74/585683574.db2.gz JFEHHCIUGXTIDV-ZIAGYGMSSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C(C)C)C1CC1 ZINC000775708343 585683518 /nfs/dbraw/zinc/68/35/18/585683518.db2.gz BHISSHXEMHPRIH-CYBMUJFWSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C(C)C)C1CC1 ZINC000775708346 585683385 /nfs/dbraw/zinc/68/33/85/585683385.db2.gz BHISSHXEMHPRIH-ZDUSSCGKSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(CCC)C1CC1 ZINC000775711851 583102298 /nfs/dbraw/zinc/10/22/98/583102298.db2.gz ACVXXQRDAULONP-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(CCC)C1CC1 ZINC000775711853 583102344 /nfs/dbraw/zinc/10/23/44/583102344.db2.gz ACVXXQRDAULONP-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H]1CCC[C@H]1C ZINC000775717249 585683300 /nfs/dbraw/zinc/68/33/00/585683300.db2.gz VGMQUQSEKKHGID-HZSPNIEDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H]1CCC[C@@H]1C ZINC000775717250 585683587 /nfs/dbraw/zinc/68/35/87/585683587.db2.gz VGMQUQSEKKHGID-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000775717251 585683517 /nfs/dbraw/zinc/68/35/17/585683517.db2.gz VGMQUQSEKKHGID-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H]1CCC[C@H]1C ZINC000775717252 585683444 /nfs/dbraw/zinc/68/34/44/585683444.db2.gz VGMQUQSEKKHGID-RDBSUJKOSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(CC)CC1CC1 ZINC000775736742 585683844 /nfs/dbraw/zinc/68/38/44/585683844.db2.gz JEXYWYYWUANJFA-AWEZNQCLSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(CC)CC1CC1 ZINC000775736744 585683812 /nfs/dbraw/zinc/68/38/12/585683812.db2.gz JEXYWYYWUANJFA-CQSZACIVSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCCCC1CC1 ZINC000775748811 585683714 /nfs/dbraw/zinc/68/37/14/585683714.db2.gz DJLLMOPOAZSKST-AWEZNQCLSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCCCC1CC1 ZINC000775748812 585683789 /nfs/dbraw/zinc/68/37/89/585683789.db2.gz DJLLMOPOAZSKST-CQSZACIVSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC1(C)C ZINC000775753438 585684048 /nfs/dbraw/zinc/68/40/48/585684048.db2.gz KJGMPPPTHVHYRX-GFCCVEGCSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC1(C)C ZINC000775753440 585683988 /nfs/dbraw/zinc/68/39/88/585683988.db2.gz KJGMPPPTHVHYRX-LBPRGKRZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(CC)C1CCC1 ZINC000775753715 585683971 /nfs/dbraw/zinc/68/39/71/585683971.db2.gz MJLJUOHXRCQGLJ-CYBMUJFWSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(CC)C1CCC1 ZINC000775753716 585684275 /nfs/dbraw/zinc/68/42/75/585684275.db2.gz MJLJUOHXRCQGLJ-ZDUSSCGKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000775756083 585684145 /nfs/dbraw/zinc/68/41/45/585684145.db2.gz WICKKJSOYAKOOT-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1C[C@H](C)C[C@H]1C ZINC000775756084 585684120 /nfs/dbraw/zinc/68/41/20/585684120.db2.gz WICKKJSOYAKOOT-MCIONIFRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1C[C@@H](C)C[C@H]1C ZINC000775756085 585684069 /nfs/dbraw/zinc/68/40/69/585684069.db2.gz WICKKJSOYAKOOT-MJBXVCDLSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000775756086 585684238 /nfs/dbraw/zinc/68/42/38/585684238.db2.gz WICKKJSOYAKOOT-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC(C)(C)C1CC1 ZINC000775757694 585684025 /nfs/dbraw/zinc/68/40/25/585684025.db2.gz OQRKWAJDOAGDGD-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC(C)(C)C1CC1 ZINC000775757695 585684035 /nfs/dbraw/zinc/68/40/35/585684035.db2.gz OQRKWAJDOAGDGD-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1cccc(NCc2coc(C3CC3)n2)c1F ZINC000775759720 585684112 /nfs/dbraw/zinc/68/41/12/585684112.db2.gz FVQZJXTUGRMJNM-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cc(CNc2cccc(C)c2F)c(C)o1 ZINC000775761364 585684271 /nfs/dbraw/zinc/68/42/71/585684271.db2.gz KUPVFRKDGIFCAE-UHFFFAOYSA-N 0 0 233.286 3.956 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1cccnc1C ZINC000775764100 585684165 /nfs/dbraw/zinc/68/41/65/585684165.db2.gz PUZGPWFJBVMJRF-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1cccnc1C ZINC000775764105 585684285 /nfs/dbraw/zinc/68/42/85/585684285.db2.gz PUZGPWFJBVMJRF-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000775766501 585684348 /nfs/dbraw/zinc/68/43/48/585684348.db2.gz YLIKOTNYBPSQPR-HZSPNIEDSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000775766502 585683978 /nfs/dbraw/zinc/68/39/78/585683978.db2.gz YLIKOTNYBPSQPR-IHRRRGAJSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000775766503 585684118 /nfs/dbraw/zinc/68/41/18/585684118.db2.gz YLIKOTNYBPSQPR-MCIONIFRSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000775766504 585684223 /nfs/dbraw/zinc/68/42/23/585684223.db2.gz YLIKOTNYBPSQPR-MJBXVCDLSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC1CC(C)C1 ZINC000775767963 585684575 /nfs/dbraw/zinc/68/45/75/585684575.db2.gz JAUCVQAQLPGVKX-CPCZMJQVSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC1CC(C)C1 ZINC000775767964 585684510 /nfs/dbraw/zinc/68/45/10/585684510.db2.gz JAUCVQAQLPGVKX-OTTFEQOBSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCC1(C)CC1 ZINC000775769231 585684596 /nfs/dbraw/zinc/68/45/96/585684596.db2.gz KKRMJQNXYPVRSZ-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCC1(C)CC1 ZINC000775769232 585684498 /nfs/dbraw/zinc/68/44/98/585684498.db2.gz KKRMJQNXYPVRSZ-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCC1(CC)CC1 ZINC000775770481 585684401 /nfs/dbraw/zinc/68/44/01/585684401.db2.gz DKMZWUTXUTUZKC-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCC1(CC)CC1 ZINC000775770482 585684554 /nfs/dbraw/zinc/68/45/54/585684554.db2.gz DKMZWUTXUTUZKC-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCCC1CCC1 ZINC000775771210 585683711 /nfs/dbraw/zinc/68/37/11/585683711.db2.gz URTANXXVJNAUSF-AWEZNQCLSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCCC1CCC1 ZINC000775771211 585683661 /nfs/dbraw/zinc/68/36/61/585683661.db2.gz URTANXXVJNAUSF-CQSZACIVSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCC1(C)CCC1 ZINC000775771321 585684612 /nfs/dbraw/zinc/68/46/12/585684612.db2.gz LSYPPXQIQNYRAN-CYBMUJFWSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCC1(C)CCC1 ZINC000775771322 585684629 /nfs/dbraw/zinc/68/46/29/585684629.db2.gz LSYPPXQIQNYRAN-ZDUSSCGKSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1cncc(C)c1 ZINC000775771897 585684405 /nfs/dbraw/zinc/68/44/05/585684405.db2.gz PWHTZTQVPCWXKP-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1cncc(C)c1 ZINC000775771898 585684384 /nfs/dbraw/zinc/68/43/84/585684384.db2.gz PWHTZTQVPCWXKP-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1ccc(O)cc1 ZINC000775772359 585684350 /nfs/dbraw/zinc/68/43/50/585684350.db2.gz BUHQUSXLKKXCNS-GFCCVEGCSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1ccc(O)cc1 ZINC000775772363 585684244 /nfs/dbraw/zinc/68/42/44/585684244.db2.gz BUHQUSXLKKXCNS-LBPRGKRZSA-N 0 0 249.354 3.937 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC1(C2CC2)CC1 ZINC000775775768 585684623 /nfs/dbraw/zinc/68/46/23/585684623.db2.gz ZXLZAPMSDXDNLU-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC1(C2CC2)CC1 ZINC000775775772 585684424 /nfs/dbraw/zinc/68/44/24/585684424.db2.gz ZXLZAPMSDXDNLU-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1ccc(C)nc1 ZINC000775780878 585684448 /nfs/dbraw/zinc/68/44/48/585684448.db2.gz UZDLMAYPLQAGSX-CYBMUJFWSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1ccc(C)nc1 ZINC000775780879 585684638 /nfs/dbraw/zinc/68/46/38/585684638.db2.gz UZDLMAYPLQAGSX-ZDUSSCGKSA-N 0 0 248.370 3.935 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)CCC1CC1 ZINC000775781597 585684608 /nfs/dbraw/zinc/68/46/08/585684608.db2.gz PVNWGJKRHPMFRD-AWEZNQCLSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)CCC1CC1 ZINC000775781598 585684522 /nfs/dbraw/zinc/68/45/22/585684522.db2.gz PVNWGJKRHPMFRD-CQSZACIVSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CC(C(C)C)C1 ZINC000775784512 585684973 /nfs/dbraw/zinc/68/49/73/585684973.db2.gz RDXIJPMEPMPOGZ-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC(C(C)C)C1 ZINC000775784513 585684745 /nfs/dbraw/zinc/68/47/45/585684745.db2.gz RDXIJPMEPMPOGZ-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@H](C)C1CCC1 ZINC000775786188 585684805 /nfs/dbraw/zinc/68/48/05/585684805.db2.gz RORWLNXCDNVUAP-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H](C)C1CCC1 ZINC000775786189 585684684 /nfs/dbraw/zinc/68/46/84/585684684.db2.gz RORWLNXCDNVUAP-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@@H](C)C1CCC1 ZINC000775786191 585685006 /nfs/dbraw/zinc/68/50/06/585685006.db2.gz RORWLNXCDNVUAP-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H](C)C1CCC1 ZINC000775786192 585684785 /nfs/dbraw/zinc/68/47/85/585684785.db2.gz RORWLNXCDNVUAP-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC=C(C)CC1 ZINC000775786849 585684935 /nfs/dbraw/zinc/68/49/35/585684935.db2.gz XQPIFAXRGWLAMR-AWEZNQCLSA-N 0 0 237.387 3.772 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CC=C(C)CC1 ZINC000775786850 585684975 /nfs/dbraw/zinc/68/49/75/585684975.db2.gz XQPIFAXRGWLAMR-CQSZACIVSA-N 0 0 237.387 3.772 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NOC1CCCC1 ZINC000775800183 585685387 /nfs/dbraw/zinc/68/53/87/585685387.db2.gz KWBKNMFMTVTVOS-GFCCVEGCSA-N 0 0 241.375 3.583 20 0 BHADRN CCCCC[C@H](CC)C(=O)NOC1CCCC1 ZINC000775800201 585685201 /nfs/dbraw/zinc/68/52/01/585685201.db2.gz KWBKNMFMTVTVOS-LBPRGKRZSA-N 0 0 241.375 3.583 20 0 BHADRN Cc1cccc(NC(=O)C[C@H](C)C2CC2)c1F ZINC000775807129 585685713 /nfs/dbraw/zinc/68/57/13/585685713.db2.gz CZFNZKGLUOWULN-JTQLQIEISA-N 0 0 235.302 3.509 20 0 BHADRN Cc1cccc(NC(=O)C[C@@H](C)C2CC2)c1F ZINC000775807150 585685650 /nfs/dbraw/zinc/68/56/50/585685650.db2.gz CZFNZKGLUOWULN-SNVBAGLBSA-N 0 0 235.302 3.509 20 0 BHADRN Cc1cccc(NC(=O)C=C2CCCC2)c1F ZINC000775864360 585686512 /nfs/dbraw/zinc/68/65/12/585686512.db2.gz KSVCMZGRIHFKSD-UHFFFAOYSA-N 0 0 233.286 3.573 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc(C)c1F ZINC000775864397 585686644 /nfs/dbraw/zinc/68/66/44/585686644.db2.gz MADJPGYTKCDDDO-KTKRTIGZSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc(C)c1F ZINC000775864401 585686554 /nfs/dbraw/zinc/68/65/54/585686554.db2.gz MADJPGYTKCDDDO-MDZDMXLPSA-N 0 0 235.302 3.819 20 0 BHADRN Cc1cccc(NC(=O)/C=C2/CC[C@H](C)C2)c1F ZINC000775865449 585686759 /nfs/dbraw/zinc/68/67/59/585686759.db2.gz BDRTVAQWYKVUIG-JMZICWNOSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cccc(NC(=O)/C=C2\CC[C@H](C)C2)c1F ZINC000775865450 585686845 /nfs/dbraw/zinc/68/68/45/585686845.db2.gz BDRTVAQWYKVUIG-LZAIMSLLSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cccc(NC(=O)/C=C2\CC[C@@H](C)C2)c1F ZINC000775865451 585686786 /nfs/dbraw/zinc/68/67/86/585686786.db2.gz BDRTVAQWYKVUIG-QSARLWQPSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cccc(NC(=O)/C=C2/CC[C@@H](C)C2)c1F ZINC000775865452 585686752 /nfs/dbraw/zinc/68/67/52/585686752.db2.gz BDRTVAQWYKVUIG-WJEYQPDNSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cccc(NC(=O)C=C2CCCCC2)c1F ZINC000775865498 585686657 /nfs/dbraw/zinc/68/66/57/585686657.db2.gz CKZIGAPZVHYSTN-UHFFFAOYSA-N 0 0 247.313 3.963 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC[C@H]1C(C)C ZINC000775899301 583107350 /nfs/dbraw/zinc/10/73/50/583107350.db2.gz CQCCJNFTRJHROL-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CC[C@H]1C(C)C ZINC000775899302 583107408 /nfs/dbraw/zinc/10/74/08/583107408.db2.gz CQCCJNFTRJHROL-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC[C@@H]1C(C)C ZINC000775899303 583106973 /nfs/dbraw/zinc/10/69/73/583106973.db2.gz CQCCJNFTRJHROL-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CC[C@@H]1C(C)C ZINC000775899304 583107253 /nfs/dbraw/zinc/10/72/53/583107253.db2.gz CQCCJNFTRJHROL-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CCCC(=CC(=O)N1CC[C@H]1C(C)C)CCC ZINC000775899959 585687504 /nfs/dbraw/zinc/68/75/04/585687504.db2.gz HKDWNBSOHCXGKU-AWEZNQCLSA-N 0 0 237.387 3.770 20 0 BHADRN CCCC(=CC(=O)N1CC[C@@H]1C(C)C)CCC ZINC000775899960 585687437 /nfs/dbraw/zinc/68/74/37/585687437.db2.gz HKDWNBSOHCXGKU-CQSZACIVSA-N 0 0 237.387 3.770 20 0 BHADRN CCCCCC(C)(C)C(=O)N1CC[C@@H]1C(C)C ZINC000775900601 585687482 /nfs/dbraw/zinc/68/74/82/585687482.db2.gz QVNIYFGRZCYXMY-CYBMUJFWSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC(C)(C)C(=O)N1CC[C@H]1C(C)C ZINC000775900602 585687457 /nfs/dbraw/zinc/68/74/57/585687457.db2.gz QVNIYFGRZCYXMY-ZDUSSCGKSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)[C@@H]1CCN1C(=O)C1CCCCCCC1 ZINC000775900781 585687551 /nfs/dbraw/zinc/68/75/51/585687551.db2.gz TZBLBSAQKCKNDB-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)[C@H]1CCN1C(=O)C1CCCCCCC1 ZINC000775900782 585687447 /nfs/dbraw/zinc/68/74/47/585687447.db2.gz TZBLBSAQKCKNDB-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CC[C@H]1C(C)C ZINC000775901326 585687552 /nfs/dbraw/zinc/68/75/52/585687552.db2.gz YCWDAGORZQEFJK-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CC[C@H]1C(C)C ZINC000775901328 585687358 /nfs/dbraw/zinc/68/73/58/585687358.db2.gz YCWDAGORZQEFJK-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CC[C@@H]1C(C)C ZINC000775901330 585687433 /nfs/dbraw/zinc/68/74/33/585687433.db2.gz YCWDAGORZQEFJK-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CC[C@@H]1C(C)C ZINC000775901331 585687588 /nfs/dbraw/zinc/68/75/88/585687588.db2.gz YCWDAGORZQEFJK-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CC[C@H]1C(C)C ZINC000775901494 585687507 /nfs/dbraw/zinc/68/75/07/585687507.db2.gz KYXLHJJYLJZBKU-KBPBESRZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CC[C@H]1C(C)C ZINC000775901495 585687557 /nfs/dbraw/zinc/68/75/57/585687557.db2.gz KYXLHJJYLJZBKU-KGLIPLIRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CC[C@@H]1C(C)C ZINC000775901496 585687396 /nfs/dbraw/zinc/68/73/96/585687396.db2.gz KYXLHJJYLJZBKU-UONOGXRCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CC[C@@H]1C(C)C ZINC000775901497 585687382 /nfs/dbraw/zinc/68/73/82/585687382.db2.gz KYXLHJJYLJZBKU-ZIAGYGMSSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)CCCCCC(=O)N1CC[C@H]1C(C)C ZINC000775901749 585687540 /nfs/dbraw/zinc/68/75/40/585687540.db2.gz PTLHGPBCRBXUJN-AWEZNQCLSA-N 0 0 239.403 3.850 20 0 BHADRN CC(C)CCCCCC(=O)N1CC[C@@H]1C(C)C ZINC000775901750 585687465 /nfs/dbraw/zinc/68/74/65/585687465.db2.gz PTLHGPBCRBXUJN-CQSZACIVSA-N 0 0 239.403 3.850 20 0 BHADRN C[C@H](CCCc1ccccc1)C(=O)OCC1CC1 ZINC000775923497 585687668 /nfs/dbraw/zinc/68/76/68/585687668.db2.gz JUNBBYPZAQDMQK-CYBMUJFWSA-N 0 0 246.350 3.599 20 0 BHADRN C[C@@H](CCCc1ccccc1)C(=O)OCC1CC1 ZINC000775923498 585687609 /nfs/dbraw/zinc/68/76/09/585687609.db2.gz JUNBBYPZAQDMQK-ZDUSSCGKSA-N 0 0 246.350 3.599 20 0 BHADRN CCCCC[C@H](CC)C(=O)O[C@H](C)C(=O)CC ZINC000775928678 585687905 /nfs/dbraw/zinc/68/79/05/585687905.db2.gz GFNDTWLTUATSDE-NEPJUHHUSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@@H](CC)C(=O)O[C@@H](C)C(=O)CC ZINC000775928679 585687928 /nfs/dbraw/zinc/68/79/28/585687928.db2.gz GFNDTWLTUATSDE-NWDGAFQWSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@H](CC)C(=O)O[C@@H](C)C(=O)CC ZINC000775928863 585687954 /nfs/dbraw/zinc/68/79/54/585687954.db2.gz GFNDTWLTUATSDE-RYUDHWBXSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@@H](CC)C(=O)O[C@H](C)C(=O)CC ZINC000775928864 585687823 /nfs/dbraw/zinc/68/78/23/585687823.db2.gz GFNDTWLTUATSDE-VXGBXAGGSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@@H](CC)C(=O)OCc1ccccn1 ZINC000775929976 585687878 /nfs/dbraw/zinc/68/78/78/585687878.db2.gz NSTGYPWQQXYLLJ-CYBMUJFWSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCC[C@H](CC)C(=O)OCc1ccccn1 ZINC000775929978 585687963 /nfs/dbraw/zinc/68/79/63/585687963.db2.gz NSTGYPWQQXYLLJ-ZDUSSCGKSA-N 0 0 249.354 3.731 20 0 BHADRN FC(F)C1CC(Nc2cccc3cc[nH]c32)C1 ZINC000775996669 585689054 /nfs/dbraw/zinc/68/90/54/585689054.db2.gz QQNLVKFNEZLYFU-UHFFFAOYSA-N 0 0 236.265 3.624 20 0 BHADRN CC(=O)O[C@H](c1ccc(C)cc1)C(C)(C)C ZINC000776151817 585691160 /nfs/dbraw/zinc/69/11/60/585691160.db2.gz WECXNYFYLBPQHE-CYBMUJFWSA-N 0 0 220.312 3.645 20 0 BHADRN CC(=O)O[C@@H](c1ccc(C)cc1)C(C)(C)C ZINC000776151818 585691188 /nfs/dbraw/zinc/69/11/88/585691188.db2.gz WECXNYFYLBPQHE-ZDUSSCGKSA-N 0 0 220.312 3.645 20 0 BHADRN CCC1(CC)[C@@H](Nc2ccccc2)C[C@@H]1OC ZINC000776163632 585691333 /nfs/dbraw/zinc/69/13/33/585691333.db2.gz KCBMFYVPERGGIH-KBPBESRZSA-N 0 0 233.355 3.692 20 0 BHADRN CCC1(CC)[C@H](Nc2ccccc2)C[C@@H]1OC ZINC000776163633 585691524 /nfs/dbraw/zinc/69/15/24/585691524.db2.gz KCBMFYVPERGGIH-KGLIPLIRSA-N 0 0 233.355 3.692 20 0 BHADRN CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccccc1 ZINC000776163634 585691452 /nfs/dbraw/zinc/69/14/52/585691452.db2.gz KCBMFYVPERGGIH-UONOGXRCSA-N 0 0 233.355 3.692 20 0 BHADRN CCC1(CC)[C@H](Nc2ccccc2)C[C@H]1OC ZINC000776163635 585691416 /nfs/dbraw/zinc/69/14/16/585691416.db2.gz KCBMFYVPERGGIH-ZIAGYGMSSA-N 0 0 233.355 3.692 20 0 BHADRN Cc1cccc(NCc2ncc(C(C)C)o2)c1F ZINC000776206960 585692924 /nfs/dbraw/zinc/69/29/24/585692924.db2.gz DVHXTPLVPUYYKF-UHFFFAOYSA-N 0 0 248.301 3.858 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1ncc(C)o1 ZINC000776209658 585693212 /nfs/dbraw/zinc/69/32/12/585693212.db2.gz RJGMORYIPVRQPW-LLVKDONJSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1ncc(C)o1 ZINC000776209661 585693180 /nfs/dbraw/zinc/69/31/80/585693180.db2.gz RJGMORYIPVRQPW-NSHDSACASA-N 0 0 238.331 3.528 20 0 BHADRN Cc1cc(CNc2ccc(F)c(F)c2)c(C)o1 ZINC000776251947 585693827 /nfs/dbraw/zinc/69/38/27/585693827.db2.gz DPFMXYFZCYUFFH-UHFFFAOYSA-N 0 0 237.249 3.787 20 0 BHADRN CCc1ccc(NCc2ccccn2)cc1CC ZINC000776257482 585694008 /nfs/dbraw/zinc/69/40/08/585694008.db2.gz XOAFWFLLMLEEQN-UHFFFAOYSA-N 0 0 240.350 3.819 20 0 BHADRN CCc1onc(C)c1NCc1cc(F)ccc1C ZINC000776266376 585694341 /nfs/dbraw/zinc/69/43/41/585694341.db2.gz UWEHVVRJBYTOOQ-UHFFFAOYSA-N 0 0 248.301 3.605 20 0 BHADRN FCCCSCCSc1ccccc1 ZINC000776272139 585694100 /nfs/dbraw/zinc/69/41/00/585694100.db2.gz OXYYDPWYHWYCKB-UHFFFAOYSA-N 0 0 230.373 3.872 20 0 BHADRN c1ccc(SCCSCC2CC2)cc1 ZINC000776272200 585694324 /nfs/dbraw/zinc/69/43/24/585694324.db2.gz PZZGSGJYJBFIFY-UHFFFAOYSA-N 0 0 224.394 3.922 20 0 BHADRN Cc1cccc(F)c1NCc1ncc(C(C)C)o1 ZINC000776272581 585694555 /nfs/dbraw/zinc/69/45/55/585694555.db2.gz XBVSXMHLNYMRSI-UHFFFAOYSA-N 0 0 248.301 3.858 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)Oc2ccc(Cl)cc2)C1 ZINC000776283008 585694502 /nfs/dbraw/zinc/69/45/02/585694502.db2.gz LFSRBUWPBJNKPF-NXEZZACHSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@H]1CC[C@H](C(=O)Oc2ccc(Cl)cc2)C1 ZINC000776283009 585694457 /nfs/dbraw/zinc/69/44/57/585694457.db2.gz LFSRBUWPBJNKPF-UWVGGRQHSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@H]1CC[C@@H](C(=O)Oc2ccc(Cl)cc2)C1 ZINC000776283010 585694372 /nfs/dbraw/zinc/69/43/72/585694372.db2.gz LFSRBUWPBJNKPF-VHSXEESVSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)Oc2ccc(Cl)cc2)C1 ZINC000776283011 585694431 /nfs/dbraw/zinc/69/44/31/585694431.db2.gz LFSRBUWPBJNKPF-ZJUUUORDSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)Oc2ccccc2Cl)C1 ZINC000776283456 585694396 /nfs/dbraw/zinc/69/43/96/585694396.db2.gz QUISVCDBKJPAIL-NXEZZACHSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@H]1CC[C@H](C(=O)Oc2ccccc2Cl)C1 ZINC000776283457 585694399 /nfs/dbraw/zinc/69/43/99/585694399.db2.gz QUISVCDBKJPAIL-UWVGGRQHSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@H]1CC[C@@H](C(=O)Oc2ccccc2Cl)C1 ZINC000776283458 585694536 /nfs/dbraw/zinc/69/45/36/585694536.db2.gz QUISVCDBKJPAIL-VHSXEESVSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)Oc2ccccc2Cl)C1 ZINC000776283459 585694507 /nfs/dbraw/zinc/69/45/07/585694507.db2.gz QUISVCDBKJPAIL-ZJUUUORDSA-N 0 0 238.714 3.682 20 0 BHADRN Cc1cccc(C)c1OC(=O)[C@H]1CC[C@H](C)C1 ZINC000776283493 585694191 /nfs/dbraw/zinc/69/41/91/585694191.db2.gz SMSNBOTVIXYBRP-GWCFXTLKSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cccc(C)c1OC(=O)[C@@H]1CC[C@H](C)C1 ZINC000776283494 585694261 /nfs/dbraw/zinc/69/42/61/585694261.db2.gz SMSNBOTVIXYBRP-GXFFZTMASA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cccc(C)c1OC(=O)[C@H]1CC[C@@H](C)C1 ZINC000776283495 585694255 /nfs/dbraw/zinc/69/42/55/585694255.db2.gz SMSNBOTVIXYBRP-MFKMUULPSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cccc(C)c1OC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776283496 585694203 /nfs/dbraw/zinc/69/42/03/585694203.db2.gz SMSNBOTVIXYBRP-ZWNOBZJWSA-N 0 0 232.323 3.645 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)Oc2cccc(Cl)c2)C1 ZINC000776284505 585694587 /nfs/dbraw/zinc/69/45/87/585694587.db2.gz BZBKQXWOSKBRLR-NXEZZACHSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@H]1CC[C@H](C(=O)Oc2cccc(Cl)c2)C1 ZINC000776284506 585694635 /nfs/dbraw/zinc/69/46/35/585694635.db2.gz BZBKQXWOSKBRLR-UWVGGRQHSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@H]1CC[C@@H](C(=O)Oc2cccc(Cl)c2)C1 ZINC000776284507 585694638 /nfs/dbraw/zinc/69/46/38/585694638.db2.gz BZBKQXWOSKBRLR-VHSXEESVSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)Oc2cccc(Cl)c2)C1 ZINC000776284508 585694594 /nfs/dbraw/zinc/69/45/94/585694594.db2.gz BZBKQXWOSKBRLR-ZJUUUORDSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000776284596 585694661 /nfs/dbraw/zinc/69/46/61/585694661.db2.gz AHECQUIOPYXYKE-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000776284598 585694730 /nfs/dbraw/zinc/69/47/30/585694730.db2.gz AHECQUIOPYXYKE-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000776284600 585694621 /nfs/dbraw/zinc/69/46/21/585694621.db2.gz AHECQUIOPYXYKE-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H]1CC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000776284601 585694588 /nfs/dbraw/zinc/69/45/88/585694588.db2.gz AHECQUIOPYXYKE-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000776284682 585694685 /nfs/dbraw/zinc/69/46/85/585694685.db2.gz BLLNDTQEUSIYGS-GWCFXTLKSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000776284683 585694759 /nfs/dbraw/zinc/69/47/59/585694759.db2.gz BLLNDTQEUSIYGS-GXFFZTMASA-N 0 0 232.323 3.645 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000776284684 585694607 /nfs/dbraw/zinc/69/46/07/585694607.db2.gz BLLNDTQEUSIYGS-MFKMUULPSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000776284685 585694624 /nfs/dbraw/zinc/69/46/24/585694624.db2.gz BLLNDTQEUSIYGS-ZWNOBZJWSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cc(C)cc(OC(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000776285460 585694603 /nfs/dbraw/zinc/69/46/03/585694603.db2.gz MCBXGHZSCAIMAI-GWCFXTLKSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cc(C)cc(OC(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000776285461 585694694 /nfs/dbraw/zinc/69/46/94/585694694.db2.gz MCBXGHZSCAIMAI-GXFFZTMASA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cc(C)cc(OC(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000776285462 585694575 /nfs/dbraw/zinc/69/45/75/585694575.db2.gz MCBXGHZSCAIMAI-MFKMUULPSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cc(C)cc(OC(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000776285463 585694690 /nfs/dbraw/zinc/69/46/90/585694690.db2.gz MCBXGHZSCAIMAI-ZWNOBZJWSA-N 0 0 232.323 3.645 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000776285747 585694656 /nfs/dbraw/zinc/69/46/56/585694656.db2.gz OLFPJMFLSFYLIT-AGIUHOORSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H]1CC[C@H](C)C1 ZINC000776285748 585694658 /nfs/dbraw/zinc/69/46/58/585694658.db2.gz OLFPJMFLSFYLIT-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776285749 585694710 /nfs/dbraw/zinc/69/47/10/585694710.db2.gz OLFPJMFLSFYLIT-FRRDWIJNSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000776285750 585694696 /nfs/dbraw/zinc/69/46/96/585694696.db2.gz OLFPJMFLSFYLIT-RWMBFGLXSA-N 0 0 225.376 3.508 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2CC[C@H](C)C2)cc1C ZINC000776285813 585694734 /nfs/dbraw/zinc/69/47/34/585694734.db2.gz RBWGIDQXBWAIFT-GWCFXTLKSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1ccc(OC(=O)[C@@H]2CC[C@H](C)C2)cc1C ZINC000776285814 585694620 /nfs/dbraw/zinc/69/46/20/585694620.db2.gz RBWGIDQXBWAIFT-GXFFZTMASA-N 0 0 232.323 3.645 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2CC[C@@H](C)C2)cc1C ZINC000776285816 585694701 /nfs/dbraw/zinc/69/47/01/585694701.db2.gz RBWGIDQXBWAIFT-MFKMUULPSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1ccc(OC(=O)[C@@H]2CC[C@@H](C)C2)cc1C ZINC000776285817 585694374 /nfs/dbraw/zinc/69/43/74/585694374.db2.gz RBWGIDQXBWAIFT-ZWNOBZJWSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2CC[C@H](C)C2)c1C ZINC000776291772 585694911 /nfs/dbraw/zinc/69/49/11/585694911.db2.gz YOOPYZDDMYJYCW-GWCFXTLKSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2CC[C@H](C)C2)c1C ZINC000776291773 585694958 /nfs/dbraw/zinc/69/49/58/585694958.db2.gz YOOPYZDDMYJYCW-GXFFZTMASA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2CC[C@@H](C)C2)c1C ZINC000776291774 585694889 /nfs/dbraw/zinc/69/48/89/585694889.db2.gz YOOPYZDDMYJYCW-MFKMUULPSA-N 0 0 232.323 3.645 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2CC[C@@H](C)C2)c1C ZINC000776291775 585694891 /nfs/dbraw/zinc/69/48/91/585694891.db2.gz YOOPYZDDMYJYCW-ZWNOBZJWSA-N 0 0 232.323 3.645 20 0 BHADRN C[C@@H](OC(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000776292214 585694777 /nfs/dbraw/zinc/69/47/77/585694777.db2.gz MSZMYWOOKQVFHP-BZPMIXESSA-N 0 0 232.323 3.727 20 0 BHADRN C[C@H](OC(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000776292217 585694955 /nfs/dbraw/zinc/69/49/55/585694955.db2.gz MSZMYWOOKQVFHP-DYEKYZERSA-N 0 0 232.323 3.727 20 0 BHADRN C[C@H](OC(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000776292219 585694822 /nfs/dbraw/zinc/69/48/22/585694822.db2.gz MSZMYWOOKQVFHP-MBNYWOFBSA-N 0 0 232.323 3.727 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000776292221 585694890 /nfs/dbraw/zinc/69/48/90/585694890.db2.gz MSZMYWOOKQVFHP-YRGRVCCFSA-N 0 0 232.323 3.727 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)Oc2ccc3c(c2)CCC3)C1 ZINC000776293699 585694816 /nfs/dbraw/zinc/69/48/16/585694816.db2.gz YPUZYCPRCLDODR-BXUZGUMPSA-N 0 0 244.334 3.517 20 0 BHADRN C[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)CCC3)C1 ZINC000776293700 585694834 /nfs/dbraw/zinc/69/48/34/585694834.db2.gz YPUZYCPRCLDODR-FZMZJTMJSA-N 0 0 244.334 3.517 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)Oc2ccc3c(c2)CCC3)C1 ZINC000776293701 585694982 /nfs/dbraw/zinc/69/49/82/585694982.db2.gz YPUZYCPRCLDODR-RISCZKNCSA-N 0 0 244.334 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3.898 20 0 BHADRN Cc1cc(CNc2cc(F)ccc2F)c(C)o1 ZINC000776494418 585699421 /nfs/dbraw/zinc/69/94/21/585699421.db2.gz NZOJICLGOZHKQF-UHFFFAOYSA-N 0 0 237.249 3.787 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)O[C@H]2CCc3ccccc32)C1 ZINC000776510410 585699576 /nfs/dbraw/zinc/69/95/76/585699576.db2.gz GHBIAXVKGSQDED-KYOSRNDESA-N 0 0 244.334 3.653 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)O[C@@H]2CCc3ccccc32)C1 ZINC000776510411 585699524 /nfs/dbraw/zinc/69/95/24/585699524.db2.gz GHBIAXVKGSQDED-OSAQELSMSA-N 0 0 244.334 3.653 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)O[C@@H]2CCc3ccccc32)C1 ZINC000776510412 585699376 /nfs/dbraw/zinc/69/93/76/585699376.db2.gz GHBIAXVKGSQDED-UXIGCNINSA-N 0 0 244.334 3.653 20 0 BHADRN C[C@@H]1CC[C@H](C(=O)O[C@H]2CCc3ccccc32)C1 ZINC000776510413 585699391 /nfs/dbraw/zinc/69/93/91/585699391.db2.gz GHBIAXVKGSQDED-ZLDLUXBVSA-N 0 0 244.334 3.653 20 0 BHADRN C[C@@H]1CC[C@@H](C(=O)Oc2cccc3[nH]ccc32)C1 ZINC000776526219 585700326 /nfs/dbraw/zinc/70/03/26/585700326.db2.gz JIIGPRMGQFKZAD-GHMZBOCLSA-N 0 0 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Cc1ccnc(N[C@H](C)c2ccnc(Cl)c2)c1 ZINC000776772633 585705296 /nfs/dbraw/zinc/70/52/96/585705296.db2.gz QHVOZAGRKTZZGS-SNVBAGLBSA-N 0 0 247.729 3.612 20 0 BHADRN CCc1noc(C)c1[C@@H](C)Nc1ccc(F)cc1 ZINC000776780172 585705367 /nfs/dbraw/zinc/70/53/67/585705367.db2.gz WUQJWRMABSLDSG-SECBINFHSA-N 0 0 248.301 3.858 20 0 BHADRN CCc1noc(C)c1[C@H](C)Nc1ccc(F)cc1 ZINC000776780173 585705538 /nfs/dbraw/zinc/70/55/38/585705538.db2.gz WUQJWRMABSLDSG-VIFPVBQESA-N 0 0 248.301 3.858 20 0 BHADRN CCc1noc(C)c1[C@@H](C)Nc1cccc(F)c1 ZINC000776780372 585705440 /nfs/dbraw/zinc/70/54/40/585705440.db2.gz GSJHJNDLCSPNMO-SECBINFHSA-N 0 0 248.301 3.858 20 0 BHADRN CCc1noc(C)c1[C@H](C)Nc1cccc(F)c1 ZINC000776780373 585705550 /nfs/dbraw/zinc/70/55/50/585705550.db2.gz GSJHJNDLCSPNMO-VIFPVBQESA-N 0 0 248.301 3.858 20 0 BHADRN Clc1ccc2c(c1)[C@H](Nc1ccccn1)CC2 ZINC000776790496 585705831 /nfs/dbraw/zinc/70/58/31/585705831.db2.gz CRKIWCOPXMYJDX-CYBMUJFWSA-N 0 0 244.725 3.834 20 0 BHADRN Clc1ccc2c(c1)[C@@H](Nc1ccccn1)CC2 ZINC000776790497 585705729 /nfs/dbraw/zinc/70/57/29/585705729.db2.gz CRKIWCOPXMYJDX-ZDUSSCGKSA-N 0 0 244.725 3.834 20 0 BHADRN CCCc1ccc(N[C@H](C)C2CCOCC2)cc1 ZINC000776803655 585705933 /nfs/dbraw/zinc/70/59/33/585705933.db2.gz QKARTKIOLWOFAV-CYBMUJFWSA-N 0 0 247.382 3.866 20 0 BHADRN CCCc1ccc(N[C@@H](C)C2CCOCC2)cc1 ZINC000776803656 585705897 /nfs/dbraw/zinc/70/58/97/585705897.db2.gz QKARTKIOLWOFAV-ZDUSSCGKSA-N 0 0 247.382 3.866 20 0 BHADRN CC(C)(C)CN(CCCCCO)c1ccccc1 ZINC000776813037 585705992 /nfs/dbraw/zinc/70/59/92/585705992.db2.gz RKYHTTZNAFCNBU-UHFFFAOYSA-N 0 0 249.398 3.702 20 0 BHADRN CC(C)CCn1ccnc1-c1ccnc(Cl)c1 ZINC000776831998 585705840 /nfs/dbraw/zinc/70/58/40/585705840.db2.gz SGFGMXZBKXNNJT-UHFFFAOYSA-N 0 0 249.745 3.645 20 0 BHADRN CCCCCn1ccnc1-c1ccnc(Cl)c1 ZINC000776832165 585706079 /nfs/dbraw/zinc/70/60/79/585706079.db2.gz DNMUOJBMVISXCX-UHFFFAOYSA-N 0 0 249.745 3.789 20 0 BHADRN CC[C@@H](Nc1cc(F)c(OC)c(F)c1)C(C)C ZINC000776858373 585706105 /nfs/dbraw/zinc/70/61/05/585706105.db2.gz IJPIAGDBWZQREN-GFCCVEGCSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@H](Nc1cc(F)c(OC)c(F)c1)C(C)C ZINC000776858374 585706344 /nfs/dbraw/zinc/70/63/44/585706344.db2.gz IJPIAGDBWZQREN-LBPRGKRZSA-N 0 0 243.297 3.820 20 0 BHADRN COc1c(F)cc(N[C@H](C)C(C)(C)C)cc1F ZINC000776859024 585706181 /nfs/dbraw/zinc/70/61/81/585706181.db2.gz OIPQDEPOVJVNAW-MRVPVSSYSA-N 0 0 243.297 3.820 20 0 BHADRN COc1c(F)cc(N[C@@H](C)C(C)(C)C)cc1F ZINC000776859025 585706191 /nfs/dbraw/zinc/70/61/91/585706191.db2.gz OIPQDEPOVJVNAW-QMMMGPOBSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1cc(F)c(OC)c(F)c1 ZINC000776859131 585706296 /nfs/dbraw/zinc/70/62/96/585706296.db2.gz QNBOTGHQIYUWTG-BDAKNGLRSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1cc(F)c(OC)c(F)c1 ZINC000776859133 585706212 /nfs/dbraw/zinc/70/62/12/585706212.db2.gz QNBOTGHQIYUWTG-DTWKUNHWSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1cc(F)c(OC)c(F)c1 ZINC000776859135 585706386 /nfs/dbraw/zinc/70/63/86/585706386.db2.gz QNBOTGHQIYUWTG-IUCAKERBSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1cc(F)c(OC)c(F)c1 ZINC000776859136 585706250 /nfs/dbraw/zinc/70/62/50/585706250.db2.gz QNBOTGHQIYUWTG-RKDXNWHRSA-N 0 0 243.297 3.820 20 0 BHADRN CC[C@@H](Nc1cc(F)c(OC)c(F)c1)C1CC1 ZINC000776859169 585706221 /nfs/dbraw/zinc/70/62/21/585706221.db2.gz RDJYQFABRZMYNB-GFCCVEGCSA-N 0 0 241.281 3.574 20 0 BHADRN CC[C@H](Nc1cc(F)c(OC)c(F)c1)C1CC1 ZINC000776859170 585706385 /nfs/dbraw/zinc/70/63/85/585706385.db2.gz RDJYQFABRZMYNB-LBPRGKRZSA-N 0 0 241.281 3.574 20 0 BHADRN CC[C@@H](C)Nc1cccc(N2CCCCC2)c1 ZINC000776868367 585706352 /nfs/dbraw/zinc/70/63/52/585706352.db2.gz FCTJFKHENFVHGZ-CYBMUJFWSA-N 0 0 232.371 3.887 20 0 BHADRN CC[C@H](C)Nc1cccc(N2CCCCC2)c1 ZINC000776868368 585706251 /nfs/dbraw/zinc/70/62/51/585706251.db2.gz FCTJFKHENFVHGZ-ZDUSSCGKSA-N 0 0 232.371 3.887 20 0 BHADRN C[C@@H](Nc1cccc(N2CCCCC2)c1)C1CC1 ZINC000776868373 585706110 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585706409 /nfs/dbraw/zinc/70/64/09/585706409.db2.gz RBAXOKYESNRPNU-CYBMUJFWSA-N 0 0 240.343 3.568 20 0 BHADRN FCc1ccc(CSC[C@@H]2CCCO2)cc1 ZINC000776895331 585706580 /nfs/dbraw/zinc/70/65/80/585706580.db2.gz RBAXOKYESNRPNU-ZDUSSCGKSA-N 0 0 240.343 3.568 20 0 BHADRN Cc1cccc(CSCCc2cccs2)n1 ZINC000776896529 585706782 /nfs/dbraw/zinc/70/67/82/585706782.db2.gz NVHZWIVRCOKACT-UHFFFAOYSA-N 0 0 249.404 3.927 20 0 BHADRN CC(C)c1cnc(CSCc2ccccn2)o1 ZINC000776896961 585706844 /nfs/dbraw/zinc/70/68/44/585706844.db2.gz NHMOCRVGZBGUOA-UHFFFAOYSA-N 0 0 248.351 3.626 20 0 BHADRN FCCCSCc1ccc(CF)cc1 ZINC000776896972 585706771 /nfs/dbraw/zinc/70/67/71/585706771.db2.gz BXDIGNJWJWIJFH-UHFFFAOYSA-N 0 0 216.296 3.749 20 0 BHADRN COCC[C@@H](C)SCc1ccc(CF)cc1 ZINC000776897017 585706675 /nfs/dbraw/zinc/70/66/75/585706675.db2.gz CSZCYYIGABLAAB-LLVKDONJSA-N 0 0 242.359 3.814 20 0 BHADRN COCC[C@H](C)SCc1ccc(CF)cc1 ZINC000776897018 585706645 /nfs/dbraw/zinc/70/66/45/585706645.db2.gz CSZCYYIGABLAAB-NSHDSACASA-N 0 0 242.359 3.814 20 0 BHADRN FCc1ccc(CSCC2CC2)cc1 ZINC000776897450 585706852 /nfs/dbraw/zinc/70/68/52/585706852.db2.gz IXUBBDNEGCQWEL-UHFFFAOYSA-N 0 0 210.317 3.799 20 0 BHADRN FCc1ccc(CSCc2ccccn2)cc1 ZINC000776897800 585706798 /nfs/dbraw/zinc/70/67/98/585706798.db2.gz XBGKRGJCIRIORK-UHFFFAOYSA-N 0 0 247.338 3.985 20 0 BHADRN Cc1ccc(CSCCc2cccs2)nc1 ZINC000776899026 585706813 /nfs/dbraw/zinc/70/68/13/585706813.db2.gz DVJHBMCCBNZCRT-UHFFFAOYSA-N 0 0 249.404 3.927 20 0 BHADRN CSCCSCc1ccc(CF)cc1 ZINC000776906414 585706672 /nfs/dbraw/zinc/70/66/72/585706672.db2.gz IRUXISWLAWCNSU-UHFFFAOYSA-N 0 0 230.373 3.752 20 0 BHADRN O=C(OCc1ccc(CF)cc1)c1ccccc1 ZINC000777043605 585707580 /nfs/dbraw/zinc/70/75/80/585707580.db2.gz ZZALUCYTOGNFSC-UHFFFAOYSA-N 0 0 244.265 3.513 20 0 BHADRN CCCCCC(=O)OCc1ccc(CF)cc1 ZINC000777044196 585707458 /nfs/dbraw/zinc/70/74/58/585707458.db2.gz GVHOGJQMWQSQKK-UHFFFAOYSA-N 0 0 238.302 3.780 20 0 BHADRN CC(C)(C)CC(=O)OCc1ccc(CF)cc1 ZINC000777045445 585707590 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BHADRN CCC(CC)C(=O)OCc1ccc(CF)cc1 ZINC000777067359 585708042 /nfs/dbraw/zinc/70/80/42/585708042.db2.gz SGQPTHNIAVAFCV-UHFFFAOYSA-N 0 0 238.302 3.636 20 0 BHADRN CN(Cc1ccncc1)c1ccc2ccccc2c1 ZINC000777070240 585708161 /nfs/dbraw/zinc/70/81/61/585708161.db2.gz DQVWFSYTMJCYSW-UHFFFAOYSA-N 0 0 248.329 3.871 20 0 BHADRN CCC(C)(C)C(=O)OCc1ccc(CF)cc1 ZINC000777076303 585708431 /nfs/dbraw/zinc/70/84/31/585708431.db2.gz BNBLQHGILKKHEM-UHFFFAOYSA-N 0 0 238.302 3.636 20 0 BHADRN CC(C)=C(C)C(=O)OCc1ccc(CF)cc1 ZINC000777108521 585708826 /nfs/dbraw/zinc/70/88/26/585708826.db2.gz STNGSWQBIJWWDQ-UHFFFAOYSA-N 0 0 236.286 3.556 20 0 BHADRN CC1=C(C(=O)OCc2ccc(CF)cc2)CCC1 ZINC000777126142 585708975 /nfs/dbraw/zinc/70/89/75/585708975.db2.gz RUYDROWQCBCTFE-UHFFFAOYSA-N 0 0 248.297 3.700 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(OCC(F)F)cc1 ZINC000777132588 585708907 /nfs/dbraw/zinc/70/89/07/585708907.db2.gz CMCUYANNTIUCNY-JTQLQIEISA-N 0 0 243.297 3.787 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(OCC(F)F)cc1 ZINC000777132597 585708966 /nfs/dbraw/zinc/70/89/66/585708966.db2.gz CMCUYANNTIUCNY-SNVBAGLBSA-N 0 0 243.297 3.787 20 0 BHADRN CCC(CC)Nc1ccc(OCC(F)F)cc1 ZINC000777134345 585708958 /nfs/dbraw/zinc/70/89/58/585708958.db2.gz ZIGZWMIFVAOUIY-UHFFFAOYSA-N 0 0 243.297 3.931 20 0 BHADRN CCC[C@H](C)Nc1ccc(OCC(F)F)cc1 ZINC000777134544 585709046 /nfs/dbraw/zinc/70/90/46/585709046.db2.gz UZXAANRFOUSEEF-JTQLQIEISA-N 0 0 243.297 3.931 20 0 BHADRN CCC[C@@H](C)Nc1ccc(OCC(F)F)cc1 ZINC000777134545 585709053 /nfs/dbraw/zinc/70/90/53/585709053.db2.gz UZXAANRFOUSEEF-SNVBAGLBSA-N 0 0 243.297 3.931 20 0 BHADRN CC[C@@H](C)c1ccc(COC(=O)C2CC2)cc1 ZINC000777140271 585709007 /nfs/dbraw/zinc/70/90/07/585709007.db2.gz VVIYPMAZCJDTSM-LLVKDONJSA-N 0 0 232.323 3.653 20 0 BHADRN CC[C@H](C)c1ccc(COC(=O)C2CC2)cc1 ZINC000777140272 585709001 /nfs/dbraw/zinc/70/90/01/585709001.db2.gz VVIYPMAZCJDTSM-NSHDSACASA-N 0 0 232.323 3.653 20 0 BHADRN CCC(=O)OCc1ccc([C@H](C)CC)cc1 ZINC000777142348 585709012 /nfs/dbraw/zinc/70/90/12/585709012.db2.gz 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ZINC000777266801 585710022 /nfs/dbraw/zinc/71/00/22/585710022.db2.gz VLUGWORSBSBEAN-JTQLQIEISA-N 0 0 249.745 3.736 20 0 BHADRN CC[C@@H](C)Nc1cnn(-c2ccccc2Cl)c1 ZINC000777266855 585709948 /nfs/dbraw/zinc/70/99/48/585709948.db2.gz VLUGWORSBSBEAN-SNVBAGLBSA-N 0 0 249.745 3.736 20 0 BHADRN CCCCC[C@@H](C)Nc1cnc2c(c1)COCC2 ZINC000777314663 585710223 /nfs/dbraw/zinc/71/02/23/585710223.db2.gz AMTLYOQBDLCDIJ-GFCCVEGCSA-N 0 0 248.370 3.535 20 0 BHADRN CCCCC[C@H](C)Nc1cnc2c(c1)COCC2 ZINC000777314664 585710242 /nfs/dbraw/zinc/71/02/42/585710242.db2.gz AMTLYOQBDLCDIJ-LBPRGKRZSA-N 0 0 248.370 3.535 20 0 BHADRN CCCC[C@@H](CC)C(=O)OCCc1ccoc1 ZINC000777380384 585710897 /nfs/dbraw/zinc/71/08/97/585710897.db2.gz RCSOEACRFWLJEW-CYBMUJFWSA-N 0 0 238.327 3.582 20 0 BHADRN CCCC[C@H](CC)C(=O)OCCc1ccoc1 ZINC000777380385 585710880 /nfs/dbraw/zinc/71/08/80/585710880.db2.gz RCSOEACRFWLJEW-ZDUSSCGKSA-N 0 0 238.327 3.582 20 0 BHADRN CC(C)(C)CCCC(=O)OCCc1ccoc1 ZINC000777383606 585711001 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BHADRN O=C(C[C@H]1C=CCCC1)OCc1ccccc1F ZINC000777403225 585711654 /nfs/dbraw/zinc/71/16/54/585711654.db2.gz ZGKQJYQOYKKRCW-LBPRGKRZSA-N 0 0 248.297 3.615 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)OCc1ccc(F)cc1 ZINC000777407174 585711574 /nfs/dbraw/zinc/71/15/74/585711574.db2.gz BZUVXYNULYDTLG-GFCCVEGCSA-N 0 0 248.297 3.615 20 0 BHADRN O=C(C[C@H]1C=CCCC1)OCc1ccc(F)cc1 ZINC000777407175 585711470 /nfs/dbraw/zinc/71/14/70/585711470.db2.gz BZUVXYNULYDTLG-LBPRGKRZSA-N 0 0 248.297 3.615 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@H]1C=CCCC1 ZINC000777407794 585711493 /nfs/dbraw/zinc/71/14/93/585711493.db2.gz KAVVASUSZULNJC-KBPBESRZSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C[C@H]1C=CCCC1 ZINC000777407795 585711660 /nfs/dbraw/zinc/71/16/60/585711660.db2.gz KAVVASUSZULNJC-KGLIPLIRSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@@H]1C=CCCC1 ZINC000777407796 585711613 /nfs/dbraw/zinc/71/16/13/585711613.db2.gz KAVVASUSZULNJC-UONOGXRCSA-N 0 0 237.387 3.818 20 0 BHADRN 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/nfs/dbraw/zinc/71/37/93/585713793.db2.gz DEFUGFVOVBOZOS-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN CCCc1ccc(CNc2ccc(F)nc2)cc1 ZINC000777513142 585714088 /nfs/dbraw/zinc/71/40/88/585714088.db2.gz YXJOEOFDOFFGMC-UHFFFAOYSA-N 0 0 244.313 3.785 20 0 BHADRN Cc1cc(CNc2cc(C(C)C)on2)c(C)o1 ZINC000777518769 585714110 /nfs/dbraw/zinc/71/41/10/585714110.db2.gz BGJGRIOZVIWXFF-UHFFFAOYSA-N 0 0 234.299 3.620 20 0 BHADRN FCc1ccc(CSc2ccccn2)cc1 ZINC000777529733 585714055 /nfs/dbraw/zinc/71/40/55/585714055.db2.gz ADTAJVLDVSSELK-UHFFFAOYSA-N 0 0 233.311 3.843 20 0 BHADRN FCc1ccc(COc2ccc(F)cc2)cc1 ZINC000777532196 585714359 /nfs/dbraw/zinc/71/43/59/585714359.db2.gz ORLUHDITCNRMMU-UHFFFAOYSA-N 0 0 234.245 3.874 20 0 BHADRN COc1ccccc1OCc1ccc(CF)cc1 ZINC000777532453 585714298 /nfs/dbraw/zinc/71/42/98/585714298.db2.gz TXQOUYOMQMUNJO-UHFFFAOYSA-N 0 0 246.281 3.744 20 0 BHADRN O=Cc1ccc(OCc2ccc(CF)cc2)cc1 ZINC000777532491 585714421 /nfs/dbraw/zinc/71/44/21/585714421.db2.gz UPIOZWXTVFPTMU-UHFFFAOYSA-N 0 0 244.265 3.548 20 0 BHADRN O=Cc1ccccc1OCc1ccc(CF)cc1 ZINC000777533088 585714410 /nfs/dbraw/zinc/71/44/10/585714410.db2.gz VXUBCEJGPOKNJC-UHFFFAOYSA-N 0 0 244.265 3.548 20 0 BHADRN FCc1ccc(COc2ccccc2F)cc1 ZINC000777533186 585714378 /nfs/dbraw/zinc/71/43/78/585714378.db2.gz ZSTWPBWPLRBLJA-UHFFFAOYSA-N 0 0 234.245 3.874 20 0 BHADRN FCc1ccc(CSc2ccncc2)cc1 ZINC000777534312 585714361 /nfs/dbraw/zinc/71/43/61/585714361.db2.gz CKBVVLQXKODFOB-UHFFFAOYSA-N 0 0 233.311 3.843 20 0 BHADRN N#CN(Cc1ccc(CF)cc1)c1ccccc1 ZINC000777535134 585714213 /nfs/dbraw/zinc/71/42/13/585714213.db2.gz NZCOROPHRUGLFH-UHFFFAOYSA-N 0 0 240.281 3.644 20 0 BHADRN Cc1cnc(SCc2ccc(CF)cc2)nc1 ZINC000777535841 585714296 /nfs/dbraw/zinc/71/42/96/585714296.db2.gz UTCWHZIEGUMGBZ-UHFFFAOYSA-N 0 0 248.326 3.547 20 0 BHADRN FCc1ccc(COc2cccc(F)c2)cc1 ZINC000777538120 585714294 /nfs/dbraw/zinc/71/42/94/585714294.db2.gz FSKINCWDUJKNHF-UHFFFAOYSA-N 0 0 234.245 3.874 20 0 BHADRN FCc1ccc(CSC2CCOCC2)cc1 ZINC000777538121 585714367 /nfs/dbraw/zinc/71/43/67/585714367.db2.gz FSZGHKWNLDJUFS-UHFFFAOYSA-N 0 0 240.343 3.568 20 0 BHADRN FCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000777538316 585714432 /nfs/dbraw/zinc/71/44/32/585714432.db2.gz JZRIAROUMCHKSA-UHFFFAOYSA-N 0 0 240.281 3.554 20 0 BHADRN O=Cc1cccc(OCc2ccc(CF)cc2)c1 ZINC000777538333 585714207 /nfs/dbraw/zinc/71/42/07/585714207.db2.gz KGZNCIJBUVACLS-UHFFFAOYSA-N 0 0 244.265 3.548 20 0 BHADRN FCc1ccc(CNc2cccc(F)c2)cc1 ZINC000777538387 585714226 /nfs/dbraw/zinc/71/42/26/585714226.db2.gz AVXIKGTYVHFSOH-UHFFFAOYSA-N 0 0 233.261 3.907 20 0 BHADRN COc1ccccc1NCc1ccc(CF)cc1 ZINC000777538509 585714308 /nfs/dbraw/zinc/71/43/08/585714308.db2.gz DBUDNFCLRFTLAX-UHFFFAOYSA-N 0 0 245.297 3.777 20 0 BHADRN Cc1ccc(OCc2ccccc2C)c(Cl)n1 ZINC000777539304 583137062 /nfs/dbraw/zinc/13/70/62/583137062.db2.gz ABNKGCPQJHPJIY-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN COc1cccc(OCc2ccc(CF)cc2)c1 ZINC000777539559 585714468 /nfs/dbraw/zinc/71/44/68/585714468.db2.gz UUAHKRBJAKGDLW-UHFFFAOYSA-N 0 0 246.281 3.744 20 0 BHADRN C[C@@H]1OCC[C@@H]1SCc1ccc(CF)cc1 ZINC000777539972 585714463 /nfs/dbraw/zinc/71/44/63/585714463.db2.gz VOQGYKCLVGJGCJ-GWCFXTLKSA-N 0 0 240.343 3.567 20 0 BHADRN C[C@@H]1OCC[C@H]1SCc1ccc(CF)cc1 ZINC000777539973 585714453 /nfs/dbraw/zinc/71/44/53/585714453.db2.gz VOQGYKCLVGJGCJ-GXFFZTMASA-N 0 0 240.343 3.567 20 0 BHADRN C[C@H]1OCC[C@@H]1SCc1ccc(CF)cc1 ZINC000777539974 585714475 /nfs/dbraw/zinc/71/44/75/585714475.db2.gz VOQGYKCLVGJGCJ-MFKMUULPSA-N 0 0 240.343 3.567 20 0 BHADRN C[C@H]1OCC[C@H]1SCc1ccc(CF)cc1 ZINC000777539975 585714459 /nfs/dbraw/zinc/71/44/59/585714459.db2.gz VOQGYKCLVGJGCJ-ZWNOBZJWSA-N 0 0 240.343 3.567 20 0 BHADRN COc1ccc(OCc2ccc(CF)cc2)cc1 ZINC000777540165 585714674 /nfs/dbraw/zinc/71/46/74/585714674.db2.gz XMNUKRGGLULLEW-UHFFFAOYSA-N 0 0 246.281 3.744 20 0 BHADRN Cc1ccc(OCC2CCCC2)c(Cl)n1 ZINC000777541115 585714457 /nfs/dbraw/zinc/71/44/57/585714457.db2.gz LDBTXYWSHIGZFE-UHFFFAOYSA-N 0 0 225.719 3.612 20 0 BHADRN FCc1ccc(CNc2ccccc2F)cc1 ZINC000777541282 585714588 /nfs/dbraw/zinc/71/45/88/585714588.db2.gz VPQWDRPTVQSFNW-UHFFFAOYSA-N 0 0 233.261 3.907 20 0 BHADRN FCc1ccc(CNc2ccc(F)cc2)cc1 ZINC000777541524 585714471 /nfs/dbraw/zinc/71/44/71/585714471.db2.gz XBTAXEGJISOYAV-UHFFFAOYSA-N 0 0 233.261 3.907 20 0 BHADRN COc1ccc(NCc2ccc(CF)cc2)cc1 ZINC000777541689 585714599 /nfs/dbraw/zinc/71/45/99/585714599.db2.gz ZLGGYKOCPMWBER-UHFFFAOYSA-N 0 0 245.297 3.777 20 0 BHADRN CN(Cc1ccc(CF)cc1)c1ccccc1 ZINC000777542045 585714497 /nfs/dbraw/zinc/71/44/97/585714497.db2.gz GFWFLTNCQZSKIX-UHFFFAOYSA-N 0 0 229.298 3.793 20 0 BHADRN Cc1ccc(OCc2ccccc2)c(Cl)n1 ZINC000777543915 585714809 /nfs/dbraw/zinc/71/48/09/585714809.db2.gz ACORCIJJKPDHFG-UHFFFAOYSA-N 0 0 233.698 3.622 20 0 BHADRN CCCCCOc1ccc(C)nc1Cl ZINC000777544140 585714838 /nfs/dbraw/zinc/71/48/38/585714838.db2.gz KZYAWIVPGBVKPD-UHFFFAOYSA-N 0 0 213.708 3.612 20 0 BHADRN CC/C=C\CCOc1ccc(C)nc1Cl ZINC000777544651 585714794 /nfs/dbraw/zinc/71/47/94/585714794.db2.gz MDVHAFJHIQOPCF-PLNGDYQASA-N 0 0 225.719 3.779 20 0 BHADRN CC/C=C/CCOc1ccc(C)nc1Cl ZINC000777544653 585714765 /nfs/dbraw/zinc/71/47/65/585714765.db2.gz MDVHAFJHIQOPCF-SNAWJCMRSA-N 0 0 225.719 3.779 20 0 BHADRN FCc1ccc(CN2CCc3ccccc32)cc1 ZINC000777544895 585715002 /nfs/dbraw/zinc/71/50/02/585715002.db2.gz VPAYDEDYYFZVDC-UHFFFAOYSA-N 0 0 241.309 3.719 20 0 BHADRN Cc1cccc(COc2ccc(C)nc2Cl)c1 ZINC000777545630 585714728 /nfs/dbraw/zinc/71/47/28/585714728.db2.gz YWTSYAURYIMVJV-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN Cc1ccc(O[C@H]2C=CCCC2)c(Cl)n1 ZINC000777548370 585714933 /nfs/dbraw/zinc/71/49/33/585714933.db2.gz QCRIDUREHHVCEI-JTQLQIEISA-N 0 0 223.703 3.531 20 0 BHADRN Cc1ccc(O[C@@H]2C=CCCC2)c(Cl)n1 ZINC000777548371 585714971 /nfs/dbraw/zinc/71/49/71/585714971.db2.gz QCRIDUREHHVCEI-SNVBAGLBSA-N 0 0 223.703 3.531 20 0 BHADRN Cc1ccc(COc2ccc(C)nc2Cl)cc1 ZINC000777548385 585714930 /nfs/dbraw/zinc/71/49/30/585714930.db2.gz QOUZCTVSLJBNAV-UHFFFAOYSA-N 0 0 247.725 3.931 20 0 BHADRN CCCCC[S@](=O)Cc1ccc(CF)cc1 ZINC000777552643 585714767 /nfs/dbraw/zinc/71/47/67/585714767.db2.gz XYALHJNOFJPDCX-INIZCTEOSA-N 0 0 242.359 3.595 20 0 BHADRN CCCCC[S@@](=O)Cc1ccc(CF)cc1 ZINC000777552647 585714716 /nfs/dbraw/zinc/71/47/16/585714716.db2.gz XYALHJNOFJPDCX-MRXNPFEDSA-N 0 0 242.359 3.595 20 0 BHADRN CCC(CC)[S@@](=O)Cc1ccc(CF)cc1 ZINC000777553024 585714797 /nfs/dbraw/zinc/71/47/97/585714797.db2.gz ZIQBMIDGUOHCHK-INIZCTEOSA-N 0 0 242.359 3.593 20 0 BHADRN CCC(CC)[S@](=O)Cc1ccc(CF)cc1 ZINC000777553026 585714854 /nfs/dbraw/zinc/71/48/54/585714854.db2.gz ZIQBMIDGUOHCHK-MRXNPFEDSA-N 0 0 242.359 3.593 20 0 BHADRN Cc1ccc(OCCc2ccccc2)c(Cl)n1 ZINC000777553832 585714910 /nfs/dbraw/zinc/71/49/10/585714910.db2.gz UOCOFQZNRBRZJH-UHFFFAOYSA-N 0 0 247.725 3.665 20 0 BHADRN CC(C)[C@@H](C)Nc1ccnn1C1CCCCC1 ZINC000777554168 585714833 /nfs/dbraw/zinc/71/48/33/585714833.db2.gz CADJRGWGHGEXMM-GFCCVEGCSA-N 0 0 235.375 3.845 20 0 BHADRN CC(C)[C@H](C)Nc1ccnn1C1CCCCC1 ZINC000777554171 585714906 /nfs/dbraw/zinc/71/49/06/585714906.db2.gz CADJRGWGHGEXMM-LBPRGKRZSA-N 0 0 235.375 3.845 20 0 BHADRN C[C@@H](Nc1ccnn1C1CCCCC1)C1CCC1 ZINC000777555301 585715327 /nfs/dbraw/zinc/71/53/27/585715327.db2.gz OFKCYJYXXZMANY-GFCCVEGCSA-N 0 0 247.386 3.989 20 0 BHADRN C[C@H](Nc1ccnn1C1CCCCC1)C1CCC1 ZINC000777555303 585715148 /nfs/dbraw/zinc/71/51/48/585715148.db2.gz OFKCYJYXXZMANY-LBPRGKRZSA-N 0 0 247.386 3.989 20 0 BHADRN C[C@H](c1ccco1)[N@H+](C)Cc1ccc(CF)cc1 ZINC000777563575 585715064 /nfs/dbraw/zinc/71/50/64/585715064.db2.gz LTJGPXNDRSXZPH-GFCCVEGCSA-N 0 0 247.313 3.942 20 0 BHADRN C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(CF)cc1 ZINC000777563576 585715091 /nfs/dbraw/zinc/71/50/91/585715091.db2.gz LTJGPXNDRSXZPH-LBPRGKRZSA-N 0 0 247.313 3.942 20 0 BHADRN CCCN(Cc1ccc(CF)cc1)CC(F)F ZINC000777572682 585715662 /nfs/dbraw/zinc/71/56/62/585715662.db2.gz METWVHSGYYVKHG-UHFFFAOYSA-N 0 0 245.288 3.633 20 0 BHADRN FCc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000777579603 585715511 /nfs/dbraw/zinc/71/55/11/585715511.db2.gz BECRPGQASDTELE-UHFFFAOYSA-N 0 0 241.309 3.672 20 0 BHADRN CCCCCCSc1nnc(C)n1C(C)C ZINC000777579992 585716164 /nfs/dbraw/zinc/71/61/64/585716164.db2.gz ITKQDWAKYGXXTJ-UHFFFAOYSA-N 0 0 241.404 3.840 20 0 BHADRN CCN(Cc1ccc(CF)cc1)CC(F)(F)F ZINC000777581238 585715940 /nfs/dbraw/zinc/71/59/40/585715940.db2.gz CQCYXTVVSUGQED-UHFFFAOYSA-N 0 0 249.251 3.540 20 0 BHADRN C[C@@H](Nc1ccn(-c2ccccc2)n1)C(C)(C)C ZINC000777592789 585716496 /nfs/dbraw/zinc/71/64/96/585716496.db2.gz HFSIOPXSILKSCX-GFCCVEGCSA-N 0 0 243.354 3.719 20 0 BHADRN C[C@H](Nc1ccn(-c2ccccc2)n1)C(C)(C)C ZINC000777592790 585716229 /nfs/dbraw/zinc/71/62/29/585716229.db2.gz HFSIOPXSILKSCX-LBPRGKRZSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccn(-c2ccccc2)n1 ZINC000777593138 585716224 /nfs/dbraw/zinc/71/62/24/585716224.db2.gz JWIIRSXPJGFGIP-CHWSQXEVSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccn(-c2ccccc2)n1 ZINC000777593140 585716373 /nfs/dbraw/zinc/71/63/73/585716373.db2.gz JWIIRSXPJGFGIP-OLZOCXBDSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccn(-c2ccccc2)n1 ZINC000777593141 585716456 /nfs/dbraw/zinc/71/64/56/585716456.db2.gz JWIIRSXPJGFGIP-QWHCGFSZSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccn(-c2ccccc2)n1 ZINC000777593143 585716265 /nfs/dbraw/zinc/71/62/65/585716265.db2.gz JWIIRSXPJGFGIP-STQMWFEESA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@H](Nc1ccn(-c2ccccc2)n1)C(C)C ZINC000777594179 585716236 /nfs/dbraw/zinc/71/62/36/585716236.db2.gz QTCULNBTGCVCKR-AWEZNQCLSA-N 0 0 243.354 3.719 20 0 BHADRN CC[C@@H](Nc1ccn(-c2ccccc2)n1)C(C)C ZINC000777594181 585716515 /nfs/dbraw/zinc/71/65/15/585716515.db2.gz QTCULNBTGCVCKR-CQSZACIVSA-N 0 0 243.354 3.719 20 0 BHADRN CC(C)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000777618896 585717164 /nfs/dbraw/zinc/71/71/64/585717164.db2.gz FUCKCGKGCCLRJH-UHFFFAOYSA-N 0 0 247.338 3.939 20 0 BHADRN Cc1cc(N[C@H](C)c2ccco2)ccc1N(C)C ZINC000777641749 585717852 /nfs/dbraw/zinc/71/78/52/585717852.db2.gz SYCZHZALVXDWRJ-GFCCVEGCSA-N 0 0 244.338 3.827 20 0 BHADRN Cc1cc(N[C@@H](C)c2ccco2)ccc1N(C)C ZINC000777641750 585717751 /nfs/dbraw/zinc/71/77/51/585717751.db2.gz SYCZHZALVXDWRJ-LBPRGKRZSA-N 0 0 244.338 3.827 20 0 BHADRN Cc1cc(N[C@H](C)C(C)(C)C)ccc1N(C)C ZINC000777642744 585717901 /nfs/dbraw/zinc/71/79/01/585717901.db2.gz DBGQQEGTHOMSIQ-GFCCVEGCSA-N 0 0 234.387 3.908 20 0 BHADRN Cc1cc(N[C@@H](C)C(C)(C)C)ccc1N(C)C ZINC000777642748 585717887 /nfs/dbraw/zinc/71/78/87/585717887.db2.gz DBGQQEGTHOMSIQ-LBPRGKRZSA-N 0 0 234.387 3.908 20 0 BHADRN Cc1cc(N[C@H](C)C2CCC2)ccc1N(C)C ZINC000777643427 585717667 /nfs/dbraw/zinc/71/76/67/585717667.db2.gz OCNQKGCTEFGXPB-GFCCVEGCSA-N 0 0 232.371 3.662 20 0 BHADRN Cc1cc(N[C@@H](C)C2CCC2)ccc1N(C)C ZINC000777643428 585717805 /nfs/dbraw/zinc/71/78/05/585717805.db2.gz OCNQKGCTEFGXPB-LBPRGKRZSA-N 0 0 232.371 3.662 20 0 BHADRN CC[C@H](Nc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000777643461 585717815 /nfs/dbraw/zinc/71/78/15/585717815.db2.gz OYIYSWCVHGQGPS-AWEZNQCLSA-N 0 0 232.371 3.662 20 0 BHADRN CC[C@@H](Nc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000777643462 585717785 /nfs/dbraw/zinc/71/77/85/585717785.db2.gz OYIYSWCVHGQGPS-CQSZACIVSA-N 0 0 232.371 3.662 20 0 BHADRN Cc1cc(NC(C2CC2)C2CC2)ccc1N(C)C ZINC000777643671 585717893 /nfs/dbraw/zinc/71/78/93/585717893.db2.gz UVNUGSVJBRMWOB-UHFFFAOYSA-N 0 0 244.382 3.662 20 0 BHADRN COc1ccc(N[C@H](C)C(C)C)c2cccnc12 ZINC000777647028 585717676 /nfs/dbraw/zinc/71/76/76/585717676.db2.gz UCTMJPNRNUUCSN-LLVKDONJSA-N 0 0 244.338 3.700 20 0 BHADRN COc1ccc(N[C@@H](C)C(C)C)c2cccnc12 ZINC000777647029 585717869 /nfs/dbraw/zinc/71/78/69/585717869.db2.gz UCTMJPNRNUUCSN-NSHDSACASA-N 0 0 244.338 3.700 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000777653776 585718029 /nfs/dbraw/zinc/71/80/29/585718029.db2.gz SEVYQEAKGQLJMV-GFCCVEGCSA-N 0 0 244.382 3.670 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000777653777 585717987 /nfs/dbraw/zinc/71/79/87/585717987.db2.gz SEVYQEAKGQLJMV-LBPRGKRZSA-N 0 0 244.382 3.670 20 0 BHADRN CC[C@H](Nc1ccc2c(c1)CCCN2C)C1CC1 ZINC000777655153 585718138 /nfs/dbraw/zinc/71/81/38/585718138.db2.gz HBXXZBCZNGAENL-HNNXBMFYSA-N 0 0 244.382 3.670 20 0 BHADRN CC[C@@H](Nc1ccc2c(c1)CCCN2C)C1CC1 ZINC000777655154 585718124 /nfs/dbraw/zinc/71/81/24/585718124.db2.gz HBXXZBCZNGAENL-OAHLLOKOSA-N 0 0 244.382 3.670 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc2c(c1)CCCN2C ZINC000777657523 585718297 /nfs/dbraw/zinc/71/82/97/585718297.db2.gz RMLMTFYFOFNZPB-GFCCVEGCSA-N 0 0 232.371 3.525 20 0 BHADRN CC(C)[C@H](C)Nc1ccc2c(c1)CCCN2C ZINC000777657526 585718342 /nfs/dbraw/zinc/71/83/42/585718342.db2.gz RMLMTFYFOFNZPB-LBPRGKRZSA-N 0 0 232.371 3.525 20 0 BHADRN Cc1cc(N[C@H](C)C2CC2)ccc1OC(C)C ZINC000777697200 585718716 /nfs/dbraw/zinc/71/87/16/585718716.db2.gz RYFTZKWOQZXMJU-GFCCVEGCSA-N 0 0 233.355 3.993 20 0 BHADRN Cc1cc(N[C@@H](C)C2CC2)ccc1OC(C)C ZINC000777697201 585718471 /nfs/dbraw/zinc/71/84/71/585718471.db2.gz RYFTZKWOQZXMJU-LBPRGKRZSA-N 0 0 233.355 3.993 20 0 BHADRN C[C@H](Nc1ccc(OC2CCC2)c(F)c1)C1CC1 ZINC000777700524 585718588 /nfs/dbraw/zinc/71/85/88/585718588.db2.gz MUXJKGFYKKAQME-JTQLQIEISA-N 0 0 249.329 3.967 20 0 BHADRN C[C@@H](Nc1ccc(OC2CCC2)c(F)c1)C1CC1 ZINC000777700525 585718617 /nfs/dbraw/zinc/71/86/17/585718617.db2.gz MUXJKGFYKKAQME-SNVBAGLBSA-N 0 0 249.329 3.967 20 0 BHADRN C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000777702339 585718551 /nfs/dbraw/zinc/71/85/51/585718551.db2.gz RWVIKIMWMDLMTA-JTQLQIEISA-N 0 0 231.339 3.611 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000777702342 585718478 /nfs/dbraw/zinc/71/84/78/585718478.db2.gz RWVIKIMWMDLMTA-SNVBAGLBSA-N 0 0 231.339 3.611 20 0 BHADRN Cc1cc(OC(=O)C[C@@H]2C=CCCC2)ccc1F ZINC000777742346 585719315 /nfs/dbraw/zinc/71/93/15/585719315.db2.gz KXWDNQWBMBBFCB-GFCCVEGCSA-N 0 0 248.297 3.786 20 0 BHADRN Cc1cc(OC(=O)C[C@H]2C=CCCC2)ccc1F ZINC000777742347 585719183 /nfs/dbraw/zinc/71/91/83/585719183.db2.gz KXWDNQWBMBBFCB-LBPRGKRZSA-N 0 0 248.297 3.786 20 0 BHADRN Cc1cc(F)ccc1OC(=O)C[C@@H]1C=CCCC1 ZINC000777752873 585719628 /nfs/dbraw/zinc/71/96/28/585719628.db2.gz DIDZGPXSBRSKLD-GFCCVEGCSA-N 0 0 248.297 3.786 20 0 BHADRN Cc1cc(F)ccc1OC(=O)C[C@H]1C=CCCC1 ZINC000777752874 585719641 /nfs/dbraw/zinc/71/96/41/585719641.db2.gz DIDZGPXSBRSKLD-LBPRGKRZSA-N 0 0 248.297 3.786 20 0 BHADRN Cc1cccc(OC(=O)C[C@@H]2C=CCCC2)c1F ZINC000777777455 585720085 /nfs/dbraw/zinc/72/00/85/585720085.db2.gz ZLVBSCJJIWYROU-GFCCVEGCSA-N 0 0 248.297 3.786 20 0 BHADRN Cc1cccc(OC(=O)C[C@H]2C=CCCC2)c1F ZINC000777777456 585720101 /nfs/dbraw/zinc/72/01/01/585720101.db2.gz ZLVBSCJJIWYROU-LBPRGKRZSA-N 0 0 248.297 3.786 20 0 BHADRN c1cc(CSC2CCCC2)cc2c1COC2 ZINC000777888635 585722353 /nfs/dbraw/zinc/72/23/53/585722353.db2.gz BDXAIGCUEMIQJV-UHFFFAOYSA-N 0 0 234.364 3.893 20 0 BHADRN c1coc(CSCc2ccc3c(c2)COC3)c1 ZINC000777889399 585722452 /nfs/dbraw/zinc/72/24/52/585722452.db2.gz VIRQBAFDGXOGQT-UHFFFAOYSA-N 0 0 246.331 3.743 20 0 BHADRN CC(C)CSCc1ccc2c(c1)COC2 ZINC000777890376 585722328 /nfs/dbraw/zinc/72/23/28/585722328.db2.gz QOUNVOVHUKNGDT-UHFFFAOYSA-N 0 0 222.353 3.606 20 0 BHADRN Cc1ccccc1C[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000777910387 585723657 /nfs/dbraw/zinc/72/36/57/585723657.db2.gz IGUASJKBZSGLEI-AWEZNQCLSA-N 0 0 243.350 3.651 20 0 BHADRN Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000777910388 585723775 /nfs/dbraw/zinc/72/37/75/585723775.db2.gz IGUASJKBZSGLEI-CQSZACIVSA-N 0 0 243.350 3.651 20 0 BHADRN CC[C@@H](C)CSCc1ccc2c(c1)COC2 ZINC000777932236 585723979 /nfs/dbraw/zinc/72/39/79/585723979.db2.gz DVGRCDOOLVCZEN-LLVKDONJSA-N 0 0 236.380 3.996 20 0 BHADRN CC[C@H](C)CSCc1ccc2c(c1)COC2 ZINC000777932238 585723871 /nfs/dbraw/zinc/72/38/71/585723871.db2.gz DVGRCDOOLVCZEN-NSHDSACASA-N 0 0 236.380 3.996 20 0 BHADRN CC(C)[C@@H](C)SCc1ccc2c(c1)COC2 ZINC000777934382 585724215 /nfs/dbraw/zinc/72/42/15/585724215.db2.gz YBHIXTDDJRHUTG-LLVKDONJSA-N 0 0 236.380 3.995 20 0 BHADRN CC(C)[C@H](C)SCc1ccc2c(c1)COC2 ZINC000777934383 585724105 /nfs/dbraw/zinc/72/41/05/585724105.db2.gz YBHIXTDDJRHUTG-NSHDSACASA-N 0 0 236.380 3.995 20 0 BHADRN CC(C)(C)CCCC(=O)NOC1CCCCC1 ZINC000777948704 585724260 /nfs/dbraw/zinc/72/42/60/585724260.db2.gz FJLYABDPDXBELR-UHFFFAOYSA-N 0 0 241.375 3.583 20 0 BHADRN C[C@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000777948982 585724120 /nfs/dbraw/zinc/72/41/20/585724120.db2.gz DWKCJYHPUYITAL-HZMBPMFUSA-N 0 0 235.758 3.669 20 0 BHADRN CC(C)(C)OC(=O)Oc1ccc2ccncc2c1 ZINC000777955626 585724199 /nfs/dbraw/zinc/72/41/99/585724199.db2.gz VJZYIINAECUSCE-UHFFFAOYSA-N 0 0 245.278 3.549 20 0 BHADRN CN(CC(F)F)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777981856 585724934 /nfs/dbraw/zinc/72/49/34/585724934.db2.gz LBXDYLDQYVYLJP-LLVKDONJSA-N 0 0 245.700 3.524 20 0 BHADRN CN(CC(F)F)[C@H]1CCc2cc(Cl)ccc21 ZINC000777981862 585724946 /nfs/dbraw/zinc/72/49/46/585724946.db2.gz LBXDYLDQYVYLJP-NSHDSACASA-N 0 0 245.700 3.524 20 0 BHADRN Cc1ccc(OCc2ccc3c(c2)COC3)cc1 ZINC000778018732 585725333 /nfs/dbraw/zinc/72/53/33/585725333.db2.gz AVVUVYXXBPENLJ-UHFFFAOYSA-N 0 0 240.302 3.604 20 0 BHADRN Cc1ccccc1OCc1ccc2c(c1)COC2 ZINC000778020443 585725352 /nfs/dbraw/zinc/72/53/52/585725352.db2.gz RFVAIPQDAIBLJJ-UHFFFAOYSA-N 0 0 240.302 3.604 20 0 BHADRN Cc1cccc(OCc2ccc3c(c2)COC3)c1 ZINC000778021734 585725356 /nfs/dbraw/zinc/72/53/56/585725356.db2.gz ZWPRZYHHSSIAFZ-UHFFFAOYSA-N 0 0 240.302 3.604 20 0 BHADRN CCCCSCc1ccc2c(c1)COC2 ZINC000778040362 585725267 /nfs/dbraw/zinc/72/52/67/585725267.db2.gz JVDWZMITPCRXKJ-UHFFFAOYSA-N 0 0 222.353 3.750 20 0 BHADRN c1cc(CSCC2CCC2)cc2c1COC2 ZINC000778045239 585725182 /nfs/dbraw/zinc/72/51/82/585725182.db2.gz AXCIXZXQYHFHBK-UHFFFAOYSA-N 0 0 234.364 3.750 20 0 BHADRN C/C=C/C=C\C(=O)Nc1ccc(C)c(CC)c1 ZINC000778045714 585725245 /nfs/dbraw/zinc/72/52/45/585725245.db2.gz UACAIERILXRYRA-AQXDOAQYSA-N 0 0 229.323 3.628 20 0 BHADRN C/C=C/C=C/C(=O)Nc1ccc(C)c(CC)c1 ZINC000778045715 585725193 /nfs/dbraw/zinc/72/51/93/585725193.db2.gz UACAIERILXRYRA-GFGVWQOPSA-N 0 0 229.323 3.628 20 0 BHADRN C/C=C\CSCc1ccc2c(c1)COC2 ZINC000778045735 585725316 /nfs/dbraw/zinc/72/53/16/585725316.db2.gz 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/nfs/dbraw/zinc/73/76/03/585737603.db2.gz ZWYSPNULSXXILS-GXDHUFHOSA-N 0 0 245.366 3.513 20 0 BHADRN C/C(=C/c1ccc(C)cc1)C(=O)N(C)CC(C)C ZINC000778587917 585737722 /nfs/dbraw/zinc/73/77/22/585737722.db2.gz ZWYSPNULSXXILS-UVTDQMKNSA-N 0 0 245.366 3.513 20 0 BHADRN Clc1nc(N2CC=CCC2)cc2ccccc21 ZINC000778591542 585737748 /nfs/dbraw/zinc/73/77/48/585737748.db2.gz HRDDWPAEVGMFTQ-UHFFFAOYSA-N 0 0 244.725 3.655 20 0 BHADRN CC(C)Nc1cc(F)ccc1NCC1CCC1 ZINC000778614940 585737670 /nfs/dbraw/zinc/73/76/70/585737670.db2.gz BNPYIFCRKHGTCF-UHFFFAOYSA-N 0 0 236.334 3.858 20 0 BHADRN CC(C)Nc1cccc(F)c1NCC1CCC1 ZINC000778616423 585738178 /nfs/dbraw/zinc/73/81/78/585738178.db2.gz CLQSHUSXMGVEQQ-UHFFFAOYSA-N 0 0 236.334 3.858 20 0 BHADRN OCCCCCCNc1csc2ccccc12 ZINC000778617057 585738141 /nfs/dbraw/zinc/73/81/41/585738141.db2.gz MFZVGNOBZXQJFQ-UHFFFAOYSA-N 0 0 249.379 3.866 20 0 BHADRN CSCCSCCCc1cccc(F)c1 ZINC000778625659 585738264 /nfs/dbraw/zinc/73/82/64/585738264.db2.gz CNWWKAKXIVWRRB-UHFFFAOYSA-N 0 0 244.400 3.855 20 0 BHADRN C[C@@H](CNc1ccc(F)nc1)c1ccc(F)cc1 ZINC000778635233 585738319 /nfs/dbraw/zinc/73/83/19/585738319.db2.gz GJDOWLLYYJFTMG-JTQLQIEISA-N 0 0 248.276 3.575 20 0 BHADRN C[C@H](CNc1ccc(F)nc1)c1ccc(F)cc1 ZINC000778635238 585738210 /nfs/dbraw/zinc/73/82/10/585738210.db2.gz GJDOWLLYYJFTMG-SNVBAGLBSA-N 0 0 248.276 3.575 20 0 BHADRN CC(C)Oc1cc(F)ccc1NCc1ccoc1 ZINC000778645436 585738431 /nfs/dbraw/zinc/73/84/31/585738431.db2.gz AQOSIKVTMAVFNE-UHFFFAOYSA-N 0 0 249.285 3.818 20 0 BHADRN C/C(=C\c1ccc(C)cc1)C(=O)NCC(C)(C)C ZINC000778646025 585738518 /nfs/dbraw/zinc/73/85/18/585738518.db2.gz MFVPVFXYZRPDBA-JLHYYAGUSA-N 0 0 245.366 3.561 20 0 BHADRN C/C(=C/c1ccc(C)cc1)C(=O)NCC(C)(C)C ZINC000778646027 585738608 /nfs/dbraw/zinc/73/86/08/585738608.db2.gz MFVPVFXYZRPDBA-RAXLEYEMSA-N 0 0 245.366 3.561 20 0 BHADRN CCCCCC(CCCCC)NC(=O)N(C)C ZINC000778654745 582552010 /nfs/dbraw/zinc/55/20/10/582552010.db2.gz ABTGCDBVZLLCMP-UHFFFAOYSA-N 0 0 242.407 3.787 20 0 BHADRN Cc1cscc1C(=O)OC1(C)CCCC1 ZINC000778667682 585738775 /nfs/dbraw/zinc/73/87/75/585738775.db2.gz DBWQNZROVXLWNE-UHFFFAOYSA-N 0 0 224.325 3.546 20 0 BHADRN Cc1ccc(C(=O)OC2(C)CCCC2)c(F)c1 ZINC000778667842 585738748 /nfs/dbraw/zinc/73/87/48/585738748.db2.gz FKNMXDGRFCFCAP-UHFFFAOYSA-N 0 0 236.286 3.624 20 0 BHADRN CC1(OC(=O)/C=C\c2ccsc2)CCCC1 ZINC000778668333 585738836 /nfs/dbraw/zinc/73/88/36/585738836.db2.gz JZZKQNIQIHULEY-PLNGDYQASA-N 0 0 236.336 3.637 20 0 BHADRN CC1(OC(=O)/C=C/c2ccsc2)CCCC1 ZINC000778668336 585738780 /nfs/dbraw/zinc/73/87/80/585738780.db2.gz JZZKQNIQIHULEY-SNAWJCMRSA-N 0 0 236.336 3.637 20 0 BHADRN CC(C)c1cccc(C(=O)OC2(C)CCCC2)n1 ZINC000778669258 585738771 /nfs/dbraw/zinc/73/87/71/585738771.db2.gz TVAOQETWYBVLJC-UHFFFAOYSA-N 0 0 247.338 3.695 20 0 BHADRN CC1(OC(=O)/C=C\c2cccs2)CCCC1 ZINC000778669493 585738669 /nfs/dbraw/zinc/73/86/69/585738669.db2.gz XITFVIFJDLJUCT-SREVYHEPSA-N 0 0 236.336 3.637 20 0 BHADRN CC1(OC(=O)/C=C/c2cccs2)CCCC1 ZINC000778669495 585738759 /nfs/dbraw/zinc/73/87/59/585738759.db2.gz XITFVIFJDLJUCT-VOTSOKGWSA-N 0 0 236.336 3.637 20 0 BHADRN CC(C)c1ccc(C(=O)OC2(C)CCCC2)cn1 ZINC000778670718 585738660 /nfs/dbraw/zinc/73/86/60/585738660.db2.gz JILGGCKPZGVHER-UHFFFAOYSA-N 0 0 247.338 3.695 20 0 BHADRN CC1(OC(=O)c2ccccc2Cl)CCCC1 ZINC000778671645 585738659 /nfs/dbraw/zinc/73/86/59/585738659.db2.gz ONMKEGIKSHOMID-UHFFFAOYSA-N 0 0 238.714 3.830 20 0 BHADRN CCS[C@@H](C(=O)OC1(C)CCCC1)C(C)C ZINC000778672530 585738709 /nfs/dbraw/zinc/73/87/09/585738709.db2.gz LYFNJBBIYKNMCZ-LLVKDONJSA-N 0 0 244.400 3.640 20 0 BHADRN CCS[C@H](C(=O)OC1(C)CCCC1)C(C)C ZINC000778672532 585738794 /nfs/dbraw/zinc/73/87/94/585738794.db2.gz LYFNJBBIYKNMCZ-NSHDSACASA-N 0 0 244.400 3.640 20 0 BHADRN C[C@@H](C(=O)OC1(C)CCCC1)c1ccccc1 ZINC000778676243 585738858 /nfs/dbraw/zinc/73/88/58/585738858.db2.gz AMIWWECCOYPHQG-GFCCVEGCSA-N 0 0 232.323 3.666 20 0 BHADRN C[C@H](C(=O)OC1(C)CCCC1)c1ccccc1 ZINC000778676244 585738930 /nfs/dbraw/zinc/73/89/30/585738930.db2.gz AMIWWECCOYPHQG-LBPRGKRZSA-N 0 0 232.323 3.666 20 0 BHADRN CCCCSCCC(=O)OC1(C)CCCC1 ZINC000778676256 585738851 /nfs/dbraw/zinc/73/88/51/585738851.db2.gz AYOPXVJGSOOUNV-UHFFFAOYSA-N 0 0 244.400 3.786 20 0 BHADRN CC(C)CCSCC(=O)OC1(C)CCCC1 ZINC000778676399 585738941 /nfs/dbraw/zinc/73/89/41/585738941.db2.gz DFZHOYICIADKPN-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CC1(OC(=O)CCCC(F)(F)F)CCCC1 ZINC000778676742 585738914 /nfs/dbraw/zinc/73/89/14/585738914.db2.gz IDISRNKNBDHUGN-UHFFFAOYSA-N 0 0 238.249 3.595 20 0 BHADRN CC1(OC(=O)[C@H](F)c2ccccc2)CCCC1 ZINC000778678185 585739016 /nfs/dbraw/zinc/73/90/16/585739016.db2.gz UKAROMOUIUAGCC-GFCCVEGCSA-N 0 0 236.286 3.573 20 0 BHADRN CC1(OC(=O)[C@@H](F)c2ccccc2)CCCC1 ZINC000778678468 585738906 /nfs/dbraw/zinc/73/89/06/585738906.db2.gz UKAROMOUIUAGCC-LBPRGKRZSA-N 0 0 236.286 3.573 20 0 BHADRN Cc1cccc(C(=O)OC2(C)CCCC2)c1F ZINC000778678562 585738879 /nfs/dbraw/zinc/73/88/79/585738879.db2.gz WSGKKFPRXJZOKC-UHFFFAOYSA-N 0 0 236.286 3.624 20 0 BHADRN CC(C)C[C@@H](C)C(=O)OC1(C)CCCC1 ZINC000778678714 585738892 /nfs/dbraw/zinc/73/88/92/585738892.db2.gz ZWGWYIFBPDGULV-LLVKDONJSA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)C[C@H](C)C(=O)OC1(C)CCCC1 ZINC000778678722 585738848 /nfs/dbraw/zinc/73/88/48/585738848.db2.gz ZWGWYIFBPDGULV-NSHDSACASA-N 0 0 212.333 3.545 20 0 BHADRN CC1(OC(=O)c2cc3ccsc3[nH]2)CCCC1 ZINC000778679379 585739037 /nfs/dbraw/zinc/73/90/37/585739037.db2.gz LOMRTSIRIAVIEU-UHFFFAOYSA-N 0 0 249.335 3.719 20 0 BHADRN CC1(OC(=O)C[C@@H]2C=CCCC2)CCCC1 ZINC000778679616 585738859 /nfs/dbraw/zinc/73/88/59/585738859.db2.gz NBPBGBHCXJOQOK-GFCCVEGCSA-N 0 0 222.328 3.609 20 0 BHADRN CC1(OC(=O)C[C@H]2C=CCCC2)CCCC1 ZINC000778679617 585738999 /nfs/dbraw/zinc/73/89/99/585738999.db2.gz NBPBGBHCXJOQOK-LBPRGKRZSA-N 0 0 222.328 3.609 20 0 BHADRN Cc1ccc(F)c(C(=O)OC2(C)CCCC2)c1 ZINC000778680137 585738990 /nfs/dbraw/zinc/73/89/90/585738990.db2.gz QMWOOHGNGPNGIB-UHFFFAOYSA-N 0 0 236.286 3.624 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)OC1(C)CCCC1 ZINC000778680155 585738923 /nfs/dbraw/zinc/73/89/23/585738923.db2.gz RHMMPFMGMNTZJZ-GHMZBOCLSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)OC1(C)CCCC1 ZINC000778680157 585738929 /nfs/dbraw/zinc/73/89/29/585738929.db2.gz RHMMPFMGMNTZJZ-MNOVXSKESA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OC1(C)CCCC1 ZINC000778680159 585738884 /nfs/dbraw/zinc/73/88/84/585738884.db2.gz RHMMPFMGMNTZJZ-QWRGUYRKSA-N 0 0 212.333 3.545 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OC1(C)CCCC1 ZINC000778680178 585738952 /nfs/dbraw/zinc/73/89/52/585738952.db2.gz RHMMPFMGMNTZJZ-WDEREUQCSA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)n1cccc1C(=O)OC1(C)CCCC1 ZINC000778680703 585739077 /nfs/dbraw/zinc/73/90/77/585739077.db2.gz WMMZRZDMXDNINV-UHFFFAOYSA-N 0 0 235.327 3.559 20 0 BHADRN C[C@@H](OC(=O)C[C@H]1C=CCCC1)c1ccco1 ZINC000778697725 585739304 /nfs/dbraw/zinc/73/93/04/585739304.db2.gz SFWKRHUOSWLLPF-NEPJUHHUSA-N 0 0 234.295 3.630 20 0 BHADRN C[C@H](OC(=O)C[C@@H]1C=CCCC1)c1ccco1 ZINC000778697729 585739302 /nfs/dbraw/zinc/73/93/02/585739302.db2.gz SFWKRHUOSWLLPF-NWDGAFQWSA-N 0 0 234.295 3.630 20 0 BHADRN C[C@H](OC(=O)C[C@H]1C=CCCC1)c1ccco1 ZINC000778697733 582553143 /nfs/dbraw/zinc/55/31/43/582553143.db2.gz SFWKRHUOSWLLPF-RYUDHWBXSA-N 0 0 234.295 3.630 20 0 BHADRN C[C@@H](OC(=O)C[C@@H]1C=CCCC1)c1ccco1 ZINC000778697736 582553652 /nfs/dbraw/zinc/55/36/52/582553652.db2.gz SFWKRHUOSWLLPF-VXGBXAGGSA-N 0 0 234.295 3.630 20 0 BHADRN CC[C@@H](C)c1ccc(C(=O)N2CC=CCC2)cc1 ZINC000778698494 585739286 /nfs/dbraw/zinc/73/92/86/585739286.db2.gz ZVFJOYYHQFKVIE-CYBMUJFWSA-N 0 0 243.350 3.602 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2CC=CCC2)cc1 ZINC000778698495 585739440 /nfs/dbraw/zinc/73/94/40/585739440.db2.gz ZVFJOYYHQFKVIE-ZDUSSCGKSA-N 0 0 243.350 3.602 20 0 BHADRN C/C=C/C=C/C(=O)Nc1csc2ccccc12 ZINC000778720474 585739947 /nfs/dbraw/zinc/73/99/47/585739947.db2.gz CUYHISQOPOJRDM-DSXPNFDZSA-N 0 0 243.331 3.972 20 0 BHADRN C/C=C/C=C\C(=O)Nc1csc2ccccc12 ZINC000778720477 585739761 /nfs/dbraw/zinc/73/97/61/585739761.db2.gz CUYHISQOPOJRDM-OQIXSKIXSA-N 0 0 243.331 3.972 20 0 BHADRN CC(C)=CC(=O)Nc1csc2ccccc12 ZINC000778721348 585739777 /nfs/dbraw/zinc/73/97/77/585739777.db2.gz HVJKBQKKRZJIDP-UHFFFAOYSA-N 0 0 231.320 3.806 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)c1ncccc1CC ZINC000778743164 585740042 /nfs/dbraw/zinc/74/00/42/585740042.db2.gz AIXAAFRGFRUREJ-NEPJUHHUSA-N 0 0 249.354 3.626 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)c1ncccc1CC ZINC000778743165 585740053 /nfs/dbraw/zinc/74/00/53/585740053.db2.gz AIXAAFRGFRUREJ-NWDGAFQWSA-N 0 0 249.354 3.626 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)c1ncccc1CC ZINC000778743166 585740104 /nfs/dbraw/zinc/74/01/04/585740104.db2.gz AIXAAFRGFRUREJ-RYUDHWBXSA-N 0 0 249.354 3.626 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)c1ncccc1CC ZINC000778743167 585740161 /nfs/dbraw/zinc/74/01/61/585740161.db2.gz AIXAAFRGFRUREJ-VXGBXAGGSA-N 0 0 249.354 3.626 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)[C@H]1CCCCS1 ZINC000778743762 585740095 /nfs/dbraw/zinc/74/00/95/585740095.db2.gz FHMLMTARFPAVFV-QJPTWQEYSA-N 0 0 244.400 3.640 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)[C@H]1CCCCS1 ZINC000778743765 585740085 /nfs/dbraw/zinc/74/00/85/585740085.db2.gz FHMLMTARFPAVFV-SDDRHHMPSA-N 0 0 244.400 3.640 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)[C@@H]1CCCCS1 ZINC000778743767 585740094 /nfs/dbraw/zinc/74/00/94/585740094.db2.gz FHMLMTARFPAVFV-SRVKXCTJSA-N 0 0 244.400 3.640 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)[C@@H]1CCCCS1 ZINC000778743774 585739764 /nfs/dbraw/zinc/73/97/64/585739764.db2.gz FHMLMTARFPAVFV-TUAOUCFPSA-N 0 0 244.400 3.640 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)/C=C/c1ccco1 ZINC000778744069 585740027 /nfs/dbraw/zinc/74/00/27/585740027.db2.gz GEPKOVLDHXBCCK-OMJLJAAMSA-N 0 0 236.311 3.661 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)/C=C\c1ccco1 ZINC000778744070 585740179 /nfs/dbraw/zinc/74/01/79/585740179.db2.gz GEPKOVLDHXBCCK-RTVKQWPZSA-N 0 0 236.311 3.661 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)/C=C\c1ccco1 ZINC000778744072 585739996 /nfs/dbraw/zinc/73/99/96/585739996.db2.gz GEPKOVLDHXBCCK-RZRXIGATSA-N 0 0 236.311 3.661 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)/C=C/c1ccco1 ZINC000778744074 585739946 /nfs/dbraw/zinc/73/99/46/585739946.db2.gz GEPKOVLDHXBCCK-VDTGWRSZSA-N 0 0 236.311 3.661 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)C1CCCC1 ZINC000778744700 585739791 /nfs/dbraw/zinc/73/97/91/585739791.db2.gz KIVWJLFUECKZKT-GHMZBOCLSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)C1CCCC1 ZINC000778744701 585739883 /nfs/dbraw/zinc/73/98/83/585739883.db2.gz KIVWJLFUECKZKT-MNOVXSKESA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)C1CCCC1 ZINC000778744703 585739899 /nfs/dbraw/zinc/73/98/99/585739899.db2.gz KIVWJLFUECKZKT-QWRGUYRKSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)C1CCCC1 ZINC000778744712 585739802 /nfs/dbraw/zinc/73/98/02/585739802.db2.gz KIVWJLFUECKZKT-WDEREUQCSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)CC[C@@H](C)SC ZINC000778744909 585740297 /nfs/dbraw/zinc/74/02/97/585740297.db2.gz LSQZPHNNZXLQKE-QJPTWQEYSA-N 0 0 246.416 3.886 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)CC[C@H](C)SC ZINC000778744929 585740329 /nfs/dbraw/zinc/74/03/29/585740329.db2.gz LSQZPHNNZXLQKE-SDDRHHMPSA-N 0 0 246.416 3.886 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)CC[C@H](C)SC ZINC000778744931 585740339 /nfs/dbraw/zinc/74/03/39/585740339.db2.gz LSQZPHNNZXLQKE-SRVKXCTJSA-N 0 0 246.416 3.886 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)CC[C@@H](C)SC ZINC000778744933 585740198 /nfs/dbraw/zinc/74/01/98/585740198.db2.gz LSQZPHNNZXLQKE-TUAOUCFPSA-N 0 0 246.416 3.886 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)C1(F)CCCC1 ZINC000778745084 585740355 /nfs/dbraw/zinc/74/03/55/585740355.db2.gz MTFNLMULQWCMSI-GHMZBOCLSA-N 0 0 230.323 3.637 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)C1(F)CCCC1 ZINC000778745085 585740385 /nfs/dbraw/zinc/74/03/85/585740385.db2.gz MTFNLMULQWCMSI-MNOVXSKESA-N 0 0 230.323 3.637 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)C1(F)CCCC1 ZINC000778745086 585740223 /nfs/dbraw/zinc/74/02/23/585740223.db2.gz MTFNLMULQWCMSI-QWRGUYRKSA-N 0 0 230.323 3.637 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)C1(F)CCCC1 ZINC000778745087 585740377 /nfs/dbraw/zinc/74/03/77/585740377.db2.gz MTFNLMULQWCMSI-WDEREUQCSA-N 0 0 230.323 3.637 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)[C@H](C)c1ccco1 ZINC000778745668 585740257 /nfs/dbraw/zinc/74/02/57/585740257.db2.gz PSXAUIIDHCCIGH-QJPTWQEYSA-N 0 0 238.327 3.751 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)[C@@H](C)c1ccco1 ZINC000778745669 585740401 /nfs/dbraw/zinc/74/04/01/585740401.db2.gz PSXAUIIDHCCIGH-SDDRHHMPSA-N 0 0 238.327 3.751 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)[C@@H](C)c1ccco1 ZINC000778745670 585740239 /nfs/dbraw/zinc/74/02/39/585740239.db2.gz PSXAUIIDHCCIGH-SRVKXCTJSA-N 0 0 238.327 3.751 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)[C@H](C)c1ccco1 ZINC000778745671 585740243 /nfs/dbraw/zinc/74/02/43/585740243.db2.gz PSXAUIIDHCCIGH-TUAOUCFPSA-N 0 0 238.327 3.751 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)[C@H]1CC12CCC2 ZINC000778745782 585740209 /nfs/dbraw/zinc/74/02/09/585740209.db2.gz RQEBMFWRMAMCRI-QJPTWQEYSA-N 0 0 224.344 3.545 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)[C@H]1CC12CCC2 ZINC000778745783 585740331 /nfs/dbraw/zinc/74/03/31/585740331.db2.gz RQEBMFWRMAMCRI-SDDRHHMPSA-N 0 0 224.344 3.545 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)[C@@H]1CC12CCC2 ZINC000778745784 585740347 /nfs/dbraw/zinc/74/03/47/585740347.db2.gz RQEBMFWRMAMCRI-SRVKXCTJSA-N 0 0 224.344 3.545 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)[C@@H]1CC12CCC2 ZINC000778745785 585740199 /nfs/dbraw/zinc/74/01/99/585740199.db2.gz RQEBMFWRMAMCRI-TUAOUCFPSA-N 0 0 224.344 3.545 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)C1(CC)CC1 ZINC000778746338 585740304 /nfs/dbraw/zinc/74/03/04/585740304.db2.gz VSIZULOQGLWBAF-GHMZBOCLSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)C1(CC)CC1 ZINC000778746339 585740396 /nfs/dbraw/zinc/74/03/96/585740396.db2.gz VSIZULOQGLWBAF-MNOVXSKESA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)C1(CC)CC1 ZINC000778746340 585740278 /nfs/dbraw/zinc/74/02/78/585740278.db2.gz VSIZULOQGLWBAF-QWRGUYRKSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)C1(CC)CC1 ZINC000778746341 585740402 /nfs/dbraw/zinc/74/04/02/585740402.db2.gz VSIZULOQGLWBAF-WDEREUQCSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)CCC(C)(F)F ZINC000778746852 585740263 /nfs/dbraw/zinc/74/02/63/585740263.db2.gz YOOLLZOEZZTFOQ-NXEZZACHSA-N 0 0 236.302 3.790 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)CCC(C)(F)F ZINC000778746853 585740405 /nfs/dbraw/zinc/74/04/05/585740405.db2.gz YOOLLZOEZZTFOQ-UWVGGRQHSA-N 0 0 236.302 3.790 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)CCC(C)(F)F ZINC000778746854 585740393 /nfs/dbraw/zinc/74/03/93/585740393.db2.gz YOOLLZOEZZTFOQ-VHSXEESVSA-N 0 0 236.302 3.790 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)CCC(C)(F)F ZINC000778746855 585740249 /nfs/dbraw/zinc/74/02/49/585740249.db2.gz YOOLLZOEZZTFOQ-ZJUUUORDSA-N 0 0 236.302 3.790 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)CCCCSC ZINC000778747106 585739840 /nfs/dbraw/zinc/73/98/40/585739840.db2.gz BXQYWICPKVDUJL-NEPJUHHUSA-N 0 0 246.416 3.888 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)CCCCSC ZINC000778747107 585739854 /nfs/dbraw/zinc/73/98/54/585739854.db2.gz BXQYWICPKVDUJL-NWDGAFQWSA-N 0 0 246.416 3.888 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)CCCCSC ZINC000778747108 585739924 /nfs/dbraw/zinc/73/99/24/585739924.db2.gz BXQYWICPKVDUJL-RYUDHWBXSA-N 0 0 246.416 3.888 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)CCCCSC ZINC000778747110 585739922 /nfs/dbraw/zinc/73/99/22/585739922.db2.gz BXQYWICPKVDUJL-VXGBXAGGSA-N 0 0 246.416 3.888 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)Cc1cccs1 ZINC000778747133 585740265 /nfs/dbraw/zinc/74/02/65/585740265.db2.gz BZPPJVZOGYWOHC-GHMZBOCLSA-N 0 0 240.368 3.659 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)Cc1cccs1 ZINC000778747135 585740383 /nfs/dbraw/zinc/74/03/83/585740383.db2.gz BZPPJVZOGYWOHC-MNOVXSKESA-N 0 0 240.368 3.659 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)Cc1cccs1 ZINC000778747137 585740318 /nfs/dbraw/zinc/74/03/18/585740318.db2.gz BZPPJVZOGYWOHC-QWRGUYRKSA-N 0 0 240.368 3.659 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)Cc1cccs1 ZINC000778747139 585740236 /nfs/dbraw/zinc/74/02/36/585740236.db2.gz BZPPJVZOGYWOHC-WDEREUQCSA-N 0 0 240.368 3.659 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)C1(C)CCC1 ZINC000778748076 585740575 /nfs/dbraw/zinc/74/05/75/585740575.db2.gz KNYMEPSJJLMSQR-GHMZBOCLSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)C1(C)CCC1 ZINC000778748077 585740426 /nfs/dbraw/zinc/74/04/26/585740426.db2.gz KNYMEPSJJLMSQR-MNOVXSKESA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)C1(C)CCC1 ZINC000778748078 585740541 /nfs/dbraw/zinc/74/05/41/585740541.db2.gz KNYMEPSJJLMSQR-QWRGUYRKSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)C1(C)CCC1 ZINC000778748080 585740453 /nfs/dbraw/zinc/74/04/53/585740453.db2.gz KNYMEPSJJLMSQR-WDEREUQCSA-N 0 0 212.333 3.545 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)CCc1ccco1 ZINC000778748700 585740538 /nfs/dbraw/zinc/74/05/38/585740538.db2.gz QJRHGAKXUJTEDY-NEPJUHHUSA-N 0 0 238.327 3.580 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)CCc1ccco1 ZINC000778748814 585740415 /nfs/dbraw/zinc/74/04/15/585740415.db2.gz QJRHGAKXUJTEDY-NWDGAFQWSA-N 0 0 238.327 3.580 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)CCc1ccco1 ZINC000778748815 585740523 /nfs/dbraw/zinc/74/05/23/585740523.db2.gz QJRHGAKXUJTEDY-RYUDHWBXSA-N 0 0 238.327 3.580 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)CCc1ccco1 ZINC000778748816 585740424 /nfs/dbraw/zinc/74/04/24/585740424.db2.gz QJRHGAKXUJTEDY-VXGBXAGGSA-N 0 0 238.327 3.580 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)CCc1ccoc1 ZINC000778749135 585740595 /nfs/dbraw/zinc/74/05/95/585740595.db2.gz CFKLEYHPIOSOOK-NEPJUHHUSA-N 0 0 238.327 3.580 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)CCc1ccoc1 ZINC000778749136 585740580 /nfs/dbraw/zinc/74/05/80/585740580.db2.gz CFKLEYHPIOSOOK-NWDGAFQWSA-N 0 0 238.327 3.580 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)CCc1ccoc1 ZINC000778749137 585740556 /nfs/dbraw/zinc/74/05/56/585740556.db2.gz CFKLEYHPIOSOOK-RYUDHWBXSA-N 0 0 238.327 3.580 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)CCc1ccoc1 ZINC000778749138 585740480 /nfs/dbraw/zinc/74/04/80/585740480.db2.gz CFKLEYHPIOSOOK-VXGBXAGGSA-N 0 0 238.327 3.580 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)Cc1ccsc1 ZINC000778750125 585740510 /nfs/dbraw/zinc/74/05/10/585740510.db2.gz HVNUXIXHTCEMBN-GHMZBOCLSA-N 0 0 240.368 3.659 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)Cc1ccsc1 ZINC000778750126 585740588 /nfs/dbraw/zinc/74/05/88/585740588.db2.gz HVNUXIXHTCEMBN-MNOVXSKESA-N 0 0 240.368 3.659 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)Cc1ccsc1 ZINC000778750127 585740469 /nfs/dbraw/zinc/74/04/69/585740469.db2.gz HVNUXIXHTCEMBN-QWRGUYRKSA-N 0 0 240.368 3.659 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)Cc1ccsc1 ZINC000778750128 585740537 /nfs/dbraw/zinc/74/05/37/585740537.db2.gz HVNUXIXHTCEMBN-WDEREUQCSA-N 0 0 240.368 3.659 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)CCCOC(C)C ZINC000778751855 585740494 /nfs/dbraw/zinc/74/04/94/585740494.db2.gz MTVQGDFNRVMBTQ-CHWSQXEVSA-N 0 0 244.375 3.560 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)CCCOC(C)C ZINC000778751856 585740605 /nfs/dbraw/zinc/74/06/05/585740605.db2.gz MTVQGDFNRVMBTQ-OLZOCXBDSA-N 0 0 244.375 3.560 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)CCCOC(C)C ZINC000778751858 585740569 /nfs/dbraw/zinc/74/05/69/585740569.db2.gz MTVQGDFNRVMBTQ-QWHCGFSZSA-N 0 0 244.375 3.560 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)CCCOC(C)C ZINC000778751859 585740571 /nfs/dbraw/zinc/74/05/71/585740571.db2.gz MTVQGDFNRVMBTQ-STQMWFEESA-N 0 0 244.375 3.560 20 0 BHADRN CCC[C@@H](C)[C@H](C)OC(=O)CCC(F)(F)F ZINC000778753296 585740451 /nfs/dbraw/zinc/74/04/51/585740451.db2.gz USJJTVGDWRLKLO-BDAKNGLRSA-N 0 0 240.265 3.697 20 0 BHADRN CCC[C@H](C)[C@@H](C)OC(=O)CCC(F)(F)F ZINC000778753304 585740582 /nfs/dbraw/zinc/74/05/82/585740582.db2.gz USJJTVGDWRLKLO-DTWKUNHWSA-N 0 0 240.265 3.697 20 0 BHADRN CCC[C@H](C)[C@H](C)OC(=O)CCC(F)(F)F ZINC000778753306 585740450 /nfs/dbraw/zinc/74/04/50/585740450.db2.gz USJJTVGDWRLKLO-IUCAKERBSA-N 0 0 240.265 3.697 20 0 BHADRN CCC[C@@H](C)[C@@H](C)OC(=O)CCC(F)(F)F ZINC000778753309 585740572 /nfs/dbraw/zinc/74/05/72/585740572.db2.gz USJJTVGDWRLKLO-RKDXNWHRSA-N 0 0 240.265 3.697 20 0 BHADRN CC(C)[C@H](Cc1ccccc1)OC(=O)C1CCC1 ZINC000778832376 585741295 /nfs/dbraw/zinc/74/12/95/585741295.db2.gz CDOHLOIETAGLFP-HNNXBMFYSA-N 0 0 246.350 3.597 20 0 BHADRN CC(C)[C@@H](Cc1ccccc1)OC(=O)C1CCC1 ZINC000778832377 585741369 /nfs/dbraw/zinc/74/13/69/585741369.db2.gz CDOHLOIETAGLFP-OAHLLOKOSA-N 0 0 246.350 3.597 20 0 BHADRN CC(C)[C@H](Cc1ccccc1)OC(=O)CC1CC1 ZINC000778832887 585741347 /nfs/dbraw/zinc/74/13/47/585741347.db2.gz HTTHAUBNPIXZCC-HNNXBMFYSA-N 0 0 246.350 3.597 20 0 BHADRN CC(C)[C@@H](Cc1ccccc1)OC(=O)CC1CC1 ZINC000778832889 585741338 /nfs/dbraw/zinc/74/13/38/585741338.db2.gz HTTHAUBNPIXZCC-OAHLLOKOSA-N 0 0 246.350 3.597 20 0 BHADRN CC[C@@H](C)OC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000778881782 585742101 /nfs/dbraw/zinc/74/21/01/585742101.db2.gz XBPCAHLZVJPLSW-CHWSQXEVSA-N 0 0 234.339 3.515 20 0 BHADRN CC[C@H](C)OC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000778881785 585742188 /nfs/dbraw/zinc/74/21/88/585742188.db2.gz XBPCAHLZVJPLSW-OLZOCXBDSA-N 0 0 234.339 3.515 20 0 BHADRN CC[C@@H](C)OC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000778881786 585742190 /nfs/dbraw/zinc/74/21/90/585742190.db2.gz XBPCAHLZVJPLSW-QWHCGFSZSA-N 0 0 234.339 3.515 20 0 BHADRN CC[C@H](C)OC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000778881787 585742131 /nfs/dbraw/zinc/74/21/31/585742131.db2.gz XBPCAHLZVJPLSW-STQMWFEESA-N 0 0 234.339 3.515 20 0 BHADRN CCCCCCC(=O)Nc1c(C)cccc1O ZINC000778956354 585742593 /nfs/dbraw/zinc/74/25/93/585742593.db2.gz LKTAHVNPFPRMEY-UHFFFAOYSA-N 0 0 235.327 3.610 20 0 BHADRN C/C(=C/C(=O)Nc1c(C)cccc1O)C(C)(C)C ZINC000778959191 585743235 /nfs/dbraw/zinc/74/32/35/585743235.db2.gz VISIKWVKUAJLRP-LUAWRHEFSA-N 0 0 247.338 3.632 20 0 BHADRN C/C(=C\C(=O)Nc1c(C)cccc1O)C(C)(C)C ZINC000778959192 585743195 /nfs/dbraw/zinc/74/31/95/585743195.db2.gz VISIKWVKUAJLRP-PKNBQFBNSA-N 0 0 247.338 3.632 20 0 BHADRN O=C(C=C1CCC1)Nc1csc2ccccc12 ZINC000778967998 585742976 /nfs/dbraw/zinc/74/29/76/585742976.db2.gz IMZGCACNNZCXTO-UHFFFAOYSA-N 0 0 243.331 3.950 20 0 BHADRN O=C(/C=C/C1CC1)Nc1csc2ccccc12 ZINC000778969435 585743054 /nfs/dbraw/zinc/74/30/54/585743054.db2.gz METBINSGDBYNCA-BQYQJAHWSA-N 0 0 243.331 3.806 20 0 BHADRN O=C(/C=C\C1CC1)Nc1csc2ccccc12 ZINC000778969436 585743273 /nfs/dbraw/zinc/74/32/73/585743273.db2.gz METBINSGDBYNCA-FPLPWBNLSA-N 0 0 243.331 3.806 20 0 BHADRN C/C=C(/C)C(=O)Nc1csc2ccccc12 ZINC000778969446 585742995 /nfs/dbraw/zinc/74/29/95/585742995.db2.gz MKFDYAUVDJLBBY-OQFOIZHKSA-N 0 0 231.320 3.806 20 0 BHADRN C/C=C(\C)C(=O)Nc1csc2ccccc12 ZINC000778969447 585743314 /nfs/dbraw/zinc/74/33/14/585743314.db2.gz MKFDYAUVDJLBBY-YCRREMRBSA-N 0 0 231.320 3.806 20 0 BHADRN CS/C=C\C(=O)Nc1csc2ccccc12 ZINC000778970051 585743519 /nfs/dbraw/zinc/74/35/19/585743519.db2.gz XGZCZQSFVXZGTM-SREVYHEPSA-N 0 0 249.360 3.717 20 0 BHADRN CS/C=C/C(=O)Nc1csc2ccccc12 ZINC000778970059 585743595 /nfs/dbraw/zinc/74/35/95/585743595.db2.gz XGZCZQSFVXZGTM-VOTSOKGWSA-N 0 0 249.360 3.717 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1CC=CCC1 ZINC000778988238 585743610 /nfs/dbraw/zinc/74/36/10/585743610.db2.gz AQIBYKCVLJJASK-AWEZNQCLSA-N 0 0 237.387 3.772 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1CC=CCC1 ZINC000778988239 585743504 /nfs/dbraw/zinc/74/35/04/585743504.db2.gz AQIBYKCVLJJASK-CQSZACIVSA-N 0 0 237.387 3.772 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1CC=CCC1 ZINC000778989138 585743452 /nfs/dbraw/zinc/74/34/52/585743452.db2.gz RSXYCYJSKBCDQB-AWEZNQCLSA-N 0 0 237.387 3.772 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)N1CC=CCC1 ZINC000778989139 585743628 /nfs/dbraw/zinc/74/36/28/585743628.db2.gz RSXYCYJSKBCDQB-CQSZACIVSA-N 0 0 237.387 3.772 20 0 BHADRN CCCCC[C@H](C(=O)N1CC=CCC1)C(C)C ZINC000778993607 585743386 /nfs/dbraw/zinc/74/33/86/585743386.db2.gz VGPJJFVGSCWCOH-AWEZNQCLSA-N 0 0 237.387 3.627 20 0 BHADRN 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/nfs/dbraw/zinc/74/98/37/585749837.db2.gz RDJUQUZBBHLVBZ-JTQLQIEISA-N 0 0 236.286 3.620 20 0 BHADRN CCC1(C(=O)O[C@H](C)c2ccccc2F)CC1 ZINC000779274470 585749869 /nfs/dbraw/zinc/74/98/69/585749869.db2.gz RDJUQUZBBHLVBZ-SNVBAGLBSA-N 0 0 236.286 3.620 20 0 BHADRN CC[C@@H](OC(=O)C(C)(C)C)c1ccccc1 ZINC000779274649 585749804 /nfs/dbraw/zinc/74/98/04/585749804.db2.gz QSJVPPJECWRJKM-GFCCVEGCSA-N 0 0 220.312 3.727 20 0 BHADRN CC[C@H](OC(=O)C(C)(C)C)c1ccccc1 ZINC000779274651 585749896 /nfs/dbraw/zinc/74/98/96/585749896.db2.gz QSJVPPJECWRJKM-LBPRGKRZSA-N 0 0 220.312 3.727 20 0 BHADRN CCC(C)(C)C(=O)O[C@@H](C)c1ccccc1F ZINC000779274769 585749892 /nfs/dbraw/zinc/74/98/92/585749892.db2.gz VMRLTMJNQWXNGN-JTQLQIEISA-N 0 0 238.302 3.866 20 0 BHADRN CCC(C)(C)C(=O)O[C@H](C)c1ccccc1F ZINC000779274770 585749882 /nfs/dbraw/zinc/74/98/82/585749882.db2.gz VMRLTMJNQWXNGN-SNVBAGLBSA-N 0 0 238.302 3.866 20 0 BHADRN CC[C@@H](OC(=O)C1(CC)CC1)c1ccccc1 ZINC000779275290 585749790 /nfs/dbraw/zinc/74/97/90/585749790.db2.gz WTQKVPCDUGVBKT-CYBMUJFWSA-N 0 0 232.323 3.871 20 0 BHADRN CC[C@H](OC(=O)C1(CC)CC1)c1ccccc1 ZINC000779275293 585749866 /nfs/dbraw/zinc/74/98/66/585749866.db2.gz WTQKVPCDUGVBKT-ZDUSSCGKSA-N 0 0 232.323 3.871 20 0 BHADRN CCCC[C@@H](CC)C(=O)NOC1CCCCC1 ZINC000779322633 585750972 /nfs/dbraw/zinc/75/09/72/585750972.db2.gz TYVPJDDDQDVFLJ-GFCCVEGCSA-N 0 0 241.375 3.583 20 0 BHADRN CCCC[C@H](CC)C(=O)NOC1CCCCC1 ZINC000779322634 585751017 /nfs/dbraw/zinc/75/10/17/585751017.db2.gz TYVPJDDDQDVFLJ-LBPRGKRZSA-N 0 0 241.375 3.583 20 0 BHADRN CCC(CC)(CC)C(=O)NOC1CCCCC1 ZINC000779324025 585751223 /nfs/dbraw/zinc/75/12/23/585751223.db2.gz XOUXWTUCXBBHOI-UHFFFAOYSA-N 0 0 241.375 3.583 20 0 BHADRN CCCC(CCC)C(=O)NOC1CCCCC1 ZINC000779326191 585751270 /nfs/dbraw/zinc/75/12/70/585751270.db2.gz YDWWMLHCSASZLX-UHFFFAOYSA-N 0 0 241.375 3.583 20 0 BHADRN CCCn1cc(NC[C@@H]2C(C)=CCC[C@@H]2C)cn1 ZINC000779365780 585752649 /nfs/dbraw/zinc/75/26/49/585752649.db2.gz QZPMVIKABHTBBT-DZGCQCFKSA-N 0 0 247.386 3.697 20 0 BHADRN CCCn1cc(NC[C@H]2C(C)=CCC[C@H]2C)cn1 ZINC000779365781 585752646 /nfs/dbraw/zinc/75/26/46/585752646.db2.gz QZPMVIKABHTBBT-HIFRSBDPSA-N 0 0 247.386 3.697 20 0 BHADRN CCCn1cc(NC[C@@H]2C(C)=CCC[C@H]2C)cn1 ZINC000779365783 585752468 /nfs/dbraw/zinc/75/24/68/585752468.db2.gz QZPMVIKABHTBBT-UKRRQHHQSA-N 0 0 247.386 3.697 20 0 BHADRN CCCn1cc(NC[C@H]2C(C)=CCC[C@@H]2C)cn1 ZINC000779365784 585752609 /nfs/dbraw/zinc/75/26/09/585752609.db2.gz QZPMVIKABHTBBT-ZFWWWQNUSA-N 0 0 247.386 3.697 20 0 BHADRN CCCCCc1ccc(N[C@H](C)CCO)cc1 ZINC000779418711 585754360 /nfs/dbraw/zinc/75/43/60/585754360.db2.gz VOCJCXBXARXTQR-CYBMUJFWSA-N 0 0 235.371 3.602 20 0 BHADRN CCCCCc1ccc(N[C@@H](C)CCO)cc1 ZINC000779418713 585754388 /nfs/dbraw/zinc/75/43/88/585754388.db2.gz VOCJCXBXARXTQR-ZDUSSCGKSA-N 0 0 235.371 3.602 20 0 BHADRN C[C@H](CCO)Nc1cccc(-c2cccs2)c1 ZINC000779423629 585755004 /nfs/dbraw/zinc/75/50/04/585755004.db2.gz RIVSDBBMAIPALG-LLVKDONJSA-N 0 0 247.363 3.598 20 0 BHADRN C[C@@H](CCO)Nc1cccc(-c2cccs2)c1 ZINC000779423633 585754852 /nfs/dbraw/zinc/75/48/52/585754852.db2.gz RIVSDBBMAIPALG-NSHDSACASA-N 0 0 247.363 3.598 20 0 BHADRN CCc1cnccc1C(=O)OC1CCCCCC1 ZINC000779455829 585755247 /nfs/dbraw/zinc/75/52/47/585755247.db2.gz DUESXYYSLPJWKI-UHFFFAOYSA-N 0 0 247.338 3.524 20 0 BHADRN Cc1ccnc(Cl)c1OCC1CCCC1 ZINC000779641789 585757906 /nfs/dbraw/zinc/75/79/06/585757906.db2.gz HDXMLTSQQZMTSF-UHFFFAOYSA-N 0 0 225.719 3.612 20 0 BHADRN CCCCCOc1c(C)ccnc1Cl ZINC000779641911 585757842 /nfs/dbraw/zinc/75/78/42/585757842.db2.gz KTZLEIQCBIWWOK-UHFFFAOYSA-N 0 0 213.708 3.612 20 0 BHADRN Cc1cccc(OCc2ccc(Cl)s2)n1 ZINC000779642395 585757902 /nfs/dbraw/zinc/75/79/02/585757902.db2.gz LVSGTPKMDITWNJ-UHFFFAOYSA-N 0 0 239.727 3.684 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCCC[C@@H]1CC ZINC000779702831 585759151 /nfs/dbraw/zinc/75/91/51/585759151.db2.gz AOKPVYACECUCBB-HHQWOOOKSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCCC[C@H]1CC ZINC000779702832 585759156 /nfs/dbraw/zinc/75/91/56/585759156.db2.gz AOKPVYACECUCBB-XZHRJIJLSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCCC[C@H]1CC ZINC000779702833 585759029 /nfs/dbraw/zinc/75/90/29/585759029.db2.gz AOKPVYACECUCBB-YLGBQOPLSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCCC[C@@H]1CC ZINC000779702834 585759067 /nfs/dbraw/zinc/75/90/67/585759067.db2.gz AOKPVYACECUCBB-YLSINNKHSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccccc1C ZINC000779702862 585759162 /nfs/dbraw/zinc/75/91/62/585759162.db2.gz BBBOSCMKSNFROZ-BENRWUELSA-N 0 0 217.312 3.680 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccccc1C ZINC000779702863 585759185 /nfs/dbraw/zinc/75/91/85/585759185.db2.gz BBBOSCMKSNFROZ-ZRDIBKRKSA-N 0 0 217.312 3.680 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc(C)c1C ZINC000779702931 585759141 /nfs/dbraw/zinc/75/91/41/585759141.db2.gz BWJZDZJPJQMHBU-JLHYYAGUSA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc(C)c1C ZINC000779702932 585759097 /nfs/dbraw/zinc/75/90/97/585759097.db2.gz BWJZDZJPJQMHBU-RAXLEYEMSA-N 0 0 231.339 3.988 20 0 BHADRN CCOc1ccc(NC(=O)/C(C)=C(/C)CC)cc1 ZINC000779703123 585759195 /nfs/dbraw/zinc/75/91/95/585759195.db2.gz CVNBALVKHCEVJO-QXMHVHEDSA-N 0 0 247.338 3.770 20 0 BHADRN CCOc1ccc(NC(=O)/C(C)=C(\C)CC)cc1 ZINC000779703124 585759203 /nfs/dbraw/zinc/75/92/03/585759203.db2.gz CVNBALVKHCEVJO-VAWYXSNFSA-N 0 0 247.338 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc(C)c1 ZINC000779703135 585759082 /nfs/dbraw/zinc/75/90/82/585759082.db2.gz DEPVTGCYJANVNQ-QXMHVHEDSA-N 0 0 217.312 3.680 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc(C)c1 ZINC000779703136 585759031 /nfs/dbraw/zinc/75/90/31/585759031.db2.gz DEPVTGCYJANVNQ-VAWYXSNFSA-N 0 0 217.312 3.680 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(C)cc1C ZINC000779703267 585759092 /nfs/dbraw/zinc/75/90/92/585759092.db2.gz GFXKQSVMKLSIMY-ACCUITESSA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(C)cc1C ZINC000779703270 585759083 /nfs/dbraw/zinc/75/90/83/585759083.db2.gz GFXKQSVMKLSIMY-QBFSEMIESA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(C)c(C)c1 ZINC000779704146 585759188 /nfs/dbraw/zinc/75/91/88/585759188.db2.gz MWJVDKHTQGJUJW-JLHYYAGUSA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(C)c(C)c1 ZINC000779704147 585759042 /nfs/dbraw/zinc/75/90/42/585759042.db2.gz MWJVDKHTQGJUJW-RAXLEYEMSA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)C1CCCCC1 ZINC000779704156 585759090 /nfs/dbraw/zinc/75/90/90/585759090.db2.gz NBAVFTAUJAWLKH-QXMHVHEDSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)C1CCCCC1 ZINC000779704157 585759145 /nfs/dbraw/zinc/75/91/45/585759145.db2.gz NBAVFTAUJAWLKH-VAWYXSNFSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(F)cc1 ZINC000779704601 585759205 /nfs/dbraw/zinc/75/92/05/585759205.db2.gz SQMZBKGHDUTXBC-KTKRTIGZSA-N 0 0 221.275 3.511 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(F)cc1 ZINC000779704602 585759148 /nfs/dbraw/zinc/75/91/48/585759148.db2.gz SQMZBKGHDUTXBC-MDZDMXLPSA-N 0 0 221.275 3.511 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc(F)c1 ZINC000779705043 585759106 /nfs/dbraw/zinc/75/91/06/585759106.db2.gz YIVLVSLMTPBUEQ-KTKRTIGZSA-N 0 0 221.275 3.511 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc(F)c1 ZINC000779705044 585759144 /nfs/dbraw/zinc/75/91/44/585759144.db2.gz YIVLVSLMTPBUEQ-MDZDMXLPSA-N 0 0 221.275 3.511 20 0 BHADRN CC/C(C)=C(/C)C(=O)Oc1ccc(C(C)=O)cc1 ZINC000779705195 585759132 /nfs/dbraw/zinc/75/91/32/585759132.db2.gz BAVPYLNBDBZTJL-KHPPLWFESA-N 0 0 246.306 3.541 20 0 BHADRN CC/C(C)=C(\C)C(=O)Oc1ccc(C(C)=O)cc1 ZINC000779705196 585759115 /nfs/dbraw/zinc/75/91/15/585759115.db2.gz BAVPYLNBDBZTJL-ZHACJKMWSA-N 0 0 246.306 3.541 20 0 BHADRN CC/C(C)=C(/C)C(=O)Oc1ccccc1Cl ZINC000779705203 585759208 /nfs/dbraw/zinc/75/92/08/585759208.db2.gz BQYNUFJRFMTJNR-KTKRTIGZSA-N 0 0 238.714 3.992 20 0 BHADRN CC/C(C)=C(\C)C(=O)Oc1ccccc1Cl ZINC000779705204 585759016 /nfs/dbraw/zinc/75/90/16/585759016.db2.gz BQYNUFJRFMTJNR-MDZDMXLPSA-N 0 0 238.714 3.992 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Oc1cccc(C)c1 ZINC000779705207 585759171 /nfs/dbraw/zinc/75/91/71/585759171.db2.gz BTRXHVGEAWSNBQ-NEPJUHHUSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Oc1cccc(C)c1 ZINC000779705208 585759054 /nfs/dbraw/zinc/75/90/54/585759054.db2.gz BTRXHVGEAWSNBQ-NWDGAFQWSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Oc1cccc(C)c1 ZINC000779705209 585759160 /nfs/dbraw/zinc/75/91/60/585759160.db2.gz BTRXHVGEAWSNBQ-RYUDHWBXSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Oc1cccc(C)c1 ZINC000779705211 585759060 /nfs/dbraw/zinc/75/90/60/585759060.db2.gz BTRXHVGEAWSNBQ-VXGBXAGGSA-N 0 0 220.312 3.583 20 0 BHADRN CC/C(C)=C(/C)C(=O)Oc1ccc(C)cc1 ZINC000779705367 585759180 /nfs/dbraw/zinc/75/91/80/585759180.db2.gz DHFKSUNMBYZOBR-QXMHVHEDSA-N 0 0 218.296 3.647 20 0 BHADRN CC/C(C)=C(\C)C(=O)Oc1ccc(C)cc1 ZINC000779705368 585759173 /nfs/dbraw/zinc/75/91/73/585759173.db2.gz DHFKSUNMBYZOBR-VAWYXSNFSA-N 0 0 218.296 3.647 20 0 BHADRN CC/C(C)=C(/C)C(=O)Oc1ccccc1C ZINC000779705652 585759338 /nfs/dbraw/zinc/75/93/38/585759338.db2.gz GMZBGHGWKXHFPB-BENRWUELSA-N 0 0 218.296 3.647 20 0 BHADRN CC/C(C)=C(\C)C(=O)Oc1ccccc1C ZINC000779705653 585759209 /nfs/dbraw/zinc/75/92/09/585759209.db2.gz GMZBGHGWKXHFPB-ZRDIBKRKSA-N 0 0 218.296 3.647 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Oc1ccccc1C ZINC000779705729 585759388 /nfs/dbraw/zinc/75/93/88/585759388.db2.gz INSSMUJFIABKDW-CMPLNLGQSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Oc1ccccc1C ZINC000779705731 585759385 /nfs/dbraw/zinc/75/93/85/585759385.db2.gz INSSMUJFIABKDW-JQWIXIFHSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Oc1ccccc1C ZINC000779705732 585759238 /nfs/dbraw/zinc/75/92/38/585759238.db2.gz INSSMUJFIABKDW-PWSUYJOCSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Oc1ccccc1C ZINC000779705734 585759305 /nfs/dbraw/zinc/75/93/05/585759305.db2.gz INSSMUJFIABKDW-ZYHUDNBSSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Oc1ccc(C)cc1 ZINC000779706015 585759314 /nfs/dbraw/zinc/75/93/14/585759314.db2.gz JZPCWMNSOXLHDD-NEPJUHHUSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Oc1ccc(C)cc1 ZINC000779706017 585759086 /nfs/dbraw/zinc/75/90/86/585759086.db2.gz JZPCWMNSOXLHDD-NWDGAFQWSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Oc1ccc(C)cc1 ZINC000779706018 585759084 /nfs/dbraw/zinc/75/90/84/585759084.db2.gz JZPCWMNSOXLHDD-RYUDHWBXSA-N 0 0 220.312 3.583 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Oc1ccc(C)cc1 ZINC000779706019 585759101 /nfs/dbraw/zinc/75/91/01/585759101.db2.gz JZPCWMNSOXLHDD-VXGBXAGGSA-N 0 0 220.312 3.583 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cc(C)ccc1C ZINC000779706270 585759276 /nfs/dbraw/zinc/75/92/76/585759276.db2.gz AWVKFKFFIUWHMJ-ACCUITESSA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cc(C)ccc1C ZINC000779706272 585759296 /nfs/dbraw/zinc/75/92/96/585759296.db2.gz AWVKFKFFIUWHMJ-QBFSEMIESA-N 0 0 231.339 3.988 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Oc1ccccc1Cl ZINC000779706424 585759400 /nfs/dbraw/zinc/75/94/00/585759400.db2.gz MIAWZOZQIMXORE-NXEZZACHSA-N 0 0 240.730 3.928 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Oc1ccccc1Cl ZINC000779706434 585759339 /nfs/dbraw/zinc/75/93/39/585759339.db2.gz MIAWZOZQIMXORE-UWVGGRQHSA-N 0 0 240.730 3.928 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Oc1ccccc1Cl ZINC000779706435 585759223 /nfs/dbraw/zinc/75/92/23/585759223.db2.gz MIAWZOZQIMXORE-VHSXEESVSA-N 0 0 240.730 3.928 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Oc1ccccc1Cl ZINC000779706437 585759363 /nfs/dbraw/zinc/75/93/63/585759363.db2.gz MIAWZOZQIMXORE-ZJUUUORDSA-N 0 0 240.730 3.928 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000779707320 585759244 /nfs/dbraw/zinc/75/92/44/585759244.db2.gz MJLDHOKDMGAHTH-KHPPLWFESA-N 0 0 245.322 3.574 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000779707322 585759367 /nfs/dbraw/zinc/75/93/67/585759367.db2.gz MJLDHOKDMGAHTH-ZHACJKMWSA-N 0 0 245.322 3.574 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccccc1F ZINC000779708291 585759310 /nfs/dbraw/zinc/75/93/10/585759310.db2.gz ZLSWEJXDQLATEN-KTKRTIGZSA-N 0 0 221.275 3.511 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccccc1F ZINC000779708292 585759302 /nfs/dbraw/zinc/75/93/02/585759302.db2.gz ZLSWEJXDQLATEN-MDZDMXLPSA-N 0 0 221.275 3.511 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H](C)c1ccccc1 ZINC000779708825 585759219 /nfs/dbraw/zinc/75/92/19/585759219.db2.gz ZSDOKYOTPHQFMN-HHQWOOOKSA-N 0 0 231.339 3.610 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H](C)c1ccccc1 ZINC000779708829 585759214 /nfs/dbraw/zinc/75/92/14/585759214.db2.gz ZSDOKYOTPHQFMN-XZHRJIJLSA-N 0 0 231.339 3.610 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H](C)c1ccccc1 ZINC000779708830 585759246 /nfs/dbraw/zinc/75/92/46/585759246.db2.gz ZSDOKYOTPHQFMN-YLGBQOPLSA-N 0 0 231.339 3.610 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H](C)c1ccccc1 ZINC000779708831 585759330 /nfs/dbraw/zinc/75/93/30/585759330.db2.gz ZSDOKYOTPHQFMN-YLSINNKHSA-N 0 0 231.339 3.610 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(F)c(F)c1 ZINC000779710671 585759354 /nfs/dbraw/zinc/75/93/54/585759354.db2.gz AUESVJYOEZCZTM-CMDGGOBGSA-N 0 0 239.265 3.650 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(F)c(F)c1 ZINC000779710672 585759369 /nfs/dbraw/zinc/75/93/69/585759369.db2.gz AUESVJYOEZCZTM-HJWRWDBZSA-N 0 0 239.265 3.650 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000779710861 585759464 /nfs/dbraw/zinc/75/94/64/585759464.db2.gz FUKUPRXNWVOSDH-KHPPLWFESA-N 0 0 245.322 3.574 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000779710862 585759482 /nfs/dbraw/zinc/75/94/82/585759482.db2.gz FUKUPRXNWVOSDH-ZHACJKMWSA-N 0 0 245.322 3.574 20 0 BHADRN O=C(Oc1ccc(Cl)c(Cl)c1)C1=CCC1 ZINC000779711205 585759438 /nfs/dbraw/zinc/75/94/38/585759438.db2.gz KQQVJRLGBJQFPE-UHFFFAOYSA-N 0 0 243.089 3.619 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1c(F)cccc1F ZINC000779711617 585759559 /nfs/dbraw/zinc/75/95/59/585759559.db2.gz RXCFZMUOBAPZLX-CMDGGOBGSA-N 0 0 239.265 3.650 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1c(F)cccc1F ZINC000779711618 585759552 /nfs/dbraw/zinc/75/95/52/585759552.db2.gz RXCFZMUOBAPZLX-HJWRWDBZSA-N 0 0 239.265 3.650 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(F)cc1F ZINC000779712632 585759432 /nfs/dbraw/zinc/75/94/32/585759432.db2.gz DIMKSDYQZUQQRI-CMDGGOBGSA-N 0 0 239.265 3.650 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(F)cc1F ZINC000779712633 585759454 /nfs/dbraw/zinc/75/94/54/585759454.db2.gz DIMKSDYQZUQQRI-HJWRWDBZSA-N 0 0 239.265 3.650 20 0 BHADRN CC/C(C)=C(/C)C(=O)OCc1ccccc1F ZINC000779712694 585759509 /nfs/dbraw/zinc/75/95/09/585759509.db2.gz FJBZPAWJOALPHL-KHPPLWFESA-N 0 0 236.286 3.615 20 0 BHADRN CC/C(C)=C(\C)C(=O)OCc1ccccc1F ZINC000779712695 585759548 /nfs/dbraw/zinc/75/95/48/585759548.db2.gz FJBZPAWJOALPHL-ZHACJKMWSA-N 0 0 236.286 3.615 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cc(F)ccc1F ZINC000779713630 585759441 /nfs/dbraw/zinc/75/94/41/585759441.db2.gz QLVPCLIEKQUBPN-CMDGGOBGSA-N 0 0 239.265 3.650 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cc(F)ccc1F ZINC000779713632 585759557 /nfs/dbraw/zinc/75/95/57/585759557.db2.gz QLVPCLIEKQUBPN-HJWRWDBZSA-N 0 0 239.265 3.650 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)OCc1ccccc1F ZINC000779713858 585759494 /nfs/dbraw/zinc/75/94/94/585759494.db2.gz UAFITKXGUPWEJT-GHMZBOCLSA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)OCc1ccccc1F ZINC000779713859 585759443 /nfs/dbraw/zinc/75/94/43/585759443.db2.gz UAFITKXGUPWEJT-MNOVXSKESA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OCc1ccccc1F ZINC000779713860 585759161 /nfs/dbraw/zinc/75/91/61/585759161.db2.gz UAFITKXGUPWEJT-QWRGUYRKSA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OCc1ccccc1F ZINC000779713861 585759128 /nfs/dbraw/zinc/75/91/28/585759128.db2.gz UAFITKXGUPWEJT-WDEREUQCSA-N 0 0 238.302 3.551 20 0 BHADRN CC(C)(C)c1ccc(OC(=O)C2=CCC2)cc1 ZINC000779714079 585759446 /nfs/dbraw/zinc/75/94/46/585759446.db2.gz XFAGXADCYGWQOW-UHFFFAOYSA-N 0 0 230.307 3.610 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1CCCCCCC1 ZINC000779714228 585759468 /nfs/dbraw/zinc/75/94/68/585759468.db2.gz CEHIOHRPERKWGN-OUKQBFOZSA-N 0 0 237.387 3.962 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1CCCCCCC1 ZINC000779714229 585759490 /nfs/dbraw/zinc/75/94/90/585759490.db2.gz CEHIOHRPERKWGN-SEYXRHQNSA-N 0 0 237.387 3.962 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(F)cc1 ZINC000779714730 585759138 /nfs/dbraw/zinc/75/91/38/585759138.db2.gz GVDHGQPALGJABS-GHMZBOCLSA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(F)cc1 ZINC000779714731 585759108 /nfs/dbraw/zinc/75/91/08/585759108.db2.gz GVDHGQPALGJABS-MNOVXSKESA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OCc1ccc(F)cc1 ZINC000779714732 585759362 /nfs/dbraw/zinc/75/93/62/585759362.db2.gz GVDHGQPALGJABS-QWRGUYRKSA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(F)cc1 ZINC000779714733 585759335 /nfs/dbraw/zinc/75/93/35/585759335.db2.gz GVDHGQPALGJABS-WDEREUQCSA-N 0 0 238.302 3.551 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(C)cc1F ZINC000779714863 585759538 /nfs/dbraw/zinc/75/95/38/585759538.db2.gz DPAGZRUUVITQMF-KHPPLWFESA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(C)cc1F ZINC000779714864 585759474 /nfs/dbraw/zinc/75/94/74/585759474.db2.gz DPAGZRUUVITQMF-ZHACJKMWSA-N 0 0 235.302 3.819 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000779715059 585759473 /nfs/dbraw/zinc/75/94/73/585759473.db2.gz JDCASJLNVWOWHL-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NC1CCCCCCC1 ZINC000779715060 585759280 /nfs/dbraw/zinc/75/92/80/585759280.db2.gz JDCASJLNVWOWHL-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000779715061 585759316 /nfs/dbraw/zinc/75/93/16/585759316.db2.gz JDCASJLNVWOWHL-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NC1CCCCCCC1 ZINC000779715062 585759298 /nfs/dbraw/zinc/75/92/98/585759298.db2.gz JDCASJLNVWOWHL-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CC/C(C)=C(/C)C(=O)OCc1ccc(F)cc1 ZINC000779715156 585759560 /nfs/dbraw/zinc/75/95/60/585759560.db2.gz LCYSQVJRVLRCRE-KHPPLWFESA-N 0 0 236.286 3.615 20 0 BHADRN CC/C(C)=C(\C)C(=O)OCc1ccc(F)cc1 ZINC000779715157 585759481 /nfs/dbraw/zinc/75/94/81/585759481.db2.gz LCYSQVJRVLRCRE-ZHACJKMWSA-N 0 0 236.286 3.615 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc(CC)c1 ZINC000779715331 585759517 /nfs/dbraw/zinc/75/95/17/585759517.db2.gz LFNLAKGUZHQJER-QXMHVHEDSA-N 0 0 231.339 3.934 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc(CC)c1 ZINC000779715332 585759439 /nfs/dbraw/zinc/75/94/39/585759439.db2.gz LFNLAKGUZHQJER-VAWYXSNFSA-N 0 0 231.339 3.934 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H](C)[C@H](C)CC ZINC000779715622 585759591 /nfs/dbraw/zinc/75/95/91/585759591.db2.gz MAQFVYSPJNVCJJ-AGIUHOORSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H](C)[C@@H](C)CC ZINC000779715623 585759523 /nfs/dbraw/zinc/75/95/23/585759523.db2.gz MAQFVYSPJNVCJJ-AVGNSLFASA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H](C)[C@H](C)CC ZINC000779715625 585759565 /nfs/dbraw/zinc/75/95/65/585759565.db2.gz MAQFVYSPJNVCJJ-FRRDWIJNSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H](C)[C@@H](C)CC ZINC000779715626 585759570 /nfs/dbraw/zinc/75/95/70/585759570.db2.gz MAQFVYSPJNVCJJ-RWMBFGLXSA-N 0 0 227.392 3.754 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(C)c(F)c1 ZINC000779715734 585759455 /nfs/dbraw/zinc/75/94/55/585759455.db2.gz OHTZPFLXIRRNMV-LUAWRHEFSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(C)c(F)c1 ZINC000779715736 585759478 /nfs/dbraw/zinc/75/94/78/585759478.db2.gz OHTZPFLXIRRNMV-PKNBQFBNSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCCC1=CCCCC1 ZINC000779715784 585759540 /nfs/dbraw/zinc/75/95/40/585759540.db2.gz PRMRSYZKECZQMF-OUKQBFOZSA-N 0 0 235.371 3.740 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCCC1=CCCCC1 ZINC000779715785 585759515 /nfs/dbraw/zinc/75/95/15/585759515.db2.gz PRMRSYZKECZQMF-SEYXRHQNSA-N 0 0 235.371 3.740 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H](C)CCC(C)C ZINC000779715884 585759784 /nfs/dbraw/zinc/75/97/84/585759784.db2.gz QMHJVKOBEGLXNI-KLDSGFLGSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H](C)CCC(C)C ZINC000779715885 585759630 /nfs/dbraw/zinc/75/96/30/585759630.db2.gz QMHJVKOBEGLXNI-NPRUJURCSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H](C)CCC(C)C ZINC000779715886 585759752 /nfs/dbraw/zinc/75/97/52/585759752.db2.gz QMHJVKOBEGLXNI-OWRWYXLESA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H](C)CCC(C)C ZINC000779715887 585759764 /nfs/dbraw/zinc/75/97/64/585759764.db2.gz QMHJVKOBEGLXNI-RVROTUBLSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(CC)Cc1ccccc1 ZINC000779715944 585759777 /nfs/dbraw/zinc/75/97/77/585759777.db2.gz RYIRMBPTLRLBKX-BUHFOSPRSA-N 0 0 245.366 3.782 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(CC)Cc1ccccc1 ZINC000779715945 585759727 /nfs/dbraw/zinc/75/97/27/585759727.db2.gz RYIRMBPTLRLBKX-YPKPFQOOSA-N 0 0 245.366 3.782 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1CCCCCC1 ZINC000779716196 585759732 /nfs/dbraw/zinc/75/97/32/585759732.db2.gz VECPJDZKPBCLHK-QXMHVHEDSA-N 0 0 223.360 3.572 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1CCCCCC1 ZINC000779716197 585759762 /nfs/dbraw/zinc/75/97/62/585759762.db2.gz VECPJDZKPBCLHK-VAWYXSNFSA-N 0 0 223.360 3.572 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cc(C)cc(C)c1 ZINC000779716209 585759614 /nfs/dbraw/zinc/75/96/14/585759614.db2.gz VGLMAYKQZYMXOZ-OUKQBFOZSA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cc(C)cc(C)c1 ZINC000779716210 585759753 /nfs/dbraw/zinc/75/97/53/585759753.db2.gz VGLMAYKQZYMXOZ-SEYXRHQNSA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(CC)cc1 ZINC000779716221 585759615 /nfs/dbraw/zinc/75/96/15/585759615.db2.gz VOBDTKITECODEI-QXMHVHEDSA-N 0 0 231.339 3.934 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(CC)cc1 ZINC000779716222 585759621 /nfs/dbraw/zinc/75/96/21/585759621.db2.gz VOBDTKITECODEI-VAWYXSNFSA-N 0 0 231.339 3.934 20 0 BHADRN O=C(Oc1cccc(Cl)c1Cl)C1=CCC1 ZINC000779716225 585759634 /nfs/dbraw/zinc/75/96/34/585759634.db2.gz VVNKHWVPQUNARM-UHFFFAOYSA-N 0 0 243.089 3.619 20 0 BHADRN CCCCC[C@H](C)NC(=O)/C(C)=C(/C)CC ZINC000779716478 585759648 /nfs/dbraw/zinc/75/96/48/585759648.db2.gz XWJKCIXYSHFHIU-KLDSGFLGSA-N 0 0 225.376 3.818 20 0 BHADRN CCCCC[C@@H](C)NC(=O)/C(C)=C(/C)CC ZINC000779716479 585759778 /nfs/dbraw/zinc/75/97/78/585759778.db2.gz XWJKCIXYSHFHIU-NPRUJURCSA-N 0 0 225.376 3.818 20 0 BHADRN CCCCC[C@H](C)NC(=O)/C(C)=C(\C)CC ZINC000779716480 585759667 /nfs/dbraw/zinc/75/96/67/585759667.db2.gz XWJKCIXYSHFHIU-OWRWYXLESA-N 0 0 225.376 3.818 20 0 BHADRN CCCCC[C@@H](C)NC(=O)/C(C)=C(\C)CC ZINC000779716481 585759713 /nfs/dbraw/zinc/75/97/13/585759713.db2.gz XWJKCIXYSHFHIU-RVROTUBLSA-N 0 0 225.376 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cc(F)ccc1C ZINC000779716484 585759610 /nfs/dbraw/zinc/75/96/10/585759610.db2.gz YATXEMQNBCSVSR-LUAWRHEFSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cc(F)ccc1C ZINC000779716485 585759770 /nfs/dbraw/zinc/75/97/70/585759770.db2.gz YATXEMQNBCSVSR-PKNBQFBNSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cc(C)ccc1OC ZINC000779716511 585759702 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CTURQUOOJQLCNQ-JLHYYAGUSA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1c(C)cccc1C ZINC000779718365 585759658 /nfs/dbraw/zinc/75/96/58/585759658.db2.gz CTURQUOOJQLCNQ-RAXLEYEMSA-N 0 0 231.339 3.988 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cc(C)ccc1F ZINC000779719012 585759664 /nfs/dbraw/zinc/75/96/64/585759664.db2.gz IPOFNYLTSIYIHH-KHPPLWFESA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cc(C)ccc1F ZINC000779719013 585759633 /nfs/dbraw/zinc/75/96/33/585759633.db2.gz IPOFNYLTSIYIHH-ZHACJKMWSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccccc1C(C)=O ZINC000779719512 585759605 /nfs/dbraw/zinc/75/96/05/585759605.db2.gz WPTKIJBOZBCILF-KHPPLWFESA-N 0 0 245.322 3.574 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccccc1C(C)=O ZINC000779719513 585759619 /nfs/dbraw/zinc/75/96/19/585759619.db2.gz WPTKIJBOZBCILF-ZHACJKMWSA-N 0 0 245.322 3.574 20 0 BHADRN O=C(Oc1cc(Cl)ccc1Cl)C1=CCC1 ZINC000779719896 585759606 /nfs/dbraw/zinc/75/96/06/585759606.db2.gz ZPJOMKPRZZQDOQ-UHFFFAOYSA-N 0 0 243.089 3.619 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585759894 /nfs/dbraw/zinc/75/98/94/585759894.db2.gz ABGJFCJAIDZTKR-VAWYXSNFSA-N 0 0 231.339 3.934 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000779727064 585759934 /nfs/dbraw/zinc/75/99/34/585759934.db2.gz ZSKNTHQELCUVGA-QXMHVHEDSA-N 0 0 243.350 3.860 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000779727066 585759798 /nfs/dbraw/zinc/75/97/98/585759798.db2.gz ZSKNTHQELCUVGA-VAWYXSNFSA-N 0 0 243.350 3.860 20 0 BHADRN CC(C)(C)c1cccc(OC(=O)C2=CCC2)c1 ZINC000779728088 585759950 /nfs/dbraw/zinc/75/99/50/585759950.db2.gz QGDSPNCDHCYBFZ-UHFFFAOYSA-N 0 0 230.307 3.610 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(F)cc1C ZINC000779733129 631217363 /nfs/dbraw/zinc/21/73/63/631217363.db2.gz PVOUTMKFRTWMJY-LUAWRHEFSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(F)cc1C ZINC000779733145 631218278 /nfs/dbraw/zinc/21/82/78/631218278.db2.gz PVOUTMKFRTWMJY-PKNBQFBNSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)Oc1ccc(C)cc1OC ZINC000779733284 582683160 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/nfs/dbraw/zinc/71/81/39/644718139.db2.gz LWJLOPCMQGBRQQ-AQZADRIDSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000779805255 644717166 /nfs/dbraw/zinc/71/71/66/644717166.db2.gz LWJLOPCMQGBRQQ-CLLPVZCOSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000779805256 644716588 /nfs/dbraw/zinc/71/65/88/644716588.db2.gz LWJLOPCMQGBRQQ-JPXBLGQGSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000779805257 644717680 /nfs/dbraw/zinc/71/76/80/644717680.db2.gz LWJLOPCMQGBRQQ-ZSPDEYSBSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(CCC(C)C)C1CC1 ZINC000779805957 644717568 /nfs/dbraw/zinc/71/75/68/644717568.db2.gz WRKIQWIBDPZEIK-OUKQBFOZSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(CCC(C)C)C1CC1 ZINC000779805958 644718646 /nfs/dbraw/zinc/71/86/46/644718646.db2.gz WRKIQWIBDPZEIK-SEYXRHQNSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000779806158 585765078 /nfs/dbraw/zinc/76/50/78/585765078.db2.gz FHXCFAZJKFREDL-DINCDJDBSA-N 0 0 245.366 3.919 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000779806159 585765274 /nfs/dbraw/zinc/76/52/74/585765274.db2.gz FHXCFAZJKFREDL-FNDVETGQSA-N 0 0 245.366 3.919 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000779806160 585765122 /nfs/dbraw/zinc/76/51/22/585765122.db2.gz FHXCFAZJKFREDL-WUFNSSIPSA-N 0 0 245.366 3.919 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000779806161 585765169 /nfs/dbraw/zinc/76/51/69/585765169.db2.gz FHXCFAZJKFREDL-XTZCOPOCSA-N 0 0 245.366 3.919 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCc1ccc(C)cc1C ZINC000779806885 585765305 /nfs/dbraw/zinc/76/53/05/585765305.db2.gz JBEHFAUJKXDISS-OWBHPGMISA-N 0 0 245.366 3.666 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCc1ccc(C)cc1C ZINC000779806886 585765195 /nfs/dbraw/zinc/76/51/95/585765195.db2.gz JBEHFAUJKXDISS-WYMLVPIESA-N 0 0 245.366 3.666 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000779807493 585765113 /nfs/dbraw/zinc/76/51/13/585765113.db2.gz ZFSWGNKEMAGWHJ-ACOKQAKJSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1[C@H](C)CCC[C@@H]1C ZINC000779807494 585765141 /nfs/dbraw/zinc/76/51/41/585765141.db2.gz ZFSWGNKEMAGWHJ-AOOXGFMZSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1[C@H](C)CCC[C@@H]1C ZINC000779807496 585765400 /nfs/dbraw/zinc/76/54/00/585765400.db2.gz ZFSWGNKEMAGWHJ-DHSKHKFLSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000779807498 585765456 /nfs/dbraw/zinc/76/54/56/585765456.db2.gz ZFSWGNKEMAGWHJ-NQJDNNLISA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(Cc1ccco1)C(C)C ZINC000779807643 585765210 /nfs/dbraw/zinc/76/52/10/585765210.db2.gz HKVNCTSIYLJYJA-OUKQBFOZSA-N 0 0 249.354 3.763 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(Cc1ccco1)C(C)C ZINC000779807644 585765201 /nfs/dbraw/zinc/76/52/01/585765201.db2.gz HKVNCTSIYLJYJA-SEYXRHQNSA-N 0 0 249.354 3.763 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000779809066 582737912 /nfs/dbraw/zinc/73/79/12/582737912.db2.gz DYKQYFBGLLGUAB-CNOQWUKRSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000779809067 582737981 /nfs/dbraw/zinc/73/79/81/582737981.db2.gz DYKQYFBGLLGUAB-PGINTNAJSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000779809068 582737638 /nfs/dbraw/zinc/73/76/38/582737638.db2.gz DYKQYFBGLLGUAB-RYSDUCMLSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000779809069 582737910 /nfs/dbraw/zinc/73/79/10/582737910.db2.gz DYKQYFBGLLGUAB-WWQJRWGTSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)Cc1cccc(C)c1 ZINC000779809345 585765727 /nfs/dbraw/zinc/76/57/27/585765727.db2.gz JATPXVVJISCIQR-BUHFOSPRSA-N 0 0 245.366 3.700 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)Cc1cccc(C)c1 ZINC000779809346 585765617 /nfs/dbraw/zinc/76/56/17/585765617.db2.gz JATPXVVJISCIQR-YPKPFQOOSA-N 0 0 245.366 3.700 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)[C@H](C)c1ccco1 ZINC000779809741 585766070 /nfs/dbraw/zinc/76/60/70/585766070.db2.gz TYJONBUCLUDMSK-HCRIHEDKSA-N 0 0 235.327 3.545 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)[C@@H](C)c1ccco1 ZINC000779809746 585765710 /nfs/dbraw/zinc/76/57/10/585765710.db2.gz TYJONBUCLUDMSK-IIANPFDCSA-N 0 0 235.327 3.545 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)[C@H](C)c1ccco1 ZINC000779809747 585765991 /nfs/dbraw/zinc/76/59/91/585765991.db2.gz TYJONBUCLUDMSK-NLYDNYMLSA-N 0 0 235.327 3.545 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)[C@@H](C)c1ccco1 ZINC000779809748 711558100 /nfs/dbraw/zinc/55/81/00/711558100.db2.gz TYJONBUCLUDMSK-WEHUKYGOSA-N 0 0 235.327 3.545 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(CC)C1CCCC1 ZINC000779815568 631572871 /nfs/dbraw/zinc/57/28/71/631572871.db2.gz BZHXGSBUWGLMDN-QXMHVHEDSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(CC)C1CCCC1 ZINC000779815569 631573386 /nfs/dbraw/zinc/57/33/86/631573386.db2.gz BZHXGSBUWGLMDN-VAWYXSNFSA-N 0 0 223.360 3.524 20 0 BHADRN Cc1cccc(OC[C@H]2CC2(Cl)Cl)c1F ZINC000779818578 585767088 /nfs/dbraw/zinc/76/70/88/585767088.db2.gz SFDDLNVQNRRDDM-MRVPVSSYSA-N 0 0 249.112 3.707 20 0 BHADRN Cc1ccnc(Cl)c1O[C@H]1C=CCCC1 ZINC000779818579 585767096 /nfs/dbraw/zinc/76/70/96/585767096.db2.gz LDDOMJADMXRMBO-JTQLQIEISA-N 0 0 223.703 3.531 20 0 BHADRN Cc1ccnc(Cl)c1O[C@@H]1C=CCCC1 ZINC000779818580 585767213 /nfs/dbraw/zinc/76/72/13/585767213.db2.gz LDDOMJADMXRMBO-SNVBAGLBSA-N 0 0 223.703 3.531 20 0 BHADRN Cc1cccc(OC[C@@H]2CC2(Cl)Cl)c1F ZINC000779818584 585767257 /nfs/dbraw/zinc/76/72/57/585767257.db2.gz SFDDLNVQNRRDDM-QMMMGPOBSA-N 0 0 249.112 3.707 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc(COC)c1 ZINC000779827666 585767831 /nfs/dbraw/zinc/76/78/31/585767831.db2.gz FGXNLSUIZXRUHG-QXMHVHEDSA-N 0 0 247.338 3.518 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc(COC)c1 ZINC000779827669 585767796 /nfs/dbraw/zinc/76/77/96/585767796.db2.gz FGXNLSUIZXRUHG-VAWYXSNFSA-N 0 0 247.338 3.518 20 0 BHADRN FCc1ccc(CS[C@@H]2CCCOC2)cc1 ZINC000779831090 585768143 /nfs/dbraw/zinc/76/81/43/585768143.db2.gz XYWYIJTWDPATMZ-CYBMUJFWSA-N 0 0 240.343 3.568 20 0 BHADRN FCc1ccc(CS[C@H]2CCCOC2)cc1 ZINC000779831091 585767982 /nfs/dbraw/zinc/76/79/82/585767982.db2.gz XYWYIJTWDPATMZ-ZDUSSCGKSA-N 0 0 240.343 3.568 20 0 BHADRN CC/C(C)=C(\C)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000779831983 585767943 /nfs/dbraw/zinc/76/79/43/585767943.db2.gz JTKPVLILBJEKCL-HCRIHEDKSA-N 0 0 235.371 3.522 20 0 BHADRN CC/C(C)=C(\C)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000779831984 585768105 /nfs/dbraw/zinc/76/81/05/585768105.db2.gz JTKPVLILBJEKCL-IIANPFDCSA-N 0 0 235.371 3.522 20 0 BHADRN CC/C(C)=C(/C)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000779831985 585768005 /nfs/dbraw/zinc/76/80/05/585768005.db2.gz JTKPVLILBJEKCL-NLYDNYMLSA-N 0 0 235.371 3.522 20 0 BHADRN CC/C(C)=C(/C)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000779831986 585767944 /nfs/dbraw/zinc/76/79/44/585767944.db2.gz JTKPVLILBJEKCL-WEHUKYGOSA-N 0 0 235.371 3.522 20 0 BHADRN CCCCN(C(=O)/C(C)=C(/C)CC)C1CC1 ZINC000779832328 585767988 /nfs/dbraw/zinc/76/79/88/585767988.db2.gz LWWLRRLPFLGNIT-QXMHVHEDSA-N 0 0 223.360 3.524 20 0 BHADRN CCCCN(C(=O)/C(C)=C(\C)CC)C1CC1 ZINC000779832329 585768006 /nfs/dbraw/zinc/76/80/06/585768006.db2.gz LWWLRRLPFLGNIT-VAWYXSNFSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCCC1CCCCC1 ZINC000779832432 585768128 /nfs/dbraw/zinc/76/81/28/585768128.db2.gz RKWMLOVFGWHUIW-OUKQBFOZSA-N 0 0 237.387 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCCC1CCCCC1 ZINC000779832433 585768087 /nfs/dbraw/zinc/76/80/87/585768087.db2.gz RKWMLOVFGWHUIW-SEYXRHQNSA-N 0 0 237.387 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000779833232 585768018 /nfs/dbraw/zinc/76/80/18/585768018.db2.gz ZIZZSEOLVJZKBZ-HHQWOOOKSA-N 0 0 237.387 3.768 20 0 BHADRN CC/C(C)=C(\C)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000779833234 585768119 /nfs/dbraw/zinc/76/81/19/585768119.db2.gz ZIZZSEOLVJZKBZ-XZHRJIJLSA-N 0 0 237.387 3.768 20 0 BHADRN CC/C(C)=C(/C)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000779833236 585768000 /nfs/dbraw/zinc/76/80/00/585768000.db2.gz ZIZZSEOLVJZKBZ-YLGBQOPLSA-N 0 0 237.387 3.768 20 0 BHADRN CC/C(C)=C(\C)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000779833239 585767948 /nfs/dbraw/zinc/76/79/48/585767948.db2.gz ZIZZSEOLVJZKBZ-YLSINNKHSA-N 0 0 237.387 3.768 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(CC(C)C)C(C)C ZINC000779833302 585768092 /nfs/dbraw/zinc/76/80/92/585768092.db2.gz WDIWMSBPKAEQLV-OUKQBFOZSA-N 0 0 225.376 3.626 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(CC(C)C)C(C)C ZINC000779833303 585768063 /nfs/dbraw/zinc/76/80/63/585768063.db2.gz WDIWMSBPKAEQLV-SEYXRHQNSA-N 0 0 225.376 3.626 20 0 BHADRN CCCN(CC(C)C)C(=O)/C(C)=C(\C)CC ZINC000779834210 585768192 /nfs/dbraw/zinc/76/81/92/585768192.db2.gz PQEFNRFEVKMCHZ-OUKQBFOZSA-N 0 0 225.376 3.627 20 0 BHADRN CCCN(CC(C)C)C(=O)/C(C)=C(/C)CC ZINC000779834211 585768339 /nfs/dbraw/zinc/76/83/39/585768339.db2.gz PQEFNRFEVKMCHZ-SEYXRHQNSA-N 0 0 225.376 3.627 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000779838424 585768435 /nfs/dbraw/zinc/76/84/35/585768435.db2.gz BMIJVYZPZNQFDJ-BFPJXGRPSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000779838426 585768541 /nfs/dbraw/zinc/76/85/41/585768541.db2.gz BMIJVYZPZNQFDJ-CYUAOAIUSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000779838428 585768366 /nfs/dbraw/zinc/76/83/66/585768366.db2.gz BMIJVYZPZNQFDJ-MRUDHYOASA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000779838430 585768474 /nfs/dbraw/zinc/76/84/74/585768474.db2.gz BMIJVYZPZNQFDJ-QDLRVKAISA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C(CC)CC)C1CC1 ZINC000779841282 585768580 /nfs/dbraw/zinc/76/85/80/585768580.db2.gz CRIFVGCIYOCQES-QXMHVHEDSA-N 0 0 237.387 3.912 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C(CC)CC)C1CC1 ZINC000779841283 585768646 /nfs/dbraw/zinc/76/86/46/585768646.db2.gz CRIFVGCIYOCQES-VAWYXSNFSA-N 0 0 237.387 3.912 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccccc1COC ZINC000779845147 585768946 /nfs/dbraw/zinc/76/89/46/585768946.db2.gz MLOXOTAQLPWUCW-QXMHVHEDSA-N 0 0 247.338 3.518 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccccc1COC ZINC000779845149 585768836 /nfs/dbraw/zinc/76/88/36/585768836.db2.gz MLOXOTAQLPWUCW-VAWYXSNFSA-N 0 0 247.338 3.518 20 0 BHADRN O=C(C1=CCC1)N1CCC(C2CCCCC2)CC1 ZINC000779851208 585768903 /nfs/dbraw/zinc/76/89/03/585768903.db2.gz QJEROOHHCMQDJT-UHFFFAOYSA-N 0 0 247.382 3.526 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(C)cc1OC ZINC000779854694 585769038 /nfs/dbraw/zinc/76/90/38/585769038.db2.gz FXZSLIFIUDWKNC-QXMHVHEDSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(C)cc1OC ZINC000779854695 585768978 /nfs/dbraw/zinc/76/89/78/585768978.db2.gz FXZSLIFIUDWKNC-VAWYXSNFSA-N 0 0 247.338 3.689 20 0 BHADRN CCOc1cccc(NC(=O)/C(C)=C(/C)CC)c1 ZINC000779855322 585769000 /nfs/dbraw/zinc/76/90/00/585769000.db2.gz ITLXAFXPXYPALQ-QXMHVHEDSA-N 0 0 247.338 3.770 20 0 BHADRN CCOc1cccc(NC(=O)/C(C)=C(\C)CC)c1 ZINC000779855324 585768914 /nfs/dbraw/zinc/76/89/14/585768914.db2.gz ITLXAFXPXYPALQ-VAWYXSNFSA-N 0 0 247.338 3.770 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000779856974 585769085 /nfs/dbraw/zinc/76/90/85/585769085.db2.gz RMWXLFGOKOTIOI-BXUZGUMPSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000779856982 585769185 /nfs/dbraw/zinc/76/91/85/585769185.db2.gz RMWXLFGOKOTIOI-FZMZJTMJSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000779856984 585769207 /nfs/dbraw/zinc/76/92/07/585769207.db2.gz RMWXLFGOKOTIOI-RISCZKNCSA-N 0 0 247.382 3.948 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000779856985 585768958 /nfs/dbraw/zinc/76/89/58/585768958.db2.gz RMWXLFGOKOTIOI-SMDDNHRTSA-N 0 0 247.382 3.948 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)c1ccc(F)cc1 ZINC000779857777 585769116 /nfs/dbraw/zinc/76/91/16/585769116.db2.gz YTYHJPJJTAFORM-KHPPLWFESA-N 0 0 235.302 3.535 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)c1ccc(F)cc1 ZINC000779857778 585769106 /nfs/dbraw/zinc/76/91/06/585769106.db2.gz YTYHJPJJTAFORM-ZHACJKMWSA-N 0 0 235.302 3.535 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1(C)CCCCC1 ZINC000779859624 585769078 /nfs/dbraw/zinc/76/90/78/585769078.db2.gz VXYZMBLHGLSVCQ-QXMHVHEDSA-N 0 0 223.360 3.572 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1(C)CCCCC1 ZINC000779859625 585769267 /nfs/dbraw/zinc/76/92/67/585769267.db2.gz VXYZMBLHGLSVCQ-VAWYXSNFSA-N 0 0 223.360 3.572 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000779861183 585769165 /nfs/dbraw/zinc/76/91/65/585769165.db2.gz PRYAFMUGDKOFQP-CNOQWUKRSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000779861184 585769060 /nfs/dbraw/zinc/76/90/60/585769060.db2.gz PRYAFMUGDKOFQP-PGINTNAJSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000779861185 585769213 /nfs/dbraw/zinc/76/92/13/585769213.db2.gz PRYAFMUGDKOFQP-RYSDUCMLSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000779861186 585769072 /nfs/dbraw/zinc/76/90/72/585769072.db2.gz PRYAFMUGDKOFQP-WWQJRWGTSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCC1CCC(C)CC1 ZINC000779861357 585769082 /nfs/dbraw/zinc/76/90/82/585769082.db2.gz SKURWPXZLKFLLV-OUKQBFOZSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCC1CCC(C)CC1 ZINC000779861358 585769130 /nfs/dbraw/zinc/76/91/30/585769130.db2.gz SKURWPXZLKFLLV-SEYXRHQNSA-N 0 0 237.387 3.675 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C1=CCC1 ZINC000779869797 585769324 /nfs/dbraw/zinc/76/93/24/585769324.db2.gz MEESZQDJFCNNQF-KBPBESRZSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C1=CCC1 ZINC000779869798 585769321 /nfs/dbraw/zinc/76/93/21/585769321.db2.gz MEESZQDJFCNNQF-KGLIPLIRSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C1=CCC1 ZINC000779869799 585769320 /nfs/dbraw/zinc/76/93/20/585769320.db2.gz MEESZQDJFCNNQF-UONOGXRCSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C1=CCC1 ZINC000779869800 585769411 /nfs/dbraw/zinc/76/94/11/585769411.db2.gz MEESZQDJFCNNQF-ZIAGYGMSSA-N 0 0 249.398 3.675 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000779870287 585769328 /nfs/dbraw/zinc/76/93/28/585769328.db2.gz QZZBLMMPESFYQM-HLXCCUCLSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000779870288 585769327 /nfs/dbraw/zinc/76/93/27/585769327.db2.gz QZZBLMMPESFYQM-RVJXONLDSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000779870289 585769365 /nfs/dbraw/zinc/76/93/65/585769365.db2.gz QZZBLMMPESFYQM-VAZJTNHSSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000779870290 585769330 /nfs/dbraw/zinc/76/93/30/585769330.db2.gz QZZBLMMPESFYQM-YNQFSJHESA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC(C)(C)c1ccccc1 ZINC000779876961 585769317 /nfs/dbraw/zinc/76/93/17/585769317.db2.gz IMBUVRLSOQBJPV-OUKQBFOZSA-N 0 0 245.366 3.784 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC(C)(C)c1ccccc1 ZINC000779876962 585769390 /nfs/dbraw/zinc/76/93/90/585769390.db2.gz IMBUVRLSOQBJPV-SEYXRHQNSA-N 0 0 245.366 3.784 20 0 BHADRN CC/C(C)=C(\C)C(=O)Oc1cc(F)cc(F)c1 ZINC000779890054 585769600 /nfs/dbraw/zinc/76/96/00/585769600.db2.gz HCUHSLSYEUOIGQ-CMDGGOBGSA-N 0 0 240.249 3.617 20 0 BHADRN CC/C(C)=C(/C)C(=O)Oc1cc(F)cc(F)c1 ZINC000779890063 585769429 /nfs/dbraw/zinc/76/94/29/585769429.db2.gz HCUHSLSYEUOIGQ-HJWRWDBZSA-N 0 0 240.249 3.617 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000779890304 585769448 /nfs/dbraw/zinc/76/94/48/585769448.db2.gz KFKBTSJIWKTENP-BDAKNGLRSA-N 0 0 242.265 3.552 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000779890305 585769449 /nfs/dbraw/zinc/76/94/49/585769449.db2.gz KFKBTSJIWKTENP-DTWKUNHWSA-N 0 0 242.265 3.552 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000779890306 585769591 /nfs/dbraw/zinc/76/95/91/585769591.db2.gz KFKBTSJIWKTENP-IUCAKERBSA-N 0 0 242.265 3.552 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000779890307 585769650 /nfs/dbraw/zinc/76/96/50/585769650.db2.gz KFKBTSJIWKTENP-RKDXNWHRSA-N 0 0 242.265 3.552 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)c1ccccc1F ZINC000779890461 585769657 /nfs/dbraw/zinc/76/96/57/585769657.db2.gz LIFQBRXWQHYMED-KHPPLWFESA-N 0 0 235.302 3.535 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)c1ccccc1F ZINC000779890462 585769683 /nfs/dbraw/zinc/76/96/83/585769683.db2.gz LIFQBRXWQHYMED-ZHACJKMWSA-N 0 0 235.302 3.535 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1(C)CCC(C)CC1 ZINC000779891188 585769519 /nfs/dbraw/zinc/76/95/19/585769519.db2.gz VWEZFOCSNIGWKX-OUKQBFOZSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1(C)CCC(C)CC1 ZINC000779891189 585769577 /nfs/dbraw/zinc/76/95/77/585769577.db2.gz VWEZFOCSNIGWKX-SEYXRHQNSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc2[nH]ccc21 ZINC000779897710 585769653 /nfs/dbraw/zinc/76/96/53/585769653.db2.gz DRYOUPOFFWFEFP-KHPPLWFESA-N 0 0 242.322 3.853 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc2[nH]ccc21 ZINC000779897714 585769592 /nfs/dbraw/zinc/76/95/92/585769592.db2.gz DRYOUPOFFWFEFP-ZHACJKMWSA-N 0 0 242.322 3.853 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1(c2ccccc2)CC1 ZINC000779902374 585769528 /nfs/dbraw/zinc/76/95/28/585769528.db2.gz RHASSOSKMHRMHN-OUKQBFOZSA-N 0 0 243.350 3.538 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1(c2ccccc2)CC1 ZINC000779902375 585769629 /nfs/dbraw/zinc/76/96/29/585769629.db2.gz RHASSOSKMHRMHN-SEYXRHQNSA-N 0 0 243.350 3.538 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(OC)cc1C ZINC000779905179 585769792 /nfs/dbraw/zinc/76/97/92/585769792.db2.gz RIJVOYMHJFUUDQ-BENRWUELSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(OC)cc1C ZINC000779905181 585769818 /nfs/dbraw/zinc/76/98/18/585769818.db2.gz RIJVOYMHJFUUDQ-ZRDIBKRKSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C(\C)C(=O)Oc1cccc(F)c1F ZINC000779911268 585769876 /nfs/dbraw/zinc/76/98/76/585769876.db2.gz WICNCQOCOJMFSB-CMDGGOBGSA-N 0 0 240.249 3.617 20 0 BHADRN CC/C(C)=C(/C)C(=O)Oc1cccc(F)c1F ZINC000779911269 585769836 /nfs/dbraw/zinc/76/98/36/585769836.db2.gz WICNCQOCOJMFSB-HJWRWDBZSA-N 0 0 240.249 3.617 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(F)c(C)c1 ZINC000779916413 585769725 /nfs/dbraw/zinc/76/97/25/585769725.db2.gz XMCZKBANAAMFMN-LUAWRHEFSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(F)c(C)c1 ZINC000779916414 585769773 /nfs/dbraw/zinc/76/97/73/585769773.db2.gz XMCZKBANAAMFMN-PKNBQFBNSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@H]1C(C)(C)C ZINC000779916691 585769719 /nfs/dbraw/zinc/76/97/19/585769719.db2.gz DHHAHTQHHVMTHU-HHQWOOOKSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000779916692 585769821 /nfs/dbraw/zinc/76/98/21/585769821.db2.gz DHHAHTQHHVMTHU-XZHRJIJLSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000779916694 585769264 /nfs/dbraw/zinc/76/92/64/585769264.db2.gz DHHAHTQHHVMTHU-YLGBQOPLSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@H]1C(C)(C)C ZINC000779916695 585769368 /nfs/dbraw/zinc/76/93/68/585769368.db2.gz DHHAHTQHHVMTHU-YLSINNKHSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CCCc2occc21 ZINC000779929946 585770136 /nfs/dbraw/zinc/77/01/36/585770136.db2.gz OZYJPWKLQTWMQR-BSYHEUMXSA-N 0 0 247.338 3.520 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H]1CCCc2occc21 ZINC000779929950 585770284 /nfs/dbraw/zinc/77/02/84/585770284.db2.gz OZYJPWKLQTWMQR-NHAQELONSA-N 0 0 247.338 3.520 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CCCc2occc21 ZINC000779929951 582751740 /nfs/dbraw/zinc/75/17/40/582751740.db2.gz OZYJPWKLQTWMQR-OCHBPSSRSA-N 0 0 247.338 3.520 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H]1CCCc2occc21 ZINC000779929953 582751447 /nfs/dbraw/zinc/75/14/47/582751447.db2.gz OZYJPWKLQTWMQR-OEYXZAGESA-N 0 0 247.338 3.520 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)NCc1c(C)cccc1C ZINC000779934201 585769919 /nfs/dbraw/zinc/76/99/19/585769919.db2.gz CLZNTLGCRARGHB-BXUZGUMPSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)NCc1c(C)cccc1C ZINC000779934209 585769957 /nfs/dbraw/zinc/76/99/57/585769957.db2.gz CLZNTLGCRARGHB-FZMZJTMJSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)NCc1c(C)cccc1C ZINC000779934211 585769981 /nfs/dbraw/zinc/76/99/81/585769981.db2.gz CLZNTLGCRARGHB-RISCZKNCSA-N 0 0 247.382 3.602 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)NCc1c(C)cccc1C ZINC000779934212 585770106 /nfs/dbraw/zinc/77/01/06/585770106.db2.gz CLZNTLGCRARGHB-SMDDNHRTSA-N 0 0 247.382 3.602 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000779936002 585770149 /nfs/dbraw/zinc/77/01/49/585770149.db2.gz CHPJOZUDFBJOLH-CZIJPUHGSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000779936005 585770206 /nfs/dbraw/zinc/77/02/06/585770206.db2.gz CHPJOZUDFBJOLH-JXHRTJGWSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000779936006 585770098 /nfs/dbraw/zinc/77/00/98/585770098.db2.gz CHPJOZUDFBJOLH-MXQFLHTASA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000779936007 585770231 /nfs/dbraw/zinc/77/02/31/585770231.db2.gz CHPJOZUDFBJOLH-SLJXYFMESA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC/C=C\c1ccccc1 ZINC000779936941 585770267 /nfs/dbraw/zinc/77/02/67/585770267.db2.gz QQWSJSVWQXAXIK-GSDNHOAWSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC/C=C\c1ccccc1 ZINC000779936943 585770292 /nfs/dbraw/zinc/77/02/92/585770292.db2.gz QQWSJSVWQXAXIK-KBABRGLLSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC/C=C/c1ccccc1 ZINC000779936944 585770519 /nfs/dbraw/zinc/77/05/19/585770519.db2.gz QQWSJSVWQXAXIK-SOAFUOFCSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC/C=C/c1ccccc1 ZINC000779936946 585770362 /nfs/dbraw/zinc/77/03/62/585770362.db2.gz QQWSJSVWQXAXIK-ZOBWXTBZSA-N 0 0 243.350 3.562 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCCCC[C@@H]1C ZINC000779939844 585770500 /nfs/dbraw/zinc/77/05/00/585770500.db2.gz MPYWJZVNJHIUNP-KLDSGFLGSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCCCC[C@H]1C ZINC000779939846 585770336 /nfs/dbraw/zinc/77/03/36/585770336.db2.gz MPYWJZVNJHIUNP-NPRUJURCSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCCCC[C@@H]1C ZINC000779939847 585770475 /nfs/dbraw/zinc/77/04/75/585770475.db2.gz MPYWJZVNJHIUNP-OWRWYXLESA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCCCC[C@H]1C ZINC000779939848 585770372 /nfs/dbraw/zinc/77/03/72/585770372.db2.gz MPYWJZVNJHIUNP-RVROTUBLSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC[C@@H](C)C(C)(C)C ZINC000779945824 585770382 /nfs/dbraw/zinc/77/03/82/585770382.db2.gz KOWBEZRVXQBGNN-JPQYHBGPSA-N 0 0 225.376 3.531 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC[C@@H](C)C(C)(C)C ZINC000779945825 585770480 /nfs/dbraw/zinc/77/04/80/585770480.db2.gz KOWBEZRVXQBGNN-KPMWUXBGSA-N 0 0 225.376 3.531 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC[C@H](C)C(C)(C)C ZINC000779945826 585770395 /nfs/dbraw/zinc/77/03/95/585770395.db2.gz KOWBEZRVXQBGNN-NIANNCQZSA-N 0 0 225.376 3.531 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC[C@H](C)C(C)(C)C ZINC000779945827 585770399 /nfs/dbraw/zinc/77/03/99/585770399.db2.gz KOWBEZRVXQBGNN-OCUQMRJBSA-N 0 0 225.376 3.531 20 0 BHADRN CCCCC[C@@H](NC(=O)C1=CCC1)C(C)(C)C ZINC000779946507 585770462 /nfs/dbraw/zinc/77/04/62/585770462.db2.gz SQHWLLRTKSZHOY-CYBMUJFWSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@H](NC(=O)C1=CCC1)C(C)(C)C ZINC000779946508 585770472 /nfs/dbraw/zinc/77/04/72/585770472.db2.gz SQHWLLRTKSZHOY-ZDUSSCGKSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000779947173 585770437 /nfs/dbraw/zinc/77/04/37/585770437.db2.gz JDNRJOJHMJEDPQ-HRGPLPCTSA-N 0 0 249.398 3.912 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000779947174 585770474 /nfs/dbraw/zinc/77/04/74/585770474.db2.gz JDNRJOJHMJEDPQ-IFYYWRJCSA-N 0 0 249.398 3.912 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000779947175 585770523 /nfs/dbraw/zinc/77/05/23/585770523.db2.gz JDNRJOJHMJEDPQ-MVYDIDFHSA-N 0 0 249.398 3.912 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000779947176 585770360 /nfs/dbraw/zinc/77/03/60/585770360.db2.gz JDNRJOJHMJEDPQ-QPSGDMNASA-N 0 0 249.398 3.912 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCCC[C@H]1C(C)C ZINC000779951242 644719694 /nfs/dbraw/zinc/71/96/94/644719694.db2.gz SBGQGCLPMBLGRF-DINCDJDBSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCCC[C@H]1C(C)C ZINC000779951247 644720036 /nfs/dbraw/zinc/72/00/36/644720036.db2.gz SBGQGCLPMBLGRF-FNDVETGQSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000779951253 644719868 /nfs/dbraw/zinc/71/98/68/644719868.db2.gz SBGQGCLPMBLGRF-WUFNSSIPSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000779951255 644719220 /nfs/dbraw/zinc/71/92/20/644719220.db2.gz SBGQGCLPMBLGRF-XTZCOPOCSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000779957511 585770580 /nfs/dbraw/zinc/77/05/80/585770580.db2.gz HIEPRZOIOMVKCZ-BFPJXGRPSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000779957512 585770687 /nfs/dbraw/zinc/77/06/87/585770687.db2.gz HIEPRZOIOMVKCZ-CYUAOAIUSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000779957513 585770688 /nfs/dbraw/zinc/77/06/88/585770688.db2.gz HIEPRZOIOMVKCZ-MRUDHYOASA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000779957514 585770660 /nfs/dbraw/zinc/77/06/60/585770660.db2.gz HIEPRZOIOMVKCZ-QDLRVKAISA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C(C)C)C1CCC1 ZINC000779957534 585770706 /nfs/dbraw/zinc/77/07/06/585770706.db2.gz HUDLEVGQMCLYHB-QXMHVHEDSA-N 0 0 223.360 3.522 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C(C)C)C1CCC1 ZINC000779957535 585770677 /nfs/dbraw/zinc/77/06/77/585770677.db2.gz HUDLEVGQMCLYHB-VAWYXSNFSA-N 0 0 223.360 3.522 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000779957828 585770715 /nfs/dbraw/zinc/77/07/15/585770715.db2.gz KFJQTXXPPSSOIL-AYHAQHTHSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1C[C@H](C)C[C@H](C)C1 ZINC000779957829 585770581 /nfs/dbraw/zinc/77/05/81/585770581.db2.gz KFJQTXXPPSSOIL-DEHDNLIZSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1C[C@H](C)C[C@H](C)C1 ZINC000779957830 585770697 /nfs/dbraw/zinc/77/06/97/585770697.db2.gz KFJQTXXPPSSOIL-QQZMHDPESA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000779957831 585770579 /nfs/dbraw/zinc/77/05/79/585770579.db2.gz KFJQTXXPPSSOIL-RPYXHXOLSA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCCCC[C@@H]1CC ZINC000779959177 585770648 /nfs/dbraw/zinc/77/06/48/585770648.db2.gz SNLTVJCFEVTABN-DINCDJDBSA-N 0 0 237.387 3.914 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCCCC[C@@H]1CC ZINC000779959180 585770632 /nfs/dbraw/zinc/77/06/32/585770632.db2.gz SNLTVJCFEVTABN-FNDVETGQSA-N 0 0 237.387 3.914 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCCCC[C@H]1CC ZINC000779959182 585770710 /nfs/dbraw/zinc/77/07/10/585770710.db2.gz SNLTVJCFEVTABN-WUFNSSIPSA-N 0 0 237.387 3.914 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCCCC[C@H]1CC ZINC000779959185 585770736 /nfs/dbraw/zinc/77/07/36/585770736.db2.gz SNLTVJCFEVTABN-XTZCOPOCSA-N 0 0 237.387 3.914 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCCC(C)(C)CC1 ZINC000779959262 585770626 /nfs/dbraw/zinc/77/06/26/585770626.db2.gz KZZCZPNYADDPDW-OUKQBFOZSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCCC(C)(C)CC1 ZINC000779959265 585770610 /nfs/dbraw/zinc/77/06/10/585770610.db2.gz KZZCZPNYADDPDW-SEYXRHQNSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCc1ccccc1CC ZINC000779959362 585770669 /nfs/dbraw/zinc/77/06/69/585770669.db2.gz UJUFYRVOCCTRQQ-OUKQBFOZSA-N 0 0 245.366 3.612 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCc1ccccc1CC ZINC000779959364 585770758 /nfs/dbraw/zinc/77/07/58/585770758.db2.gz UJUFYRVOCCTRQQ-SEYXRHQNSA-N 0 0 245.366 3.612 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC(CC)(CC)CC ZINC000779960919 585770732 /nfs/dbraw/zinc/77/07/32/585770732.db2.gz RKUREXNSVJZXIG-QXMHVHEDSA-N 0 0 225.376 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC(CC)(CC)CC ZINC000779960920 585770577 /nfs/dbraw/zinc/77/05/77/585770577.db2.gz RKUREXNSVJZXIG-VAWYXSNFSA-N 0 0 225.376 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000779961538 585770721 /nfs/dbraw/zinc/77/07/21/585770721.db2.gz VWWJYNNMABNZHG-BHNPMLMFSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000779961539 585770725 /nfs/dbraw/zinc/77/07/25/585770725.db2.gz VWWJYNNMABNZHG-CGWFSCRASA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000779961542 585770656 /nfs/dbraw/zinc/77/06/56/585770656.db2.gz VWWJYNNMABNZHG-OTPJNIKWSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000779961545 585770583 /nfs/dbraw/zinc/77/05/83/585770583.db2.gz VWWJYNNMABNZHG-XWFGAXGKSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000779961968 585770602 /nfs/dbraw/zinc/77/06/02/585770602.db2.gz CMMISNMJXCWJDO-DQZXPQRFSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H](C)C[C@H](C)CC ZINC000779961970 585770633 /nfs/dbraw/zinc/77/06/33/585770633.db2.gz CMMISNMJXCWJDO-OEJLOUNASA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000779961971 585770730 /nfs/dbraw/zinc/77/07/30/585770730.db2.gz CMMISNMJXCWJDO-SXXPLBAKSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H](C)C[C@H](C)CC ZINC000779961972 585770664 /nfs/dbraw/zinc/77/06/64/585770664.db2.gz CMMISNMJXCWJDO-WWLBYWMOSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000779962008 585770672 /nfs/dbraw/zinc/77/06/72/585770672.db2.gz YPXXQFVZYMPRNZ-AMXOMPAFSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000779962009 585770570 /nfs/dbraw/zinc/77/05/70/585770570.db2.gz YPXXQFVZYMPRNZ-IWRDHYCXSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000779962010 585770635 /nfs/dbraw/zinc/77/06/35/585770635.db2.gz YPXXQFVZYMPRNZ-KPWZGGAESA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000779962011 582757780 /nfs/dbraw/zinc/75/77/80/582757780.db2.gz YPXXQFVZYMPRNZ-XVBMAPCOSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC2(CCCC2)C1 ZINC000779963667 585770850 /nfs/dbraw/zinc/77/08/50/585770850.db2.gz CQWRPVCGOKSVHK-OUKQBFOZSA-N 0 0 235.371 3.526 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC2(CCCC2)C1 ZINC000779963668 585770941 /nfs/dbraw/zinc/77/09/41/585770941.db2.gz CQWRPVCGOKSVHK-SEYXRHQNSA-N 0 0 235.371 3.526 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000779965135 585770895 /nfs/dbraw/zinc/77/08/95/585770895.db2.gz SNQHCLNDURIJMU-HHQWOOOKSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H](C)C1CCCCC1 ZINC000779965137 644719585 /nfs/dbraw/zinc/71/95/85/644719585.db2.gz SNQHCLNDURIJMU-XZHRJIJLSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H](C)C1CCCCC1 ZINC000779965139 644719338 /nfs/dbraw/zinc/71/93/38/644719338.db2.gz SNQHCLNDURIJMU-YLGBQOPLSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000779965141 644720254 /nfs/dbraw/zinc/72/02/54/644720254.db2.gz SNQHCLNDURIJMU-YLSINNKHSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1C2CCCC1CCC2 ZINC000779965794 585770910 /nfs/dbraw/zinc/77/09/10/585770910.db2.gz AJHHCUQDKFJNCU-QXMHVHEDSA-N 0 0 235.371 3.666 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1C2CCCC1CCC2 ZINC000779965806 585770938 /nfs/dbraw/zinc/77/09/38/585770938.db2.gz AJHHCUQDKFJNCU-VAWYXSNFSA-N 0 0 235.371 3.666 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000779965894 585770822 /nfs/dbraw/zinc/77/08/22/585770822.db2.gz BALBPTOTLHYUMS-BFPJXGRPSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000779965897 585770781 /nfs/dbraw/zinc/77/07/81/585770781.db2.gz BALBPTOTLHYUMS-CYUAOAIUSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000779965900 585770937 /nfs/dbraw/zinc/77/09/37/585770937.db2.gz BALBPTOTLHYUMS-GHYUOPHCSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000779965903 585770795 /nfs/dbraw/zinc/77/07/95/585770795.db2.gz BALBPTOTLHYUMS-HFOMYUCASA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC2(C1)CCCCC2 ZINC000779966466 585770773 /nfs/dbraw/zinc/77/07/73/585770773.db2.gz FIYKTUCXLSJKDE-BUHFOSPRSA-N 0 0 249.398 3.916 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC2(C1)CCCCC2 ZINC000779966467 585770853 /nfs/dbraw/zinc/77/08/53/585770853.db2.gz FIYKTUCXLSJKDE-YPKPFQOOSA-N 0 0 249.398 3.916 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000779966482 585770959 /nfs/dbraw/zinc/77/09/59/585770959.db2.gz FTVDUXTXADGWRD-HFMUISPQSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000779966484 585770776 /nfs/dbraw/zinc/77/07/76/585770776.db2.gz FTVDUXTXADGWRD-UGIVGXONSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000779966485 585770913 /nfs/dbraw/zinc/77/09/13/585770913.db2.gz FTVDUXTXADGWRD-XMFCPKQUSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000779966486 585770778 /nfs/dbraw/zinc/77/07/78/585770778.db2.gz FTVDUXTXADGWRD-YDTMBMLHSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1CCC(C)(C)CC1 ZINC000779966670 585770882 /nfs/dbraw/zinc/77/08/82/585770882.db2.gz YMIGJQPGMNKEQK-QXMHVHEDSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1CCC(C)(C)CC1 ZINC000779966672 585770864 /nfs/dbraw/zinc/77/08/64/585770864.db2.gz YMIGJQPGMNKEQK-VAWYXSNFSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000779969079 585770953 /nfs/dbraw/zinc/77/09/53/585770953.db2.gz BXQINYMAVKCFGI-DINCDJDBSA-N 0 0 237.387 3.627 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000779969080 585770777 /nfs/dbraw/zinc/77/07/77/585770777.db2.gz BXQINYMAVKCFGI-FNDVETGQSA-N 0 0 237.387 3.627 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000779969081 585770796 /nfs/dbraw/zinc/77/07/96/585770796.db2.gz BXQINYMAVKCFGI-WUFNSSIPSA-N 0 0 237.387 3.627 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000779969082 585770906 /nfs/dbraw/zinc/77/09/06/585770906.db2.gz BXQINYMAVKCFGI-XTZCOPOCSA-N 0 0 237.387 3.627 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(CC)C[C@H](C)CC ZINC000779971552 585771065 /nfs/dbraw/zinc/77/10/65/585771065.db2.gz DGXRCMVOSIALBQ-GXZRWPEMSA-N 0 0 225.376 3.627 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(CC)C[C@@H](C)CC ZINC000779971553 585771067 /nfs/dbraw/zinc/77/10/67/585771067.db2.gz DGXRCMVOSIALBQ-IBPBOOLHSA-N 0 0 225.376 3.627 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(CC)C[C@H](C)CC ZINC000779971554 585771086 /nfs/dbraw/zinc/77/10/86/585771086.db2.gz DGXRCMVOSIALBQ-LPJIALBHSA-N 0 0 225.376 3.627 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(CC)C[C@@H](C)CC ZINC000779971555 585771079 /nfs/dbraw/zinc/77/10/79/585771079.db2.gz DGXRCMVOSIALBQ-UMAGAQSHSA-N 0 0 225.376 3.627 20 0 BHADRN CCCN(C(=O)[C@H](C)[C@H](C)CC)c1cccnc1 ZINC000779972246 585771072 /nfs/dbraw/zinc/77/10/72/585771072.db2.gz LIRRMRZCCBGPAZ-CHWSQXEVSA-N 0 0 248.370 3.507 20 0 BHADRN CCCN(C(=O)[C@@H](C)[C@H](C)CC)c1cccnc1 ZINC000779972247 585771006 /nfs/dbraw/zinc/77/10/06/585771006.db2.gz LIRRMRZCCBGPAZ-OLZOCXBDSA-N 0 0 248.370 3.507 20 0 BHADRN CCCN(C(=O)[C@H](C)[C@@H](C)CC)c1cccnc1 ZINC000779972248 585771000 /nfs/dbraw/zinc/77/10/00/585771000.db2.gz LIRRMRZCCBGPAZ-QWHCGFSZSA-N 0 0 248.370 3.507 20 0 BHADRN CCCN(C(=O)[C@@H](C)[C@@H](C)CC)c1cccnc1 ZINC000779972249 585771031 /nfs/dbraw/zinc/77/10/31/585771031.db2.gz LIRRMRZCCBGPAZ-STQMWFEESA-N 0 0 248.370 3.507 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000779972694 585771033 /nfs/dbraw/zinc/77/10/33/585771033.db2.gz ICGRLWQCQJHGSU-HHQWOOOKSA-N 0 0 243.350 3.836 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1Cc2ccccc2[C@H]1C ZINC000779972695 585771059 /nfs/dbraw/zinc/77/10/59/585771059.db2.gz ICGRLWQCQJHGSU-XZHRJIJLSA-N 0 0 243.350 3.836 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1Cc2ccccc2[C@H]1C ZINC000779972696 585771025 /nfs/dbraw/zinc/77/10/25/585771025.db2.gz ICGRLWQCQJHGSU-YLGBQOPLSA-N 0 0 243.350 3.836 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000779972697 585771073 /nfs/dbraw/zinc/77/10/73/585771073.db2.gz ICGRLWQCQJHGSU-YLSINNKHSA-N 0 0 243.350 3.836 20 0 BHADRN CCCN(C(=O)/C(C)=C(\C)CC)c1cccnc1 ZINC000779972748 585771026 /nfs/dbraw/zinc/77/10/26/585771026.db2.gz NXFRMDUUYGFZEC-OUKQBFOZSA-N 0 0 246.354 3.571 20 0 BHADRN CCCN(C(=O)/C(C)=C(/C)CC)c1cccnc1 ZINC000779972750 585771087 /nfs/dbraw/zinc/77/10/87/585771087.db2.gz NXFRMDUUYGFZEC-SEYXRHQNSA-N 0 0 246.354 3.571 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc(F)c1C ZINC000779975300 644720001 /nfs/dbraw/zinc/72/00/01/644720001.db2.gz UBANXBMGDZQXDX-KTKRTIGZSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc(F)c1C ZINC000779975301 644719077 /nfs/dbraw/zinc/71/90/77/644719077.db2.gz UBANXBMGDZQXDX-MDZDMXLPSA-N 0 0 235.302 3.819 20 0 BHADRN CCCN(C(=O)/C(C)=C(/C)CC)C(C)(C)C ZINC000779977134 644720717 /nfs/dbraw/zinc/72/07/17/644720717.db2.gz KYOWBOHXYZEUEL-QXMHVHEDSA-N 0 0 225.376 3.770 20 0 BHADRN CCCN(C(=O)/C(C)=C(\C)CC)C(C)(C)C ZINC000779977135 644721074 /nfs/dbraw/zinc/72/10/74/644721074.db2.gz KYOWBOHXYZEUEL-VAWYXSNFSA-N 0 0 225.376 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC(CC)(CC)C1 ZINC000779977678 585771144 /nfs/dbraw/zinc/77/11/44/585771144.db2.gz ONFBMRAMSJVUIB-OUKQBFOZSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC(CC)(CC)C1 ZINC000779977679 585771206 /nfs/dbraw/zinc/77/12/06/585771206.db2.gz ONFBMRAMSJVUIB-SEYXRHQNSA-N 0 0 237.387 3.772 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(C)s1 ZINC000779978630 585771236 /nfs/dbraw/zinc/77/12/36/585771236.db2.gz XCUDKCXBKOOPQR-GXSJLCMTSA-N 0 0 240.368 3.782 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(C)s1 ZINC000779978632 585771019 /nfs/dbraw/zinc/77/10/19/585771019.db2.gz XCUDKCXBKOOPQR-KOLCDFICSA-N 0 0 240.368 3.782 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(C)s1 ZINC000779978633 585771013 /nfs/dbraw/zinc/77/10/13/585771013.db2.gz XCUDKCXBKOOPQR-MWLCHTKSSA-N 0 0 240.368 3.782 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OCc1ccc(C)s1 ZINC000779978634 644719708 /nfs/dbraw/zinc/71/97/08/644719708.db2.gz XCUDKCXBKOOPQR-ONGXEEELSA-N 0 0 240.368 3.782 20 0 BHADRN CCCC1(CNC(=O)/C(C)=C(\C)CC)CCC1 ZINC000779980566 585771121 /nfs/dbraw/zinc/77/11/21/585771121.db2.gz LESGXMNLJMUSJS-OUKQBFOZSA-N 0 0 237.387 3.819 20 0 BHADRN CCCC1(CNC(=O)/C(C)=C(/C)CC)CCC1 ZINC000779980568 585771173 /nfs/dbraw/zinc/77/11/73/585771173.db2.gz LESGXMNLJMUSJS-SEYXRHQNSA-N 0 0 237.387 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCC(C)(C)CC(C)C ZINC000779980651 585771256 /nfs/dbraw/zinc/77/12/56/585771256.db2.gz KNJHHVDQMGDCAB-OUKQBFOZSA-N 0 0 239.403 3.921 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCC(C)(C)CC(C)C ZINC000779980652 585771238 /nfs/dbraw/zinc/77/12/38/585771238.db2.gz KNJHHVDQMGDCAB-SEYXRHQNSA-N 0 0 239.403 3.921 20 0 BHADRN CCC[C@H]1CCCN(C(=O)/C(C)=C(/C)CC)C1 ZINC000779980721 585771210 /nfs/dbraw/zinc/77/12/10/585771210.db2.gz NARNQBQGYNOPNY-DINCDJDBSA-N 0 0 237.387 3.772 20 0 BHADRN CCC[C@H]1CCCN(C(=O)/C(C)=C(\C)CC)C1 ZINC000779980722 585771184 /nfs/dbraw/zinc/77/11/84/585771184.db2.gz NARNQBQGYNOPNY-FNDVETGQSA-N 0 0 237.387 3.772 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)/C(C)=C(/C)CC)C1 ZINC000779980723 585771222 /nfs/dbraw/zinc/77/12/22/585771222.db2.gz NARNQBQGYNOPNY-WUFNSSIPSA-N 0 0 237.387 3.772 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)/C(C)=C(\C)CC)C1 ZINC000779980724 585771299 /nfs/dbraw/zinc/77/12/99/585771299.db2.gz NARNQBQGYNOPNY-XTZCOPOCSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCC1(CC)CCCC1 ZINC000779981106 585771308 /nfs/dbraw/zinc/77/13/08/585771308.db2.gz ALKAXKULUAHRMR-OUKQBFOZSA-N 0 0 237.387 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCC1(CC)CCCC1 ZINC000779981108 585771101 /nfs/dbraw/zinc/77/11/01/585771101.db2.gz ALKAXKULUAHRMR-SEYXRHQNSA-N 0 0 237.387 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H]1CCCCC1(C)C ZINC000779982471 585771208 /nfs/dbraw/zinc/77/12/08/585771208.db2.gz YXRBLJMECSBIHQ-HHQWOOOKSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000779982472 585771132 /nfs/dbraw/zinc/77/11/32/585771132.db2.gz YXRBLJMECSBIHQ-XZHRJIJLSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000779982473 585771107 /nfs/dbraw/zinc/77/11/07/585771107.db2.gz YXRBLJMECSBIHQ-YLGBQOPLSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H]1CCCCC1(C)C ZINC000779982474 585771103 /nfs/dbraw/zinc/77/11/03/585771103.db2.gz YXRBLJMECSBIHQ-YLSINNKHSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCC1(CC(C)C)CC1 ZINC000779983325 585771214 /nfs/dbraw/zinc/77/12/14/585771214.db2.gz LJPQLLLUBSAJMT-OUKQBFOZSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCC1(CC(C)C)CC1 ZINC000779983326 585771129 /nfs/dbraw/zinc/77/11/29/585771129.db2.gz LJPQLLLUBSAJMT-SEYXRHQNSA-N 0 0 237.387 3.675 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCC1(C)CCCCC1 ZINC000779984886 585771369 /nfs/dbraw/zinc/77/13/69/585771369.db2.gz WZPAIAFKIHHUQD-OUKQBFOZSA-N 0 0 237.387 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCC1(C)CCCCC1 ZINC000779984887 585771337 /nfs/dbraw/zinc/77/13/37/585771337.db2.gz WZPAIAFKIHHUQD-SEYXRHQNSA-N 0 0 237.387 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCc1c(C)cccc1C ZINC000779985121 585771355 /nfs/dbraw/zinc/77/13/55/585771355.db2.gz PNQINDSYYBJOFG-KAMYIIQDSA-N 0 0 245.366 3.666 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCc1c(C)cccc1C ZINC000779985122 585771429 /nfs/dbraw/zinc/77/14/29/585771429.db2.gz PNQINDSYYBJOFG-SDNWHVSQSA-N 0 0 245.366 3.666 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC(C(C)C)C(C)C ZINC000779987852 585771413 /nfs/dbraw/zinc/77/14/13/585771413.db2.gz HPZANMXPUGGSFD-QXMHVHEDSA-N 0 0 225.376 3.530 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC(C(C)C)C(C)C ZINC000779987853 585771459 /nfs/dbraw/zinc/77/14/59/585771459.db2.gz HPZANMXPUGGSFD-VAWYXSNFSA-N 0 0 225.376 3.530 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cc(C)cc(F)c1 ZINC000779989546 585771503 /nfs/dbraw/zinc/77/15/03/585771503.db2.gz VHEIVWBKHYBAHF-KHPPLWFESA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cc(C)cc(F)c1 ZINC000779989547 585771516 /nfs/dbraw/zinc/77/15/16/585771516.db2.gz VHEIVWBKHYBAHF-ZHACJKMWSA-N 0 0 235.302 3.819 20 0 BHADRN CCCCc1ccc(OC(=O)C2=CCC2)cc1 ZINC000780015208 644723155 /nfs/dbraw/zinc/72/31/55/644723155.db2.gz YIYKTPYOIKWKIJ-UHFFFAOYSA-N 0 0 230.307 3.655 20 0 BHADRN Cc1cccc(C)c1[C@@H](C)OC(=O)C1=CCC1 ZINC000780016612 644723715 /nfs/dbraw/zinc/72/37/15/644723715.db2.gz PAHJWBHHXHEKPV-GFCCVEGCSA-N 0 0 230.307 3.628 20 0 BHADRN Cc1cccc(C)c1[C@H](C)OC(=O)C1=CCC1 ZINC000780016613 585771685 /nfs/dbraw/zinc/77/16/85/585771685.db2.gz PAHJWBHHXHEKPV-LBPRGKRZSA-N 0 0 230.307 3.628 20 0 BHADRN CC[C@H](OC(=O)C1=CCC1)c1ccc(C)cc1 ZINC000780022487 585771723 /nfs/dbraw/zinc/77/17/23/585771723.db2.gz DYVSXTHBPPVMPV-AWEZNQCLSA-N 0 0 230.307 3.710 20 0 BHADRN CC[C@@H](OC(=O)C1=CCC1)c1ccc(C)cc1 ZINC000780022489 585771679 /nfs/dbraw/zinc/77/16/79/585771679.db2.gz DYVSXTHBPPVMPV-CQSZACIVSA-N 0 0 230.307 3.710 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)N1CCc2cc(C)ccc21 ZINC000780030370 585771840 /nfs/dbraw/zinc/77/18/40/585771840.db2.gz CSPHTDGKQIDWBP-CHWSQXEVSA-N 0 0 245.366 3.566 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)N1CCc2cc(C)ccc21 ZINC000780030371 585771881 /nfs/dbraw/zinc/77/18/81/585771881.db2.gz CSPHTDGKQIDWBP-OLZOCXBDSA-N 0 0 245.366 3.566 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)N1CCc2cc(C)ccc21 ZINC000780030373 585771883 /nfs/dbraw/zinc/77/18/83/585771883.db2.gz CSPHTDGKQIDWBP-QWHCGFSZSA-N 0 0 245.366 3.566 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)N1CCc2cc(C)ccc21 ZINC000780030375 585771973 /nfs/dbraw/zinc/77/19/73/585771973.db2.gz CSPHTDGKQIDWBP-STQMWFEESA-N 0 0 245.366 3.566 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1[C@H](C)CC[C@@H]1CC ZINC000780031322 585771954 /nfs/dbraw/zinc/77/19/54/585771954.db2.gz HGGRSIPIQLQCMS-HNCWSSJKSA-N 0 0 223.360 3.522 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1[C@H](C)CC[C@H]1CC ZINC000780031324 585771891 /nfs/dbraw/zinc/77/18/91/585771891.db2.gz HGGRSIPIQLQCMS-KLOBIAMYSA-N 0 0 223.360 3.522 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1[C@H](C)CC[C@@H]1CC ZINC000780031326 585771820 /nfs/dbraw/zinc/77/18/20/585771820.db2.gz HGGRSIPIQLQCMS-ZEOYUPMXSA-N 0 0 223.360 3.522 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1[C@H](C)CC[C@H]1CC ZINC000780031327 585771775 /nfs/dbraw/zinc/77/17/75/585771775.db2.gz HGGRSIPIQLQCMS-ZGDCTCODSA-N 0 0 223.360 3.522 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc(C)c1F ZINC000780032022 585771919 /nfs/dbraw/zinc/77/19/19/585771919.db2.gz LHPCUKOOPXDESN-LUAWRHEFSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc(C)c1F ZINC000780032024 585771787 /nfs/dbraw/zinc/77/17/87/585771787.db2.gz LHPCUKOOPXDESN-PKNBQFBNSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H]1CC12CCCCC2 ZINC000780032407 585771936 /nfs/dbraw/zinc/77/19/36/585771936.db2.gz RUXRIIMBGGQURR-HHQWOOOKSA-N 0 0 235.371 3.572 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000780032577 585771848 /nfs/dbraw/zinc/77/18/48/585771848.db2.gz RUXRIIMBGGQURR-XZHRJIJLSA-N 0 0 235.371 3.572 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000780032578 582791738 /nfs/dbraw/zinc/79/17/38/582791738.db2.gz RUXRIIMBGGQURR-YLGBQOPLSA-N 0 0 235.371 3.572 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H]1CC12CCCCC2 ZINC000780032583 582791135 /nfs/dbraw/zinc/79/11/35/582791135.db2.gz RUXRIIMBGGQURR-YLSINNKHSA-N 0 0 235.371 3.572 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1c(C)cccc1F ZINC000780034082 585771948 /nfs/dbraw/zinc/77/19/48/585771948.db2.gz VVRPVIHNMSTVPG-LUAWRHEFSA-N 0 0 235.302 3.819 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1c(C)cccc1F ZINC000780034086 585771847 /nfs/dbraw/zinc/77/18/47/585771847.db2.gz VVRPVIHNMSTVPG-PKNBQFBNSA-N 0 0 235.302 3.819 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OCc1sccc1C ZINC000780039615 585771959 /nfs/dbraw/zinc/77/19/59/585771959.db2.gz VRDQBYFBYNRNJI-GXSJLCMTSA-N 0 0 240.368 3.782 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)OCc1sccc1C ZINC000780039616 585771850 /nfs/dbraw/zinc/77/18/50/585771850.db2.gz VRDQBYFBYNRNJI-KOLCDFICSA-N 0 0 240.368 3.782 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)OCc1sccc1C ZINC000780039618 585771761 /nfs/dbraw/zinc/77/17/61/585771761.db2.gz VRDQBYFBYNRNJI-MWLCHTKSSA-N 0 0 240.368 3.782 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OCc1sccc1C ZINC000780039620 585771557 /nfs/dbraw/zinc/77/15/57/585771557.db2.gz VRDQBYFBYNRNJI-ONGXEEELSA-N 0 0 240.368 3.782 20 0 BHADRN CCCC1(C(=O)Oc2cccc(C)c2F)CC1 ZINC000780079924 585772375 /nfs/dbraw/zinc/77/23/75/585772375.db2.gz NJPNCQPJRPDVNP-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cccc(OC(=O)C2CCCCC2)c1F ZINC000780080188 585772416 /nfs/dbraw/zinc/77/24/16/585772416.db2.gz WQIKOIQNDGIKKF-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2CC23CCCC3)c1F ZINC000780081356 585772502 /nfs/dbraw/zinc/77/25/02/585772502.db2.gz DIQWMUMHMZRRFY-LLVKDONJSA-N 0 0 248.297 3.620 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2CC23CCCC3)c1F ZINC000780081357 585772347 /nfs/dbraw/zinc/77/23/47/585772347.db2.gz DIQWMUMHMZRRFY-NSHDSACASA-N 0 0 248.297 3.620 20 0 BHADRN Cc1cccc(OC(=O)CCC(C)(C)C)c1F ZINC000780081874 585772486 /nfs/dbraw/zinc/77/24/86/585772486.db2.gz GSPHGYJHAXLWGX-UHFFFAOYSA-N 0 0 238.302 3.866 20 0 BHADRN Cc1cccc(OC(=O)CC2=CCCCC2)c1F ZINC000780082061 585772427 /nfs/dbraw/zinc/77/24/27/585772427.db2.gz HZKZHQDPRIFQST-UHFFFAOYSA-N 0 0 248.297 3.930 20 0 BHADRN Cc1cccc(OC(=O)CC2CCCC2)c1F ZINC000780082722 585772381 /nfs/dbraw/zinc/77/23/81/585772381.db2.gz NKCPRYMEPOSHSL-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cccc(OC(=O)/C=C/C(C)(C)C)c1F ZINC000780082815 585772365 /nfs/dbraw/zinc/77/23/65/585772365.db2.gz GUGIUBYGYPLKJR-CMDGGOBGSA-N 0 0 236.286 3.642 20 0 BHADRN Cc1cccc(OC(=O)/C=C\C(C)(C)C)c1F ZINC000780082823 585772504 /nfs/dbraw/zinc/77/25/04/585772504.db2.gz GUGIUBYGYPLKJR-HJWRWDBZSA-N 0 0 236.286 3.642 20 0 BHADRN Cc1cc(C)c(C(=O)Oc2cccc(C)c2F)o1 ZINC000780083593 585772526 /nfs/dbraw/zinc/77/25/26/585772526.db2.gz SCUUUQIBQQAMJR-UHFFFAOYSA-N 0 0 248.253 3.563 20 0 BHADRN Cc1cccc(OC(=O)C=C2CCCC2)c1F ZINC000780083665 585772530 /nfs/dbraw/zinc/77/25/30/585772530.db2.gz OIBJGFOGBGKEMB-UHFFFAOYSA-N 0 0 234.270 3.540 20 0 BHADRN CCCCCC(=O)Oc1cccc(C)c1F ZINC000780084083 585772545 /nfs/dbraw/zinc/77/25/45/585772545.db2.gz OJUZXDJQKZOPAH-UHFFFAOYSA-N 0 0 224.275 3.620 20 0 BHADRN CCC(C)(C)CC(=O)Oc1cccc(C)c1F ZINC000780084105 585772546 /nfs/dbraw/zinc/77/25/46/585772546.db2.gz PSHWVKOKAMHWLJ-UHFFFAOYSA-N 0 0 238.302 3.866 20 0 BHADRN Cc1cccc(OC(=O)C2(C)CCCC2)c1F ZINC000780084202 585772386 /nfs/dbraw/zinc/77/23/86/585772386.db2.gz SCKJZJBJIFNRKO-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cccc(OC(=O)[C@H](C)C(C)(C)C)c1F ZINC000780084302 585772456 /nfs/dbraw/zinc/77/24/56/585772456.db2.gz VJVIXNIHZMJLDI-JTQLQIEISA-N 0 0 238.302 3.722 20 0 BHADRN Cc1cccc(OC(=O)[C@@H](C)C(C)(C)C)c1F ZINC000780084303 585772411 /nfs/dbraw/zinc/77/24/11/585772411.db2.gz VJVIXNIHZMJLDI-SNVBAGLBSA-N 0 0 238.302 3.722 20 0 BHADRN Cc1cccc(OC(=O)CCC2CCC2)c1F ZINC000780084655 585772455 /nfs/dbraw/zinc/77/24/55/585772455.db2.gz AYIOGIIIJLCYAW-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Oc1cccc(C)c1F ZINC000780084671 585772439 /nfs/dbraw/zinc/77/24/39/585772439.db2.gz ZGMVGBHYHVSAEK-GXSJLCMTSA-N 0 0 238.302 3.722 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Oc1cccc(C)c1F ZINC000780084672 585772415 /nfs/dbraw/zinc/77/24/15/585772415.db2.gz ZGMVGBHYHVSAEK-KOLCDFICSA-N 0 0 238.302 3.722 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Oc1cccc(C)c1F ZINC000780084673 585772489 /nfs/dbraw/zinc/77/24/89/585772489.db2.gz ZGMVGBHYHVSAEK-MWLCHTKSSA-N 0 0 238.302 3.722 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Oc1cccc(C)c1F ZINC000780084675 585772366 /nfs/dbraw/zinc/77/23/66/585772366.db2.gz ZGMVGBHYHVSAEK-ONGXEEELSA-N 0 0 238.302 3.722 20 0 BHADRN Cc1cc(C(=O)Oc2cccc(C)c2F)c(C)o1 ZINC000780085219 585772467 /nfs/dbraw/zinc/77/24/67/585772467.db2.gz KTECRDYDVRASDL-UHFFFAOYSA-N 0 0 248.253 3.563 20 0 BHADRN CCC1(C(=O)Oc2cccc(C)c2F)CCC1 ZINC000780085569 585772441 /nfs/dbraw/zinc/77/24/41/585772441.db2.gz NXJNFUIGPDWBNC-UHFFFAOYSA-N 0 0 236.286 3.620 20 0 BHADRN Cc1cc(C(=O)Oc2cccc(C)c2F)oc1C ZINC000780086319 585772532 /nfs/dbraw/zinc/77/25/32/585772532.db2.gz ZBUNUUDQCIMUKQ-UHFFFAOYSA-N 0 0 248.253 3.563 20 0 BHADRN CC1=C(C(=O)Oc2cccc(C)c2F)CCC1 ZINC000780087573 585772498 /nfs/dbraw/zinc/77/24/98/585772498.db2.gz ILPFDNPBWZEQPA-UHFFFAOYSA-N 0 0 234.270 3.540 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NC(C)C ZINC000780137100 585773167 /nfs/dbraw/zinc/77/31/67/585773167.db2.gz DSTPYZYACMPZJN-CYBMUJFWSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NC(C)C ZINC000780137101 585773187 /nfs/dbraw/zinc/77/31/87/585773187.db2.gz DSTPYZYACMPZJN-ZDUSSCGKSA-N 0 0 213.365 3.508 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CCCCC1 ZINC000780137694 585773082 /nfs/dbraw/zinc/77/30/82/585773082.db2.gz XCXBFZUWEDSPRJ-HNNXBMFYSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CCCCC1 ZINC000780137695 585773091 /nfs/dbraw/zinc/77/30/91/585773091.db2.gz XCXBFZUWEDSPRJ-OAHLLOKOSA-N 0 0 239.403 3.996 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N[C@@H](C)CC ZINC000780146544 585773210 /nfs/dbraw/zinc/77/32/10/585773210.db2.gz WJNWVEZMDHUYGN-GXTWGEPZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N[C@@H](C)CC ZINC000780146556 585773191 /nfs/dbraw/zinc/77/31/91/585773191.db2.gz WJNWVEZMDHUYGN-JSGCOSHPSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N[C@H](C)CC ZINC000780146557 585773188 /nfs/dbraw/zinc/77/31/88/585773188.db2.gz WJNWVEZMDHUYGN-OCCSQVGLSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N[C@H](C)CC ZINC000780146561 585773159 /nfs/dbraw/zinc/77/31/59/585773159.db2.gz WJNWVEZMDHUYGN-TZMCWYRMSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CCCC1 ZINC000780146599 585773078 /nfs/dbraw/zinc/77/30/78/585773078.db2.gz WTYHRQCDNOHESM-AWEZNQCLSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CCCC1 ZINC000780146612 585773069 /nfs/dbraw/zinc/77/30/69/585773069.db2.gz WTYHRQCDNOHESM-CQSZACIVSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NCCCC ZINC000780149606 644724912 /nfs/dbraw/zinc/72/49/12/644724912.db2.gz VGXGVIWZVSIFQE-AWEZNQCLSA-N 0 0 227.392 3.899 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NCCCC ZINC000780149609 644724629 /nfs/dbraw/zinc/72/46/29/644724629.db2.gz VGXGVIWZVSIFQE-CQSZACIVSA-N 0 0 227.392 3.899 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N(CC)CC ZINC000780149954 644724154 /nfs/dbraw/zinc/72/41/54/644724154.db2.gz QRHRLGRJASTKRC-AWEZNQCLSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N(CC)CC ZINC000780149955 644724883 /nfs/dbraw/zinc/72/48/83/644724883.db2.gz QRHRLGRJASTKRC-CQSZACIVSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NCC(C)C ZINC000780155868 644725733 /nfs/dbraw/zinc/72/57/33/644725733.db2.gz WMJZHBVPZRNNEH-AWEZNQCLSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NCC(C)C ZINC000780155870 644725523 /nfs/dbraw/zinc/72/55/23/644725523.db2.gz WMJZHBVPZRNNEH-CQSZACIVSA-N 0 0 227.392 3.755 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NCCC ZINC000780159950 585773263 /nfs/dbraw/zinc/77/32/63/585773263.db2.gz SRPUFMDAFFYERH-CYBMUJFWSA-N 0 0 213.365 3.509 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NCCC ZINC000780159952 585773425 /nfs/dbraw/zinc/77/34/25/585773425.db2.gz SRPUFMDAFFYERH-ZDUSSCGKSA-N 0 0 213.365 3.509 20 0 BHADRN CC/C(C)=C(/C)C(=O)OCc1cccc(F)c1 ZINC000780217538 585773752 /nfs/dbraw/zinc/77/37/52/585773752.db2.gz ZDMHOSBKKQNVDR-KHPPLWFESA-N 0 0 236.286 3.615 20 0 BHADRN CC/C(C)=C(\C)C(=O)OCc1cccc(F)c1 ZINC000780217539 585773701 /nfs/dbraw/zinc/77/37/01/585773701.db2.gz ZDMHOSBKKQNVDR-ZHACJKMWSA-N 0 0 236.286 3.615 20 0 BHADRN CC/C(C)=C(\C)C(=O)OC/C(Cl)=C\Cl ZINC000780222266 644726259 /nfs/dbraw/zinc/72/62/59/644726259.db2.gz YDCDJZBGVQBGJB-DMQCZMPNSA-N 0 0 237.126 3.595 20 0 BHADRN CC/C(C)=C(/C)C(=O)OC/C(Cl)=C\Cl ZINC000780222267 644727298 /nfs/dbraw/zinc/72/72/98/644727298.db2.gz YDCDJZBGVQBGJB-ISXYNVPDSA-N 0 0 237.126 3.595 20 0 BHADRN CC/C(C)=C(/C)C(=O)OC/C(Cl)=C/Cl ZINC000780222268 644726977 /nfs/dbraw/zinc/72/69/77/644726977.db2.gz YDCDJZBGVQBGJB-MFXUOLQWSA-N 0 0 237.126 3.595 20 0 BHADRN CC/C(C)=C(\C)C(=O)OC/C(Cl)=C/Cl ZINC000780222270 644727458 /nfs/dbraw/zinc/72/74/58/644727458.db2.gz YDCDJZBGVQBGJB-SYKUMTQPSA-N 0 0 237.126 3.595 20 0 BHADRN CCC(C)(C)CCOC(=O)c1ncc(C)cc1C ZINC000780223998 644728421 /nfs/dbraw/zinc/72/84/21/644728421.db2.gz UOZQVEPLFGRVET-UHFFFAOYSA-N 0 0 249.354 3.682 20 0 BHADRN CC/C(C)=C(/C)C(=O)OCCc1cccs1 ZINC000780224811 585773436 /nfs/dbraw/zinc/77/34/36/585773436.db2.gz YSNIPVWNCZGWSO-KHPPLWFESA-N 0 0 238.352 3.580 20 0 BHADRN CC/C(C)=C(\C)C(=O)OCCc1cccs1 ZINC000780224816 585773335 /nfs/dbraw/zinc/77/33/35/585773335.db2.gz YSNIPVWNCZGWSO-ZHACJKMWSA-N 0 0 238.352 3.580 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)OCc1cccc(F)c1 ZINC000780239268 585774262 /nfs/dbraw/zinc/77/42/62/585774262.db2.gz JOSDHJFEQRGTRK-GHMZBOCLSA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)OCc1cccc(F)c1 ZINC000780239270 585774387 /nfs/dbraw/zinc/77/43/87/585774387.db2.gz JOSDHJFEQRGTRK-MNOVXSKESA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OCc1cccc(F)c1 ZINC000780239273 585774321 /nfs/dbraw/zinc/77/43/21/585774321.db2.gz JOSDHJFEQRGTRK-QWRGUYRKSA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OCc1cccc(F)c1 ZINC000780239275 585774355 /nfs/dbraw/zinc/77/43/55/585774355.db2.gz JOSDHJFEQRGTRK-WDEREUQCSA-N 0 0 238.302 3.551 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OC/C(Cl)=C/Cl ZINC000780243877 585774488 /nfs/dbraw/zinc/77/44/88/585774488.db2.gz RUCLGJSLWUSFPE-DNQIDNJZSA-N 0 0 239.142 3.531 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OC/C(Cl)=C\Cl ZINC000780243878 585774631 /nfs/dbraw/zinc/77/46/31/585774631.db2.gz RUCLGJSLWUSFPE-LSUQNPSCSA-N 0 0 239.142 3.531 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OC/C(Cl)=C\Cl ZINC000780243879 585774460 /nfs/dbraw/zinc/77/44/60/585774460.db2.gz RUCLGJSLWUSFPE-NLHCUKTESA-N 0 0 239.142 3.531 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OC/C(Cl)=C/Cl ZINC000780243880 585774541 /nfs/dbraw/zinc/77/45/41/585774541.db2.gz RUCLGJSLWUSFPE-YBXZGVKSSA-N 0 0 239.142 3.531 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)OCCc1cccs1 ZINC000780246394 585774840 /nfs/dbraw/zinc/77/48/40/585774840.db2.gz RYOABAFUHUUSEH-GHMZBOCLSA-N 0 0 240.368 3.516 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)OCCc1cccs1 ZINC000780246395 585774800 /nfs/dbraw/zinc/77/48/00/585774800.db2.gz RYOABAFUHUUSEH-MNOVXSKESA-N 0 0 240.368 3.516 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OCCc1cccs1 ZINC000780246396 585774731 /nfs/dbraw/zinc/77/47/31/585774731.db2.gz RYOABAFUHUUSEH-QWRGUYRKSA-N 0 0 240.368 3.516 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OCCc1cccs1 ZINC000780246397 585774862 /nfs/dbraw/zinc/77/48/62/585774862.db2.gz RYOABAFUHUUSEH-WDEREUQCSA-N 0 0 240.368 3.516 20 0 BHADRN Cc1ccc2[nH]cc(C(=O)OC3CCCC3)c2c1 ZINC000780247124 585774699 /nfs/dbraw/zinc/77/46/99/585774699.db2.gz QBAHICJDPXARHY-UHFFFAOYSA-N 0 0 243.306 3.576 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)OCCc1ccsc1 ZINC000780248459 585774981 /nfs/dbraw/zinc/77/49/81/585774981.db2.gz ZATSQFLTPXZXOZ-GHMZBOCLSA-N 0 0 240.368 3.516 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)OCCc1ccsc1 ZINC000780248461 585775007 /nfs/dbraw/zinc/77/50/07/585775007.db2.gz ZATSQFLTPXZXOZ-MNOVXSKESA-N 0 0 240.368 3.516 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OCCc1ccsc1 ZINC000780248462 585775033 /nfs/dbraw/zinc/77/50/33/585775033.db2.gz ZATSQFLTPXZXOZ-QWRGUYRKSA-N 0 0 240.368 3.516 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OCCc1ccsc1 ZINC000780248463 585775035 /nfs/dbraw/zinc/77/50/35/585775035.db2.gz ZATSQFLTPXZXOZ-WDEREUQCSA-N 0 0 240.368 3.516 20 0 BHADRN CC1(C(=O)Oc2ccc(F)cc2)CCCCC1 ZINC000780262057 585775852 /nfs/dbraw/zinc/77/58/52/585775852.db2.gz MWNDAPBVIRUCLB-UHFFFAOYSA-N 0 0 236.286 3.702 20 0 BHADRN CC1(C(=O)Oc2ccccc2)CCCCC1 ZINC000780263030 585775984 /nfs/dbraw/zinc/77/59/84/585775984.db2.gz RUUFKEYYRISETR-UHFFFAOYSA-N 0 0 218.296 3.562 20 0 BHADRN CC1(C(=O)Oc2cccc(F)c2)CCCCC1 ZINC000780263057 585776034 /nfs/dbraw/zinc/77/60/34/585776034.db2.gz SBIGKYMYFCFIKH-UHFFFAOYSA-N 0 0 236.286 3.702 20 0 BHADRN CCCCCCNC(=O)C1(C)CCCCC1 ZINC000780299894 585777372 /nfs/dbraw/zinc/77/73/72/585777372.db2.gz VOFPOOIWNWVQST-UHFFFAOYSA-N 0 0 225.376 3.653 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)c1coc(C)c1 ZINC000780301940 585777629 /nfs/dbraw/zinc/77/76/29/585777629.db2.gz TXKCIBTXQKSGPL-LLVKDONJSA-N 0 0 237.343 3.677 20 0 BHADRN CCCCCC[C@H](C)NC(=O)c1coc(C)c1 ZINC000780301954 585777548 /nfs/dbraw/zinc/77/75/48/585777548.db2.gz TXKCIBTXQKSGPL-NSHDSACASA-N 0 0 237.343 3.677 20 0 BHADRN CC(=O)c1c(C)cccc1NCc1ccccc1 ZINC000780307198 585777515 /nfs/dbraw/zinc/77/75/15/585777515.db2.gz AYGQDEJIPKUVPD-UHFFFAOYSA-N 0 0 239.318 3.810 20 0 BHADRN CC(=O)c1c(C)cccc1NCCC(F)(F)F ZINC000780311674 585777639 /nfs/dbraw/zinc/77/76/39/585777639.db2.gz FVULNKSCSGQIDA-UHFFFAOYSA-N 0 0 245.244 3.562 20 0 BHADRN COCCCSCc1ccc(Cl)cc1C ZINC000780337549 585778063 /nfs/dbraw/zinc/77/80/63/585778063.db2.gz BTDXPJCKAPDXNG-UHFFFAOYSA-N 0 0 244.787 3.918 20 0 BHADRN CCN(C(=O)c1coc(C)c1)c1ccc(C)cc1 ZINC000780339774 644729334 /nfs/dbraw/zinc/72/93/34/644729334.db2.gz TZAHPBVFOUOTMT-UHFFFAOYSA-N 0 0 243.306 3.563 20 0 BHADRN CON(Cc1ccccc1)Cc1cccc(C)c1 ZINC000780342091 585778268 /nfs/dbraw/zinc/77/82/68/585778268.db2.gz SZOWQFXYXWRWLB-UHFFFAOYSA-N 0 0 241.334 3.559 20 0 BHADRN CON(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000780344697 585778196 /nfs/dbraw/zinc/77/81/96/585778196.db2.gz UAWYKZALRDPJMU-AWEZNQCLSA-N 0 0 241.334 3.811 20 0 BHADRN CON(Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000780344698 585778224 /nfs/dbraw/zinc/77/82/24/585778224.db2.gz UAWYKZALRDPJMU-CQSZACIVSA-N 0 0 241.334 3.811 20 0 BHADRN CCOC(CSCCCC(C)C)OCC ZINC000780346467 585778175 /nfs/dbraw/zinc/77/81/75/585778175.db2.gz GNHQOJIOZRAWPN-UHFFFAOYSA-N 0 0 234.405 3.555 20 0 BHADRN CON(Cc1ccccc1)Cc1ccccc1C ZINC000780348020 585778214 /nfs/dbraw/zinc/77/82/14/585778214.db2.gz RWWIPPNXTUBIIG-UHFFFAOYSA-N 0 0 241.334 3.559 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NCC1CCC1 ZINC000780350463 585778278 /nfs/dbraw/zinc/77/82/78/585778278.db2.gz UHYHZGRBZJKXCF-HNNXBMFYSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NCC1CCC1 ZINC000780350464 585778162 /nfs/dbraw/zinc/77/81/62/585778162.db2.gz UHYHZGRBZJKXCF-OAHLLOKOSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@](C)(CC)c1nc(C)no1 ZINC000780353047 585778145 /nfs/dbraw/zinc/77/81/45/585778145.db2.gz OUZDYICQXRBUOG-GFCCVEGCSA-N 0 0 210.321 3.626 20 0 BHADRN CCCCC[C@](C)(CC)c1nc(C)no1 ZINC000780353048 585778287 /nfs/dbraw/zinc/77/82/87/585778287.db2.gz OUZDYICQXRBUOG-LBPRGKRZSA-N 0 0 210.321 3.626 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NC[C@H]1C[C@@H]1C ZINC000780355192 585778506 /nfs/dbraw/zinc/77/85/06/585778506.db2.gz CRVZDVLGACBNMG-GUTXKFCHSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NC[C@@H]1C[C@H]1C ZINC000780355193 585778558 /nfs/dbraw/zinc/77/85/58/585778558.db2.gz CRVZDVLGACBNMG-IPYPFGDCSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NC[C@H]1C[C@H]1C ZINC000780355194 585778518 /nfs/dbraw/zinc/77/85/18/585778518.db2.gz CRVZDVLGACBNMG-NFAWXSAZSA-N 0 0 239.403 3.755 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NC[C@@H]1C[C@@H]1C ZINC000780355195 585778400 /nfs/dbraw/zinc/77/84/00/585778400.db2.gz CRVZDVLGACBNMG-YDHLFZDLSA-N 0 0 239.403 3.755 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)OCCSC(C)(C)C ZINC000780368706 585778327 /nfs/dbraw/zinc/77/83/27/585778327.db2.gz PNMIPBBMTGHTAB-GHMZBOCLSA-N 0 0 246.416 3.744 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)OCCSC(C)(C)C ZINC000780368707 585778441 /nfs/dbraw/zinc/77/84/41/585778441.db2.gz PNMIPBBMTGHTAB-MNOVXSKESA-N 0 0 246.416 3.744 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OCCSC(C)(C)C ZINC000780368713 585778483 /nfs/dbraw/zinc/77/84/83/585778483.db2.gz PNMIPBBMTGHTAB-QWRGUYRKSA-N 0 0 246.416 3.744 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OCCSC(C)(C)C ZINC000780368716 585778554 /nfs/dbraw/zinc/77/85/54/585778554.db2.gz PNMIPBBMTGHTAB-WDEREUQCSA-N 0 0 246.416 3.744 20 0 BHADRN CCCCCCNC(=O)CC(C)(C)CCC ZINC000780374090 585778581 /nfs/dbraw/zinc/77/85/81/585778581.db2.gz JWVWWPOZYZVJJR-UHFFFAOYSA-N 0 0 227.392 3.899 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Oc1cccc2[nH]ccc21 ZINC000780394294 585778653 /nfs/dbraw/zinc/77/86/53/585778653.db2.gz IZEUCBRZWHRUEV-GHMZBOCLSA-N 0 0 245.322 3.756 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Oc1cccc2[nH]ccc21 ZINC000780394295 585778746 /nfs/dbraw/zinc/77/87/46/585778746.db2.gz IZEUCBRZWHRUEV-MNOVXSKESA-N 0 0 245.322 3.756 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Oc1cccc2[nH]ccc21 ZINC000780394297 585778744 /nfs/dbraw/zinc/77/87/44/585778744.db2.gz IZEUCBRZWHRUEV-QWRGUYRKSA-N 0 0 245.322 3.756 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Oc1cccc2[nH]ccc21 ZINC000780394298 585778623 /nfs/dbraw/zinc/77/86/23/585778623.db2.gz IZEUCBRZWHRUEV-WDEREUQCSA-N 0 0 245.322 3.756 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N(C)CC1CC1 ZINC000780397403 585778797 /nfs/dbraw/zinc/77/87/97/585778797.db2.gz LAUVTVWFSXWPJO-HNNXBMFYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N(C)CC1CC1 ZINC000780397404 585778770 /nfs/dbraw/zinc/77/87/70/585778770.db2.gz LAUVTVWFSXWPJO-OAHLLOKOSA-N 0 0 239.403 3.851 20 0 BHADRN C[C@H]1C[C@H](C(=O)OC2(C3CC3)CC2)C[C@@H](C)C1 ZINC000780398893 585778642 /nfs/dbraw/zinc/77/86/42/585778642.db2.gz SPTSBLALRRKSTK-GDNZZTSVSA-N 0 0 236.355 3.545 20 0 BHADRN C[C@H]1CC(C(=O)OC2(C3CC3)CC2)C[C@H](C)C1 ZINC000780398894 585778789 /nfs/dbraw/zinc/77/87/89/585778789.db2.gz SPTSBLALRRKSTK-GHMZBOCLSA-N 0 0 236.355 3.545 20 0 BHADRN C[C@@H]1CC(C(=O)OC2(C3CC3)CC2)C[C@@H](C)C1 ZINC000780398895 585778649 /nfs/dbraw/zinc/77/86/49/585778649.db2.gz SPTSBLALRRKSTK-QWRGUYRKSA-N 0 0 236.355 3.545 20 0 BHADRN Cc1cc(C(=O)NCC2CCCCCCC2)co1 ZINC000780415189 585778928 /nfs/dbraw/zinc/77/89/28/585778928.db2.gz BABQYFAJXJNTSV-UHFFFAOYSA-N 0 0 249.354 3.678 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)O[C@@H](C)c1ccco1 ZINC000780468941 644732160 /nfs/dbraw/zinc/73/21/60/644732160.db2.gz SYADOZNUFBOKIF-MXWKQRLJSA-N 0 0 224.300 3.566 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)O[C@H](C)c1ccco1 ZINC000780468942 644732034 /nfs/dbraw/zinc/73/20/34/644732034.db2.gz SYADOZNUFBOKIF-OUAUKWLOSA-N 0 0 224.300 3.566 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)O[C@@H](C)c1ccco1 ZINC000780468944 644731778 /nfs/dbraw/zinc/73/17/78/644731778.db2.gz SYADOZNUFBOKIF-VWYCJHECSA-N 0 0 224.300 3.566 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N(C)C1CC1 ZINC000780472712 644731927 /nfs/dbraw/zinc/73/19/27/644731927.db2.gz JLXRKEZKGRSXDQ-AWEZNQCLSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N(C)C1CC1 ZINC000780472714 644732191 /nfs/dbraw/zinc/73/21/91/644732191.db2.gz JLXRKEZKGRSXDQ-CQSZACIVSA-N 0 0 225.376 3.604 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)O[C@H](C)c1cnccc1C ZINC000780476595 585779398 /nfs/dbraw/zinc/77/93/98/585779398.db2.gz PPMGTOLPYVLKSO-CYZMBNFOSA-N 0 0 249.354 3.676 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)O[C@@H](C)c1cnccc1C ZINC000780476596 585779435 /nfs/dbraw/zinc/77/94/35/585779435.db2.gz PPMGTOLPYVLKSO-DRZSPHRISA-N 0 0 249.354 3.676 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)c1cnccc1C ZINC000780476599 585779364 /nfs/dbraw/zinc/77/93/64/585779364.db2.gz PPMGTOLPYVLKSO-UHTWSYAYSA-N 0 0 249.354 3.676 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)O[C@H](C)c1cnccc1C ZINC000780476602 585779355 /nfs/dbraw/zinc/77/93/55/585779355.db2.gz PPMGTOLPYVLKSO-WCFLWFBJSA-N 0 0 249.354 3.676 20 0 BHADRN CC1(COC(=O)c2cccnc2)CCCCCC1 ZINC000780498883 585779483 /nfs/dbraw/zinc/77/94/83/585779483.db2.gz YEPSMCXIHOSKBX-UHFFFAOYSA-N 0 0 247.338 3.599 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N(C)CCC ZINC000780515812 585780117 /nfs/dbraw/zinc/78/01/17/585780117.db2.gz LDWFZNHDJGSHCN-AWEZNQCLSA-N 0 0 227.392 3.851 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N(C)CCC ZINC000780515817 585780030 /nfs/dbraw/zinc/78/00/30/585780030.db2.gz LDWFZNHDJGSHCN-CQSZACIVSA-N 0 0 227.392 3.851 20 0 BHADRN c1sc(Cc2ccccc2)nc1CC1CC1 ZINC000780528681 585780023 /nfs/dbraw/zinc/78/00/23/585780023.db2.gz UTGOLNZAMHKJFR-UHFFFAOYSA-N 0 0 229.348 3.686 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)Nc1cnoc1 ZINC000780535575 585780305 /nfs/dbraw/zinc/78/03/05/585780305.db2.gz DVCJPKOVQQBXPR-CYBMUJFWSA-N 0 0 238.331 3.610 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)Nc1cnoc1 ZINC000780535576 585780211 /nfs/dbraw/zinc/78/02/11/585780211.db2.gz DVCJPKOVQQBXPR-ZDUSSCGKSA-N 0 0 238.331 3.610 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CC[C@H](C)C1 ZINC000780544953 585780277 /nfs/dbraw/zinc/78/02/77/585780277.db2.gz NNQMGTQFQWYKAW-DZGCQCFKSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CC[C@@H](C)C1 ZINC000780544954 585780222 /nfs/dbraw/zinc/78/02/22/585780222.db2.gz NNQMGTQFQWYKAW-HIFRSBDPSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CC[C@@H](C)C1 ZINC000780544955 585780185 /nfs/dbraw/zinc/78/01/85/585780185.db2.gz NNQMGTQFQWYKAW-UKRRQHHQSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CC[C@H](C)C1 ZINC000780544956 585780168 /nfs/dbraw/zinc/78/01/68/585780168.db2.gz NNQMGTQFQWYKAW-ZFWWWQNUSA-N 0 0 239.403 3.851 20 0 BHADRN Cc1ccc(N(C)C(=O)C2(C)CCCCC2)cc1 ZINC000780545403 585780307 /nfs/dbraw/zinc/78/03/07/585780307.db2.gz NWNJUBNYCQJYFS-UHFFFAOYSA-N 0 0 245.366 3.928 20 0 BHADRN C[C@H](CC(=O)O[C@H]1C=CCC1)c1ccccc1F ZINC000780547496 585780216 /nfs/dbraw/zinc/78/02/16/585780216.db2.gz NWTYUTJLNJZKAJ-NEPJUHHUSA-N 0 0 248.297 3.581 20 0 BHADRN C[C@@H](CC(=O)O[C@@H]1C=CCC1)c1ccccc1F ZINC000780547498 585780122 /nfs/dbraw/zinc/78/01/22/585780122.db2.gz NWTYUTJLNJZKAJ-NWDGAFQWSA-N 0 0 248.297 3.581 20 0 BHADRN C[C@@H](CC(=O)O[C@H]1C=CCC1)c1ccccc1F ZINC000780547500 585780214 /nfs/dbraw/zinc/78/02/14/585780214.db2.gz NWTYUTJLNJZKAJ-RYUDHWBXSA-N 0 0 248.297 3.581 20 0 BHADRN C[C@H](CC(=O)O[C@@H]1C=CCC1)c1ccccc1F ZINC000780547502 585780164 /nfs/dbraw/zinc/78/01/64/585780164.db2.gz NWTYUTJLNJZKAJ-VXGBXAGGSA-N 0 0 248.297 3.581 20 0 BHADRN O=C(/C=C\c1ccc(Cl)cc1)O[C@@H]1C=CCC1 ZINC000780550735 585780512 /nfs/dbraw/zinc/78/05/12/585780512.db2.gz BNQAMXICGHNXFI-PGJNLMOESA-N 0 0 248.709 3.615 20 0 BHADRN O=C(/C=C/c1ccc(Cl)cc1)O[C@H]1C=CCC1 ZINC000780550741 582831724 /nfs/dbraw/zinc/83/17/24/582831724.db2.gz BNQAMXICGHNXFI-RSPDNQDQSA-N 0 0 248.709 3.615 20 0 BHADRN O=C(/C=C\c1ccc(Cl)cc1)O[C@H]1C=CCC1 ZINC000780550744 582831966 /nfs/dbraw/zinc/83/19/66/582831966.db2.gz BNQAMXICGHNXFI-SZNGSJQDSA-N 0 0 248.709 3.615 20 0 BHADRN O=C(/C=C/c1ccc(Cl)cc1)O[C@@H]1C=CCC1 ZINC000780550745 582831935 /nfs/dbraw/zinc/83/19/35/582831935.db2.gz BNQAMXICGHNXFI-UTSBKAFOSA-N 0 0 248.709 3.615 20 0 BHADRN O=C(CC/C=C/c1ccccc1)O[C@@H]1C=CCC1 ZINC000780551237 585780452 /nfs/dbraw/zinc/78/04/52/585780452.db2.gz GFARSFBXRZMXRF-GSDOMDMQSA-N 0 0 242.318 3.742 20 0 BHADRN O=C(CC/C=C\c1ccccc1)O[C@H]1C=CCC1 ZINC000780551238 585780362 /nfs/dbraw/zinc/78/03/62/585780362.db2.gz GFARSFBXRZMXRF-HGZZYMOZSA-N 0 0 242.318 3.742 20 0 BHADRN O=C(CC/C=C\c1ccccc1)O[C@@H]1C=CCC1 ZINC000780551239 585780527 /nfs/dbraw/zinc/78/05/27/585780527.db2.gz GFARSFBXRZMXRF-OZVSCIAHSA-N 0 0 242.318 3.742 20 0 BHADRN O=C(CC/C=C/c1ccccc1)O[C@H]1C=CCC1 ZINC000780551240 585780369 /nfs/dbraw/zinc/78/03/69/585780369.db2.gz GFARSFBXRZMXRF-SHBKCBRUSA-N 0 0 242.318 3.742 20 0 BHADRN CCC[C@H](C(=O)O[C@@H]1C=CCC1)c1ccccc1 ZINC000780551897 585780633 /nfs/dbraw/zinc/78/06/33/585780633.db2.gz LKRNWZLIJHFYMK-CABCVRRESA-N 0 0 244.334 3.832 20 0 BHADRN CCC[C@H](C(=O)O[C@H]1C=CCC1)c1ccccc1 ZINC000780551898 585780599 /nfs/dbraw/zinc/78/05/99/585780599.db2.gz LKRNWZLIJHFYMK-GJZGRUSLSA-N 0 0 244.334 3.832 20 0 BHADRN CCC[C@@H](C(=O)O[C@@H]1C=CCC1)c1ccccc1 ZINC000780551899 585780621 /nfs/dbraw/zinc/78/06/21/585780621.db2.gz LKRNWZLIJHFYMK-HUUCEWRRSA-N 0 0 244.334 3.832 20 0 BHADRN CCC[C@@H](C(=O)O[C@H]1C=CCC1)c1ccccc1 ZINC000780551900 585780610 /nfs/dbraw/zinc/78/06/10/585780610.db2.gz LKRNWZLIJHFYMK-LSDHHAIUSA-N 0 0 244.334 3.832 20 0 BHADRN O=C(O[C@@H]1C=CCC1)c1cc2ccccc2s1 ZINC000780551928 585780648 /nfs/dbraw/zinc/78/06/48/585780648.db2.gz MDNKSBHUEUMJBJ-LLVKDONJSA-N 0 0 244.315 3.777 20 0 BHADRN O=C(O[C@H]1C=CCC1)c1cc2ccccc2s1 ZINC000780551935 585780614 /nfs/dbraw/zinc/78/06/14/585780614.db2.gz MDNKSBHUEUMJBJ-NSHDSACASA-N 0 0 244.315 3.777 20 0 BHADRN C[C@H](CC(=O)O[C@@H]1C=CCC1)c1ccc(F)cc1 ZINC000780551937 585780691 /nfs/dbraw/zinc/78/06/91/585780691.db2.gz MENROAJVGMUIAJ-BXUZGUMPSA-N 0 0 248.297 3.581 20 0 BHADRN C[C@@H](CC(=O)O[C@H]1C=CCC1)c1ccc(F)cc1 ZINC000780551940 585780667 /nfs/dbraw/zinc/78/06/67/585780667.db2.gz MENROAJVGMUIAJ-FZMZJTMJSA-N 0 0 248.297 3.581 20 0 BHADRN C[C@H](CC(=O)O[C@H]1C=CCC1)c1ccc(F)cc1 ZINC000780551941 585780681 /nfs/dbraw/zinc/78/06/81/585780681.db2.gz 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ZINC000780715942 585783751 /nfs/dbraw/zinc/78/37/51/585783751.db2.gz MKGDICIGYUQGOV-GFCCVEGCSA-N 0 0 239.403 3.755 20 0 BHADRN C[C@@H](CNC(=O)C1(C)CCCCC1)C(C)(C)C ZINC000780715950 585783733 /nfs/dbraw/zinc/78/37/33/585783733.db2.gz MKGDICIGYUQGOV-LBPRGKRZSA-N 0 0 239.403 3.755 20 0 BHADRN CCCc1ccc(N[C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000780739939 585784063 /nfs/dbraw/zinc/78/40/63/585784063.db2.gz TYRIEEDKPSLHDE-DZGCQCFKSA-N 0 0 247.382 3.866 20 0 BHADRN CCCc1ccc(N[C@H](C)[C@H]2CCCOC2)cc1 ZINC000780739941 585784235 /nfs/dbraw/zinc/78/42/35/585784235.db2.gz TYRIEEDKPSLHDE-HIFRSBDPSA-N 0 0 247.382 3.866 20 0 BHADRN CCCc1ccc(N[C@H](C)[C@@H]2CCCOC2)cc1 ZINC000780739942 632047935 /nfs/dbraw/zinc/04/79/35/632047935.db2.gz TYRIEEDKPSLHDE-UKRRQHHQSA-N 0 0 247.382 3.866 20 0 BHADRN CCCc1ccc(N[C@@H](C)[C@H]2CCCOC2)cc1 ZINC000780739946 632047455 /nfs/dbraw/zinc/04/74/55/632047455.db2.gz TYRIEEDKPSLHDE-ZFWWWQNUSA-N 0 0 247.382 3.866 20 0 BHADRN Cc1cc(CN(C)c2ccccc2)cnc1Cl ZINC000780753365 582842218 /nfs/dbraw/zinc/84/22/18/582842218.db2.gz FSUXELRZMJTJIT-UHFFFAOYSA-N 0 0 246.741 3.680 20 0 BHADRN CC[C@H]1C[C@H](CNc2ccc(C)cc2C)CCO1 ZINC000780762440 585784311 /nfs/dbraw/zinc/78/43/11/585784311.db2.gz HVIAUZIRFPRDBQ-CABCVRRESA-N 0 0 247.382 3.921 20 0 BHADRN CC[C@H]1C[C@@H](CNc2ccc(C)cc2C)CCO1 ZINC000780762441 585784378 /nfs/dbraw/zinc/78/43/78/585784378.db2.gz HVIAUZIRFPRDBQ-GJZGRUSLSA-N 0 0 247.382 3.921 20 0 BHADRN CC[C@@H]1C[C@H](CNc2ccc(C)cc2C)CCO1 ZINC000780762442 585784381 /nfs/dbraw/zinc/78/43/81/585784381.db2.gz HVIAUZIRFPRDBQ-HUUCEWRRSA-N 0 0 247.382 3.921 20 0 BHADRN CC[C@@H]1C[C@@H](CNc2ccc(C)cc2C)CCO1 ZINC000780762443 632058247 /nfs/dbraw/zinc/05/82/47/632058247.db2.gz HVIAUZIRFPRDBQ-LSDHHAIUSA-N 0 0 247.382 3.921 20 0 BHADRN CCc1ncc(CN(C)c2ccc(C)cc2)s1 ZINC000780765976 585784632 /nfs/dbraw/zinc/78/46/32/585784632.db2.gz BCCWIPWYQOSVIZ-UHFFFAOYSA-N 0 0 246.379 3.650 20 0 BHADRN Cc1ccc2c(c1)CCCN2Cc1ccoc1 ZINC000780766623 585784545 /nfs/dbraw/zinc/78/45/45/585784545.db2.gz JDZTVAHAXTVGPT-UHFFFAOYSA-N 0 0 227.307 3.541 20 0 BHADRN COc1ccccc1CN(C)c1ccc(C)cc1 ZINC000780766730 585784721 /nfs/dbraw/zinc/78/47/21/585784721.db2.gz LNBLYCURZHGPGA-UHFFFAOYSA-N 0 0 241.334 3.640 20 0 BHADRN Cc1ccc2c(c1)CCCN2Cc1ccco1 ZINC000780767260 585784758 /nfs/dbraw/zinc/78/47/58/585784758.db2.gz SDLFCFKKQDITLE-UHFFFAOYSA-N 0 0 227.307 3.541 20 0 BHADRN Cc1ccc(N(C)Cc2ccsc2)cc1 ZINC000780767750 585784686 /nfs/dbraw/zinc/78/46/86/585784686.db2.gz WEUSEHSNAWZCFY-UHFFFAOYSA-N 0 0 217.337 3.693 20 0 BHADRN Cc1ccc(N(C)Cc2ccc(Cl)o2)cc1 ZINC000780768594 585784633 /nfs/dbraw/zinc/78/46/33/585784633.db2.gz BEUGZFSQKVOXQJ-UHFFFAOYSA-N 0 0 235.714 3.878 20 0 BHADRN C[C@@H]1CCN(Cc2ccoc2)c2ccccc21 ZINC000780768606 585784672 /nfs/dbraw/zinc/78/46/72/585784672.db2.gz WIVGBCZNNKREGI-GFCCVEGCSA-N 0 0 227.307 3.793 20 0 BHADRN C[C@H]1CCN(Cc2ccoc2)c2ccccc21 ZINC000780768608 585784778 /nfs/dbraw/zinc/78/47/78/585784778.db2.gz WIVGBCZNNKREGI-LBPRGKRZSA-N 0 0 227.307 3.793 20 0 BHADRN Cc1ccc2c(c1)CCN2Cc1ccsc1 ZINC000780768682 585784745 /nfs/dbraw/zinc/78/47/45/585784745.db2.gz CEFQGPLNTZFXKN-UHFFFAOYSA-N 0 0 229.348 3.619 20 0 BHADRN Cc1ccc(CN(C)c2ccc(C)cc2)o1 ZINC000780768947 585784766 /nfs/dbraw/zinc/78/47/66/585784766.db2.gz IHDFOCGQNXHZDC-UHFFFAOYSA-N 0 0 215.296 3.533 20 0 BHADRN COc1ccsc1CN(C)c1ccc(C)cc1 ZINC000780768967 585784619 /nfs/dbraw/zinc/78/46/19/585784619.db2.gz JTBUFKDYWUUGOQ-UHFFFAOYSA-N 0 0 247.363 3.702 20 0 BHADRN Cc1ccc2c(c1)CCN2Cc1cccs1 ZINC000780768999 585784544 /nfs/dbraw/zinc/78/45/44/585784544.db2.gz LSCGADQZWQZNRA-UHFFFAOYSA-N 0 0 229.348 3.619 20 0 BHADRN Cc1ncsc1CN(C)c1ccc(C)c(C)c1 ZINC000780769082 585784743 /nfs/dbraw/zinc/78/47/43/585784743.db2.gz BCTFYRZJVQZAOX-UHFFFAOYSA-N 0 0 246.379 3.705 20 0 BHADRN Cc1ccoc1CN(C)c1ccc(C)cc1 ZINC000780769331 585784701 /nfs/dbraw/zinc/78/47/01/585784701.db2.gz QXTPYELMKPGZBT-UHFFFAOYSA-N 0 0 215.296 3.533 20 0 BHADRN Cc1ccc(N(C)C[C@H]2CCO[C@H](C)C2)cc1C ZINC000780769392 585784711 /nfs/dbraw/zinc/78/47/11/585784711.db2.gz HHCCAYIRCRSLGC-CABCVRRESA-N 0 0 247.382 3.555 20 0 BHADRN Cc1ccc(N(C)C[C@H]2CCO[C@@H](C)C2)cc1C ZINC000780769393 585784623 /nfs/dbraw/zinc/78/46/23/585784623.db2.gz HHCCAYIRCRSLGC-GJZGRUSLSA-N 0 0 247.382 3.555 20 0 BHADRN Cc1ccc(N(C)C[C@@H]2CCO[C@H](C)C2)cc1C ZINC000780769394 585784749 /nfs/dbraw/zinc/78/47/49/585784749.db2.gz HHCCAYIRCRSLGC-HUUCEWRRSA-N 0 0 247.382 3.555 20 0 BHADRN Cc1ccc(N(C)C[C@@H]2CCO[C@@H](C)C2)cc1C ZINC000780769395 585784775 /nfs/dbraw/zinc/78/47/75/585784775.db2.gz HHCCAYIRCRSLGC-LSDHHAIUSA-N 0 0 247.382 3.555 20 0 BHADRN CC[C@@H]1C[C@H](CN(C)c2ccc(C)cc2)CCO1 ZINC000780769559 585784604 /nfs/dbraw/zinc/78/46/04/585784604.db2.gz VKIWIVGNUSLHDN-GDBMZVCRSA-N 0 0 247.382 3.636 20 0 BHADRN CC[C@@H]1C[C@@H](CN(C)c2ccc(C)cc2)CCO1 ZINC000780769560 585784585 /nfs/dbraw/zinc/78/45/85/585784585.db2.gz VKIWIVGNUSLHDN-GOEBONIOSA-N 0 0 247.382 3.636 20 0 BHADRN CC[C@H]1C[C@@H](CN(C)c2ccc(C)cc2)CCO1 ZINC000780769561 585784665 /nfs/dbraw/zinc/78/46/65/585784665.db2.gz VKIWIVGNUSLHDN-HOCLYGCPSA-N 0 0 247.382 3.636 20 0 BHADRN CC[C@H]1C[C@H](CN(C)c2ccc(C)cc2)CCO1 ZINC000780769562 585784708 /nfs/dbraw/zinc/78/47/08/585784708.db2.gz VKIWIVGNUSLHDN-ZBFHGGJFSA-N 0 0 247.382 3.636 20 0 BHADRN Cc1cc(C)cc(N(C)Cc2ccoc2)c1 ZINC000780769616 585784748 /nfs/dbraw/zinc/78/47/48/585784748.db2.gz OWGMCYVQEHKBKJ-UHFFFAOYSA-N 0 0 215.296 3.533 20 0 BHADRN Cc1ccc(N(C)Cc2cccnc2C)cc1C ZINC000780769873 585784628 /nfs/dbraw/zinc/78/46/28/585784628.db2.gz XCGKZUNYZGDACI-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1cccc2c1CCN2Cc1ccsc1 ZINC000780772388 585784562 /nfs/dbraw/zinc/78/45/62/585784562.db2.gz KFJJIWVAFUAGLZ-UHFFFAOYSA-N 0 0 229.348 3.619 20 0 BHADRN Cc1cccc2c1CCCN2Cc1ccoc1 ZINC000780773789 585784727 /nfs/dbraw/zinc/78/47/27/585784727.db2.gz BRRYWDKZHHHKFF-UHFFFAOYSA-N 0 0 227.307 3.541 20 0 BHADRN Cc1ccc2c(c1)N(Cc1ccoc1)CCC2 ZINC000780774652 585784569 /nfs/dbraw/zinc/78/45/69/585784569.db2.gz MKIUURGSNQAIRU-UHFFFAOYSA-N 0 0 227.307 3.541 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CCC1(C)C ZINC000780776166 585784734 /nfs/dbraw/zinc/78/47/34/585784734.db2.gz BVTOFVSHAYOCEM-HNNXBMFYSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CCC1(C)C ZINC000780776168 585784616 /nfs/dbraw/zinc/78/46/16/585784616.db2.gz BVTOFVSHAYOCEM-OAHLLOKOSA-N 0 0 239.403 3.994 20 0 BHADRN Cc1occc1SCCc1cccs1 ZINC000780810952 585785028 /nfs/dbraw/zinc/78/50/28/585785028.db2.gz VINZCVAJNLXESP-UHFFFAOYSA-N 0 0 224.350 3.984 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NCCC1CC1 ZINC000780814921 585785087 /nfs/dbraw/zinc/78/50/87/585785087.db2.gz MUYWJLHGKWJWLF-HNNXBMFYSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NCCC1CC1 ZINC000780814923 585785174 /nfs/dbraw/zinc/78/51/74/585785174.db2.gz MUYWJLHGKWJWLF-OAHLLOKOSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CCC[C@@H]1C ZINC000780830864 585785271 /nfs/dbraw/zinc/78/52/71/585785271.db2.gz BBBARPBXHLDQSW-DZGCQCFKSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CCC[C@H]1C ZINC000780830865 585785329 /nfs/dbraw/zinc/78/53/29/585785329.db2.gz BBBARPBXHLDQSW-HIFRSBDPSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CCC[C@H]1C ZINC000780830866 585785438 /nfs/dbraw/zinc/78/54/38/585785438.db2.gz BBBARPBXHLDQSW-UKRRQHHQSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CCC[C@@H]1C ZINC000780830867 585785255 /nfs/dbraw/zinc/78/52/55/585785255.db2.gz BBBARPBXHLDQSW-ZFWWWQNUSA-N 0 0 239.403 3.994 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NCC1(C)CC1 ZINC000780852886 585785458 /nfs/dbraw/zinc/78/54/58/585785458.db2.gz RVISCTVXKAOOBC-HNNXBMFYSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NCC1(C)CC1 ZINC000780852890 585785307 /nfs/dbraw/zinc/78/53/07/585785307.db2.gz RVISCTVXKAOOBC-OAHLLOKOSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NC1CC(C)C1 ZINC000780853640 585785244 /nfs/dbraw/zinc/78/52/44/585785244.db2.gz FNKWAYPNHUHGRB-PIMMBPRGSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NC1CC(C)C1 ZINC000780853642 585785363 /nfs/dbraw/zinc/78/53/63/585785363.db2.gz FNKWAYPNHUHGRB-SSDMNJCBSA-N 0 0 239.403 3.898 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)Cc1ccccc1C ZINC000780855251 585785277 /nfs/dbraw/zinc/78/52/77/585785277.db2.gz RKWLJAFTKWAZFS-OWBHPGMISA-N 0 0 245.366 3.700 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)Cc1ccccc1C ZINC000780855279 585785408 /nfs/dbraw/zinc/78/54/08/585785408.db2.gz RKWLJAFTKWAZFS-WYMLVPIESA-N 0 0 245.366 3.700 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000780862179 585785688 /nfs/dbraw/zinc/78/56/88/585785688.db2.gz WEUFSAPZZHUACS-KHPPLWFESA-N 0 0 242.322 3.853 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000780862182 585785667 /nfs/dbraw/zinc/78/56/67/585785667.db2.gz WEUFSAPZZHUACS-ZHACJKMWSA-N 0 0 242.322 3.853 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)CC1CCCCC1 ZINC000780874537 585785478 /nfs/dbraw/zinc/78/54/78/585785478.db2.gz FHSPLFOVEPIBSJ-OUKQBFOZSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)CC1CCCCC1 ZINC000780874538 585785685 /nfs/dbraw/zinc/78/56/85/585785685.db2.gz FHSPLFOVEPIBSJ-SEYXRHQNSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC[C@H]1c1ccccc1 ZINC000780887544 585785935 /nfs/dbraw/zinc/78/59/35/585785935.db2.gz QPJURPFIAOMAKD-LHNRBYRGSA-N 0 0 243.350 3.706 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC[C@H]1c1ccccc1 ZINC000780887546 585785896 /nfs/dbraw/zinc/78/58/96/585785896.db2.gz QPJURPFIAOMAKD-LLNWESEBSA-N 0 0 243.350 3.706 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC[C@@H]1c1ccccc1 ZINC000780887548 585785898 /nfs/dbraw/zinc/78/58/98/585785898.db2.gz QPJURPFIAOMAKD-RDRICISKSA-N 0 0 243.350 3.706 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC[C@@H]1c1ccccc1 ZINC000780887549 585785885 /nfs/dbraw/zinc/78/58/85/585785885.db2.gz QPJURPFIAOMAKD-WIDZWVOGSA-N 0 0 243.350 3.706 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NC1CC=CC1 ZINC000780896517 585785966 /nfs/dbraw/zinc/78/59/66/585785966.db2.gz CMSQMCLSNHCLKX-HNNXBMFYSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NC1CC=CC1 ZINC000780896520 585785793 /nfs/dbraw/zinc/78/57/93/585785793.db2.gz CMSQMCLSNHCLKX-OAHLLOKOSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000780905191 585786046 /nfs/dbraw/zinc/78/60/46/585786046.db2.gz NICLDXNIWXQSRP-LHNRBYRGSA-N 0 0 249.398 3.914 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000780905203 585786154 /nfs/dbraw/zinc/78/61/54/585786154.db2.gz NICLDXNIWXQSRP-LLNWESEBSA-N 0 0 249.398 3.914 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000780905205 585786127 /nfs/dbraw/zinc/78/61/27/585786127.db2.gz NICLDXNIWXQSRP-RDRICISKSA-N 0 0 249.398 3.914 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000780905207 585786118 /nfs/dbraw/zinc/78/61/18/585786118.db2.gz NICLDXNIWXQSRP-WIDZWVOGSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@@H]1CCN(c2nccs2)[C@@H](c2ccco2)C1 ZINC000780911546 585786193 /nfs/dbraw/zinc/78/61/93/585786193.db2.gz QEKZKYOLDZTQQP-GHMZBOCLSA-N 0 0 248.351 3.714 20 0 BHADRN C[C@@H]1CCN(c2nccs2)[C@H](c2ccco2)C1 ZINC000780911742 585786318 /nfs/dbraw/zinc/78/63/18/585786318.db2.gz QEKZKYOLDZTQQP-MNOVXSKESA-N 0 0 248.351 3.714 20 0 BHADRN C[C@H]1CCN(c2nccs2)[C@H](c2ccco2)C1 ZINC000780911743 585786263 /nfs/dbraw/zinc/78/62/63/585786263.db2.gz QEKZKYOLDZTQQP-QWRGUYRKSA-N 0 0 248.351 3.714 20 0 BHADRN C[C@H]1CCN(c2nccs2)[C@@H](c2ccco2)C1 ZINC000780911744 632064434 /nfs/dbraw/zinc/06/44/34/632064434.db2.gz QEKZKYOLDZTQQP-WDEREUQCSA-N 0 0 248.351 3.714 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@H]1CC(C)C ZINC000780918240 585786185 /nfs/dbraw/zinc/78/61/85/585786185.db2.gz YHDZRUUBUGOCDV-DINCDJDBSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@H]1CC(C)C ZINC000780918243 585786255 /nfs/dbraw/zinc/78/62/55/585786255.db2.gz YHDZRUUBUGOCDV-FNDVETGQSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@@H]1CC(C)C ZINC000780918246 585786188 /nfs/dbraw/zinc/78/61/88/585786188.db2.gz YHDZRUUBUGOCDV-WUFNSSIPSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@@H]1CC(C)C ZINC000780918248 585786301 /nfs/dbraw/zinc/78/63/01/585786301.db2.gz YHDZRUUBUGOCDV-XTZCOPOCSA-N 0 0 237.387 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC(C)(CC)CC1 ZINC000780919077 585786203 /nfs/dbraw/zinc/78/62/03/585786203.db2.gz FTKFDDSAIWYEAM-OUKQBFOZSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC(C)(CC)CC1 ZINC000780919078 585786377 /nfs/dbraw/zinc/78/63/77/585786377.db2.gz FTKFDDSAIWYEAM-SEYXRHQNSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000780928971 585786551 /nfs/dbraw/zinc/78/65/51/585786551.db2.gz SEVDOWCAAQRINP-GCZGRYASSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@H]1C1CCC1 ZINC000780928974 585786636 /nfs/dbraw/zinc/78/66/36/585786636.db2.gz SEVDOWCAAQRINP-GETOMWPZSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@H]1C1CCC1 ZINC000780928976 585786410 /nfs/dbraw/zinc/78/64/10/585786410.db2.gz SEVDOWCAAQRINP-NYHXXUGCSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000780928978 585786658 /nfs/dbraw/zinc/78/66/58/585786658.db2.gz SEVDOWCAAQRINP-XMXAVACDSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC2(CCCC2)CC1 ZINC000780948058 585787135 /nfs/dbraw/zinc/78/71/35/585787135.db2.gz BZLWGWNCFYMXGR-BUHFOSPRSA-N 0 0 249.398 3.916 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC2(CCCC2)CC1 ZINC000780948059 585787170 /nfs/dbraw/zinc/78/71/70/585787170.db2.gz BZLWGWNCFYMXGR-YPKPFQOOSA-N 0 0 249.398 3.916 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC(C(C)C)CC1 ZINC000780950263 585787183 /nfs/dbraw/zinc/78/71/83/585787183.db2.gz JZVIRWSLVADUMT-OUKQBFOZSA-N 0 0 237.387 3.627 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC(C(C)C)CC1 ZINC000780950264 585786961 /nfs/dbraw/zinc/78/69/61/585786961.db2.gz JZVIRWSLVADUMT-SEYXRHQNSA-N 0 0 237.387 3.627 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCCCC(C)(C)C ZINC000780951499 585786942 /nfs/dbraw/zinc/78/69/42/585786942.db2.gz YRVMWHQJRLZDST-QXMHVHEDSA-N 0 0 225.376 3.675 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCCCC(C)(C)C ZINC000780951500 585787114 /nfs/dbraw/zinc/78/71/14/585787114.db2.gz YRVMWHQJRLZDST-VAWYXSNFSA-N 0 0 225.376 3.675 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@](C)(CC)C1 ZINC000780951628 585787039 /nfs/dbraw/zinc/78/70/39/585787039.db2.gz FOEWRJBDNXVJIH-LHNRBYRGSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@](C)(CC)C1 ZINC000780951629 585787184 /nfs/dbraw/zinc/78/71/84/585787184.db2.gz FOEWRJBDNXVJIH-LLNWESEBSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CCC[C@@](C)(CC)C1 ZINC000780951630 585787091 /nfs/dbraw/zinc/78/70/91/585787091.db2.gz FOEWRJBDNXVJIH-RDRICISKSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CCC[C@@](C)(CC)C1 ZINC000780951631 585787319 /nfs/dbraw/zinc/78/73/19/585787319.db2.gz FOEWRJBDNXVJIH-WIDZWVOGSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ccc(C)c(O)c1C ZINC000780968655 585787549 /nfs/dbraw/zinc/78/75/49/585787549.db2.gz NPOUQVGPHVTGAS-LUAWRHEFSA-N 0 0 247.338 3.694 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ccc(C)c(O)c1C ZINC000780968656 585787450 /nfs/dbraw/zinc/78/74/50/585787450.db2.gz NPOUQVGPHVTGAS-PKNBQFBNSA-N 0 0 247.338 3.694 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)Nc1ccon1 ZINC000780986889 585788033 /nfs/dbraw/zinc/78/80/33/585788033.db2.gz GLAKZMBREYAPPR-CYBMUJFWSA-N 0 0 238.331 3.610 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)Nc1ccon1 ZINC000780986890 585787975 /nfs/dbraw/zinc/78/79/75/585787975.db2.gz GLAKZMBREYAPPR-ZDUSSCGKSA-N 0 0 238.331 3.610 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cc(CC)ccc1O ZINC000780993213 585788202 /nfs/dbraw/zinc/78/82/02/585788202.db2.gz PFWQMMHQAGBDLY-KHPPLWFESA-N 0 0 247.338 3.640 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cc(CC)ccc1O ZINC000780993214 585788165 /nfs/dbraw/zinc/78/81/65/585788165.db2.gz PFWQMMHQAGBDLY-ZHACJKMWSA-N 0 0 247.338 3.640 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1ncccc1C(C)C ZINC000780996085 582847016 /nfs/dbraw/zinc/84/70/16/582847016.db2.gz YKOSOJJJOJCRHY-QXMHVHEDSA-N 0 0 246.354 3.890 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1ncccc1C(C)C ZINC000780996091 582847076 /nfs/dbraw/zinc/84/70/76/582847076.db2.gz YKOSOJJJOJCRHY-VAWYXSNFSA-N 0 0 246.354 3.890 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000780999405 585788483 /nfs/dbraw/zinc/78/84/83/585788483.db2.gz OXOIIYAFJYZUNK-OUKQBFOZSA-N 0 0 249.398 3.938 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000780999423 585788415 /nfs/dbraw/zinc/78/84/15/585788415.db2.gz OXOIIYAFJYZUNK-SEYXRHQNSA-N 0 0 249.398 3.938 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CC=CCC1 ZINC000781005189 585788386 /nfs/dbraw/zinc/78/83/86/585788386.db2.gz WTYXVONDVUJHHP-HNNXBMFYSA-N 0 0 237.387 3.772 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CC=CCC1 ZINC000781005190 585788325 /nfs/dbraw/zinc/78/83/25/585788325.db2.gz WTYXVONDVUJHHP-OAHLLOKOSA-N 0 0 237.387 3.772 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000781014261 585788679 /nfs/dbraw/zinc/78/86/79/585788679.db2.gz NSZJNJCDLIEKEF-BSHRGCEOSA-N 0 0 249.398 3.772 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000781014264 585788667 /nfs/dbraw/zinc/78/86/67/585788667.db2.gz NSZJNJCDLIEKEF-MNWMYKRDSA-N 0 0 249.398 3.772 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000781014266 585788714 /nfs/dbraw/zinc/78/87/14/585788714.db2.gz NSZJNJCDLIEKEF-NXXVSJRMSA-N 0 0 249.398 3.772 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000781014268 585788603 /nfs/dbraw/zinc/78/86/03/585788603.db2.gz NSZJNJCDLIEKEF-REQDGWNSSA-N 0 0 249.398 3.772 20 0 BHADRN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@@H](C)C2)C1(C)C ZINC000781086110 585789998 /nfs/dbraw/zinc/78/99/98/585789998.db2.gz CPJWDUGZBFBJMP-AAVRWANBSA-N 0 0 249.398 3.530 20 0 BHADRN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C)C2)C1(C)C ZINC000781086114 585790024 /nfs/dbraw/zinc/79/00/24/585790024.db2.gz CPJWDUGZBFBJMP-IGQOVBAYSA-N 0 0 249.398 3.530 20 0 BHADRN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](C)C2)C1(C)C ZINC000781086119 585790154 /nfs/dbraw/zinc/79/01/54/585790154.db2.gz CPJWDUGZBFBJMP-REWJHTLYSA-N 0 0 249.398 3.530 20 0 BHADRN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@@H](C)C2)C1(C)C ZINC000781086125 585790139 /nfs/dbraw/zinc/79/01/39/585790139.db2.gz CPJWDUGZBFBJMP-XJFOESAGSA-N 0 0 249.398 3.530 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2C)C1 ZINC000781086499 585790177 /nfs/dbraw/zinc/79/01/77/585790177.db2.gz DFQAASHLZIDFQT-MQYQWHSLSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2C)C1 ZINC000781086503 585790174 /nfs/dbraw/zinc/79/01/74/585790174.db2.gz DFQAASHLZIDFQT-RFGFWPKPSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@H]2CCCC[C@@H]2C)C1 ZINC000781086505 585790045 /nfs/dbraw/zinc/79/00/45/585790045.db2.gz DFQAASHLZIDFQT-RQJABVFESA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)C[C@H]2CCCC[C@H]2C)C1 ZINC000781086506 585790112 /nfs/dbraw/zinc/79/01/12/585790112.db2.gz DFQAASHLZIDFQT-SYQHCUMBSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](C)CCCCC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000781089170 585790071 /nfs/dbraw/zinc/79/00/71/585790071.db2.gz RDFWYDDBBJSUBN-BFHYXJOUSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)CCCCC(=O)N[C@H]1CC[C@H](C)C1 ZINC000781089171 585790066 /nfs/dbraw/zinc/79/00/66/585790066.db2.gz RDFWYDDBBJSUBN-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)CCCCC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000781089172 585790006 /nfs/dbraw/zinc/79/00/06/585790006.db2.gz RDFWYDDBBJSUBN-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@H](C)CCCCC(=O)N[C@H]1CC[C@@H](C)C1 ZINC000781089173 585790167 /nfs/dbraw/zinc/79/01/67/585790167.db2.gz RDFWYDDBBJSUBN-MJBXVCDLSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000781089478 585790109 /nfs/dbraw/zinc/79/01/09/585790109.db2.gz OMRAXDVOHIPOAF-HZSPNIEDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H]1CC[C@H](C)C1 ZINC000781089479 585790028 /nfs/dbraw/zinc/79/00/28/585790028.db2.gz OMRAXDVOHIPOAF-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000781089480 585790083 /nfs/dbraw/zinc/79/00/83/585790083.db2.gz OMRAXDVOHIPOAF-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000781089481 585790192 /nfs/dbraw/zinc/79/01/92/585790192.db2.gz OMRAXDVOHIPOAF-RDBSUJKOSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC(=CC(=O)N[C@@H]1CC[C@H](C)C1)CCC ZINC000781090350 585790146 /nfs/dbraw/zinc/79/01/46/585790146.db2.gz RVSFDTUQIQXHHY-GXTWGEPZSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC(=CC(=O)N[C@H]1CC[C@H](C)C1)CCC ZINC000781090351 585790200 /nfs/dbraw/zinc/79/02/00/585790200.db2.gz RVSFDTUQIQXHHY-JSGCOSHPSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC(=CC(=O)N[C@H]1CC[C@@H](C)C1)CCC ZINC000781090352 585790132 /nfs/dbraw/zinc/79/01/32/585790132.db2.gz RVSFDTUQIQXHHY-OCCSQVGLSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC(=CC(=O)N[C@@H]1CC[C@@H](C)C1)CCC ZINC000781090353 585790023 /nfs/dbraw/zinc/79/00/23/585790023.db2.gz RVSFDTUQIQXHHY-TZMCWYRMSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000781091237 585790136 /nfs/dbraw/zinc/79/01/36/585790136.db2.gz VIZHFGLENIPDNO-BFHYXJOUSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@H]1CC[C@H](C)C1 ZINC000781091238 585790152 /nfs/dbraw/zinc/79/01/52/585790152.db2.gz VIZHFGLENIPDNO-IHRRRGAJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000781091239 585790058 /nfs/dbraw/zinc/79/00/58/585790058.db2.gz VIZHFGLENIPDNO-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@H]1CC[C@@H](C)C1 ZINC000781091240 585790096 /nfs/dbraw/zinc/79/00/96/585790096.db2.gz VIZHFGLENIPDNO-MJBXVCDLSA-N 0 0 239.403 3.898 20 0 BHADRN CCC(=CC(=O)N1CCC[C@H](C(C)C)C1)CC ZINC000781095526 585790246 /nfs/dbraw/zinc/79/02/46/585790246.db2.gz NXEDLMOIKVAIDS-AWEZNQCLSA-N 0 0 237.387 3.627 20 0 BHADRN CCC(=CC(=O)N1CCC[C@@H](C(C)C)C1)CC ZINC000781095527 585790372 /nfs/dbraw/zinc/79/03/72/585790372.db2.gz NXEDLMOIKVAIDS-CQSZACIVSA-N 0 0 237.387 3.627 20 0 BHADRN CC(C)CC(=O)OCc1ccc(Cl)cc1F ZINC000781130789 585791181 /nfs/dbraw/zinc/79/11/81/585791181.db2.gz CUPRYSXFLJHNPB-UHFFFAOYSA-N 0 0 244.693 3.568 20 0 BHADRN CCCCC(=O)OCc1ccc(Cl)cc1F ZINC000781130879 585791120 /nfs/dbraw/zinc/79/11/20/585791120.db2.gz CHJXGQUHFHVICG-UHFFFAOYSA-N 0 0 244.693 3.713 20 0 BHADRN CC(C)(C)CCCOC(=O)CCc1ccco1 ZINC000781131090 585791115 /nfs/dbraw/zinc/79/11/15/585791115.db2.gz GHACJLFBCRYDCF-UHFFFAOYSA-N 0 0 238.327 3.582 20 0 BHADRN CC(C)(C)CCCOC(=O)Cc1cccs1 ZINC000781131278 585791249 /nfs/dbraw/zinc/79/12/49/585791249.db2.gz GEYZGPCSNDRVKZ-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CC(C)(C)CCCOC(=O)Cc1ccsc1 ZINC000781131325 585791114 /nfs/dbraw/zinc/79/11/14/585791114.db2.gz GNRSZPQXVDBMQO-UHFFFAOYSA-N 0 0 240.368 3.660 20 0 BHADRN CC[C@@H](C)C(=O)OCc1ccc(Cl)cc1F ZINC000781138396 585791502 /nfs/dbraw/zinc/79/15/02/585791502.db2.gz UDWXOQGZPJDSIJ-MRVPVSSYSA-N 0 0 244.693 3.568 20 0 BHADRN CC[C@H](C)C(=O)OCc1ccc(Cl)cc1F ZINC000781138397 585791417 /nfs/dbraw/zinc/79/14/17/585791417.db2.gz UDWXOQGZPJDSIJ-QMMMGPOBSA-N 0 0 244.693 3.568 20 0 BHADRN CC[C@@H](C)c1ccc(OCc2ccnn2C)cc1 ZINC000781153143 585791682 /nfs/dbraw/zinc/79/16/82/585791682.db2.gz XRTXAQVQNPEYSL-GFCCVEGCSA-N 0 0 244.338 3.513 20 0 BHADRN CC[C@H](C)c1ccc(OCc2ccnn2C)cc1 ZINC000781153145 585791724 /nfs/dbraw/zinc/79/17/24/585791724.db2.gz XRTXAQVQNPEYSL-LBPRGKRZSA-N 0 0 244.338 3.513 20 0 BHADRN CC(C)(C)C(=O)OCc1ccc(Cl)cc1F ZINC000781157408 582850869 /nfs/dbraw/zinc/85/08/69/582850869.db2.gz ACISNMJAJRQGFP-UHFFFAOYSA-N 0 0 244.693 3.568 20 0 BHADRN CC(C)(C)CCCOC(=O)CCC(C)(F)F ZINC000781157412 585791628 /nfs/dbraw/zinc/79/16/28/585791628.db2.gz AIRUNEZUMUUNMM-UHFFFAOYSA-N 0 0 236.302 3.791 20 0 BHADRN C[C@@H](NC(=O)C1(C)CCCCCC1)c1ccc[nH]1 ZINC000781163912 585791834 /nfs/dbraw/zinc/79/18/34/585791834.db2.gz KGMNFUTYRNXQAA-GFCCVEGCSA-N 0 0 248.370 3.552 20 0 BHADRN C[C@H](NC(=O)C1(C)CCCCCC1)c1ccc[nH]1 ZINC000781163913 585791864 /nfs/dbraw/zinc/79/18/64/585791864.db2.gz KGMNFUTYRNXQAA-LBPRGKRZSA-N 0 0 248.370 3.552 20 0 BHADRN CC1(C(=O)NCCC2CCC2)CCCCCC1 ZINC000781164043 585791944 /nfs/dbraw/zinc/79/19/44/585791944.db2.gz ICNYTDOAKWHZSQ-UHFFFAOYSA-N 0 0 237.387 3.653 20 0 BHADRN Cc1cc(COC(=O)C(C)(C)C)ccc1Cl ZINC000781171950 585792076 /nfs/dbraw/zinc/79/20/76/585792076.db2.gz DURWEEVUGHYHQK-UHFFFAOYSA-N 0 0 240.730 3.738 20 0 BHADRN CSCCCCC(=O)OCCCC(C)(C)C ZINC000781180226 585792494 /nfs/dbraw/zinc/79/24/94/585792494.db2.gz YNIHBVDBXOUOSV-UHFFFAOYSA-N 0 0 246.416 3.889 20 0 BHADRN CC(C)(C)CCCOC(=O)CCC(F)(F)F ZINC000781184790 585792591 /nfs/dbraw/zinc/79/25/91/585792591.db2.gz BZGMBZKBCYNSAF-UHFFFAOYSA-N 0 0 240.265 3.698 20 0 BHADRN C[C@H](C(=O)OCCCC(C)(C)C)C(F)(F)F ZINC000781184821 585792490 /nfs/dbraw/zinc/79/24/90/585792490.db2.gz CRTUESVOQHSLKG-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN C[C@@H](C(=O)OCCCC(C)(C)C)C(F)(F)F ZINC000781184822 585792436 /nfs/dbraw/zinc/79/24/36/585792436.db2.gz CRTUESVOQHSLKG-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN C[C@@H](C(=O)OCCCC(C)(C)C)c1ccco1 ZINC000781186553 585792396 /nfs/dbraw/zinc/79/23/96/585792396.db2.gz JKACGQIUJJSNHK-LLVKDONJSA-N 0 0 238.327 3.753 20 0 BHADRN C[C@H](C(=O)OCCCC(C)(C)C)c1ccco1 ZINC000781186554 585792459 /nfs/dbraw/zinc/79/24/59/585792459.db2.gz JKACGQIUJJSNHK-NSHDSACASA-N 0 0 238.327 3.753 20 0 BHADRN CC(C)(C)CCCOC(=O)CCc1ccoc1 ZINC000781191990 585792641 /nfs/dbraw/zinc/79/26/41/585792641.db2.gz GQCUWEIJGGMQAH-UHFFFAOYSA-N 0 0 238.327 3.582 20 0 BHADRN CCC1(C(=O)OCCCC(C)(C)C)CC1 ZINC000781193604 585792922 /nfs/dbraw/zinc/79/29/22/585792922.db2.gz XMANOPZBKMDTNW-UHFFFAOYSA-N 0 0 212.333 3.546 20 0 BHADRN Cc1ccc(CC(=O)OCCCC(C)(C)C)o1 ZINC000781194081 585793041 /nfs/dbraw/zinc/79/30/41/585793041.db2.gz DQHONWUCOOKZEB-UHFFFAOYSA-N 0 0 238.327 3.500 20 0 BHADRN CC(C)=CC(=O)Nc1ccc2sc(C)nc2c1 ZINC000781200637 585793108 /nfs/dbraw/zinc/79/31/08/585793108.db2.gz RUORZJYJRWPDFZ-UHFFFAOYSA-N 0 0 246.335 3.509 20 0 BHADRN CCCCC(=O)Nc1ccc2sc(C)nc2c1 ZINC000781201391 585793230 /nfs/dbraw/zinc/79/32/30/585793230.db2.gz CVJVJMRBPDBRFH-UHFFFAOYSA-N 0 0 248.351 3.733 20 0 BHADRN CCc1ccnc(C(=O)OCCCC(C)(C)C)c1 ZINC000781202262 585793210 /nfs/dbraw/zinc/79/32/10/585793210.db2.gz NMWMMTABNBWRRE-UHFFFAOYSA-N 0 0 249.354 3.627 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc2sc(C)nc2c1 ZINC000781202710 585793078 /nfs/dbraw/zinc/79/30/78/585793078.db2.gz LYSSEYKUBQHMLJ-MRVPVSSYSA-N 0 0 248.351 3.589 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc2sc(C)nc2c1 ZINC000781202712 585793165 /nfs/dbraw/zinc/79/31/65/585793165.db2.gz LYSSEYKUBQHMLJ-QMMMGPOBSA-N 0 0 248.351 3.589 20 0 BHADRN CCc1cccnc1C(=O)OCCCC(C)(C)C ZINC000781204006 585793090 /nfs/dbraw/zinc/79/30/90/585793090.db2.gz XZEDKVPQYYFSAJ-UHFFFAOYSA-N 0 0 249.354 3.627 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc2sc(C)nc2c1 ZINC000781205478 585793106 /nfs/dbraw/zinc/79/31/06/585793106.db2.gz QCBPYEITBDBZSH-XBXARRHUSA-N 0 0 246.335 3.509 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc2sc(C)nc2c1 ZINC000781205479 585793094 /nfs/dbraw/zinc/79/30/94/585793094.db2.gz QCBPYEITBDBZSH-YWEYNIOJSA-N 0 0 246.335 3.509 20 0 BHADRN CC(C)(C)CCCOC(=O)[C@H]1CCCCS1 ZINC000781207324 585793282 /nfs/dbraw/zinc/79/32/82/585793282.db2.gz WEGWXDQXGFPYLT-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CC(C)(C)CCCOC(=O)[C@@H]1CCCCS1 ZINC000781207325 585793324 /nfs/dbraw/zinc/79/33/24/585793324.db2.gz WEGWXDQXGFPYLT-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CC(C)OCCCC(=O)OCCCC(C)(C)C ZINC000781207346 582852310 /nfs/dbraw/zinc/85/23/10/582852310.db2.gz WXVAALYPVIWPFJ-UHFFFAOYSA-N 0 0 244.375 3.561 20 0 BHADRN Cc1cnc(C(=O)OCCCC(C)(C)C)c(C)c1 ZINC000781207377 585793263 /nfs/dbraw/zinc/79/32/63/585793263.db2.gz YEMKCHNEZKAATG-UHFFFAOYSA-N 0 0 249.354 3.682 20 0 BHADRN CC(C)(C)CCCOC(=O)C1(F)CCCC1 ZINC000781209464 585793414 /nfs/dbraw/zinc/79/34/14/585793414.db2.gz ZDWRLFDQEBZMKZ-UHFFFAOYSA-N 0 0 230.323 3.638 20 0 BHADRN CCCCCCOC(=O)c1csc(Cl)n1 ZINC000781213399 585793501 /nfs/dbraw/zinc/79/35/01/585793501.db2.gz YTIABDAFEDISKZ-UHFFFAOYSA-N 0 0 247.747 3.534 20 0 BHADRN CCCCC(=O)OCc1ccccc1SC ZINC000781218128 585793167 /nfs/dbraw/zinc/79/31/67/585793167.db2.gz LSZPQGPNEXTQRK-UHFFFAOYSA-N 0 0 238.352 3.642 20 0 BHADRN C/C=C/C=C/C(=O)OCc1ccccc1SC ZINC000781219655 585793550 /nfs/dbraw/zinc/79/35/50/585793550.db2.gz ZVJWYKQQDGFBGX-COBAKMAKSA-N 0 0 248.347 3.584 20 0 BHADRN C/C=C/C=C\C(=O)OCc1ccccc1SC ZINC000781219656 585793665 /nfs/dbraw/zinc/79/36/65/585793665.db2.gz ZVJWYKQQDGFBGX-STMOGGTPSA-N 0 0 248.347 3.584 20 0 BHADRN CSc1ccccc1COC(=O)C=C1CCC1 ZINC000781248874 585793780 /nfs/dbraw/zinc/79/37/80/585793780.db2.gz MCZNGLQGNGTPDY-UHFFFAOYSA-N 0 0 248.347 3.562 20 0 BHADRN CSc1ccccc1COC(=O)C1=CCCC1 ZINC000781249433 585793679 /nfs/dbraw/zinc/79/36/79/585793679.db2.gz PEVLWHAVQFMVBU-UHFFFAOYSA-N 0 0 248.347 3.562 20 0 BHADRN C[C@@H](OC(=O)C1(C)CCCCC1)c1ccncc1 ZINC000781265942 585794060 /nfs/dbraw/zinc/79/40/60/585794060.db2.gz GAZHCYJKZLJMCP-GFCCVEGCSA-N 0 0 247.338 3.656 20 0 BHADRN C[C@H](OC(=O)C1(C)CCCCC1)c1ccncc1 ZINC000781265943 585794077 /nfs/dbraw/zinc/79/40/77/585794077.db2.gz GAZHCYJKZLJMCP-LBPRGKRZSA-N 0 0 247.338 3.656 20 0 BHADRN CC1(C(=O)O[C@@H]2C=CCCC2)CCCCC1 ZINC000781266666 585793927 /nfs/dbraw/zinc/79/39/27/585793927.db2.gz RHJOYWAZCMITSS-GFCCVEGCSA-N 0 0 222.328 3.609 20 0 BHADRN CC1(C(=O)O[C@H]2C=CCCC2)CCCCC1 ZINC000781266667 585794033 /nfs/dbraw/zinc/79/40/33/585794033.db2.gz RHJOYWAZCMITSS-LBPRGKRZSA-N 0 0 222.328 3.609 20 0 BHADRN CSCCCOC(=O)C1(C)CCCCCC1 ZINC000781298736 585794586 /nfs/dbraw/zinc/79/45/86/585794586.db2.gz AJJYUYLWVYDQKV-UHFFFAOYSA-N 0 0 244.400 3.643 20 0 BHADRN CC1(C(=O)OC/C=C/Cl)CCCCCC1 ZINC000781300107 585794548 /nfs/dbraw/zinc/79/45/48/585794548.db2.gz CYTWHMFALXMIIV-RMKNXTFCSA-N 0 0 230.735 3.643 20 0 BHADRN CC1(C(=O)OC/C=C\Cl)CCCCCC1 ZINC000781300148 585794687 /nfs/dbraw/zinc/79/46/87/585794687.db2.gz CYTWHMFALXMIIV-TWGQIWQCSA-N 0 0 230.735 3.643 20 0 BHADRN Cc1cc(Cl)c(C(=O)OCC2CC2)cc1C ZINC000781311229 585794603 /nfs/dbraw/zinc/79/46/03/585794603.db2.gz YINIPCZOCKTRHT-UHFFFAOYSA-N 0 0 238.714 3.524 20 0 BHADRN CCCOC(=O)c1cc(C)c(C)cc1Cl ZINC000781313417 585794654 /nfs/dbraw/zinc/79/46/54/585794654.db2.gz HPGAMXFWCGFCBP-UHFFFAOYSA-N 0 0 226.703 3.524 20 0 BHADRN Cc1cc(C(=O)O[C@@H](C)c2ccc(F)cc2)co1 ZINC000781371035 585795172 /nfs/dbraw/zinc/79/51/72/585795172.db2.gz PJFJDWXLLHJABA-JTQLQIEISA-N 0 0 248.253 3.645 20 0 BHADRN Cc1cc(C(=O)O[C@H](C)c2ccc(F)cc2)co1 ZINC000781371038 585795084 /nfs/dbraw/zinc/79/50/84/585795084.db2.gz PJFJDWXLLHJABA-SNVBAGLBSA-N 0 0 248.253 3.645 20 0 BHADRN Cc1cc(C(=O)OC[C@@H](C)c2ccccc2)co1 ZINC000781372351 585795345 /nfs/dbraw/zinc/79/53/45/585795345.db2.gz QCNACKLVHWUKNS-LLVKDONJSA-N 0 0 244.290 3.549 20 0 BHADRN Cc1cc(C(=O)OC[C@H](C)c2ccccc2)co1 ZINC000781372352 585795416 /nfs/dbraw/zinc/79/54/16/585795416.db2.gz QCNACKLVHWUKNS-NSHDSACASA-N 0 0 244.290 3.549 20 0 BHADRN Cc1cc(C(=O)O[C@@H](C)c2cccc(F)c2)co1 ZINC000781372894 585795319 /nfs/dbraw/zinc/79/53/19/585795319.db2.gz UOQOGCXLJDMZGB-JTQLQIEISA-N 0 0 248.253 3.645 20 0 BHADRN Cc1cc(C(=O)O[C@H](C)c2cccc(F)c2)co1 ZINC000781372895 585795360 /nfs/dbraw/zinc/79/53/60/585795360.db2.gz UOQOGCXLJDMZGB-SNVBAGLBSA-N 0 0 248.253 3.645 20 0 BHADRN CC[C@H](OC(=O)c1coc(C)c1)c1ccccc1 ZINC000781378590 585795328 /nfs/dbraw/zinc/79/53/28/585795328.db2.gz YSHOESNUQJMGHC-AWEZNQCLSA-N 0 0 244.290 3.896 20 0 BHADRN CC[C@@H](OC(=O)c1coc(C)c1)c1ccccc1 ZINC000781378591 585795359 /nfs/dbraw/zinc/79/53/59/585795359.db2.gz YSHOESNUQJMGHC-CQSZACIVSA-N 0 0 244.290 3.896 20 0 BHADRN Cc1cc(C(=O)O[C@@H](C)c2ccccc2F)co1 ZINC000781380957 585795364 /nfs/dbraw/zinc/79/53/64/585795364.db2.gz RKICRNKJDTYCLA-JTQLQIEISA-N 0 0 248.253 3.645 20 0 BHADRN Cc1cc(C(=O)O[C@H](C)c2ccccc2F)co1 ZINC000781380958 585795269 /nfs/dbraw/zinc/79/52/69/585795269.db2.gz RKICRNKJDTYCLA-SNVBAGLBSA-N 0 0 248.253 3.645 20 0 BHADRN Cc1nc2cc(NCc3cc[nH]c3)ccc2s1 ZINC000781416818 585795772 /nfs/dbraw/zinc/79/57/72/585795772.db2.gz MEMUNESOABOFJZ-UHFFFAOYSA-N 0 0 243.335 3.545 20 0 BHADRN Cc1nc2cc(NCc3ccoc3)ccc2s1 ZINC000781416871 585795780 /nfs/dbraw/zinc/79/57/80/585795780.db2.gz NLYLOMKRSGICIY-UHFFFAOYSA-N 0 0 244.319 3.810 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)OC[C@H](C)OC ZINC000781434755 585795902 /nfs/dbraw/zinc/79/59/02/585795902.db2.gz CBXFLVAIRRLETJ-GXTWGEPZSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)OC[C@H](C)OC ZINC000781434763 585795919 /nfs/dbraw/zinc/79/59/19/585795919.db2.gz CBXFLVAIRRLETJ-JSGCOSHPSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)OC[C@@H](C)OC ZINC000781434766 585796094 /nfs/dbraw/zinc/79/60/94/585796094.db2.gz CBXFLVAIRRLETJ-OCCSQVGLSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)OC[C@@H](C)OC ZINC000781434768 585795971 /nfs/dbraw/zinc/79/59/71/585795971.db2.gz CBXFLVAIRRLETJ-TZMCWYRMSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)OCC(=O)CC ZINC000781437262 585796050 /nfs/dbraw/zinc/79/60/50/585796050.db2.gz OFYHHLSBBMUABN-AWEZNQCLSA-N 0 0 242.359 3.505 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)OCC(=O)CC ZINC000781437267 585796004 /nfs/dbraw/zinc/79/60/04/585796004.db2.gz OFYHHLSBBMUABN-CQSZACIVSA-N 0 0 242.359 3.505 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)O[C@@H](C)C(C)=O ZINC000781438212 585796042 /nfs/dbraw/zinc/79/60/42/585796042.db2.gz UUSWYFSLAUFCAE-GXTWGEPZSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)O[C@@H](C)C(C)=O ZINC000781438214 585795992 /nfs/dbraw/zinc/79/59/92/585795992.db2.gz UUSWYFSLAUFCAE-JSGCOSHPSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)O[C@H](C)C(C)=O ZINC000781438215 585795887 /nfs/dbraw/zinc/79/58/87/585795887.db2.gz UUSWYFSLAUFCAE-OCCSQVGLSA-N 0 0 242.359 3.504 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)O[C@H](C)C(C)=O ZINC000781438217 585795881 /nfs/dbraw/zinc/79/58/81/585795881.db2.gz UUSWYFSLAUFCAE-TZMCWYRMSA-N 0 0 242.359 3.504 20 0 BHADRN CC1(C(=O)Oc2ccccc2F)CCCCC1 ZINC000781444326 585796077 /nfs/dbraw/zinc/79/60/77/585796077.db2.gz IGLBKYSDGNAKKQ-UHFFFAOYSA-N 0 0 236.286 3.702 20 0 BHADRN Cc1cc(C(=O)Oc2ccccc2C(C)C)co1 ZINC000781446113 582856834 /nfs/dbraw/zinc/85/68/34/582856834.db2.gz IJRCWHVONYFSTF-UHFFFAOYSA-N 0 0 244.290 3.931 20 0 BHADRN CC1(C(=O)OCc2ccoc2)CCCCCC1 ZINC000781446529 585795934 /nfs/dbraw/zinc/79/59/34/585795934.db2.gz BAEUQMWTXQICGL-UHFFFAOYSA-N 0 0 236.311 3.683 20 0 BHADRN CC1(C(=O)OCc2cccs2)CCCCC1 ZINC000781451546 585796240 /nfs/dbraw/zinc/79/62/40/585796240.db2.gz KSYWXHHJSCLCRF-UHFFFAOYSA-N 0 0 238.352 3.762 20 0 BHADRN C/C=C/C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000781459452 585796255 /nfs/dbraw/zinc/79/62/55/585796255.db2.gz RQLCSESNTSHAFP-JHSWMASBSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C/C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000781459453 585796281 /nfs/dbraw/zinc/79/62/81/585796281.db2.gz RQLCSESNTSHAFP-MVTQWGDUSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C\C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000781459454 585796317 /nfs/dbraw/zinc/79/63/17/585796317.db2.gz RQLCSESNTSHAFP-WFMXKNRHSA-N 0 0 237.387 3.674 20 0 BHADRN C/C=C\C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000781459455 585796209 /nfs/dbraw/zinc/79/62/09/585796209.db2.gz RQLCSESNTSHAFP-XEBOPQQMSA-N 0 0 237.387 3.674 20 0 BHADRN Cc1cc(C(=O)O[C@@H](C)c2ccccc2C)co1 ZINC000781463560 585796434 /nfs/dbraw/zinc/79/64/34/585796434.db2.gz TUDRVQMJWWUJGK-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cc(Cl)c(C(=O)OC2CCC2)cc1C ZINC000781464097 585796415 /nfs/dbraw/zinc/79/64/15/585796415.db2.gz RZUODYUJDXYDJE-UHFFFAOYSA-N 0 0 238.714 3.666 20 0 BHADRN CC1(C(=O)O[C@@H]2C=CCC2)CCCCCC1 ZINC000781470019 585796549 /nfs/dbraw/zinc/79/65/49/585796549.db2.gz NBXWDKNBZOCOLD-GFCCVEGCSA-N 0 0 222.328 3.609 20 0 BHADRN CC1(C(=O)O[C@H]2C=CCC2)CCCCCC1 ZINC000781470053 585796567 /nfs/dbraw/zinc/79/65/67/585796567.db2.gz NBXWDKNBZOCOLD-LBPRGKRZSA-N 0 0 222.328 3.609 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)O[C@@H](C)COC ZINC000781474305 585796688 /nfs/dbraw/zinc/79/66/88/585796688.db2.gz LDFZEPBXEJROLG-GXTWGEPZSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)O[C@@H](C)COC ZINC000781474306 585796566 /nfs/dbraw/zinc/79/65/66/585796566.db2.gz LDFZEPBXEJROLG-JSGCOSHPSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)O[C@H](C)COC ZINC000781474307 585796559 /nfs/dbraw/zinc/79/65/59/585796559.db2.gz LDFZEPBXEJROLG-OCCSQVGLSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)O[C@H](C)COC ZINC000781474308 585796717 /nfs/dbraw/zinc/79/67/17/585796717.db2.gz LDFZEPBXEJROLG-TZMCWYRMSA-N 0 0 244.375 3.561 20 0 BHADRN Cc1occc1COC(=O)C1(C)CCCCC1 ZINC000781475087 585796727 /nfs/dbraw/zinc/79/67/27/585796727.db2.gz VDBBXEBTSYRZDG-UHFFFAOYSA-N 0 0 236.311 3.602 20 0 BHADRN Cc1ncccc1C(=O)OCC1CCCCCC1 ZINC000781480584 585797112 /nfs/dbraw/zinc/79/71/12/585797112.db2.gz AODVLBNAMAVSAZ-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN Cc1ccncc1C(=O)OCC1CCCCCC1 ZINC000781481076 585797106 /nfs/dbraw/zinc/79/71/06/585797106.db2.gz HUROCBAARDSAJR-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN Cc1cc(C(=O)O[C@H](C)c2cccc(C)c2)co1 ZINC000781482679 585797122 /nfs/dbraw/zinc/79/71/22/585797122.db2.gz YCEFIVXAZOSCMX-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cc(C(=O)O[C@@H](C)c2cccc(C)c2)co1 ZINC000781482682 585797064 /nfs/dbraw/zinc/79/70/64/585797064.db2.gz YCEFIVXAZOSCMX-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1ccc(C(=O)OCC2CCCCCC2)nc1 ZINC000781483037 585797094 /nfs/dbraw/zinc/79/70/94/585797094.db2.gz ULMVGOVGJOLOHU-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN CS[C@H](C)CC(=O)OCC1CCCCCC1 ZINC000781483054 585796951 /nfs/dbraw/zinc/79/69/51/585796951.db2.gz UVTQHJRETKLGLL-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CS[C@@H](C)CC(=O)OCC1CCCCCC1 ZINC000781483057 585797081 /nfs/dbraw/zinc/79/70/81/585797081.db2.gz UVTQHJRETKLGLL-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN Cc1ccc(C(=O)OCC2CCCCCC2)cn1 ZINC000781483177 585797100 /nfs/dbraw/zinc/79/71/00/585797100.db2.gz LNVARAUCQBCZAD-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN Cc1cncc(C(=O)OCC2CCCCCC2)c1 ZINC000781483515 585797183 /nfs/dbraw/zinc/79/71/83/585797183.db2.gz WLKRBBNAYVDIDQ-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN O=C(OCC1CCCCCC1)C1CC(F)(F)C1 ZINC000781483937 585797237 /nfs/dbraw/zinc/79/72/37/585797237.db2.gz ZEARYOABECKVAJ-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN CC(F)(F)CCC(=O)OCC1CCCCCC1 ZINC000781484277 585797280 /nfs/dbraw/zinc/79/72/80/585797280.db2.gz LZULRRYFIRAIJK-UHFFFAOYSA-N 0 0 248.313 3.935 20 0 BHADRN Cc1cccnc1C(=O)OCC1CCCCCC1 ZINC000781484375 585797311 /nfs/dbraw/zinc/79/73/11/585797311.db2.gz TUUUOWLNMPNXFB-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN Cc1cccc(C(=O)OCC2CCCCCC2)n1 ZINC000781486476 585797301 /nfs/dbraw/zinc/79/73/01/585797301.db2.gz WJBCFELZNJVKAT-UHFFFAOYSA-N 0 0 247.338 3.517 20 0 BHADRN CC1(C(=O)OCc2ccsc2)CCCCC1 ZINC000781489072 585797519 /nfs/dbraw/zinc/79/75/19/585797519.db2.gz GRSAGJTUHJCDJJ-UHFFFAOYSA-N 0 0 238.352 3.762 20 0 BHADRN CC(C)S[C@H]1CCCC[C@H]1OC(=O)C(C)C ZINC000781490932 585797582 /nfs/dbraw/zinc/79/75/82/585797582.db2.gz GOBFIKHUSTWRQG-NEPJUHHUSA-N 0 0 244.400 3.638 20 0 BHADRN CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)C(C)C ZINC000781490933 585797565 /nfs/dbraw/zinc/79/75/65/585797565.db2.gz GOBFIKHUSTWRQG-NWDGAFQWSA-N 0 0 244.400 3.638 20 0 BHADRN CC(C)S[C@H]1CCCC[C@@H]1OC(=O)C(C)C ZINC000781490934 585797589 /nfs/dbraw/zinc/79/75/89/585797589.db2.gz GOBFIKHUSTWRQG-RYUDHWBXSA-N 0 0 244.400 3.638 20 0 BHADRN CC(C)S[C@@H]1CCCC[C@H]1OC(=O)C(C)C ZINC000781490935 585797418 /nfs/dbraw/zinc/79/74/18/585797418.db2.gz GOBFIKHUSTWRQG-VXGBXAGGSA-N 0 0 244.400 3.638 20 0 BHADRN CCCC(=O)O[C@@H]1CCCC[C@@H]1SC(C)C ZINC000781491310 585797508 /nfs/dbraw/zinc/79/75/08/585797508.db2.gz ARDFGEDTGRODIR-NEPJUHHUSA-N 0 0 244.400 3.783 20 0 BHADRN CCCC(=O)O[C@H]1CCCC[C@H]1SC(C)C ZINC000781491312 585797581 /nfs/dbraw/zinc/79/75/81/585797581.db2.gz ARDFGEDTGRODIR-NWDGAFQWSA-N 0 0 244.400 3.783 20 0 BHADRN CCCC(=O)O[C@H]1CCCC[C@@H]1SC(C)C ZINC000781491313 585797559 /nfs/dbraw/zinc/79/75/59/585797559.db2.gz ARDFGEDTGRODIR-RYUDHWBXSA-N 0 0 244.400 3.783 20 0 BHADRN CCCC(=O)O[C@@H]1CCCC[C@H]1SC(C)C ZINC000781491314 585797476 /nfs/dbraw/zinc/79/74/76/585797476.db2.gz ARDFGEDTGRODIR-VXGBXAGGSA-N 0 0 244.400 3.783 20 0 BHADRN Cc1cc(C(=O)O[C@H](C)c2ccccc2C)co1 ZINC000781511254 585797913 /nfs/dbraw/zinc/79/79/13/585797913.db2.gz TUDRVQMJWWUJGK-GFCCVEGCSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1cc(C(=O)O[C@@H](C)c2ccc(C)cc2)co1 ZINC000781517301 585798115 /nfs/dbraw/zinc/79/81/15/585798115.db2.gz WYJKKHXSDMHMNQ-LBPRGKRZSA-N 0 0 244.290 3.814 20 0 BHADRN C[C@@H](OC(=O)C1(C)CCCCC1)c1ccco1 ZINC000781528043 585798168 /nfs/dbraw/zinc/79/81/68/585798168.db2.gz ZJVJCZRCAITPEL-LLVKDONJSA-N 0 0 236.311 3.854 20 0 BHADRN C[C@H](OC(=O)C1(C)CCCCC1)c1ccco1 ZINC000781528044 585798206 /nfs/dbraw/zinc/79/82/06/585798206.db2.gz ZJVJCZRCAITPEL-NSHDSACASA-N 0 0 236.311 3.854 20 0 BHADRN CSC(C)(C)COC(=O)C1(C)CCCCC1 ZINC000781537978 585798063 /nfs/dbraw/zinc/79/80/63/585798063.db2.gz KRVQLUUIYDWESD-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN Cc1cc2cc[nH]c2cc1NC(=O)C=C1CCC1 ZINC000781538375 585798167 /nfs/dbraw/zinc/79/81/67/585798167.db2.gz DGCMCBBTNYLOBF-UHFFFAOYSA-N 0 0 240.306 3.525 20 0 BHADRN CC/C=C(\C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000781539581 585798179 /nfs/dbraw/zinc/79/81/79/585798179.db2.gz PWGBJHRRQBBFRZ-BJMVGYQFSA-N 0 0 242.322 3.771 20 0 BHADRN CC/C=C(/C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000781539586 585798151 /nfs/dbraw/zinc/79/81/51/585798151.db2.gz PWGBJHRRQBBFRZ-YHYXMXQVSA-N 0 0 242.322 3.771 20 0 BHADRN Cc1cccc(OC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000781545023 585798271 /nfs/dbraw/zinc/79/82/71/585798271.db2.gz ALMVGRLRGRKKFI-GFCCVEGCSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1cccc(OC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000781545026 585798427 /nfs/dbraw/zinc/79/84/27/585798427.db2.gz ALMVGRLRGRKKFI-LBPRGKRZSA-N 0 0 232.323 3.727 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000781545350 585798304 /nfs/dbraw/zinc/79/83/04/585798304.db2.gz GGXOJAXUVUAYIL-UHFFFAOYSA-N 0 0 242.322 3.771 20 0 BHADRN Cc1ccc(OC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC000781545687 585798333 /nfs/dbraw/zinc/79/83/33/585798333.db2.gz FMIIFTKTLPQCCN-GFCCVEGCSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1ccc(OC(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC000781545688 585798275 /nfs/dbraw/zinc/79/82/75/585798275.db2.gz FMIIFTKTLPQCCN-LBPRGKRZSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1ccccc1OC(=O)[C@@H]1CCC(C)(C)C1 ZINC000781546355 585798233 /nfs/dbraw/zinc/79/82/33/585798233.db2.gz KVDBYSJQYGZSFM-GFCCVEGCSA-N 0 0 232.323 3.727 20 0 BHADRN Cc1ccccc1OC(=O)[C@H]1CCC(C)(C)C1 ZINC000781546356 585798176 /nfs/dbraw/zinc/79/81/76/585798176.db2.gz KVDBYSJQYGZSFM-LBPRGKRZSA-N 0 0 232.323 3.727 20 0 BHADRN CC1(C)CC[C@H](C(=O)Oc2ccc(F)cc2)C1 ZINC000781546964 585798325 /nfs/dbraw/zinc/79/83/25/585798325.db2.gz NTPKBMPMLDBNHA-JTQLQIEISA-N 0 0 236.286 3.557 20 0 BHADRN CC1(C)CC[C@@H](C(=O)Oc2ccc(F)cc2)C1 ZINC000781546967 585798287 /nfs/dbraw/zinc/79/82/87/585798287.db2.gz NTPKBMPMLDBNHA-SNVBAGLBSA-N 0 0 236.286 3.557 20 0 BHADRN CC1(C)CC[C@H](C(=O)Oc2ccccc2F)C1 ZINC000781547050 585798324 /nfs/dbraw/zinc/79/83/24/585798324.db2.gz OPJHRIPCHVJSOY-JTQLQIEISA-N 0 0 236.286 3.557 20 0 BHADRN CC1(C)CC[C@@H](C(=O)Oc2ccccc2F)C1 ZINC000781547054 585798241 /nfs/dbraw/zinc/79/82/41/585798241.db2.gz OPJHRIPCHVJSOY-SNVBAGLBSA-N 0 0 236.286 3.557 20 0 BHADRN CC1(C)CC[C@H](C(=O)Oc2cccc(F)c2)C1 ZINC000781549248 585798262 /nfs/dbraw/zinc/79/82/62/585798262.db2.gz OTDFDSDSKMZAMN-JTQLQIEISA-N 0 0 236.286 3.557 20 0 BHADRN CC1(C)CC[C@@H](C(=O)Oc2cccc(F)c2)C1 ZINC000781549250 585798294 /nfs/dbraw/zinc/79/82/94/585798294.db2.gz OTDFDSDSKMZAMN-SNVBAGLBSA-N 0 0 236.286 3.557 20 0 BHADRN CCC/C=C/C(=O)Nc1cc2[nH]ccc2cc1C ZINC000781550979 585798372 /nfs/dbraw/zinc/79/83/72/585798372.db2.gz GCUDVIMUCFRXDP-AATRIKPKSA-N 0 0 242.322 3.771 20 0 BHADRN CCC/C=C\C(=O)Nc1cc2[nH]ccc2cc1C ZINC000781550980 585798302 /nfs/dbraw/zinc/79/83/02/585798302.db2.gz GCUDVIMUCFRXDP-WAYWQWQTSA-N 0 0 242.322 3.771 20 0 BHADRN CCCCCCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000781551838 585798380 /nfs/dbraw/zinc/79/83/80/585798380.db2.gz NHVQYYQSMIRELW-GFCCVEGCSA-N 0 0 225.376 3.509 20 0 BHADRN CCCCCCNC(=O)[C@H]1CCC(C)(C)C1 ZINC000781551842 585798394 /nfs/dbraw/zinc/79/83/94/585798394.db2.gz NHVQYYQSMIRELW-LBPRGKRZSA-N 0 0 225.376 3.509 20 0 BHADRN CC1(C)CC[C@@H](C(=O)OCc2ccccc2)C1 ZINC000781552785 585798650 /nfs/dbraw/zinc/79/86/50/585798650.db2.gz ZPTBORDNXIUMIK-CYBMUJFWSA-N 0 0 232.323 3.556 20 0 BHADRN CC1(C)CC[C@H](C(=O)OCc2ccccc2)C1 ZINC000781552786 585798566 /nfs/dbraw/zinc/79/85/66/585798566.db2.gz ZPTBORDNXIUMIK-ZDUSSCGKSA-N 0 0 232.323 3.556 20 0 BHADRN CC1(C)CC[C@@H](C(=O)N2CCCCCCC2)C1 ZINC000781556105 585798610 /nfs/dbraw/zinc/79/86/10/585798610.db2.gz LNLSWOFBQWPCAI-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CC1(C)CC[C@H](C(=O)N2CCCCCCC2)C1 ZINC000781556106 585798537 /nfs/dbraw/zinc/79/85/37/585798537.db2.gz LNLSWOFBQWPCAI-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000781558786 585798531 /nfs/dbraw/zinc/79/85/31/585798531.db2.gz ZOAWPZYAKQPGGG-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000781558787 585798598 /nfs/dbraw/zinc/79/85/98/585798598.db2.gz ZOAWPZYAKQPGGG-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000781558788 585798680 /nfs/dbraw/zinc/79/86/80/585798680.db2.gz ZOAWPZYAKQPGGG-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000781558789 585798603 /nfs/dbraw/zinc/79/86/03/585798603.db2.gz ZOAWPZYAKQPGGG-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN CSC1(C(=O)OC2CCCCCC2)CCC1 ZINC000781583390 585799813 /nfs/dbraw/zinc/79/98/13/585799813.db2.gz HQVMNKKACCUBOV-UHFFFAOYSA-N 0 0 242.384 3.538 20 0 BHADRN CCCCCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000781609263 585800420 /nfs/dbraw/zinc/80/04/20/585800420.db2.gz WMTHTEJSJFWSPG-CHWSQXEVSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000781609264 585800308 /nfs/dbraw/zinc/80/03/08/585800308.db2.gz WMTHTEJSJFWSPG-OLZOCXBDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000781609265 585800476 /nfs/dbraw/zinc/80/04/76/585800476.db2.gz WMTHTEJSJFWSPG-QWHCGFSZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC(C)(C)C(=O)N[C@H]1CC[C@H](C)C1 ZINC000781609266 585800361 /nfs/dbraw/zinc/80/03/61/585800361.db2.gz WMTHTEJSJFWSPG-STQMWFEESA-N 0 0 239.403 3.898 20 0 BHADRN C[C@@H](CC(=O)N[C@H]1CC[C@@H](C)C1)CC(C)(C)C ZINC000781611248 585800478 /nfs/dbraw/zinc/80/04/78/585800478.db2.gz IQDXYKHKSKHZGE-AGIUHOORSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@@H](CC(=O)N[C@@H]1CC[C@@H](C)C1)CC(C)(C)C ZINC000781611249 585800424 /nfs/dbraw/zinc/80/04/24/585800424.db2.gz IQDXYKHKSKHZGE-FRRDWIJNSA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1CC[C@@H](C)C1)CC(C)(C)C ZINC000781611250 582863852 /nfs/dbraw/zinc/86/38/52/582863852.db2.gz IQDXYKHKSKHZGE-JHJVBQTASA-N 0 0 239.403 3.754 20 0 BHADRN C[C@H](CC(=O)N[C@H]1CC[C@@H](C)C1)CC(C)(C)C ZINC000781611251 582863960 /nfs/dbraw/zinc/86/39/60/582863960.db2.gz IQDXYKHKSKHZGE-UPJWGTAASA-N 0 0 239.403 3.754 20 0 BHADRN CCCCC(=O)O[C@@H](C)c1ccc(Cl)cn1 ZINC000781612699 585800441 /nfs/dbraw/zinc/80/04/41/585800441.db2.gz OIDZXHTXNLEIBW-VIFPVBQESA-N 0 0 241.718 3.529 20 0 BHADRN CC(C)CCCCCC(=O)N[C@H]1CC[C@H](C)C1 ZINC000781613706 585800489 /nfs/dbraw/zinc/80/04/89/585800489.db2.gz ZDEFXWXOIXMPHE-KBPBESRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CCCCCC(=O)N[C@H]1CC[C@@H](C)C1 ZINC000781613707 585800482 /nfs/dbraw/zinc/80/04/82/585800482.db2.gz ZDEFXWXOIXMPHE-KGLIPLIRSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CCCCCC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000781613708 585800561 /nfs/dbraw/zinc/80/05/61/585800561.db2.gz ZDEFXWXOIXMPHE-UONOGXRCSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)CCCCCC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000781613709 585800676 /nfs/dbraw/zinc/80/06/76/585800676.db2.gz ZDEFXWXOIXMPHE-ZIAGYGMSSA-N 0 0 239.403 3.898 20 0 BHADRN CSc1ccc(COc2ccc(F)nc2)cc1 ZINC000781616647 585800880 /nfs/dbraw/zinc/80/08/80/585800880.db2.gz CCSJZIKGJGGULN-UHFFFAOYSA-N 0 0 249.310 3.522 20 0 BHADRN Cc1cccc(CCCOc2ccc(F)nc2)c1 ZINC000781617448 585800915 /nfs/dbraw/zinc/80/09/15/585800915.db2.gz UFKQYSLHFNAIST-UHFFFAOYSA-N 0 0 245.297 3.541 20 0 BHADRN CCCc1ccc(COc2cccnc2F)cc1 ZINC000781617729 585800892 /nfs/dbraw/zinc/80/08/92/585800892.db2.gz 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CC(C)OCc1cccc(N[C@@H]2CC[C@H]2C)c1 ZINC000783269909 585832766 /nfs/dbraw/zinc/83/27/66/585832766.db2.gz QKBYLTFEKJCZQS-IUODEOHRSA-N 0 0 233.355 3.822 20 0 BHADRN CC(C)OCc1cccc(N[C@@H]2CC[C@@H]2C)c1 ZINC000783269910 585832918 /nfs/dbraw/zinc/83/29/18/585832918.db2.gz QKBYLTFEKJCZQS-SWLSCSKDSA-N 0 0 233.355 3.822 20 0 BHADRN CC(C)OCc1cccc(N[C@H]2CC[C@@H]2C)c1 ZINC000783269911 585832810 /nfs/dbraw/zinc/83/28/10/585832810.db2.gz QKBYLTFEKJCZQS-WFASDCNBSA-N 0 0 233.355 3.822 20 0 BHADRN C[C@H]1CC[C@H]1Nc1cccc(COCC2CC2)c1 ZINC000783269961 585832819 /nfs/dbraw/zinc/83/28/19/585832819.db2.gz RIHOYCKQZXHLMJ-BLLLJJGKSA-N 0 0 245.366 3.824 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1cccc(COCC2CC2)c1 ZINC000783269962 585832846 /nfs/dbraw/zinc/83/28/46/585832846.db2.gz RIHOYCKQZXHLMJ-LRDDRELGSA-N 0 0 245.366 3.824 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1cccc(COCC2CC2)c1 ZINC000783269963 585832877 /nfs/dbraw/zinc/83/28/77/585832877.db2.gz RIHOYCKQZXHLMJ-MLGOLLRUSA-N 0 0 245.366 3.824 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1cccc(COCC2CC2)c1 ZINC000783269964 585832940 /nfs/dbraw/zinc/83/29/40/585832940.db2.gz RIHOYCKQZXHLMJ-WBMJQRKESA-N 0 0 245.366 3.824 20 0 BHADRN Cc1ccc(C(=O)OCC2CC2)c(Cl)c1C ZINC000783271476 585832925 /nfs/dbraw/zinc/83/29/25/585832925.db2.gz BVIUCCHWVBCGCW-UHFFFAOYSA-N 0 0 238.714 3.524 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc2nc(C3CC3)oc2c1 ZINC000783273738 585832806 /nfs/dbraw/zinc/83/28/06/585832806.db2.gz AJRIFFHNMLMBKA-BXKDBHETSA-N 0 0 242.322 3.916 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccc2nc(C3CC3)oc2c1 ZINC000783273742 585832916 /nfs/dbraw/zinc/83/29/16/585832916.db2.gz AJRIFFHNMLMBKA-CABZTGNLSA-N 0 0 242.322 3.916 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccc2nc(C3CC3)oc2c1 ZINC000783273746 585832750 /nfs/dbraw/zinc/83/27/50/585832750.db2.gz AJRIFFHNMLMBKA-JOYOIKCWSA-N 0 0 242.322 3.916 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc2nc(C3CC3)oc2c1 ZINC000783273751 585832855 /nfs/dbraw/zinc/83/28/55/585832855.db2.gz AJRIFFHNMLMBKA-SKDRFNHKSA-N 0 0 242.322 3.916 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1cc(F)ccc1OC(F)F ZINC000783273851 585832853 /nfs/dbraw/zinc/83/28/53/585832853.db2.gz BMFPJIJGALCZFR-APPZFPTMSA-N 0 0 245.244 3.638 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1cc(F)ccc1OC(F)F ZINC000783273857 585832913 /nfs/dbraw/zinc/83/29/13/585832913.db2.gz BMFPJIJGALCZFR-CBAPKCEASA-N 0 0 245.244 3.638 20 0 BHADRN C[C@H]1CC[C@H]1Nc1cc(F)ccc1OC(F)F ZINC000783273923 585832796 /nfs/dbraw/zinc/83/27/96/585832796.db2.gz BMFPJIJGALCZFR-IONNQARKSA-N 0 0 245.244 3.638 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1cc(F)ccc1OC(F)F ZINC000783273925 585832827 /nfs/dbraw/zinc/83/28/27/585832827.db2.gz BMFPJIJGALCZFR-VXNVDRBHSA-N 0 0 245.244 3.638 20 0 BHADRN CCCOC(=O)c1ccc(C)c(C)c1Cl ZINC000783276433 585832920 /nfs/dbraw/zinc/83/29/20/585832920.db2.gz UWMHFZBGGPDBSU-UHFFFAOYSA-N 0 0 226.703 3.524 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccccc1OCC(F)F ZINC000783276518 585832892 /nfs/dbraw/zinc/83/28/92/585832892.db2.gz PDVOVCUCZPBFTF-NXEZZACHSA-N 0 0 241.281 3.541 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccccc1OCC(F)F ZINC000783276520 585832834 /nfs/dbraw/zinc/83/28/34/585832834.db2.gz PDVOVCUCZPBFTF-UWVGGRQHSA-N 0 0 241.281 3.541 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccccc1OCC(F)F ZINC000783276522 585832857 /nfs/dbraw/zinc/83/28/57/585832857.db2.gz PDVOVCUCZPBFTF-VHSXEESVSA-N 0 0 241.281 3.541 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccccc1OCC(F)F ZINC000783276524 582955246 /nfs/dbraw/zinc/95/52/46/582955246.db2.gz PDVOVCUCZPBFTF-ZJUUUORDSA-N 0 0 241.281 3.541 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc(OCC(F)F)cc1 ZINC000783277960 644751639 /nfs/dbraw/zinc/75/16/39/644751639.db2.gz VPIGBKLUSUAHNC-BXKDBHETSA-N 0 0 241.281 3.541 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccc(OCC(F)F)cc1 ZINC000783277961 644752799 /nfs/dbraw/zinc/75/27/99/644752799.db2.gz VPIGBKLUSUAHNC-CABZTGNLSA-N 0 0 241.281 3.541 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccc(OCC(F)F)cc1 ZINC000783277962 644753083 /nfs/dbraw/zinc/75/30/83/644753083.db2.gz VPIGBKLUSUAHNC-JOYOIKCWSA-N 0 0 241.281 3.541 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc(OCC(F)F)cc1 ZINC000783277963 585832751 /nfs/dbraw/zinc/83/27/51/585832751.db2.gz VPIGBKLUSUAHNC-SKDRFNHKSA-N 0 0 241.281 3.541 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@@H]2C)cc1OC(F)F ZINC000783278038 644752545 /nfs/dbraw/zinc/75/25/45/644752545.db2.gz WZUGVLHDAMZTNK-GZMMTYOYSA-N 0 0 241.281 3.807 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@H]2C)cc1OC(F)F ZINC000783278039 644752042 /nfs/dbraw/zinc/75/20/42/644752042.db2.gz WZUGVLHDAMZTNK-KCJUWKMLSA-N 0 0 241.281 3.807 20 0 BHADRN Cc1ccc(N[C@H]2CC[C@@H]2C)cc1OC(F)F ZINC000783278040 644752087 /nfs/dbraw/zinc/75/20/87/644752087.db2.gz WZUGVLHDAMZTNK-KWQFWETISA-N 0 0 241.281 3.807 20 0 BHADRN Cc1ccc(N[C@@H]2CC[C@H]2C)cc1OC(F)F ZINC000783278041 644753106 /nfs/dbraw/zinc/75/31/06/644753106.db2.gz WZUGVLHDAMZTNK-LDYMZIIASA-N 0 0 241.281 3.807 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccccc1OCC1CC1 ZINC000783278445 644752441 /nfs/dbraw/zinc/75/24/41/644752441.db2.gz XHBRREUCJUMUOW-AAEUAGOBSA-N 0 0 231.339 3.686 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccccc1OCC1CC1 ZINC000783278448 644752127 /nfs/dbraw/zinc/75/21/27/644752127.db2.gz XHBRREUCJUMUOW-DGCLKSJQSA-N 0 0 231.339 3.686 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccccc1OCC1CC1 ZINC000783278451 644752265 /nfs/dbraw/zinc/75/22/65/644752265.db2.gz XHBRREUCJUMUOW-WCQYABFASA-N 0 0 231.339 3.686 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccccc1OCC1CC1 ZINC000783278453 644752708 /nfs/dbraw/zinc/75/27/08/644752708.db2.gz XHBRREUCJUMUOW-YPMHNXCESA-N 0 0 231.339 3.686 20 0 BHADRN CC(C)n1ncc2ccc(N[C@@H]3CC[C@H]3C)cc21 ZINC000783280444 644752515 /nfs/dbraw/zinc/75/25/15/644752515.db2.gz KBUQEPVUEMRJLB-BXUZGUMPSA-N 0 0 243.354 3.828 20 0 BHADRN CC(C)n1ncc2ccc(N[C@H]3CC[C@@H]3C)cc21 ZINC000783280448 644753072 /nfs/dbraw/zinc/75/30/72/644753072.db2.gz KBUQEPVUEMRJLB-FZMZJTMJSA-N 0 0 243.354 3.828 20 0 BHADRN CC(C)n1ncc2ccc(N[C@H]3CC[C@H]3C)cc21 ZINC000783280453 644751753 /nfs/dbraw/zinc/75/17/53/644751753.db2.gz KBUQEPVUEMRJLB-RISCZKNCSA-N 0 0 243.354 3.828 20 0 BHADRN CC(C)n1ncc2ccc(N[C@@H]3CC[C@@H]3C)cc21 ZINC000783280455 644752606 /nfs/dbraw/zinc/75/26/06/644752606.db2.gz KBUQEPVUEMRJLB-SMDDNHRTSA-N 0 0 243.354 3.828 20 0 BHADRN CC(C)Cn1ncc(N[C@@H]2CC[C@H]2C)c1C(C)C ZINC000783280462 644752233 /nfs/dbraw/zinc/75/22/33/644752233.db2.gz XNXGEGMRZFWQIM-CHWSQXEVSA-N 0 0 249.402 3.873 20 0 BHADRN CC(C)Cn1ncc(N[C@H]2CC[C@H]2C)c1C(C)C ZINC000783280463 644753055 /nfs/dbraw/zinc/75/30/55/644753055.db2.gz XNXGEGMRZFWQIM-OLZOCXBDSA-N 0 0 249.402 3.873 20 0 BHADRN CC(C)Cn1ncc(N[C@@H]2CC[C@@H]2C)c1C(C)C ZINC000783280464 644752909 /nfs/dbraw/zinc/75/29/09/644752909.db2.gz XNXGEGMRZFWQIM-QWHCGFSZSA-N 0 0 249.402 3.873 20 0 BHADRN CC(C)Cn1ncc(N[C@H]2CC[C@@H]2C)c1C(C)C ZINC000783280466 644751798 /nfs/dbraw/zinc/75/17/98/644751798.db2.gz XNXGEGMRZFWQIM-STQMWFEESA-N 0 0 249.402 3.873 20 0 BHADRN CC[C@H](C)n1ncc(N[C@@H]2CC[C@@H]2C)c1C1CC1 ZINC000783280622 644753033 /nfs/dbraw/zinc/75/30/33/644753033.db2.gz YVNCMHHBSHXSOK-GMXVVIOVSA-N 0 0 247.386 3.942 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H]2CC[C@@H]2C)c1C1CC1 ZINC000783280623 644752202 /nfs/dbraw/zinc/75/22/02/644752202.db2.gz YVNCMHHBSHXSOK-GVXVVHGQSA-N 0 0 247.386 3.942 20 0 BHADRN CC[C@H](C)n1ncc(N[C@H]2CC[C@H]2C)c1C1CC1 ZINC000783280624 644752360 /nfs/dbraw/zinc/75/23/60/644752360.db2.gz YVNCMHHBSHXSOK-MDZLAQPJSA-N 0 0 247.386 3.942 20 0 BHADRN CC[C@H](C)n1ncc(N[C@@H]2CC[C@H]2C)c1C1CC1 ZINC000783280625 644752940 /nfs/dbraw/zinc/75/29/40/644752940.db2.gz YVNCMHHBSHXSOK-NTZNESFSSA-N 0 0 247.386 3.942 20 0 BHADRN CC(C)Oc1ccc(F)cc1N[C@@H]1CC[C@@H]1C ZINC000783281714 644753662 /nfs/dbraw/zinc/75/36/62/644753662.db2.gz QMXSNRPBDBWGNL-CMPLNLGQSA-N 0 0 237.318 3.823 20 0 BHADRN CC(C)Oc1ccc(F)cc1N[C@H]1CC[C@@H]1C ZINC000783281716 644754667 /nfs/dbraw/zinc/75/46/67/644754667.db2.gz QMXSNRPBDBWGNL-JQWIXIFHSA-N 0 0 237.318 3.823 20 0 BHADRN CC(C)Oc1ccc(F)cc1N[C@H]1CC[C@H]1C ZINC000783281718 644754213 /nfs/dbraw/zinc/75/42/13/644754213.db2.gz QMXSNRPBDBWGNL-PWSUYJOCSA-N 0 0 237.318 3.823 20 0 BHADRN CC(C)Oc1ccc(F)cc1N[C@@H]1CC[C@H]1C ZINC000783281720 644754283 /nfs/dbraw/zinc/75/42/83/644754283.db2.gz QMXSNRPBDBWGNL-ZYHUDNBSSA-N 0 0 237.318 3.823 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccnn1C1CCCCC1 ZINC000783281764 644753711 /nfs/dbraw/zinc/75/37/11/644753711.db2.gz BUWYZLSSVMRBNO-AAEUAGOBSA-N 0 0 233.359 3.599 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccnn1C1CCCCC1 ZINC000783281765 644754231 /nfs/dbraw/zinc/75/42/31/644754231.db2.gz BUWYZLSSVMRBNO-DGCLKSJQSA-N 0 0 233.359 3.599 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccnn1C1CCCCC1 ZINC000783281766 644752499 /nfs/dbraw/zinc/75/24/99/644752499.db2.gz BUWYZLSSVMRBNO-WCQYABFASA-N 0 0 233.359 3.599 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccnn1C1CCCCC1 ZINC000783281768 644751621 /nfs/dbraw/zinc/75/16/21/644751621.db2.gz BUWYZLSSVMRBNO-YPMHNXCESA-N 0 0 233.359 3.599 20 0 BHADRN COc1ccc(OC(C)C)c(N[C@H]2CC[C@@H]2C)c1 ZINC000783281798 644754122 /nfs/dbraw/zinc/75/41/22/644754122.db2.gz RLLUZAKRYONTAX-AAEUAGOBSA-N 0 0 249.354 3.693 20 0 BHADRN COc1ccc(OC(C)C)c(N[C@@H]2CC[C@H]2C)c1 ZINC000783281799 644753766 /nfs/dbraw/zinc/75/37/66/644753766.db2.gz RLLUZAKRYONTAX-DGCLKSJQSA-N 0 0 249.354 3.693 20 0 BHADRN COc1ccc(OC(C)C)c(N[C@@H]2CC[C@@H]2C)c1 ZINC000783281800 644754597 /nfs/dbraw/zinc/75/45/97/644754597.db2.gz RLLUZAKRYONTAX-WCQYABFASA-N 0 0 249.354 3.693 20 0 BHADRN COc1ccc(OC(C)C)c(N[C@H]2CC[C@H]2C)c1 ZINC000783281801 644753893 /nfs/dbraw/zinc/75/38/93/644753893.db2.gz RLLUZAKRYONTAX-YPMHNXCESA-N 0 0 249.354 3.693 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccc2c(c1)CC(C)(C)O2 ZINC000783284284 585833026 /nfs/dbraw/zinc/83/30/26/585833026.db2.gz AWCHAKBUJAFWCZ-GWCFXTLKSA-N 0 0 231.339 3.611 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccc2c(c1)CC(C)(C)O2 ZINC000783284285 585833042 /nfs/dbraw/zinc/83/30/42/585833042.db2.gz AWCHAKBUJAFWCZ-GXFFZTMASA-N 0 0 231.339 3.611 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc2c(c1)CC(C)(C)O2 ZINC000783284286 585833181 /nfs/dbraw/zinc/83/31/81/585833181.db2.gz AWCHAKBUJAFWCZ-MFKMUULPSA-N 0 0 231.339 3.611 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc2c(c1)CC(C)(C)O2 ZINC000783284287 644754349 /nfs/dbraw/zinc/75/43/49/644754349.db2.gz AWCHAKBUJAFWCZ-ZWNOBZJWSA-N 0 0 231.339 3.611 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1ccc(OC2CCC2)c(F)c1 ZINC000783284492 585833071 /nfs/dbraw/zinc/83/30/71/585833071.db2.gz CGBRGMAZDTWXKA-HZMBPMFUSA-N 0 0 249.329 3.967 20 0 BHADRN C[C@H]1CC[C@H]1Nc1ccc(OC2CCC2)c(F)c1 ZINC000783284496 585833036 /nfs/dbraw/zinc/83/30/36/585833036.db2.gz CGBRGMAZDTWXKA-IINYFYTJSA-N 0 0 249.329 3.967 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc(OC2CCC2)c(F)c1 ZINC000783284499 585833102 /nfs/dbraw/zinc/83/31/02/585833102.db2.gz CGBRGMAZDTWXKA-QMTHXVAHSA-N 0 0 249.329 3.967 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc(OC2CCC2)c(F)c1 ZINC000783284503 585833129 /nfs/dbraw/zinc/83/31/29/585833129.db2.gz CGBRGMAZDTWXKA-YGRLFVJLSA-N 0 0 249.329 3.967 20 0 BHADRN CC(C)n1ncc2cc(N[C@@H]3CC[C@H]3C)ccc21 ZINC000783285021 585832978 /nfs/dbraw/zinc/83/29/78/585832978.db2.gz FIKFGCLVFIUKPC-BXUZGUMPSA-N 0 0 243.354 3.828 20 0 BHADRN CC(C)n1ncc2cc(N[C@H]3CC[C@@H]3C)ccc21 ZINC000783285023 585832964 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OIYUHDZTSSBKPX-JTQLQIEISA-N 0 0 226.295 3.784 20 0 BHADRN CC(C)[C@@H](F)c1nc(C2CCCCC2)no1 ZINC000783944685 585846010 /nfs/dbraw/zinc/84/60/10/585846010.db2.gz OIYUHDZTSSBKPX-SNVBAGLBSA-N 0 0 226.295 3.784 20 0 BHADRN Cc1ccc(-c2noc([C@H](F)C(C)C)n2)cc1 ZINC000783947606 585845989 /nfs/dbraw/zinc/84/59/89/585845989.db2.gz APOSYKKJFXGUMO-LLVKDONJSA-N 0 0 234.274 3.712 20 0 BHADRN Cc1ccc(-c2noc([C@@H](F)C(C)C)n2)cc1 ZINC000783947607 585845979 /nfs/dbraw/zinc/84/59/79/585845979.db2.gz APOSYKKJFXGUMO-NSHDSACASA-N 0 0 234.274 3.712 20 0 BHADRN CCc1ccc(-c2noc([C@H](F)C(C)C)n2)cc1 ZINC000783947672 585846097 /nfs/dbraw/zinc/84/60/97/585846097.db2.gz DLYPXTDGXIIBCV-GFCCVEGCSA-N 0 0 248.301 3.966 20 0 BHADRN CCc1ccc(-c2noc([C@@H](F)C(C)C)n2)cc1 ZINC000783947673 585845965 /nfs/dbraw/zinc/84/59/65/585845965.db2.gz DLYPXTDGXIIBCV-LBPRGKRZSA-N 0 0 248.301 3.966 20 0 BHADRN Cc1ccccc1-c1noc([C@H](F)C(C)C)n1 ZINC000783948151 585846131 /nfs/dbraw/zinc/84/61/31/585846131.db2.gz IRVQGQGXQASLIP-LLVKDONJSA-N 0 0 234.274 3.712 20 0 BHADRN Cc1ccccc1-c1noc([C@@H](F)C(C)C)n1 ZINC000783948152 585846025 /nfs/dbraw/zinc/84/60/25/585846025.db2.gz IRVQGQGXQASLIP-NSHDSACASA-N 0 0 234.274 3.712 20 0 BHADRN CC(C)[C@@H](F)c1nc(CCc2ccccc2)no1 ZINC000783948291 585845975 /nfs/dbraw/zinc/84/59/75/585845975.db2.gz KWPQCSLOEQIURG-CYBMUJFWSA-N 0 0 248.301 3.521 20 0 BHADRN CC(C)[C@H](F)c1nc(CCc2ccccc2)no1 ZINC000783948292 585846067 /nfs/dbraw/zinc/84/60/67/585846067.db2.gz KWPQCSLOEQIURG-ZDUSSCGKSA-N 0 0 248.301 3.521 20 0 BHADRN CC(C)[C@H](F)c1nc(-c2cccc(F)c2)no1 ZINC000783948725 585845702 /nfs/dbraw/zinc/84/57/02/585845702.db2.gz RLTURRZYAGKDPL-JTQLQIEISA-N 0 0 238.237 3.542 20 0 BHADRN CC(C)[C@@H](F)c1nc(-c2cccc(F)c2)no1 ZINC000783948727 585845788 /nfs/dbraw/zinc/84/57/88/585845788.db2.gz RLTURRZYAGKDPL-SNVBAGLBSA-N 0 0 238.237 3.542 20 0 BHADRN Cc1ccc(N(C)C(=O)C23CCC(CC2)C3)cc1 ZINC000783953954 585846276 /nfs/dbraw/zinc/84/62/76/585846276.db2.gz LXTOOUMBABQYMK-UHFFFAOYSA-N 0 0 243.350 3.538 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)[C@H](F)C(C)C ZINC000784007075 585846677 /nfs/dbraw/zinc/84/66/77/585846677.db2.gz CGKFGNHYCAIFDC-LLVKDONJSA-N 0 0 243.709 3.581 20 0 BHADRN Cc1c(Cl)cccc1NC(=O)[C@@H](F)C(C)C ZINC000784007165 585846693 /nfs/dbraw/zinc/84/66/93/585846693.db2.gz CGKFGNHYCAIFDC-NSHDSACASA-N 0 0 243.709 3.581 20 0 BHADRN Cc1cc(Cl)ccc1NC(=O)[C@H](F)C(C)C ZINC000784008316 585846850 /nfs/dbraw/zinc/84/68/50/585846850.db2.gz GUJBNPGNJNZXIX-LLVKDONJSA-N 0 0 243.709 3.581 20 0 BHADRN Cc1cc(Cl)ccc1NC(=O)[C@@H](F)C(C)C ZINC000784008317 585846788 /nfs/dbraw/zinc/84/67/88/585846788.db2.gz GUJBNPGNJNZXIX-NSHDSACASA-N 0 0 243.709 3.581 20 0 BHADRN Cc1ccc(NC(=O)[C@H](F)C(C)C)cc1Cl ZINC000784008359 585846873 /nfs/dbraw/zinc/84/68/73/585846873.db2.gz ILVXMHHWYTWBMK-LLVKDONJSA-N 0 0 243.709 3.581 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](F)C(C)C)cc1Cl ZINC000784008360 585846753 /nfs/dbraw/zinc/84/67/53/585846753.db2.gz ILVXMHHWYTWBMK-NSHDSACASA-N 0 0 243.709 3.581 20 0 BHADRN CC(C)[C@H](F)C(=O)Nc1ccc2ccccc2c1 ZINC000784008367 585846727 /nfs/dbraw/zinc/84/67/27/585846727.db2.gz IQTOWASRSVDVTR-AWEZNQCLSA-N 0 0 245.297 3.772 20 0 BHADRN CC(C)[C@@H](F)C(=O)Nc1ccc2ccccc2c1 ZINC000784008368 585846704 /nfs/dbraw/zinc/84/67/04/585846704.db2.gz IQTOWASRSVDVTR-CQSZACIVSA-N 0 0 245.297 3.772 20 0 BHADRN Cc1ccc(OC(=O)C(C)(C)C(C)C)cc1 ZINC000784008984 585846600 /nfs/dbraw/zinc/84/66/00/585846600.db2.gz LBUXTYJLDHJHFD-UHFFFAOYSA-N 0 0 220.312 3.583 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@H](F)C(C)C)cc1 ZINC000784009462 585846771 /nfs/dbraw/zinc/84/67/71/585846771.db2.gz MXGUYEJMDWPDGD-CYBMUJFWSA-N 0 0 237.318 3.743 20 0 BHADRN CC(C)c1ccc(NC(=O)[C@@H](F)C(C)C)cc1 ZINC000784009464 585846684 /nfs/dbraw/zinc/84/66/84/585846684.db2.gz MXGUYEJMDWPDGD-ZDUSSCGKSA-N 0 0 237.318 3.743 20 0 BHADRN Cc1ccc(NC(=O)[C@H](F)C(C)C)c(Cl)c1 ZINC000784009857 585846746 /nfs/dbraw/zinc/84/67/46/585846746.db2.gz OLBAIQPLCSXQHW-LLVKDONJSA-N 0 0 243.709 3.581 20 0 BHADRN Cc1ccc(NC(=O)[C@@H](F)C(C)C)c(Cl)c1 ZINC000784009858 585846838 /nfs/dbraw/zinc/84/68/38/585846838.db2.gz OLBAIQPLCSXQHW-NSHDSACASA-N 0 0 243.709 3.581 20 0 BHADRN Cc1ccccc1OC(=O)C(C)(C)C(C)C ZINC000784010003 585846816 /nfs/dbraw/zinc/84/68/16/585846816.db2.gz POZVWECDCXBCBH-UHFFFAOYSA-N 0 0 220.312 3.583 20 0 BHADRN CC(C)[C@H](F)C(=O)Nc1cccc2ccccc21 ZINC000784010017 585846646 /nfs/dbraw/zinc/84/66/46/585846646.db2.gz PSWCKZIMQYYNFF-AWEZNQCLSA-N 0 0 245.297 3.772 20 0 BHADRN CC(C)[C@@H](F)C(=O)Nc1cccc2ccccc21 ZINC000784010018 585846658 /nfs/dbraw/zinc/84/66/58/585846658.db2.gz PSWCKZIMQYYNFF-CQSZACIVSA-N 0 0 245.297 3.772 20 0 BHADRN Cc1cc(C)c(NC(=O)[C@H](F)C(C)C)c(C)c1 ZINC000784010056 585846831 /nfs/dbraw/zinc/84/68/31/585846831.db2.gz PYTQEIYKKJAMPX-GFCCVEGCSA-N 0 0 237.318 3.544 20 0 BHADRN Cc1cc(C)c(NC(=O)[C@@H](F)C(C)C)c(C)c1 ZINC000784010064 585846641 /nfs/dbraw/zinc/84/66/41/585846641.db2.gz PYTQEIYKKJAMPX-LBPRGKRZSA-N 0 0 237.318 3.544 20 0 BHADRN CC(C)[C@H](F)C(=O)Oc1cccc2ccccc21 ZINC000784010551 585846630 /nfs/dbraw/zinc/84/66/30/585846630.db2.gz RDZUADSEZVZJQY-AWEZNQCLSA-N 0 0 246.281 3.739 20 0 BHADRN CC(C)[C@@H](F)C(=O)Oc1cccc2ccccc21 ZINC000784010554 585846784 /nfs/dbraw/zinc/84/67/84/585846784.db2.gz RDZUADSEZVZJQY-CQSZACIVSA-N 0 0 246.281 3.739 20 0 BHADRN CC(C)C(C)(C)C(=O)Oc1ccccc1Cl ZINC000784010652 585846804 /nfs/dbraw/zinc/84/68/04/585846804.db2.gz SGVBCURBSWYQDY-UHFFFAOYSA-N 0 0 240.730 3.928 20 0 BHADRN Cc1cccc(OC(=O)C(C)(C)C(C)C)c1 ZINC000784011229 585846661 /nfs/dbraw/zinc/84/66/61/585846661.db2.gz UTPLENZBMJIBFW-UHFFFAOYSA-N 0 0 220.312 3.583 20 0 BHADRN CC(C)[C@H](F)C(=O)Oc1ccc2ccccc2c1 ZINC000784012348 585846971 /nfs/dbraw/zinc/84/69/71/585846971.db2.gz XZNQGHOAEGPGSM-AWEZNQCLSA-N 0 0 246.281 3.739 20 0 BHADRN CC(C)[C@@H](F)C(=O)Oc1ccc2ccccc2c1 ZINC000784012351 585847013 /nfs/dbraw/zinc/84/70/13/585847013.db2.gz XZNQGHOAEGPGSM-CQSZACIVSA-N 0 0 246.281 3.739 20 0 BHADRN Fc1cccc2oc(SCc3ccco3)nc21 ZINC000784014541 585846925 /nfs/dbraw/zinc/84/69/25/585846925.db2.gz MHTGWYPXNWNQHY-UHFFFAOYSA-N 0 0 249.266 3.852 20 0 BHADRN Cc1[nH]ccc1C(=O)O[C@H](C)c1ccccc1C ZINC000784015522 585846928 /nfs/dbraw/zinc/84/69/28/585846928.db2.gz DTVSFELUFUOIEW-GFCCVEGCSA-N 0 0 243.306 3.550 20 0 BHADRN Cc1[nH]ccc1C(=O)O[C@@H](C)c1ccccc1C ZINC000784015524 585847051 /nfs/dbraw/zinc/84/70/51/585847051.db2.gz DTVSFELUFUOIEW-LBPRGKRZSA-N 0 0 243.306 3.550 20 0 BHADRN CC(C)c1ccccc1OC(=O)[C@H](F)C(C)C ZINC000784017679 633193042 /nfs/dbraw/zinc/19/30/42/633193042.db2.gz LYHFXTGCHJUFGQ-CYBMUJFWSA-N 0 0 238.302 3.710 20 0 BHADRN CC(C)c1ccccc1OC(=O)[C@@H](F)C(C)C ZINC000784017687 633193565 /nfs/dbraw/zinc/19/35/65/633193565.db2.gz LYHFXTGCHJUFGQ-ZDUSSCGKSA-N 0 0 238.302 3.710 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@H](F)C(C)C ZINC000784017731 644760156 /nfs/dbraw/zinc/76/01/56/644760156.db2.gz RRVUVAAFBGZCNF-LLVKDONJSA-N 0 0 243.709 3.581 20 0 BHADRN Cc1ccc(Cl)cc1NC(=O)[C@@H](F)C(C)C ZINC000784017733 644760058 /nfs/dbraw/zinc/76/00/58/644760058.db2.gz RRVUVAAFBGZCNF-NSHDSACASA-N 0 0 243.709 3.581 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)[C@H](F)C(C)C)c1 ZINC000784019009 585847004 /nfs/dbraw/zinc/84/70/04/585847004.db2.gz QZQMCSZYBICEBP-LLVKDONJSA-N 0 0 244.693 3.548 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)[C@@H](F)C(C)C)c1 ZINC000784019010 585847064 /nfs/dbraw/zinc/84/70/64/585847064.db2.gz QZQMCSZYBICEBP-NSHDSACASA-N 0 0 244.693 3.548 20 0 BHADRN Fc1cccc2oc(N3CCCCCCC3)nc21 ZINC000784019162 644760817 /nfs/dbraw/zinc/76/08/17/644760817.db2.gz QWMGLGYAMTUJQT-UHFFFAOYSA-N 0 0 248.301 3.737 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@H](F)C(C)C)c1 ZINC000784019347 644760717 /nfs/dbraw/zinc/76/07/17/644760717.db2.gz CMYUKCZXUFRGKE-CYBMUJFWSA-N 0 0 237.318 3.743 20 0 BHADRN CC(C)c1cccc(NC(=O)[C@@H](F)C(C)C)c1 ZINC000784019348 644761735 /nfs/dbraw/zinc/76/17/35/644761735.db2.gz CMYUKCZXUFRGKE-ZDUSSCGKSA-N 0 0 237.318 3.743 20 0 BHADRN CCCc1ccc(NC(=O)[C@H](F)C(C)C)cc1 ZINC000784019818 644761365 /nfs/dbraw/zinc/76/13/65/644761365.db2.gz HMAPYYBFAFYFNT-CYBMUJFWSA-N 0 0 237.318 3.572 20 0 BHADRN CCCc1ccc(NC(=O)[C@@H](F)C(C)C)cc1 ZINC000784019819 644761674 /nfs/dbraw/zinc/76/16/74/644761674.db2.gz HMAPYYBFAFYFNT-ZDUSSCGKSA-N 0 0 237.318 3.572 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC000784020314 644761692 /nfs/dbraw/zinc/76/16/92/644761692.db2.gz BCCOGYRUUNCHGH-GFCCVEGCSA-N 0 0 227.392 3.754 20 0 BHADRN CCCCC[C@H](C)NC(=O)C(C)(C)C(C)C ZINC000784020317 644761456 /nfs/dbraw/zinc/76/14/56/644761456.db2.gz BCCOGYRUUNCHGH-LBPRGKRZSA-N 0 0 227.392 3.754 20 0 BHADRN Cc1[nH]ccc1C(=O)O[C@H](C)c1cccc(C)c1 ZINC000784020464 644761056 /nfs/dbraw/zinc/76/10/56/644761056.db2.gz ZZKIVEUTNXJZSZ-GFCCVEGCSA-N 0 0 243.306 3.550 20 0 BHADRN Cc1[nH]ccc1C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000784020466 644761631 /nfs/dbraw/zinc/76/16/31/644761631.db2.gz ZZKIVEUTNXJZSZ-LBPRGKRZSA-N 0 0 243.306 3.550 20 0 BHADRN Cc1cc(OC(=O)[C@H](F)C(C)C)ccc1Cl ZINC000784021908 585847168 /nfs/dbraw/zinc/84/71/68/585847168.db2.gz IQXNTXVXUDKSRS-LLVKDONJSA-N 0 0 244.693 3.548 20 0 BHADRN Cc1cc(OC(=O)[C@@H](F)C(C)C)ccc1Cl ZINC000784021909 585847115 /nfs/dbraw/zinc/84/71/15/585847115.db2.gz IQXNTXVXUDKSRS-NSHDSACASA-N 0 0 244.693 3.548 20 0 BHADRN CC(C)c1ccc(OC(=O)[C@H](F)C(C)C)cc1 ZINC000784022180 585847187 /nfs/dbraw/zinc/84/71/87/585847187.db2.gz YJQCQWCBROZMIU-CYBMUJFWSA-N 0 0 238.302 3.710 20 0 BHADRN CC(C)c1ccc(OC(=O)[C@@H](F)C(C)C)cc1 ZINC000784022183 585847178 /nfs/dbraw/zinc/84/71/78/585847178.db2.gz YJQCQWCBROZMIU-ZDUSSCGKSA-N 0 0 238.302 3.710 20 0 BHADRN CC(C)C(C)(C)C(=O)NC1CCCCCCC1 ZINC000784022419 582970417 /nfs/dbraw/zinc/97/04/17/582970417.db2.gz KZBKNKXYERZEDI-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@H](F)C(C)C)c1C ZINC000784022998 585847220 /nfs/dbraw/zinc/84/72/20/585847220.db2.gz QJIBCTFCYIRIMV-GFCCVEGCSA-N 0 0 238.302 3.511 20 0 BHADRN Cc1ccc(C)c(OC(=O)[C@@H](F)C(C)C)c1C ZINC000784022999 585847154 /nfs/dbraw/zinc/84/71/54/585847154.db2.gz QJIBCTFCYIRIMV-LBPRGKRZSA-N 0 0 238.302 3.511 20 0 BHADRN CC(C)C(C)(C)C(=O)OCc1ccc(F)cc1 ZINC000784023019 585847194 /nfs/dbraw/zinc/84/71/94/585847194.db2.gz QUWVXFDHAYVXMB-UHFFFAOYSA-N 0 0 238.302 3.551 20 0 BHADRN CC(C)C(C)(C)C(=O)OCc1ccccc1F ZINC000784023126 585847434 /nfs/dbraw/zinc/84/74/34/585847434.db2.gz SHAXLPIYMDYNDU-UHFFFAOYSA-N 0 0 238.302 3.551 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@H](F)C(C)C ZINC000784023301 585847363 /nfs/dbraw/zinc/84/73/63/585847363.db2.gz SSODUZDLIOKJIU-CYBMUJFWSA-N 0 0 237.318 3.743 20 0 BHADRN CC(C)c1ccccc1NC(=O)[C@@H](F)C(C)C ZINC000784023302 585847357 /nfs/dbraw/zinc/84/73/57/585847357.db2.gz SSODUZDLIOKJIU-ZDUSSCGKSA-N 0 0 237.318 3.743 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)[C@H](F)C(C)C ZINC000784024271 585847462 /nfs/dbraw/zinc/84/74/62/585847462.db2.gz ZNLBTHJXFPBYLW-LLVKDONJSA-N 0 0 244.693 3.548 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)[C@@H](F)C(C)C ZINC000784024273 585847353 /nfs/dbraw/zinc/84/73/53/585847353.db2.gz ZNLBTHJXFPBYLW-NSHDSACASA-N 0 0 244.693 3.548 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)[C@H](F)C(C)C)c1 ZINC000784028056 585847411 /nfs/dbraw/zinc/84/74/11/585847411.db2.gz SOFDQNZPSPDQGM-CYBMUJFWSA-N 0 0 238.302 3.511 20 0 BHADRN Cc1cc(C)c(C)c(OC(=O)[C@@H](F)C(C)C)c1 ZINC000784028059 585847313 /nfs/dbraw/zinc/84/73/13/585847313.db2.gz SOFDQNZPSPDQGM-ZDUSSCGKSA-N 0 0 238.302 3.511 20 0 BHADRN CC(C)=C(C)C(=O)O[C@H]1CCc2ccccc21 ZINC000784036098 585847678 /nfs/dbraw/zinc/84/76/78/585847678.db2.gz CDFBYXHIZADIFV-AWEZNQCLSA-N 0 0 230.307 3.573 20 0 BHADRN CC(C)=C(C)C(=O)O[C@@H]1CCc2ccccc21 ZINC000784036101 585847682 /nfs/dbraw/zinc/84/76/82/585847682.db2.gz CDFBYXHIZADIFV-CQSZACIVSA-N 0 0 230.307 3.573 20 0 BHADRN CCCc1ccccc1NC(=O)[C@H](F)C(C)C ZINC000784050498 585847995 /nfs/dbraw/zinc/84/79/95/585847995.db2.gz BDCPLDKKWDAPKJ-CYBMUJFWSA-N 0 0 237.318 3.572 20 0 BHADRN CCCc1ccccc1NC(=O)[C@@H](F)C(C)C ZINC000784050499 585848173 /nfs/dbraw/zinc/84/81/73/585848173.db2.gz BDCPLDKKWDAPKJ-ZDUSSCGKSA-N 0 0 237.318 3.572 20 0 BHADRN Cc1ccc(CCCOc2ccc(F)nc2)cc1 ZINC000784054146 585848101 /nfs/dbraw/zinc/84/81/01/585848101.db2.gz SHCZHRMMUAFFCB-UHFFFAOYSA-N 0 0 245.297 3.541 20 0 BHADRN CC(C)[C@@H](F)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000784056391 585848204 /nfs/dbraw/zinc/84/82/04/585848204.db2.gz NINKRPDTNZBYHD-BXUZGUMPSA-N 0 0 249.329 3.521 20 0 BHADRN CC(C)[C@H](F)C(=O)N1CC[C@H](C)c2ccccc21 ZINC000784056393 585848242 /nfs/dbraw/zinc/84/82/42/585848242.db2.gz NINKRPDTNZBYHD-FZMZJTMJSA-N 0 0 249.329 3.521 20 0 BHADRN CC(C)[C@H](F)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000784056395 585848332 /nfs/dbraw/zinc/84/83/32/585848332.db2.gz NINKRPDTNZBYHD-RISCZKNCSA-N 0 0 249.329 3.521 20 0 BHADRN CC(C)[C@@H](F)C(=O)N1CC[C@H](C)c2ccccc21 ZINC000784056397 585848294 /nfs/dbraw/zinc/84/82/94/585848294.db2.gz NINKRPDTNZBYHD-SMDDNHRTSA-N 0 0 249.329 3.521 20 0 BHADRN Cc1ccc(CCCOc2cccnc2F)cc1 ZINC000784057175 585848377 /nfs/dbraw/zinc/84/83/77/585848377.db2.gz YTFCQZNBZSZYIL-UHFFFAOYSA-N 0 0 245.297 3.541 20 0 BHADRN Cc1ccc(N(C)C(=O)C(C)(C)C(C)C)c(C)c1 ZINC000784068018 585848582 /nfs/dbraw/zinc/84/85/82/585848582.db2.gz KZPDMHCMUUHAIM-UHFFFAOYSA-N 0 0 247.382 3.948 20 0 BHADRN Cc1ccc(N(C)C(=O)C(C)(C)C(C)C)cc1C ZINC000784068610 585848432 /nfs/dbraw/zinc/84/84/32/585848432.db2.gz NPUWDAMPXXZOJL-UHFFFAOYSA-N 0 0 247.382 3.948 20 0 BHADRN CC(C)[C@@H](F)C(=O)N(C)C1CCCCCCC1 ZINC000784078583 585848824 /nfs/dbraw/zinc/84/88/24/585848824.db2.gz KCEDLZQGRXJCGS-CYBMUJFWSA-N 0 0 243.366 3.552 20 0 BHADRN CC(C)[C@H](F)C(=O)N(C)C1CCCCCCC1 ZINC000784078584 585848749 /nfs/dbraw/zinc/84/87/49/585848749.db2.gz KCEDLZQGRXJCGS-ZDUSSCGKSA-N 0 0 243.366 3.552 20 0 BHADRN Cc1cc(OC(=O)C23CCC(CC2)C3)ccc1F ZINC000784082394 585848845 /nfs/dbraw/zinc/84/88/45/585848845.db2.gz LDOHYIPTQPBEGR-UHFFFAOYSA-N 0 0 248.297 3.620 20 0 BHADRN Cc1ccc(N(C)C(=O)C(C)(C)C(C)C)cc1 ZINC000784087017 585849000 /nfs/dbraw/zinc/84/90/00/585849000.db2.gz CZLWGVZVYFLXJD-UHFFFAOYSA-N 0 0 233.355 3.640 20 0 BHADRN CC(C)[C@@H](F)C(=O)N(C(C)C)C1CCCCC1 ZINC000784087589 585849085 /nfs/dbraw/zinc/84/90/85/585849085.db2.gz IYUGVVFLGMMARY-CYBMUJFWSA-N 0 0 243.366 3.550 20 0 BHADRN CC(C)[C@H](F)C(=O)N(C(C)C)C1CCCCC1 ZINC000784087592 585849173 /nfs/dbraw/zinc/84/91/73/585849173.db2.gz IYUGVVFLGMMARY-ZDUSSCGKSA-N 0 0 243.366 3.550 20 0 BHADRN Cc1cc(F)ccc1OC(=O)C12CCC(CC1)C2 ZINC000784090399 585849046 /nfs/dbraw/zinc/84/90/46/585849046.db2.gz KGMQWJIRMVSPFA-UHFFFAOYSA-N 0 0 248.297 3.620 20 0 BHADRN CC(C)[C@H](F)C(=O)Nc1cccc(C(F)F)c1 ZINC000784090817 582975661 /nfs/dbraw/zinc/97/56/61/582975661.db2.gz YBQSUOSGIMPAOR-JTQLQIEISA-N 0 0 245.244 3.557 20 0 BHADRN CC(C)[C@@H](F)C(=O)Nc1cccc(C(F)F)c1 ZINC000784090818 582975687 /nfs/dbraw/zinc/97/56/87/582975687.db2.gz YBQSUOSGIMPAOR-SNVBAGLBSA-N 0 0 245.244 3.557 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)[C@H](F)C(C)C ZINC000784094258 585849451 /nfs/dbraw/zinc/84/94/51/585849451.db2.gz NNVCUGFHVOLGFK-CYBMUJFWSA-N 0 0 245.382 3.558 20 0 BHADRN CC(C)CC(CC(C)C)NC(=O)[C@@H](F)C(C)C ZINC000784094259 585849365 /nfs/dbraw/zinc/84/93/65/585849365.db2.gz NNVCUGFHVOLGFK-ZDUSSCGKSA-N 0 0 245.382 3.558 20 0 BHADRN CCCC(C)(C)CC(=O)NCCC1CCC1 ZINC000784098792 582975944 /nfs/dbraw/zinc/97/59/44/582975944.db2.gz LXZYNQPMXIJZIF-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN Cc1cccc(OC(=O)C23CCC(CC2)C3)c1F ZINC000784100846 585849287 /nfs/dbraw/zinc/84/92/87/585849287.db2.gz FROSKDXKYWMUBB-UHFFFAOYSA-N 0 0 248.297 3.620 20 0 BHADRN Cc1ccccc1COC(=O)C12CCC(CC1)C2 ZINC000784107957 585849634 /nfs/dbraw/zinc/84/96/34/585849634.db2.gz GXNLVFZAIBJLOJ-UHFFFAOYSA-N 0 0 244.334 3.619 20 0 BHADRN Cc1ccc(COC(=O)C23CCC(CC2)C3)cc1 ZINC000784109360 585849662 /nfs/dbraw/zinc/84/96/62/585849662.db2.gz TYIDGOHFDUAUAD-UHFFFAOYSA-N 0 0 244.334 3.619 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)[C@@H](F)C(C)C ZINC000784111524 585849839 /nfs/dbraw/zinc/84/98/39/585849839.db2.gz KLUPJPRJQZXYAL-JTQLQIEISA-N 0 0 244.693 3.548 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)[C@H](F)C(C)C ZINC000784111525 585849843 /nfs/dbraw/zinc/84/98/43/585849843.db2.gz KLUPJPRJQZXYAL-SNVBAGLBSA-N 0 0 244.693 3.548 20 0 BHADRN Cc1ccc(OC(=O)[C@H](F)C(C)C)c(Cl)c1 ZINC000784112417 585849806 /nfs/dbraw/zinc/84/98/06/585849806.db2.gz JUCRVOWCCCEYAY-LLVKDONJSA-N 0 0 244.693 3.548 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](F)C(C)C)c(Cl)c1 ZINC000784112418 585849807 /nfs/dbraw/zinc/84/98/07/585849807.db2.gz JUCRVOWCCCEYAY-NSHDSACASA-N 0 0 244.693 3.548 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@@H](F)C(C)C)c1 ZINC000784114022 585849944 /nfs/dbraw/zinc/84/99/44/585849944.db2.gz VZNOUMOMAHLRBA-AAEUAGOBSA-N 0 0 238.302 3.593 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)[C@H](F)C(C)C)c1 ZINC000784114025 585850036 /nfs/dbraw/zinc/85/00/36/585850036.db2.gz VZNOUMOMAHLRBA-DGCLKSJQSA-N 0 0 238.302 3.593 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@H](F)C(C)C)c1 ZINC000784114028 585849988 /nfs/dbraw/zinc/84/99/88/585849988.db2.gz VZNOUMOMAHLRBA-WCQYABFASA-N 0 0 238.302 3.593 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)[C@@H](F)C(C)C)c1 ZINC000784114031 585850003 /nfs/dbraw/zinc/85/00/03/585850003.db2.gz VZNOUMOMAHLRBA-YPMHNXCESA-N 0 0 238.302 3.593 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)[C@@H](F)C(C)C ZINC000784126066 585850268 /nfs/dbraw/zinc/85/02/68/585850268.db2.gz RMDMWFJICHKRAR-JTQLQIEISA-N 0 0 243.709 3.581 20 0 BHADRN Cc1cccc(Cl)c1NC(=O)[C@H](F)C(C)C ZINC000784126067 585850322 /nfs/dbraw/zinc/85/03/22/585850322.db2.gz RMDMWFJICHKRAR-SNVBAGLBSA-N 0 0 243.709 3.581 20 0 BHADRN CCC(CC)N(CC(C)C)C(=O)[C@H](F)C(C)C ZINC000784128038 585850488 /nfs/dbraw/zinc/85/04/88/585850488.db2.gz BEJXRNDTSUCVKC-CYBMUJFWSA-N 0 0 245.382 3.654 20 0 BHADRN CCC(CC)N(CC(C)C)C(=O)[C@@H](F)C(C)C ZINC000784128040 585850521 /nfs/dbraw/zinc/85/05/21/585850521.db2.gz BEJXRNDTSUCVKC-ZDUSSCGKSA-N 0 0 245.382 3.654 20 0 BHADRN CCCc1ccc(OC(=O)[C@H](F)C(C)C)cc1 ZINC000784130635 582981255 /nfs/dbraw/zinc/98/12/55/582981255.db2.gz WSSZORYGPQLHEK-CYBMUJFWSA-N 0 0 238.302 3.539 20 0 BHADRN CCCc1ccc(OC(=O)[C@@H](F)C(C)C)cc1 ZINC000784130638 582980946 /nfs/dbraw/zinc/98/09/46/582980946.db2.gz WSSZORYGPQLHEK-ZDUSSCGKSA-N 0 0 238.302 3.539 20 0 BHADRN Cc1ccc(COC(=O)C(C)(C)C(C)C)s1 ZINC000784131542 585850615 /nfs/dbraw/zinc/85/06/15/585850615.db2.gz MSFIUUMKCFALEY-UHFFFAOYSA-N 0 0 240.368 3.782 20 0 BHADRN Cc1cccc(NC(=O)[C@H](F)C(C)C)c1Cl ZINC000784131707 585850630 /nfs/dbraw/zinc/85/06/30/585850630.db2.gz VUWICWKAOUYAEB-LLVKDONJSA-N 0 0 243.709 3.581 20 0 BHADRN Cc1cccc(NC(=O)[C@@H](F)C(C)C)c1Cl ZINC000784131708 585850635 /nfs/dbraw/zinc/85/06/35/585850635.db2.gz VUWICWKAOUYAEB-NSHDSACASA-N 0 0 243.709 3.581 20 0 BHADRN Cc1ccc([C@H](C)OC(=O)[C@@H](F)C(C)C)cc1 ZINC000784131850 585850720 /nfs/dbraw/zinc/85/07/20/585850720.db2.gz CAROGDCTZKNQCT-AAEUAGOBSA-N 0 0 238.302 3.593 20 0 BHADRN Cc1ccc([C@H](C)OC(=O)[C@H](F)C(C)C)cc1 ZINC000784131852 585850642 /nfs/dbraw/zinc/85/06/42/585850642.db2.gz CAROGDCTZKNQCT-WCQYABFASA-N 0 0 238.302 3.593 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)[C@H](F)C(C)C)c1 ZINC000784131959 585850688 /nfs/dbraw/zinc/85/06/88/585850688.db2.gz BWWKJSFXYSBBGX-LLVKDONJSA-N 0 0 243.709 3.581 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)[C@@H](F)C(C)C)c1 ZINC000784131960 585850572 /nfs/dbraw/zinc/85/05/72/585850572.db2.gz BWWKJSFXYSBBGX-NSHDSACASA-N 0 0 243.709 3.581 20 0 BHADRN Cc1cccc(C)c1CNC(=O)C(C)(C)C(C)C ZINC000784133426 585850658 /nfs/dbraw/zinc/85/06/58/585850658.db2.gz NRLYPGLFVSVVBY-UHFFFAOYSA-N 0 0 247.382 3.602 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@H](F)C(C)C ZINC000784133465 585850539 /nfs/dbraw/zinc/85/05/39/585850539.db2.gz NVKFUHOXKDDUEY-CHWSQXEVSA-N 0 0 243.366 3.552 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)[C@@H](F)C(C)C ZINC000784133467 585850755 /nfs/dbraw/zinc/85/07/55/585850755.db2.gz NVKFUHOXKDDUEY-OLZOCXBDSA-N 0 0 243.366 3.552 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@H](F)C(C)C ZINC000784133469 585850590 /nfs/dbraw/zinc/85/05/90/585850590.db2.gz NVKFUHOXKDDUEY-QWHCGFSZSA-N 0 0 243.366 3.552 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)[C@@H](F)C(C)C ZINC000784133471 585850748 /nfs/dbraw/zinc/85/07/48/585850748.db2.gz NVKFUHOXKDDUEY-STQMWFEESA-N 0 0 243.366 3.552 20 0 BHADRN Cc1cc(OC(=O)C(C)(C)C(C)C)ccc1F ZINC000784133624 585850762 /nfs/dbraw/zinc/85/07/62/585850762.db2.gz PNFZHVHNVQUNQU-UHFFFAOYSA-N 0 0 238.302 3.722 20 0 BHADRN CC(C)CN(CC(C)(C)C)C(=O)[C@H](F)C(C)C ZINC000784133693 585850887 /nfs/dbraw/zinc/85/08/87/585850887.db2.gz MGVLSAYLEDQTRE-GFCCVEGCSA-N 0 0 245.382 3.511 20 0 BHADRN CC(C)CN(CC(C)(C)C)C(=O)[C@@H](F)C(C)C ZINC000784133694 585850774 /nfs/dbraw/zinc/85/07/74/585850774.db2.gz MGVLSAYLEDQTRE-LBPRGKRZSA-N 0 0 245.382 3.511 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@@H](F)C(C)C ZINC000784134617 585850814 /nfs/dbraw/zinc/85/08/14/585850814.db2.gz XBMKHOHAGNDBHJ-AAEUAGOBSA-N 0 0 238.302 3.593 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@H](F)C(C)C ZINC000784134618 585850787 /nfs/dbraw/zinc/85/07/87/585850787.db2.gz XBMKHOHAGNDBHJ-DGCLKSJQSA-N 0 0 238.302 3.593 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@H](F)C(C)C ZINC000784134619 585850920 /nfs/dbraw/zinc/85/09/20/585850920.db2.gz XBMKHOHAGNDBHJ-WCQYABFASA-N 0 0 238.302 3.593 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@@H](F)C(C)C ZINC000784134620 585850833 /nfs/dbraw/zinc/85/08/33/585850833.db2.gz XBMKHOHAGNDBHJ-YPMHNXCESA-N 0 0 238.302 3.593 20 0 BHADRN Cc1cc(F)ccc1OC(=O)C(C)(C)C(C)C ZINC000784136136 585851076 /nfs/dbraw/zinc/85/10/76/585851076.db2.gz DCVCCXKIBQSRKP-UHFFFAOYSA-N 0 0 238.302 3.722 20 0 BHADRN Cc1ccc2c(c1)CCN2C(=O)C(C)(C)C(C)C ZINC000784147487 585851503 /nfs/dbraw/zinc/85/15/03/585851503.db2.gz XMVKFDVEXFQURX-UHFFFAOYSA-N 0 0 245.366 3.566 20 0 BHADRN Fc1ccc(Oc2nccs2)c(Cl)c1 ZINC000784148279 585851669 /nfs/dbraw/zinc/85/16/69/585851669.db2.gz TWQDQVFIRALMJP-UHFFFAOYSA-N 0 0 229.663 3.728 20 0 BHADRN CC[C@@H](OC(=O)[C@H](F)C(C)C)c1ccccc1 ZINC000784149043 585851815 /nfs/dbraw/zinc/85/18/15/585851815.db2.gz FAJSUPUJJUPAAM-CHWSQXEVSA-N 0 0 238.302 3.675 20 0 BHADRN CC[C@@H](OC(=O)[C@@H](F)C(C)C)c1ccccc1 ZINC000784149044 585851674 /nfs/dbraw/zinc/85/16/74/585851674.db2.gz FAJSUPUJJUPAAM-OLZOCXBDSA-N 0 0 238.302 3.675 20 0 BHADRN CC[C@H](OC(=O)[C@H](F)C(C)C)c1ccccc1 ZINC000784149045 585851665 /nfs/dbraw/zinc/85/16/65/585851665.db2.gz FAJSUPUJJUPAAM-QWHCGFSZSA-N 0 0 238.302 3.675 20 0 BHADRN CC[C@H](OC(=O)[C@@H](F)C(C)C)c1ccccc1 ZINC000784149046 585851791 /nfs/dbraw/zinc/85/17/91/585851791.db2.gz FAJSUPUJJUPAAM-STQMWFEESA-N 0 0 238.302 3.675 20 0 BHADRN Cc1ccsc1COC(=O)C(C)(C)C(C)C ZINC000784149849 585851656 /nfs/dbraw/zinc/85/16/56/585851656.db2.gz VEROBTQZZROZRO-UHFFFAOYSA-N 0 0 240.368 3.782 20 0 BHADRN O=C(OCc1cccs1)C(F)=C1CCCC1 ZINC000784153745 585851860 /nfs/dbraw/zinc/85/18/60/585851860.db2.gz XNKRCCWANRBCGE-UHFFFAOYSA-N 0 0 240.299 3.589 20 0 BHADRN Cc1cccc(OC(=O)C(C)(C)C(C)C)c1F ZINC000784158036 585852029 /nfs/dbraw/zinc/85/20/29/585852029.db2.gz YWELNPGUSUHKPS-UHFFFAOYSA-N 0 0 238.302 3.722 20 0 BHADRN CC[C@H]1CC[C@H](C(=O)NC23CCC(CC2)C3)CC1 ZINC000784158318 582989943 /nfs/dbraw/zinc/98/99/43/582989943.db2.gz LBBKMGWUEOPIDZ-ZCFLAXBTSA-N 0 0 249.398 3.652 20 0 BHADRN Cc1coc2ccc(NC(=O)[C@H](F)C(C)C)cc12 ZINC000784165653 585852324 /nfs/dbraw/zinc/85/23/24/585852324.db2.gz YNZKRJXYEWLOPB-CYBMUJFWSA-N 0 0 249.285 3.674 20 0 BHADRN Cc1coc2ccc(NC(=O)[C@@H](F)C(C)C)cc12 ZINC000784165654 585852317 /nfs/dbraw/zinc/85/23/17/585852317.db2.gz YNZKRJXYEWLOPB-ZDUSSCGKSA-N 0 0 249.285 3.674 20 0 BHADRN C[C@@H]1CN(c2ccnc(Cl)c2)CC(C)(C)C1 ZINC000784182688 585852698 /nfs/dbraw/zinc/85/26/98/585852698.db2.gz WDIKKGARDJAGND-JTQLQIEISA-N 0 0 238.762 3.607 20 0 BHADRN C[C@H]1CN(c2ccnc(Cl)c2)CC(C)(C)C1 ZINC000784182700 585852547 /nfs/dbraw/zinc/85/25/47/585852547.db2.gz WDIKKGARDJAGND-SNVBAGLBSA-N 0 0 238.762 3.607 20 0 BHADRN CCCC(C)(C)CC(=O)OCc1cnccc1C ZINC000784184896 585852710 /nfs/dbraw/zinc/85/27/10/585852710.db2.gz CGGWGHKGRZEYJU-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN CCCCCCC(=O)COC(=O)CC(C)(C)C ZINC000784186113 585852564 /nfs/dbraw/zinc/85/25/64/585852564.db2.gz IENKGYJAGBYNHT-UHFFFAOYSA-N 0 0 242.359 3.505 20 0 BHADRN c1ccc2oc(NC34CCC(CC3)C4)nc2c1 ZINC000784203865 585852924 /nfs/dbraw/zinc/85/29/24/585852924.db2.gz 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585861026 /nfs/dbraw/zinc/86/10/26/585861026.db2.gz KDHYKLSEQAGFSB-JPFFYJABSA-N 0 0 235.758 3.537 20 0 BHADRN Cc1ccc([C@H]2CC[N@H+](C/C=C/Cl)C2)cc1 ZINC000784476701 585861060 /nfs/dbraw/zinc/86/10/60/585861060.db2.gz KDHYKLSEQAGFSB-LPSTVZDBSA-N 0 0 235.758 3.537 20 0 BHADRN Cc1ccc([C@H]2CC[N@H+](C/C=C\Cl)C2)cc1 ZINC000784476705 585861079 /nfs/dbraw/zinc/86/10/79/585861079.db2.gz KDHYKLSEQAGFSB-OLUUIJGHSA-N 0 0 235.758 3.537 20 0 BHADRN Cc1ccc([C@@H]2CC[N@H+](C/C=C\Cl)C2)cc1 ZINC000784476709 585861145 /nfs/dbraw/zinc/86/11/45/585861145.db2.gz KDHYKLSEQAGFSB-UCEWNTHNSA-N 0 0 235.758 3.537 20 0 BHADRN Cc1cccc([C@@H]2CC[N@H+](C/C=C\Cl)C2)c1 ZINC000784479630 585860976 /nfs/dbraw/zinc/86/09/76/585860976.db2.gz VDZWHXXJVBGIAW-NMNMAYGDSA-N 0 0 235.758 3.537 20 0 BHADRN Cc1cccc([C@H]2CC[N@H+](C/C=C/Cl)C2)c1 ZINC000784479631 585861031 /nfs/dbraw/zinc/86/10/31/585861031.db2.gz VDZWHXXJVBGIAW-RRFAQUSLSA-N 0 0 235.758 3.537 20 0 BHADRN Cc1cccc([C@@H]2CC[N@H+](C/C=C/Cl)C2)c1 ZINC000784479632 585861007 /nfs/dbraw/zinc/86/10/07/585861007.db2.gz VDZWHXXJVBGIAW-UFZAZABTSA-N 0 0 235.758 3.537 20 0 BHADRN Cc1cccc([C@H]2CC[N@H+](C/C=C\Cl)C2)c1 ZINC000784479633 585861130 /nfs/dbraw/zinc/86/11/30/585861130.db2.gz VDZWHXXJVBGIAW-UMSKNGNOSA-N 0 0 235.758 3.537 20 0 BHADRN CCCC(C)(C)CC(=O)O[C@@H](C)C1CC1 ZINC000784488435 585861203 /nfs/dbraw/zinc/86/12/03/585861203.db2.gz KPUZGKXCSZDAMD-JTQLQIEISA-N 0 0 212.333 3.545 20 0 BHADRN CCCC(C)(C)CC(=O)O[C@H](C)C1CC1 ZINC000784488437 585861338 /nfs/dbraw/zinc/86/13/38/585861338.db2.gz KPUZGKXCSZDAMD-SNVBAGLBSA-N 0 0 212.333 3.545 20 0 BHADRN CC(C)[C@@H](F)C(=O)OC1CCCCCCC1 ZINC000784489139 585861179 /nfs/dbraw/zinc/86/11/79/585861179.db2.gz KFPQGIYIQZKEOF-GFCCVEGCSA-N 0 0 230.323 3.637 20 0 BHADRN CC(C)[C@H](F)C(=O)OC1CCCCCCC1 ZINC000784489140 585861238 /nfs/dbraw/zinc/86/12/38/585861238.db2.gz KFPQGIYIQZKEOF-LBPRGKRZSA-N 0 0 230.323 3.637 20 0 BHADRN CC(C)C(C)(C)C(=O)O[C@H](C)c1ccccc1 ZINC000784499484 585861605 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BHADRN Cc1cccc(OC(=O)C2(C)CCCC2)c1C ZINC000786284926 585889276 /nfs/dbraw/zinc/88/92/76/585889276.db2.gz BJCZXZWINQEEHP-UHFFFAOYSA-N 0 0 232.323 3.789 20 0 BHADRN CC(C)(C)C(=O)OCc1cccc(Cl)c1F ZINC000786287318 585889084 /nfs/dbraw/zinc/88/90/84/585889084.db2.gz MLPPQJJDFGQHIL-UHFFFAOYSA-N 0 0 244.693 3.568 20 0 BHADRN CCCOC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000786326810 636814111 /nfs/dbraw/zinc/81/41/11/636814111.db2.gz RSWPRDOKEFLGCR-LLVKDONJSA-N 0 0 245.322 3.615 20 0 BHADRN CCCOC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000786326812 636815375 /nfs/dbraw/zinc/81/53/75/636815375.db2.gz RSWPRDOKEFLGCR-NSHDSACASA-N 0 0 245.322 3.615 20 0 BHADRN CCCC(C)(C)CC(=O)OCc1ccoc1 ZINC000786338190 585889863 /nfs/dbraw/zinc/88/98/63/585889863.db2.gz SNNQJIHXFMPJEO-UHFFFAOYSA-N 0 0 224.300 3.539 20 0 BHADRN CCCC(C)(C)CC(=O)O[C@@H](C)CC ZINC000786342164 585889836 /nfs/dbraw/zinc/88/98/36/585889836.db2.gz FYCZIIBTSRAKDA-JTQLQIEISA-N 0 0 200.322 3.545 20 0 BHADRN CCCC(C)(C)CC(=O)O[C@H](C)CC ZINC000786342220 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/nfs/dbraw/zinc/89/47/00/585894700.db2.gz ZUCWCXPNBVEAHI-SECBINFHSA-N 0 0 234.286 3.544 20 0 BHADRN C[C@H](OC(=O)CC1CCCCCC1)C(F)F ZINC000786528513 585894625 /nfs/dbraw/zinc/89/46/25/585894625.db2.gz ZUCWCXPNBVEAHI-VIFPVBQESA-N 0 0 234.286 3.544 20 0 BHADRN CC1CCC(=CC(=O)N(C)C2(C)CCCC2)CC1 ZINC000786532455 585894706 /nfs/dbraw/zinc/89/47/06/585894706.db2.gz DWDNAGDDXQPFSX-UHFFFAOYSA-N 0 0 249.398 3.914 20 0 BHADRN CCCCCCC(=O)N(C)C1(C)CCCC1 ZINC000786533916 585894749 /nfs/dbraw/zinc/89/47/49/585894749.db2.gz AZXJJXHPMQEPJN-UHFFFAOYSA-N 0 0 225.376 3.748 20 0 BHADRN CN(C(=O)C=C(C1CC1)C1CC1)C1(C)CCCC1 ZINC000786537156 585894827 /nfs/dbraw/zinc/89/48/27/585894827.db2.gz ZJZUUEZRBPERSL-UHFFFAOYSA-N 0 0 247.382 3.524 20 0 BHADRN C/C(=C/C(=O)N(C)C1(C)CCCC1)C(C)(C)C ZINC000786537231 585894865 /nfs/dbraw/zinc/89/48/65/585894865.db2.gz FWRUOZDDIAZHPV-QXMHVHEDSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C\C(=O)N(C)C1(C)CCCC1)C(C)(C)C ZINC000786537232 585894921 /nfs/dbraw/zinc/89/49/21/585894921.db2.gz FWRUOZDDIAZHPV-VAWYXSNFSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)N(C)C1(C)CCCC1)CC ZINC000786537412 585894853 /nfs/dbraw/zinc/89/48/53/585894853.db2.gz GWMBVCWSHVYZLK-UHFFFAOYSA-N 0 0 223.360 3.524 20 0 BHADRN CN(C(=O)C=C1CCCCC1)C1(C)CCCC1 ZINC000786538367 585894879 /nfs/dbraw/zinc/89/48/79/585894879.db2.gz KWSUIMWGIQIPHX-UHFFFAOYSA-N 0 0 235.371 3.668 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)C1(C)CCCC1 ZINC000786538428 585894848 /nfs/dbraw/zinc/89/48/48/585894848.db2.gz LRNUSBNFJVQLQF-QXMHVHEDSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)C1(C)CCCC1 ZINC000786538429 585894845 /nfs/dbraw/zinc/89/48/45/585894845.db2.gz LRNUSBNFJVQLQF-VAWYXSNFSA-N 0 0 223.360 3.524 20 0 BHADRN CN(C(=O)/C=C/c1cccs1)C1(C)CCCC1 ZINC000786538484 585894946 /nfs/dbraw/zinc/89/49/46/585894946.db2.gz MAHDZRODKKPODS-BQYQJAHWSA-N 0 0 249.379 3.552 20 0 BHADRN CN(C(=O)/C=C\c1cccs1)C1(C)CCCC1 ZINC000786538485 585894833 /nfs/dbraw/zinc/89/48/33/585894833.db2.gz MAHDZRODKKPODS-FPLPWBNLSA-N 0 0 249.379 3.552 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N(C)C1(C)CCCC1 ZINC000786541791 585894838 /nfs/dbraw/zinc/89/48/38/585894838.db2.gz REMXWVMUDGOMSP-QXMHVHEDSA-N 0 0 237.387 3.770 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N(C)C1(C)CCCC1 ZINC000786541792 585894801 /nfs/dbraw/zinc/89/48/01/585894801.db2.gz REMXWVMUDGOMSP-VAWYXSNFSA-N 0 0 237.387 3.770 20 0 BHADRN CN(C(=O)/C=C\C1CCCCC1)C1(C)CCCC1 ZINC000786542256 585894974 /nfs/dbraw/zinc/89/49/74/585894974.db2.gz HXCPIMJPHPCLDA-KHPPLWFESA-N 0 0 249.398 3.914 20 0 BHADRN CN(C(=O)/C=C/C1CCCCC1)C1(C)CCCC1 ZINC000786542260 585894984 /nfs/dbraw/zinc/89/49/84/585894984.db2.gz HXCPIMJPHPCLDA-ZHACJKMWSA-N 0 0 249.398 3.914 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)N(C)C2(C)CCCC2)C1 ZINC000786542959 585894861 /nfs/dbraw/zinc/89/48/61/585894861.db2.gz SNFWUTKCOFTDFS-KLDSGFLGSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)N(C)C2(C)CCCC2)C1 ZINC000786542960 585894959 /nfs/dbraw/zinc/89/49/59/585894959.db2.gz SNFWUTKCOFTDFS-NPRUJURCSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)N(C)C2(C)CCCC2)C1 ZINC000786542961 585894989 /nfs/dbraw/zinc/89/49/89/585894989.db2.gz SNFWUTKCOFTDFS-OWRWYXLESA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)N(C)C2(C)CCCC2)C1 ZINC000786542962 585894936 /nfs/dbraw/zinc/89/49/36/585894936.db2.gz SNFWUTKCOFTDFS-RVROTUBLSA-N 0 0 235.371 3.524 20 0 BHADRN CN(C(=O)C(F)=C1CCCC1)C1(C)CCCC1 ZINC000786544262 585894991 /nfs/dbraw/zinc/89/49/91/585894991.db2.gz YYDWWOLABTVIPD-UHFFFAOYSA-N 0 0 239.334 3.575 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)C1(C)CCCC1 ZINC000786544300 585894924 /nfs/dbraw/zinc/89/49/24/585894924.db2.gz ZWJBOCPGXJVABN-QXMHVHEDSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)C1(C)CCCC1 ZINC000786544301 585894988 /nfs/dbraw/zinc/89/49/88/585894988.db2.gz ZWJBOCPGXJVABN-VAWYXSNFSA-N 0 0 223.360 3.524 20 0 BHADRN CC(C)/C=C\C(=O)OCc1sccc1Cl ZINC000786546200 585894934 /nfs/dbraw/zinc/89/49/34/585894934.db2.gz YACVTFNDQFSCFV-ARJAWSKDSA-N 0 0 244.743 3.657 20 0 BHADRN CC(C)/C=C/C(=O)OCc1sccc1Cl ZINC000786546201 585894884 /nfs/dbraw/zinc/89/48/84/585894884.db2.gz YACVTFNDQFSCFV-ONEGZZNKSA-N 0 0 244.743 3.657 20 0 BHADRN CSc1cnc(Sc2ccc(C)cc2)nc1 ZINC000786561287 585895077 /nfs/dbraw/zinc/89/50/77/585895077.db2.gz PYZPRIPPDLOHKU-UHFFFAOYSA-N 0 0 248.376 3.658 20 0 BHADRN CSc1cnc(Nc2cc(C)cc(C)c2)nc1 ZINC000786562318 585895068 /nfs/dbraw/zinc/89/50/68/585895068.db2.gz UWIIDRCDKHXLBG-UHFFFAOYSA-N 0 0 245.351 3.559 20 0 BHADRN CCc1ccc(Nc2ncc(SC)cn2)cc1 ZINC000786562363 585895197 /nfs/dbraw/zinc/89/51/97/585895197.db2.gz VVCAMLDAJQZJMQ-UHFFFAOYSA-N 0 0 245.351 3.505 20 0 BHADRN CSc1cnc(Nc2ccc(C)c(C)c2)nc1 ZINC000786563101 585895096 /nfs/dbraw/zinc/89/50/96/585895096.db2.gz YIPRRYUVQJLPKO-UHFFFAOYSA-N 0 0 245.351 3.559 20 0 BHADRN Cc1ccc(OC(=O)C2(C)CCCC2)c(C)c1 ZINC000786584153 585895381 /nfs/dbraw/zinc/89/53/81/585895381.db2.gz SALUBYQQMNSFJU-UHFFFAOYSA-N 0 0 232.323 3.789 20 0 BHADRN CC(=O)[C@@H](C)Sc1cccc(C(F)(F)F)c1 ZINC000786597786 585895527 /nfs/dbraw/zinc/89/55/27/585895527.db2.gz XYXLYMUJKRVVHS-MRVPVSSYSA-N 0 0 248.269 3.775 20 0 BHADRN CC(=O)[C@H](C)Sc1cccc(C(F)(F)F)c1 ZINC000786597787 585895523 /nfs/dbraw/zinc/89/55/23/585895523.db2.gz XYXLYMUJKRVVHS-QMMMGPOBSA-N 0 0 248.269 3.775 20 0 BHADRN Cc1cc(Cl)cc(C)c1OC(=O)[C@@H]1C[C@H]1C ZINC000786609678 644778505 /nfs/dbraw/zinc/77/85/05/644778505.db2.gz QJKSAPXYNHTLKJ-RDDDGLTNSA-N 0 0 238.714 3.518 20 0 BHADRN C[C@H](OC(=O)C1=CCC1)c1cc2ccccc2o1 ZINC000786659427 585896114 /nfs/dbraw/zinc/89/61/14/585896114.db2.gz KPTADSSYXQRYRR-JTQLQIEISA-N 0 0 242.274 3.757 20 0 BHADRN CC(C)=C(C)C(=O)N1CCC=Cc2ccccc21 ZINC000786671025 585895878 /nfs/dbraw/zinc/89/58/78/585895878.db2.gz RHOZBJUVTIIZCA-UHFFFAOYSA-N 0 0 241.334 3.793 20 0 BHADRN Cc1sccc1CC(=O)Oc1ccc(C)cc1 ZINC000786707744 585896573 /nfs/dbraw/zinc/89/65/73/585896573.db2.gz KADIXFGGIQIBEJ-UHFFFAOYSA-N 0 0 246.331 3.513 20 0 BHADRN CCc1cccc(CSc2nccn2CC)c1 ZINC000786714704 585896831 /nfs/dbraw/zinc/89/68/31/585896831.db2.gz YADMLMICPVEGBP-UHFFFAOYSA-N 0 0 246.379 3.758 20 0 BHADRN CCc1cccc(COc2cccnc2Cl)c1 ZINC000786728062 585896835 /nfs/dbraw/zinc/89/68/35/585896835.db2.gz VELLEFXEHYBLTO-UHFFFAOYSA-N 0 0 247.725 3.876 20 0 BHADRN Cc1cc(C)nc(SCc2ccc(F)cn2)c1 ZINC000786741979 585897063 /nfs/dbraw/zinc/89/70/63/585897063.db2.gz RDQATCHMUDWOQA-UHFFFAOYSA-N 0 0 248.326 3.525 20 0 BHADRN CCSCCSc1cc(C)cc(C)n1 ZINC000786744008 585897092 /nfs/dbraw/zinc/89/70/92/585897092.db2.gz LAFMUWPGGVKUSA-UHFFFAOYSA-N 0 0 227.398 3.544 20 0 BHADRN Cc1nonc1CSC1CCC(C)(C)CC1 ZINC000786749735 585897186 /nfs/dbraw/zinc/89/71/86/585897186.db2.gz USTTYEWWWRTDPT-UHFFFAOYSA-N 0 0 240.372 3.580 20 0 BHADRN Clc1ccc2cccc(OCC3CC3)c2n1 ZINC000786756037 585897233 /nfs/dbraw/zinc/89/72/33/585897233.db2.gz ORZIGHLSHHXIOX-UHFFFAOYSA-N 0 0 233.698 3.677 20 0 BHADRN CCc1cccc(CNc2ccc(OC)cc2)c1 ZINC000786762715 585897235 /nfs/dbraw/zinc/89/72/35/585897235.db2.gz PTXGSEQVTYSHPJ-UHFFFAOYSA-N 0 0 241.334 3.870 20 0 BHADRN CCCCCCNc1cc(CO)c(C)cc1C ZINC000786777727 585897418 /nfs/dbraw/zinc/89/74/18/585897418.db2.gz XBGOBPCMFGIETN-UHFFFAOYSA-N 0 0 235.371 3.788 20 0 BHADRN CCCCCCSCC[C@H]1CCCO1 ZINC000786799560 585897682 /nfs/dbraw/zinc/89/76/82/585897682.db2.gz ITKSDGXHDBHZHW-GFCCVEGCSA-N 0 0 216.390 3.869 20 0 BHADRN CCCCCCSCC[C@@H]1CCCO1 ZINC000786799568 585897642 /nfs/dbraw/zinc/89/76/42/585897642.db2.gz ITKSDGXHDBHZHW-LBPRGKRZSA-N 0 0 216.390 3.869 20 0 BHADRN CCCCCCSCCOCC(F)F ZINC000786800245 585897481 /nfs/dbraw/zinc/89/74/81/585897481.db2.gz PNDQPRNHYPHQQJ-UHFFFAOYSA-N 0 0 226.332 3.582 20 0 BHADRN COC(C)(C)CCSCCc1cccs1 ZINC000786801385 585897536 /nfs/dbraw/zinc/89/75/36/585897536.db2.gz WPAONDCPIDALFK-UHFFFAOYSA-N 0 0 244.425 3.839 20 0 BHADRN CCc1cccc(CSCCSC)c1 ZINC000786806445 585897454 /nfs/dbraw/zinc/89/74/54/585897454.db2.gz LLSVYMYYIZXMNW-UHFFFAOYSA-N 0 0 226.410 3.845 20 0 BHADRN Cc1nc(C)c(C)c(Oc2cc(F)ccc2C)n1 ZINC000786822823 585897691 /nfs/dbraw/zinc/89/76/91/585897691.db2.gz DKUBEXHGSNHOIP-UHFFFAOYSA-N 0 0 246.285 3.642 20 0 BHADRN CCC1(CC)Oc2ccc(NCC3CC3)cc2O1 ZINC000786830366 585897901 /nfs/dbraw/zinc/89/79/01/585897901.db2.gz BHKDDGHTLLAUOR-UHFFFAOYSA-N 0 0 247.338 3.796 20 0 BHADRN Cc1cc(CN[C@@H](C(C)C)C(F)(F)F)c(C)o1 ZINC000786839851 585897832 /nfs/dbraw/zinc/89/78/32/585897832.db2.gz GSLSUORWCJXOOU-NSHDSACASA-N 0 0 249.276 3.573 20 0 BHADRN CC(C)CCn1c(=O)ccc2ccc(Cl)cc21 ZINC000786894390 585898356 /nfs/dbraw/zinc/89/83/56/585898356.db2.gz PIBBJABYOFUWOU-UHFFFAOYSA-N 0 0 249.741 3.701 20 0 BHADRN CCCCCn1c(=O)ccc2ccc(Cl)cc21 ZINC000786894883 585898393 /nfs/dbraw/zinc/89/83/93/585898393.db2.gz WZAGQOVRMCNJKW-UHFFFAOYSA-N 0 0 249.741 3.845 20 0 BHADRN Cc1sccc1CC(=O)Oc1ccccc1C ZINC000786926368 585898749 /nfs/dbraw/zinc/89/87/49/585898749.db2.gz MCHFQUKYKZWQBI-UHFFFAOYSA-N 0 0 246.331 3.513 20 0 BHADRN Cc1sccc1CC(=O)Oc1cccc(C)c1 ZINC000786927451 585898808 /nfs/dbraw/zinc/89/88/08/585898808.db2.gz UWBVYNHNDWVTBV-UHFFFAOYSA-N 0 0 246.331 3.513 20 0 BHADRN Cc1sccc1CC(=O)OCCCC(C)C ZINC000786928945 585898768 /nfs/dbraw/zinc/89/87/68/585898768.db2.gz BKFAYDPFHDDYQW-UHFFFAOYSA-N 0 0 240.368 3.578 20 0 BHADRN Cc1sccc1CC(=O)O[C@@H](C)CC(C)C ZINC000786933080 585898714 /nfs/dbraw/zinc/89/87/14/585898714.db2.gz BOGOWHRBVFWNFH-JTQLQIEISA-N 0 0 240.368 3.577 20 0 BHADRN Cc1sccc1CC(=O)O[C@H](C)CC(C)C ZINC000786933081 585898818 /nfs/dbraw/zinc/89/88/18/585898818.db2.gz BOGOWHRBVFWNFH-SNVBAGLBSA-N 0 0 240.368 3.577 20 0 BHADRN Cc1sccc1CC(=O)OCCC(C)(C)C ZINC000786953788 585898934 /nfs/dbraw/zinc/89/89/34/585898934.db2.gz LXIOGRVXLHJOSX-UHFFFAOYSA-N 0 0 240.368 3.578 20 0 BHADRN CCC(C)(C)COC(=O)Cc1ccsc1C ZINC000786953823 585899070 /nfs/dbraw/zinc/89/90/70/585899070.db2.gz NDUZMNVTVYBXTD-UHFFFAOYSA-N 0 0 240.368 3.578 20 0 BHADRN CCC[C@@H](CC)OC(=O)Cc1ccsc1C ZINC000786958863 585899220 /nfs/dbraw/zinc/89/92/20/585899220.db2.gz NTFUREOBAKBODX-GFCCVEGCSA-N 0 0 240.368 3.721 20 0 BHADRN CCC[C@H](CC)OC(=O)Cc1ccsc1C ZINC000786958865 585899265 /nfs/dbraw/zinc/89/92/65/585899265.db2.gz NTFUREOBAKBODX-LBPRGKRZSA-N 0 0 240.368 3.721 20 0 BHADRN CCCC[C@H](C)OC(=O)Cc1ccsc1C ZINC000786961497 585899274 /nfs/dbraw/zinc/89/92/74/585899274.db2.gz ZYIZFBALAZEQNL-JTQLQIEISA-N 0 0 240.368 3.721 20 0 BHADRN CCCC[C@@H](C)OC(=O)Cc1ccsc1C ZINC000786961499 585899193 /nfs/dbraw/zinc/89/91/93/585899193.db2.gz ZYIZFBALAZEQNL-SNVBAGLBSA-N 0 0 240.368 3.721 20 0 BHADRN CCC1(CC)Oc2ccc(NC(C)C)cc2O1 ZINC000786970589 585899293 /nfs/dbraw/zinc/89/92/93/585899293.db2.gz SIWFNGKRCBFADW-UHFFFAOYSA-N 0 0 235.327 3.794 20 0 BHADRN CCCCSCCC(=O)O[C@H](C)CCC ZINC000786979784 585899520 /nfs/dbraw/zinc/89/95/20/585899520.db2.gz BGDOHFWKLMDTHP-LLVKDONJSA-N 0 0 232.389 3.642 20 0 BHADRN CCCCSCCC(=O)O[C@@H](C)CCC ZINC000786979785 585899462 /nfs/dbraw/zinc/89/94/62/585899462.db2.gz BGDOHFWKLMDTHP-NSHDSACASA-N 0 0 232.389 3.642 20 0 BHADRN CCCCS[C@H](C)C(=O)O[C@H](C)CCC ZINC000786983558 585899401 /nfs/dbraw/zinc/89/94/01/585899401.db2.gz IZSJHKCAONCCBI-GHMZBOCLSA-N 0 0 232.389 3.640 20 0 BHADRN CCCCS[C@@H](C)C(=O)O[C@H](C)CCC ZINC000786983559 585899342 /nfs/dbraw/zinc/89/93/42/585899342.db2.gz IZSJHKCAONCCBI-MNOVXSKESA-N 0 0 232.389 3.640 20 0 BHADRN CCCCS[C@@H](C)C(=O)O[C@@H](C)CCC ZINC000786983563 585899496 /nfs/dbraw/zinc/89/94/96/585899496.db2.gz IZSJHKCAONCCBI-QWRGUYRKSA-N 0 0 232.389 3.640 20 0 BHADRN CCCCS[C@H](C)C(=O)O[C@@H](C)CCC ZINC000786983565 585899313 /nfs/dbraw/zinc/89/93/13/585899313.db2.gz IZSJHKCAONCCBI-WDEREUQCSA-N 0 0 232.389 3.640 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)[C@H]1CCC=CO1 ZINC000787036474 585900021 /nfs/dbraw/zinc/90/00/21/585900021.db2.gz ZAHXDOUOBNWKJJ-CHWSQXEVSA-N 0 0 240.343 3.581 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)[C@@H]1CCC=CO1 ZINC000787036475 585899799 /nfs/dbraw/zinc/89/97/99/585899799.db2.gz ZAHXDOUOBNWKJJ-OLZOCXBDSA-N 0 0 240.343 3.581 20 0 BHADRN CCCC[C@H](CCC)OC(=O)[C@H]1CCC=CO1 ZINC000787036478 585899595 /nfs/dbraw/zinc/89/95/95/585899595.db2.gz ZAHXDOUOBNWKJJ-QWHCGFSZSA-N 0 0 240.343 3.581 20 0 BHADRN CCCC[C@H](CCC)OC(=O)[C@@H]1CCC=CO1 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/nfs/dbraw/zinc/90/08/06/585900806.db2.gz CISRRHQVAZXWDZ-UTCJRWHESA-N 0 0 245.105 3.558 20 0 BHADRN Cc1c(Cl)cccc1C(=O)OC/C=C/Cl ZINC000787085929 585900715 /nfs/dbraw/zinc/90/07/15/585900715.db2.gz CISRRHQVAZXWDZ-ZZXKWVIFSA-N 0 0 245.105 3.558 20 0 BHADRN CCCC(C)(C)CC(=O)OCc1ccc(C)cn1 ZINC000787087973 585900946 /nfs/dbraw/zinc/90/09/46/585900946.db2.gz IDFAYMADYJSENO-UHFFFAOYSA-N 0 0 249.354 3.650 20 0 BHADRN CCCC[C@@H](CCC)OC(=O)CC(C)(C)OC ZINC000787124943 585901623 /nfs/dbraw/zinc/90/16/23/585901623.db2.gz KGSYDVRGFDOPRO-GFCCVEGCSA-N 0 0 244.375 3.704 20 0 BHADRN CCCC[C@H](CCC)OC(=O)CC(C)(C)OC ZINC000787124949 585901810 /nfs/dbraw/zinc/90/18/10/585901810.db2.gz KGSYDVRGFDOPRO-LBPRGKRZSA-N 0 0 244.375 3.704 20 0 BHADRN COC(C)(C)CCN1CCCc2cc(C)ccc21 ZINC000787158646 585902323 /nfs/dbraw/zinc/90/23/23/585902323.db2.gz XKDUKZDAFHZGFW-UHFFFAOYSA-N 0 0 247.382 3.563 20 0 BHADRN CSC1(C(=O)OCCCC(C)(C)C)CCC1 ZINC000787245950 585902947 /nfs/dbraw/zinc/90/29/47/585902947.db2.gz 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/nfs/dbraw/zinc/92/88/50/585928850.db2.gz GFYJUVICVSMVSS-BFTHVDOESA-N 0 0 225.376 3.675 20 0 BHADRN C/C=C(/CC)C(=O)NC[C@@H](CC)CCCC ZINC000788672759 585928804 /nfs/dbraw/zinc/92/88/04/585928804.db2.gz GFYJUVICVSMVSS-BPLGCGBFSA-N 0 0 225.376 3.675 20 0 BHADRN C/C=C(\CC)C(=O)NC[C@H](CC)CCCC ZINC000788672761 585928808 /nfs/dbraw/zinc/92/88/08/585928808.db2.gz GFYJUVICVSMVSS-GKWYLQRDSA-N 0 0 225.376 3.675 20 0 BHADRN C/C=C(/CC)C(=O)N[C@@H](C)CCCCCC ZINC000788672982 585928827 /nfs/dbraw/zinc/92/88/27/585928827.db2.gz IAZXTTPQDSJTNV-CHDKLRHSSA-N 0 0 225.376 3.818 20 0 BHADRN C/C=C(\CC)C(=O)N[C@@H](C)CCCCCC ZINC000788672983 585928857 /nfs/dbraw/zinc/92/88/57/585928857.db2.gz IAZXTTPQDSJTNV-DTCSVVGVSA-N 0 0 225.376 3.818 20 0 BHADRN C/C=C(\CC)C(=O)N[C@H](C)CCCCCC ZINC000788672985 585928895 /nfs/dbraw/zinc/92/88/95/585928895.db2.gz IAZXTTPQDSJTNV-FIKOHSHLSA-N 0 0 225.376 3.818 20 0 BHADRN C/C=C(/CC)C(=O)N[C@H](C)CCCCCC ZINC000788672986 585928878 /nfs/dbraw/zinc/92/88/78/585928878.db2.gz IAZXTTPQDSJTNV-UHJIQDEKSA-N 0 0 225.376 3.818 20 0 BHADRN C/C=C(/CC)C(=O)Nc1cccc2c1CCCC2 ZINC000788673108 585928812 /nfs/dbraw/zinc/92/88/12/585928812.db2.gz LEZYIWGADGAVNO-BASWHVEKSA-N 0 0 243.350 3.860 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cccc2c1CCCC2 ZINC000788673116 585928913 /nfs/dbraw/zinc/92/89/13/585928913.db2.gz LEZYIWGADGAVNO-KGVSQERTSA-N 0 0 243.350 3.860 20 0 BHADRN COc1ccc(N[C@@H]2CC=C(C)CC2)c(OC)c1 ZINC000788687779 585929148 /nfs/dbraw/zinc/92/91/48/585929148.db2.gz DVJYWJLWLZVDCK-GFCCVEGCSA-N 0 0 247.338 3.615 20 0 BHADRN COc1ccc(N[C@H]2CC=C(C)CC2)c(OC)c1 ZINC000788687781 585929062 /nfs/dbraw/zinc/92/90/62/585929062.db2.gz DVJYWJLWLZVDCK-LBPRGKRZSA-N 0 0 247.338 3.615 20 0 BHADRN CCc1ccc(N[C@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000788688160 585929131 /nfs/dbraw/zinc/92/91/31/585929131.db2.gz FNYNPCGPIHSXRN-LLVKDONJSA-N 0 0 242.322 3.523 20 0 BHADRN CCc1ccc(N[C@@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000788688163 585929153 /nfs/dbraw/zinc/92/91/53/585929153.db2.gz FNYNPCGPIHSXRN-NSHDSACASA-N 0 0 242.322 3.523 20 0 BHADRN Cc1cc(N(C)C)ccc1N[C@H]1CC=C(C)CC1 ZINC000788689830 585929141 /nfs/dbraw/zinc/92/91/41/585929141.db2.gz JCHULPCVTBQPGG-AWEZNQCLSA-N 0 0 244.382 3.972 20 0 BHADRN Cc1cc(N(C)C)ccc1N[C@@H]1CC=C(C)CC1 ZINC000788689846 585929158 /nfs/dbraw/zinc/92/91/58/585929158.db2.gz JCHULPCVTBQPGG-CQSZACIVSA-N 0 0 244.382 3.972 20 0 BHADRN CCc1ccccc1N[C@H](C)c1cc[nH]c(=O)c1 ZINC000788690521 585929045 /nfs/dbraw/zinc/92/90/45/585929045.db2.gz JVAMQGGYSUHZKO-LLVKDONJSA-N 0 0 242.322 3.523 20 0 BHADRN CCc1ccccc1N[C@@H](C)c1cc[nH]c(=O)c1 ZINC000788690524 585929085 /nfs/dbraw/zinc/92/90/85/585929085.db2.gz JVAMQGGYSUHZKO-NSHDSACASA-N 0 0 242.322 3.523 20 0 BHADRN C/C=C(\CC)C(=O)N(C)Cc1ccc(CC)cc1 ZINC000788690700 585929171 /nfs/dbraw/zinc/92/91/71/585929171.db2.gz MOMNPHJEXYJUMD-GIDUJCDVSA-N 0 0 245.366 3.564 20 0 BHADRN C/C=C(/CC)C(=O)N(C)Cc1ccc(CC)cc1 ZINC000788690701 585929195 /nfs/dbraw/zinc/92/91/95/585929195.db2.gz MOMNPHJEXYJUMD-UUASQNMZSA-N 0 0 245.366 3.564 20 0 BHADRN C/C=C(\CC)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000788691399 585929186 /nfs/dbraw/zinc/92/91/86/585929186.db2.gz WLJJARSIRRHGHI-DTHCKZEYSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(/CC)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000788691401 585929052 /nfs/dbraw/zinc/92/90/52/585929052.db2.gz WLJJARSIRRHGHI-KSKAUBAUSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(\CC)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000788691404 585929106 /nfs/dbraw/zinc/92/91/06/585929106.db2.gz WLJJARSIRRHGHI-WQPBDQAGSA-N 0 0 245.366 3.856 20 0 BHADRN C/C=C(/CC)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000788691406 585929113 /nfs/dbraw/zinc/92/91/13/585929113.db2.gz WLJJARSIRRHGHI-XNISGLLXSA-N 0 0 245.366 3.856 20 0 BHADRN CCc1cccc(N[C@H](C)c2cc[nH]c(=O)c2)c1 ZINC000788692355 585929154 /nfs/dbraw/zinc/92/91/54/585929154.db2.gz QNOHPEXUJXAXEL-LLVKDONJSA-N 0 0 242.322 3.523 20 0 BHADRN CCc1cccc(N[C@@H](C)c2cc[nH]c(=O)c2)c1 ZINC000788692356 585929183 /nfs/dbraw/zinc/92/91/83/585929183.db2.gz QNOHPEXUJXAXEL-NSHDSACASA-N 0 0 242.322 3.523 20 0 BHADRN COc1ccc(N[C@@H]2CC=C(C)CC2)cc1F ZINC000788693813 585929046 /nfs/dbraw/zinc/92/90/46/585929046.db2.gz XRPYHHRROKFFKD-LLVKDONJSA-N 0 0 235.302 3.745 20 0 BHADRN COc1ccc(N[C@H]2CC=C(C)CC2)cc1F ZINC000788693821 585929102 /nfs/dbraw/zinc/92/91/02/585929102.db2.gz XRPYHHRROKFFKD-NSHDSACASA-N 0 0 235.302 3.745 20 0 BHADRN CCOc1ccc(N[C@@H]2CC=C(C)CC2)cc1 ZINC000788694588 585929089 /nfs/dbraw/zinc/92/90/89/585929089.db2.gz WPIDRBPCCLNMSH-CYBMUJFWSA-N 0 0 231.339 3.996 20 0 BHADRN CCOc1ccc(N[C@H]2CC=C(C)CC2)cc1 ZINC000788694589 585929173 /nfs/dbraw/zinc/92/91/73/585929173.db2.gz WPIDRBPCCLNMSH-ZDUSSCGKSA-N 0 0 231.339 3.996 20 0 BHADRN C/C=C(/CC)C(=O)N[C@@H](C)CCCC(C)C ZINC000788696909 585929194 /nfs/dbraw/zinc/92/91/94/585929194.db2.gz KZLWYCGDNOQUKG-CHDKLRHSSA-N 0 0 225.376 3.674 20 0 BHADRN C/C=C(\CC)C(=O)N[C@@H](C)CCCC(C)C ZINC000788697010 585929248 /nfs/dbraw/zinc/92/92/48/585929248.db2.gz KZLWYCGDNOQUKG-DTCSVVGVSA-N 0 0 225.376 3.674 20 0 BHADRN C/C=C(\CC)C(=O)N[C@H](C)CCCC(C)C ZINC000788697011 585928865 /nfs/dbraw/zinc/92/88/65/585928865.db2.gz KZLWYCGDNOQUKG-FIKOHSHLSA-N 0 0 225.376 3.674 20 0 BHADRN C/C=C(/CC)C(=O)N[C@H](C)CCCC(C)C ZINC000788697013 585928870 /nfs/dbraw/zinc/92/88/70/585928870.db2.gz KZLWYCGDNOQUKG-UHJIQDEKSA-N 0 0 225.376 3.674 20 0 BHADRN C/C=C(\CC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000788697882 585929097 /nfs/dbraw/zinc/92/90/97/585929097.db2.gz YJZICVJURWTJHE-YJOZJNAKSA-N 0 0 249.398 3.818 20 0 BHADRN C/C=C(\CC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000788697883 585929257 /nfs/dbraw/zinc/92/92/57/585929257.db2.gz YJZICVJURWTJHE-YSOZTGNNSA-N 0 0 249.398 3.818 20 0 BHADRN C/C=C(/CC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000788697884 585929268 /nfs/dbraw/zinc/92/92/68/585929268.db2.gz YJZICVJURWTJHE-ZLTAOWKVSA-N 0 0 249.398 3.818 20 0 BHADRN C/C=C(/CC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000788697885 585929274 /nfs/dbraw/zinc/92/92/74/585929274.db2.gz YJZICVJURWTJHE-ZNBLQJNHSA-N 0 0 249.398 3.818 20 0 BHADRN C/C=C(/CC)C(=O)N(CCC)Cc1ccccc1 ZINC000788698000 585929449 /nfs/dbraw/zinc/92/94/49/585929449.db2.gz LISFRQAWLQIYBN-WCSRMQSCSA-N 0 0 245.366 3.782 20 0 BHADRN C/C=C(/CC)C(=O)Nc1ccc(CCC)cc1 ZINC000788698992 585929340 /nfs/dbraw/zinc/92/93/40/585929340.db2.gz PLZPEPUZLZJJGL-ACAGNQJTSA-N 0 0 231.339 3.934 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccc(CCC)cc1 ZINC000788698993 585929263 /nfs/dbraw/zinc/92/92/63/585929263.db2.gz PLZPEPUZLZJJGL-WLRTZDKTSA-N 0 0 231.339 3.934 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000788708421 585929378 /nfs/dbraw/zinc/92/93/78/585929378.db2.gz IWXWOLRWEPDPST-ONNFQVAWSA-N 0 0 237.730 3.943 20 0 BHADRN C/C=C(/CC)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000788708426 585929355 /nfs/dbraw/zinc/92/93/55/585929355.db2.gz IWXWOLRWEPDPST-WMZJFQQLSA-N 0 0 237.730 3.943 20 0 BHADRN CC1=CC[C@@H](Nc2ccc(N(C)C)cc2)CC1 ZINC000788717664 585929586 /nfs/dbraw/zinc/92/95/86/585929586.db2.gz GQDAXZOKTHLYSL-CYBMUJFWSA-N 0 0 230.355 3.663 20 0 BHADRN CC1=CC[C@H](Nc2ccc(N(C)C)cc2)CC1 ZINC000788717665 585929654 /nfs/dbraw/zinc/92/96/54/585929654.db2.gz GQDAXZOKTHLYSL-ZDUSSCGKSA-N 0 0 230.355 3.663 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)c2cc[nH]c(=O)c2)c1 ZINC000788719041 585929507 /nfs/dbraw/zinc/92/95/07/585929507.db2.gz NZEYJFCFDZOABC-GFCCVEGCSA-N 0 0 242.322 3.577 20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)c2cc[nH]c(=O)c2)c1 ZINC000788719042 585929550 /nfs/dbraw/zinc/92/95/50/585929550.db2.gz NZEYJFCFDZOABC-LBPRGKRZSA-N 0 0 242.322 3.577 20 0 BHADRN C/C=C(/CC)C(=O)Nc1cccc(OCCC)c1 ZINC000788729495 585929909 /nfs/dbraw/zinc/92/99/09/585929909.db2.gz YPJSKTQPRAMHOE-XGICHPGQSA-N 0 0 247.338 3.770 20 0 BHADRN COc1ccc(N[C@@H]2CC=C(C)CC2)c(C)c1 ZINC000788729715 585929748 /nfs/dbraw/zinc/92/97/48/585929748.db2.gz TYAVEFNBNBIJKX-CYBMUJFWSA-N 0 0 231.339 3.914 20 0 BHADRN COc1ccc(N[C@H]2CC=C(C)CC2)c(C)c1 ZINC000788729716 585929711 /nfs/dbraw/zinc/92/97/11/585929711.db2.gz TYAVEFNBNBIJKX-ZDUSSCGKSA-N 0 0 231.339 3.914 20 0 BHADRN Cc1cc2c(cc1N[C@@H]1CC=C(C)CC1)OCO2 ZINC000788731325 585929879 /nfs/dbraw/zinc/92/98/79/585929879.db2.gz AVBMAPQGSRVXFF-GFCCVEGCSA-N 0 0 245.322 3.634 20 0 BHADRN Cc1cc2c(cc1N[C@H]1CC=C(C)CC1)OCO2 ZINC000788731327 585929935 /nfs/dbraw/zinc/92/99/35/585929935.db2.gz AVBMAPQGSRVXFF-LBPRGKRZSA-N 0 0 245.322 3.634 20 0 BHADRN CC1=CC[C@H](Nc2ccc3c(c2)CCCO3)CC1 ZINC000788731954 585929724 /nfs/dbraw/zinc/92/97/24/585929724.db2.gz AHANYAYJWIEMDE-AWEZNQCLSA-N 0 0 243.350 3.922 20 0 BHADRN CC1=CC[C@@H](Nc2ccc3c(c2)CCCO3)CC1 ZINC000788731958 585929744 /nfs/dbraw/zinc/92/97/44/585929744.db2.gz AHANYAYJWIEMDE-CQSZACIVSA-N 0 0 243.350 3.922 20 0 BHADRN C/C=C(\CC)C(=O)N(CCCCC)C(C)C ZINC000788732037 585929747 /nfs/dbraw/zinc/92/97/47/585929747.db2.gz NMKCSFXFYVGTDY-NTUHNPAUSA-N 0 0 225.376 3.770 20 0 BHADRN C/C=C(/CC)C(=O)N(CCCCC)C(C)C ZINC000788732040 585929740 /nfs/dbraw/zinc/92/97/40/585929740.db2.gz NMKCSFXFYVGTDY-QPEQYQDCSA-N 0 0 225.376 3.770 20 0 BHADRN C/C=C(\CC)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000788732380 585929817 /nfs/dbraw/zinc/92/98/17/585929817.db2.gz ZHUJNCXNLNQDNR-AFVKQKNKSA-N 0 0 249.398 3.770 20 0 BHADRN C/C=C(\CC)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000788732381 585929843 /nfs/dbraw/zinc/92/98/43/585929843.db2.gz ZHUJNCXNLNQDNR-BUPRNTDASA-N 0 0 249.398 3.770 20 0 BHADRN C/C=C(/CC)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000788732382 585929971 /nfs/dbraw/zinc/92/99/71/585929971.db2.gz ZHUJNCXNLNQDNR-SEWGCTSBSA-N 0 0 249.398 3.770 20 0 BHADRN C/C=C(/CC)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000788732383 585929847 /nfs/dbraw/zinc/92/98/47/585929847.db2.gz ZHUJNCXNLNQDNR-ZWHKBNGFSA-N 0 0 249.398 3.770 20 0 BHADRN C/C=C(\CC)C(=O)N(CCCC)CCCC ZINC000788742194 585929797 /nfs/dbraw/zinc/92/97/97/585929797.db2.gz MQPWQLDBLGAKMK-NTUHNPAUSA-N 0 0 225.376 3.772 20 0 BHADRN C/C=C(/CC)C(=O)N(CCCC)CCCC ZINC000788742196 585929857 /nfs/dbraw/zinc/92/98/57/585929857.db2.gz MQPWQLDBLGAKMK-QPEQYQDCSA-N 0 0 225.376 3.772 20 0 BHADRN C/C=C(/CC)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000788747758 585929735 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DCTYLNMNRQMXKO-CGGZTBSLSA-N 0 0 236.286 3.786 20 0 BHADRN C/C=C(\CC)C(=O)O[C@@H](C)c1ccccc1F ZINC000789229214 585937482 /nfs/dbraw/zinc/93/74/82/585937482.db2.gz DCTYLNMNRQMXKO-KRPLZJQNSA-N 0 0 236.286 3.786 20 0 BHADRN C/C=C(/CC)C(=O)O[C@@H](C)c1ccccc1F ZINC000789229215 585937473 /nfs/dbraw/zinc/93/74/73/585937473.db2.gz DCTYLNMNRQMXKO-ZQJWYQMXSA-N 0 0 236.286 3.786 20 0 BHADRN C/C=C(\CC)C(=O)OCc1cccc(C(C)C)n1 ZINC000789230775 585937539 /nfs/dbraw/zinc/93/75/39/585937539.db2.gz ZQQGNJUEBFCVEW-LFYBBSHMSA-N 0 0 247.338 3.605 20 0 BHADRN C/C=C(/CC)C(=O)OCc1cccc(C(C)C)n1 ZINC000789230778 585937519 /nfs/dbraw/zinc/93/75/19/585937519.db2.gz ZQQGNJUEBFCVEW-XGICHPGQSA-N 0 0 247.338 3.605 20 0 BHADRN C/C=C(/CC)C(=O)O[C@H](C)c1cccc(F)c1 ZINC000789236837 585937812 /nfs/dbraw/zinc/93/78/12/585937812.db2.gz RVUDLLOSXLLXMK-BJIOATRMSA-N 0 0 236.286 3.786 20 0 BHADRN C/C=C(\CC)C(=O)O[C@H](C)c1cccc(F)c1 ZINC000789236840 585937961 /nfs/dbraw/zinc/93/79/61/585937961.db2.gz RVUDLLOSXLLXMK-CGGZTBSLSA-N 0 0 236.286 3.786 20 0 BHADRN C/C=C(\CC)C(=O)O[C@@H](C)c1cccc(F)c1 ZINC000789236842 585937987 /nfs/dbraw/zinc/93/79/87/585937987.db2.gz RVUDLLOSXLLXMK-KRPLZJQNSA-N 0 0 236.286 3.786 20 0 BHADRN C/C=C(/CC)C(=O)O[C@@H](C)c1cccc(F)c1 ZINC000789236843 585937865 /nfs/dbraw/zinc/93/78/65/585937865.db2.gz RVUDLLOSXLLXMK-ZQJWYQMXSA-N 0 0 236.286 3.786 20 0 BHADRN C/C=C(\CC)C(=O)O[C@H](C)c1ccccc1 ZINC000789238626 585937893 /nfs/dbraw/zinc/93/78/93/585937893.db2.gz QGBWJHAQCQWDHD-DWGGBAKOSA-N 0 0 218.296 3.647 20 0 BHADRN C/C=C(/CC)C(=O)O[C@H](C)c1ccccc1 ZINC000789238630 585937850 /nfs/dbraw/zinc/93/78/50/585937850.db2.gz QGBWJHAQCQWDHD-GFLSPSCZSA-N 0 0 218.296 3.647 20 0 BHADRN C/C=C(/CC)C(=O)O[C@@H](C)c1ccccc1 ZINC000789238633 585937940 /nfs/dbraw/zinc/93/79/40/585937940.db2.gz QGBWJHAQCQWDHD-JXMFCEOTSA-N 0 0 218.296 3.647 20 0 BHADRN C/C=C(\CC)C(=O)O[C@@H](C)c1ccccc1 ZINC000789238640 585937811 /nfs/dbraw/zinc/93/78/11/585937811.db2.gz QGBWJHAQCQWDHD-ZFSPTPKQSA-N 0 0 218.296 3.647 20 0 BHADRN C[C@@H](O)CCCN(C)c1ccc(C(C)(C)C)cc1 ZINC000789309369 585939445 /nfs/dbraw/zinc/93/94/45/585939445.db2.gz ISSGUUBJIYJVGD-CYBMUJFWSA-N 0 0 249.398 3.581 20 0 BHADRN C[C@H](O)CCCN(C)c1ccc(C(C)(C)C)cc1 ZINC000789309384 585939588 /nfs/dbraw/zinc/93/95/88/585939588.db2.gz ISSGUUBJIYJVGD-ZDUSSCGKSA-N 0 0 249.398 3.581 20 0 BHADRN CCC1(CC)CCC(NC(=O)C=C(C)C)CC1 ZINC000789314035 585939458 /nfs/dbraw/zinc/93/94/58/585939458.db2.gz NYHJYTQWNRNMHK-UHFFFAOYSA-N 0 0 237.387 3.818 20 0 BHADRN C/C=C(\CC)C(=O)Oc1ccccc1CC ZINC000789340708 585940578 /nfs/dbraw/zinc/94/05/78/585940578.db2.gz DDGFEWOFXUZLPC-NYYWCZLTSA-N 0 0 218.296 3.511 20 0 BHADRN C/C=C(/CC)C(=O)Oc1ccccc1CC ZINC000789340721 585940550 /nfs/dbraw/zinc/94/05/50/585940550.db2.gz DDGFEWOFXUZLPC-WCIBSUBMSA-N 0 0 218.296 3.511 20 0 BHADRN C/C=C(/CC)C(=O)Oc1ccccc1Cl ZINC000789340765 585940579 /nfs/dbraw/zinc/94/05/79/585940579.db2.gz DZFJKFFHLRVIJD-OQFOIZHKSA-N 0 0 224.687 3.602 20 0 BHADRN C/C=C(\CC)C(=O)Oc1ccccc1Cl ZINC000789340773 585940655 /nfs/dbraw/zinc/94/06/55/585940655.db2.gz DZFJKFFHLRVIJD-YCRREMRBSA-N 0 0 224.687 3.602 20 0 BHADRN C/C=C(\CC)C(=O)Oc1cccc(CC)c1 ZINC000789341406 585940594 /nfs/dbraw/zinc/94/05/94/585940594.db2.gz IQKGQGUDYWWASA-LFYBBSHMSA-N 0 0 218.296 3.511 20 0 BHADRN C/C=C(/CC)C(=O)Oc1cccc(CC)c1 ZINC000789341408 585940482 /nfs/dbraw/zinc/94/04/82/585940482.db2.gz IQKGQGUDYWWASA-XGICHPGQSA-N 0 0 218.296 3.511 20 0 BHADRN C/C=C(/CC)C(=O)Oc1cccc(Cl)c1 ZINC000789341826 585940511 /nfs/dbraw/zinc/94/05/11/585940511.db2.gz KQWHZDPYBSNHKY-OQFOIZHKSA-N 0 0 224.687 3.602 20 0 BHADRN C/C=C(\CC)C(=O)Oc1cccc(Cl)c1 ZINC000789341829 585940653 /nfs/dbraw/zinc/94/06/53/585940653.db2.gz KQWHZDPYBSNHKY-YCRREMRBSA-N 0 0 224.687 3.602 20 0 BHADRN C/C=C(\CC)C(=O)Oc1ccc(C)c(C)c1 ZINC000789342040 585940460 /nfs/dbraw/zinc/94/04/60/585940460.db2.gz LSEWUOCEGRPORJ-LFYBBSHMSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(/CC)C(=O)Oc1ccc(C)c(C)c1 ZINC000789342043 585940614 /nfs/dbraw/zinc/94/06/14/585940614.db2.gz LSEWUOCEGRPORJ-XGICHPGQSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(\CC)C(=O)Oc1ccc(CC)cc1 ZINC000789342289 585940665 /nfs/dbraw/zinc/94/06/65/585940665.db2.gz MYDQBDPAKGGYPS-LFYBBSHMSA-N 0 0 218.296 3.511 20 0 BHADRN C/C=C(/CC)C(=O)Oc1ccc(CC)cc1 ZINC000789342292 585940679 /nfs/dbraw/zinc/94/06/79/585940679.db2.gz MYDQBDPAKGGYPS-XGICHPGQSA-N 0 0 218.296 3.511 20 0 BHADRN C/C=C(\CC)C(=O)Oc1cc(C)cc(C)c1 ZINC000789343259 585940439 /nfs/dbraw/zinc/94/04/39/585940439.db2.gz SDMVUKCCACIUHO-LFYBBSHMSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(/CC)C(=O)Oc1cc(C)cc(C)c1 ZINC000789343262 585940566 /nfs/dbraw/zinc/94/05/66/585940566.db2.gz SDMVUKCCACIUHO-XGICHPGQSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(\CC)C(=O)Oc1cccc(C)c1C ZINC000789343849 585151705 /nfs/dbraw/zinc/15/17/05/585151705.db2.gz IPQFQJHYHCVSDK-LFYBBSHMSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(/CC)C(=O)Oc1cccc(C)c1C ZINC000789343851 585151711 /nfs/dbraw/zinc/15/17/11/585151711.db2.gz IPQFQJHYHCVSDK-XGICHPGQSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(\CC)C(=O)Oc1cc(C)ccc1C ZINC000789344377 585940831 /nfs/dbraw/zinc/94/08/31/585940831.db2.gz YEOBMZBMJRMPAD-LFYBBSHMSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(/CC)C(=O)Oc1cc(C)ccc1C ZINC000789344378 585940809 /nfs/dbraw/zinc/94/08/09/585940809.db2.gz YEOBMZBMJRMPAD-XGICHPGQSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(/CC)C(=O)Oc1ccc(Cl)cc1 ZINC000789344479 585940778 /nfs/dbraw/zinc/94/07/78/585940778.db2.gz ZSXOPXWZYSHDPR-OQFOIZHKSA-N 0 0 224.687 3.602 20 0 BHADRN C/C=C(\CC)C(=O)Oc1ccc(Cl)cc1 ZINC000789344480 585940849 /nfs/dbraw/zinc/94/08/49/585940849.db2.gz ZSXOPXWZYSHDPR-YCRREMRBSA-N 0 0 224.687 3.602 20 0 BHADRN C/C=C(\CC)C(=O)Oc1ccc(C)cc1C ZINC000789344803 585940693 /nfs/dbraw/zinc/94/06/93/585940693.db2.gz MAKMGKGHOQRQTG-LFYBBSHMSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(/CC)C(=O)Oc1ccc(C)cc1C ZINC000789344807 585940740 /nfs/dbraw/zinc/94/07/40/585940740.db2.gz MAKMGKGHOQRQTG-XGICHPGQSA-N 0 0 218.296 3.565 20 0 BHADRN CCCCCCC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000789349489 585941019 /nfs/dbraw/zinc/94/10/19/585941019.db2.gz ZNLIUGFALNNZBN-HZSPNIEDSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCCC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000789349490 585941003 /nfs/dbraw/zinc/94/10/03/585941003.db2.gz ZNLIUGFALNNZBN-MCIONIFRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCCC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000789349491 585940993 /nfs/dbraw/zinc/94/09/93/585940993.db2.gz ZNLIUGFALNNZBN-MGPQQGTHSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCCC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000789349492 585940976 /nfs/dbraw/zinc/94/09/76/585940976.db2.gz ZNLIUGFALNNZBN-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN C/C=C(\CC)C(=O)O[C@H](C)c1ccc(OC)cc1 ZINC000789358414 585941350 /nfs/dbraw/zinc/94/13/50/585941350.db2.gz RZSMLOWLKYAPIZ-UMQYOCJBSA-N 0 0 248.322 3.656 20 0 BHADRN C/C=C(/CC)C(=O)O[C@H](C)c1ccc(OC)cc1 ZINC000789358416 585941217 /nfs/dbraw/zinc/94/12/17/585941217.db2.gz RZSMLOWLKYAPIZ-XYHYMSPGSA-N 0 0 248.322 3.656 20 0 BHADRN C/C=C(\CC)C(=O)O[C@@H]1CCc2ccccc21 ZINC000789361836 585941502 /nfs/dbraw/zinc/94/15/02/585941502.db2.gz NZVMVXUQBOKYFW-ADLJWPQSSA-N 0 0 230.307 3.573 20 0 BHADRN C/C=C(\CC)C(=O)O[C@H]1CCc2ccccc21 ZINC000789361838 585941514 /nfs/dbraw/zinc/94/15/14/585941514.db2.gz NZVMVXUQBOKYFW-JIJVXSHRSA-N 0 0 230.307 3.573 20 0 BHADRN C/C=C(/CC)C(=O)O[C@@H]1CCc2ccccc21 ZINC000789361840 585941547 /nfs/dbraw/zinc/94/15/47/585941547.db2.gz NZVMVXUQBOKYFW-UVLVHESHSA-N 0 0 230.307 3.573 20 0 BHADRN C/C=C(/CC)C(=O)O[C@H]1CCc2ccccc21 ZINC000789361841 585941438 /nfs/dbraw/zinc/94/14/38/585941438.db2.gz NZVMVXUQBOKYFW-WKGNEAPRSA-N 0 0 230.307 3.573 20 0 BHADRN CCCCCC[C@@H](C)OC(=O)C1(SC)CC1 ZINC000789362200 585941427 /nfs/dbraw/zinc/94/14/27/585941427.db2.gz RHEJULWYSYPNCW-LLVKDONJSA-N 0 0 244.400 3.784 20 0 BHADRN CCCCCC[C@H](C)OC(=O)C1(SC)CC1 ZINC000789362201 585941534 /nfs/dbraw/zinc/94/15/34/585941534.db2.gz RHEJULWYSYPNCW-NSHDSACASA-N 0 0 244.400 3.784 20 0 BHADRN C/C=C(\CC)C(=O)Oc1cccc(OC(C)C)c1 ZINC000789369409 585941774 /nfs/dbraw/zinc/94/17/74/585941774.db2.gz SFONLYDWGACXID-LFYBBSHMSA-N 0 0 248.322 3.736 20 0 BHADRN C/C=C(/CC)C(=O)Oc1cccc(OC(C)C)c1 ZINC000789369410 585941660 /nfs/dbraw/zinc/94/16/60/585941660.db2.gz SFONLYDWGACXID-XGICHPGQSA-N 0 0 248.322 3.736 20 0 BHADRN C/C=C(/CC)C(=O)Oc1cc(Cl)ccc1F ZINC000789376553 585941650 /nfs/dbraw/zinc/94/16/50/585941650.db2.gz BDFKPPYSFVIGLH-BAQGIRSFSA-N 0 0 242.677 3.741 20 0 BHADRN C/C=C(\CC)C(=O)Oc1cc(Cl)ccc1F ZINC000789376554 585941710 /nfs/dbraw/zinc/94/17/10/585941710.db2.gz BDFKPPYSFVIGLH-FPYGCLRLSA-N 0 0 242.677 3.741 20 0 BHADRN C/C=C(\CC)C(=O)Oc1ccc(OC(C)C)cc1 ZINC000789377196 585941685 /nfs/dbraw/zinc/94/16/85/585941685.db2.gz KUZOQUUQBAIICE-LFYBBSHMSA-N 0 0 248.322 3.736 20 0 BHADRN C/C=C(/CC)C(=O)Oc1ccc(OC(C)C)cc1 ZINC000789377197 585941693 /nfs/dbraw/zinc/94/16/93/585941693.db2.gz KUZOQUUQBAIICE-XGICHPGQSA-N 0 0 248.322 3.736 20 0 BHADRN C/C=C(\CC)C(=O)O[C@@H](C)c1cccc(OC)c1 ZINC000789386699 585942057 /nfs/dbraw/zinc/94/20/57/585942057.db2.gz IAVNGJWNTREILF-FIJZOYEMSA-N 0 0 248.322 3.656 20 0 BHADRN C/C=C(/CC)C(=O)O[C@@H](C)c1cccc(OC)c1 ZINC000789386701 585941925 /nfs/dbraw/zinc/94/19/25/585941925.db2.gz IAVNGJWNTREILF-KQDRGBMMSA-N 0 0 248.322 3.656 20 0 BHADRN C/C=C(\CC)C(=O)O[C@H](C)c1cccc(OC)c1 ZINC000789386702 585941757 /nfs/dbraw/zinc/94/17/57/585941757.db2.gz IAVNGJWNTREILF-UMQYOCJBSA-N 0 0 248.322 3.656 20 0 BHADRN C/C=C(/CC)C(=O)O[C@H](C)c1cccc(OC)c1 ZINC000789386704 585941856 /nfs/dbraw/zinc/94/18/56/585941856.db2.gz IAVNGJWNTREILF-XYHYMSPGSA-N 0 0 248.322 3.656 20 0 BHADRN C/C=C(\CC)C(=O)O[C@H]1CCc2ccc(F)cc21 ZINC000789391144 585941870 /nfs/dbraw/zinc/94/18/70/585941870.db2.gz GDDFRMRNSWFPMC-JBJDWBBVSA-N 0 0 248.297 3.713 20 0 BHADRN C/C=C(\CC)C(=O)O[C@@H]1CCc2ccc(F)cc21 ZINC000789391146 585941871 /nfs/dbraw/zinc/94/18/71/585941871.db2.gz GDDFRMRNSWFPMC-LTVLPBHKSA-N 0 0 248.297 3.713 20 0 BHADRN C/C=C(/CC)C(=O)O[C@@H]1CCc2ccc(F)cc21 ZINC000789391147 585942016 /nfs/dbraw/zinc/94/20/16/585942016.db2.gz GDDFRMRNSWFPMC-RSXXGSNLSA-N 0 0 248.297 3.713 20 0 BHADRN C/C=C(/CC)C(=O)O[C@H]1CCc2ccc(F)cc21 ZINC000789391148 585941914 /nfs/dbraw/zinc/94/19/14/585941914.db2.gz GDDFRMRNSWFPMC-SRBYTBLJSA-N 0 0 248.297 3.713 20 0 BHADRN C/C=C(/CC)C(=O)Oc1ccc(CC)cc1OC ZINC000789406443 585942367 /nfs/dbraw/zinc/94/23/67/585942367.db2.gz WIWAKEKCSKIHOO-SDQBBNPISA-N 0 0 248.322 3.519 20 0 BHADRN C/C=C(\CC)C(=O)Oc1ccc(CC)cc1OC ZINC000789406444 585942459 /nfs/dbraw/zinc/94/24/59/585942459.db2.gz WIWAKEKCSKIHOO-WUXMJOGZSA-N 0 0 248.322 3.519 20 0 BHADRN CC1(C)CCCC[C@@H]1C(=O)OCc1ccoc1 ZINC000789408792 585942301 /nfs/dbraw/zinc/94/23/01/585942301.db2.gz ZXYLVQLVBPMAJH-GFCCVEGCSA-N 0 0 236.311 3.539 20 0 BHADRN CC1(C)CCCC[C@H]1C(=O)OCc1ccoc1 ZINC000789408795 585942426 /nfs/dbraw/zinc/94/24/26/585942426.db2.gz ZXYLVQLVBPMAJH-LBPRGKRZSA-N 0 0 236.311 3.539 20 0 BHADRN C/C=C(\CC)C(=O)O[C@@H](C)c1ccc(OC)cc1 ZINC000789409115 585942335 /nfs/dbraw/zinc/94/23/35/585942335.db2.gz RZSMLOWLKYAPIZ-FIJZOYEMSA-N 0 0 248.322 3.656 20 0 BHADRN C/C=C(/CC)C(=O)O[C@@H](C)c1ccc(OC)cc1 ZINC000789409118 585942395 /nfs/dbraw/zinc/94/23/95/585942395.db2.gz RZSMLOWLKYAPIZ-KQDRGBMMSA-N 0 0 248.322 3.656 20 0 BHADRN CCc1cncc(C(=O)OC2CCCCCC2)c1 ZINC000789410626 585942378 /nfs/dbraw/zinc/94/23/78/585942378.db2.gz ZMYWPBUXWCKVON-UHFFFAOYSA-N 0 0 247.338 3.524 20 0 BHADRN C/C=C(\CC)C(=O)OCCCSC(C)(C)C ZINC000789410717 585942338 /nfs/dbraw/zinc/94/23/38/585942338.db2.gz QDCQGXBEJMECLV-IZZDOVSWSA-N 0 0 244.400 3.808 20 0 BHADRN C/C=C(/CC)C(=O)OCCCSC(C)(C)C ZINC000789410719 585942407 /nfs/dbraw/zinc/94/24/07/585942407.db2.gz QDCQGXBEJMECLV-WDZFZDKYSA-N 0 0 244.400 3.808 20 0 BHADRN C/C=C(/CC)C(=O)Oc1cccc(Cl)c1F ZINC000789426818 585942600 /nfs/dbraw/zinc/94/26/00/585942600.db2.gz BFMYWSUYTBRARO-BAQGIRSFSA-N 0 0 242.677 3.741 20 0 BHADRN C/C=C(\CC)C(=O)Oc1cccc(Cl)c1F ZINC000789426820 585942553 /nfs/dbraw/zinc/94/25/53/585942553.db2.gz BFMYWSUYTBRARO-FPYGCLRLSA-N 0 0 242.677 3.741 20 0 BHADRN C/C=C(/CC)C(=O)OC1(c2ccccc2)CC1 ZINC000789427074 585942653 /nfs/dbraw/zinc/94/26/53/585942653.db2.gz CFDMWSYKDQKFDV-BASWHVEKSA-N 0 0 230.307 3.575 20 0 BHADRN C/C=C(\CC)C(=O)OC1(c2ccccc2)CC1 ZINC000789427075 585942580 /nfs/dbraw/zinc/94/25/80/585942580.db2.gz CFDMWSYKDQKFDV-KGVSQERTSA-N 0 0 230.307 3.575 20 0 BHADRN CC1(C)CCCC[C@@H]1C(=O)OC1(C2CC2)CC1 ZINC000789441502 585942930 /nfs/dbraw/zinc/94/29/30/585942930.db2.gz SGHDJMAXPVQZHJ-GFCCVEGCSA-N 0 0 236.355 3.689 20 0 BHADRN CC1(C)CCCC[C@H]1C(=O)OC1(C2CC2)CC1 ZINC000789441503 585942967 /nfs/dbraw/zinc/94/29/67/585942967.db2.gz SGHDJMAXPVQZHJ-LBPRGKRZSA-N 0 0 236.355 3.689 20 0 BHADRN CCCC[C@@H](C)OC(=O)c1nc(Cl)cs1 ZINC000789447073 712420774 /nfs/dbraw/zinc/42/07/74/712420774.db2.gz FFEGGBHMQGBOTJ-SSDOTTSWSA-N 0 0 247.747 3.532 20 0 BHADRN CCCC[C@H](C)OC(=O)c1nc(Cl)cs1 ZINC000789447074 712420776 /nfs/dbraw/zinc/42/07/76/712420776.db2.gz FFEGGBHMQGBOTJ-ZETCQYMHSA-N 0 0 247.747 3.532 20 0 BHADRN CCC[C@@H](CC)OC(=O)c1nc(Cl)cs1 ZINC000789448816 712420801 /nfs/dbraw/zinc/42/08/01/712420801.db2.gz UGBXWNUJBGJBPO-SSDOTTSWSA-N 0 0 247.747 3.532 20 0 BHADRN CCC[C@H](CC)OC(=O)c1nc(Cl)cs1 ZINC000789448818 712420803 /nfs/dbraw/zinc/42/08/03/712420803.db2.gz UGBXWNUJBGJBPO-ZETCQYMHSA-N 0 0 247.747 3.532 20 0 BHADRN CCN(CCc1cccs1)c1cccc(O)c1 ZINC000789460143 585943091 /nfs/dbraw/zinc/94/30/91/585943091.db2.gz YTERTKANGAKOQD-UHFFFAOYSA-N 0 0 247.363 3.523 20 0 BHADRN CCN(C/C(Cl)=C/Cl)c1cccc(O)c1 ZINC000789465877 585943217 /nfs/dbraw/zinc/94/32/17/585943217.db2.gz ORCIZMPZLNKHSJ-CLFYSBASSA-N 0 0 246.137 3.538 20 0 BHADRN CCN(C/C(Cl)=C\Cl)c1cccc(O)c1 ZINC000789465880 585943156 /nfs/dbraw/zinc/94/31/56/585943156.db2.gz ORCIZMPZLNKHSJ-VQHVLOKHSA-N 0 0 246.137 3.538 20 0 BHADRN CCCCC(=O)O[C@@H]1CCOc2c(C)cccc21 ZINC000789488376 585943440 /nfs/dbraw/zinc/94/34/40/585943440.db2.gz WZIKIBRPMPGTGZ-CYBMUJFWSA-N 0 0 248.322 3.552 20 0 BHADRN CCc1ccc(/C=C\COC(=O)C2(C)CC2)cc1 ZINC000789498678 585943433 /nfs/dbraw/zinc/94/34/33/585943433.db2.gz DUTDVKRFWCHJHO-PLNGDYQASA-N 0 0 244.334 3.606 20 0 BHADRN CCc1ccc(/C=C/COC(=O)C2(C)CC2)cc1 ZINC000789498679 585943508 /nfs/dbraw/zinc/94/35/08/585943508.db2.gz DUTDVKRFWCHJHO-SNAWJCMRSA-N 0 0 244.334 3.606 20 0 BHADRN CCCCC(=O)O[C@H]1CCOc2c(C)cccc21 ZINC000789499163 585943560 /nfs/dbraw/zinc/94/35/60/585943560.db2.gz WZIKIBRPMPGTGZ-ZDUSSCGKSA-N 0 0 248.322 3.552 20 0 BHADRN CCc1ccc(/C=C\COC(=O)C2CCC2)cc1 ZINC000789509433 585943487 /nfs/dbraw/zinc/94/34/87/585943487.db2.gz ZZXCOTWZCSHATH-PLNGDYQASA-N 0 0 244.334 3.606 20 0 BHADRN CCc1ccc(/C=C/COC(=O)C2CCC2)cc1 ZINC000789509434 585943591 /nfs/dbraw/zinc/94/35/91/585943591.db2.gz ZZXCOTWZCSHATH-SNAWJCMRSA-N 0 0 244.334 3.606 20 0 BHADRN CC(C)=CC(=O)Oc1ccc(OCC(C)C)cc1 ZINC000789527963 585943697 /nfs/dbraw/zinc/94/36/97/585943697.db2.gz MYWNLKZIPUHNGU-UHFFFAOYSA-N 0 0 248.322 3.593 20 0 BHADRN C/C=C(\C)C(=O)Oc1ccc(OCC(C)C)cc1 ZINC000789528119 585943813 /nfs/dbraw/zinc/94/38/13/585943813.db2.gz OWCNHUSCGFRECQ-LFYBBSHMSA-N 0 0 248.322 3.593 20 0 BHADRN C/C=C(/C)C(=O)Oc1ccc(OCC(C)C)cc1 ZINC000789528121 585943836 /nfs/dbraw/zinc/94/38/36/585943836.db2.gz OWCNHUSCGFRECQ-XGICHPGQSA-N 0 0 248.322 3.593 20 0 BHADRN CC(C)c1ccccc1OCc1ccc(F)cn1 ZINC000789566860 585944162 /nfs/dbraw/zinc/94/41/62/585944162.db2.gz OXAYZMZUNPJSGS-UHFFFAOYSA-N 0 0 245.297 3.923 20 0 BHADRN CCN(Cc1ccoc1)c1ccccc1C ZINC000789571952 585943974 /nfs/dbraw/zinc/94/39/74/585943974.db2.gz PSESSPXDGQLUBU-UHFFFAOYSA-N 0 0 215.296 3.615 20 0 BHADRN CCCCC[C@@H](CC)C(=O)OCC1(F)CC1 ZINC000789581672 585944362 /nfs/dbraw/zinc/94/43/62/585944362.db2.gz JBLKWMZNMJNUFB-LLVKDONJSA-N 0 0 230.323 3.638 20 0 BHADRN CCCCC[C@H](CC)C(=O)OCC1(F)CC1 ZINC000789581673 585944298 /nfs/dbraw/zinc/94/42/98/585944298.db2.gz JBLKWMZNMJNUFB-NSHDSACASA-N 0 0 230.323 3.638 20 0 BHADRN CCCCCC[C@@H](C)C(=O)OCC1(F)CC1 ZINC000789582425 585944469 /nfs/dbraw/zinc/94/44/69/585944469.db2.gz RZGPQIDUNSQVKC-LLVKDONJSA-N 0 0 230.323 3.638 20 0 BHADRN CCCCCC[C@H](C)C(=O)OCC1(F)CC1 ZINC000789582428 585944602 /nfs/dbraw/zinc/94/46/02/585944602.db2.gz RZGPQIDUNSQVKC-NSHDSACASA-N 0 0 230.323 3.638 20 0 BHADRN O=C(CC/C=C/c1ccccc1)OCC1(F)CC1 ZINC000789584438 585944621 /nfs/dbraw/zinc/94/46/21/585944621.db2.gz CDRCJKJCGFDGEN-XBXARRHUSA-N 0 0 248.297 3.525 20 0 BHADRN O=C(CC/C=C\c1ccccc1)OCC1(F)CC1 ZINC000789584439 585944618 /nfs/dbraw/zinc/94/46/18/585944618.db2.gz CDRCJKJCGFDGEN-YWEYNIOJSA-N 0 0 248.297 3.525 20 0 BHADRN CC(C)c1ccsc1C(=O)OCC1(F)CC1 ZINC000789589103 585944845 /nfs/dbraw/zinc/94/48/45/585944845.db2.gz CWAHSMCKIQSLPL-UHFFFAOYSA-N 0 0 242.315 3.530 20 0 BHADRN Cc1ccc(OCCCCCF)c(Cl)n1 ZINC000789593401 585945281 /nfs/dbraw/zinc/94/52/81/585945281.db2.gz VTBNYHNLDZWJEM-UHFFFAOYSA-N 0 0 231.698 3.562 20 0 BHADRN Cc1cc(Cl)ncc1OCCCCCF ZINC000789594089 585945034 /nfs/dbraw/zinc/94/50/34/585945034.db2.gz ADAARKGHAXCBQI-UHFFFAOYSA-N 0 0 231.698 3.562 20 0 BHADRN CCCCCC(C)(C)C(=O)OCC1(F)CC1 ZINC000789594445 585945350 /nfs/dbraw/zinc/94/53/50/585945350.db2.gz AVIFQTRIWJSISJ-UHFFFAOYSA-N 0 0 230.323 3.638 20 0 BHADRN FCCCCCn1nc(Cl)c2ccccc21 ZINC000789595687 585945196 /nfs/dbraw/zinc/94/51/96/585945196.db2.gz LSPGNRSYMILGOU-UHFFFAOYSA-N 0 0 240.709 3.830 20 0 BHADRN CC[C@H](CC1CCCC1)C(=O)OCC1(F)CC1 ZINC000789595699 585945293 /nfs/dbraw/zinc/94/52/93/585945293.db2.gz GVPZFLDMQCKVPW-GFCCVEGCSA-N 0 0 242.334 3.638 20 0 BHADRN CC[C@@H](CC1CCCC1)C(=O)OCC1(F)CC1 ZINC000789595702 585945159 /nfs/dbraw/zinc/94/51/59/585945159.db2.gz GVPZFLDMQCKVPW-LBPRGKRZSA-N 0 0 242.334 3.638 20 0 BHADRN O=C(OCC1(F)CC1)c1ccc(C2CCC2)cc1 ZINC000789597148 585171584 /nfs/dbraw/zinc/17/15/84/585171584.db2.gz QQNXMYGFNFFZFB-UHFFFAOYSA-N 0 0 248.297 3.613 20 0 BHADRN NC(=NOCCCCCF)C1CCCCCC1 ZINC000789597730 585945502 /nfs/dbraw/zinc/94/55/02/585945502.db2.gz UOTMPDOSSQNPPS-UHFFFAOYSA-N 0 0 244.354 3.595 20 0 BHADRN CC(C)CC1(C(=O)OCC2(F)CC2)CCCC1 ZINC000789599348 585945423 /nfs/dbraw/zinc/94/54/23/585945423.db2.gz QODRWLGQCFJWKL-UHFFFAOYSA-N 0 0 242.334 3.638 20 0 BHADRN C[C@H](COC(=O)C(C)(C)c1ccccc1)C1CC1 ZINC000789603189 585945989 /nfs/dbraw/zinc/94/59/89/585945989.db2.gz WSYKBIDBMFRHEB-GFCCVEGCSA-N 0 0 246.350 3.554 20 0 BHADRN C[C@@H](COC(=O)C(C)(C)c1ccccc1)C1CC1 ZINC000789603191 585945855 /nfs/dbraw/zinc/94/58/55/585945855.db2.gz WSYKBIDBMFRHEB-LBPRGKRZSA-N 0 0 246.350 3.554 20 0 BHADRN C/C=C(\CC)C(=O)Oc1c(C)cccc1C ZINC000789605395 585945982 /nfs/dbraw/zinc/94/59/82/585945982.db2.gz ATXXZOLLSACKAV-LFYBBSHMSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(/CC)C(=O)Oc1c(C)cccc1C ZINC000789605400 585945949 /nfs/dbraw/zinc/94/59/49/585945949.db2.gz ATXXZOLLSACKAV-XGICHPGQSA-N 0 0 218.296 3.565 20 0 BHADRN C/C=C(/CC)C(=O)Oc1ccc(Cl)cc1F ZINC000789606236 585172898 /nfs/dbraw/zinc/17/28/98/585172898.db2.gz AIHHBWIKMQDZAL-BAQGIRSFSA-N 0 0 242.677 3.741 20 0 BHADRN C/C=C(\CC)C(=O)Oc1ccc(Cl)cc1F ZINC000789606249 585172991 /nfs/dbraw/zinc/17/29/91/585172991.db2.gz AIHHBWIKMQDZAL-FPYGCLRLSA-N 0 0 242.677 3.741 20 0 BHADRN C[C@H](COC(=O)c1ccc(Cl)s1)C1CC1 ZINC000789607242 585946144 /nfs/dbraw/zinc/94/61/44/585946144.db2.gz HRUBRZMIXQBUCU-SSDOTTSWSA-N 0 0 244.743 3.604 20 0 BHADRN C[C@@H](COC(=O)c1ccc(Cl)s1)C1CC1 ZINC000789607286 585946057 /nfs/dbraw/zinc/94/60/57/585946057.db2.gz HRUBRZMIXQBUCU-ZETCQYMHSA-N 0 0 244.743 3.604 20 0 BHADRN C[C@H](COC(=O)c1ccccc1Cl)C1CC1 ZINC000789609309 585946340 /nfs/dbraw/zinc/94/63/40/585946340.db2.gz NCYVUSIZLSZEHZ-SECBINFHSA-N 0 0 238.714 3.543 20 0 BHADRN C[C@@H](COC(=O)c1ccccc1Cl)C1CC1 ZINC000789609321 585946451 /nfs/dbraw/zinc/94/64/51/585946451.db2.gz NCYVUSIZLSZEHZ-VIFPVBQESA-N 0 0 238.714 3.543 20 0 BHADRN C/C=C(\CC)C(=O)N(CC)c1ccc(F)cc1 ZINC000789610979 585946688 /nfs/dbraw/zinc/94/66/88/585946688.db2.gz LLFZKOLTDJPQEK-NYYWCZLTSA-N 0 0 235.302 3.535 20 0 BHADRN C/C=C(/CC)C(=O)N(CC)c1ccc(F)cc1 ZINC000789610984 585946692 /nfs/dbraw/zinc/94/66/92/585946692.db2.gz LLFZKOLTDJPQEK-WCIBSUBMSA-N 0 0 235.302 3.535 20 0 BHADRN C/C=C(/CC)C(=O)Nc1ccc2ccccc2n1 ZINC000789611046 585946694 /nfs/dbraw/zinc/94/66/94/585946694.db2.gz OVOKMBVRNVPODU-JYOAFUTRSA-N 0 0 240.306 3.530 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccc2ccccc2n1 ZINC000789611047 585946696 /nfs/dbraw/zinc/94/66/96/585946696.db2.gz OVOKMBVRNVPODU-QDEBKDIKSA-N 0 0 240.306 3.530 20 0 BHADRN C[C@H](COC(=O)c1csc(Cl)c1)C1CC1 ZINC000789612621 585946568 /nfs/dbraw/zinc/94/65/68/585946568.db2.gz UHDXPAXKPMUILS-SSDOTTSWSA-N 0 0 244.743 3.604 20 0 BHADRN C[C@@H](COC(=O)c1csc(Cl)c1)C1CC1 ZINC000789612622 585946516 /nfs/dbraw/zinc/94/65/16/585946516.db2.gz UHDXPAXKPMUILS-ZETCQYMHSA-N 0 0 244.743 3.604 20 0 BHADRN C/C=C(\CC)C(=O)N(C)C1CCC(CC)CC1 ZINC000789615734 585946947 /nfs/dbraw/zinc/94/69/47/585946947.db2.gz GBZINZMFAKZJPK-AWNIVKPZSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(/CC)C(=O)N(C)C1CCC(CC)CC1 ZINC000789615735 585946864 /nfs/dbraw/zinc/94/68/64/585946864.db2.gz GBZINZMFAKZJPK-MLPAPPSSSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C(/CC)C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000789616062 585946890 /nfs/dbraw/zinc/94/68/90/585946890.db2.gz KVKDLPDCDVFFBD-PQMHYQBVSA-N 0 0 249.398 3.912 20 0 BHADRN C/C=C(\CC)C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000789616066 585946850 /nfs/dbraw/zinc/94/68/50/585946850.db2.gz KVKDLPDCDVFFBD-YIXHJXPBSA-N 0 0 249.398 3.912 20 0 BHADRN C[C@H](COC(=O)c1cc(Cl)cs1)C1CC1 ZINC000789616597 585946863 /nfs/dbraw/zinc/94/68/63/585946863.db2.gz NELSJLJMGGPVGT-SSDOTTSWSA-N 0 0 244.743 3.604 20 0 BHADRN C[C@@H](COC(=O)c1cc(Cl)cs1)C1CC1 ZINC000789616598 585946806 /nfs/dbraw/zinc/94/68/06/585946806.db2.gz NELSJLJMGGPVGT-ZETCQYMHSA-N 0 0 244.743 3.604 20 0 BHADRN C/C=C(/CC)C(=O)N(CC)c1ccccc1C ZINC000789616978 585946859 /nfs/dbraw/zinc/94/68/59/585946859.db2.gz SRRCDKVYHPSIPM-ACAGNQJTSA-N 0 0 231.339 3.704 20 0 BHADRN C/C=C(\CC)C(=O)N(CC)c1ccccc1C ZINC000789616980 585946897 /nfs/dbraw/zinc/94/68/97/585946897.db2.gz SRRCDKVYHPSIPM-WLRTZDKTSA-N 0 0 231.339 3.704 20 0 BHADRN C/C=C(\CC)C(=O)N(CCCC)[C@H](C)CC ZINC000789618594 585947145 /nfs/dbraw/zinc/94/71/45/585947145.db2.gz FGNZFSLTNZYVPE-FMNNIJNLSA-N 0 0 225.376 3.770 20 0 BHADRN C/C=C(/CC)C(=O)N(CCCC)[C@@H](C)CC ZINC000789618595 585947059 /nfs/dbraw/zinc/94/70/59/585947059.db2.gz FGNZFSLTNZYVPE-OEMOTLHWSA-N 0 0 225.376 3.770 20 0 BHADRN C/C=C(\CC)C(=O)N(CCCC)[C@@H](C)CC ZINC000789618596 585947014 /nfs/dbraw/zinc/94/70/14/585947014.db2.gz FGNZFSLTNZYVPE-OXBCTQFSSA-N 0 0 225.376 3.770 20 0 BHADRN C/C=C(/CC)C(=O)N(CCCC)[C@H](C)CC ZINC000789618597 585947030 /nfs/dbraw/zinc/94/70/30/585947030.db2.gz FGNZFSLTNZYVPE-YFBAIUBQSA-N 0 0 225.376 3.770 20 0 BHADRN C/C=C(/CC)C(=O)N(C1CC1)C1CCCCC1 ZINC000789619406 585946980 /nfs/dbraw/zinc/94/69/80/585946980.db2.gz VIEIMSIFZQNDBA-BASWHVEKSA-N 0 0 235.371 3.666 20 0 BHADRN C/C=C(\CC)C(=O)N(C1CC1)C1CCCCC1 ZINC000789619407 585946978 /nfs/dbraw/zinc/94/69/78/585946978.db2.gz VIEIMSIFZQNDBA-KGVSQERTSA-N 0 0 235.371 3.666 20 0 BHADRN C/C=C(\CC)C(=O)N(CC)c1cccc(F)c1 ZINC000789619418 585947112 /nfs/dbraw/zinc/94/71/12/585947112.db2.gz VZXOVYAIJWVMIR-NYYWCZLTSA-N 0 0 235.302 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BHADRN CC(C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C)=C1CCCC1 ZINC000789859850 585952116 /nfs/dbraw/zinc/95/21/16/585952116.db2.gz KAVAYEXAUNJJLG-DYEKYZERSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C(=O)N1C[C@H](C)C[C@H](C)[C@H]1C)=C1CCCC1 ZINC000789859851 585952113 /nfs/dbraw/zinc/95/21/13/585952113.db2.gz KAVAYEXAUNJJLG-MBNYWOFBSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C)=C1CCCC1 ZINC000789859852 585952102 /nfs/dbraw/zinc/95/21/02/585952102.db2.gz KAVAYEXAUNJJLG-YRGRVCCFSA-N 0 0 249.398 3.770 20 0 BHADRN CC(C)(C)CCSc1nccn1C1CC1 ZINC000789908546 585952875 /nfs/dbraw/zinc/95/28/75/585952875.db2.gz QPGJTIQSOXRPES-UHFFFAOYSA-N 0 0 224.373 3.746 20 0 BHADRN COC(C)(C)CCSc1nc(C)c(C)s1 ZINC000789921516 585953032 /nfs/dbraw/zinc/95/30/32/585953032.db2.gz KEMRMQPLVOJRHN-UHFFFAOYSA-N 0 0 245.413 3.667 20 0 BHADRN Cc1nc(SCCCCCF)sc1C ZINC000789923182 585953058 /nfs/dbraw/zinc/95/30/58/585953058.db2.gz WHAGUTLOZUUKPK-UHFFFAOYSA-N 0 0 233.377 3.992 20 0 BHADRN CC(C)Oc1ccc(C(=O)OC2CCCC2)cc1 ZINC000789931433 585954326 /nfs/dbraw/zinc/95/43/26/585954326.db2.gz YBMDFONVPGAUNH-UHFFFAOYSA-N 0 0 248.322 3.573 20 0 BHADRN Cc1cccc(CCC(=O)Oc2ccccc2)c1 ZINC000789934152 585954021 /nfs/dbraw/zinc/95/40/21/585954021.db2.gz BTWHDURTEXPKNL-UHFFFAOYSA-N 0 0 240.302 3.533 20 0 BHADRN CCCCCCNC(=O)/C=C\c1cccc(F)c1 ZINC000789942665 585954418 /nfs/dbraw/zinc/95/44/18/585954418.db2.gz QKICKDGMNNKQHF-KTKRTIGZSA-N 0 0 249.329 3.535 20 0 BHADRN CC(C)=CCn1nc(Cl)c2ccccc21 ZINC000789968725 585954969 /nfs/dbraw/zinc/95/49/69/585954969.db2.gz ZYZOLLFHNFEWSN-UHFFFAOYSA-N 0 0 220.703 3.656 20 0 BHADRN COC(C)(C)CCSC(C)(C)C(C)C ZINC000789982375 585955425 /nfs/dbraw/zinc/95/54/25/585955425.db2.gz AJSRMHNTXKVFPF-UHFFFAOYSA-N 0 0 218.406 3.969 20 0 BHADRN CCC(CC)(CC)SCCOCC(F)F ZINC000789984457 585955557 /nfs/dbraw/zinc/95/55/57/585955557.db2.gz REIBJDAULSWYSM-UHFFFAOYSA-N 0 0 240.359 3.970 20 0 BHADRN CCC(CC)(CC)SCCn1cc(C)cn1 ZINC000789985027 585955506 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QODCCEBYIBGMAD-MFOWVQHXSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CCCC[C@H]1C(=O)NC12CCC(CC1)C2 ZINC000790020328 585956176 /nfs/dbraw/zinc/95/61/76/585956176.db2.gz QODCCEBYIBGMAD-UYJPIKCFSA-N 0 0 249.398 3.652 20 0 BHADRN CCCCc1ccc(OC(=O)OCC2CC2)cc1 ZINC000790044017 585956573 /nfs/dbraw/zinc/95/65/73/585956573.db2.gz HMOCPUOWJRQGSN-UHFFFAOYSA-N 0 0 248.322 3.955 20 0 BHADRN CC(C)c1ccoc1C(=O)OC1CCCC1 ZINC000790085426 585957773 /nfs/dbraw/zinc/95/77/73/585957773.db2.gz PEZSMSQAAYSCPP-UHFFFAOYSA-N 0 0 222.284 3.502 20 0 BHADRN CC(C)c1ccoc1C(=O)Oc1ccccc1F ZINC000790086089 585957818 /nfs/dbraw/zinc/95/78/18/585957818.db2.gz YOSNUULAFJPHRZ-UHFFFAOYSA-N 0 0 248.253 3.761 20 0 BHADRN C[C@@H](OC(=O)C1CCCC1)c1ccc(F)cc1 ZINC000790093071 585958115 /nfs/dbraw/zinc/95/81/15/585958115.db2.gz ZTJLCSQIPBJIJG-SNVBAGLBSA-N 0 0 236.286 3.620 20 0 BHADRN CC(C)Cc1ccccc1C(=O)N1CCCCC1 ZINC000790099408 585958127 /nfs/dbraw/zinc/95/81/27/585958127.db2.gz OZVOVYUPQLCTIG-UHFFFAOYSA-N 0 0 245.366 3.511 20 0 BHADRN CCCCC[C@@H](C)NC(=O)NCCC=C(C)C ZINC000790103651 585958314 /nfs/dbraw/zinc/95/83/14/585958314.db2.gz QJMGDRJZRLJILC-CYBMUJFWSA-N 0 0 240.391 3.611 20 0 BHADRN CCCCC[C@H](C)NC(=O)NCCC=C(C)C ZINC000790103653 585958184 /nfs/dbraw/zinc/95/81/84/585958184.db2.gz QJMGDRJZRLJILC-ZDUSSCGKSA-N 0 0 240.391 3.611 20 0 BHADRN CC(C)CCNC(=O)c1ccccc1CC(C)C ZINC000790103757 585958285 /nfs/dbraw/zinc/95/82/85/585958285.db2.gz VWGJGHDIRLVSRL-UHFFFAOYSA-N 0 0 247.382 3.661 20 0 BHADRN CC[C@@H](C)CC(=O)NC1CCCCCCC1 ZINC000790106386 585958230 /nfs/dbraw/zinc/95/82/30/585958230.db2.gz GGNOTEIHENWQFZ-GFCCVEGCSA-N 0 0 225.376 3.652 20 0 BHADRN CC[C@H](C)CC(=O)NC1CCCCCCC1 ZINC000790106387 585958312 /nfs/dbraw/zinc/95/83/12/585958312.db2.gz GGNOTEIHENWQFZ-LBPRGKRZSA-N 0 0 225.376 3.652 20 0 BHADRN CCC(CC)NC(=O)c1ccccc1CC(C)C ZINC000790106492 585958241 /nfs/dbraw/zinc/95/82/41/585958241.db2.gz LAQMDLKUANJIKF-UHFFFAOYSA-N 0 0 247.382 3.804 20 0 BHADRN CC(C)Cc1ccccc1C(=O)NC1CCCC1 ZINC000790106585 585958183 /nfs/dbraw/zinc/95/81/83/585958183.db2.gz PUEVDOBWWUUDMY-UHFFFAOYSA-N 0 0 245.366 3.558 20 0 BHADRN CC[C@@H](C)CC(=O)N1Cc2ccccc2[C@H](C)C1 ZINC000790131703 585958466 /nfs/dbraw/zinc/95/84/66/585958466.db2.gz FTERSGFIGMBCTK-CHWSQXEVSA-N 0 0 245.366 3.569 20 0 BHADRN CC[C@@H](C)CC(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC000790131704 585958632 /nfs/dbraw/zinc/95/86/32/585958632.db2.gz FTERSGFIGMBCTK-OLZOCXBDSA-N 0 0 245.366 3.569 20 0 BHADRN CC[C@H](C)CC(=O)N1Cc2ccccc2[C@H](C)C1 ZINC000790131705 585958484 /nfs/dbraw/zinc/95/84/84/585958484.db2.gz FTERSGFIGMBCTK-QWHCGFSZSA-N 0 0 245.366 3.569 20 0 BHADRN CC[C@H](C)CC(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC000790131706 585958486 /nfs/dbraw/zinc/95/84/86/585958486.db2.gz FTERSGFIGMBCTK-STQMWFEESA-N 0 0 245.366 3.569 20 0 BHADRN CCCCC[S@](=O)[C@@H](C)c1cccs1 ZINC000790211998 585961325 /nfs/dbraw/zinc/96/13/25/585961325.db2.gz RXAGGPDIZOPZDJ-HZMBPMFUSA-N 0 0 230.398 3.748 20 0 BHADRN CCCCC[S@@](=O)[C@@H](C)c1cccs1 ZINC000790211999 585961379 /nfs/dbraw/zinc/96/13/79/585961379.db2.gz RXAGGPDIZOPZDJ-IINYFYTJSA-N 0 0 230.398 3.748 20 0 BHADRN CCCCC[S@@](=O)[C@H](C)c1cccs1 ZINC000790212000 585961303 /nfs/dbraw/zinc/96/13/03/585961303.db2.gz RXAGGPDIZOPZDJ-QMTHXVAHSA-N 0 0 230.398 3.748 20 0 BHADRN CCCCC[S@](=O)[C@H](C)c1cccs1 ZINC000790212001 585961286 /nfs/dbraw/zinc/96/12/86/585961286.db2.gz RXAGGPDIZOPZDJ-YGRLFVJLSA-N 0 0 230.398 3.748 20 0 BHADRN CC[C@H](C)CC(=O)Oc1ccc(C)cc1C ZINC000790226624 585961279 /nfs/dbraw/zinc/96/12/79/585961279.db2.gz BCMCABUSOMVESM-JTQLQIEISA-N 0 0 220.312 3.645 20 0 BHADRN CC[C@@H](C)CC(=O)Oc1ccc(C)cc1C ZINC000790226625 585961436 /nfs/dbraw/zinc/96/14/36/585961436.db2.gz BCMCABUSOMVESM-SNVBAGLBSA-N 0 0 220.312 3.645 20 0 BHADRN CC[C@@H](C)CC(=O)Oc1ccc(Cl)cc1 ZINC000790227184 585961390 /nfs/dbraw/zinc/96/13/90/585961390.db2.gz GEJHKWKQKIWPBQ-SECBINFHSA-N 0 0 226.703 3.682 20 0 BHADRN CC[C@H](C)CC(=O)Oc1ccc(Cl)cc1 ZINC000790227186 585961335 /nfs/dbraw/zinc/96/13/35/585961335.db2.gz GEJHKWKQKIWPBQ-VIFPVBQESA-N 0 0 226.703 3.682 20 0 BHADRN CC[C@H](C)CC(=O)Oc1ccc(SC)cc1 ZINC000790227347 585961468 /nfs/dbraw/zinc/96/14/68/585961468.db2.gz FVOGAQOEOVOUOR-JTQLQIEISA-N 0 0 238.352 3.750 20 0 BHADRN CC[C@@H](C)CC(=O)Oc1ccc(SC)cc1 ZINC000790227349 585961443 /nfs/dbraw/zinc/96/14/43/585961443.db2.gz FVOGAQOEOVOUOR-SNVBAGLBSA-N 0 0 238.352 3.750 20 0 BHADRN CC[C@@H](C)CC(=O)Oc1ccccc1Cl ZINC000790228006 585961451 /nfs/dbraw/zinc/96/14/51/585961451.db2.gz MWOZVCHXNOEPST-SECBINFHSA-N 0 0 226.703 3.682 20 0 BHADRN CC[C@H](C)CC(=O)Oc1ccccc1Cl ZINC000790228007 585961355 /nfs/dbraw/zinc/96/13/55/585961355.db2.gz MWOZVCHXNOEPST-VIFPVBQESA-N 0 0 226.703 3.682 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CC(C)(C)C1 ZINC000790233630 585961561 /nfs/dbraw/zinc/96/15/61/585961561.db2.gz AESHFPVMXDQOLP-HNNXBMFYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CC(C)(C)C1 ZINC000790233632 585961688 /nfs/dbraw/zinc/96/16/88/585961688.db2.gz AESHFPVMXDQOLP-OAHLLOKOSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@H](C(=O)N1CC(C)(C)C1)C(C)C ZINC000790234054 585961565 /nfs/dbraw/zinc/96/15/65/585961565.db2.gz DUMSQGHLPWVETP-CYBMUJFWSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@H](C(=O)N1CC(C)(C)C1)C(C)C ZINC000790234055 585961593 /nfs/dbraw/zinc/96/15/93/585961593.db2.gz DUMSQGHLPWVETP-ZDUSSCGKSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1CC(C)(C)C1 ZINC000790236287 585961802 /nfs/dbraw/zinc/96/18/02/585961802.db2.gz UHBHYZJPNIBARG-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1CC(C)(C)C1 ZINC000790236290 585961753 /nfs/dbraw/zinc/96/17/53/585961753.db2.gz UHBHYZJPNIBARG-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@@H](C)c1ccc(C(=O)N2CC(C)(C)C2)cc1 ZINC000790237824 585961801 /nfs/dbraw/zinc/96/18/01/585961801.db2.gz YOTCFPDBSXIARY-GFCCVEGCSA-N 0 0 245.366 3.682 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2CC(C)(C)C2)cc1 ZINC000790237825 585961792 /nfs/dbraw/zinc/96/17/92/585961792.db2.gz YOTCFPDBSXIARY-LBPRGKRZSA-N 0 0 245.366 3.682 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)N1CC(C)(C)C1 ZINC000790237866 585961763 /nfs/dbraw/zinc/96/17/63/585961763.db2.gz ZWUQVSHQKAANES-CYBMUJFWSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1CC(C)(C)C1 ZINC000790237867 585961770 /nfs/dbraw/zinc/96/17/70/585961770.db2.gz ZWUQVSHQKAANES-ZDUSSCGKSA-N 0 0 239.403 3.851 20 0 BHADRN COC(=O)Oc1cccc(Oc2ccccc2)c1 ZINC000790251613 712421197 /nfs/dbraw/zinc/42/11/97/712421197.db2.gz AGOZZTXLEKPSCP-UHFFFAOYSA-N 0 0 244.246 3.624 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C[C@H](C)CC ZINC000790254317 585961911 /nfs/dbraw/zinc/96/19/11/585961911.db2.gz UWHDUQSPRCRFOI-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C[C@H](C)CC ZINC000790254318 585961860 /nfs/dbraw/zinc/96/18/60/585961860.db2.gz UWHDUQSPRCRFOI-OLZOCXBDSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C[C@@H](C)CC ZINC000790254319 585961961 /nfs/dbraw/zinc/96/19/61/585961961.db2.gz UWHDUQSPRCRFOI-QWHCGFSZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C[C@@H](C)CC ZINC000790254320 585961946 /nfs/dbraw/zinc/96/19/46/585961946.db2.gz UWHDUQSPRCRFOI-STQMWFEESA-N 0 0 227.392 3.898 20 0 BHADRN CCC[C@@H](C)NC(=O)c1ccccc1CC(C)C ZINC000790254657 585961897 /nfs/dbraw/zinc/96/18/97/585961897.db2.gz RKFRHGLQMSHAIG-CYBMUJFWSA-N 0 0 247.382 3.804 20 0 BHADRN CCC[C@H](C)NC(=O)c1ccccc1CC(C)C ZINC000790254658 585961959 /nfs/dbraw/zinc/96/19/59/585961959.db2.gz RKFRHGLQMSHAIG-ZDUSSCGKSA-N 0 0 247.382 3.804 20 0 BHADRN CCCCN(C)C(=O)c1ccccc1CC(C)C ZINC000790257781 585961953 /nfs/dbraw/zinc/96/19/53/585961953.db2.gz UVZLUVPJNHRCIK-UHFFFAOYSA-N 0 0 247.382 3.757 20 0 BHADRN C[C@@H](SCc1ncccn1)c1cccs1 ZINC000790269198 585962104 /nfs/dbraw/zinc/96/21/04/585962104.db2.gz YIUZADGHLYJUMS-SECBINFHSA-N 0 0 236.365 3.533 20 0 BHADRN C[C@H](SCc1ncccn1)c1cccs1 ZINC000790269199 712421158 /nfs/dbraw/zinc/42/11/58/712421158.db2.gz YIUZADGHLYJUMS-VIFPVBQESA-N 0 0 236.365 3.533 20 0 BHADRN CCCN(CC)C(=O)c1ccccc1CC(C)C ZINC000790276072 585962185 /nfs/dbraw/zinc/96/21/85/585962185.db2.gz FVOGYNPJYQNHSX-UHFFFAOYSA-N 0 0 247.382 3.757 20 0 BHADRN CC(C)Cc1ccccc1C(=O)N(C)CC(C)C ZINC000790277759 585962282 /nfs/dbraw/zinc/96/22/82/585962282.db2.gz RVKJKFLEKPKEBT-UHFFFAOYSA-N 0 0 247.382 3.613 20 0 BHADRN Cc1coc(S[C@@H]2CCc3ccccc3C2)n1 ZINC000790278390 585962305 /nfs/dbraw/zinc/96/23/05/585962305.db2.gz DUEBMNPBABFDOJ-CYBMUJFWSA-N 0 0 245.347 3.633 20 0 BHADRN Cc1coc(S[C@H]2CCc3ccccc3C2)n1 ZINC000790278392 585962308 /nfs/dbraw/zinc/96/23/08/585962308.db2.gz DUEBMNPBABFDOJ-ZDUSSCGKSA-N 0 0 245.347 3.633 20 0 BHADRN CC[C@@H](C)CC(=O)N(CC)c1ccc(C)cc1 ZINC000790279257 585962276 /nfs/dbraw/zinc/96/22/76/585962276.db2.gz NHCAKZFETVTELB-GFCCVEGCSA-N 0 0 233.355 3.784 20 0 BHADRN CC[C@H](C)CC(=O)N(CC)c1ccc(C)cc1 ZINC000790279258 585962302 /nfs/dbraw/zinc/96/23/02/585962302.db2.gz NHCAKZFETVTELB-LBPRGKRZSA-N 0 0 233.355 3.784 20 0 BHADRN Cc1cccc(NC(=S)Nc2ccsc2)c1 ZINC000790298845 585962440 /nfs/dbraw/zinc/96/24/40/585962440.db2.gz FBCPOCWKJJICAO-UHFFFAOYSA-N 0 0 248.376 3.865 20 0 BHADRN CN(C(=S)Nc1ccsc1)c1ccccc1 ZINC000790299237 585962465 /nfs/dbraw/zinc/96/24/65/585962465.db2.gz NLMRMQOSQRXETC-UHFFFAOYSA-N 0 0 248.376 3.581 20 0 BHADRN Cc1ccccc1NC(=S)Nc1ccsc1 ZINC000790299248 585962527 /nfs/dbraw/zinc/96/25/27/585962527.db2.gz NRQZPWVAZNLWJQ-UHFFFAOYSA-N 0 0 248.376 3.865 20 0 BHADRN Cc1ccc(NC(=S)Nc2ccsc2)cc1 ZINC000790299823 585962793 /nfs/dbraw/zinc/96/27/93/585962793.db2.gz UNWYWZDRYGXPGW-UHFFFAOYSA-N 0 0 248.376 3.865 20 0 BHADRN CCCCN(CC)C(=S)Nc1ccsc1 ZINC000790301717 585962930 /nfs/dbraw/zinc/96/29/30/585962930.db2.gz HNLMMWCSZNYBFD-UHFFFAOYSA-N 0 0 242.413 3.567 20 0 BHADRN CCCN(CCC)C(=S)Nc1ccsc1 ZINC000790303112 585962896 /nfs/dbraw/zinc/96/28/96/585962896.db2.gz SQFGOGRSECUFTI-UHFFFAOYSA-N 0 0 242.413 3.567 20 0 BHADRN CCCCCCNC(=S)Nc1ccsc1 ZINC000790303417 585963057 /nfs/dbraw/zinc/96/30/57/585963057.db2.gz UNXJHEHWGVLUSE-UHFFFAOYSA-N 0 0 242.413 3.615 20 0 BHADRN CCC[C@@H](C)N(C)C(=S)Nc1ccsc1 ZINC000790307993 585963245 /nfs/dbraw/zinc/96/32/45/585963245.db2.gz YHPUIUPBTJXLHC-SECBINFHSA-N 0 0 242.413 3.565 20 0 BHADRN CCC[C@H](C)N(C)C(=S)Nc1ccsc1 ZINC000790307996 585963352 /nfs/dbraw/zinc/96/33/52/585963352.db2.gz YHPUIUPBTJXLHC-VIFPVBQESA-N 0 0 242.413 3.565 20 0 BHADRN CCC[C@@H](CC)NC(=S)Nc1ccsc1 ZINC000790308218 585963237 /nfs/dbraw/zinc/96/32/37/585963237.db2.gz KMIJMHULBSUZOI-SECBINFHSA-N 0 0 242.413 3.613 20 0 BHADRN CCC[C@H](CC)NC(=S)Nc1ccsc1 ZINC000790308220 585963326 /nfs/dbraw/zinc/96/33/26/585963326.db2.gz KMIJMHULBSUZOI-VIFPVBQESA-N 0 0 242.413 3.613 20 0 BHADRN COC(=O)Oc1cc(C)c(Cl)cc1C(C)C ZINC000790310877 585963688 /nfs/dbraw/zinc/96/36/88/585963688.db2.gz HCGGBKCCNRNSDS-UHFFFAOYSA-N 0 0 242.702 3.917 20 0 BHADRN CCSCCSCCCC1CCOCC1 ZINC000790314698 585963610 /nfs/dbraw/zinc/96/36/10/585963610.db2.gz FZAHRRVHVMUIKD-UHFFFAOYSA-N 0 0 248.457 3.680 20 0 BHADRN CC(C)=CCCNC(=S)Nc1ccc(C)cc1 ZINC000790329481 585963375 /nfs/dbraw/zinc/96/33/75/585963375.db2.gz AOTLUHFGKJGIGD-UHFFFAOYSA-N 0 0 248.395 3.638 20 0 BHADRN CC(C)=CCNC(=S)Nc1cc(C)cc(C)c1 ZINC000790329571 585963777 /nfs/dbraw/zinc/96/37/77/585963777.db2.gz GUWOPPJVEJMBLX-UHFFFAOYSA-N 0 0 248.395 3.556 20 0 BHADRN CC(C)=CCNC(=S)Nc1ccc(C)c(C)c1 ZINC000790329706 585963938 /nfs/dbraw/zinc/96/39/38/585963938.db2.gz IEWSOKFJBPMMFK-UHFFFAOYSA-N 0 0 248.395 3.556 20 0 BHADRN CC(C)=CCNC(=S)Nc1cccc(C)c1C ZINC000790329893 585963957 /nfs/dbraw/zinc/96/39/57/585963957.db2.gz LXBWPLKXWVVSAG-UHFFFAOYSA-N 0 0 248.395 3.556 20 0 BHADRN CC(C)=CCNC(=S)Nc1c(C)cccc1C ZINC000790330078 585963822 /nfs/dbraw/zinc/96/38/22/585963822.db2.gz PAWOCCCCDXUPFT-UHFFFAOYSA-N 0 0 248.395 3.556 20 0 BHADRN CCc1ccc(NC(=S)NCC=C(C)C)cc1 ZINC000790330081 585963760 /nfs/dbraw/zinc/96/37/60/585963760.db2.gz PEMIBYVEWAUWBF-UHFFFAOYSA-N 0 0 248.395 3.502 20 0 BHADRN CCc1ccccc1NC(=S)NCC=C(C)C ZINC000790330113 585963920 /nfs/dbraw/zinc/96/39/20/585963920.db2.gz QLBWIBFIDQEJDH-UHFFFAOYSA-N 0 0 248.395 3.502 20 0 BHADRN CCc1cccc(NC(=S)NCC=C(C)C)c1 ZINC000790330168 585963814 /nfs/dbraw/zinc/96/38/14/585963814.db2.gz SRVFLRBTRGOIKK-UHFFFAOYSA-N 0 0 248.395 3.502 20 0 BHADRN CC(C)=CCCNC(=S)Nc1ccccc1C ZINC000790330508 585963977 /nfs/dbraw/zinc/96/39/77/585963977.db2.gz WLITVADXIOMUOU-UHFFFAOYSA-N 0 0 248.395 3.638 20 0 BHADRN CC(C)=CCCNC(=S)Nc1cccc(C)c1 ZINC000790330533 585963861 /nfs/dbraw/zinc/96/38/61/585963861.db2.gz XMZNTKIJMHHIID-UHFFFAOYSA-N 0 0 248.395 3.638 20 0 BHADRN CC(C)=CCNC(=S)Nc1ccc(C)cc1C ZINC000790333548 585963951 /nfs/dbraw/zinc/96/39/51/585963951.db2.gz LVBXNTNSOYWCDI-UHFFFAOYSA-N 0 0 248.395 3.556 20 0 BHADRN CC(C)=CCNC(=S)Nc1cc(C)ccc1C ZINC000790333558 585963865 /nfs/dbraw/zinc/96/38/65/585963865.db2.gz MDJDYPRHMCUMQP-UHFFFAOYSA-N 0 0 248.395 3.556 20 0 BHADRN CCCCCc1ccc(OC(=O)OC)cc1 ZINC000790347452 585963988 /nfs/dbraw/zinc/96/39/88/585963988.db2.gz HCDPGHPFMRDEJY-UHFFFAOYSA-N 0 0 222.284 3.565 20 0 BHADRN CC[C@@H](C)CC(=O)N(C)c1ccc(C)c(C)c1 ZINC000790378329 585964329 /nfs/dbraw/zinc/96/43/29/585964329.db2.gz SMJJYQBMJLLLGB-LLVKDONJSA-N 0 0 233.355 3.702 20 0 BHADRN CC[C@H](C)CC(=O)N(C)c1ccc(C)c(C)c1 ZINC000790378330 585964079 /nfs/dbraw/zinc/96/40/79/585964079.db2.gz SMJJYQBMJLLLGB-NSHDSACASA-N 0 0 233.355 3.702 20 0 BHADRN Cc1cc(F)c(F)cc1OC(=O)OC(C)(C)C ZINC000790405593 585964274 /nfs/dbraw/zinc/96/42/74/585964274.db2.gz XEABZTHNQLLJHO-UHFFFAOYSA-N 0 0 244.237 3.587 20 0 BHADRN CN(C(=O)OC(C)(C)C)C(C)(C)c1ccccc1 ZINC000790412807 585964387 /nfs/dbraw/zinc/96/43/87/585964387.db2.gz ADWDOOXXKKEXLE-UHFFFAOYSA-N 0 0 249.354 3.789 20 0 BHADRN COC(=O)Oc1cc(C(C)C)c(Cl)cc1C ZINC000790422734 585964339 /nfs/dbraw/zinc/96/43/39/585964339.db2.gz TYJVYTSMVMJNHM-UHFFFAOYSA-N 0 0 242.702 3.917 20 0 BHADRN CCCCCCSCc1ncnn1CCC ZINC000790451539 585482062 /nfs/dbraw/zinc/48/20/62/585482062.db2.gz SRGTZZVKZJGQSP-UHFFFAOYSA-N 0 0 241.404 3.502 20 0 BHADRN COC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000790464503 585965133 /nfs/dbraw/zinc/96/51/33/585965133.db2.gz 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/nfs/dbraw/zinc/98/15/25/585981525.db2.gz RNEHHUWHLZJRBB-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN CCC[C@H](C(=O)OCc1cc(C)ccn1)C(C)C ZINC000791436917 585981622 /nfs/dbraw/zinc/98/16/22/585981622.db2.gz HQVDZFIPMOISGI-AWEZNQCLSA-N 0 0 249.354 3.506 20 0 BHADRN CCC[C@@H](C(=O)OCc1cc(C)ccn1)C(C)C ZINC000791436919 585981490 /nfs/dbraw/zinc/98/14/90/585981490.db2.gz HQVDZFIPMOISGI-CQSZACIVSA-N 0 0 249.354 3.506 20 0 BHADRN CCSCSc1ccc2c(c1)CCC2 ZINC000791437136 585981453 /nfs/dbraw/zinc/98/14/53/585981453.db2.gz GETRHOURZZHMCT-UHFFFAOYSA-N 0 0 224.394 3.978 20 0 BHADRN CCSCSCc1cccc(OC)c1 ZINC000791437824 585981492 /nfs/dbraw/zinc/98/14/92/585981492.db2.gz MCHNOIITZPBYEO-UHFFFAOYSA-N 0 0 228.382 3.639 20 0 BHADRN CC(C)(C(=O)Oc1ccccc1Cl)C(F)F ZINC000791441208 585981660 /nfs/dbraw/zinc/98/16/60/585981660.db2.gz FZAFWSKVMSMDFI-UHFFFAOYSA-N 0 0 248.656 3.537 20 0 BHADRN CC(C)(C(=O)Oc1ccc(Cl)cc1)C(F)F ZINC000791441530 585981650 /nfs/dbraw/zinc/98/16/50/585981650.db2.gz RBCRTCWUWYGNDS-UHFFFAOYSA-N 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Cc1ccnc(COC(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000791453869 585981708 /nfs/dbraw/zinc/98/17/08/585981708.db2.gz IKZPWQVINMNJAH-LBPRGKRZSA-N 0 0 249.354 3.506 20 0 BHADRN Cc1cccc(OC(=O)C(C)(C)C(F)F)c1C ZINC000791455818 585981914 /nfs/dbraw/zinc/98/19/14/585981914.db2.gz SYLFKYYYNAIZKX-UHFFFAOYSA-N 0 0 242.265 3.500 20 0 BHADRN Cc1ccc(OC(=O)C(C)(C)C(F)F)c(C)c1 ZINC000791460160 585981977 /nfs/dbraw/zinc/98/19/77/585981977.db2.gz IDFMBPSABVMPQS-UHFFFAOYSA-N 0 0 242.265 3.500 20 0 BHADRN O=C(CC1CCCCC1)OCCCCCF ZINC000791487292 585982061 /nfs/dbraw/zinc/98/20/61/585982061.db2.gz MUWTWFNERXPZQB-UHFFFAOYSA-N 0 0 230.323 3.640 20 0 BHADRN Cc1ccc(C)c(C(=O)OCCCCCF)c1 ZINC000791494792 585982233 /nfs/dbraw/zinc/98/22/33/585982233.db2.gz DOGXTPZZNNYOGX-UHFFFAOYSA-N 0 0 238.302 3.600 20 0 BHADRN Cc1cc(C)cc(C(=O)OCCCCCF)c1 ZINC000791495573 585982159 /nfs/dbraw/zinc/98/21/59/585982159.db2.gz LIULEJJUGXHQPQ-UHFFFAOYSA-N 0 0 238.302 3.600 20 0 BHADRN O=C(CCC1CCCC1)OCCCCCF ZINC000791496195 585982065 /nfs/dbraw/zinc/98/20/65/585982065.db2.gz SIELXZOTYRTXEH-UHFFFAOYSA-N 0 0 230.323 3.640 20 0 BHADRN O=C(OCCCCCF)c1cccc(Cl)c1 ZINC000791496226 585982050 /nfs/dbraw/zinc/98/20/50/585982050.db2.gz SOZNSACQKRSCRW-UHFFFAOYSA-N 0 0 244.693 3.637 20 0 BHADRN O=C(OCCCCCF)c1ccc(Cl)cc1 ZINC000791497547 585982280 /nfs/dbraw/zinc/98/22/80/585982280.db2.gz PHAFENPPGADVIT-UHFFFAOYSA-N 0 0 244.693 3.637 20 0 BHADRN CC[C@@H](C)CC(=O)OCc1cccc(C(C)C)n1 ZINC000791497796 585982393 /nfs/dbraw/zinc/98/23/93/585982393.db2.gz MRAHNZZTXUCHHZ-GFCCVEGCSA-N 0 0 249.354 3.684 20 0 BHADRN CC[C@H](C)CC(=O)OCc1cccc(C(C)C)n1 ZINC000791497797 585982342 /nfs/dbraw/zinc/98/23/42/585982342.db2.gz MRAHNZZTXUCHHZ-LBPRGKRZSA-N 0 0 249.354 3.684 20 0 BHADRN CC[C@@H](C)CC(=O)O[C@H](C)c1ccccc1F ZINC000791498230 585982276 /nfs/dbraw/zinc/98/22/76/585982276.db2.gz NFCZCPSAVPTNPY-GHMZBOCLSA-N 0 0 238.302 3.866 20 0 BHADRN CC[C@@H](C)CC(=O)O[C@@H](C)c1ccccc1F ZINC000791498231 585982377 /nfs/dbraw/zinc/98/23/77/585982377.db2.gz 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0 0 242.265 3.558 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@H](C)c1ccsc1 ZINC000791893875 585990310 /nfs/dbraw/zinc/99/03/10/585990310.db2.gz BQLAFCMPJHFYBP-GHMZBOCLSA-N 0 0 240.368 3.831 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@@H](C)c1ccsc1 ZINC000791893876 585990423 /nfs/dbraw/zinc/99/04/23/585990423.db2.gz BQLAFCMPJHFYBP-MNOVXSKESA-N 0 0 240.368 3.831 20 0 BHADRN CCC[C@H](C)COC(=O)[C@@H](C)c1ccsc1 ZINC000791893878 585990294 /nfs/dbraw/zinc/99/02/94/585990294.db2.gz BQLAFCMPJHFYBP-QWRGUYRKSA-N 0 0 240.368 3.831 20 0 BHADRN CCC[C@H](C)COC(=O)[C@H](C)c1ccsc1 ZINC000791893880 585990411 /nfs/dbraw/zinc/99/04/11/585990411.db2.gz BQLAFCMPJHFYBP-WDEREUQCSA-N 0 0 240.368 3.831 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@H](C)c1cccs1 ZINC000791894331 585990640 /nfs/dbraw/zinc/99/06/40/585990640.db2.gz DKHGFZDBSGKGJK-GHMZBOCLSA-N 0 0 240.368 3.831 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@@H](C)c1cccs1 ZINC000791894332 585990508 /nfs/dbraw/zinc/99/05/08/585990508.db2.gz DKHGFZDBSGKGJK-MNOVXSKESA-N 0 0 240.368 3.831 20 0 BHADRN CCC[C@H](C)COC(=O)[C@@H](C)c1cccs1 ZINC000791894333 585990501 /nfs/dbraw/zinc/99/05/01/585990501.db2.gz DKHGFZDBSGKGJK-QWRGUYRKSA-N 0 0 240.368 3.831 20 0 BHADRN CCC[C@H](C)COC(=O)[C@H](C)c1cccs1 ZINC000791894334 585990533 /nfs/dbraw/zinc/99/05/33/585990533.db2.gz DKHGFZDBSGKGJK-WDEREUQCSA-N 0 0 240.368 3.831 20 0 BHADRN CCC[C@@H](C)COC(=O)c1cccnc1C1CC1 ZINC000791894537 585990518 /nfs/dbraw/zinc/99/05/18/585990518.db2.gz HDQRVDBKEHUSDY-LLVKDONJSA-N 0 0 247.338 3.552 20 0 BHADRN CCC[C@H](C)COC(=O)c1cccnc1C1CC1 ZINC000791894541 583448455 /nfs/dbraw/zinc/44/84/55/583448455.db2.gz HDQRVDBKEHUSDY-NSHDSACASA-N 0 0 247.338 3.552 20 0 BHADRN CCC[C@@H](C)COC(=O)c1cccc(C(C)C)n1 ZINC000791894804 585990494 /nfs/dbraw/zinc/99/04/94/585990494.db2.gz DNVZNABAXQGQBQ-GFCCVEGCSA-N 0 0 249.354 3.798 20 0 BHADRN CCC[C@H](C)COC(=O)c1cccc(C(C)C)n1 ZINC000791894805 585990559 /nfs/dbraw/zinc/99/05/59/585990559.db2.gz DNVZNABAXQGQBQ-LBPRGKRZSA-N 0 0 249.354 3.798 20 0 BHADRN CCC[C@@H](C)COC(=O)c1ccc(SC)o1 ZINC000791894843 585990652 /nfs/dbraw/zinc/99/06/52/585990652.db2.gz GJEKZVSZUJTHKG-SECBINFHSA-N 0 0 242.340 3.595 20 0 BHADRN CCC[C@H](C)COC(=O)c1ccc(SC)o1 ZINC000791894844 585990578 /nfs/dbraw/zinc/99/05/78/585990578.db2.gz GJEKZVSZUJTHKG-VIFPVBQESA-N 0 0 242.340 3.595 20 0 BHADRN CCC[C@H](C)COC(=O)[C@H](C)c1ccc(C)o1 ZINC000791895394 585990620 /nfs/dbraw/zinc/99/06/20/585990620.db2.gz PVPVJVGGJGVBHK-CMPLNLGQSA-N 0 0 238.327 3.671 20 0 BHADRN CCC[C@H](C)COC(=O)[C@@H](C)c1ccc(C)o1 ZINC000791895397 585990619 /nfs/dbraw/zinc/99/06/19/585990619.db2.gz PVPVJVGGJGVBHK-JQWIXIFHSA-N 0 0 238.327 3.671 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@@H](C)c1ccc(C)o1 ZINC000791895399 583448435 /nfs/dbraw/zinc/44/84/35/583448435.db2.gz PVPVJVGGJGVBHK-PWSUYJOCSA-N 0 0 238.327 3.671 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@H](C)c1ccc(C)o1 ZINC000791895403 583448427 /nfs/dbraw/zinc/44/84/27/583448427.db2.gz PVPVJVGGJGVBHK-ZYHUDNBSSA-N 0 0 238.327 3.671 20 0 BHADRN CCC[C@H](C)COC(=O)C12CCC(CC1)C2 ZINC000791895434 585990647 /nfs/dbraw/zinc/99/06/47/585990647.db2.gz QERHKCIOBOGLNX-DCBWTQNWSA-N 0 0 224.344 3.546 20 0 BHADRN CCC[C@@H](C)COC(=O)C12CCC(CC1)C2 ZINC000791895436 585990614 /nfs/dbraw/zinc/99/06/14/585990614.db2.gz QERHKCIOBOGLNX-LKSINWNRSA-N 0 0 224.344 3.546 20 0 BHADRN CCC[C@H](C)COC(=O)[C@@H](F)c1ccccc1 ZINC000791895504 585990613 /nfs/dbraw/zinc/99/06/13/585990613.db2.gz RXDSUFWYNYWNRS-AAEUAGOBSA-N 0 0 238.302 3.677 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@H](F)c1ccccc1 ZINC000791895505 585990666 /nfs/dbraw/zinc/99/06/66/585990666.db2.gz RXDSUFWYNYWNRS-DGCLKSJQSA-N 0 0 238.302 3.677 20 0 BHADRN CCC[C@H](C)COC(=O)[C@H](F)c1ccccc1 ZINC000791895506 583448689 /nfs/dbraw/zinc/44/86/89/583448689.db2.gz RXDSUFWYNYWNRS-WCQYABFASA-N 0 0 238.302 3.677 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@@H](F)c1ccccc1 ZINC000791895507 583448726 /nfs/dbraw/zinc/44/87/26/583448726.db2.gz RXDSUFWYNYWNRS-YPMHNXCESA-N 0 0 238.302 3.677 20 0 BHADRN CCC[C@H](C)COC(=O)C1CCC(F)(F)CC1 ZINC000791895514 585990661 /nfs/dbraw/zinc/99/06/61/585990661.db2.gz SATZFCVMPCXALL-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@@H](C)COC(=O)C1CCC(F)(F)CC1 ZINC000791895618 585990558 /nfs/dbraw/zinc/99/05/58/585990558.db2.gz SATZFCVMPCXALL-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@H](C)COC(=O)Cc1ccsc1C ZINC000791895713 585990565 /nfs/dbraw/zinc/99/05/65/585990565.db2.gz XUGYEFCXOAADPK-JTQLQIEISA-N 0 0 240.368 3.578 20 0 BHADRN CCC[C@@H](C)COC(=O)Cc1ccsc1C ZINC000791895714 585990587 /nfs/dbraw/zinc/99/05/87/585990587.db2.gz XUGYEFCXOAADPK-SNVBAGLBSA-N 0 0 240.368 3.578 20 0 BHADRN CCC[C@H](C)COC(=O)Cc1ccc(C)s1 ZINC000791895747 585990504 /nfs/dbraw/zinc/99/05/04/585990504.db2.gz SNMMKGJERGYFCK-JTQLQIEISA-N 0 0 240.368 3.578 20 0 BHADRN CCC[C@@H](C)COC(=O)Cc1ccc(C)s1 ZINC000791895748 585990557 /nfs/dbraw/zinc/99/05/57/585990557.db2.gz SNMMKGJERGYFCK-SNVBAGLBSA-N 0 0 240.368 3.578 20 0 BHADRN CCC[C@@H](C)COC(=O)CCCC(F)(F)F ZINC000791895765 583449006 /nfs/dbraw/zinc/44/90/06/583449006.db2.gz SWSYYLTYAQREFG-SECBINFHSA-N 0 0 240.265 3.698 20 0 BHADRN CCC[C@H](C)COC(=O)CCCC(F)(F)F ZINC000791895766 583448718 /nfs/dbraw/zinc/44/87/18/583448718.db2.gz SWSYYLTYAQREFG-VIFPVBQESA-N 0 0 240.265 3.698 20 0 BHADRN CCC[C@@H](C)COC(=O)CCc1cccs1 ZINC000791896135 585990816 /nfs/dbraw/zinc/99/08/16/585990816.db2.gz BBEHUANPGZDOTE-LLVKDONJSA-N 0 0 240.368 3.660 20 0 BHADRN CCC[C@H](C)COC(=O)CCc1cccs1 ZINC000791896136 585990876 /nfs/dbraw/zinc/99/08/76/585990876.db2.gz BBEHUANPGZDOTE-NSHDSACASA-N 0 0 240.368 3.660 20 0 BHADRN CCC[C@@H](C)COC(=O)CCc1ccsc1 ZINC000791896756 585990794 /nfs/dbraw/zinc/99/07/94/585990794.db2.gz KZWZACXRCSNRRN-LLVKDONJSA-N 0 0 240.368 3.660 20 0 BHADRN CCC[C@H](C)COC(=O)CCc1ccsc1 ZINC000791896757 585990822 /nfs/dbraw/zinc/99/08/22/585990822.db2.gz KZWZACXRCSNRRN-NSHDSACASA-N 0 0 240.368 3.660 20 0 BHADRN CCC[C@@H](C)COC(=O)CCc1ccc(C)o1 ZINC000791898372 583449951 /nfs/dbraw/zinc/44/99/51/583449951.db2.gz UHVJBBZYVLQJAX-LLVKDONJSA-N 0 0 238.327 3.500 20 0 BHADRN CCC[C@H](C)COC(=O)CCc1ccc(C)o1 ZINC000791898383 583449954 /nfs/dbraw/zinc/44/99/54/583449954.db2.gz UHVJBBZYVLQJAX-NSHDSACASA-N 0 0 238.327 3.500 20 0 BHADRN CCC[C@@H](C)COC(=O)c1ccnc(C2CC2)c1 ZINC000791899906 585991001 /nfs/dbraw/zinc/99/10/01/585991001.db2.gz TZXMAPSCEQXRMJ-LLVKDONJSA-N 0 0 247.338 3.552 20 0 BHADRN CCC[C@H](C)COC(=O)c1ccnc(C2CC2)c1 ZINC000791899907 585990905 /nfs/dbraw/zinc/99/09/05/585990905.db2.gz TZXMAPSCEQXRMJ-NSHDSACASA-N 0 0 247.338 3.552 20 0 BHADRN C[C@H](CC1CCCC1)C(=O)OCCCCCF ZINC000791908450 585991120 /nfs/dbraw/zinc/99/11/20/585991120.db2.gz UNZGFBYMXISVLK-GFCCVEGCSA-N 0 0 244.350 3.886 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)OCCCCCF ZINC000791908451 585991233 /nfs/dbraw/zinc/99/12/33/585991233.db2.gz UNZGFBYMXISVLK-LBPRGKRZSA-N 0 0 244.350 3.886 20 0 BHADRN C[C@H](C(=O)OCCCCCF)c1ccsc1 ZINC000791931118 585991910 /nfs/dbraw/zinc/99/19/10/585991910.db2.gz PYHLNJCFPLUZSB-JTQLQIEISA-N 0 0 244.331 3.535 20 0 BHADRN C[C@@H](C(=O)OCCCCCF)c1ccsc1 ZINC000791931119 585991788 /nfs/dbraw/zinc/99/17/88/585991788.db2.gz PYHLNJCFPLUZSB-SNVBAGLBSA-N 0 0 244.331 3.535 20 0 BHADRN C[C@H](C(=O)OCCCCCF)c1cccs1 ZINC000791931655 585991770 /nfs/dbraw/zinc/99/17/70/585991770.db2.gz SVSPQATWNPPGGX-JTQLQIEISA-N 0 0 244.331 3.535 20 0 BHADRN C[C@@H](C(=O)OCCCCCF)c1cccs1 ZINC000791931656 585991708 /nfs/dbraw/zinc/99/17/08/585991708.db2.gz SVSPQATWNPPGGX-SNVBAGLBSA-N 0 0 244.331 3.535 20 0 BHADRN Cc1cccc(C)c1C(=O)OCCCCCF ZINC000791932008 585991941 /nfs/dbraw/zinc/99/19/41/585991941.db2.gz VBOPVNNHBHMIRZ-UHFFFAOYSA-N 0 0 238.302 3.600 20 0 BHADRN C/C(=C/C(=O)OCCCCCF)C(C)(C)C ZINC000791965039 585992485 /nfs/dbraw/zinc/99/24/85/585992485.db2.gz HFNKQVKEHNAICK-KHPPLWFESA-N 0 0 230.323 3.662 20 0 BHADRN C/C(=C\C(=O)OCCCCCF)C(C)(C)C ZINC000791965041 585992464 /nfs/dbraw/zinc/99/24/64/585992464.db2.gz HFNKQVKEHNAICK-ZHACJKMWSA-N 0 0 230.323 3.662 20 0 BHADRN CCCCCC[C@H](C)NC(=O)N1[C@@H](C)C[C@@H]1C ZINC000791974384 585992603 /nfs/dbraw/zinc/99/26/03/585992603.db2.gz DJZWXZVLFTXYDB-AVGNSLFASA-N 0 0 240.391 3.538 20 0 BHADRN CCCCCC[C@H](C)NC(=O)N1[C@H](C)C[C@@H]1C ZINC000791974385 585992793 /nfs/dbraw/zinc/99/27/93/585992793.db2.gz DJZWXZVLFTXYDB-RWMBFGLXSA-N 0 0 240.391 3.538 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)N1[C@H](C)C[C@@H]1C ZINC000791974386 585992657 /nfs/dbraw/zinc/99/26/57/585992657.db2.gz DJZWXZVLFTXYDB-UPJWGTAASA-N 0 0 240.391 3.538 20 0 BHADRN CCCCCC[C@H](C)NC(=O)N1[C@H](C)C[C@H]1C ZINC000791974387 585992663 /nfs/dbraw/zinc/99/26/63/585992663.db2.gz DJZWXZVLFTXYDB-YNEHKIRRSA-N 0 0 240.391 3.538 20 0 BHADRN CC(C)CC(C)(C)C(=O)OCCCCCF ZINC000791991346 585992917 /nfs/dbraw/zinc/99/29/17/585992917.db2.gz COIFVXFVIZHTSB-UHFFFAOYSA-N 0 0 232.339 3.742 20 0 BHADRN CC(C(=O)OCCCCCF)=C1CCCC1 ZINC000791996212 585993192 /nfs/dbraw/zinc/99/31/92/585993192.db2.gz PFHSMBHFWZSIPB-UHFFFAOYSA-N 0 0 228.307 3.560 20 0 BHADRN CCC1(C(=O)OCCCCCF)CCCC1 ZINC000792015252 585993820 /nfs/dbraw/zinc/99/38/20/585993820.db2.gz FRBYBZFDLJHTSV-UHFFFAOYSA-N 0 0 230.323 3.640 20 0 BHADRN CC(C)CC1(C(=O)OCCCCCF)CCC1 ZINC000792016262 585993679 /nfs/dbraw/zinc/99/36/79/585993679.db2.gz MBSDMMQHMHQHHX-UHFFFAOYSA-N 0 0 244.350 3.886 20 0 BHADRN CCC(CC)(CC)C(=O)OCCCCCF ZINC000792020654 585993708 /nfs/dbraw/zinc/99/37/08/585993708.db2.gz NQHOCOXDPIQGKG-UHFFFAOYSA-N 0 0 232.339 3.886 20 0 BHADRN CCCC1(C(=O)OCCCCCF)CCC1 ZINC000792026118 585994043 /nfs/dbraw/zinc/99/40/43/585994043.db2.gz YVBFOAUORQDUNO-UHFFFAOYSA-N 0 0 230.323 3.640 20 0 BHADRN C/C=C(/C=C/C(=O)OCCCCCF)CC ZINC000792035869 585994263 /nfs/dbraw/zinc/99/42/63/585994263.db2.gz UOKYIVCEUUAKCN-FNAOXXECSA-N 0 0 228.307 3.582 20 0 BHADRN C/C=C(/C=C\C(=O)OCCCCCF)CC ZINC000792035870 585994295 /nfs/dbraw/zinc/99/42/95/585994295.db2.gz UOKYIVCEUUAKCN-MIFLFFNBSA-N 0 0 228.307 3.582 20 0 BHADRN CCCCCC(C)(C)C(=O)O[C@H](C)COCC ZINC000792037256 585994331 /nfs/dbraw/zinc/99/43/31/585994331.db2.gz IGLWJNVQWDTVEE-GFCCVEGCSA-N 0 0 244.375 3.561 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C(C)(C)C(F)F ZINC000792039367 585994477 /nfs/dbraw/zinc/99/44/77/585994477.db2.gz DAELYLJFFHAYHD-JTQLQIEISA-N 0 0 249.345 3.753 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C(C)(C)C(F)F ZINC000792039369 585994568 /nfs/dbraw/zinc/99/45/68/585994568.db2.gz DAELYLJFFHAYHD-SNVBAGLBSA-N 0 0 249.345 3.753 20 0 BHADRN CC(C)(C(=O)OCCCCCF)C1CCCC1 ZINC000792068874 585995513 /nfs/dbraw/zinc/99/55/13/585995513.db2.gz AOJURPQQJJXPEX-UHFFFAOYSA-N 0 0 244.350 3.886 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCCCCCF ZINC000792071768 585995365 /nfs/dbraw/zinc/99/53/65/585995365.db2.gz BLWCKLGLSDCXIH-LLVKDONJSA-N 0 0 232.339 3.742 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCCCCCF ZINC000792071771 585995324 /nfs/dbraw/zinc/99/53/24/585995324.db2.gz BLWCKLGLSDCXIH-NSHDSACASA-N 0 0 232.339 3.742 20 0 BHADRN CCC[C@@H](C(=O)OCCCCCF)C(C)C ZINC000792089118 585995725 /nfs/dbraw/zinc/99/57/25/585995725.db2.gz SQGGMNFAQBPARP-GFCCVEGCSA-N 0 0 232.339 3.742 20 0 BHADRN CCC[C@H](C(=O)OCCCCCF)C(C)C ZINC000792089120 585995605 /nfs/dbraw/zinc/99/56/05/585995605.db2.gz SQGGMNFAQBPARP-LBPRGKRZSA-N 0 0 232.339 3.742 20 0 BHADRN Cc1scc(C(=O)OCCCCCF)c1C ZINC000792089704 585995639 /nfs/dbraw/zinc/99/56/39/585995639.db2.gz PEAWATGSHZXAFB-UHFFFAOYSA-N 0 0 244.331 3.662 20 0 BHADRN O=C(OCCCCCF)C1=CCCCCC1 ZINC000792149696 585996770 /nfs/dbraw/zinc/99/67/70/585996770.db2.gz FEDRKBQCILMSJT-UHFFFAOYSA-N 0 0 228.307 3.560 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)OCCCCCF ZINC000792150684 585996651 /nfs/dbraw/zinc/99/66/51/585996651.db2.gz MUUYNPWHTDWSCV-KHPPLWFESA-N 0 0 230.323 3.662 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)OCCCCCF ZINC000792150685 585996711 /nfs/dbraw/zinc/99/67/11/585996711.db2.gz MUUYNPWHTDWSCV-ZHACJKMWSA-N 0 0 230.323 3.662 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)OCCCCCF ZINC000792151393 585996718 /nfs/dbraw/zinc/99/67/18/585996718.db2.gz QMDWPOIUKGKJEP-LLVKDONJSA-N 0 0 232.339 3.742 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)OCCCCCF ZINC000792151394 585996703 /nfs/dbraw/zinc/99/67/03/585996703.db2.gz QMDWPOIUKGKJEP-NSHDSACASA-N 0 0 232.339 3.742 20 0 BHADRN CC1(C(=O)OCCCCCF)CCCCC1 ZINC000792158292 644791504 /nfs/dbraw/zinc/79/15/04/644791504.db2.gz PNDLPZCJVDTPFO-UHFFFAOYSA-N 0 0 230.323 3.640 20 0 BHADRN c1cc(NCCC2CCCCC2)n(CC2CC2)n1 ZINC000792174121 644793214 /nfs/dbraw/zinc/79/32/14/644793214.db2.gz KLTNHIHKTHQQHA-UHFFFAOYSA-N 0 0 247.386 3.675 20 0 BHADRN Cn1ncc(NCCC2CCCCC2)c1C1CC1 ZINC000792175196 644794453 /nfs/dbraw/zinc/79/44/53/644794453.db2.gz OTEGFSRNNQOAGJ-UHFFFAOYSA-N 0 0 247.386 3.680 20 0 BHADRN c1cc(CN2CC3(CCC3)c3ccccc32)co1 ZINC000792183056 585997112 /nfs/dbraw/zinc/99/71/12/585997112.db2.gz MQMURZQFQRYVEU-UHFFFAOYSA-N 0 0 239.318 3.722 20 0 BHADRN C=Cc1ccc(C(=O)OCCCCCF)cc1 ZINC000792205098 585997785 /nfs/dbraw/zinc/99/77/85/585997785.db2.gz YJUUSXAOBYYHHA-UHFFFAOYSA-N 0 0 236.286 3.626 20 0 BHADRN Cc1ccnc(CN(C)c2ccc(C)c(C)c2)c1 ZINC000792206287 585998167 /nfs/dbraw/zinc/99/81/67/585998167.db2.gz JKXSCMYAGSCXHA-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN Cc1ccc(N(C)Cc2cc(C)ccn2)c(C)c1 ZINC000792208487 585998217 /nfs/dbraw/zinc/99/82/17/585998217.db2.gz NIPKXAVXXPHHDZ-UHFFFAOYSA-N 0 0 240.350 3.643 20 0 BHADRN CCN(Cc1cc(C)ccn1)c1ccc(C)cc1 ZINC000792248331 644796204 /nfs/dbraw/zinc/79/62/04/644796204.db2.gz UQPSQXNMVFLTSM-UHFFFAOYSA-N 0 0 240.350 3.725 20 0 BHADRN CCCC(C)(C)CC(=O)OCCCCCF ZINC000792256868 644796198 /nfs/dbraw/zinc/79/61/98/644796198.db2.gz ULRPFGROFHCOCI-UHFFFAOYSA-N 0 0 232.339 3.886 20 0 BHADRN CCC[C@@](C)(CC)C(=O)OCCCCCF ZINC000792282248 585998963 /nfs/dbraw/zinc/99/89/63/585998963.db2.gz QNRAUXSYMGDOLL-CYBMUJFWSA-N 0 0 232.339 3.886 20 0 BHADRN CCC[C@](C)(CC)C(=O)OCCCCCF ZINC000792282252 585999015 /nfs/dbraw/zinc/99/90/15/585999015.db2.gz QNRAUXSYMGDOLL-ZDUSSCGKSA-N 0 0 232.339 3.886 20 0 BHADRN CC(C)c1occc1C(=O)OCCCCCF ZINC000792283775 585999049 /nfs/dbraw/zinc/99/90/49/585999049.db2.gz YRERFYYVPDTANP-UHFFFAOYSA-N 0 0 242.290 3.700 20 0 BHADRN CCCc1occc1C(=O)OCCCCCF ZINC000792291276 585999295 /nfs/dbraw/zinc/99/92/95/585999295.db2.gz TXVUXJKHIQBCAD-UHFFFAOYSA-N 0 0 242.290 3.529 20 0 BHADRN C[C@H](OC(=O)CC(C)(C)C)c1ccc(F)cc1 ZINC000792452844 586000885 /nfs/dbraw/zinc/00/08/85/586000885.db2.gz OHQDQOUKXKMRHQ-JTQLQIEISA-N 0 0 238.302 3.866 20 0 BHADRN C[C@@H](OC(=O)CC(C)(C)C)c1ccc(F)cc1 ZINC000792452845 586000813 /nfs/dbraw/zinc/00/08/13/586000813.db2.gz OHQDQOUKXKMRHQ-SNVBAGLBSA-N 0 0 238.302 3.866 20 0 BHADRN CC(C)(C)CC(=O)OCc1ccc(Cl)s1 ZINC000792455956 586000761 /nfs/dbraw/zinc/00/07/61/586000761.db2.gz DMEIYXISRBUGDY-UHFFFAOYSA-N 0 0 246.759 3.881 20 0 BHADRN Cc1ccc(C)c(COC(=O)CC(C)(C)C)c1 ZINC000792465697 586000999 /nfs/dbraw/zinc/00/09/99/586000999.db2.gz MXRNCRGLSULVPM-UHFFFAOYSA-N 0 0 234.339 3.783 20 0 BHADRN CC(C)(C)CC(=O)OCc1cccc(Cl)c1 ZINC000792465827 586000909 /nfs/dbraw/zinc/00/09/09/586000909.db2.gz QPTAZTJEXACKPR-UHFFFAOYSA-N 0 0 240.730 3.819 20 0 BHADRN CC(C)(C)CC(=O)OC/C=C/c1ccccc1 ZINC000792466367 586000782 /nfs/dbraw/zinc/00/07/82/586000782.db2.gz WDCZJMXQUXBJND-JXMROGBWSA-N 0 0 232.323 3.679 20 0 BHADRN CC(C)(C)CC(=O)OC/C=C\c1ccccc1 ZINC000792466371 586000901 /nfs/dbraw/zinc/00/09/01/586000901.db2.gz WDCZJMXQUXBJND-YFHOEESVSA-N 0 0 232.323 3.679 20 0 BHADRN Cc1cc(C)cc(COC(=O)CC(C)(C)C)c1 ZINC000792470606 586000940 /nfs/dbraw/zinc/00/09/40/586000940.db2.gz YALAWCJVBLSCSR-UHFFFAOYSA-N 0 0 234.339 3.783 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1CC(C)(F)C1 ZINC000792520031 586001487 /nfs/dbraw/zinc/00/14/87/586001487.db2.gz BTSZGIIWCSNEQT-GFCCVEGCSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1CC(C)(F)C1 ZINC000792520032 586001422 /nfs/dbraw/zinc/00/14/22/586001422.db2.gz BTSZGIIWCSNEQT-LBPRGKRZSA-N 0 0 243.366 3.553 20 0 BHADRN CC[C@@H](C)CC(=O)Oc1ccc(Cl)cc1F ZINC000792522901 586001350 /nfs/dbraw/zinc/00/13/50/586001350.db2.gz KLGLOBKXXWEMRE-MRVPVSSYSA-N 0 0 244.693 3.821 20 0 BHADRN CC[C@H](C)CC(=O)Oc1ccc(Cl)cc1F ZINC000792522902 586001409 /nfs/dbraw/zinc/00/14/09/586001409.db2.gz KLGLOBKXXWEMRE-QMMMGPOBSA-N 0 0 244.693 3.821 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CC(C)(F)C1 ZINC000792522967 586001441 /nfs/dbraw/zinc/00/14/41/586001441.db2.gz JFAMCJOCJQZJKE-CYBMUJFWSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CC(C)(F)C1 ZINC000792522968 586001485 /nfs/dbraw/zinc/00/14/85/586001485.db2.gz JFAMCJOCJQZJKE-ZDUSSCGKSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)N1CC(C)(F)C1 ZINC000792523261 586001402 /nfs/dbraw/zinc/00/14/02/586001402.db2.gz NUBWJXMOKAYQBE-GFCCVEGCSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1CC(C)(F)C1 ZINC000792523262 586001302 /nfs/dbraw/zinc/00/13/02/586001302.db2.gz NUBWJXMOKAYQBE-LBPRGKRZSA-N 0 0 243.366 3.553 20 0 BHADRN CC[C@H](C)CC(=O)Oc1c(C)cccc1C ZINC000792526469 586001614 /nfs/dbraw/zinc/00/16/14/586001614.db2.gz RKTKJADJYVMGPN-JTQLQIEISA-N 0 0 220.312 3.645 20 0 BHADRN CC[C@@H](C)CC(=O)Oc1c(C)cccc1C ZINC000792526471 586001502 /nfs/dbraw/zinc/00/15/02/586001502.db2.gz RKTKJADJYVMGPN-SNVBAGLBSA-N 0 0 220.312 3.645 20 0 BHADRN CCCC(=CC(=O)N1[C@@H](C)C[C@@H]1C)CCC ZINC000792526889 586001586 /nfs/dbraw/zinc/00/15/86/586001586.db2.gz BLUMHOHWGGPFPA-RYUDHWBXSA-N 0 0 223.360 3.522 20 0 BHADRN CCCC(=CC(=O)N1[C@H](C)C[C@@H]1C)CCC ZINC000792526890 586001556 /nfs/dbraw/zinc/00/15/56/586001556.db2.gz BLUMHOHWGGPFPA-TXEJJXNPSA-N 0 0 223.360 3.522 20 0 BHADRN CCCC(=CC(=O)N1[C@H](C)C[C@H]1C)CCC ZINC000792526891 586001605 /nfs/dbraw/zinc/00/16/05/586001605.db2.gz BLUMHOHWGGPFPA-VXGBXAGGSA-N 0 0 223.360 3.522 20 0 BHADRN CC(C)Cc1ccccc1C(=O)N1[C@H](C)C[C@@H]1C ZINC000792528784 586001743 /nfs/dbraw/zinc/00/17/43/586001743.db2.gz NCDWPRPYFACFSW-BETUJISGSA-N 0 0 245.366 3.508 20 0 BHADRN CC(C)Cc1ccccc1C(=O)N1[C@H](C)C[C@H]1C ZINC000792528785 583528381 /nfs/dbraw/zinc/52/83/81/583528381.db2.gz NCDWPRPYFACFSW-CHWSQXEVSA-N 0 0 245.366 3.508 20 0 BHADRN CC(C)Cc1ccccc1C(=O)N1[C@@H](C)C[C@@H]1C ZINC000792528786 583528402 /nfs/dbraw/zinc/52/84/02/583528402.db2.gz NCDWPRPYFACFSW-STQMWFEESA-N 0 0 245.366 3.508 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1[C@@H](C)C[C@@H]1C ZINC000792528920 586001798 /nfs/dbraw/zinc/00/17/98/586001798.db2.gz NOAGPOZWLDOGML-AVGNSLFASA-N 0 0 225.376 3.602 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1[C@H](C)C[C@@H]1C ZINC000792528921 586001752 /nfs/dbraw/zinc/00/17/52/586001752.db2.gz NOAGPOZWLDOGML-RWMBFGLXSA-N 0 0 225.376 3.602 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1[C@H](C)C[C@@H]1C ZINC000792528922 586001805 /nfs/dbraw/zinc/00/18/05/586001805.db2.gz NOAGPOZWLDOGML-UPJWGTAASA-N 0 0 225.376 3.602 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1[C@H](C)C[C@H]1C ZINC000792528923 586001813 /nfs/dbraw/zinc/00/18/13/586001813.db2.gz NOAGPOZWLDOGML-YNEHKIRRSA-N 0 0 225.376 3.602 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1[C@H](C)C[C@@H]1C ZINC000792528988 586001715 /nfs/dbraw/zinc/00/17/15/586001715.db2.gz OOOKNAHVLOQSDX-GUTXKFCHSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1[C@H](C)C[C@H]1C ZINC000792528989 586001885 /nfs/dbraw/zinc/00/18/85/586001885.db2.gz OOOKNAHVLOQSDX-NFAWXSAZSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1[C@H](C)C[C@@H]1C ZINC000792528990 586001880 /nfs/dbraw/zinc/00/18/80/586001880.db2.gz OOOKNAHVLOQSDX-VNHYZAJKSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1[C@@H](C)C[C@@H]1C ZINC000792528991 586001818 /nfs/dbraw/zinc/00/18/18/586001818.db2.gz OOOKNAHVLOQSDX-YDHLFZDLSA-N 0 0 239.403 3.992 20 0 BHADRN CC(C)CCCCCC(=O)N1[C@H](C)C[C@@H]1C ZINC000792529177 586001918 /nfs/dbraw/zinc/00/19/18/586001918.db2.gz QCRFSNKHMZVBPA-BETUJISGSA-N 0 0 225.376 3.602 20 0 BHADRN CC(C)CCCCCC(=O)N1[C@H](C)C[C@H]1C ZINC000792529178 586001783 /nfs/dbraw/zinc/00/17/83/586001783.db2.gz QCRFSNKHMZVBPA-CHWSQXEVSA-N 0 0 225.376 3.602 20 0 BHADRN CC(C)CCCCCC(=O)N1[C@@H](C)C[C@@H]1C ZINC000792529179 586001345 /nfs/dbraw/zinc/00/13/45/586001345.db2.gz QCRFSNKHMZVBPA-STQMWFEESA-N 0 0 225.376 3.602 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1[C@H](C)C[C@H]1C ZINC000792529672 586001843 /nfs/dbraw/zinc/00/18/43/586001843.db2.gz RVSKJGJXKVJLHH-BFHYXJOUSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1[C@@H](C)C[C@@H]1C ZINC000792529674 586001824 /nfs/dbraw/zinc/00/18/24/586001824.db2.gz RVSKJGJXKVJLHH-IHRRRGAJSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)N1[C@H](C)C[C@@H]1C ZINC000792529675 586001766 /nfs/dbraw/zinc/00/17/66/586001766.db2.gz RVSKJGJXKVJLHH-MCIONIFRSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1[C@H](C)C[C@@H]1C ZINC000792529676 586001844 /nfs/dbraw/zinc/00/18/44/586001844.db2.gz RVSKJGJXKVJLHH-MELADBBJSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCC[C@@H](C(=O)N1[C@H](C)C[C@@H]1C)C(C)C ZINC000792529868 586001835 /nfs/dbraw/zinc/00/18/35/586001835.db2.gz SXJPSRIPSSLXJI-HZSPNIEDSA-N 0 0 239.403 3.848 20 0 BHADRN CCCCC[C@H](C(=O)N1[C@@H](C)C[C@@H]1C)C(C)C ZINC000792529870 586001759 /nfs/dbraw/zinc/00/17/59/586001759.db2.gz SXJPSRIPSSLXJI-IHRRRGAJSA-N 0 0 239.403 3.848 20 0 BHADRN CCCCC[C@H](C(=O)N1[C@H](C)C[C@H]1C)C(C)C ZINC000792529871 586001806 /nfs/dbraw/zinc/00/18/06/586001806.db2.gz SXJPSRIPSSLXJI-MCIONIFRSA-N 0 0 239.403 3.848 20 0 BHADRN CCCCC[C@H](C(=O)N1[C@H](C)C[C@@H]1C)C(C)C ZINC000792529873 586001748 /nfs/dbraw/zinc/00/17/48/586001748.db2.gz SXJPSRIPSSLXJI-MJBXVCDLSA-N 0 0 239.403 3.848 20 0 BHADRN CCCCCC(C)(C)C(=O)N1[C@@H](C)C[C@@H]1C ZINC000792529997 586001751 /nfs/dbraw/zinc/00/17/51/586001751.db2.gz UVIZQNIKHBOLPH-RYUDHWBXSA-N 0 0 225.376 3.602 20 0 BHADRN CCCCCC(C)(C)C(=O)N1[C@H](C)C[C@@H]1C ZINC000792529999 586001721 /nfs/dbraw/zinc/00/17/21/586001721.db2.gz UVIZQNIKHBOLPH-TXEJJXNPSA-N 0 0 225.376 3.602 20 0 BHADRN CCCCCC(C)(C)C(=O)N1[C@H](C)C[C@H]1C ZINC000792530002 586001747 /nfs/dbraw/zinc/00/17/47/586001747.db2.gz UVIZQNIKHBOLPH-VXGBXAGGSA-N 0 0 225.376 3.602 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1[C@H](C)C[C@@H]1C ZINC000792530121 586001833 /nfs/dbraw/zinc/00/18/33/586001833.db2.gz FLATUHXEBRZBNY-HZSPNIEDSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1[C@@H](C)C[C@@H]1C ZINC000792530122 586001802 /nfs/dbraw/zinc/00/18/02/586001802.db2.gz FLATUHXEBRZBNY-IHRRRGAJSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1[C@H](C)C[C@H]1C ZINC000792530123 586001915 /nfs/dbraw/zinc/00/19/15/586001915.db2.gz FLATUHXEBRZBNY-MCIONIFRSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1[C@H](C)C[C@@H]1C ZINC000792530124 586001870 /nfs/dbraw/zinc/00/18/70/586001870.db2.gz FLATUHXEBRZBNY-MJBXVCDLSA-N 0 0 239.403 3.992 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1[C@@H](C)C[C@@H]1C ZINC000792530776 586002119 /nfs/dbraw/zinc/00/21/19/586002119.db2.gz LSLLCFFGZIGOGK-AVGNSLFASA-N 0 0 225.376 3.602 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1[C@H](C)C[C@@H]1C ZINC000792530777 586001971 /nfs/dbraw/zinc/00/19/71/586001971.db2.gz LSLLCFFGZIGOGK-RWMBFGLXSA-N 0 0 225.376 3.602 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1[C@H](C)C[C@@H]1C ZINC000792530781 586002050 /nfs/dbraw/zinc/00/20/50/586002050.db2.gz LSLLCFFGZIGOGK-UPJWGTAASA-N 0 0 225.376 3.602 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1[C@H](C)C[C@H]1C ZINC000792530784 586001992 /nfs/dbraw/zinc/00/19/92/586001992.db2.gz LSLLCFFGZIGOGK-YNEHKIRRSA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2[C@@H](C)C[C@@H]2C)cc1 ZINC000792531800 586002126 /nfs/dbraw/zinc/00/21/26/586002126.db2.gz PWCATBLPLQITKZ-AVGNSLFASA-N 0 0 245.366 3.823 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2[C@H](C)C[C@@H]2C)cc1 ZINC000792531803 586002060 /nfs/dbraw/zinc/00/20/60/586002060.db2.gz PWCATBLPLQITKZ-RWMBFGLXSA-N 0 0 245.366 3.823 20 0 BHADRN CC[C@@H](C)c1ccc(C(=O)N2[C@H](C)C[C@@H]2C)cc1 ZINC000792531807 586001983 /nfs/dbraw/zinc/00/19/83/586001983.db2.gz PWCATBLPLQITKZ-UPJWGTAASA-N 0 0 245.366 3.823 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2[C@H](C)C[C@H]2C)cc1 ZINC000792531811 586002024 /nfs/dbraw/zinc/00/20/24/586002024.db2.gz PWCATBLPLQITKZ-YNEHKIRRSA-N 0 0 245.366 3.823 20 0 BHADRN C[C@H]1C[C@H](C)N1C(=O)C(C)(C)C1CCCCC1 ZINC000792533810 586002073 /nfs/dbraw/zinc/00/20/73/586002073.db2.gz MPKGIVSTZYDFNT-RYUDHWBXSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1C[C@H](C)N1C(=O)C(C)(C)C1CCCCC1 ZINC000792533811 586001967 /nfs/dbraw/zinc/00/19/67/586001967.db2.gz MPKGIVSTZYDFNT-TXEJJXNPSA-N 0 0 237.387 3.602 20 0 BHADRN C[C@@H]1C[C@@H](C)N1C(=O)C(C)(C)C1CCCCC1 ZINC000792533812 586002017 /nfs/dbraw/zinc/00/20/17/586002017.db2.gz MPKGIVSTZYDFNT-VXGBXAGGSA-N 0 0 237.387 3.602 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1[C@@H](C)C[C@@H]1C ZINC000792534511 586002268 /nfs/dbraw/zinc/00/22/68/586002268.db2.gz RTBFGCDRYPNUBA-AVGNSLFASA-N 0 0 225.376 3.602 20 0 BHADRN CC[C@H](C)CC(=O)Oc1ccc(C(C)=O)cc1C ZINC000792534622 586002175 /nfs/dbraw/zinc/00/21/75/586002175.db2.gz FJAGWYSVIJXBDY-JTQLQIEISA-N 0 0 248.322 3.539 20 0 BHADRN CC[C@@H](C)CC(=O)Oc1ccc(C(C)=O)cc1C ZINC000792534623 586002299 /nfs/dbraw/zinc/00/22/99/586002299.db2.gz FJAGWYSVIJXBDY-SNVBAGLBSA-N 0 0 248.322 3.539 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1[C@H](C)C[C@@H]1C ZINC000792534635 586002187 /nfs/dbraw/zinc/00/21/87/586002187.db2.gz RTBFGCDRYPNUBA-FRRDWIJNSA-N 0 0 225.376 3.602 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1[C@H](C)C[C@H]1C ZINC000792534636 586002312 /nfs/dbraw/zinc/00/23/12/586002312.db2.gz RTBFGCDRYPNUBA-UPJWGTAASA-N 0 0 225.376 3.602 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1[C@H](C)C[C@@H]1C ZINC000792534637 586002140 /nfs/dbraw/zinc/00/21/40/586002140.db2.gz RTBFGCDRYPNUBA-XQQFMLRXSA-N 0 0 225.376 3.602 20 0 BHADRN C[C@H]1C[C@H](C)N1C(=O)C=C1CCC(C)(C)CC1 ZINC000792535864 586002325 /nfs/dbraw/zinc/00/23/25/586002325.db2.gz WPOZEIONFYMARV-RYUDHWBXSA-N 0 0 235.371 3.522 20 0 BHADRN C[C@@H]1C[C@H](C)N1C(=O)C=C1CCC(C)(C)CC1 ZINC000792535865 586002290 /nfs/dbraw/zinc/00/22/90/586002290.db2.gz WPOZEIONFYMARV-TXEJJXNPSA-N 0 0 235.371 3.522 20 0 BHADRN C[C@@H]1C[C@@H](C)N1C(=O)C=C1CCC(C)(C)CC1 ZINC000792535867 586002159 /nfs/dbraw/zinc/00/21/59/586002159.db2.gz WPOZEIONFYMARV-VXGBXAGGSA-N 0 0 235.371 3.522 20 0 BHADRN CC(C)Cc1ccccc1C(=O)N(C)C1CCC1 ZINC000792541657 586002450 /nfs/dbraw/zinc/00/24/50/586002450.db2.gz QMFKYKVXHJVQFE-UHFFFAOYSA-N 0 0 245.366 3.510 20 0 BHADRN CC[C@@H](C)CC(=O)Oc1c(F)cccc1Cl ZINC000792545977 586002404 /nfs/dbraw/zinc/00/24/04/586002404.db2.gz RORRIBXEIYRVBY-MRVPVSSYSA-N 0 0 244.693 3.821 20 0 BHADRN CC[C@H](C)CC(=O)Oc1c(F)cccc1Cl ZINC000792545978 586002399 /nfs/dbraw/zinc/00/23/99/586002399.db2.gz RORRIBXEIYRVBY-QMMMGPOBSA-N 0 0 244.693 3.821 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC(C)(C)C(F)F ZINC000792593787 586003149 /nfs/dbraw/zinc/00/31/49/586003149.db2.gz KKNZEXZWUSKCGM-JTQLQIEISA-N 0 0 249.345 3.753 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC(C)(C)C(F)F ZINC000792593788 586003119 /nfs/dbraw/zinc/00/31/19/586003119.db2.gz KKNZEXZWUSKCGM-SNVBAGLBSA-N 0 0 249.345 3.753 20 0 BHADRN CCCC(=CC(=O)NC(C)(C)C(F)F)CCC ZINC000792593961 586003117 /nfs/dbraw/zinc/00/31/17/586003117.db2.gz GAIYPHSFGIQAED-UHFFFAOYSA-N 0 0 247.329 3.673 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC(C)(C)C(F)F ZINC000792593996 586003239 /nfs/dbraw/zinc/00/32/39/586003239.db2.gz GSYNPIRBPAGLLD-JTQLQIEISA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC(C)(C)C(F)F ZINC000792593998 586003188 /nfs/dbraw/zinc/00/31/88/586003188.db2.gz GSYNPIRBPAGLLD-SNVBAGLBSA-N 0 0 249.345 3.753 20 0 BHADRN CC(C)CCCCCC(=O)NC(C)(C)C(F)F ZINC000792594466 586003110 /nfs/dbraw/zinc/00/31/10/586003110.db2.gz LJUGCWFNCSWZKO-UHFFFAOYSA-N 0 0 249.345 3.753 20 0 BHADRN CC(C)(NC(=O)C1CCCCCCC1)C(F)F ZINC000792595069 586003272 /nfs/dbraw/zinc/00/32/72/586003272.db2.gz VPAKLMBNYAHNAF-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC(C)(C)C(F)F ZINC000792604398 644799310 /nfs/dbraw/zinc/79/93/10/644799310.db2.gz SSKAMPXTMOCBAW-JTQLQIEISA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC(C)(C)C(F)F ZINC000792604401 644799804 /nfs/dbraw/zinc/79/98/04/644799804.db2.gz SSKAMPXTMOCBAW-SNVBAGLBSA-N 0 0 249.345 3.753 20 0 BHADRN CC(C)c1ccoc1C(=O)O[C@@H]1C=CCCC1 ZINC000792614976 586003361 /nfs/dbraw/zinc/00/33/61/586003361.db2.gz JSZRGILHFAWYBX-LLVKDONJSA-N 0 0 234.295 3.669 20 0 BHADRN CC(C)c1ccoc1C(=O)O[C@H]1C=CCCC1 ZINC000792614977 586003277 /nfs/dbraw/zinc/00/32/77/586003277.db2.gz JSZRGILHFAWYBX-NSHDSACASA-N 0 0 234.295 3.669 20 0 BHADRN CC(C)c1ccoc1C(=O)OCCCCCF ZINC000792616382 586003327 /nfs/dbraw/zinc/00/33/27/586003327.db2.gz DLTOTYOVSWCBTR-UHFFFAOYSA-N 0 0 242.290 3.700 20 0 BHADRN CCOc1ccc(SCc2ccccn2)cc1 ZINC000792644985 586003524 /nfs/dbraw/zinc/00/35/24/586003524.db2.gz YKHKJYNYPUIUHZ-UHFFFAOYSA-N 0 0 245.347 3.773 20 0 BHADRN CC1(c2csc(Cc3ccccc3)n2)CC1 ZINC000792687947 586004047 /nfs/dbraw/zinc/00/40/47/586004047.db2.gz VDRSRFASNMCMDU-UHFFFAOYSA-N 0 0 229.348 3.785 20 0 BHADRN Cl/C=C\CSc1ncnc2ccsc21 ZINC000792712185 586004245 /nfs/dbraw/zinc/00/42/45/586004245.db2.gz QWAZGXMBSXXURR-IWQZZHSRSA-N 0 0 242.756 3.536 20 0 BHADRN CSCCOc1cccc2c(C)cc(C)nc12 ZINC000792734367 586004591 /nfs/dbraw/zinc/00/45/91/586004591.db2.gz AGCVELWZOBWLMG-UHFFFAOYSA-N 0 0 247.363 3.593 20 0 BHADRN Cc1coc(C)c1C(=O)O[C@H](C)c1ccccc1 ZINC000792759142 586004810 /nfs/dbraw/zinc/00/48/10/586004810.db2.gz VVVDLCKJLYOTRX-LLVKDONJSA-N 0 0 244.290 3.814 20 0 BHADRN Cc1coc(C)c1C(=O)O[C@@H](C)c1ccccc1 ZINC000792759143 586004622 /nfs/dbraw/zinc/00/46/22/586004622.db2.gz VVVDLCKJLYOTRX-NSHDSACASA-N 0 0 244.290 3.814 20 0 BHADRN O=C(CCC(F)F)Nc1ccc2ccccc2c1 ZINC000792759244 586004707 /nfs/dbraw/zinc/00/47/07/586004707.db2.gz ADPLIEMYJKHMMJ-UHFFFAOYSA-N 0 0 249.260 3.824 20 0 BHADRN CCCCCNC(=O)[C@H](F)CC1CCCCC1 ZINC000792765103 586004442 /nfs/dbraw/zinc/00/44/42/586004442.db2.gz ZAJRHYDJRNRQPG-CYBMUJFWSA-N 0 0 243.366 3.601 20 0 BHADRN CCCCCNC(=O)[C@@H](F)CC1CCCCC1 ZINC000792765105 586004575 /nfs/dbraw/zinc/00/45/75/586004575.db2.gz ZAJRHYDJRNRQPG-ZDUSSCGKSA-N 0 0 243.366 3.601 20 0 BHADRN CCC(CC)NC(=O)[C@H](F)CC1CCCCC1 ZINC000792779000 586005064 /nfs/dbraw/zinc/00/50/64/586005064.db2.gz YHMGQQYIRURTPB-CYBMUJFWSA-N 0 0 243.366 3.600 20 0 BHADRN CCC(CC)NC(=O)[C@@H](F)CC1CCCCC1 ZINC000792779001 586005202 /nfs/dbraw/zinc/00/52/02/586005202.db2.gz YHMGQQYIRURTPB-ZDUSSCGKSA-N 0 0 243.366 3.600 20 0 BHADRN CCCc1ccc(NC(=O)CCC(F)F)cc1 ZINC000792831813 586005714 /nfs/dbraw/zinc/00/57/14/586005714.db2.gz SAHSWUOQNDLPQH-UHFFFAOYSA-N 0 0 241.281 3.623 20 0 BHADRN FC1(CNc2ccc(N3CCCCC3)cc2)CC1 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586022559 /nfs/dbraw/zinc/02/25/59/586022559.db2.gz HNMANDLNTBMOLK-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc([C@@H](C)Nc2cccc(C)c2C)n(C)n1 ZINC000793548169 586022729 /nfs/dbraw/zinc/02/27/29/586022729.db2.gz TWCBUXJDRKQUNS-CYBMUJFWSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1cc([C@H](C)Nc2cccc(C)c2C)n(C)n1 ZINC000793548170 586022693 /nfs/dbraw/zinc/02/26/93/586022693.db2.gz TWCBUXJDRKQUNS-ZDUSSCGKSA-N 0 0 243.354 3.518 20 0 BHADRN Cc1cc([C@H](C)Nc2ccc(Cl)cc2)n(C)n1 ZINC000793549781 586022656 /nfs/dbraw/zinc/02/26/56/586022656.db2.gz RYDZGUCBMCHIBH-JTQLQIEISA-N 0 0 249.745 3.555 20 0 BHADRN Cc1cc([C@@H](C)Nc2ccc(Cl)cc2)n(C)n1 ZINC000793549787 586022801 /nfs/dbraw/zinc/02/28/01/586022801.db2.gz RYDZGUCBMCHIBH-SNVBAGLBSA-N 0 0 249.745 3.555 20 0 BHADRN CON(C)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000793573792 586023164 /nfs/dbraw/zinc/02/31/64/586023164.db2.gz STIZAJPNZFVIBR-UHFFFAOYSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C)C(CNc1cnn(C)c1C1CC1)C(C)C ZINC000793593338 586023874 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CCC[C@@](C)(CC)C(=O)NOC1CCCCC1 ZINC000793885266 586028422 /nfs/dbraw/zinc/02/84/22/586028422.db2.gz NLPPESMSHKKJKT-CQSZACIVSA-N 0 0 241.375 3.583 20 0 BHADRN CCCCCCSCc1cc(C)ncn1 ZINC000793952202 586029165 /nfs/dbraw/zinc/02/91/65/586029165.db2.gz NFZTXUHTULHRLN-UHFFFAOYSA-N 0 0 224.373 3.599 20 0 BHADRN CCCCCCSC[C@@H]1CCC[C@@H](O)C1 ZINC000793952216 586029189 /nfs/dbraw/zinc/02/91/89/586029189.db2.gz NSXUYIAFWXMXLT-CHWSQXEVSA-N 0 0 230.417 3.851 20 0 BHADRN CCCCCCSC[C@@H]1CCC[C@H](O)C1 ZINC000793952223 586029094 /nfs/dbraw/zinc/02/90/94/586029094.db2.gz NSXUYIAFWXMXLT-OLZOCXBDSA-N 0 0 230.417 3.851 20 0 BHADRN CCCCCCSC[C@H]1CCC[C@@H](O)C1 ZINC000793952229 586029254 /nfs/dbraw/zinc/02/92/54/586029254.db2.gz NSXUYIAFWXMXLT-QWHCGFSZSA-N 0 0 230.417 3.851 20 0 BHADRN CCCCCCSC[C@H]1CCC[C@H](O)C1 ZINC000793952231 586029050 /nfs/dbraw/zinc/02/90/50/586029050.db2.gz NSXUYIAFWXMXLT-STQMWFEESA-N 0 0 230.417 3.851 20 0 BHADRN C/C=C\COC(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC000794002214 586029987 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0 0 245.366 3.736 20 0 BHADRN CC/C=C(/C)C(=O)N(C)C(C)(C)c1ccccc1 ZINC000794420721 586039416 /nfs/dbraw/zinc/03/94/16/586039416.db2.gz WHLCJGMHERUKCM-RAXLEYEMSA-N 0 0 245.366 3.736 20 0 BHADRN C[C@@H](O)CCCS[C@H](C)c1cccs1 ZINC000794426806 586039434 /nfs/dbraw/zinc/03/94/34/586039434.db2.gz DFDNKNZUWXOLEC-NXEZZACHSA-N 0 0 230.398 3.703 20 0 BHADRN C[C@H](O)CCCS[C@@H](C)c1cccs1 ZINC000794426812 586039347 /nfs/dbraw/zinc/03/93/47/586039347.db2.gz DFDNKNZUWXOLEC-UWVGGRQHSA-N 0 0 230.398 3.703 20 0 BHADRN C[C@@H](SCCC[C@H](C)O)c1cccs1 ZINC000794426813 586039290 /nfs/dbraw/zinc/03/92/90/586039290.db2.gz DFDNKNZUWXOLEC-VHSXEESVSA-N 0 0 230.398 3.703 20 0 BHADRN C[C@@H](O)CCCS[C@@H](C)c1cccs1 ZINC000794426814 586039191 /nfs/dbraw/zinc/03/91/91/586039191.db2.gz DFDNKNZUWXOLEC-ZJUUUORDSA-N 0 0 230.398 3.703 20 0 BHADRN C[C@@H](SCC(=O)C1(C)CC1)c1cccs1 ZINC000794427579 586039326 /nfs/dbraw/zinc/03/93/26/586039326.db2.gz IDLNWLMXLPHZOU-SECBINFHSA-N 0 0 240.393 3.912 20 0 BHADRN C[C@H](SCC(=O)C1(C)CC1)c1cccs1 ZINC000794427580 586039317 /nfs/dbraw/zinc/03/93/17/586039317.db2.gz IDLNWLMXLPHZOU-VIFPVBQESA-N 0 0 240.393 3.912 20 0 BHADRN CCC(CC)(CC)SCc1ccnc(C)n1 ZINC000794440179 586039653 /nfs/dbraw/zinc/03/96/53/586039653.db2.gz BEOQNCVMEAEUAP-UHFFFAOYSA-N 0 0 238.400 3.987 20 0 BHADRN CC(C)(C)SCCSCC(=O)C1(C)CC1 ZINC000794440241 586039508 /nfs/dbraw/zinc/03/95/08/586039508.db2.gz BYSXQHQPMBPDKR-UHFFFAOYSA-N 0 0 246.441 3.621 20 0 BHADRN CCC(CC)(CC)SCCC[C@@H](C)O ZINC000794440401 586039521 /nfs/dbraw/zinc/03/95/21/586039521.db2.gz DENXFKDGGROPOK-LLVKDONJSA-N 0 0 218.406 3.849 20 0 BHADRN CCC(CC)(CC)SCCC[C@H](C)O ZINC000794440405 586039684 /nfs/dbraw/zinc/03/96/84/586039684.db2.gz DENXFKDGGROPOK-NSHDSACASA-N 0 0 218.406 3.849 20 0 BHADRN CC(C)C(C)(C)SCC(=O)C1(C)CC1 ZINC000794441778 586039753 /nfs/dbraw/zinc/03/97/53/586039753.db2.gz RHZBPDCOEUVTJL-UHFFFAOYSA-N 0 0 214.374 3.523 20 0 BHADRN CCC[C@H](CC)SCOC(=O)C(C)(C)C ZINC000794478467 586040389 /nfs/dbraw/zinc/04/03/89/586040389.db2.gz PHBAWGAMIUNMEA-JTQLQIEISA-N 0 0 232.389 3.845 20 0 BHADRN CCC[C@@H](CC)SCOC(=O)C(C)(C)C ZINC000794478468 586040288 /nfs/dbraw/zinc/04/02/88/586040288.db2.gz PHBAWGAMIUNMEA-SNVBAGLBSA-N 0 0 232.389 3.845 20 0 BHADRN CCC[C@@H](CC)SCCCCOC(C)=O ZINC000794479025 586040303 /nfs/dbraw/zinc/04/03/03/586040303.db2.gz UXTXVIWBWKXLQR-GFCCVEGCSA-N 0 0 232.389 3.642 20 0 BHADRN CCC[C@H](CC)SCCCCOC(C)=O ZINC000794479027 586040370 /nfs/dbraw/zinc/04/03/70/586040370.db2.gz UXTXVIWBWKXLQR-LBPRGKRZSA-N 0 0 232.389 3.642 20 0 BHADRN CCC[C@@H](CC)SCC(OCC)OCC ZINC000794483484 586040687 /nfs/dbraw/zinc/04/06/87/586040687.db2.gz AFZTVRDDCDIEQX-LLVKDONJSA-N 0 0 234.405 3.697 20 0 BHADRN CCC[C@H](CC)SCC(OCC)OCC ZINC000794483497 586040644 /nfs/dbraw/zinc/04/06/44/586040644.db2.gz AFZTVRDDCDIEQX-NSHDSACASA-N 0 0 234.405 3.697 20 0 BHADRN CCC[C@H](CC)SCc1cnc(Cl)cn1 ZINC000794484980 586040603 /nfs/dbraw/zinc/04/06/03/586040603.db2.gz ZDERGJBLUKGZIV-JTQLQIEISA-N 0 0 244.791 3.942 20 0 BHADRN CCC[C@@H](CC)SCc1cnc(Cl)cn1 ZINC000794484983 586040538 /nfs/dbraw/zinc/04/05/38/586040538.db2.gz ZDERGJBLUKGZIV-SNVBAGLBSA-N 0 0 244.791 3.942 20 0 BHADRN CCC[C@@H](CC)SCCCCCCO ZINC000794485465 586040643 /nfs/dbraw/zinc/04/06/43/586040643.db2.gz JBRRBNGKSZQYHH-GFCCVEGCSA-N 0 0 218.406 3.851 20 0 BHADRN CCC[C@H](CC)SCCCCCCO ZINC000794485469 586040554 /nfs/dbraw/zinc/04/05/54/586040554.db2.gz JBRRBNGKSZQYHH-LBPRGKRZSA-N 0 0 218.406 3.851 20 0 BHADRN CCC[C@@H](CC)SCc1ncc(Cl)n1C ZINC000794486991 586040615 /nfs/dbraw/zinc/04/06/15/586040615.db2.gz VCSFBKLLTQDEPW-SECBINFHSA-N 0 0 246.807 3.885 20 0 BHADRN CCC[C@H](CC)SCc1ncc(Cl)n1C ZINC000794486997 586040632 /nfs/dbraw/zinc/04/06/32/586040632.db2.gz VCSFBKLLTQDEPW-VIFPVBQESA-N 0 0 246.807 3.885 20 0 BHADRN CCCOC(=O)[C@@H](C)S[C@H](CC)CCC ZINC000794487037 586040619 /nfs/dbraw/zinc/04/06/19/586040619.db2.gz VQNKDXSISSPFDI-GHMZBOCLSA-N 0 0 232.389 3.640 20 0 BHADRN CCCOC(=O)[C@@H](C)S[C@@H](CC)CCC ZINC000794487038 586040604 /nfs/dbraw/zinc/04/06/04/586040604.db2.gz VQNKDXSISSPFDI-MNOVXSKESA-N 0 0 232.389 3.640 20 0 BHADRN CCCOC(=O)[C@H](C)S[C@@H](CC)CCC ZINC000794487039 586040499 /nfs/dbraw/zinc/04/04/99/586040499.db2.gz VQNKDXSISSPFDI-QWRGUYRKSA-N 0 0 232.389 3.640 20 0 BHADRN CCCOC(=O)[C@H](C)S[C@H](CC)CCC ZINC000794487040 586040492 /nfs/dbraw/zinc/04/04/92/586040492.db2.gz VQNKDXSISSPFDI-WDEREUQCSA-N 0 0 232.389 3.640 20 0 BHADRN CC(C)C(C)(C)SCC1CCC(=O)CC1 ZINC000794523095 586041944 /nfs/dbraw/zinc/04/19/44/586041944.db2.gz JHKARQSDKRJGSK-UHFFFAOYSA-N 0 0 228.401 3.914 20 0 BHADRN CC(C)(C)C(=O)CCSCCC(F)(F)F ZINC000794533904 586042397 /nfs/dbraw/zinc/04/23/97/586042397.db2.gz BNXQQOAIALHVGY-UHFFFAOYSA-N 0 0 242.306 3.677 20 0 BHADRN OCCCCCCCSCCC(F)(F)F ZINC000794538243 586042703 /nfs/dbraw/zinc/04/27/03/586042703.db2.gz OSWIORUOIFYRCV-UHFFFAOYSA-N 0 0 244.322 3.615 20 0 BHADRN CCCCCCN(C#N)c1ccc(OC)cc1 ZINC000794544761 586043378 /nfs/dbraw/zinc/04/33/78/586043378.db2.gz FHQWPWVSYQVQIR-UHFFFAOYSA-N 0 0 232.327 3.563 20 0 BHADRN C/C=C\COC(=O)c1ccc(C(C)C)cc1 ZINC000794561056 586044064 /nfs/dbraw/zinc/04/40/64/586044064.db2.gz JQULPRGWQUCGOI-PLNGDYQASA-N 0 0 218.296 3.543 20 0 BHADRN C/C=C/COC(=O)c1ccc(C(C)C)cc1 ZINC000794561060 586043975 /nfs/dbraw/zinc/04/39/75/586043975.db2.gz JQULPRGWQUCGOI-SNAWJCMRSA-N 0 0 218.296 3.543 20 0 BHADRN C/C=C\COC(=O)c1ccc2ccccc2c1 ZINC000794569001 586044224 /nfs/dbraw/zinc/04/42/24/586044224.db2.gz RRHSJYWYIRFIHF-IHWYPQMZSA-N 0 0 226.275 3.573 20 0 BHADRN C/C=C\COC(=O)c1cc(Cl)ccc1Cl ZINC000794594332 586045378 /nfs/dbraw/zinc/04/53/78/586045378.db2.gz OOJQULOPURHVOJ-IHWYPQMZSA-N 0 0 245.105 3.726 20 0 BHADRN C/C=C/COC(=O)c1cc(Cl)ccc1Cl ZINC000794594333 586045269 /nfs/dbraw/zinc/04/52/69/586045269.db2.gz OOJQULOPURHVOJ-NSCUHMNNSA-N 0 0 245.105 3.726 20 0 BHADRN C/C=C\COC(=O)c1cccc(Cl)c1Cl ZINC000794594848 586045484 /nfs/dbraw/zinc/04/54/84/586045484.db2.gz PPGZIWFYYGYRIG-IHWYPQMZSA-N 0 0 245.105 3.726 20 0 BHADRN C/C=C/COC(=O)c1cccc(Cl)c1Cl ZINC000794594849 586045397 /nfs/dbraw/zinc/04/53/97/586045397.db2.gz PPGZIWFYYGYRIG-NSCUHMNNSA-N 0 0 245.105 3.726 20 0 BHADRN C/C=C\COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000794602651 586045529 /nfs/dbraw/zinc/04/55/29/586045529.db2.gz XDVQGLWNRIBTIE-IHWYPQMZSA-N 0 0 245.105 3.726 20 0 BHADRN Cc1cccc(NC(=O)CCCOC(C)(C)C)c1 ZINC000794604527 586045587 /nfs/dbraw/zinc/04/55/87/586045587.db2.gz OCCKKEVDPYZXMS-UHFFFAOYSA-N 0 0 249.354 3.529 20 0 BHADRN Cc1ccccc1NC(=O)CCCOC(C)(C)C ZINC000794605854 586045575 /nfs/dbraw/zinc/04/55/75/586045575.db2.gz STCCVWQLSJJPCW-UHFFFAOYSA-N 0 0 249.354 3.529 20 0 BHADRN Cc1ccc(NC(=O)CCCOC(C)(C)C)cc1 ZINC000794605992 586045312 /nfs/dbraw/zinc/04/53/12/586045312.db2.gz VCMDVMMZPIIUND-UHFFFAOYSA-N 0 0 249.354 3.529 20 0 BHADRN Cc1cc2cccnc2c(-c2ccccn2)c1 ZINC000794670658 586046519 /nfs/dbraw/zinc/04/65/19/586046519.db2.gz BEQGINWDLCNMNV-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN CCC/C=C/C(=O)N[C@H]1CCCCC12CCCC2 ZINC000794670739 586046370 /nfs/dbraw/zinc/04/63/70/586046370.db2.gz NSGAGSRKKYSTIG-DEYRLNKFSA-N 0 0 249.398 3.962 20 0 BHADRN CCC/C=C\C(=O)N[C@H]1CCCCC12CCCC2 ZINC000794670741 586046377 /nfs/dbraw/zinc/04/63/77/586046377.db2.gz NSGAGSRKKYSTIG-IUZNHRGFSA-N 0 0 249.398 3.962 20 0 BHADRN CCC/C=C/C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000794670742 586046229 /nfs/dbraw/zinc/04/62/29/586046229.db2.gz NSGAGSRKKYSTIG-LZTOIUFZSA-N 0 0 249.398 3.962 20 0 BHADRN CCC/C=C\C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000794670745 586046359 /nfs/dbraw/zinc/04/63/59/586046359.db2.gz NSGAGSRKKYSTIG-PXTDYPQFSA-N 0 0 249.398 3.962 20 0 BHADRN Clc1ccc2c(c1)nccc2-c1ccccn1 ZINC000794670754 586046449 /nfs/dbraw/zinc/04/64/49/586046449.db2.gz CZZBDBXJEDKHCR-UHFFFAOYSA-N 0 0 240.693 3.950 20 0 BHADRN Fc1cccnc1-c1ccc(C(F)(F)F)cc1 ZINC000794670868 586046378 /nfs/dbraw/zinc/04/63/78/586046378.db2.gz GQIBSFGEYBJUMM-UHFFFAOYSA-N 0 0 241.187 3.907 20 0 BHADRN Cc1ccc(-c2ccccn2)c2cccnc12 ZINC000794670978 586046360 /nfs/dbraw/zinc/04/63/60/586046360.db2.gz IYABBXZMJAHJKE-UHFFFAOYSA-N 0 0 220.275 3.605 20 0 BHADRN c1cc2cc(-c3ccccn3)ccc2s1 ZINC000794671730 586046494 /nfs/dbraw/zinc/04/64/94/586046494.db2.gz QVHPLOKJHGOALC-UHFFFAOYSA-N 0 0 211.289 3.963 20 0 BHADRN CC1(C)CC(C(=O)NC2CCCCCCC2)C1 ZINC000794743143 586047917 /nfs/dbraw/zinc/04/79/17/586047917.db2.gz BTFFYIYCXCGRRU-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1csc2ncnc(NCCC3CCC3)c12 ZINC000794783685 586048703 /nfs/dbraw/zinc/04/87/03/586048703.db2.gz PJCWBSCXGMOKBP-UHFFFAOYSA-N 0 0 247.367 3.602 20 0 BHADRN CC1(C)CC(C(=O)Oc2ccccc2Cl)C1 ZINC000794834561 586049763 /nfs/dbraw/zinc/04/97/63/586049763.db2.gz BGYRSRFFJPLZEO-UHFFFAOYSA-N 0 0 238.714 3.682 20 0 BHADRN Cc1cc(C(=O)Oc2ccc(C)cc2)cs1 ZINC000794835333 586049608 /nfs/dbraw/zinc/04/96/08/586049608.db2.gz GDJRNRSHHGZWMT-UHFFFAOYSA-N 0 0 232.304 3.584 20 0 BHADRN CC1(C)CC(C(=O)Oc2ccc(Cl)cc2)C1 ZINC000794836730 586050182 /nfs/dbraw/zinc/05/01/82/586050182.db2.gz NWHIOLAONIUQKF-UHFFFAOYSA-N 0 0 238.714 3.682 20 0 BHADRN CC[C@H](C)CCC(=O)Oc1ccc(F)cc1 ZINC000794836973 586050382 /nfs/dbraw/zinc/05/03/82/586050382.db2.gz CHOZUSZHTPZPIZ-JTQLQIEISA-N 0 0 224.275 3.557 20 0 BHADRN CC[C@@H](C)CCC(=O)Oc1ccc(F)cc1 ZINC000794836979 586050304 /nfs/dbraw/zinc/05/03/04/586050304.db2.gz CHOZUSZHTPZPIZ-SNVBAGLBSA-N 0 0 224.275 3.557 20 0 BHADRN CC[C@H](C)CCC(=O)Oc1ccccc1F ZINC000794837310 586050172 /nfs/dbraw/zinc/05/01/72/586050172.db2.gz RIJXCICDLLRVRV-JTQLQIEISA-N 0 0 224.275 3.557 20 0 BHADRN CC[C@@H](C)CCC(=O)Oc1ccccc1F ZINC000794837312 586050522 /nfs/dbraw/zinc/05/05/22/586050522.db2.gz RIJXCICDLLRVRV-SNVBAGLBSA-N 0 0 224.275 3.557 20 0 BHADRN Cc1ccc(OC(=O)C2CC(C)(C)C2)c(C)c1 ZINC000794838335 586050414 /nfs/dbraw/zinc/05/04/14/586050414.db2.gz VZZNFAIVGAULJS-UHFFFAOYSA-N 0 0 232.323 3.645 20 0 BHADRN O=C(Oc1ccccc1)C(C1CCC1)C1CCC1 ZINC000794839677 586050502 /nfs/dbraw/zinc/05/05/02/586050502.db2.gz WWVJCSXKMQNENO-UHFFFAOYSA-N 0 0 244.334 3.808 20 0 BHADRN CC[C@H](C)CCC(=O)Oc1cccc(F)c1 ZINC000794841371 586050390 /nfs/dbraw/zinc/05/03/90/586050390.db2.gz SFOJXMCZUQAJAT-JTQLQIEISA-N 0 0 224.275 3.557 20 0 BHADRN CC[C@@H](C)CCC(=O)Oc1cccc(F)c1 ZINC000794841372 586050542 /nfs/dbraw/zinc/05/05/42/586050542.db2.gz SFOJXMCZUQAJAT-SNVBAGLBSA-N 0 0 224.275 3.557 20 0 BHADRN CC(C)c1occc1C(=O)N1CCCCCCC1 ZINC000794867716 586052478 /nfs/dbraw/zinc/05/24/78/586052478.db2.gz GTSCMTJJDWPIEH-UHFFFAOYSA-N 0 0 249.354 3.809 20 0 BHADRN CC[C@@H](C)CONC(=O)c1ccc(C(C)C)cc1 ZINC000794871828 586052476 /nfs/dbraw/zinc/05/24/76/586052476.db2.gz SUKLOJNBXATAKY-GFCCVEGCSA-N 0 0 249.354 3.518 20 0 BHADRN CC[C@H](C)CONC(=O)c1ccc(C(C)C)cc1 ZINC000794871829 586052365 /nfs/dbraw/zinc/05/23/65/586052365.db2.gz SUKLOJNBXATAKY-LBPRGKRZSA-N 0 0 249.354 3.518 20 0 BHADRN CCCC(=CC(=O)NCc1occc1C)CCC ZINC000794891003 586053264 /nfs/dbraw/zinc/05/32/64/586053264.db2.gz HCCOBTXZHDSBTJ-UHFFFAOYSA-N 0 0 249.354 3.731 20 0 BHADRN CCCCCCSCc1ccnc(C)n1 ZINC000794897991 586053777 /nfs/dbraw/zinc/05/37/77/586053777.db2.gz NDNJLFUTHBHKRN-UHFFFAOYSA-N 0 0 224.373 3.599 20 0 BHADRN CCN(CC(C)(C)C)C(=O)C(C)=C1CCCC1 ZINC000794911017 586054470 /nfs/dbraw/zinc/05/44/70/586054470.db2.gz PEUDJCZLBAWANL-UHFFFAOYSA-N 0 0 237.387 3.772 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000794917776 586054595 /nfs/dbraw/zinc/05/45/95/586054595.db2.gz YAROHJIFKPTXIX-GHMZBOCLSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H]1CCC(F)(F)C1 ZINC000794917778 586054714 /nfs/dbraw/zinc/05/47/14/586054714.db2.gz YAROHJIFKPTXIX-MNOVXSKESA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H]1CCC(F)(F)C1 ZINC000794917779 586054668 /nfs/dbraw/zinc/05/46/68/586054668.db2.gz YAROHJIFKPTXIX-QWRGUYRKSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000794917781 586054704 /nfs/dbraw/zinc/05/47/04/586054704.db2.gz YAROHJIFKPTXIX-WDEREUQCSA-N 0 0 247.329 3.507 20 0 BHADRN CC[C@@H](C)CCC(=O)N1CCCCCCC1 ZINC000794932885 586056309 /nfs/dbraw/zinc/05/63/09/586056309.db2.gz KEHPVEKGALLDJK-CYBMUJFWSA-N 0 0 225.376 3.605 20 0 BHADRN CC[C@H](C)CCC(=O)N1CCCCCCC1 ZINC000794932886 586056226 /nfs/dbraw/zinc/05/62/26/586056226.db2.gz KEHPVEKGALLDJK-ZDUSSCGKSA-N 0 0 225.376 3.605 20 0 BHADRN CCCCCCNC(=O)CC[C@H](C)CC ZINC000794962165 586057993 /nfs/dbraw/zinc/05/79/93/586057993.db2.gz LMXIWZVYKCTWFC-GFCCVEGCSA-N 0 0 213.365 3.509 20 0 BHADRN CCCCCCNC(=O)CC[C@@H](C)CC ZINC000794962169 586057924 /nfs/dbraw/zinc/05/79/24/586057924.db2.gz LMXIWZVYKCTWFC-LBPRGKRZSA-N 0 0 213.365 3.509 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C1CC(C)(C)C1 ZINC000794979197 644805761 /nfs/dbraw/zinc/80/57/61/644805761.db2.gz RLPZBISYJLUINN-GFCCVEGCSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C1CC(C)(C)C1 ZINC000794979198 644805177 /nfs/dbraw/zinc/80/51/77/644805177.db2.gz RLPZBISYJLUINN-LBPRGKRZSA-N 0 0 239.403 3.898 20 0 BHADRN CC[C@@H](C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000795020407 586065953 /nfs/dbraw/zinc/06/59/53/586065953.db2.gz FPLAOXWZSXDJHK-GFCCVEGCSA-N 0 0 248.370 3.517 20 0 BHADRN CC[C@H](C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000795020409 586065866 /nfs/dbraw/zinc/06/58/66/586065866.db2.gz FPLAOXWZSXDJHK-LBPRGKRZSA-N 0 0 248.370 3.517 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C1CC(C)(C)C1 ZINC000795035554 586066211 /nfs/dbraw/zinc/06/62/11/586066211.db2.gz GOWAYPFHEOIVCA-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)C1CC(C)(C)C1 ZINC000795035555 586066112 /nfs/dbraw/zinc/06/61/12/586066112.db2.gz GOWAYPFHEOIVCA-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)c1csc(C)c1 ZINC000795035964 586066312 /nfs/dbraw/zinc/06/63/12/586066312.db2.gz KYUYRHLCGWKFIN-JTQLQIEISA-N 0 0 239.384 3.755 20 0 BHADRN CCCCC[C@@H](C)NC(=O)c1csc(C)c1 ZINC000795035965 586066410 /nfs/dbraw/zinc/06/64/10/586066410.db2.gz KYUYRHLCGWKFIN-SNVBAGLBSA-N 0 0 239.384 3.755 20 0 BHADRN CCCCC[C@@H](C)NC(=O)CC[C@H](C)CC ZINC000795037741 586066450 /nfs/dbraw/zinc/06/64/50/586066450.db2.gz VSYBUXVHGRQJDO-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)CC[C@H](C)CC ZINC000795037743 586066109 /nfs/dbraw/zinc/06/61/09/586066109.db2.gz VSYBUXVHGRQJDO-OLZOCXBDSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@@H](C)NC(=O)CC[C@@H](C)CC ZINC000795037744 586066167 /nfs/dbraw/zinc/06/61/67/586066167.db2.gz VSYBUXVHGRQJDO-QWHCGFSZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)CC[C@@H](C)CC ZINC000795037746 586066246 /nfs/dbraw/zinc/06/62/46/586066246.db2.gz VSYBUXVHGRQJDO-STQMWFEESA-N 0 0 227.392 3.898 20 0 BHADRN CC(C)n1ccc(NCc2ccc(CF)cc2)n1 ZINC000795050028 586067207 /nfs/dbraw/zinc/06/72/07/586067207.db2.gz OMZRPZYRVXSBDU-UHFFFAOYSA-N 0 0 247.317 3.546 20 0 BHADRN CON(C)Cc1sc2ccccc2c1Cl ZINC000795067856 586067916 /nfs/dbraw/zinc/06/79/16/586067916.db2.gz XFDVXGPIQSPQFE-UHFFFAOYSA-N 0 0 241.743 3.548 20 0 BHADRN Cc1cccc2[nH]c(=NOCC(C)C)sc21 ZINC000795118953 586069050 /nfs/dbraw/zinc/06/90/50/586069050.db2.gz JZZDQHGIMRKBKM-UHFFFAOYSA-N 0 0 236.340 3.604 20 0 BHADRN CCN(C(=O)C1CC(C)(C)C1)c1ccc(C)cc1 ZINC000795143940 586069152 /nfs/dbraw/zinc/06/91/52/586069152.db2.gz NRNDNMJSOQIMOJ-UHFFFAOYSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1cc2c(ncnc2NCCC2(C)CC2)s1 ZINC000795175619 586070618 /nfs/dbraw/zinc/07/06/18/586070618.db2.gz DBGIITLRZYMRQK-UHFFFAOYSA-N 0 0 247.367 3.602 20 0 BHADRN CC(=O)c1c(F)cccc1NCCC1(C)CC1 ZINC000795178485 586070562 /nfs/dbraw/zinc/07/05/62/586070562.db2.gz UHLXTTLXNLGNPR-UHFFFAOYSA-N 0 0 235.302 3.630 20 0 BHADRN Cc1cc(Cl)cc(C)c1OC[C@H]1CCCO1 ZINC000795197733 586071126 /nfs/dbraw/zinc/07/11/26/586071126.db2.gz TVJVAFQALQIFNC-GFCCVEGCSA-N 0 0 240.730 3.515 20 0 BHADRN Cc1cc(Cl)cc(C)c1OC[C@@H]1CCCO1 ZINC000795197769 586071068 /nfs/dbraw/zinc/07/10/68/586071068.db2.gz TVJVAFQALQIFNC-LBPRGKRZSA-N 0 0 240.730 3.515 20 0 BHADRN Cc1ccc(OCCSCCCCF)cc1 ZINC000795201004 586071838 /nfs/dbraw/zinc/07/18/38/586071838.db2.gz OWNKXCRXXHEUOA-UHFFFAOYSA-N 0 0 242.359 3.857 20 0 BHADRN CCOc1ccc(SCCCCF)cc1 ZINC000795203585 586071797 /nfs/dbraw/zinc/07/17/97/586071797.db2.gz QSEHRITYTDFLJC-UHFFFAOYSA-N 0 0 228.332 3.927 20 0 BHADRN Cc1cc(Cl)cc(C=O)c1OCCCCF ZINC000795212578 586072174 /nfs/dbraw/zinc/07/21/74/586072174.db2.gz LRVFPHAVTQGULE-UHFFFAOYSA-N 0 0 244.693 3.589 20 0 BHADRN CC(=O)CS[C@@H]1CCc2cc(Cl)ccc21 ZINC000795222265 586072383 /nfs/dbraw/zinc/07/23/83/586072383.db2.gz HJNJSBJBCJZMCV-GFCCVEGCSA-N 0 0 240.755 3.650 20 0 BHADRN CC(=O)CS[C@H]1CCc2cc(Cl)ccc21 ZINC000795222267 586072476 /nfs/dbraw/zinc/07/24/76/586072476.db2.gz HJNJSBJBCJZMCV-LBPRGKRZSA-N 0 0 240.755 3.650 20 0 BHADRN COCCS[C@@H]1CCc2cc(Cl)ccc21 ZINC000795222379 586072352 /nfs/dbraw/zinc/07/23/52/586072352.db2.gz JIJRGHIULQYUAD-GFCCVEGCSA-N 0 0 242.771 3.707 20 0 BHADRN COCCS[C@H]1CCc2cc(Cl)ccc21 ZINC000795222380 586072552 /nfs/dbraw/zinc/07/25/52/586072552.db2.gz JIJRGHIULQYUAD-LBPRGKRZSA-N 0 0 242.771 3.707 20 0 BHADRN CCOC(=O)CC[C@@H](C)SC(C)(C)C(C)C ZINC000795229454 586072709 /nfs/dbraw/zinc/07/27/09/586072709.db2.gz AERSDOCCBNDQDB-LLVKDONJSA-N 0 0 246.416 3.886 20 0 BHADRN CCOC(=O)CC[C@H](C)SC(C)(C)C(C)C ZINC000795229490 586072965 /nfs/dbraw/zinc/07/29/65/586072965.db2.gz AERSDOCCBNDQDB-NSHDSACASA-N 0 0 246.416 3.886 20 0 BHADRN CCOC1CC(CSC(C)(C)C(C)C)C1 ZINC000795229607 586072641 /nfs/dbraw/zinc/07/26/41/586072641.db2.gz AYGSWNXPNOPPJN-UHFFFAOYSA-N 0 0 230.417 3.969 20 0 BHADRN CC(C)SCCOc1ccc2cc[nH]c2c1 ZINC000795229765 586072926 /nfs/dbraw/zinc/07/29/26/586072926.db2.gz CSPLQZTXJNVZOP-UHFFFAOYSA-N 0 0 235.352 3.688 20 0 BHADRN Fc1ccccc1COc1ccc2cc[nH]c2c1 ZINC000795230663 636143965 /nfs/dbraw/zinc/14/39/65/636143965.db2.gz LAQNSMYLLRQTFG-UHFFFAOYSA-N 0 0 241.265 3.886 20 0 BHADRN CCC(CC)(CC)SCc1cn[nH]c1 ZINC000795230916 586072905 /nfs/dbraw/zinc/07/29/05/586072905.db2.gz NFCHZPPBVITFOH-UHFFFAOYSA-N 0 0 212.362 3.612 20 0 BHADRN CCSCCSCc1ccncc1Cl ZINC000795231800 586073240 /nfs/dbraw/zinc/07/32/40/586073240.db2.gz VCMVZNGMQYDSDU-UHFFFAOYSA-N 0 0 247.816 3.721 20 0 BHADRN CC(C)(C)OCCCOc1ccc2cc[nH]c2c1 ZINC000795232632 586073401 /nfs/dbraw/zinc/07/34/01/586073401.db2.gz 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BHADRN c1cc2ccc(OCC[C@@H]3CCCCO3)cc2[nH]1 ZINC000795234836 586073213 /nfs/dbraw/zinc/07/32/13/586073213.db2.gz FOAVJIWKYXQTIU-ZDUSSCGKSA-N 0 0 245.322 3.506 20 0 BHADRN Cc1cnc(COc2ccc3cc[nH]c3c2)s1 ZINC000795235008 586073413 /nfs/dbraw/zinc/07/34/13/586073413.db2.gz JEMAKZWRVUAEPW-UHFFFAOYSA-N 0 0 244.319 3.512 20 0 BHADRN Fc1cccc(COc2ccc3cc[nH]c3c2)c1 ZINC000795235329 586073417 /nfs/dbraw/zinc/07/34/17/586073417.db2.gz MWSQPPZNOLWTMT-UHFFFAOYSA-N 0 0 241.265 3.886 20 0 BHADRN Cc1nc(COc2ccc3cc[nH]c3c2)cs1 ZINC000795235517 586073248 /nfs/dbraw/zinc/07/32/48/586073248.db2.gz CNGTWPBBRHHBTI-UHFFFAOYSA-N 0 0 244.319 3.512 20 0 BHADRN CC(C)CCOc1ccc2cc[nH]c2c1 ZINC000795236087 586073121 /nfs/dbraw/zinc/07/31/21/586073121.db2.gz VPZWMWHLIHGBRR-UHFFFAOYSA-N 0 0 203.285 3.593 20 0 BHADRN CC/C=C\CCOc1ccc2cc[nH]c2c1 ZINC000795236652 586073280 /nfs/dbraw/zinc/07/32/80/586073280.db2.gz KBTAYJUTFBCTNJ-ARJAWSKDSA-N 0 0 215.296 3.903 20 0 BHADRN CC/C=C/CCOc1ccc2cc[nH]c2c1 ZINC000795236653 586073046 /nfs/dbraw/zinc/07/30/46/586073046.db2.gz KBTAYJUTFBCTNJ-ONEGZZNKSA-N 0 0 215.296 3.903 20 0 BHADRN FCCCCCOc1ccc2cc[nH]c2c1 ZINC000795236688 586073104 /nfs/dbraw/zinc/07/31/04/586073104.db2.gz LETQOZYURHLZEF-UHFFFAOYSA-N 0 0 221.275 3.687 20 0 BHADRN Cl/C=C(/Cl)COc1ccc2cc[nH]c2c1 ZINC000795236703 586073013 /nfs/dbraw/zinc/07/30/13/586073013.db2.gz LOYQTBSATPZFPV-RMKNXTFCSA-N 0 0 242.105 3.866 20 0 BHADRN Cl/C=C(\Cl)COc1ccc2cc[nH]c2c1 ZINC000795236704 586073058 /nfs/dbraw/zinc/07/30/58/586073058.db2.gz LOYQTBSATPZFPV-TWGQIWQCSA-N 0 0 242.105 3.866 20 0 BHADRN c1cc2ccc(OCC3CCCC3)cc2[nH]1 ZINC000795237256 586073236 /nfs/dbraw/zinc/07/32/36/586073236.db2.gz OCDYOLOBARUNSL-UHFFFAOYSA-N 0 0 215.296 3.737 20 0 BHADRN CC[C@H](C)COc1ccc2cc[nH]c2c1 ZINC000795237742 586073101 /nfs/dbraw/zinc/07/31/01/586073101.db2.gz QZEKKKDXUMUGFO-JTQLQIEISA-N 0 0 203.285 3.593 20 0 BHADRN CC[C@@H](C)COc1ccc2cc[nH]c2c1 ZINC000795237743 586073211 /nfs/dbraw/zinc/07/32/11/586073211.db2.gz QZEKKKDXUMUGFO-SNVBAGLBSA-N 0 0 203.285 3.593 20 0 BHADRN CCCCCOc1ccc2cc[nH]c2c1 ZINC000795237747 586073258 /nfs/dbraw/zinc/07/32/58/586073258.db2.gz RDYYCBUDHAAUBM-UHFFFAOYSA-N 0 0 203.285 3.737 20 0 BHADRN Cc1csc(COc2ccc3cc[nH]c3c2)n1 ZINC000795237788 586073075 /nfs/dbraw/zinc/07/30/75/586073075.db2.gz SJWOSUKPOATOCU-UHFFFAOYSA-N 0 0 244.319 3.512 20 0 BHADRN c1cc2ccc(OCCc3ccccc3)cc2[nH]1 ZINC000795237937 586073266 /nfs/dbraw/zinc/07/32/66/586073266.db2.gz UYGZSSKQLXIATJ-UHFFFAOYSA-N 0 0 237.302 3.789 20 0 BHADRN CCOC1CC(CSC/C(C)=C/Cl)C1 ZINC000795237944 586073182 /nfs/dbraw/zinc/07/31/82/586073182.db2.gz UYNMPQOGONJTSP-RMKNXTFCSA-N 0 0 234.792 3.677 20 0 BHADRN CCOC1CC(CSC/C(C)=C\Cl)C1 ZINC000795237950 586073144 /nfs/dbraw/zinc/07/31/44/586073144.db2.gz UYNMPQOGONJTSP-TWGQIWQCSA-N 0 0 234.792 3.677 20 0 BHADRN Cc1ncc(COc2ccc3cc[nH]c3c2)s1 ZINC000795238634 586073188 /nfs/dbraw/zinc/07/31/88/586073188.db2.gz YILOMQVHYCCBCE-UHFFFAOYSA-N 0 0 244.319 3.512 20 0 BHADRN CC(=O)CCSc1cc(Cl)ccc1F ZINC000795244068 586073544 /nfs/dbraw/zinc/07/35/44/586073544.db2.gz WQZFOXFAPDRXBT-UHFFFAOYSA-N 0 0 232.707 3.550 20 0 BHADRN CCC(=O)CCSc1cc(Cl)ccc1F ZINC000795244872 586073817 /nfs/dbraw/zinc/07/38/17/586073817.db2.gz UPCZPVKCNQWMRE-UHFFFAOYSA-N 0 0 246.734 3.940 20 0 BHADRN CC(C)Oc1ccc(NCCCCF)c(F)c1 ZINC000795250215 586073765 /nfs/dbraw/zinc/07/37/65/586073765.db2.gz UIAOHVWUJFWELI-UHFFFAOYSA-N 0 0 243.297 3.775 20 0 BHADRN Cc1ccc(F)c(NCc2ncc(C(C)C)o2)c1 ZINC000795251582 586073538 /nfs/dbraw/zinc/07/35/38/586073538.db2.gz GVIJPMJKSODSCJ-UHFFFAOYSA-N 0 0 248.301 3.858 20 0 BHADRN CCC[C@@H](CC)Sc1cncc(Cl)n1 ZINC000795253153 586072514 /nfs/dbraw/zinc/07/25/14/586072514.db2.gz RLKGTTZLQNJFGW-MRVPVSSYSA-N 0 0 230.764 3.801 20 0 BHADRN CCC[C@H](CC)Sc1cncc(Cl)n1 ZINC000795253156 586072397 /nfs/dbraw/zinc/07/23/97/586072397.db2.gz RLKGTTZLQNJFGW-QMMMGPOBSA-N 0 0 230.764 3.801 20 0 BHADRN CCCc1ccc(NCC2CC(OCC)C2)cc1 ZINC000795254400 586073845 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CYTRUFCPUPYEST-UHFFFAOYSA-N 0 0 242.727 3.501 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)OC1(C2CC2)CC1 ZINC000797086434 586119950 /nfs/dbraw/zinc/11/99/50/586119950.db2.gz NRBASWIYSARZNE-UHFFFAOYSA-N 0 0 248.322 3.811 20 0 BHADRN CC(C)[C@@H]1C[C@@H](OC(=O)C2CC2)c2ccccc21 ZINC000797097662 586120167 /nfs/dbraw/zinc/12/01/67/586120167.db2.gz AZMFQYPPTHCJLR-LSDHHAIUSA-N 0 0 244.334 3.824 20 0 BHADRN O=C(NCCC1CCC1)C(C1CCC1)C1CCC1 ZINC000797099799 586120082 /nfs/dbraw/zinc/12/00/82/586120082.db2.gz OWWSHPCVQDUIOH-UHFFFAOYSA-N 0 0 249.398 3.509 20 0 BHADRN CCC(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000797100355 586120384 /nfs/dbraw/zinc/12/03/84/586120384.db2.gz UHLWHTNIZYZBOA-UONOGXRCSA-N 0 0 232.323 3.824 20 0 BHADRN Cc1oc(C(C)C)cc1C(=O)NCCC1CCC1 ZINC000797101849 586120275 /nfs/dbraw/zinc/12/02/75/586120275.db2.gz ZPLBLCUPHOOSIB-UHFFFAOYSA-N 0 0 249.354 3.631 20 0 BHADRN CCC1(C(=O)OCC(C2CC2)C2CC2)CCC1 ZINC000797108327 644817444 /nfs/dbraw/zinc/81/74/44/644817444.db2.gz QSTKJHBEUDPNSK-UHFFFAOYSA-N 0 0 236.355 3.546 20 0 BHADRN O=C(OCC(C1CC1)C1CC1)C12CCC(CC1)C2 ZINC000797108674 644817373 /nfs/dbraw/zinc/81/73/73/644817373.db2.gz WFLXAUASZDWWOW-UHFFFAOYSA-N 0 0 248.366 3.546 20 0 BHADRN CCCC1(C(=O)OCC(C2CC2)C2CC2)CC1 ZINC000797112125 586120659 /nfs/dbraw/zinc/12/06/59/586120659.db2.gz ZSXSKEUNCCLAHY-UHFFFAOYSA-N 0 0 236.355 3.546 20 0 BHADRN CC1(OC(=O)c2sccc2Cl)CCC1 ZINC000797113418 586120475 /nfs/dbraw/zinc/12/04/75/586120475.db2.gz BJPQOHBOBTYANB-UHFFFAOYSA-N 0 0 230.716 3.501 20 0 BHADRN Cc1ccc(COC(=O)C2CC(C)(C)C2)s1 ZINC000797123989 586120491 /nfs/dbraw/zinc/12/04/91/586120491.db2.gz IZXSOUQJFRGPDK-UHFFFAOYSA-N 0 0 238.352 3.536 20 0 BHADRN Cc1cc(C(=O)OC2(C)CCCC2)cs1 ZINC000797133121 586120848 /nfs/dbraw/zinc/12/08/48/586120848.db2.gz OWLGMOWYCKSMKA-UHFFFAOYSA-N 0 0 224.325 3.546 20 0 BHADRN CC1(OC(=O)[C@@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000797134021 586121031 /nfs/dbraw/zinc/12/10/31/586121031.db2.gz SFEGAWPXLHLLHN-UONOGXRCSA-N 0 0 244.334 3.666 20 0 BHADRN CC1(OC(=O)c2sccc2Cl)CCCC1 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VISSJVAYWPYANN-NOXAFNRCSA-N 0 0 237.387 3.531 20 0 BHADRN CC/C=C(/C)C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000797359588 586126070 /nfs/dbraw/zinc/12/60/70/586126070.db2.gz VISSJVAYWPYANN-RBQXMYPSSA-N 0 0 237.387 3.531 20 0 BHADRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)OC1CCCC1 ZINC000797400762 586126299 /nfs/dbraw/zinc/12/62/99/586126299.db2.gz OLYDEXKUZABQOF-CQDKDKBSSA-N 0 0 244.334 3.522 20 0 BHADRN C[C@@H]1[C@H](C(=O)OC2CCCC2)[C@H]1c1ccccc1 ZINC000797400763 586126445 /nfs/dbraw/zinc/12/64/45/586126445.db2.gz OLYDEXKUZABQOF-GLQYFDAESA-N 0 0 244.334 3.522 20 0 BHADRN C[C@@H]1[C@@H](C(=O)OC2CCCC2)[C@H]1c1ccccc1 ZINC000797400764 586126242 /nfs/dbraw/zinc/12/62/42/586126242.db2.gz OLYDEXKUZABQOF-NILFDRSVSA-N 0 0 244.334 3.522 20 0 BHADRN C[C@@H]1[C@@H](C(=O)OC2CCCC2)[C@@H]1c1ccccc1 ZINC000797400765 586126434 /nfs/dbraw/zinc/12/64/34/586126434.db2.gz OLYDEXKUZABQOF-TUKIKUTGSA-N 0 0 244.334 3.522 20 0 BHADRN CCc1occc1C(=O)NC1CCCCCCC1 ZINC000797403121 586126265 /nfs/dbraw/zinc/12/62/65/586126265.db2.gz ALYOSAUPLMXWGV-UHFFFAOYSA-N 0 0 249.354 3.685 20 0 BHADRN CCCCC[C@@H](C)NC(=O)c1ccoc1CC ZINC000797404706 586126679 /nfs/dbraw/zinc/12/66/79/586126679.db2.gz NRVBNEPRBOBXCO-LLVKDONJSA-N 0 0 237.343 3.541 20 0 BHADRN CCCCC[C@H](C)NC(=O)c1ccoc1CC ZINC000797404707 586126587 /nfs/dbraw/zinc/12/65/87/586126587.db2.gz NRVBNEPRBOBXCO-NSHDSACASA-N 0 0 237.343 3.541 20 0 BHADRN CCc1occc1C(=O)O[C@H](C)c1ccccc1 ZINC000797416832 586126465 /nfs/dbraw/zinc/12/64/65/586126465.db2.gz KTUJFDCSPVWDPC-LLVKDONJSA-N 0 0 244.290 3.760 20 0 BHADRN CCc1occc1C(=O)O[C@@H](C)c1ccccc1 ZINC000797416837 586126488 /nfs/dbraw/zinc/12/64/88/586126488.db2.gz KTUJFDCSPVWDPC-NSHDSACASA-N 0 0 244.290 3.760 20 0 BHADRN CCCCN(CCCC)C(=O)N(C)CC(C)C ZINC000797442367 586127126 /nfs/dbraw/zinc/12/71/26/586127126.db2.gz ZDJAVLGFGCQTQX-UHFFFAOYSA-N 0 0 242.407 3.596 20 0 BHADRN CCCCCN(C(=O)N(C)CC(C)C)C(C)C ZINC000797442577 636341994 /nfs/dbraw/zinc/34/19/94/636341994.db2.gz DGHTZECTYKOEHH-UHFFFAOYSA-N 0 0 242.407 3.595 20 0 BHADRN CC(C)(C)CC(=O)OCc1cc2ccccc2o1 ZINC000797451810 586127332 /nfs/dbraw/zinc/12/73/32/586127332.db2.gz QIWRHBAHIGFFCC-UHFFFAOYSA-N 0 0 246.306 3.912 20 0 BHADRN CCc1occc1C(=O)Oc1cccc(C)c1F ZINC000797477829 712425449 /nfs/dbraw/zinc/42/54/49/712425449.db2.gz AFGAGQCQFJQWIW-UHFFFAOYSA-N 0 0 248.253 3.509 20 0 BHADRN C[C@@H]1[C@@H](C(=O)OC2(C)CCC2)[C@@H]1c1ccccc1 ZINC000797556672 586128259 /nfs/dbraw/zinc/12/82/59/586128259.db2.gz KGCPXTQQZJMBKD-FPMFFAJLSA-N 0 0 244.334 3.522 20 0 BHADRN C[C@@H]1[C@@H](C(=O)OC2(C)CCC2)[C@H]1c1ccccc1 ZINC000797556674 586128416 /nfs/dbraw/zinc/12/84/16/586128416.db2.gz KGCPXTQQZJMBKD-IACUBPJLSA-N 0 0 244.334 3.522 20 0 BHADRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)OC1(C)CCC1 ZINC000797556676 586128317 /nfs/dbraw/zinc/12/83/17/586128317.db2.gz KGCPXTQQZJMBKD-UBHSHLNASA-N 0 0 244.334 3.522 20 0 BHADRN C[C@@H]1[C@H](C(=O)OC2(C)CCC2)[C@H]1c1ccccc1 ZINC000797556677 586128295 /nfs/dbraw/zinc/12/82/95/586128295.db2.gz KGCPXTQQZJMBKD-YUTCNCBUSA-N 0 0 244.334 3.522 20 0 BHADRN CCCCCCC(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000797558934 586128588 /nfs/dbraw/zinc/12/85/88/586128588.db2.gz VOZZZZSYSLTIMQ-LLVKDONJSA-N 0 0 247.329 3.508 20 0 BHADRN CCCCCCC(=O)NC[C@H]1CCC(F)(F)C1 ZINC000797558935 586128698 /nfs/dbraw/zinc/12/86/98/586128698.db2.gz VOZZZZSYSLTIMQ-NSHDSACASA-N 0 0 247.329 3.508 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797577467 586128869 /nfs/dbraw/zinc/12/88/69/586128869.db2.gz CKMIXZACSOROMD-FPMFFAJLSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797577468 586128815 /nfs/dbraw/zinc/12/88/15/586128815.db2.gz CKMIXZACSOROMD-KWCYVHTRSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)(C(=O)N[C@@H]1C[C@H]1C1CC1)C1CCCCC1 ZINC000797577484 586128819 /nfs/dbraw/zinc/12/88/19/586128819.db2.gz DEFZNGSWOSGLLO-UONOGXRCSA-N 0 0 249.398 3.508 20 0 BHADRN CCCCCC(C)(C)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797577508 586128885 /nfs/dbraw/zinc/12/88/85/586128885.db2.gz DPUCPOXJILAOEW-QWHCGFSZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCCCCC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797578107 586128958 /nfs/dbraw/zinc/12/89/58/586128958.db2.gz WGYBVSHMHHSMNX-UONOGXRCSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797578388 586128862 /nfs/dbraw/zinc/12/88/62/586128862.db2.gz RSTXKNLUOVFPBP-FPMFFAJLSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797578389 586128937 /nfs/dbraw/zinc/12/89/37/586128937.db2.gz RSTXKNLUOVFPBP-KWCYVHTRSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797578413 586128906 /nfs/dbraw/zinc/12/89/06/586128906.db2.gz SSOTXBIORLILDE-FPMFFAJLSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797578414 586128903 /nfs/dbraw/zinc/12/89/03/586128903.db2.gz SSOTXBIORLILDE-KWCYVHTRSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)C(=O)OCc1c(Cl)cccc1Cl ZINC000797588663 586129566 /nfs/dbraw/zinc/12/95/66/586129566.db2.gz BMOXSMOMWGLWLT-UHFFFAOYSA-N 0 0 247.121 3.693 20 0 BHADRN Cc1csc(SCCOC2CCCC2)n1 ZINC000797613135 586129624 /nfs/dbraw/zinc/12/96/24/586129624.db2.gz GJHGYIVPUFREQI-UHFFFAOYSA-N 0 0 243.397 3.503 20 0 BHADRN CCCCC(=O)O[C@@H](C)c1ccc(F)cc1 ZINC000797642449 586129736 /nfs/dbraw/zinc/12/97/36/586129736.db2.gz HKLVODRJXBUIML-JTQLQIEISA-N 0 0 224.275 3.620 20 0 BHADRN CCCCC(=O)O[C@H](C)c1ccc(F)cc1 ZINC000797642451 586129775 /nfs/dbraw/zinc/12/97/75/586129775.db2.gz HKLVODRJXBUIML-SNVBAGLBSA-N 0 0 224.275 3.620 20 0 BHADRN CCCCC(=O)OCc1ccc(Cl)s1 ZINC000797646002 586129853 /nfs/dbraw/zinc/12/98/53/586129853.db2.gz ZXFNLEWYDQHZAO-UHFFFAOYSA-N 0 0 232.732 3.635 20 0 BHADRN CCCCC(=O)OCc1ccc(F)cc1Cl ZINC000797646299 586129939 /nfs/dbraw/zinc/12/99/39/586129939.db2.gz VSNLXPBIXVYAGR-UHFFFAOYSA-N 0 0 244.693 3.713 20 0 BHADRN CCCCC(=O)OCc1c(F)cccc1Cl ZINC000797647308 586129884 /nfs/dbraw/zinc/12/98/84/586129884.db2.gz AYJSVCYLCPBTGJ-UHFFFAOYSA-N 0 0 244.693 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C/C(=C/Cl)CSCc1cc(C)ccn1 ZINC000797812013 586131888 /nfs/dbraw/zinc/13/18/88/586131888.db2.gz FSQCHMNQUKTMAZ-POHAHGRESA-N 0 0 227.760 3.766 20 0 BHADRN C/C(=C\Cl)CSCc1cc(C)ccn1 ZINC000797812014 586131869 /nfs/dbraw/zinc/13/18/69/586131869.db2.gz FSQCHMNQUKTMAZ-UXBLZVDNSA-N 0 0 227.760 3.766 20 0 BHADRN C/C(=C\Cl)CSCc1nnc(C(C)C)o1 ZINC000797812064 586132038 /nfs/dbraw/zinc/13/20/38/586132038.db2.gz GGDMTRDQAYBRJK-XBXARRHUSA-N 0 0 246.763 3.569 20 0 BHADRN C/C(=C/Cl)CSCc1nnc(C(C)C)o1 ZINC000797812066 586131917 /nfs/dbraw/zinc/13/19/17/586131917.db2.gz GGDMTRDQAYBRJK-YWEYNIOJSA-N 0 0 246.763 3.569 20 0 BHADRN C/C(=C/Cl)CSCc1nc(C)c(C)o1 ZINC000797812639 586132046 /nfs/dbraw/zinc/13/20/46/586132046.db2.gz XONYLEOLYKVWMQ-DAXSKMNVSA-N 0 0 231.748 3.667 20 0 BHADRN C/C(=C\Cl)CSCc1nc(C)c(C)o1 ZINC000797812640 586131971 /nfs/dbraw/zinc/13/19/71/586131971.db2.gz XONYLEOLYKVWMQ-QPJJXVBHSA-N 0 0 231.748 3.667 20 0 BHADRN C/C(=C\Cl)CS[C@H](C)c1ncc(C)o1 ZINC000797812812 586132096 /nfs/dbraw/zinc/13/20/96/586132096.db2.gz OJNBJGXMFHXDMU-ILFKPUCNSA-N 0 0 231.748 3.920 20 0 BHADRN C/C(=C\Cl)CS[C@@H](C)c1ncc(C)o1 ZINC000797812813 586132264 /nfs/dbraw/zinc/13/22/64/586132264.db2.gz OJNBJGXMFHXDMU-IYNCYZAOSA-N 0 0 231.748 3.920 20 0 BHADRN C/C(=C/Cl)CS[C@H](C)c1ncc(C)o1 ZINC000797812814 586132260 /nfs/dbraw/zinc/13/22/60/586132260.db2.gz OJNBJGXMFHXDMU-WQAKUFEDSA-N 0 0 231.748 3.920 20 0 BHADRN C/C(=C/Cl)CS[C@@H](C)c1ncc(C)o1 ZINC000797812815 586132267 /nfs/dbraw/zinc/13/22/67/586132267.db2.gz OJNBJGXMFHXDMU-WYDVEAGSSA-N 0 0 231.748 3.920 20 0 BHADRN C/C(=C\Cl)CSCCc1scnc1C ZINC000797813057 586132216 /nfs/dbraw/zinc/13/22/16/586132216.db2.gz UKCZOVHEBQVFPI-VMPITWQZSA-N 0 0 247.816 3.870 20 0 BHADRN C/C(=C/Cl)CSCCc1scnc1C ZINC000797813058 586132155 /nfs/dbraw/zinc/13/21/55/586132155.db2.gz UKCZOVHEBQVFPI-YVMONPNESA-N 0 0 247.816 3.870 20 0 BHADRN COC1(CSC/C(C)=C/Cl)CCCC1 ZINC000797813507 586132153 /nfs/dbraw/zinc/13/21/53/586132153.db2.gz FVRMVNNCZSCYMM-JXMROGBWSA-N 0 0 234.792 3.821 20 0 BHADRN COC1(CSC/C(C)=C\Cl)CCCC1 ZINC000797813508 586132275 /nfs/dbraw/zinc/13/22/75/586132275.db2.gz FVRMVNNCZSCYMM-YFHOEESVSA-N 0 0 234.792 3.821 20 0 BHADRN C/C(=C\Cl)CSCc1cnc(Cl)cn1 ZINC000797813561 586132159 /nfs/dbraw/zinc/13/21/59/586132159.db2.gz HCCBLYFXMFBJCE-FARCUNLSSA-N 0 0 249.166 3.506 20 0 BHADRN C/C(=C/Cl)CSCc1cnc(Cl)cn1 ZINC000797813562 586132303 /nfs/dbraw/zinc/13/23/03/586132303.db2.gz HCCBLYFXMFBJCE-UQCOIBPSSA-N 0 0 249.166 3.506 20 0 BHADRN C/C(=C\Cl)CSCc1cncc(C)c1 ZINC000797813745 636392181 /nfs/dbraw/zinc/39/21/81/636392181.db2.gz LONIUAUWFMUHDT-ONNFQVAWSA-N 0 0 227.760 3.766 20 0 BHADRN C/C(=C/Cl)CSCc1cncc(C)c1 ZINC000797813746 636392006 /nfs/dbraw/zinc/39/20/06/636392006.db2.gz LONIUAUWFMUHDT-WMZJFQQLSA-N 0 0 227.760 3.766 20 0 BHADRN C/C(=C\Cl)CSCc1cnoc1C1CC1 ZINC000797813749 586132280 /nfs/dbraw/zinc/13/22/80/586132280.db2.gz LSBBQIIDISKIIO-XBXARRHUSA-N 0 0 243.759 3.928 20 0 BHADRN C/C(=C/Cl)CSCc1cnoc1C1CC1 ZINC000797813750 586132220 /nfs/dbraw/zinc/13/22/20/586132220.db2.gz LSBBQIIDISKIIO-YWEYNIOJSA-N 0 0 243.759 3.928 20 0 BHADRN C/C(=C/Cl)CSCc1cnccc1C ZINC000797813977 586132137 /nfs/dbraw/zinc/13/21/37/586132137.db2.gz PWCDJUPMMRPNTH-UITAMQMPSA-N 0 0 227.760 3.766 20 0 BHADRN C/C(=C\Cl)CSCc1cnccc1C ZINC000797813978 586132203 /nfs/dbraw/zinc/13/22/03/586132203.db2.gz PWCDJUPMMRPNTH-WEVVVXLNSA-N 0 0 227.760 3.766 20 0 BHADRN C/C(=C\Cl)CSCc1nc(C(C)C)no1 ZINC000797814252 586132227 /nfs/dbraw/zinc/13/22/27/586132227.db2.gz XNMISHSQESKHOY-XBXARRHUSA-N 0 0 246.763 3.569 20 0 BHADRN C/C(=C/Cl)CSCc1nc(C(C)C)no1 ZINC000797814253 586132263 /nfs/dbraw/zinc/13/22/63/586132263.db2.gz XNMISHSQESKHOY-YWEYNIOJSA-N 0 0 246.763 3.569 20 0 BHADRN C/C(=C\Cl)CSCc1cccc(C)n1 ZINC000797814330 586132157 /nfs/dbraw/zinc/13/21/57/586132157.db2.gz ZTIDFENVEAPWNY-RMKNXTFCSA-N 0 0 227.760 3.766 20 0 BHADRN C/C(=C/Cl)CSCc1cccc(C)n1 ZINC000797814331 586132172 /nfs/dbraw/zinc/13/21/72/586132172.db2.gz ZTIDFENVEAPWNY-TWGQIWQCSA-N 0 0 227.760 3.766 20 0 BHADRN C/C(=C\Cl)CSCCOCCC(C)C ZINC000797814382 586132285 /nfs/dbraw/zinc/13/22/85/586132285.db2.gz AXAGULPKDRKETJ-DHZHZOJOSA-N 0 0 236.808 3.925 20 0 BHADRN C/C(=C/Cl)CSCCOCCC(C)C ZINC000797814383 586132144 /nfs/dbraw/zinc/13/21/44/586132144.db2.gz AXAGULPKDRKETJ-FLIBITNWSA-N 0 0 236.808 3.925 20 0 BHADRN C/C(=C/Cl)CSc1nc(C(C)C)ns1 ZINC000797829260 586132495 /nfs/dbraw/zinc/13/24/95/586132495.db2.gz DXELTLPIXWUGOL-DAXSKMNVSA-N 0 0 248.804 3.896 20 0 BHADRN C/C(=C\Cl)CSc1nc(C(C)C)ns1 ZINC000797829261 586132386 /nfs/dbraw/zinc/13/23/86/586132386.db2.gz DXELTLPIXWUGOL-QPJJXVBHSA-N 0 0 248.804 3.896 20 0 BHADRN C/C(=C/Cl)CSc1nc(C)nc(C)c1C ZINC000797829273 586132447 /nfs/dbraw/zinc/13/24/47/586132447.db2.gz FJARHLIDWCKSLM-ALCCZGGFSA-N 0 0 242.775 3.637 20 0 BHADRN C/C(=C\Cl)CSc1nc(C)nc(C)c1C ZINC000797829274 586131553 /nfs/dbraw/zinc/13/15/53/586131553.db2.gz FJARHLIDWCKSLM-FNORWQNLSA-N 0 0 242.775 3.637 20 0 BHADRN C/C(=C\Cl)CSc1ccnc(C2CC2)n1 ZINC000797829410 583933605 /nfs/dbraw/zinc/93/36/05/583933605.db2.gz JUGLZHMHZSYCFT-SOFGYWHQSA-N 0 0 240.759 3.589 20 0 BHADRN C/C(=C/Cl)CSc1ccnc(C2CC2)n1 ZINC000797829411 583933611 /nfs/dbraw/zinc/93/36/11/583933611.db2.gz JUGLZHMHZSYCFT-VURMDHGXSA-N 0 0 240.759 3.589 20 0 BHADRN C/C(=C\Cl)CSc1ccnc(C(C)C)n1 ZINC000797829431 586132478 /nfs/dbraw/zinc/13/24/78/586132478.db2.gz KSIBNNUZWLYGQM-RMKNXTFCSA-N 0 0 242.775 3.835 20 0 BHADRN C/C(=C/Cl)CSc1ccnc(C(C)C)n1 ZINC000797829432 586132496 /nfs/dbraw/zinc/13/24/96/586132496.db2.gz KSIBNNUZWLYGQM-TWGQIWQCSA-N 0 0 242.775 3.835 20 0 BHADRN C/C(=C/Cl)CSc1cc(C(C)C)ncn1 ZINC000797830189 586132588 /nfs/dbraw/zinc/13/25/88/586132588.db2.gz SXWXYANDNLLCFV-UITAMQMPSA-N 0 0 242.775 3.835 20 0 BHADRN C/C(=C\Cl)CSc1cc(C(C)C)ncn1 ZINC000797830190 586132658 /nfs/dbraw/zinc/13/26/58/586132658.db2.gz SXWXYANDNLLCFV-WEVVVXLNSA-N 0 0 242.775 3.835 20 0 BHADRN C/C(=C\Cl)CSc1nc(C2CC2)ns1 ZINC000797830192 586132712 /nfs/dbraw/zinc/13/27/12/586132712.db2.gz SYMJQBODKWJYPZ-GQCTYLIASA-N 0 0 246.788 3.650 20 0 BHADRN C/C(=C/Cl)CSc1nc(C2CC2)ns1 ZINC000797830211 586132769 /nfs/dbraw/zinc/13/27/69/586132769.db2.gz SYMJQBODKWJYPZ-XQRVVYSFSA-N 0 0 246.788 3.650 20 0 BHADRN CCc1cc(SC/C(C)=C/Cl)nc(C)n1 ZINC000797830286 586132665 /nfs/dbraw/zinc/13/26/65/586132665.db2.gz UTJFJYDNUKBBEK-SOFGYWHQSA-N 0 0 242.775 3.582 20 0 BHADRN CCc1cc(SC/C(C)=C\Cl)nc(C)n1 ZINC000797830290 586132612 /nfs/dbraw/zinc/13/26/12/586132612.db2.gz UTJFJYDNUKBBEK-VURMDHGXSA-N 0 0 242.775 3.582 20 0 BHADRN C/C(=C\Cl)CSc1cc(Cl)nc(C)n1 ZINC000797830515 586131591 /nfs/dbraw/zinc/13/15/91/586131591.db2.gz WCCKTVDDTTWWPO-GQCTYLIASA-N 0 0 249.166 3.673 20 0 BHADRN C/C(=C/Cl)CSc1cc(Cl)nc(C)n1 ZINC000797830520 586131541 /nfs/dbraw/zinc/13/15/41/586131541.db2.gz WCCKTVDDTTWWPO-XQRVVYSFSA-N 0 0 249.166 3.673 20 0 BHADRN CCc1cc(C)nc(SC/C(C)=C/Cl)n1 ZINC000797830607 586132741 /nfs/dbraw/zinc/13/27/41/586132741.db2.gz XEGZRGCXVXKNAL-SOFGYWHQSA-N 0 0 242.775 3.582 20 0 BHADRN CCc1cc(C)nc(SC/C(C)=C\Cl)n1 ZINC000797830609 586132652 /nfs/dbraw/zinc/13/26/52/586132652.db2.gz XEGZRGCXVXKNAL-VURMDHGXSA-N 0 0 242.775 3.582 20 0 BHADRN Fc1cccc(N[C@H]2C[C@H](c3ccccc3)C2)n1 ZINC000797834312 586132657 /nfs/dbraw/zinc/13/26/57/586132657.db2.gz FWAAXKOPCWGMIP-JOCQHMNTSA-N 0 0 242.297 3.579 20 0 BHADRN CC1=CCCN(c2ccnc3c(F)cccc23)C1 ZINC000797842632 586132989 /nfs/dbraw/zinc/13/29/89/586132989.db2.gz VTBWCVCJGJKXAV-UHFFFAOYSA-N 0 0 242.297 3.530 20 0 BHADRN CCC[C@@H](CC)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797843694 586132938 /nfs/dbraw/zinc/13/29/38/586132938.db2.gz OUUYGBKPTACIME-GHMZBOCLSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](CC)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797843695 586132802 /nfs/dbraw/zinc/13/28/02/586132802.db2.gz OUUYGBKPTACIME-MNOVXSKESA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](CC)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797843696 586132894 /nfs/dbraw/zinc/13/28/94/586132894.db2.gz OUUYGBKPTACIME-QWRGUYRKSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@H](CC)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797843697 586132884 /nfs/dbraw/zinc/13/28/84/586132884.db2.gz OUUYGBKPTACIME-WDEREUQCSA-N 0 0 247.329 3.507 20 0 BHADRN CCCC(C)(C)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797847082 586132838 /nfs/dbraw/zinc/13/28/38/586132838.db2.gz YDVWUMZGFLYHIS-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCC(C)(C)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797847084 586132851 /nfs/dbraw/zinc/13/28/51/586132851.db2.gz YDVWUMZGFLYHIS-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797873625 586133582 /nfs/dbraw/zinc/13/35/82/586133582.db2.gz OLJVAYSKRYXETE-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC(C)(CC)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797873626 586133560 /nfs/dbraw/zinc/13/35/60/586133560.db2.gz OLJVAYSKRYXETE-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN O=C(C[C@H]1CCC(F)(F)C1)Nc1ccsc1 ZINC000797878895 586133553 /nfs/dbraw/zinc/13/35/53/586133553.db2.gz AQQNJOFNFRCCIR-MRVPVSSYSA-N 0 0 245.294 3.512 20 0 BHADRN O=C(C[C@@H]1CCC(F)(F)C1)Nc1ccsc1 ZINC000797878896 586133570 /nfs/dbraw/zinc/13/35/70/586133570.db2.gz AQQNJOFNFRCCIR-QMMMGPOBSA-N 0 0 245.294 3.512 20 0 BHADRN CCCCCCOC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797889706 644819562 /nfs/dbraw/zinc/81/95/62/644819562.db2.gz COZOUKCFIOEECD-LLVKDONJSA-N 0 0 248.313 3.935 20 0 BHADRN CCCCCCOC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797889707 644819705 /nfs/dbraw/zinc/81/97/05/644819705.db2.gz COZOUKCFIOEECD-NSHDSACASA-N 0 0 248.313 3.935 20 0 BHADRN O=C(C[C@H]1CCC(F)(F)C1)OCC1CCCC1 ZINC000797890283 644819702 /nfs/dbraw/zinc/81/97/02/644819702.db2.gz JDVLNLYQOCMFNX-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(C[C@@H]1CCC(F)(F)C1)OCC1CCCC1 ZINC000797890284 644819673 /nfs/dbraw/zinc/81/96/73/644819673.db2.gz JDVLNLYQOCMFNX-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN CCC[C@@H](C)OC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797890851 586133689 /nfs/dbraw/zinc/13/36/89/586133689.db2.gz SGVZFXCJHGEZAW-NXEZZACHSA-N 0 0 234.286 3.544 20 0 BHADRN CCC[C@H](C)OC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797890963 586133691 /nfs/dbraw/zinc/13/36/91/586133691.db2.gz SGVZFXCJHGEZAW-UWVGGRQHSA-N 0 0 234.286 3.544 20 0 BHADRN CCC[C@H](C)OC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797890964 586133693 /nfs/dbraw/zinc/13/36/93/586133693.db2.gz SGVZFXCJHGEZAW-VHSXEESVSA-N 0 0 234.286 3.544 20 0 BHADRN CCC[C@@H](C)OC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797890965 586133679 /nfs/dbraw/zinc/13/36/79/586133679.db2.gz SGVZFXCJHGEZAW-ZJUUUORDSA-N 0 0 234.286 3.544 20 0 BHADRN CCC(CC)OC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797891001 586133683 /nfs/dbraw/zinc/13/36/83/586133683.db2.gz SUKBYVYFJWBNLB-SECBINFHSA-N 0 0 234.286 3.544 20 0 BHADRN CCC(CC)OC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797891004 586133694 /nfs/dbraw/zinc/13/36/94/586133694.db2.gz SUKBYVYFJWBNLB-VIFPVBQESA-N 0 0 234.286 3.544 20 0 BHADRN CCCCCOC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797893657 586133205 /nfs/dbraw/zinc/13/32/05/586133205.db2.gz PAPIUJSLAQUSRX-SNVBAGLBSA-N 0 0 234.286 3.545 20 0 BHADRN CCCCCOC(=O)[C@H](c1cccnc1)C(C)C ZINC000797897253 712426302 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/nfs/dbraw/zinc/13/38/57/586133857.db2.gz JSNLZEFXVLIBEF-JSGCOSHPSA-N 0 0 249.354 3.553 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@H](c1cccnc1)C(C)C ZINC000797899025 586133715 /nfs/dbraw/zinc/13/37/15/586133715.db2.gz JSNLZEFXVLIBEF-OCCSQVGLSA-N 0 0 249.354 3.553 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@@H](c1cccnc1)C(C)C ZINC000797899026 586133823 /nfs/dbraw/zinc/13/38/23/586133823.db2.gz JSNLZEFXVLIBEF-TZMCWYRMSA-N 0 0 249.354 3.553 20 0 BHADRN Cc1cc[nH]c1C(=O)Nc1cccc(C)c1Cl ZINC000797906959 586133955 /nfs/dbraw/zinc/13/39/55/586133955.db2.gz OXCMFRKMUQQQCP-UHFFFAOYSA-N 0 0 248.713 3.537 20 0 BHADRN Cc1cc[nH]c1C(=O)O[C@H](C)c1ccccc1C ZINC000797908223 586133924 /nfs/dbraw/zinc/13/39/24/586133924.db2.gz FSKREOYQEXOAJN-GFCCVEGCSA-N 0 0 243.306 3.550 20 0 BHADRN Cc1cc[nH]c1C(=O)O[C@@H](C)c1ccccc1C ZINC000797908229 586133961 /nfs/dbraw/zinc/13/39/61/586133961.db2.gz FSKREOYQEXOAJN-LBPRGKRZSA-N 0 0 243.306 3.550 20 0 BHADRN Cc1cc[nH]c1C(=O)O[C@H](C)c1cccc(C)c1 ZINC000797908356 583935531 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CC[C@@H](C)c1ccc(C(=O)N[C@@H]2C[C@H]2CC)cc1 ZINC000798094194 586136816 /nfs/dbraw/zinc/13/68/16/586136816.db2.gz KCMDFWASPYLNJU-LALPHHSUSA-N 0 0 245.366 3.728 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N[C@@H]2C[C@H]2CC)cc1 ZINC000798094195 586136993 /nfs/dbraw/zinc/13/69/93/586136993.db2.gz KCMDFWASPYLNJU-YWPYICTPSA-N 0 0 245.366 3.728 20 0 BHADRN CCCCCC(C)(C)C(=O)N[C@@H]1C[C@H]1CC ZINC000798094213 586136774 /nfs/dbraw/zinc/13/67/74/586136774.db2.gz LCUCQLPVLLSKJJ-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)C(C)(C)C1CCCCC1 ZINC000798094475 586136809 /nfs/dbraw/zinc/13/68/09/586136809.db2.gz RFMFBDHFCATDMU-DGCLKSJQSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]1CC ZINC000798094829 586136969 /nfs/dbraw/zinc/13/69/69/586136969.db2.gz YGKAQGCNUVVMCS-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN CCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H]1CC ZINC000798094830 586136835 /nfs/dbraw/zinc/13/68/35/586136835.db2.gz YGKAQGCNUVVMCS-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C(=O)N[C@@H]1C[C@H]1CC)C(C)C ZINC000798095012 586136943 /nfs/dbraw/zinc/13/69/43/586136943.db2.gz CKOIREIZUCKEGJ-HZSPNIEDSA-N 0 0 239.403 3.754 20 0 BHADRN CCCCC[C@@H](C(=O)N[C@@H]1C[C@H]1CC)C(C)C ZINC000798095013 586136894 /nfs/dbraw/zinc/13/68/94/586136894.db2.gz CKOIREIZUCKEGJ-MGPQQGTHSA-N 0 0 239.403 3.754 20 0 BHADRN FC(F)(F)c1ccccc1OC/C=C\Cl ZINC000798095054 586136879 /nfs/dbraw/zinc/13/68/79/586136879.db2.gz DLBKBRYJBUCIEO-UTCJRWHESA-N 0 0 236.620 3.837 20 0 BHADRN FC(F)(F)c1ccccc1OC/C=C/Cl ZINC000798095055 586136833 /nfs/dbraw/zinc/13/68/33/586136833.db2.gz DLBKBRYJBUCIEO-ZZXKWVIFSA-N 0 0 236.620 3.837 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@@H]1C[C@H]1CC ZINC000798095438 586136822 /nfs/dbraw/zinc/13/68/22/586136822.db2.gz MITVZPTXWLTRTC-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H]1C[C@H]1CC ZINC000798095439 586136992 /nfs/dbraw/zinc/13/69/92/586136992.db2.gz MITVZPTXWLTRTC-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H]1C[C@H]1NC(=O)CCCCCC(C)C ZINC000798095551 586136937 /nfs/dbraw/zinc/13/69/37/586136937.db2.gz PGHNXVIHXJPVPJ-CHWSQXEVSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@@H]1C[C@H]1CC ZINC000798095946 586136818 /nfs/dbraw/zinc/13/68/18/586136818.db2.gz UQWBMIWMNSCYDN-JHJVBQTASA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H]1C[C@H]1CC ZINC000798095947 586137009 /nfs/dbraw/zinc/13/70/09/586137009.db2.gz UQWBMIWMNSCYDN-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1CC ZINC000798096070 586136896 /nfs/dbraw/zinc/13/68/96/586136896.db2.gz ZPZGNWUXNFBIMJ-NFAWXSAZSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1CC ZINC000798096071 586136956 /nfs/dbraw/zinc/13/69/56/586136956.db2.gz ZPZGNWUXNFBIMJ-UMVBOHGHSA-N 0 0 239.403 3.898 20 0 BHADRN Cc1ccsc1C(=O)OCc1ccc(C)cc1 ZINC000798105766 586136449 /nfs/dbraw/zinc/13/64/49/586136449.db2.gz FIVLZYHQGQRCCU-UHFFFAOYSA-N 0 0 246.331 3.722 20 0 BHADRN 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636590548 /nfs/dbraw/zinc/59/05/48/636590548.db2.gz HOSNIWKDQFYIIG-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CC1(C(=O)OC[C@@H]2CCC(F)(F)C2)CCCC1 ZINC000798920927 636590178 /nfs/dbraw/zinc/59/01/78/636590178.db2.gz HOSNIWKDQFYIIG-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN CC(C)(C)/C=C/C(=O)OC[C@@H]1CCC(F)(F)C1 ZINC000798920982 586153854 /nfs/dbraw/zinc/15/38/54/586153854.db2.gz ITZMLTUDWGQBEV-BRAIEQGRSA-N 0 0 246.297 3.567 20 0 BHADRN CC(C)(C)/C=C\C(=O)OC[C@H]1CCC(F)(F)C1 ZINC000798920983 586153992 /nfs/dbraw/zinc/15/39/92/586153992.db2.gz ITZMLTUDWGQBEV-OMMCCPJFSA-N 0 0 246.297 3.567 20 0 BHADRN CC(C)(C)/C=C/C(=O)OC[C@H]1CCC(F)(F)C1 ZINC000798920984 586153947 /nfs/dbraw/zinc/15/39/47/586153947.db2.gz ITZMLTUDWGQBEV-PORFMDCZSA-N 0 0 246.297 3.567 20 0 BHADRN CC(C)(C)/C=C\C(=O)OC[C@@H]1CCC(F)(F)C1 ZINC000798920985 586153923 /nfs/dbraw/zinc/15/39/23/586153923.db2.gz ITZMLTUDWGQBEV-WWQCOOJYSA-N 0 0 246.297 3.567 20 0 BHADRN C[C@H](C(=O)OC[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000798921462 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CC(C)(C)SCC(=O)O[C@@H]1CCCC1(C)C ZINC000799453440 586176447 /nfs/dbraw/zinc/17/64/47/586176447.db2.gz JYCHQJKSOVNXBP-SNVBAGLBSA-N 0 0 244.400 3.640 20 0 BHADRN CC1(C)CCC[C@H]1OC(=O)c1ccccc1F ZINC000799463411 586176847 /nfs/dbraw/zinc/17/68/47/586176847.db2.gz JCGWFGIYKORDSD-GFCCVEGCSA-N 0 0 236.286 3.561 20 0 BHADRN CC1(C)CCC[C@@H]1OC(=O)c1ccccc1F ZINC000799463412 586176860 /nfs/dbraw/zinc/17/68/60/586176860.db2.gz JCGWFGIYKORDSD-LBPRGKRZSA-N 0 0 236.286 3.561 20 0 BHADRN CC(F)(F)CCC(=O)O[C@@H]1CCCC1(C)C ZINC000799473560 586177594 /nfs/dbraw/zinc/17/75/94/586177594.db2.gz IHSHFJQQZGDEKV-SECBINFHSA-N 0 0 234.286 3.544 20 0 BHADRN CC(F)(F)CCC(=O)O[C@H]1CCCC1(C)C ZINC000799473561 586177783 /nfs/dbraw/zinc/17/77/83/586177783.db2.gz IHSHFJQQZGDEKV-VIFPVBQESA-N 0 0 234.286 3.544 20 0 BHADRN CCC(C)(C)C(=O)O[C@H]1CCCC1(C)C ZINC000799483444 586179201 /nfs/dbraw/zinc/17/92/01/586179201.db2.gz POKIPCULMHNZGA-JTQLQIEISA-N 0 0 212.333 3.545 20 0 BHADRN CCC(C)(C)C(=O)O[C@@H]1CCCC1(C)C ZINC000799483445 586179289 /nfs/dbraw/zinc/17/92/89/586179289.db2.gz POKIPCULMHNZGA-SNVBAGLBSA-N 0 0 212.333 3.545 20 0 BHADRN C[C@H](CC(=O)O[C@@H]1CCCC1(C)C)n1cccc1 ZINC000799485788 586180155 /nfs/dbraw/zinc/18/01/55/586180155.db2.gz VSZXWNBTQDGBRL-CHWSQXEVSA-N 0 0 249.354 3.561 20 0 BHADRN C[C@H](CC(=O)O[C@H]1CCCC1(C)C)n1cccc1 ZINC000799485790 586180141 /nfs/dbraw/zinc/18/01/41/586180141.db2.gz VSZXWNBTQDGBRL-OLZOCXBDSA-N 0 0 249.354 3.561 20 0 BHADRN C[C@@H](CC(=O)O[C@@H]1CCCC1(C)C)n1cccc1 ZINC000799485791 586180075 /nfs/dbraw/zinc/18/00/75/586180075.db2.gz VSZXWNBTQDGBRL-QWHCGFSZSA-N 0 0 249.354 3.561 20 0 BHADRN C[C@@H](CC(=O)O[C@H]1CCCC1(C)C)n1cccc1 ZINC000799485793 583961359 /nfs/dbraw/zinc/96/13/59/583961359.db2.gz VSZXWNBTQDGBRL-STQMWFEESA-N 0 0 249.354 3.561 20 0 BHADRN CSCCCCC(=O)O[C@@H]1CCCC1(C)C ZINC000799491235 586180823 /nfs/dbraw/zinc/18/08/23/586180823.db2.gz FULZMWZSLGCOQV-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CSCCCCC(=O)O[C@H]1CCCC1(C)C ZINC000799491236 586180477 /nfs/dbraw/zinc/18/04/77/586180477.db2.gz FULZMWZSLGCOQV-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN C[C@H](C(=O)O[C@@H]1CCCC1(C)C)c1ccco1 ZINC000799491905 586180488 /nfs/dbraw/zinc/18/04/88/586180488.db2.gz ICNCXNNGRJLHDC-CMPLNLGQSA-N 0 0 236.311 3.505 20 0 BHADRN C[C@H](C(=O)O[C@H]1CCCC1(C)C)c1ccco1 ZINC000799491908 586180622 /nfs/dbraw/zinc/18/06/22/586180622.db2.gz ICNCXNNGRJLHDC-JQWIXIFHSA-N 0 0 236.311 3.505 20 0 BHADRN C[C@@H](C(=O)O[C@H]1CCCC1(C)C)c1ccco1 ZINC000799491909 586180650 /nfs/dbraw/zinc/18/06/50/586180650.db2.gz ICNCXNNGRJLHDC-PWSUYJOCSA-N 0 0 236.311 3.505 20 0 BHADRN C[C@@H](C(=O)O[C@@H]1CCCC1(C)C)c1ccco1 ZINC000799491911 586180806 /nfs/dbraw/zinc/18/08/06/586180806.db2.gz ICNCXNNGRJLHDC-ZYHUDNBSSA-N 0 0 236.311 3.505 20 0 BHADRN CC1(C)CCC[C@H]1OC(=O)C(C1CC1)C1CC1 ZINC000799502506 586182381 /nfs/dbraw/zinc/18/23/81/586182381.db2.gz LNRIYFPSZPEOMA-GFCCVEGCSA-N 0 0 236.355 3.545 20 0 BHADRN CC1(C)CCC[C@@H]1OC(=O)C(C1CC1)C1CC1 ZINC000799502510 586182407 /nfs/dbraw/zinc/18/24/07/586182407.db2.gz LNRIYFPSZPEOMA-LBPRGKRZSA-N 0 0 236.355 3.545 20 0 BHADRN C/C=C(\C)C(=O)Nc1cc(C)c(Cl)c(C)c1 ZINC000799503078 586182555 /nfs/dbraw/zinc/18/25/55/586182555.db2.gz HGXKUYFUXIDQOH-VMPITWQZSA-N 0 0 237.730 3.862 20 0 BHADRN C/C=C(/C)C(=O)Nc1cc(C)c(Cl)c(C)c1 ZINC000799503082 586182610 /nfs/dbraw/zinc/18/26/10/586182610.db2.gz HGXKUYFUXIDQOH-YVMONPNESA-N 0 0 237.730 3.862 20 0 BHADRN CS[C@H](C)CCC(=O)O[C@@H]1CCCC1(C)C ZINC000799503551 586182427 /nfs/dbraw/zinc/18/24/27/586182427.db2.gz OPGFRPOEOIDBJV-GHMZBOCLSA-N 0 0 244.400 3.640 20 0 BHADRN CS[C@H](C)CCC(=O)O[C@H]1CCCC1(C)C ZINC000799503552 586182505 /nfs/dbraw/zinc/18/25/05/586182505.db2.gz OPGFRPOEOIDBJV-MNOVXSKESA-N 0 0 244.400 3.640 20 0 BHADRN CS[C@@H](C)CCC(=O)O[C@H]1CCCC1(C)C ZINC000799503553 586182489 /nfs/dbraw/zinc/18/24/89/586182489.db2.gz OPGFRPOEOIDBJV-QWRGUYRKSA-N 0 0 244.400 3.640 20 0 BHADRN CS[C@@H](C)CCC(=O)O[C@@H]1CCCC1(C)C ZINC000799503554 586182613 /nfs/dbraw/zinc/18/26/13/586182613.db2.gz OPGFRPOEOIDBJV-WDEREUQCSA-N 0 0 244.400 3.640 20 0 BHADRN Cc1cc(NC(=O)/C=C/C2CC2)cc(C)c1Cl ZINC000799504705 583962293 /nfs/dbraw/zinc/96/22/93/583962293.db2.gz RPQIGEQAQRUKGO-AATRIKPKSA-N 0 0 249.741 3.862 20 0 BHADRN Cc1cc(NC(=O)/C=C\C2CC2)cc(C)c1Cl ZINC000799504706 583962324 /nfs/dbraw/zinc/96/23/24/583962324.db2.gz RPQIGEQAQRUKGO-WAYWQWQTSA-N 0 0 249.741 3.862 20 0 BHADRN CC1(C)CCC[C@@H]1OC(=O)C12CCC(CC1)C2 ZINC000799505606 583962317 /nfs/dbraw/zinc/96/23/17/583962317.db2.gz LXHBVPQMLJHANP-AVERBVTBSA-N 0 0 236.355 3.689 20 0 BHADRN CC1(C)CCC[C@H]1OC(=O)C12CCC(CC1)C2 ZINC000799505607 583962115 /nfs/dbraw/zinc/96/21/15/583962115.db2.gz LXHBVPQMLJHANP-MQYJIDSJSA-N 0 0 236.355 3.689 20 0 BHADRN CC1(C)CCC[C@H]1OC(=O)c1ccoc1Cl ZINC000799513376 586183272 /nfs/dbraw/zinc/18/32/72/586183272.db2.gz WSCKNJJEYSRIAR-SECBINFHSA-N 0 0 242.702 3.669 20 0 BHADRN CC1(C)CCC[C@@H]1OC(=O)c1ccoc1Cl ZINC000799513377 586182904 /nfs/dbraw/zinc/18/29/04/586182904.db2.gz WSCKNJJEYSRIAR-VIFPVBQESA-N 0 0 242.702 3.669 20 0 BHADRN CC1(C)CCC[C@H]1OC(=O)[C@@H]1CCC(F)(F)C1 ZINC000799516430 586183559 /nfs/dbraw/zinc/18/35/59/586183559.db2.gz SNRJEHIMMORIQT-NXEZZACHSA-N 0 0 246.297 3.544 20 0 BHADRN CC1(C)CCC[C@@H]1OC(=O)[C@H]1CCC(F)(F)C1 ZINC000799516431 586183565 /nfs/dbraw/zinc/18/35/65/586183565.db2.gz SNRJEHIMMORIQT-UWVGGRQHSA-N 0 0 246.297 3.544 20 0 BHADRN CC1(C)CCC[C@H]1OC(=O)[C@H]1CCC(F)(F)C1 ZINC000799516432 586183290 /nfs/dbraw/zinc/18/32/90/586183290.db2.gz SNRJEHIMMORIQT-VHSXEESVSA-N 0 0 246.297 3.544 20 0 BHADRN CC1(C)CCC[C@@H]1OC(=O)[C@@H]1CCC(F)(F)C1 ZINC000799516433 586182986 /nfs/dbraw/zinc/18/29/86/586182986.db2.gz SNRJEHIMMORIQT-ZJUUUORDSA-N 0 0 246.297 3.544 20 0 BHADRN CCC[C@@H](C(=O)OC[C@H](C)CC)c1ccccn1 ZINC000799531024 586184412 /nfs/dbraw/zinc/18/44/12/586184412.db2.gz PAFLJBVWIJTQDR-CHWSQXEVSA-N 0 0 249.354 3.555 20 0 BHADRN CCC[C@H](C(=O)OC[C@H](C)CC)c1ccccn1 ZINC000799531025 586184282 /nfs/dbraw/zinc/18/42/82/586184282.db2.gz PAFLJBVWIJTQDR-OLZOCXBDSA-N 0 0 249.354 3.555 20 0 BHADRN CCC[C@@H](C(=O)OC[C@@H](C)CC)c1ccccn1 ZINC000799531026 586184018 /nfs/dbraw/zinc/18/40/18/586184018.db2.gz PAFLJBVWIJTQDR-QWHCGFSZSA-N 0 0 249.354 3.555 20 0 BHADRN CCC[C@H](C(=O)OC[C@@H](C)CC)c1ccccn1 ZINC000799531027 586184275 /nfs/dbraw/zinc/18/42/75/586184275.db2.gz PAFLJBVWIJTQDR-STQMWFEESA-N 0 0 249.354 3.555 20 0 BHADRN CCC[C@@H](C(=O)OC(CC)CC)c1ccccn1 ZINC000799532023 586184205 /nfs/dbraw/zinc/18/42/05/586184205.db2.gz YIAHXRCKIUWVIC-CYBMUJFWSA-N 0 0 249.354 3.697 20 0 BHADRN CCC[C@H](C(=O)OC(CC)CC)c1ccccn1 ZINC000799532024 586184389 /nfs/dbraw/zinc/18/43/89/586184389.db2.gz YIAHXRCKIUWVIC-ZDUSSCGKSA-N 0 0 249.354 3.697 20 0 BHADRN CCCCCOC(=O)[C@H](CCC)c1ccccn1 ZINC000799533103 586184373 /nfs/dbraw/zinc/18/43/73/586184373.db2.gz UZNWFKNKZUJJHK-CYBMUJFWSA-N 0 0 249.354 3.699 20 0 BHADRN CCCCCOC(=O)[C@@H](CCC)c1ccccn1 ZINC000799533104 586184090 /nfs/dbraw/zinc/18/40/90/586184090.db2.gz UZNWFKNKZUJJHK-ZDUSSCGKSA-N 0 0 249.354 3.699 20 0 BHADRN CCC[C@@H](C(=O)OCCC(C)C)c1ccccn1 ZINC000799534260 586184266 /nfs/dbraw/zinc/18/42/66/586184266.db2.gz PJIQYQWLHOOFOO-CYBMUJFWSA-N 0 0 249.354 3.555 20 0 BHADRN CCC[C@H](C(=O)OCCC(C)C)c1ccccn1 ZINC000799534261 586184281 /nfs/dbraw/zinc/18/42/81/586184281.db2.gz PJIQYQWLHOOFOO-ZDUSSCGKSA-N 0 0 249.354 3.555 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@H](CCC)c1ccccn1 ZINC000799536925 586183991 /nfs/dbraw/zinc/18/39/91/586183991.db2.gz YURWJKVXXFNHQE-CHWSQXEVSA-N 0 0 249.354 3.697 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@@H](CCC)c1ccccn1 ZINC000799536926 586184262 /nfs/dbraw/zinc/18/42/62/586184262.db2.gz YURWJKVXXFNHQE-OLZOCXBDSA-N 0 0 249.354 3.697 20 0 BHADRN CCC[C@@H](C(=O)O[C@@H](C)CCC)c1ccccn1 ZINC000799536929 586183994 /nfs/dbraw/zinc/18/39/94/586183994.db2.gz YURWJKVXXFNHQE-QWHCGFSZSA-N 0 0 249.354 3.697 20 0 BHADRN CCC[C@H](C)OC(=O)[C@@H](CCC)c1ccccn1 ZINC000799536932 586184216 /nfs/dbraw/zinc/18/42/16/586184216.db2.gz YURWJKVXXFNHQE-STQMWFEESA-N 0 0 249.354 3.697 20 0 BHADRN CC(C)C(=O)OCCC(C)(C)c1ccccc1 ZINC000799634739 586187403 /nfs/dbraw/zinc/18/74/03/586187403.db2.gz BWZNMOCJWIGVQM-UHFFFAOYSA-N 0 0 234.339 3.554 20 0 BHADRN CC(C)(CCOC(=O)C1(C)CC1)c1ccccc1 ZINC000799635147 586187547 /nfs/dbraw/zinc/18/75/47/586187547.db2.gz OIJVYPAFRKGXNT-UHFFFAOYSA-N 0 0 246.350 3.698 20 0 BHADRN CC(C)(CCOC(=O)C1CCC1)c1ccccc1 ZINC000799635489 586187662 /nfs/dbraw/zinc/18/76/62/586187662.db2.gz PZVLVMUNGFYQCT-UHFFFAOYSA-N 0 0 246.350 3.698 20 0 BHADRN CC(C)(CCOC(=O)CC1CC1)c1ccccc1 ZINC000799636030 586187607 /nfs/dbraw/zinc/18/76/07/586187607.db2.gz BIVNSEIIPUUWBP-UHFFFAOYSA-N 0 0 246.350 3.698 20 0 BHADRN CC(C)CC1(COC(=O)C(C)(C)C(F)F)CC1 ZINC000799662976 586188223 /nfs/dbraw/zinc/18/82/23/586188223.db2.gz DNLLJHVYEGERJZ-UHFFFAOYSA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)CC1(COC(=O)C2(F)CCCC2)CC1 ZINC000799663532 586188820 /nfs/dbraw/zinc/18/88/20/586188820.db2.gz JFJWXDOYJCZFPP-UHFFFAOYSA-N 0 0 242.334 3.638 20 0 BHADRN CC(C)CC1(COC(=O)CCC(C)(F)F)CC1 ZINC000799663929 586188610 /nfs/dbraw/zinc/18/86/10/586188610.db2.gz NKTSSEGWTYDQQX-UHFFFAOYSA-N 0 0 248.313 3.791 20 0 BHADRN CC(C)C1(COC(=O)c2ccoc2Cl)CC1 ZINC000799670812 586190056 /nfs/dbraw/zinc/19/00/56/586190056.db2.gz NILMSQUICPYOMU-UHFFFAOYSA-N 0 0 242.702 3.526 20 0 BHADRN CC(C)C1(COC(=O)C23CCC(CC2)C3)CC1 ZINC000799673627 586190792 /nfs/dbraw/zinc/19/07/92/586190792.db2.gz IULOAHWGQCCGNA-UHFFFAOYSA-N 0 0 236.355 3.546 20 0 BHADRN CC(C)C1(COC(=O)c2ccc(Cl)o2)CC1 ZINC000799673981 586191177 /nfs/dbraw/zinc/19/11/77/586191177.db2.gz VPJPFHOFRZYOJE-UHFFFAOYSA-N 0 0 242.702 3.526 20 0 BHADRN CCC[C@@](C)(CC)C(=O)OCC1(SC)CC1 ZINC000799683115 586191167 /nfs/dbraw/zinc/19/11/67/586191167.db2.gz NNSSTENVJQNRNX-GFCCVEGCSA-N 0 0 244.400 3.642 20 0 BHADRN CCC[C@](C)(CC)C(=O)OCC1(SC)CC1 ZINC000799683116 586191231 /nfs/dbraw/zinc/19/12/31/586191231.db2.gz NNSSTENVJQNRNX-LBPRGKRZSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC[C@@H](CC)C(=O)OCC1(SC)CC1 ZINC000799683592 586191432 /nfs/dbraw/zinc/19/14/32/586191432.db2.gz WPVVSVFZXONVFE-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC[C@H](CC)C(=O)OCC1(SC)CC1 ZINC000799683593 586191391 /nfs/dbraw/zinc/19/13/91/586191391.db2.gz WPVVSVFZXONVFE-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CCCC(CCC)C(=O)OCC1(SC)CC1 ZINC000799685159 586191602 /nfs/dbraw/zinc/19/16/02/586191602.db2.gz OCYUZIBWMIGIQS-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC(C)(C)CC(=O)OCC1(SC)CC1 ZINC000799686710 586192191 /nfs/dbraw/zinc/19/21/91/586192191.db2.gz HNANXMFEIOVUCA-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CSC1(COC(=O)CCCC(C)(C)C)CC1 ZINC000799687136 586192074 /nfs/dbraw/zinc/19/20/74/586192074.db2.gz WHKGLTUKICRTCW-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCC(CC)(CC)C(=O)OCC1(SC)CC1 ZINC000799688041 586192195 /nfs/dbraw/zinc/19/21/95/586192195.db2.gz BSTWJRFDKBRWEO-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCC(C)(CC)C(=O)OCC1(SC)CCC1 ZINC000799689114 586192288 /nfs/dbraw/zinc/19/22/88/586192288.db2.gz DIQJGTAZLVNQOH-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCC[C@@H](C)CC(=O)OCC1(SC)CCC1 ZINC000799690280 586192825 /nfs/dbraw/zinc/19/28/25/586192825.db2.gz ZPPQGOJCCSFJQU-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CCC[C@H](C)CC(=O)OCC1(SC)CCC1 ZINC000799690281 586192925 /nfs/dbraw/zinc/19/29/25/586192925.db2.gz ZPPQGOJCCSFJQU-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN CCCCCCC(=O)OCC1(SC)CCC1 ZINC000799690462 586192675 /nfs/dbraw/zinc/19/26/75/586192675.db2.gz LDGDUPXNOMCJGF-UHFFFAOYSA-N 0 0 244.400 3.786 20 0 BHADRN CCC/C(C)=C\C(=O)OCC1(SC)CCC1 ZINC000799691008 583965113 /nfs/dbraw/zinc/96/51/13/583965113.db2.gz BZKNTXFYQUUBTD-LUAWRHEFSA-N 0 0 242.384 3.562 20 0 BHADRN CCC/C(C)=C/C(=O)OCC1(SC)CCC1 ZINC000799691010 583964987 /nfs/dbraw/zinc/96/49/87/583964987.db2.gz BZKNTXFYQUUBTD-PKNBQFBNSA-N 0 0 242.384 3.562 20 0 BHADRN CCC(C)(C)CC(=O)OCC1(SC)CCC1 ZINC000799691668 586192765 /nfs/dbraw/zinc/19/27/65/586192765.db2.gz PSNXOQBAMQCMMX-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCC(CC)CC(=O)OCC1(SC)CCC1 ZINC000799691782 586192842 /nfs/dbraw/zinc/19/28/42/586192842.db2.gz RMNQMQMSQDFTQE-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCC(=CC(=O)OCC1(SC)CCC1)CC ZINC000799691789 586192904 /nfs/dbraw/zinc/19/29/04/586192904.db2.gz RQVREIYOYZDZHA-UHFFFAOYSA-N 0 0 242.384 3.562 20 0 BHADRN CSC1(COC(=O)CCC(C)(C)C)CCC1 ZINC000799692496 586192887 /nfs/dbraw/zinc/19/28/87/586192887.db2.gz JZPVPMNBOCEANO-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1ccccc1C ZINC000799853975 586197733 /nfs/dbraw/zinc/19/77/33/586197733.db2.gz BRRJSQXJXGKBNI-GFCCVEGCSA-N 0 0 220.312 3.727 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1ccccc1C ZINC000799853976 586197607 /nfs/dbraw/zinc/19/76/07/586197607.db2.gz BRRJSQXJXGKBNI-LBPRGKRZSA-N 0 0 220.312 3.727 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1ccc(F)cc1 ZINC000799854037 586197659 /nfs/dbraw/zinc/19/76/59/586197659.db2.gz FCHNYBMESFWVLW-JTQLQIEISA-N 0 0 224.275 3.557 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1ccc(F)cc1 ZINC000799854038 586197646 /nfs/dbraw/zinc/19/76/46/586197646.db2.gz FCHNYBMESFWVLW-SNVBAGLBSA-N 0 0 224.275 3.557 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1cccc(F)c1 ZINC000799854222 586196841 /nfs/dbraw/zinc/19/68/41/586196841.db2.gz IPCRTROYTODIQP-JTQLQIEISA-N 0 0 224.275 3.557 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1cccc(F)c1 ZINC000799854223 586197079 /nfs/dbraw/zinc/19/70/79/586197079.db2.gz IPCRTROYTODIQP-SNVBAGLBSA-N 0 0 224.275 3.557 20 0 BHADRN CCCCCCNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000799854258 586197530 /nfs/dbraw/zinc/19/75/30/586197530.db2.gz JNABZWRZNUNIKM-LLVKDONJSA-N 0 0 247.329 3.508 20 0 BHADRN CCCCCCNC(=O)[C@H]1CCCC(F)(F)C1 ZINC000799854259 586197625 /nfs/dbraw/zinc/19/76/25/586197625.db2.gz JNABZWRZNUNIKM-NSHDSACASA-N 0 0 247.329 3.508 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1ccc(C)cc1 ZINC000799854614 586197824 /nfs/dbraw/zinc/19/78/24/586197824.db2.gz QGSRRHYLBCIVOF-GFCCVEGCSA-N 0 0 220.312 3.727 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1ccc(C)cc1 ZINC000799854616 586197457 /nfs/dbraw/zinc/19/74/57/586197457.db2.gz QGSRRHYLBCIVOF-LBPRGKRZSA-N 0 0 220.312 3.727 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1ccc(C(C)=O)cc1 ZINC000799854669 586197838 /nfs/dbraw/zinc/19/78/38/586197838.db2.gz BFLIQIABLLZVCF-LLVKDONJSA-N 0 0 248.322 3.621 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1ccc(C(C)=O)cc1 ZINC000799854670 586197849 /nfs/dbraw/zinc/19/78/49/586197849.db2.gz BFLIQIABLLZVCF-NSHDSACASA-N 0 0 248.322 3.621 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000799854673 586197870 /nfs/dbraw/zinc/19/78/70/586197870.db2.gz BHDLTXKHHINAOQ-GFCCVEGCSA-N 0 0 248.370 3.517 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000799854674 586197669 /nfs/dbraw/zinc/19/76/69/586197669.db2.gz BHDLTXKHHINAOQ-LBPRGKRZSA-N 0 0 248.370 3.517 20 0 BHADRN CSCC(C)(C)C(=O)OC1CCCCCC1 ZINC000799854873 586197506 /nfs/dbraw/zinc/19/75/06/586197506.db2.gz GIBDDDHBLXJOCR-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1ccccc1F ZINC000799855138 586197845 /nfs/dbraw/zinc/19/78/45/586197845.db2.gz WZCQJHQGSYIBSX-JTQLQIEISA-N 0 0 224.275 3.557 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1ccccc1F ZINC000799855140 586197352 /nfs/dbraw/zinc/19/73/52/586197352.db2.gz WZCQJHQGSYIBSX-SNVBAGLBSA-N 0 0 224.275 3.557 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1cccc(C)c1 ZINC000799855342 586198594 /nfs/dbraw/zinc/19/85/94/586198594.db2.gz ZBHHNOGGOJGWKP-GFCCVEGCSA-N 0 0 220.312 3.727 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1cccc(C)c1 ZINC000799855343 586198143 /nfs/dbraw/zinc/19/81/43/586198143.db2.gz ZBHHNOGGOJGWKP-LBPRGKRZSA-N 0 0 220.312 3.727 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H](C)CCCC ZINC000799855713 586198401 /nfs/dbraw/zinc/19/84/01/586198401.db2.gz QNQSHYHAKLNOJG-CHWSQXEVSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H](C)CCCC ZINC000799855714 586198491 /nfs/dbraw/zinc/19/84/91/586198491.db2.gz QNQSHYHAKLNOJG-OLZOCXBDSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H](C)CCCC ZINC000799855715 586198266 /nfs/dbraw/zinc/19/82/66/586198266.db2.gz QNQSHYHAKLNOJG-QWHCGFSZSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H](C)CCCC ZINC000799855716 586198124 /nfs/dbraw/zinc/19/81/24/586198124.db2.gz QNQSHYHAKLNOJG-STQMWFEESA-N 0 0 227.392 3.898 20 0 BHADRN O=C(OC1CCCCC1)[C@H]1CCCC(F)(F)C1 ZINC000799856210 586198331 /nfs/dbraw/zinc/19/83/31/586198331.db2.gz XAJQRAZRHMUUNH-JTQLQIEISA-N 0 0 246.297 3.688 20 0 BHADRN O=C(OC1CCCCC1)[C@@H]1CCCC(F)(F)C1 ZINC000799856211 586197435 /nfs/dbraw/zinc/19/74/35/586197435.db2.gz XAJQRAZRHMUUNH-SNVBAGLBSA-N 0 0 246.297 3.688 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCCCCCC1 ZINC000799857516 586198235 /nfs/dbraw/zinc/19/82/35/586198235.db2.gz VGWZGDYPKGLWBK-CYBMUJFWSA-N 0 0 225.376 3.605 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCCCCCC1 ZINC000799857517 586198260 /nfs/dbraw/zinc/19/82/60/586198260.db2.gz VGWZGDYPKGLWBK-ZDUSSCGKSA-N 0 0 225.376 3.605 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1cccc(C(C)=O)c1 ZINC000799858441 586198416 /nfs/dbraw/zinc/19/84/16/586198416.db2.gz VLCWHMZOPPWPMU-LLVKDONJSA-N 0 0 248.322 3.621 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1cccc(C(C)=O)c1 ZINC000799858442 586198268 /nfs/dbraw/zinc/19/82/68/586198268.db2.gz VLCWHMZOPPWPMU-NSHDSACASA-N 0 0 248.322 3.621 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1c(F)cccc1F ZINC000799861323 586198425 /nfs/dbraw/zinc/19/84/25/586198425.db2.gz NVNLMDDKDOBXDA-SECBINFHSA-N 0 0 242.265 3.697 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1c(F)cccc1F ZINC000799861326 586198364 /nfs/dbraw/zinc/19/83/64/586198364.db2.gz NVNLMDDKDOBXDA-VIFPVBQESA-N 0 0 242.265 3.697 20 0 BHADRN CC(C)c1ccc(SCC(=O)C(F)F)cc1 ZINC000799881759 586200290 /nfs/dbraw/zinc/20/02/90/586200290.db2.gz RZKYHYONGOYRBW-UHFFFAOYSA-N 0 0 244.306 3.736 20 0 BHADRN C[C@@H](O)[C@@H](C)SCCSC1CCCCC1 ZINC000799887533 586201616 /nfs/dbraw/zinc/20/16/16/586201616.db2.gz BKGCYTVNLITRMT-GHMZBOCLSA-N 0 0 248.457 3.555 20 0 BHADRN C[C@@H](O)[C@H](C)SCCSC1CCCCC1 ZINC000799887534 586202016 /nfs/dbraw/zinc/20/20/16/586202016.db2.gz BKGCYTVNLITRMT-MNOVXSKESA-N 0 0 248.457 3.555 20 0 BHADRN C[C@H](O)[C@H](C)SCCSC1CCCCC1 ZINC000799887535 586201745 /nfs/dbraw/zinc/20/17/45/586201745.db2.gz BKGCYTVNLITRMT-QWRGUYRKSA-N 0 0 248.457 3.555 20 0 BHADRN C[C@@H](SCCSC1CCCCC1)[C@H](C)O ZINC000799887536 586201073 /nfs/dbraw/zinc/20/10/73/586201073.db2.gz BKGCYTVNLITRMT-WDEREUQCSA-N 0 0 248.457 3.555 20 0 BHADRN c1c[nH]c(SCCSC2CCCCC2)n1 ZINC000799887626 586201669 /nfs/dbraw/zinc/20/16/69/586201669.db2.gz FBWAHWKDYPOVGH-UHFFFAOYSA-N 0 0 242.413 3.568 20 0 BHADRN C[C@H](CCO)SCCSC1CCCCC1 ZINC000799887638 586201747 /nfs/dbraw/zinc/20/17/47/586201747.db2.gz FPZKFLHTOQUURR-LLVKDONJSA-N 0 0 248.457 3.556 20 0 BHADRN C[C@@H](CCO)SCCSC1CCCCC1 ZINC000799887639 586202029 /nfs/dbraw/zinc/20/20/29/586202029.db2.gz FPZKFLHTOQUURR-NSHDSACASA-N 0 0 248.457 3.556 20 0 BHADRN CC(=O)[C@@H](C)SCCSC1CCCCC1 ZINC000799888788 586201533 /nfs/dbraw/zinc/20/15/33/586201533.db2.gz SLRWPXOBQCQBNT-LLVKDONJSA-N 0 0 246.441 3.763 20 0 BHADRN CC(=O)[C@H](C)SCCSC1CCCCC1 ZINC000799888794 586201607 /nfs/dbraw/zinc/20/16/07/586201607.db2.gz SLRWPXOBQCQBNT-NSHDSACASA-N 0 0 246.441 3.763 20 0 BHADRN CCC(CC)(CC)SCC(=O)C(F)F ZINC000799892789 586202019 /nfs/dbraw/zinc/20/20/19/586202019.db2.gz LOJIPDOZSPMFAZ-UHFFFAOYSA-N 0 0 224.316 3.523 20 0 BHADRN c1coc(SCCSC2CCCCC2)n1 ZINC000799893082 586198474 /nfs/dbraw/zinc/19/84/74/586198474.db2.gz NKXYYADAJKCHRV-UHFFFAOYSA-N 0 0 243.397 3.833 20 0 BHADRN Cc1cc2c(c(C)c1)/C(=C/c1ccccc1)C(=O)N2 ZINC000799896565 586201948 /nfs/dbraw/zinc/20/19/48/586201948.db2.gz JABAULYWSUUNNE-UVTDQMKNSA-N 0 0 249.313 3.796 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000799926048 586202493 /nfs/dbraw/zinc/20/24/93/586202493.db2.gz IAHNDNDPRCLOLS-SECBINFHSA-N 0 0 242.265 3.697 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1cc(F)cc(F)c1 ZINC000799926052 586202684 /nfs/dbraw/zinc/20/26/84/586202684.db2.gz IAHNDNDPRCLOLS-VIFPVBQESA-N 0 0 242.265 3.697 20 0 BHADRN CCCC[C@@H](C)C(=O)N(C)c1ccc(C)cc1 ZINC000799927199 586203028 /nfs/dbraw/zinc/20/30/28/586203028.db2.gz TWNZKJMGDXTXEN-CYBMUJFWSA-N 0 0 233.355 3.784 20 0 BHADRN CCCC[C@H](C)C(=O)N(C)c1ccc(C)cc1 ZINC000799927200 586203224 /nfs/dbraw/zinc/20/32/24/586203224.db2.gz TWNZKJMGDXTXEN-ZDUSSCGKSA-N 0 0 233.355 3.784 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1cccc(F)c1F ZINC000799929781 586203240 /nfs/dbraw/zinc/20/32/40/586203240.db2.gz FCKCTWZALWLEMT-SECBINFHSA-N 0 0 242.265 3.697 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1cccc(F)c1F ZINC000799929782 586203355 /nfs/dbraw/zinc/20/33/55/586203355.db2.gz FCKCTWZALWLEMT-VIFPVBQESA-N 0 0 242.265 3.697 20 0 BHADRN CCCC[C@@H](C)C(=O)NC[C@H](C)C(C)(C)C ZINC000799937781 586203357 /nfs/dbraw/zinc/20/33/57/586203357.db2.gz GAWVVUQANJKDIS-NEPJUHHUSA-N 0 0 227.392 3.611 20 0 BHADRN CCCC[C@H](C)C(=O)NC[C@@H](C)C(C)(C)C ZINC000799937782 586203103 /nfs/dbraw/zinc/20/31/03/586203103.db2.gz GAWVVUQANJKDIS-NWDGAFQWSA-N 0 0 227.392 3.611 20 0 BHADRN CCCC[C@H](C)C(=O)NC[C@H](C)C(C)(C)C ZINC000799937783 586203336 /nfs/dbraw/zinc/20/33/36/586203336.db2.gz GAWVVUQANJKDIS-RYUDHWBXSA-N 0 0 227.392 3.611 20 0 BHADRN CCCC[C@@H](C)C(=O)NC[C@@H](C)C(C)(C)C ZINC000799937784 586203012 /nfs/dbraw/zinc/20/30/12/586203012.db2.gz GAWVVUQANJKDIS-VXGBXAGGSA-N 0 0 227.392 3.611 20 0 BHADRN CCCC[C@@H](C)C(=O)N(CCC)c1cccnc1 ZINC000799961900 586203605 /nfs/dbraw/zinc/20/36/05/586203605.db2.gz GTGISPFYDYWMGK-CYBMUJFWSA-N 0 0 248.370 3.651 20 0 BHADRN CCCC[C@H](C)C(=O)N(CCC)c1cccnc1 ZINC000799961901 586203773 /nfs/dbraw/zinc/20/37/73/586203773.db2.gz GTGISPFYDYWMGK-ZDUSSCGKSA-N 0 0 248.370 3.651 20 0 BHADRN CCCC[C@H](C)C(=O)NCc1c(C)cccc1C ZINC000799968820 586203940 /nfs/dbraw/zinc/20/39/40/586203940.db2.gz FFLSLPGEPDGZBC-AWEZNQCLSA-N 0 0 247.382 3.746 20 0 BHADRN CCCC[C@@H](C)C(=O)NCc1c(C)cccc1C ZINC000799968822 586203754 /nfs/dbraw/zinc/20/37/54/586203754.db2.gz FFLSLPGEPDGZBC-CQSZACIVSA-N 0 0 247.382 3.746 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CCc2cc(C)ccc21 ZINC000799981588 586204492 /nfs/dbraw/zinc/20/44/92/586204492.db2.gz KBXBNPNOIQSJHS-CYBMUJFWSA-N 0 0 245.366 3.710 20 0 BHADRN CCCC[C@H](C)C(=O)N1CCc2cc(C)ccc21 ZINC000799981589 586204498 /nfs/dbraw/zinc/20/44/98/586204498.db2.gz KBXBNPNOIQSJHS-ZDUSSCGKSA-N 0 0 245.366 3.710 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000799982923 586204369 /nfs/dbraw/zinc/20/43/69/586204369.db2.gz QOFWZJANBHPCMT-GMTAPVOTSA-N 0 0 246.297 3.544 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000799982924 586204503 /nfs/dbraw/zinc/20/45/03/586204503.db2.gz QOFWZJANBHPCMT-MXWKQRLJSA-N 0 0 246.297 3.544 20 0 BHADRN C[C@@H]1CC[C@@H](OC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000799982925 586204490 /nfs/dbraw/zinc/20/44/90/586204490.db2.gz QOFWZJANBHPCMT-OUAUKWLOSA-N 0 0 246.297 3.544 20 0 BHADRN C[C@@H]1CC[C@H](OC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000799982926 586204279 /nfs/dbraw/zinc/20/42/79/586204279.db2.gz QOFWZJANBHPCMT-VWYCJHECSA-N 0 0 246.297 3.544 20 0 BHADRN CCCC[C@@H](C)C(=O)OCc1sccc1C ZINC000799982949 586204540 /nfs/dbraw/zinc/20/45/40/586204540.db2.gz RFEUTPBSKKTXKO-LLVKDONJSA-N 0 0 240.368 3.926 20 0 BHADRN CCCC[C@H](C)C(=O)OCc1sccc1C ZINC000799982950 586204478 /nfs/dbraw/zinc/20/44/78/586204478.db2.gz RFEUTPBSKKTXKO-NSHDSACASA-N 0 0 240.368 3.926 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1cccc(C)c1F ZINC000799984386 586204437 /nfs/dbraw/zinc/20/44/37/586204437.db2.gz BPTFEKOIGWUJFK-LLVKDONJSA-N 0 0 238.302 3.866 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1cccc(C)c1F ZINC000799984387 586204362 /nfs/dbraw/zinc/20/43/62/586204362.db2.gz BPTFEKOIGWUJFK-NSHDSACASA-N 0 0 238.302 3.866 20 0 BHADRN CC(C)COCCSCCc1cccs1 ZINC000799987976 586204495 /nfs/dbraw/zinc/20/44/95/586204495.db2.gz PBPWMNGIRJGYEN-UHFFFAOYSA-N 0 0 244.425 3.696 20 0 BHADRN CCCC[C@@H](C)C(=O)Nc1ccc(COC)cc1 ZINC000799999309 586205104 /nfs/dbraw/zinc/20/51/04/586205104.db2.gz WUMJTQCFUVTRHQ-GFCCVEGCSA-N 0 0 249.354 3.598 20 0 BHADRN CCCC[C@H](C)C(=O)Nc1ccc(COC)cc1 ZINC000799999310 586205240 /nfs/dbraw/zinc/20/52/40/586205240.db2.gz WUMJTQCFUVTRHQ-LBPRGKRZSA-N 0 0 249.354 3.598 20 0 BHADRN CCCC(=O)O[C@@H](C)c1ccccc1SC ZINC000800010794 591802750 /nfs/dbraw/zinc/80/27/50/591802750.db2.gz FEOHOSDSVBVXNO-JTQLQIEISA-N 0 0 238.352 3.813 20 0 BHADRN CSc1ccccc1[C@H](C)OC(=O)C(C)C ZINC000800011604 591802799 /nfs/dbraw/zinc/80/27/99/591802799.db2.gz YEFJUAMYVFLHQH-JTQLQIEISA-N 0 0 238.352 3.669 20 0 BHADRN CSc1ccccc1[C@H](C)OC(=O)C1=CCC1 ZINC000800012020 591803671 /nfs/dbraw/zinc/80/36/71/591803671.db2.gz SFJCCEVQQXFEBV-JTQLQIEISA-N 0 0 248.347 3.733 20 0 BHADRN CCCC(=O)O[C@H](C)c1ccccc1SC ZINC000800023205 591804954 /nfs/dbraw/zinc/80/49/54/591804954.db2.gz FEOHOSDSVBVXNO-SNVBAGLBSA-N 0 0 238.352 3.813 20 0 BHADRN CSc1ccccc1[C@@H](C)OC(=O)C1=CCC1 ZINC000800024368 591805453 /nfs/dbraw/zinc/80/54/53/591805453.db2.gz SFJCCEVQQXFEBV-SNVBAGLBSA-N 0 0 248.347 3.733 20 0 BHADRN CSc1ccccc1[C@@H](C)OC(=O)C(C)C ZINC000800024628 591805797 /nfs/dbraw/zinc/80/57/97/591805797.db2.gz YEFJUAMYVFLHQH-SNVBAGLBSA-N 0 0 238.352 3.669 20 0 BHADRN CCCCCCC(=O)N1CCCC[C@@H]1C(F)F ZINC000800209160 591838755 /nfs/dbraw/zinc/83/87/55/591838755.db2.gz UBWJRUHACDXVDY-LLVKDONJSA-N 0 0 247.329 3.603 20 0 BHADRN CCCCCCC(=O)N1CCCC[C@H]1C(F)F ZINC000800209163 591839384 /nfs/dbraw/zinc/83/93/84/591839384.db2.gz UBWJRUHACDXVDY-NSHDSACASA-N 0 0 247.329 3.603 20 0 BHADRN CCCc1ccc(N[C@H](C)COC(C)C)cc1 ZINC000800224969 710840620 /nfs/dbraw/zinc/84/06/20/710840620.db2.gz HVNSHAAOHGYJPB-CYBMUJFWSA-N 0 0 235.371 3.865 20 0 BHADRN CCCc1ccc(N[C@@H](C)COC(C)C)cc1 ZINC000800224972 710840675 /nfs/dbraw/zinc/84/06/75/710840675.db2.gz HVNSHAAOHGYJPB-ZDUSSCGKSA-N 0 0 235.371 3.865 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@@H](C)c1cccnc1 ZINC000800273418 586207873 /nfs/dbraw/zinc/20/78/73/586207873.db2.gz DESGMOYGVMSRGB-NEPJUHHUSA-N 0 0 235.327 3.512 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@H](C)c1cccnc1 ZINC000800273419 586208008 /nfs/dbraw/zinc/20/80/08/586208008.db2.gz DESGMOYGVMSRGB-NWDGAFQWSA-N 0 0 235.327 3.512 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@@H](C)c1cccnc1 ZINC000800273420 586207820 /nfs/dbraw/zinc/20/78/20/586207820.db2.gz DESGMOYGVMSRGB-RYUDHWBXSA-N 0 0 235.327 3.512 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@H](C)c1cccnc1 ZINC000800273421 586208032 /nfs/dbraw/zinc/20/80/32/586208032.db2.gz DESGMOYGVMSRGB-VXGBXAGGSA-N 0 0 235.327 3.512 20 0 BHADRN CCCC[C@@H](C)C(=O)OCCCOC(C)(C)C ZINC000800274900 586208024 /nfs/dbraw/zinc/20/80/24/586208024.db2.gz YGHIFKOQOWQAKV-GFCCVEGCSA-N 0 0 244.375 3.561 20 0 BHADRN CCCC[C@H](C)C(=O)OCCCOC(C)(C)C ZINC000800274901 586207967 /nfs/dbraw/zinc/20/79/67/586207967.db2.gz YGHIFKOQOWQAKV-LBPRGKRZSA-N 0 0 244.375 3.561 20 0 BHADRN CCCC[C@@H](C)C(=O)OCc1ccc(C)nc1C ZINC000800275934 586208555 /nfs/dbraw/zinc/20/85/55/586208555.db2.gz JURFCUYJGAGOGV-LLVKDONJSA-N 0 0 249.354 3.568 20 0 BHADRN CCCC[C@H](C)C(=O)OCc1ccc(C)nc1C ZINC000800275935 586208429 /nfs/dbraw/zinc/20/84/29/586208429.db2.gz JURFCUYJGAGOGV-NSHDSACASA-N 0 0 249.354 3.568 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@@H](C)c1ccncc1 ZINC000800275950 586208348 /nfs/dbraw/zinc/20/83/48/586208348.db2.gz FRLAFCGCYDZIIW-NEPJUHHUSA-N 0 0 235.327 3.512 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@H](C)c1ccncc1 ZINC000800275951 586208346 /nfs/dbraw/zinc/20/83/46/586208346.db2.gz FRLAFCGCYDZIIW-NWDGAFQWSA-N 0 0 235.327 3.512 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@@H](C)c1ccncc1 ZINC000800275952 586208441 /nfs/dbraw/zinc/20/84/41/586208441.db2.gz FRLAFCGCYDZIIW-RYUDHWBXSA-N 0 0 235.327 3.512 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@H](C)c1ccncc1 ZINC000800275953 586208403 /nfs/dbraw/zinc/20/84/03/586208403.db2.gz FRLAFCGCYDZIIW-VXGBXAGGSA-N 0 0 235.327 3.512 20 0 BHADRN CCCC[C@@H](C)C(=O)OCCc1ccsc1 ZINC000800276295 586208347 /nfs/dbraw/zinc/20/83/47/586208347.db2.gz KWWCVCYBJPMSCP-LLVKDONJSA-N 0 0 240.368 3.660 20 0 BHADRN CCCC[C@H](C)C(=O)OCCc1ccsc1 ZINC000800276296 586208387 /nfs/dbraw/zinc/20/83/87/586208387.db2.gz KWWCVCYBJPMSCP-NSHDSACASA-N 0 0 240.368 3.660 20 0 BHADRN CCCC[C@@H](C)C(=O)OC[C@H](C)C(F)(F)F ZINC000800276549 586208639 /nfs/dbraw/zinc/20/86/39/586208639.db2.gz OLAQPLQHVQMALI-BDAKNGLRSA-N 0 0 240.265 3.554 20 0 BHADRN CCCC[C@H](C)C(=O)OC[C@@H](C)C(F)(F)F ZINC000800276550 586208537 /nfs/dbraw/zinc/20/85/37/586208537.db2.gz OLAQPLQHVQMALI-DTWKUNHWSA-N 0 0 240.265 3.554 20 0 BHADRN CCCC[C@H](C)C(=O)OC[C@H](C)C(F)(F)F ZINC000800276551 586208526 /nfs/dbraw/zinc/20/85/26/586208526.db2.gz OLAQPLQHVQMALI-IUCAKERBSA-N 0 0 240.265 3.554 20 0 BHADRN CCCC[C@@H](C)C(=O)OC[C@@H](C)C(F)(F)F ZINC000800276552 586208310 /nfs/dbraw/zinc/20/83/10/586208310.db2.gz OLAQPLQHVQMALI-RKDXNWHRSA-N 0 0 240.265 3.554 20 0 BHADRN CCCC[C@H](C)C(=O)OCc1cccs1 ZINC000800276984 586208279 /nfs/dbraw/zinc/20/82/79/586208279.db2.gz PINDTLIKWXKLPW-JTQLQIEISA-N 0 0 226.341 3.618 20 0 BHADRN CCCC[C@@H](C)C(=O)OCc1cccs1 ZINC000800276985 586208417 /nfs/dbraw/zinc/20/84/17/586208417.db2.gz PINDTLIKWXKLPW-SNVBAGLBSA-N 0 0 226.341 3.618 20 0 BHADRN CCCC[C@H](C)C(=O)OC/C(Cl)=C\Cl ZINC000800277060 586208485 /nfs/dbraw/zinc/20/84/85/586208485.db2.gz FULHYBMECHSSDK-CYXIBPNKSA-N 0 0 239.142 3.675 20 0 BHADRN CCCC[C@@H](C)C(=O)OC/C(Cl)=C\Cl ZINC000800277061 586208437 /nfs/dbraw/zinc/20/84/37/586208437.db2.gz FULHYBMECHSSDK-GTUWVTDSSA-N 0 0 239.142 3.675 20 0 BHADRN CCCC[C@H](C)C(=O)OC/C(Cl)=C/Cl ZINC000800277062 586208569 /nfs/dbraw/zinc/20/85/69/586208569.db2.gz FULHYBMECHSSDK-HWPCKVLBSA-N 0 0 239.142 3.675 20 0 BHADRN CCCC[C@@H](C)C(=O)OC/C(Cl)=C/Cl ZINC000800277063 586208524 /nfs/dbraw/zinc/20/85/24/586208524.db2.gz FULHYBMECHSSDK-WSQKDGNHSA-N 0 0 239.142 3.675 20 0 BHADRN CCCC[C@@H](C)C(=O)OCCc1cccs1 ZINC000800278094 586208453 /nfs/dbraw/zinc/20/84/53/586208453.db2.gz NJGDGELLEOYUTL-LLVKDONJSA-N 0 0 240.368 3.660 20 0 BHADRN CCCC[C@H](C)C(=O)OCCc1cccs1 ZINC000800278096 586208583 /nfs/dbraw/zinc/20/85/83/586208583.db2.gz NJGDGELLEOYUTL-NSHDSACASA-N 0 0 240.368 3.660 20 0 BHADRN CCCCCOC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800278694 586208978 /nfs/dbraw/zinc/20/89/78/586208978.db2.gz ARJNZXHNOONDLQ-JTQLQIEISA-N 0 0 234.286 3.545 20 0 BHADRN CCCCCOC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800278695 586208820 /nfs/dbraw/zinc/20/88/20/586208820.db2.gz ARJNZXHNOONDLQ-SNVBAGLBSA-N 0 0 234.286 3.545 20 0 BHADRN O=C(OCC1CCCC1)[C@@H]1CCCC(F)(F)C1 ZINC000800279463 586208900 /nfs/dbraw/zinc/20/89/00/586208900.db2.gz IMRZFTFLERCTSA-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(OCC1CCCC1)[C@H]1CCCC(F)(F)C1 ZINC000800279464 586208970 /nfs/dbraw/zinc/20/89/70/586208970.db2.gz IMRZFTFLERCTSA-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN CCC(CC)OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800279764 586209151 /nfs/dbraw/zinc/20/91/51/586209151.db2.gz NLOHTVSAASRJFJ-SECBINFHSA-N 0 0 234.286 3.544 20 0 BHADRN CCC(CC)OC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800279765 586209021 /nfs/dbraw/zinc/20/90/21/586209021.db2.gz NLOHTVSAASRJFJ-VIFPVBQESA-N 0 0 234.286 3.544 20 0 BHADRN CCCCCCOC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800280846 586208816 /nfs/dbraw/zinc/20/88/16/586208816.db2.gz BPQFTMIXTMSJID-LLVKDONJSA-N 0 0 248.313 3.935 20 0 BHADRN CCCCCCOC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800280853 586208971 /nfs/dbraw/zinc/20/89/71/586208971.db2.gz BPQFTMIXTMSJID-NSHDSACASA-N 0 0 248.313 3.935 20 0 BHADRN CC(C)(C)CCOC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800281316 586209174 /nfs/dbraw/zinc/20/91/74/586209174.db2.gz HFMSZAPTJSWWNG-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CC(C)(C)CCOC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800281317 586208831 /nfs/dbraw/zinc/20/88/31/586208831.db2.gz HFMSZAPTJSWWNG-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN CC/C=C\CCOC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800281593 586208877 /nfs/dbraw/zinc/20/88/77/586208877.db2.gz KNNGUERVLRMJAX-BYCRGOAPSA-N 0 0 246.297 3.711 20 0 BHADRN CC/C=C\CCOC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800281594 586208869 /nfs/dbraw/zinc/20/88/69/586208869.db2.gz KNNGUERVLRMJAX-DLRQAJBASA-N 0 0 246.297 3.711 20 0 BHADRN CC/C=C/CCOC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800281595 586208843 /nfs/dbraw/zinc/20/88/43/586208843.db2.gz KNNGUERVLRMJAX-PGLGOXFNSA-N 0 0 246.297 3.711 20 0 BHADRN CC/C=C/CCOC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800281596 586208934 /nfs/dbraw/zinc/20/89/34/586208934.db2.gz KNNGUERVLRMJAX-UFFNRZRYSA-N 0 0 246.297 3.711 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800282367 586209058 /nfs/dbraw/zinc/20/90/58/586209058.db2.gz QFBZJPJODCDMLW-NXEZZACHSA-N 0 0 234.286 3.544 20 0 BHADRN CCC[C@H](C)OC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800282369 586208835 /nfs/dbraw/zinc/20/88/35/586208835.db2.gz QFBZJPJODCDMLW-UWVGGRQHSA-N 0 0 234.286 3.544 20 0 BHADRN CCC[C@H](C)OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800282370 586208906 /nfs/dbraw/zinc/20/89/06/586208906.db2.gz QFBZJPJODCDMLW-VHSXEESVSA-N 0 0 234.286 3.544 20 0 BHADRN CCC[C@@H](C)OC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800282372 586208866 /nfs/dbraw/zinc/20/88/66/586208866.db2.gz QFBZJPJODCDMLW-ZJUUUORDSA-N 0 0 234.286 3.544 20 0 BHADRN CC(C)CCCOC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800282964 586208846 /nfs/dbraw/zinc/20/88/46/586208846.db2.gz UYWZGGBEJVWQQR-LLVKDONJSA-N 0 0 248.313 3.791 20 0 BHADRN CC(C)CCCOC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800282965 586209206 /nfs/dbraw/zinc/20/92/06/586209206.db2.gz UYWZGGBEJVWQQR-NSHDSACASA-N 0 0 248.313 3.791 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC1(C(F)F)CC1 ZINC000800336758 586212223 /nfs/dbraw/zinc/21/22/23/586212223.db2.gz CNTVGCFVOYKMML-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC1(C(F)F)CC1 ZINC000800336759 586212483 /nfs/dbraw/zinc/21/24/83/586212483.db2.gz CNTVGCFVOYKMML-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC1(C(F)F)CC1 ZINC000800337089 586211835 /nfs/dbraw/zinc/21/18/35/586211835.db2.gz REMQGMUUCAYCEY-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC1(C(F)F)CC1 ZINC000800337090 586212319 /nfs/dbraw/zinc/21/23/19/586212319.db2.gz REMQGMUUCAYCEY-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)CCCCCC(=O)NC1(C(F)F)CC1 ZINC000800337571 586212926 /nfs/dbraw/zinc/21/29/26/586212926.db2.gz KCDAWVQEYPGIIF-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC1(C(F)F)CC1 ZINC000800337992 586211867 /nfs/dbraw/zinc/21/18/67/586211867.db2.gz RFMHKNALZBSCOG-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC1(C(F)F)CC1 ZINC000800337993 586212558 /nfs/dbraw/zinc/21/25/58/586212558.db2.gz RFMHKNALZBSCOG-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)=CC(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000800373664 586213878 /nfs/dbraw/zinc/21/38/78/586213878.db2.gz DQJDKDSLHMMJNI-UHFFFAOYSA-N 0 0 247.338 3.594 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800386616 586214909 /nfs/dbraw/zinc/21/49/09/586214909.db2.gz KQWNCMJVNKBZCZ-GHMZBOCLSA-N 0 0 248.313 3.790 20 0 BHADRN CC(C)C[C@@H](C)OC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800386617 586214768 /nfs/dbraw/zinc/21/47/68/586214768.db2.gz KQWNCMJVNKBZCZ-MNOVXSKESA-N 0 0 248.313 3.790 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800386618 586214126 /nfs/dbraw/zinc/21/41/26/586214126.db2.gz KQWNCMJVNKBZCZ-QWRGUYRKSA-N 0 0 248.313 3.790 20 0 BHADRN CC(C)C[C@H](C)OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800386619 586214112 /nfs/dbraw/zinc/21/41/12/586214112.db2.gz KQWNCMJVNKBZCZ-WDEREUQCSA-N 0 0 248.313 3.790 20 0 BHADRN CCCC[C@@H](C)C(=O)Oc1cccc2[nH]ccc21 ZINC000800394423 586215888 /nfs/dbraw/zinc/21/58/88/586215888.db2.gz GOOUOPLPSGJODC-LLVKDONJSA-N 0 0 245.322 3.900 20 0 BHADRN CCCC[C@H](C)C(=O)Oc1cccc2[nH]ccc21 ZINC000800394429 586215793 /nfs/dbraw/zinc/21/57/93/586215793.db2.gz GOOUOPLPSGJODC-NSHDSACASA-N 0 0 245.322 3.900 20 0 BHADRN CCC(C)(C)COC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800395842 586216244 /nfs/dbraw/zinc/21/62/44/586216244.db2.gz YUOSZXDVKAPWMZ-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CCC(C)(C)COC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800395843 586216640 /nfs/dbraw/zinc/21/66/40/586216640.db2.gz YUOSZXDVKAPWMZ-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@H](C)C(=O)OCc1ccsc1 ZINC000800396042 586214737 /nfs/dbraw/zinc/21/47/37/586214737.db2.gz SZKDDQGDVPZKTC-JTQLQIEISA-N 0 0 226.341 3.618 20 0 BHADRN CCCC[C@@H](C)C(=O)OCc1ccsc1 ZINC000800396043 586215176 /nfs/dbraw/zinc/21/51/76/586215176.db2.gz SZKDDQGDVPZKTC-SNVBAGLBSA-N 0 0 226.341 3.618 20 0 BHADRN C[C@H](OC(=O)[C@@H]1CCCC(F)(F)C1)C1CCC1 ZINC000800396939 583995486 /nfs/dbraw/zinc/99/54/86/583995486.db2.gz KVKNTKMUKORDMG-GXSJLCMTSA-N 0 0 246.297 3.544 20 0 BHADRN C[C@@H](OC(=O)[C@H]1CCCC(F)(F)C1)C1CCC1 ZINC000800396940 583995346 /nfs/dbraw/zinc/99/53/46/583995346.db2.gz KVKNTKMUKORDMG-KOLCDFICSA-N 0 0 246.297 3.544 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1CCCC(F)(F)C1)C1CCC1 ZINC000800396941 583995284 /nfs/dbraw/zinc/99/52/84/583995284.db2.gz KVKNTKMUKORDMG-MWLCHTKSSA-N 0 0 246.297 3.544 20 0 BHADRN C[C@H](OC(=O)[C@H]1CCCC(F)(F)C1)C1CCC1 ZINC000800396942 583995155 /nfs/dbraw/zinc/99/51/55/583995155.db2.gz KVKNTKMUKORDMG-ONGXEEELSA-N 0 0 246.297 3.544 20 0 BHADRN CC1(OC(=O)[C@H]2CCCC(F)(F)C2)CCCC1 ZINC000800396997 586216511 /nfs/dbraw/zinc/21/65/11/586216511.db2.gz MQONGKGSBWBKMJ-JTQLQIEISA-N 0 0 246.297 3.688 20 0 BHADRN CC1(OC(=O)[C@@H]2CCCC(F)(F)C2)CCCC1 ZINC000800396999 586216650 /nfs/dbraw/zinc/21/66/50/586216650.db2.gz MQONGKGSBWBKMJ-SNVBAGLBSA-N 0 0 246.297 3.688 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800397872 586216564 /nfs/dbraw/zinc/21/65/64/586216564.db2.gz BBYOLVIJLGODGI-GHMZBOCLSA-N 0 0 248.313 3.934 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800397877 586216587 /nfs/dbraw/zinc/21/65/87/586216587.db2.gz BBYOLVIJLGODGI-MNOVXSKESA-N 0 0 248.313 3.934 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800397878 586216634 /nfs/dbraw/zinc/21/66/34/586216634.db2.gz BBYOLVIJLGODGI-QWRGUYRKSA-N 0 0 248.313 3.934 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800397880 586216376 /nfs/dbraw/zinc/21/63/76/586216376.db2.gz BBYOLVIJLGODGI-WDEREUQCSA-N 0 0 248.313 3.934 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800398826 586217123 /nfs/dbraw/zinc/21/71/23/586217123.db2.gz UQHJFHCQABIAAW-GHMZBOCLSA-N 0 0 248.313 3.934 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800398828 586216874 /nfs/dbraw/zinc/21/68/74/586216874.db2.gz UQHJFHCQABIAAW-MNOVXSKESA-N 0 0 248.313 3.934 20 0 BHADRN CCC[C@H](CC)OC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800398830 586217246 /nfs/dbraw/zinc/21/72/46/586217246.db2.gz UQHJFHCQABIAAW-QWRGUYRKSA-N 0 0 248.313 3.934 20 0 BHADRN CCC[C@@H](CC)OC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800398831 586217020 /nfs/dbraw/zinc/21/70/20/586217020.db2.gz UQHJFHCQABIAAW-WDEREUQCSA-N 0 0 248.313 3.934 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@H](C)c1ccco1 ZINC000800400763 586215983 /nfs/dbraw/zinc/21/59/83/586215983.db2.gz BYEZSKVSZIJCEF-GHMZBOCLSA-N 0 0 224.300 3.710 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@H](C)c1ccco1 ZINC000800400764 586215803 /nfs/dbraw/zinc/21/58/03/586215803.db2.gz BYEZSKVSZIJCEF-WDEREUQCSA-N 0 0 224.300 3.710 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@@H](C)c1ccco1 ZINC000800402022 586216243 /nfs/dbraw/zinc/21/62/43/586216243.db2.gz BYEZSKVSZIJCEF-MNOVXSKESA-N 0 0 224.300 3.710 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@@H](C)c1ccco1 ZINC000800402023 586216249 /nfs/dbraw/zinc/21/62/49/586216249.db2.gz BYEZSKVSZIJCEF-QWRGUYRKSA-N 0 0 224.300 3.710 20 0 BHADRN CCCC[C@@H](C)C(=O)OCCCC(F)(F)F ZINC000800402132 586217458 /nfs/dbraw/zinc/21/74/58/586217458.db2.gz VCIBTTSTEUVDEP-SECBINFHSA-N 0 0 240.265 3.698 20 0 BHADRN CCCC[C@H](C)C(=O)OCCCC(F)(F)F ZINC000800402135 586217546 /nfs/dbraw/zinc/21/75/46/586217546.db2.gz VCIBTTSTEUVDEP-VIFPVBQESA-N 0 0 240.265 3.698 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@H](C)c1cnccc1C ZINC000800402536 586217550 /nfs/dbraw/zinc/21/75/50/586217550.db2.gz KBBWZNITQGAIMG-CHWSQXEVSA-N 0 0 249.354 3.821 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@@H](C)c1cnccc1C ZINC000800402537 586217740 /nfs/dbraw/zinc/21/77/40/586217740.db2.gz KBBWZNITQGAIMG-OLZOCXBDSA-N 0 0 249.354 3.821 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@H](C)c1cnccc1C ZINC000800402538 586217442 /nfs/dbraw/zinc/21/74/42/586217442.db2.gz KBBWZNITQGAIMG-QWHCGFSZSA-N 0 0 249.354 3.821 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@@H](C)c1cnccc1C ZINC000800402539 586217700 /nfs/dbraw/zinc/21/77/00/586217700.db2.gz KBBWZNITQGAIMG-STQMWFEESA-N 0 0 249.354 3.821 20 0 BHADRN O=C(OCCC1CCC1)[C@@H]1CCCC(F)(F)C1 ZINC000800404582 586217501 /nfs/dbraw/zinc/21/75/01/586217501.db2.gz OACKVSPKDVCFNZ-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(OCCC1CCC1)[C@H]1CCCC(F)(F)C1 ZINC000800404583 586217756 /nfs/dbraw/zinc/21/77/56/586217756.db2.gz OACKVSPKDVCFNZ-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800409402 586218192 /nfs/dbraw/zinc/21/81/92/586218192.db2.gz KKMNYEGNQYFGEN-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800409403 586218148 /nfs/dbraw/zinc/21/81/48/586218148.db2.gz KKMNYEGNQYFGEN-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@H](C)COC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800409404 586218218 /nfs/dbraw/zinc/21/82/18/586218218.db2.gz KKMNYEGNQYFGEN-QWRGUYRKSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@H](C)COC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800409406 586218238 /nfs/dbraw/zinc/21/82/38/586218238.db2.gz KKMNYEGNQYFGEN-WDEREUQCSA-N 0 0 248.313 3.791 20 0 BHADRN CC1(COC(=O)[C@H]2CCCC(F)(F)C2)CCC1 ZINC000800409585 586218154 /nfs/dbraw/zinc/21/81/54/586218154.db2.gz NWIHOPSMGTUQSY-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CC1(COC(=O)[C@@H]2CCCC(F)(F)C2)CCC1 ZINC000800409587 586218330 /nfs/dbraw/zinc/21/83/30/586218330.db2.gz NWIHOPSMGTUQSY-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN CC1(CCOC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC000800410231 586218805 /nfs/dbraw/zinc/21/88/05/586218805.db2.gz WEVIKLLHSIYOMV-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CC1(CCOC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC000800410232 586218459 /nfs/dbraw/zinc/21/84/59/586218459.db2.gz WEVIKLLHSIYOMV-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN CCC(CC)COC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800412049 586218717 /nfs/dbraw/zinc/21/87/17/586218717.db2.gz BIPMFRRDUQQBAP-LLVKDONJSA-N 0 0 248.313 3.791 20 0 BHADRN CCC(CC)COC(=O)[C@H]1CCCC(F)(F)C1 ZINC000800412051 583995932 /nfs/dbraw/zinc/99/59/32/583995932.db2.gz BIPMFRRDUQQBAP-NSHDSACASA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@@H](C)C(=O)OC[C@@H]1CCC(F)(F)C1 ZINC000800413046 586218401 /nfs/dbraw/zinc/21/84/01/586218401.db2.gz VXHREQQXDRAGMQ-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@@H](C)C(=O)OC[C@H]1CCC(F)(F)C1 ZINC000800413047 586218993 /nfs/dbraw/zinc/21/89/93/586218993.db2.gz VXHREQQXDRAGMQ-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@H](C)C(=O)OC[C@H]1CCC(F)(F)C1 ZINC000800413048 586219235 /nfs/dbraw/zinc/21/92/35/586219235.db2.gz VXHREQQXDRAGMQ-QWRGUYRKSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@H](C)C(=O)OC[C@@H]1CCC(F)(F)C1 ZINC000800413049 586219641 /nfs/dbraw/zinc/21/96/41/586219641.db2.gz VXHREQQXDRAGMQ-WDEREUQCSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@@H](C)C(=O)OCC1(SC)CCC1 ZINC000800413261 586219437 /nfs/dbraw/zinc/21/94/37/586219437.db2.gz YFKRKNOPYHDPSI-LLVKDONJSA-N 0 0 244.400 3.642 20 0 BHADRN CCCC[C@H](C)C(=O)OCC1(SC)CCC1 ZINC000800413262 586219492 /nfs/dbraw/zinc/21/94/92/586219492.db2.gz YFKRKNOPYHDPSI-NSHDSACASA-N 0 0 244.400 3.642 20 0 BHADRN C[C@H](C(=O)OCC12CCC(CC1)C2)c1ccco1 ZINC000800456049 586220561 /nfs/dbraw/zinc/22/05/61/586220561.db2.gz BNBMTBBBSYFXOY-BZUNDVKYSA-N 0 0 248.322 3.507 20 0 BHADRN C[C@@H](C(=O)OCC12CCC(CC1)C2)c1ccco1 ZINC000800456051 586220445 /nfs/dbraw/zinc/22/04/45/586220445.db2.gz BNBMTBBBSYFXOY-XIKARTHZSA-N 0 0 248.322 3.507 20 0 BHADRN CC(F)(F)CCC(=O)OCC12CCC(CC1)C2 ZINC000800459737 586221654 /nfs/dbraw/zinc/22/16/54/586221654.db2.gz XTTYRNQTXPELER-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN Cc1cc(N(C)C)ccc1N[C@H]1CCC12CCC2 ZINC000800483448 586223097 /nfs/dbraw/zinc/22/30/97/586223097.db2.gz HXHNHURAZFOUED-HNNXBMFYSA-N 0 0 244.382 3.806 20 0 BHADRN Cc1cc(N(C)C)ccc1N[C@@H]1CCC12CCC2 ZINC000800483449 586222931 /nfs/dbraw/zinc/22/29/31/586222931.db2.gz HXHNHURAZFOUED-OAHLLOKOSA-N 0 0 244.382 3.806 20 0 BHADRN COc1ccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000800483973 586222618 /nfs/dbraw/zinc/22/26/18/586222618.db2.gz SBUVNPKKHRKGJN-DFBGVHRSSA-N 0 0 231.339 3.686 20 0 BHADRN COc1ccc(N[C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000800483982 586222888 /nfs/dbraw/zinc/22/28/88/586222888.db2.gz SBUVNPKKHRKGJN-NILFDRSVSA-N 0 0 231.339 3.686 20 0 BHADRN CCOc1ccc(N[C@H]2CCC23CCC3)cc1F ZINC000800484117 586222710 /nfs/dbraw/zinc/22/27/10/586222710.db2.gz MQWHGTWMOVIHJE-AWEZNQCLSA-N 0 0 249.329 3.969 20 0 BHADRN CCOc1ccc(N[C@@H]2CCC23CCC3)cc1F ZINC000800484118 586222557 /nfs/dbraw/zinc/22/25/57/586222557.db2.gz MQWHGTWMOVIHJE-CQSZACIVSA-N 0 0 249.329 3.969 20 0 BHADRN COc1ccc(N[C@@H]2CCC23CCC3)cc1F ZINC000800484412 586222948 /nfs/dbraw/zinc/22/29/48/586222948.db2.gz YSZGNOPHATUCID-CYBMUJFWSA-N 0 0 235.302 3.579 20 0 BHADRN COc1ccc(N[C@H]2CCC23CCC3)cc1F ZINC000800484413 586222731 /nfs/dbraw/zinc/22/27/31/586222731.db2.gz YSZGNOPHATUCID-ZDUSSCGKSA-N 0 0 235.302 3.579 20 0 BHADRN COc1ccc(N[C@@H]2CCC[C@H]3C[C@]32C)cc1F ZINC000800484550 586222769 /nfs/dbraw/zinc/22/27/69/586222769.db2.gz ZVURTWSMFCRZNF-COLVAYQJSA-N 0 0 249.329 3.825 20 0 BHADRN COc1ccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)cc1F ZINC000800484551 586222656 /nfs/dbraw/zinc/22/26/56/586222656.db2.gz ZVURTWSMFCRZNF-KMUNFCNLSA-N 0 0 249.329 3.825 20 0 BHADRN CCOc1ccc(N[C@H]2CCC23CCC3)cc1 ZINC000800484557 586222701 /nfs/dbraw/zinc/22/27/01/586222701.db2.gz ZYLAIYVOKYGFDX-AWEZNQCLSA-N 0 0 231.339 3.830 20 0 BHADRN CCOc1ccc(N[C@@H]2CCC23CCC3)cc1 ZINC000800484558 586223058 /nfs/dbraw/zinc/22/30/58/586223058.db2.gz ZYLAIYVOKYGFDX-CQSZACIVSA-N 0 0 231.339 3.830 20 0 BHADRN C[C@]12C[C@H]1CCC[C@@H]2Nc1ccc2c(c1)CCO2 ZINC000800486625 586222536 /nfs/dbraw/zinc/22/25/36/586222536.db2.gz NCHNUIUJCLXNTA-KCXAZCMYSA-N 0 0 243.350 3.612 20 0 BHADRN C[C@]12C[C@H]1CCC[C@H]2Nc1ccc2c(c1)CCO2 ZINC000800486628 586223042 /nfs/dbraw/zinc/22/30/42/586223042.db2.gz NCHNUIUJCLXNTA-WQVCFCJDSA-N 0 0 243.350 3.612 20 0 BHADRN CCCn1cc(N[C@H](C)c2cc(C)c(C)o2)cn1 ZINC000800487017 586223079 /nfs/dbraw/zinc/22/30/79/586223079.db2.gz XZMWQMXHNXGAKZ-LLVKDONJSA-N 0 0 247.342 3.676 20 0 BHADRN CCCn1cc(N[C@@H](C)c2cc(C)c(C)o2)cn1 ZINC000800487018 586223067 /nfs/dbraw/zinc/22/30/67/586223067.db2.gz XZMWQMXHNXGAKZ-NSHDSACASA-N 0 0 247.342 3.676 20 0 BHADRN COc1ccc(N[C@H]2CCC23CCC3)c(C)c1 ZINC000800487954 586222983 /nfs/dbraw/zinc/22/29/83/586222983.db2.gz MKHRGHSPCKRQPB-AWEZNQCLSA-N 0 0 231.339 3.748 20 0 BHADRN COc1ccc(N[C@@H]2CCC23CCC3)c(C)c1 ZINC000800487955 586222863 /nfs/dbraw/zinc/22/28/63/586222863.db2.gz MKHRGHSPCKRQPB-CQSZACIVSA-N 0 0 231.339 3.748 20 0 BHADRN CN(C)c1ccc(N[C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000800488030 586223011 /nfs/dbraw/zinc/22/30/11/586223011.db2.gz NNNMKRJOTPHEER-APHBMKBZSA-N 0 0 244.382 3.743 20 0 BHADRN CN(C)c1ccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000800488035 586223037 /nfs/dbraw/zinc/22/30/37/586223037.db2.gz NNNMKRJOTPHEER-WQVCFCJDSA-N 0 0 244.382 3.743 20 0 BHADRN c1cc2c(cc1N[C@H]1CCC13CCC3)CCCO2 ZINC000800488150 586222601 /nfs/dbraw/zinc/22/26/01/586222601.db2.gz JKPIRMRIIQFDFW-HNNXBMFYSA-N 0 0 243.350 3.756 20 0 BHADRN c1cc2c(cc1N[C@@H]1CCC13CCC3)CCCO2 ZINC000800488152 586222943 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/nfs/dbraw/zinc/99/80/82/583998082.db2.gz FUVXJPLKFSYYSI-YVLXSGLVSA-N 0 0 249.329 3.825 20 0 BHADRN COCc1ccc(N[C@H]2CCC23CCC3)cc1 ZINC000800490357 586222896 /nfs/dbraw/zinc/22/28/96/586222896.db2.gz DIXIBBUDINVPAP-AWEZNQCLSA-N 0 0 231.339 3.578 20 0 BHADRN COCc1ccc(N[C@@H]2CCC23CCC3)cc1 ZINC000800490358 586222562 /nfs/dbraw/zinc/22/25/62/586222562.db2.gz DIXIBBUDINVPAP-CQSZACIVSA-N 0 0 231.339 3.578 20 0 BHADRN COCc1ccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000800490570 586222606 /nfs/dbraw/zinc/22/26/06/586222606.db2.gz HWQFSTKKDYVTGR-BMFZPTHFSA-N 0 0 245.366 3.824 20 0 BHADRN COCc1ccc(N[C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000800490573 586222543 /nfs/dbraw/zinc/22/25/43/586222543.db2.gz HWQFSTKKDYVTGR-NUEKZKHPSA-N 0 0 245.366 3.824 20 0 BHADRN COc1cc(C)c(N[C@H]2CCC23CCC3)cc1F ZINC000800491076 586223946 /nfs/dbraw/zinc/22/39/46/586223946.db2.gz SGLAPYONEDYRTR-AWEZNQCLSA-N 0 0 249.329 3.887 20 0 BHADRN COc1cc(C)c(N[C@@H]2CCC23CCC3)cc1F ZINC000800491078 586223471 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244.375 3.561 20 0 BHADRN CC1(C)CC(COC(=O)c2ccoc2Cl)C1 ZINC000802293847 586302924 /nfs/dbraw/zinc/30/29/24/586302924.db2.gz WNDSKDXGPFXNED-UHFFFAOYSA-N 0 0 242.702 3.526 20 0 BHADRN C[C@H](CNc1cnn(C(C)(C)C)c1)C(C)(C)C ZINC000802648495 586307146 /nfs/dbraw/zinc/30/71/46/586307146.db2.gz ZMOSWZBZWIYAEQ-LLVKDONJSA-N 0 0 237.391 3.732 20 0 BHADRN C[C@@H](CNc1cnn(C(C)(C)C)c1)C(C)(C)C ZINC000802648506 586307123 /nfs/dbraw/zinc/30/71/23/586307123.db2.gz ZMOSWZBZWIYAEQ-NSHDSACASA-N 0 0 237.391 3.732 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc(OC(F)F)cc1F ZINC000802657577 586309192 /nfs/dbraw/zinc/30/91/92/586309192.db2.gz JGYWEFKZUSOWAC-MRVPVSSYSA-N 0 0 247.260 3.884 20 0 BHADRN CC(C)[C@H](C)Nc1ccc(OC(F)F)cc1F ZINC000802657578 586308578 /nfs/dbraw/zinc/30/85/78/586308578.db2.gz JGYWEFKZUSOWAC-QMMMGPOBSA-N 0 0 247.260 3.884 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc(OC(F)F)cc1F ZINC000802657671 586308456 /nfs/dbraw/zinc/30/84/56/586308456.db2.gz NCKGAEVYUBUFGK-GMSGAONNSA-N 0 0 245.244 3.638 20 0 BHADRN 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BHADRN C/C(=C/C(C)(C)C)C(=O)OCCSC(C)C ZINC000803443157 586356977 /nfs/dbraw/zinc/35/69/77/586356977.db2.gz DCQIACGGLBHPIC-LUAWRHEFSA-N 0 0 244.400 3.664 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)OCCSC(C)C ZINC000803443159 586356907 /nfs/dbraw/zinc/35/69/07/586356907.db2.gz DCQIACGGLBHPIC-PKNBQFBNSA-N 0 0 244.400 3.664 20 0 BHADRN CC(C)SCCOC(=O)C1=CCCCCC1 ZINC000803445623 586357099 /nfs/dbraw/zinc/35/70/99/586357099.db2.gz DXOFVAXDRSWDMD-UHFFFAOYSA-N 0 0 242.384 3.562 20 0 BHADRN CCc1cc(NC(=O)C[C@H](C)C2CC2)ccc1F ZINC000803447739 586356716 /nfs/dbraw/zinc/35/67/16/586356716.db2.gz ZGZZHCFFJGERIG-JTQLQIEISA-N 0 0 249.329 3.763 20 0 BHADRN CCc1cc(NC(=O)C[C@@H](C)C2CC2)ccc1F ZINC000803447740 586356912 /nfs/dbraw/zinc/35/69/12/586356912.db2.gz ZGZZHCFFJGERIG-SNVBAGLBSA-N 0 0 249.329 3.763 20 0 BHADRN CC(C)SCCOC(=O)C1(C)CCCCC1 ZINC000803451177 586356578 /nfs/dbraw/zinc/35/65/78/586356578.db2.gz FRXIUQPRTWTXHS-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN CC(C)C(C)(C)C(=O)OC[C@H]1Cc2ccccc21 ZINC000803453194 586357704 /nfs/dbraw/zinc/35/77/04/586357704.db2.gz CTHZMIZYBQWUSV-CYBMUJFWSA-N 0 0 246.350 3.552 20 0 BHADRN CC(C)C(C)(C)C(=O)OC[C@@H]1Cc2ccccc21 ZINC000803453195 586357235 /nfs/dbraw/zinc/35/72/35/586357235.db2.gz CTHZMIZYBQWUSV-ZDUSSCGKSA-N 0 0 246.350 3.552 20 0 BHADRN CC[C@@H](C)CC(=O)N1CCc2cc(C)c(C)cc21 ZINC000803459181 586358300 /nfs/dbraw/zinc/35/83/00/586358300.db2.gz RVRHIPLPXFEKJQ-LLVKDONJSA-N 0 0 245.366 3.629 20 0 BHADRN CC[C@H](C)CC(=O)N1CCc2cc(C)c(C)cc21 ZINC000803459183 586358672 /nfs/dbraw/zinc/35/86/72/586358672.db2.gz RVRHIPLPXFEKJQ-NSHDSACASA-N 0 0 245.366 3.629 20 0 BHADRN Cc1cc2c(cc1C)N(C(=O)CCC(C)C)CC2 ZINC000803460109 586358285 /nfs/dbraw/zinc/35/82/85/586358285.db2.gz BVUCYKYCZQBAHT-UHFFFAOYSA-N 0 0 245.366 3.629 20 0 BHADRN CCCCCC(=O)N1CCc2cc(C)c(C)cc21 ZINC000803460314 586358016 /nfs/dbraw/zinc/35/80/16/586358016.db2.gz HYNLVFREIZDPNW-UHFFFAOYSA-N 0 0 245.366 3.773 20 0 BHADRN Cc1cc2c(cc1C)N(C(=O)CC(C)(C)C)CC2 ZINC000803460867 586358633 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225.376 3.508 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@H]1CC[C@H]1C ZINC000803635465 586367560 /nfs/dbraw/zinc/36/75/60/586367560.db2.gz MKZOGNCOPHTJJJ-XQQFMLRXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@H]1C ZINC000803635466 586367613 /nfs/dbraw/zinc/36/76/13/586367613.db2.gz MKZOGNCOPHTJJJ-YNEHKIRRSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H]1CC[C@H]1C ZINC000803636535 586367847 /nfs/dbraw/zinc/36/78/47/586367847.db2.gz ZWXHELSZAYLKHY-AGIUHOORSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H]1CC[C@@H]1C ZINC000803636536 586367908 /nfs/dbraw/zinc/36/79/08/586367908.db2.gz ZWXHELSZAYLKHY-AVGNSLFASA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H]1CC[C@H]1C ZINC000803636537 586368459 /nfs/dbraw/zinc/36/84/59/586368459.db2.gz ZWXHELSZAYLKHY-FRRDWIJNSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H]1CC[C@@H]1C ZINC000803636538 586368462 /nfs/dbraw/zinc/36/84/62/586368462.db2.gz ZWXHELSZAYLKHY-RWMBFGLXSA-N 0 0 225.376 3.508 20 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CC[C@H]1CC[C@@H]1Nc1cc(F)c(OC)cc1C ZINC000806160904 586406181 /nfs/dbraw/zinc/40/61/81/586406181.db2.gz WGMNQZKUNDTGHP-JQWIXIFHSA-N 0 0 237.318 3.743 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1cc(F)c(OC)cc1C ZINC000806160906 586406134 /nfs/dbraw/zinc/40/61/34/586406134.db2.gz WGMNQZKUNDTGHP-PWSUYJOCSA-N 0 0 237.318 3.743 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1cc(F)c(OC)cc1C ZINC000806160907 586406063 /nfs/dbraw/zinc/40/60/63/586406063.db2.gz WGMNQZKUNDTGHP-ZYHUDNBSSA-N 0 0 237.318 3.743 20 0 BHADRN CC(C)Cn1ncc(N[C@H]2CC[C@@H]2C)c1C1CC1 ZINC000806181946 586407545 /nfs/dbraw/zinc/40/75/45/586407545.db2.gz RZHCVUYKHIUACA-AAEUAGOBSA-N 0 0 247.386 3.627 20 0 BHADRN CC(C)Cn1ncc(N[C@@H]2CC[C@H]2C)c1C1CC1 ZINC000806181947 586407335 /nfs/dbraw/zinc/40/73/35/586407335.db2.gz RZHCVUYKHIUACA-DGCLKSJQSA-N 0 0 247.386 3.627 20 0 BHADRN CC(C)Cn1ncc(N[C@@H]2CC[C@@H]2C)c1C1CC1 ZINC000806181949 586407287 /nfs/dbraw/zinc/40/72/87/586407287.db2.gz RZHCVUYKHIUACA-WCQYABFASA-N 0 0 247.386 3.627 20 0 BHADRN CC(C)Cn1ncc(N[C@H]2CC[C@H]2C)c1C1CC1 ZINC000806181951 586407568 /nfs/dbraw/zinc/40/75/68/586407568.db2.gz RZHCVUYKHIUACA-YPMHNXCESA-N 0 0 247.386 3.627 20 0 BHADRN Cc1cc2[nH]c(C(=O)OCC(C)C)cc2c(C)c1 ZINC000806250147 644851308 /nfs/dbraw/zinc/85/13/08/644851308.db2.gz NHLDXGHHCNAJRP-UHFFFAOYSA-N 0 0 245.322 3.598 20 0 BHADRN C/C=C\COC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000806250280 644851269 /nfs/dbraw/zinc/85/12/69/644851269.db2.gz QFYHWPKSLBRQTE-PLNGDYQASA-N 0 0 243.306 3.518 20 0 BHADRN C/C=C/COC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000806250282 644851336 /nfs/dbraw/zinc/85/13/36/644851336.db2.gz QFYHWPKSLBRQTE-SNAWJCMRSA-N 0 0 243.306 3.518 20 0 BHADRN C/C=C\COC(=O)c1oc2ccc(F)cc2c1C ZINC000806257289 586408058 /nfs/dbraw/zinc/40/80/58/586408058.db2.gz FWFKTIREVUNGRT-ARJAWSKDSA-N 0 0 248.253 3.613 20 0 BHADRN C/C=C/COC(=O)c1oc2ccc(F)cc2c1C ZINC000806257290 586407684 /nfs/dbraw/zinc/40/76/84/586407684.db2.gz FWFKTIREVUNGRT-ONEGZZNKSA-N 0 0 248.253 3.613 20 0 BHADRN CC(C)(C(=O)NC1CCCCCCC1)C1CC1 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/nfs/dbraw/zinc/50/37/46/586503746.db2.gz SQEQVEMAWFBKFQ-RVROTUBLSA-N 0 0 237.387 3.770 20 0 BHADRN CCC(=CC(=O)N(CC)C(CC)CC)CC ZINC000809334571 586503731 /nfs/dbraw/zinc/50/37/31/586503731.db2.gz SUKPZYNGIVOUOQ-UHFFFAOYSA-N 0 0 225.376 3.770 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(CC)C(CC)CC ZINC000809334635 586503595 /nfs/dbraw/zinc/50/35/95/586503595.db2.gz WBWJLABUIJSDST-QXMHVHEDSA-N 0 0 225.376 3.770 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(CC)C(CC)CC ZINC000809334636 586503485 /nfs/dbraw/zinc/50/34/85/586503485.db2.gz WBWJLABUIJSDST-VAWYXSNFSA-N 0 0 225.376 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)C(CC)CC ZINC000809334916 586503586 /nfs/dbraw/zinc/50/35/86/586503586.db2.gz INMJONWDNNQYCI-QXMHVHEDSA-N 0 0 225.376 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)C(CC)CC ZINC000809334917 586503781 /nfs/dbraw/zinc/50/37/81/586503781.db2.gz INMJONWDNNQYCI-VAWYXSNFSA-N 0 0 225.376 3.770 20 0 BHADRN CCC(CC)N(CC)C(=O)CSC(C)(C)C ZINC000809335315 586503555 /nfs/dbraw/zinc/50/35/55/586503555.db2.gz VBCOHSSUJKJEPD-UHFFFAOYSA-N 0 0 245.432 3.555 20 0 BHADRN CCCCCCC(=O)N(CC)C(CC)CC ZINC000809335372 586503488 /nfs/dbraw/zinc/50/34/88/586503488.db2.gz XRMCVSWFFAALKN-UHFFFAOYSA-N 0 0 227.392 3.994 20 0 BHADRN CC(C)(C)c1cc(N2CCCCCCC2)ncn1 ZINC000809342670 586503720 /nfs/dbraw/zinc/50/37/20/586503720.db2.gz OMUQXSJTPXDNQT-UHFFFAOYSA-N 0 0 247.386 3.545 20 0 BHADRN CC(C)[C@@H](F)c1nc(CC2CCCCC2)no1 ZINC000809351401 586504227 /nfs/dbraw/zinc/50/42/27/586504227.db2.gz WNWKTFOIRNKNBR-GFCCVEGCSA-N 0 0 240.322 3.859 20 0 BHADRN CC(C)[C@H](F)c1nc(CC2CCCCC2)no1 ZINC000809351402 586504094 /nfs/dbraw/zinc/50/40/94/586504094.db2.gz WNWKTFOIRNKNBR-LBPRGKRZSA-N 0 0 240.322 3.859 20 0 BHADRN CCC[C@H](C)c1noc(-c2cc(C)cc(C)n2)n1 ZINC000809358407 586504222 /nfs/dbraw/zinc/50/42/22/586504222.db2.gz CUGCIVCLMOWXGE-JTQLQIEISA-N 0 0 245.326 3.652 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cc(C)cc(C)n2)n1 ZINC000809358410 586504146 /nfs/dbraw/zinc/50/41/46/586504146.db2.gz CUGCIVCLMOWXGE-SNVBAGLBSA-N 0 0 245.326 3.652 20 0 BHADRN CCC[C@@H](C)c1noc(-c2occ3c2CCC3)n1 ZINC000809358411 586504144 /nfs/dbraw/zinc/50/41/44/586504144.db2.gz CVLFSMQPJPTDLA-SECBINFHSA-N 0 0 246.310 3.722 20 0 BHADRN CCC[C@H](C)c1noc(-c2occ3c2CCC3)n1 ZINC000809358416 585179189 /nfs/dbraw/zinc/17/91/89/585179189.db2.gz CVLFSMQPJPTDLA-VIFPVBQESA-N 0 0 246.310 3.722 20 0 BHADRN CCC[C@@H](C)c1noc([C@H]2CCC(F)(F)C2)n1 ZINC000809358417 585179003 /nfs/dbraw/zinc/17/90/03/585179003.db2.gz CWVYAIJKTQEONE-BDAKNGLRSA-N 0 0 244.285 3.876 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CCC(F)(F)C2)n1 ZINC000809358425 585179246 /nfs/dbraw/zinc/17/92/46/585179246.db2.gz CWVYAIJKTQEONE-DTWKUNHWSA-N 0 0 244.285 3.876 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CCC(F)(F)C2)n1 ZINC000809358427 585179105 /nfs/dbraw/zinc/17/91/05/585179105.db2.gz CWVYAIJKTQEONE-IUCAKERBSA-N 0 0 244.285 3.876 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H]2CCC(F)(F)C2)n1 ZINC000809358429 585178990 /nfs/dbraw/zinc/17/89/90/585178990.db2.gz CWVYAIJKTQEONE-RKDXNWHRSA-N 0 0 244.285 3.876 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccoc2CC)n1 ZINC000809358501 586504007 /nfs/dbraw/zinc/50/40/07/586504007.db2.gz DWGLQJWBQKFQPT-SECBINFHSA-N 0 0 234.299 3.796 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccoc2CC)n1 ZINC000809358505 586504053 /nfs/dbraw/zinc/50/40/53/586504053.db2.gz DWGLQJWBQKFQPT-VIFPVBQESA-N 0 0 234.299 3.796 20 0 BHADRN CCC[C@@H](C)c1noc(-c2coc(C3CC3)n2)n1 ZINC000809358832 586504084 /nfs/dbraw/zinc/50/40/84/586504084.db2.gz IXTBZACKHPOYPQ-MRVPVSSYSA-N 0 0 247.298 3.506 20 0 BHADRN CCC[C@H](C)c1noc(-c2coc(C3CC3)n2)n1 ZINC000809358833 586504203 /nfs/dbraw/zinc/50/42/03/586504203.db2.gz IXTBZACKHPOYPQ-QMMMGPOBSA-N 0 0 247.298 3.506 20 0 BHADRN CCC[C@@H](C)c1noc(C2(SC)CCC2)n1 ZINC000809358967 586504234 /nfs/dbraw/zinc/50/42/34/586504234.db2.gz JNDGBWASALKLMF-SECBINFHSA-N 0 0 240.372 3.715 20 0 BHADRN CCC[C@H](C)c1noc(C2(SC)CCC2)n1 ZINC000809358968 586504037 /nfs/dbraw/zinc/50/40/37/586504037.db2.gz JNDGBWASALKLMF-VIFPVBQESA-N 0 0 240.372 3.715 20 0 BHADRN CCC[C@@H](C)c1noc(C2(F)CCCC2)n1 ZINC000809359038 586504043 /nfs/dbraw/zinc/50/40/43/586504043.db2.gz LOHQTXKSHWCNDX-SECBINFHSA-N 0 0 226.295 3.712 20 0 BHADRN CCC[C@H](C)c1noc(C2(F)CCCC2)n1 ZINC000809359039 586504040 /nfs/dbraw/zinc/50/40/40/586504040.db2.gz LOHQTXKSHWCNDX-VIFPVBQESA-N 0 0 226.295 3.712 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H](F)C(C)C)n1 ZINC000809359125 586504035 /nfs/dbraw/zinc/50/40/35/586504035.db2.gz MFKHCYDZVXKLLK-BDAKNGLRSA-N 0 0 214.284 3.640 20 0 BHADRN CCC[C@H](C)c1noc([C@H](F)C(C)C)n1 ZINC000809359131 586503985 /nfs/dbraw/zinc/50/39/85/586503985.db2.gz MFKHCYDZVXKLLK-DTWKUNHWSA-N 0 0 214.284 3.640 20 0 BHADRN CCC[C@H](C)c1noc([C@@H](F)C(C)C)n1 ZINC000809359133 586504005 /nfs/dbraw/zinc/50/40/05/586504005.db2.gz MFKHCYDZVXKLLK-IUCAKERBSA-N 0 0 214.284 3.640 20 0 BHADRN CCC[C@@H](C)c1noc([C@H](F)C(C)C)n1 ZINC000809359134 586504038 /nfs/dbraw/zinc/50/40/38/586504038.db2.gz MFKHCYDZVXKLLK-RKDXNWHRSA-N 0 0 214.284 3.640 20 0 BHADRN CCC[C@@H](C)c1noc(C2CC(C)(C)C2)n1 ZINC000809359147 585181194 /nfs/dbraw/zinc/18/11/94/585181194.db2.gz MLUIBNVOLHGGHU-SECBINFHSA-N 0 0 222.332 3.877 20 0 BHADRN CCC[C@H](C)c1noc(C2CC(C)(C)C2)n1 ZINC000809359151 585181295 /nfs/dbraw/zinc/18/12/95/585181295.db2.gz MLUIBNVOLHGGHU-VIFPVBQESA-N 0 0 222.332 3.877 20 0 BHADRN CCC[C@@H](C)c1noc([C@H]2CCC(C)(C)O2)n1 ZINC000809359360 586504454 /nfs/dbraw/zinc/50/44/54/586504454.db2.gz NVDZPUSPJNRDOL-NXEZZACHSA-N 0 0 238.331 3.603 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CCC(C)(C)O2)n1 ZINC000809359363 586504555 /nfs/dbraw/zinc/50/45/55/586504555.db2.gz NVDZPUSPJNRDOL-UWVGGRQHSA-N 0 0 238.331 3.603 20 0 BHADRN CCC[C@H](C)c1noc([C@H]2CCC(C)(C)O2)n1 ZINC000809359364 586504529 /nfs/dbraw/zinc/50/45/29/586504529.db2.gz NVDZPUSPJNRDOL-VHSXEESVSA-N 0 0 238.331 3.603 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H]2CCC(C)(C)O2)n1 ZINC000809359365 586504401 /nfs/dbraw/zinc/50/44/01/586504401.db2.gz NVDZPUSPJNRDOL-ZJUUUORDSA-N 0 0 238.331 3.603 20 0 BHADRN CCC[C@@H](C)c1noc(C[C@H]2C=CCCC2)n1 ZINC000809359376 586504524 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/nfs/dbraw/zinc/50/45/10/586504510.db2.gz FRSQHORZXZNZSB-HBNTYKKESA-N 0 0 222.332 3.733 20 0 BHADRN CCC[C@H](C)c1noc(C2=CCCCC2)n1 ZINC000809360990 586504516 /nfs/dbraw/zinc/50/45/16/586504516.db2.gz GGFKHTIIZPTJMZ-JTQLQIEISA-N 0 0 220.316 3.931 20 0 BHADRN CCC[C@@H](C)c1noc(C2=CCCCC2)n1 ZINC000809360991 586504498 /nfs/dbraw/zinc/50/44/98/586504498.db2.gz GGFKHTIIZPTJMZ-SNVBAGLBSA-N 0 0 220.316 3.931 20 0 BHADRN CCC[C@@H](C)c1noc(C(C)(C)C(F)F)n1 ZINC000809361054 586504438 /nfs/dbraw/zinc/50/44/38/586504438.db2.gz IHGMYPRHXOMRJK-SSDOTTSWSA-N 0 0 232.274 3.516 20 0 BHADRN CCC[C@H](C)c1noc(C(C)(C)C(F)F)n1 ZINC000809361055 586504549 /nfs/dbraw/zinc/50/45/49/586504549.db2.gz IHGMYPRHXOMRJK-ZETCQYMHSA-N 0 0 232.274 3.516 20 0 BHADRN CCCc1nc(-c2nc([C@H](C)CCC)no2)co1 ZINC000809361193 586504462 /nfs/dbraw/zinc/50/44/62/586504462.db2.gz MMPNMYQBRUGOGE-SECBINFHSA-N 0 0 249.314 3.581 20 0 BHADRN CCCc1nc(-c2nc([C@@H](C)CCC)no2)co1 ZINC000809361194 586504466 /nfs/dbraw/zinc/50/44/66/586504466.db2.gz MMPNMYQBRUGOGE-VIFPVBQESA-N 0 0 249.314 3.581 20 0 BHADRN CCC[C@@H](C)c1noc(C[C@H](C)CC)n1 ZINC000809361888 586504525 /nfs/dbraw/zinc/50/45/25/586504525.db2.gz ZHOOIMXVCJXBFE-NXEZZACHSA-N 0 0 210.321 3.562 20 0 BHADRN CCC[C@H](C)c1noc(C[C@@H](C)CC)n1 ZINC000809361889 586504330 /nfs/dbraw/zinc/50/43/30/586504330.db2.gz ZHOOIMXVCJXBFE-UWVGGRQHSA-N 0 0 210.321 3.562 20 0 BHADRN CCC[C@@H](C)c1noc(C[C@@H](C)CC)n1 ZINC000809361890 586504488 /nfs/dbraw/zinc/50/44/88/586504488.db2.gz ZHOOIMXVCJXBFE-VHSXEESVSA-N 0 0 210.321 3.562 20 0 BHADRN CCC[C@H](C)c1noc(C[C@H](C)CC)n1 ZINC000809361891 586504483 /nfs/dbraw/zinc/50/44/83/586504483.db2.gz ZHOOIMXVCJXBFE-ZJUUUORDSA-N 0 0 210.321 3.562 20 0 BHADRN CCCCCCC(=O)NC1(C(F)F)CCCC1 ZINC000809373269 586505135 /nfs/dbraw/zinc/50/51/35/586505135.db2.gz WLFANFACEYETPI-UHFFFAOYSA-N 0 0 247.329 3.651 20 0 BHADRN Cc1cc(C)cc(OC(=O)OC2CCCC2)c1 ZINC000809386034 586504839 /nfs/dbraw/zinc/50/48/39/586504839.db2.gz YHIHREZLWLEHPP-UHFFFAOYSA-N 0 0 234.295 3.761 20 0 BHADRN Cc1cccc(OC(=O)OC2CCCC2)c1C ZINC000809386460 586504996 /nfs/dbraw/zinc/50/49/96/586504996.db2.gz RSOSTYPQHVRMKE-UHFFFAOYSA-N 0 0 234.295 3.761 20 0 BHADRN O=C(Oc1ccc2c(c1)CCC2)OC1CCCC1 ZINC000809386734 586504998 /nfs/dbraw/zinc/50/49/98/586504998.db2.gz YHKXMNNMMXMLGY-UHFFFAOYSA-N 0 0 246.306 3.633 20 0 BHADRN CS/C=C\C(=O)N(C)c1ccccc1C(C)C ZINC000809389354 586505449 /nfs/dbraw/zinc/50/54/49/586505449.db2.gz DTIGDHRJIVBADV-KTKRTIGZSA-N 0 0 249.379 3.650 20 0 BHADRN CS/C=C/C(=O)N(C)c1ccccc1C(C)C ZINC000809389355 586505230 /nfs/dbraw/zinc/50/52/30/586505230.db2.gz DTIGDHRJIVBADV-MDZDMXLPSA-N 0 0 249.379 3.650 20 0 BHADRN CC(C)=CC(=O)N(C)c1ccccc1C(C)C ZINC000809389513 586505269 /nfs/dbraw/zinc/50/52/69/586505269.db2.gz ILNMRWJFNVUCBU-UHFFFAOYSA-N 0 0 231.339 3.739 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)/C=C\C1CC1 ZINC000809389695 586505255 /nfs/dbraw/zinc/50/52/55/586505255.db2.gz NUCZEGONOYRIIA-KHPPLWFESA-N 0 0 243.350 3.739 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)/C=C/C1CC1 ZINC000809389696 586505340 /nfs/dbraw/zinc/50/53/40/586505340.db2.gz NUCZEGONOYRIIA-ZHACJKMWSA-N 0 0 243.350 3.739 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)C(C)(C)F ZINC000809389962 586505207 /nfs/dbraw/zinc/50/52/07/586505207.db2.gz YKVPLDXUSHMJLR-UHFFFAOYSA-N 0 0 237.318 3.521 20 0 BHADRN CC(C)c1ccccc1N(C)C(=O)C=C1CCC1 ZINC000809390312 586505467 /nfs/dbraw/zinc/50/54/67/586505467.db2.gz MOWZKFBJLKLYFQ-UHFFFAOYSA-N 0 0 243.350 3.883 20 0 BHADRN C/C=C/C=C\C(=O)N(C)c1ccccc1C(C)C ZINC000809390329 586505555 /nfs/dbraw/zinc/50/55/55/586505555.db2.gz NPDPFZMQLZFFNE-DFTQQVSXSA-N 0 0 243.350 3.905 20 0 BHADRN C/C=C/C=C/C(=O)N(C)c1ccccc1C(C)C ZINC000809390330 586505324 /nfs/dbraw/zinc/50/53/24/586505324.db2.gz NPDPFZMQLZFFNE-DVIJZSFDSA-N 0 0 243.350 3.905 20 0 BHADRN C/C=C(/C)C(=O)N(C)c1ccccc1C(C)C ZINC000809391263 586505280 /nfs/dbraw/zinc/50/52/80/586505280.db2.gz RMFFCLMIVXZVEA-SDQBBNPISA-N 0 0 231.339 3.739 20 0 BHADRN C/C=C(\C)C(=O)N(C)c1ccccc1C(C)C ZINC000809391265 586503926 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20 0 BHADRN CC[C@@H](c1ccccc1)N1Cc2ccncc2C1 ZINC000809564685 644892477 /nfs/dbraw/zinc/89/24/77/644892477.db2.gz CYHWXPBAZFAINW-INIZCTEOSA-N 0 0 238.334 3.549 20 0 BHADRN CC[C@H](c1ccccc1)N1Cc2ccncc2C1 ZINC000809564686 644892019 /nfs/dbraw/zinc/89/20/19/644892019.db2.gz CYHWXPBAZFAINW-MRXNPFEDSA-N 0 0 238.334 3.549 20 0 BHADRN CSC1(CN2CCCc3cc(C)ccc32)CC1 ZINC000809634862 586510475 /nfs/dbraw/zinc/51/04/75/586510475.db2.gz AIDKJKLICPTZBW-UHFFFAOYSA-N 0 0 247.407 3.643 20 0 BHADRN c1ccc2c(c1)CCCCN2C[C@@H]1CCC=CO1 ZINC000809665354 586511478 /nfs/dbraw/zinc/51/14/78/586511478.db2.gz SFTNFVKIXHCSHT-HNNXBMFYSA-N 0 0 243.350 3.522 20 0 BHADRN c1ccc2c(c1)CCCCN2C[C@H]1CCC=CO1 ZINC000809665356 586511372 /nfs/dbraw/zinc/51/13/72/586511372.db2.gz SFTNFVKIXHCSHT-OAHLLOKOSA-N 0 0 243.350 3.522 20 0 BHADRN c1cc(CN2CCCCc3ccccc32)co1 ZINC000809665674 586511707 /nfs/dbraw/zinc/51/17/07/586511707.db2.gz YSRFJOKEMNDRFR-UHFFFAOYSA-N 0 0 227.307 3.623 20 0 BHADRN CCc1cc(NC2CC(C(F)F)C2)ccc1F ZINC000809692297 586513273 /nfs/dbraw/zinc/51/32/73/586513273.db2.gz STIITBMZQTZBRD-UHFFFAOYSA-N 0 0 243.272 3.844 20 0 BHADRN COc1ccc2cc(NC[C@H]3C[C@H]3C)ccc2c1 ZINC000809692720 586513476 /nfs/dbraw/zinc/51/34/76/586513476.db2.gz FNSHVLXJLHSVTM-BXUZGUMPSA-N 0 0 241.334 3.916 20 0 BHADRN COc1ccc2cc(NC[C@@H]3C[C@@H]3C)ccc2c1 ZINC000809692721 586513620 /nfs/dbraw/zinc/51/36/20/586513620.db2.gz FNSHVLXJLHSVTM-FZMZJTMJSA-N 0 0 241.334 3.916 20 0 BHADRN COc1ccc2cc(NC[C@@H]3C[C@H]3C)ccc2c1 ZINC000809692722 586513457 /nfs/dbraw/zinc/51/34/57/586513457.db2.gz FNSHVLXJLHSVTM-RISCZKNCSA-N 0 0 241.334 3.916 20 0 BHADRN COc1ccc2cc(NC[C@H]3C[C@@H]3C)ccc2c1 ZINC000809692723 586513123 /nfs/dbraw/zinc/51/31/23/586513123.db2.gz FNSHVLXJLHSVTM-SMDDNHRTSA-N 0 0 241.334 3.916 20 0 BHADRN CSC1(CN2CCc3cc(C)c(C)cc32)CC1 ZINC000809694128 586513255 /nfs/dbraw/zinc/51/32/55/586513255.db2.gz KRAFHNNBDGFMEJ-UHFFFAOYSA-N 0 0 247.407 3.562 20 0 BHADRN Cc1ccc(OC(=O)c2cc(F)ccc2C)cc1 ZINC000809703319 586514054 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CCCC[C@@H](C)N(C)C(=O)/C=C(/C)CCC ZINC000811958078 586569042 /nfs/dbraw/zinc/56/90/42/586569042.db2.gz RNQAGRFLQKEDFE-YLGBQOPLSA-N 0 0 225.376 3.770 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)/C=C(\C)CCC ZINC000811958079 586569081 /nfs/dbraw/zinc/56/90/81/586569081.db2.gz RNQAGRFLQKEDFE-YLSINNKHSA-N 0 0 225.376 3.770 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)/C=C\c1ccccc1 ZINC000811958694 711462381 /nfs/dbraw/zinc/46/23/81/711462381.db2.gz FTSHNMMHEVVGAR-DINCDJDBSA-N 0 0 245.366 3.737 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)/C=C/c1ccccc1 ZINC000811958695 711462551 /nfs/dbraw/zinc/46/25/51/711462551.db2.gz FTSHNMMHEVVGAR-FNDVETGQSA-N 0 0 245.366 3.737 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)/C=C\c1ccccc1 ZINC000811958697 711462479 /nfs/dbraw/zinc/46/24/79/711462479.db2.gz FTSHNMMHEVVGAR-WUFNSSIPSA-N 0 0 245.366 3.737 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)/C=C/c1ccccc1 ZINC000811958698 711462521 /nfs/dbraw/zinc/46/25/21/711462521.db2.gz FTSHNMMHEVVGAR-XTZCOPOCSA-N 0 0 245.366 3.737 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)/C=C/C(C)(C)C ZINC000811958726 582495543 /nfs/dbraw/zinc/49/55/43/582495543.db2.gz GMJIRPSQPHKEIE-HCRIHEDKSA-N 0 0 225.376 3.626 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)/C=C/C(C)(C)C ZINC000811958727 582495649 /nfs/dbraw/zinc/49/56/49/582495649.db2.gz GMJIRPSQPHKEIE-IIANPFDCSA-N 0 0 225.376 3.626 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)/C=C\C(C)(C)C ZINC000811958729 582495568 /nfs/dbraw/zinc/49/55/68/582495568.db2.gz GMJIRPSQPHKEIE-NLYDNYMLSA-N 0 0 225.376 3.626 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)/C=C\C(C)(C)C ZINC000811958730 582495577 /nfs/dbraw/zinc/49/55/77/582495577.db2.gz GMJIRPSQPHKEIE-WEHUKYGOSA-N 0 0 225.376 3.626 20 0 BHADRN CCCCCCC(=O)N(C)[C@H](C)CCCC ZINC000811958977 586569065 /nfs/dbraw/zinc/56/90/65/586569065.db2.gz IPMPUROEIYNNDC-CYBMUJFWSA-N 0 0 227.392 3.994 20 0 BHADRN CCCCCCC(=O)N(C)[C@@H](C)CCCC ZINC000811958983 586569105 /nfs/dbraw/zinc/56/91/05/586569105.db2.gz IPMPUROEIYNNDC-ZDUSSCGKSA-N 0 0 227.392 3.994 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)C=C(C1CC1)C1CC1 ZINC000811959979 586569166 /nfs/dbraw/zinc/56/91/66/586569166.db2.gz LNLAOQFWMYGMCN-GFCCVEGCSA-N 0 0 249.398 3.770 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C=C(C1CC1)C1CC1 ZINC000811959980 586569063 /nfs/dbraw/zinc/56/90/63/586569063.db2.gz LNLAOQFWMYGMCN-LBPRGKRZSA-N 0 0 249.398 3.770 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)CSC(C)(C)C ZINC000811960187 586568984 /nfs/dbraw/zinc/56/89/84/586568984.db2.gz QLNCWJXQXBQSQJ-LLVKDONJSA-N 0 0 245.432 3.555 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)CSC(C)(C)C ZINC000811960188 586569165 /nfs/dbraw/zinc/56/91/65/586569165.db2.gz QLNCWJXQXBQSQJ-NSHDSACASA-N 0 0 245.432 3.555 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)C=C1CCCC1 ZINC000811960281 586568983 /nfs/dbraw/zinc/56/89/83/586568983.db2.gz SIIVSOMAEZGPNZ-GFCCVEGCSA-N 0 0 223.360 3.524 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C=C1CCCC1 ZINC000811960282 586569007 /nfs/dbraw/zinc/56/90/07/586569007.db2.gz SIIVSOMAEZGPNZ-LBPRGKRZSA-N 0 0 223.360 3.524 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)C1(F)CCCCC1 ZINC000811960369 586568971 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HPZXYBHQEQKVCJ-CYBMUJFWSA-N 0 0 242.407 3.787 20 0 BHADRN CCCCCCNC(=O)N(C)[C@@H](C)CCCC ZINC000811990402 586569186 /nfs/dbraw/zinc/56/91/86/586569186.db2.gz HPZXYBHQEQKVCJ-ZDUSSCGKSA-N 0 0 242.407 3.787 20 0 BHADRN CCCCCCNC(=O)N(CC)C(CC)CC ZINC000811991156 586568962 /nfs/dbraw/zinc/56/89/62/586568962.db2.gz WDHKFJAAWCPEBB-UHFFFAOYSA-N 0 0 242.407 3.787 20 0 BHADRN c1ccc([C@@H]2C[C@H]2CSC2=NCCS2)cc1 ZINC000812249097 586572450 /nfs/dbraw/zinc/57/24/50/586572450.db2.gz WHGWNIRHWBPUQC-RYUDHWBXSA-N 0 0 249.404 3.626 20 0 BHADRN COCC1(CSC(C)(C)C(C)C)CCC1 ZINC000812251602 586572523 /nfs/dbraw/zinc/57/25/23/586572523.db2.gz YXJCNKOKAWHMPT-UHFFFAOYSA-N 0 0 230.417 3.971 20 0 BHADRN COCC1(CSC/C(C)=C\Cl)CCC1 ZINC000812251811 586572404 /nfs/dbraw/zinc/57/24/04/586572404.db2.gz GTVOLFYNWFFYPW-POHAHGRESA-N 0 0 234.792 3.679 20 0 BHADRN COCC1(CSC/C(C)=C/Cl)CCC1 ZINC000812251812 586572438 /nfs/dbraw/zinc/57/24/38/586572438.db2.gz GTVOLFYNWFFYPW-UXBLZVDNSA-N 0 0 234.792 3.679 20 0 BHADRN 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/nfs/dbraw/zinc/71/51/03/586715103.db2.gz YGLHWVGAQYUYST-UHFFFAOYSA-N 0 0 236.311 3.602 20 0 BHADRN Cc1cc(COC(=O)[C@@H](C)CC(C)(C)C)co1 ZINC000816242415 586715292 /nfs/dbraw/zinc/71/52/92/586715292.db2.gz GQFQPXFHUZGZMK-JTQLQIEISA-N 0 0 238.327 3.704 20 0 BHADRN Cc1cc(COC(=O)[C@H](C)CC(C)(C)C)co1 ZINC000816242416 586715194 /nfs/dbraw/zinc/71/51/94/586715194.db2.gz GQFQPXFHUZGZMK-SNVBAGLBSA-N 0 0 238.327 3.704 20 0 BHADRN CCC(CC)(CC)C(=O)OCc1coc(C)c1 ZINC000816242473 586715195 /nfs/dbraw/zinc/71/51/95/586715195.db2.gz IYKGJXIQYBENQQ-UHFFFAOYSA-N 0 0 238.327 3.848 20 0 BHADRN CCCCCCC(=O)OCc1coc(C)c1 ZINC000816242683 586715197 /nfs/dbraw/zinc/71/51/97/586715197.db2.gz QWZSKWBEUUCKFK-UHFFFAOYSA-N 0 0 224.300 3.602 20 0 BHADRN Cc1cc(COC(=O)c2ccoc2C(C)C)co1 ZINC000816242966 586715179 /nfs/dbraw/zinc/71/51/79/586715179.db2.gz BOOQWOXSPHBFCE-UHFFFAOYSA-N 0 0 248.278 3.661 20 0 BHADRN Cc1cc(COC(=O)CC2CCCCC2)co1 ZINC000816243598 586715128 /nfs/dbraw/zinc/71/51/28/586715128.db2.gz YOXYWZYFGOPSGM-UHFFFAOYSA-N 0 0 236.311 3.602 20 0 BHADRN Cc1cc(COC(=O)C2=CCCCCC2)co1 ZINC000816243787 586715208 /nfs/dbraw/zinc/71/52/08/586715208.db2.gz GVNKGFFLJHOCHJ-UHFFFAOYSA-N 0 0 234.295 3.522 20 0 BHADRN Cc1cc(COC(=O)C(C)(C)CC(C)C)co1 ZINC000816243883 586714929 /nfs/dbraw/zinc/71/49/29/586714929.db2.gz KQHWPCBCYCCHQO-UHFFFAOYSA-N 0 0 238.327 3.704 20 0 BHADRN Cc1cc(COC(=O)c2occc2C(C)C)co1 ZINC000816244071 586715229 /nfs/dbraw/zinc/71/52/29/586715229.db2.gz SJGCKVPPTCLKPI-UHFFFAOYSA-N 0 0 248.278 3.661 20 0 BHADRN Cc1cc(COC(=O)C(C)(C)C(C)(C)C)co1 ZINC000816244187 586715512 /nfs/dbraw/zinc/71/55/12/586715512.db2.gz XMBTYALZYQEFMB-UHFFFAOYSA-N 0 0 238.327 3.704 20 0 BHADRN Cc1cc(COC(=O)C2(C)CCCCC2)co1 ZINC000816244789 586715603 /nfs/dbraw/zinc/71/56/03/586715603.db2.gz WDCWFMVFPNBKJG-UHFFFAOYSA-N 0 0 236.311 3.602 20 0 BHADRN C/C(=C/C(=O)OCc1coc(C)c1)C(C)(C)C ZINC000816245057 586715565 /nfs/dbraw/zinc/71/55/65/586715565.db2.gz ILYBHSVSXZCTRX-POHAHGRESA-N 0 0 236.311 3.624 20 0 BHADRN C/C(=C\C(=O)OCc1coc(C)c1)C(C)(C)C ZINC000816245058 586715501 /nfs/dbraw/zinc/71/55/01/586715501.db2.gz ILYBHSVSXZCTRX-UXBLZVDNSA-N 0 0 236.311 3.624 20 0 BHADRN CCC[C@@H](C(=O)OCc1coc(C)c1)C(C)C ZINC000816245139 586715583 /nfs/dbraw/zinc/71/55/83/586715583.db2.gz LPAPFAALUYNIDC-CYBMUJFWSA-N 0 0 238.327 3.704 20 0 BHADRN CCC[C@H](C(=O)OCc1coc(C)c1)C(C)C ZINC000816245140 586715614 /nfs/dbraw/zinc/71/56/14/586715614.db2.gz LPAPFAALUYNIDC-ZDUSSCGKSA-N 0 0 238.327 3.704 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCc1coc(C)c1 ZINC000816245207 586715412 /nfs/dbraw/zinc/71/54/12/586715412.db2.gz NVIZWPPISIVWHZ-LLVKDONJSA-N 0 0 238.327 3.704 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCc1coc(C)c1 ZINC000816245208 586715386 /nfs/dbraw/zinc/71/53/86/586715386.db2.gz NVIZWPPISIVWHZ-NSHDSACASA-N 0 0 238.327 3.704 20 0 BHADRN CC(C(=O)OCc1coc(C)c1)=C1CCCC1 ZINC000816245214 586715414 /nfs/dbraw/zinc/71/54/14/586715414.db2.gz OCUMMLZAAWOZTP-UHFFFAOYSA-N 0 0 234.295 3.522 20 0 BHADRN Cc1cc(COC(=O)CC2=CCCCC2)co1 ZINC000816245365 586715534 /nfs/dbraw/zinc/71/55/34/586715534.db2.gz UDIBFHFEAUAEOC-UHFFFAOYSA-N 0 0 234.295 3.522 20 0 BHADRN Cc1cc(COC(=O)CC2(C)CCCC2)co1 ZINC000816245411 586715618 /nfs/dbraw/zinc/71/56/18/586715618.db2.gz VHRDVYKOIADXIK-UHFFFAOYSA-N 0 0 236.311 3.602 20 0 BHADRN CCCC1(C(=O)OCc2coc(C)c2)CCC1 ZINC000816245679 586715545 /nfs/dbraw/zinc/71/55/45/586715545.db2.gz GFEMZWUISZSUFZ-UHFFFAOYSA-N 0 0 236.311 3.602 20 0 BHADRN CCC[C@](C)(CC)C(=O)OCc1coc(C)c1 ZINC000816245684 586715608 /nfs/dbraw/zinc/71/56/08/586715608.db2.gz GLLNZYXEOKDSNS-AWEZNQCLSA-N 0 0 238.327 3.848 20 0 BHADRN CCC[C@@](C)(CC)C(=O)OCc1coc(C)c1 ZINC000816245685 586715477 /nfs/dbraw/zinc/71/54/77/586715477.db2.gz GLLNZYXEOKDSNS-CQSZACIVSA-N 0 0 238.327 3.848 20 0 BHADRN Cc1cc(COC(=O)C2CCCCCC2)co1 ZINC000816245929 586715797 /nfs/dbraw/zinc/71/57/97/586715797.db2.gz QIJMSGZCABINJU-UHFFFAOYSA-N 0 0 236.311 3.602 20 0 BHADRN CCC1(C(=O)OCc2coc(C)c2)CCCC1 ZINC000816245946 586715777 /nfs/dbraw/zinc/71/57/77/586715777.db2.gz RLWBOYSMEMROQJ-UHFFFAOYSA-N 0 0 236.311 3.602 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)OCc1coc(C)c1 ZINC000816246527 586715659 /nfs/dbraw/zinc/71/56/59/586715659.db2.gz OGYPCBOZBTYODV-JXMROGBWSA-N 0 0 236.311 3.624 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)OCc1coc(C)c1 ZINC000816246528 586715801 /nfs/dbraw/zinc/71/58/01/586715801.db2.gz OGYPCBOZBTYODV-YFHOEESVSA-N 0 0 236.311 3.624 20 0 BHADRN O=C(CCC1CCC1)OC[C@H]1CCCC1(F)F ZINC000816387261 586724211 /nfs/dbraw/zinc/72/42/11/586724211.db2.gz ATJCRILTNHUJHV-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CCC1CCC1)OC[C@@H]1CCCC1(F)F ZINC000816387262 586724233 /nfs/dbraw/zinc/72/42/33/586724233.db2.gz ATJCRILTNHUJHV-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CC1CCCC1)OC[C@H]1CCCC1(F)F ZINC000816387307 586724073 /nfs/dbraw/zinc/72/40/73/586724073.db2.gz BXLKDFBZZWOQJZ-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CC1CCCC1)OC[C@@H]1CCCC1(F)F ZINC000816387308 586724118 /nfs/dbraw/zinc/72/41/18/586724118.db2.gz BXLKDFBZZWOQJZ-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN C[C@H](C(=O)OC[C@H]1CCCC1(F)F)C(C)(C)C ZINC000816388102 586724139 /nfs/dbraw/zinc/72/41/39/586724139.db2.gz WGWXUHGJPYOKQC-NXEZZACHSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@@H](C(=O)OC[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000816388103 586724187 /nfs/dbraw/zinc/72/41/87/586724187.db2.gz WGWXUHGJPYOKQC-UWVGGRQHSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@@H](C(=O)OC[C@H]1CCCC1(F)F)C(C)(C)C ZINC000816388104 586724169 /nfs/dbraw/zinc/72/41/69/586724169.db2.gz WGWXUHGJPYOKQC-VHSXEESVSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@H](C(=O)OC[C@@H]1CCCC1(F)F)C(C)(C)C ZINC000816388105 584979646 /nfs/dbraw/zinc/97/96/46/584979646.db2.gz WGWXUHGJPYOKQC-ZJUUUORDSA-N 0 0 248.313 3.647 20 0 BHADRN CCC(C)(C)CC(=O)OC[C@@H]1CCCC1(F)F ZINC000816388199 586724083 /nfs/dbraw/zinc/72/40/83/586724083.db2.gz YVXAFSAIAZXZOC-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CCC(C)(C)CC(=O)OC[C@H]1CCCC1(F)F ZINC000816388200 586724098 /nfs/dbraw/zinc/72/40/98/586724098.db2.gz YVXAFSAIAZXZOC-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN CCC(CC)CC(=O)OC[C@H]1CCCC1(F)F ZINC000816388246 586724100 /nfs/dbraw/zinc/72/41/00/586724100.db2.gz ZZNKTLSDOJPWME-LLVKDONJSA-N 0 0 248.313 3.791 20 0 BHADRN CCC(CC)CC(=O)OC[C@@H]1CCCC1(F)F ZINC000816388247 586724227 /nfs/dbraw/zinc/72/42/27/586724227.db2.gz ZZNKTLSDOJPWME-NSHDSACASA-N 0 0 248.313 3.791 20 0 BHADRN CC(C)C(C)(C)C(=O)OC[C@@H]1CCCC1(F)F ZINC000816388486 586724217 /nfs/dbraw/zinc/72/42/17/586724217.db2.gz HHHCJSPOXZHJPC-JTQLQIEISA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)C(C)(C)C(=O)OC[C@H]1CCCC1(F)F ZINC000816388487 586724114 /nfs/dbraw/zinc/72/41/14/586724114.db2.gz HHHCJSPOXZHJPC-SNVBAGLBSA-N 0 0 248.313 3.647 20 0 BHADRN O=C(CCCC1CC1)OC[C@H]1CCCC1(F)F ZINC000816388685 586723904 /nfs/dbraw/zinc/72/39/04/586723904.db2.gz MHNPAYORWGMODC-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CCCC1CC1)OC[C@@H]1CCCC1(F)F ZINC000816388686 586724016 /nfs/dbraw/zinc/72/40/16/586724016.db2.gz MHNPAYORWGMODC-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN CCC(=CC(=O)OC[C@H]1CCCC1(F)F)CC ZINC000816388774 586724112 /nfs/dbraw/zinc/72/41/12/586724112.db2.gz PHYKBRFFUKCQCU-LLVKDONJSA-N 0 0 246.297 3.711 20 0 BHADRN CCC(=CC(=O)OC[C@@H]1CCCC1(F)F)CC ZINC000816388775 586724263 /nfs/dbraw/zinc/72/42/63/586724263.db2.gz PHYKBRFFUKCQCU-NSHDSACASA-N 0 0 246.297 3.711 20 0 BHADRN CCCCCCC(=O)OC[C@H]1CCCC1(F)F ZINC000816389406 586724281 /nfs/dbraw/zinc/72/42/81/586724281.db2.gz GLQVVINCNJALLG-LLVKDONJSA-N 0 0 248.313 3.935 20 0 BHADRN CCCCCCC(=O)OC[C@@H]1CCCC1(F)F ZINC000816389407 586723909 /nfs/dbraw/zinc/72/39/09/586723909.db2.gz GLQVVINCNJALLG-NSHDSACASA-N 0 0 248.313 3.935 20 0 BHADRN CC1(C(=O)OC[C@@H]2CCCC2(F)F)CCCC1 ZINC000816389578 586724591 /nfs/dbraw/zinc/72/45/91/586724591.db2.gz LEMXOSOSXHLIJU-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CC1(C(=O)OC[C@H]2CCCC2(F)F)CCCC1 ZINC000816389579 586724487 /nfs/dbraw/zinc/72/44/87/586724487.db2.gz LEMXOSOSXHLIJU-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(OC[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000816390895 586724810 /nfs/dbraw/zinc/72/48/10/586724810.db2.gz RWHFNRUERRQNGG-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(OC[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000816390896 586724673 /nfs/dbraw/zinc/72/46/73/586724673.db2.gz RWHFNRUERRQNGG-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OC[C@@H]1CCCC1(F)F ZINC000816391790 586724702 /nfs/dbraw/zinc/72/47/02/586724702.db2.gz MMQVIBKQABVKQS-AXFHLTTASA-N 0 0 248.313 3.647 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OC[C@@H]1CCCC1(F)F ZINC000816391791 586724633 /nfs/dbraw/zinc/72/46/33/586724633.db2.gz MMQVIBKQABVKQS-DCAQKATOSA-N 0 0 248.313 3.647 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)OC[C@H]1CCCC1(F)F ZINC000816391792 586724565 /nfs/dbraw/zinc/72/45/65/586724565.db2.gz MMQVIBKQABVKQS-GARJFASQSA-N 0 0 248.313 3.647 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)OC[C@H]1CCCC1(F)F ZINC000816391793 586724404 /nfs/dbraw/zinc/72/44/04/586724404.db2.gz MMQVIBKQABVKQS-HBNTYKKESA-N 0 0 248.313 3.647 20 0 BHADRN CCC1(C(=O)OC[C@@H]2CCCC2(F)F)CCC1 ZINC000816391823 586724474 /nfs/dbraw/zinc/72/44/74/586724474.db2.gz NDRLLRJGJKEMBM-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CCC1(C(=O)OC[C@H]2CCCC2(F)F)CCC1 ZINC000816391824 586724494 /nfs/dbraw/zinc/72/44/94/586724494.db2.gz NDRLLRJGJKEMBM-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN CCCCCC(=O)OC[C@@H]1CCCC1(F)F ZINC000816393677 586724567 /nfs/dbraw/zinc/72/45/67/586724567.db2.gz CADHMHXTXHNVGS-JTQLQIEISA-N 0 0 234.286 3.545 20 0 BHADRN CCCCCC(=O)OC[C@H]1CCCC1(F)F ZINC000816393678 586724639 /nfs/dbraw/zinc/72/46/39/586724639.db2.gz CADHMHXTXHNVGS-SNVBAGLBSA-N 0 0 234.286 3.545 20 0 BHADRN CC(C)C[C@@H](C)C(=O)OC[C@H]1CCCC1(F)F ZINC000816393751 586724716 /nfs/dbraw/zinc/72/47/16/586724716.db2.gz DOBDAULIQJGBPB-GHMZBOCLSA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)C[C@@H](C)C(=O)OC[C@@H]1CCCC1(F)F ZINC000816393752 586724575 /nfs/dbraw/zinc/72/45/75/586724575.db2.gz DOBDAULIQJGBPB-MNOVXSKESA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)C[C@H](C)C(=O)OC[C@@H]1CCCC1(F)F ZINC000816393753 586724789 /nfs/dbraw/zinc/72/47/89/586724789.db2.gz DOBDAULIQJGBPB-QWRGUYRKSA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)C[C@H](C)C(=O)OC[C@H]1CCCC1(F)F ZINC000816393754 586724699 /nfs/dbraw/zinc/72/46/99/586724699.db2.gz DOBDAULIQJGBPB-WDEREUQCSA-N 0 0 248.313 3.647 20 0 BHADRN CC[C@@H](C)CCC(=O)OC[C@H]1CCCC1(F)F ZINC000816394206 586724625 /nfs/dbraw/zinc/72/46/25/586724625.db2.gz OVQFAXLVGVJSKM-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@@H](C)CCC(=O)OC[C@@H]1CCCC1(F)F ZINC000816394207 586724515 /nfs/dbraw/zinc/72/45/15/586724515.db2.gz OVQFAXLVGVJSKM-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@H](C)CCC(=O)OC[C@@H]1CCCC1(F)F ZINC000816394208 586724685 /nfs/dbraw/zinc/72/46/85/586724685.db2.gz OVQFAXLVGVJSKM-QWRGUYRKSA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@H](C)CCC(=O)OC[C@H]1CCCC1(F)F ZINC000816394209 586724618 /nfs/dbraw/zinc/72/46/18/586724618.db2.gz OVQFAXLVGVJSKM-WDEREUQCSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@@H](C)C(=O)OC[C@H]1CCCC1(F)F ZINC000816394447 586724827 /nfs/dbraw/zinc/72/48/27/586724827.db2.gz UFGPNFXYRNVJME-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@@H](C)C(=O)OC[C@@H]1CCCC1(F)F ZINC000816394448 586724812 /nfs/dbraw/zinc/72/48/12/586724812.db2.gz UFGPNFXYRNVJME-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@H](C)C(=O)OC[C@@H]1CCCC1(F)F ZINC000816394449 586724747 /nfs/dbraw/zinc/72/47/47/586724747.db2.gz UFGPNFXYRNVJME-QWRGUYRKSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@H](C)C(=O)OC[C@H]1CCCC1(F)F ZINC000816394450 586724440 /nfs/dbraw/zinc/72/44/40/586724440.db2.gz UFGPNFXYRNVJME-WDEREUQCSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@@H](C)CC(=O)OC[C@H]1CCCC1(F)F ZINC000816394515 586724830 /nfs/dbraw/zinc/72/48/30/586724830.db2.gz VOMXQODHZLCIKY-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@@H](C)CC(=O)OC[C@@H]1CCCC1(F)F ZINC000816394516 586724705 /nfs/dbraw/zinc/72/47/05/586724705.db2.gz VOMXQODHZLCIKY-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@H](C)CC(=O)OC[C@@H]1CCCC1(F)F ZINC000816394517 586724471 /nfs/dbraw/zinc/72/44/71/586724471.db2.gz VOMXQODHZLCIKY-QWRGUYRKSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@H](C)CC(=O)OC[C@H]1CCCC1(F)F ZINC000816394518 586724578 /nfs/dbraw/zinc/72/45/78/586724578.db2.gz VOMXQODHZLCIKY-WDEREUQCSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC1(C(=O)OC[C@@H]2CCCC2(F)F)CC1 ZINC000816394632 586724616 /nfs/dbraw/zinc/72/46/16/586724616.db2.gz XORXNMZPFLGCMP-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CCCC1(C(=O)OC[C@H]2CCCC2(F)F)CC1 ZINC000816394633 586724753 /nfs/dbraw/zinc/72/47/53/586724753.db2.gz XORXNMZPFLGCMP-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN CC(C)(C)/C=C\C(=O)OC[C@H]1CCCC1(F)F ZINC000816394842 586725429 /nfs/dbraw/zinc/72/54/29/586725429.db2.gz BZUWOUWQSDXACM-BJPMOSCESA-N 0 0 246.297 3.567 20 0 BHADRN CC(C)(C)/C=C/C(=O)OC[C@@H]1CCCC1(F)F ZINC000816394843 586725249 /nfs/dbraw/zinc/72/52/49/586725249.db2.gz BZUWOUWQSDXACM-PCGIRMHASA-N 0 0 246.297 3.567 20 0 BHADRN CC(C)(C)/C=C/C(=O)OC[C@H]1CCCC1(F)F ZINC000816394844 586725418 /nfs/dbraw/zinc/72/54/18/586725418.db2.gz BZUWOUWQSDXACM-QEHWCHDUSA-N 0 0 246.297 3.567 20 0 BHADRN CC(C)(C)/C=C\C(=O)OC[C@@H]1CCCC1(F)F ZINC000816394845 586725246 /nfs/dbraw/zinc/72/52/46/586725246.db2.gz BZUWOUWQSDXACM-ZEBCKKTISA-N 0 0 246.297 3.567 20 0 BHADRN CC(C)(C)CCC(=O)OC[C@@H]1CCCC1(F)F ZINC000816395297 586725125 /nfs/dbraw/zinc/72/51/25/586725125.db2.gz NFEVHQHNHNHGLD-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CC(C)(C)CCC(=O)OC[C@H]1CCCC1(F)F ZINC000816395298 586725108 /nfs/dbraw/zinc/72/51/08/586725108.db2.gz NFEVHQHNHNHGLD-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN CCC/C(C)=C\C(=O)OC[C@H]1CCCC1(F)F ZINC000816396238 586725391 /nfs/dbraw/zinc/72/53/91/586725391.db2.gz IIOJISOWZFGZSK-HIJJYWJESA-N 0 0 246.297 3.711 20 0 BHADRN CCC/C(C)=C\C(=O)OC[C@@H]1CCCC1(F)F ZINC000816396239 586725340 /nfs/dbraw/zinc/72/53/40/586725340.db2.gz IIOJISOWZFGZSK-IEHMKBBKSA-N 0 0 246.297 3.711 20 0 BHADRN CCC/C(C)=C/C(=O)OC[C@H]1CCCC1(F)F ZINC000816396240 586725374 /nfs/dbraw/zinc/72/53/74/586725374.db2.gz IIOJISOWZFGZSK-RJCSOLBVSA-N 0 0 246.297 3.711 20 0 BHADRN CCC/C(C)=C/C(=O)OC[C@@H]1CCCC1(F)F ZINC000816396241 586725046 /nfs/dbraw/zinc/72/50/46/586725046.db2.gz IIOJISOWZFGZSK-UQSGXBNBSA-N 0 0 246.297 3.711 20 0 BHADRN CCC(C)(CC)C(=O)OC[C@@H]1CCCC1(F)F ZINC000816397566 586725006 /nfs/dbraw/zinc/72/50/06/586725006.db2.gz MIAJBXVRLSOACC-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CCC(C)(CC)C(=O)OC[C@H]1CCCC1(F)F ZINC000816397567 586725357 /nfs/dbraw/zinc/72/53/57/586725357.db2.gz MIAJBXVRLSOACC-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@@H](CC)CC(=O)OC[C@H]1CC1(F)F ZINC000816414574 586726129 /nfs/dbraw/zinc/72/61/29/586726129.db2.gz ADWOFLQRKXPXAN-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@@H](CC)CC(=O)OC[C@@H]1CC1(F)F ZINC000816414575 586726377 /nfs/dbraw/zinc/72/63/77/586726377.db2.gz ADWOFLQRKXPXAN-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@H](CC)CC(=O)OC[C@@H]1CC1(F)F ZINC000816414576 586726251 /nfs/dbraw/zinc/72/62/51/586726251.db2.gz ADWOFLQRKXPXAN-QWRGUYRKSA-N 0 0 248.313 3.791 20 0 BHADRN CCCC[C@H](CC)CC(=O)OC[C@H]1CC1(F)F ZINC000816414577 586725030 /nfs/dbraw/zinc/72/50/30/586725030.db2.gz ADWOFLQRKXPXAN-WDEREUQCSA-N 0 0 248.313 3.791 20 0 BHADRN CCCCCC[C@@H](C)C(=O)OC[C@H]1CC1(F)F ZINC000816415252 586726376 /nfs/dbraw/zinc/72/63/76/586726376.db2.gz PMOTVOILMIQIBP-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CCCCCC[C@@H](C)C(=O)OC[C@@H]1CC1(F)F ZINC000816415253 586726364 /nfs/dbraw/zinc/72/63/64/586726364.db2.gz PMOTVOILMIQIBP-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CCCCCC[C@H](C)C(=O)OC[C@@H]1CC1(F)F ZINC000816415254 586726306 /nfs/dbraw/zinc/72/63/06/586726306.db2.gz PMOTVOILMIQIBP-QWRGUYRKSA-N 0 0 248.313 3.791 20 0 BHADRN CCCCCC[C@H](C)C(=O)OC[C@H]1CC1(F)F ZINC000816415255 586726381 /nfs/dbraw/zinc/72/63/81/586726381.db2.gz PMOTVOILMIQIBP-WDEREUQCSA-N 0 0 248.313 3.791 20 0 BHADRN O=C(OC[C@H]1CC1(F)F)C1CCCCCCC1 ZINC000816417243 586726824 /nfs/dbraw/zinc/72/68/24/586726824.db2.gz MYIHBOKCSNFCGR-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(OC[C@@H]1CC1(F)F)C1CCCCCCC1 ZINC000816417244 586726608 /nfs/dbraw/zinc/72/66/08/586726608.db2.gz MYIHBOKCSNFCGR-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CCCC1CCCC1)OC[C@H]1CC1(F)F ZINC000816417676 586727074 /nfs/dbraw/zinc/72/70/74/586727074.db2.gz WMGXGEUBBFSKCZ-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CCCC1CCCC1)OC[C@@H]1CC1(F)F ZINC000816417677 586727637 /nfs/dbraw/zinc/72/76/37/586727637.db2.gz WMGXGEUBBFSKCZ-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN CCCCC[C@@H](CC)C(=O)OC[C@H]1CC1(F)F ZINC000816418474 586727353 /nfs/dbraw/zinc/72/73/53/586727353.db2.gz PASPOTFTVCAEND-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CCCCC[C@@H](CC)C(=O)OC[C@@H]1CC1(F)F ZINC000816418475 586727427 /nfs/dbraw/zinc/72/74/27/586727427.db2.gz PASPOTFTVCAEND-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CCCCC[C@H](CC)C(=O)OC[C@@H]1CC1(F)F ZINC000816418476 586727509 /nfs/dbraw/zinc/72/75/09/586727509.db2.gz PASPOTFTVCAEND-QWRGUYRKSA-N 0 0 248.313 3.791 20 0 BHADRN CCCCC[C@H](CC)C(=O)OC[C@H]1CC1(F)F ZINC000816418477 586727721 /nfs/dbraw/zinc/72/77/21/586727721.db2.gz PASPOTFTVCAEND-WDEREUQCSA-N 0 0 248.313 3.791 20 0 BHADRN O=C(CCC1CCCCC1)OC[C@H]1CC1(F)F ZINC000816418773 586726639 /nfs/dbraw/zinc/72/66/39/586726639.db2.gz XSACYNXFGVRHRR-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CCC1CCCCC1)OC[C@@H]1CC1(F)F ZINC000816418774 586726642 /nfs/dbraw/zinc/72/66/42/586726642.db2.gz XSACYNXFGVRHRR-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN C[C@H](CC(=O)OC[C@H]1CC1(F)F)CC(C)(C)C ZINC000816418945 586727301 /nfs/dbraw/zinc/72/73/01/586727301.db2.gz CAWGDMJDSUFDQR-NXEZZACHSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@@H](CC(=O)OC[C@@H]1CC1(F)F)CC(C)(C)C ZINC000816418946 586727542 /nfs/dbraw/zinc/72/75/42/586727542.db2.gz CAWGDMJDSUFDQR-UWVGGRQHSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@@H](CC(=O)OC[C@H]1CC1(F)F)CC(C)(C)C ZINC000816418947 586726804 /nfs/dbraw/zinc/72/68/04/586726804.db2.gz CAWGDMJDSUFDQR-VHSXEESVSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@H](CC(=O)OC[C@@H]1CC1(F)F)CC(C)(C)C ZINC000816418948 643551771 /nfs/dbraw/zinc/55/17/71/643551771.db2.gz CAWGDMJDSUFDQR-ZJUUUORDSA-N 0 0 248.313 3.647 20 0 BHADRN CCCCCC(C)(C)C(=O)OC[C@@H]1CC1(F)F ZINC000816419256 586727765 /nfs/dbraw/zinc/72/77/65/586727765.db2.gz LGSCTJDMCUPRCJ-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CCCCCC(C)(C)C(=O)OC[C@H]1CC1(F)F ZINC000816419257 586727508 /nfs/dbraw/zinc/72/75/08/586727508.db2.gz LGSCTJDMCUPRCJ-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN CC1(CC(=O)OC[C@@H]2CC2(F)F)CCCCC1 ZINC000816420410 586728101 /nfs/dbraw/zinc/72/81/01/586728101.db2.gz QHNDJCPZTHFYJB-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CC1(CC(=O)OC[C@H]2CC2(F)F)CCCCC1 ZINC000816420411 586727967 /nfs/dbraw/zinc/72/79/67/586727967.db2.gz QHNDJCPZTHFYJB-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN CC[C@@H](C)CCCCC(=O)OC[C@H]1CC1(F)F ZINC000816420514 586728293 /nfs/dbraw/zinc/72/82/93/586728293.db2.gz SWBWKTYBLIMEOZ-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@@H](C)CCCCC(=O)OC[C@@H]1CC1(F)F ZINC000816420515 586728143 /nfs/dbraw/zinc/72/81/43/586728143.db2.gz SWBWKTYBLIMEOZ-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@H](C)CCCCC(=O)OC[C@@H]1CC1(F)F ZINC000816420516 586728064 /nfs/dbraw/zinc/72/80/64/586728064.db2.gz SWBWKTYBLIMEOZ-QWRGUYRKSA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@H](C)CCCCC(=O)OC[C@H]1CC1(F)F ZINC000816420517 586728271 /nfs/dbraw/zinc/72/82/71/586728271.db2.gz SWBWKTYBLIMEOZ-WDEREUQCSA-N 0 0 248.313 3.791 20 0 BHADRN CC1(C(=O)OC[C@@H]2CC2(F)F)CCCCCC1 ZINC000816422357 586728714 /nfs/dbraw/zinc/72/87/14/586728714.db2.gz JKEYOFQMSARMEJ-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CC1(C(=O)OC[C@H]2CC2(F)F)CCCCCC1 ZINC000816422358 586728831 /nfs/dbraw/zinc/72/88/31/586728831.db2.gz JKEYOFQMSARMEJ-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CC1CCCCCC1)OC[C@H]1CC1(F)F ZINC000816423733 586729299 /nfs/dbraw/zinc/72/92/99/586729299.db2.gz MLOPNFHXIASPKT-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CC1CCCCCC1)OC[C@@H]1CC1(F)F ZINC000816423734 586729422 /nfs/dbraw/zinc/72/94/22/586729422.db2.gz MLOPNFHXIASPKT-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN CCCC(=CC(=O)OC[C@H]1CC1(F)F)CCC ZINC000816423735 586728990 /nfs/dbraw/zinc/72/89/90/586728990.db2.gz MQPDPYFIFUTBGI-LLVKDONJSA-N 0 0 246.297 3.711 20 0 BHADRN CCCC(=CC(=O)OC[C@@H]1CC1(F)F)CCC ZINC000816423736 586729163 /nfs/dbraw/zinc/72/91/63/586729163.db2.gz MQPDPYFIFUTBGI-NSHDSACASA-N 0 0 246.297 3.711 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)OC[C@H]1CC1(F)F ZINC000816423789 586729133 /nfs/dbraw/zinc/72/91/33/586729133.db2.gz NXOKYACROBAJSN-NXEZZACHSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)OC[C@@H]1CC1(F)F ZINC000816423790 586729081 /nfs/dbraw/zinc/72/90/81/586729081.db2.gz NXOKYACROBAJSN-UWVGGRQHSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)OC[C@H]1CC1(F)F ZINC000816423791 586729002 /nfs/dbraw/zinc/72/90/02/586729002.db2.gz NXOKYACROBAJSN-VHSXEESVSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@H](CCC(C)(C)C)C(=O)OC[C@@H]1CC1(F)F ZINC000816423792 643552200 /nfs/dbraw/zinc/55/22/00/643552200.db2.gz NXOKYACROBAJSN-ZJUUUORDSA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)CCCCCC(=O)OC[C@H]1CC1(F)F ZINC000816423909 586729175 /nfs/dbraw/zinc/72/91/75/586729175.db2.gz QKHITURHACFPSP-LLVKDONJSA-N 0 0 248.313 3.791 20 0 BHADRN CC(C)CCCCCC(=O)OC[C@@H]1CC1(F)F ZINC000816423910 586729137 /nfs/dbraw/zinc/72/91/37/586729137.db2.gz QKHITURHACFPSP-NSHDSACASA-N 0 0 248.313 3.791 20 0 BHADRN CCCCC[C@@H](C)CC(=O)OC[C@H]1CC1(F)F ZINC000816425263 586729822 /nfs/dbraw/zinc/72/98/22/586729822.db2.gz WHOWEVHLMMINRH-GHMZBOCLSA-N 0 0 248.313 3.791 20 0 BHADRN CCCCC[C@@H](C)CC(=O)OC[C@@H]1CC1(F)F ZINC000816425264 586729165 /nfs/dbraw/zinc/72/91/65/586729165.db2.gz WHOWEVHLMMINRH-MNOVXSKESA-N 0 0 248.313 3.791 20 0 BHADRN CCCCC[C@H](C)CC(=O)OC[C@@H]1CC1(F)F ZINC000816425265 586729836 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CC/C(C)=C(/C)C(=O)N1CC(C)(C)[C@H]1C(C)C ZINC000817219346 586786872 /nfs/dbraw/zinc/78/68/72/586786872.db2.gz WNPNFHXVAJQVMO-YLGBQOPLSA-N 0 0 237.387 3.626 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC(C)(C)[C@@H]1C(C)C ZINC000817219347 586786824 /nfs/dbraw/zinc/78/68/24/586786824.db2.gz WNPNFHXVAJQVMO-YLSINNKHSA-N 0 0 237.387 3.626 20 0 BHADRN CCC/C(C)=C\C(=O)NC(C)(C)C(C)(C)C ZINC000817219537 586786880 /nfs/dbraw/zinc/78/68/80/586786880.db2.gz BOHVNOPAPLLHOJ-KHPPLWFESA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)NC(C)(C)C(C)(C)C ZINC000817219538 586786543 /nfs/dbraw/zinc/78/65/43/586786543.db2.gz BOHVNOPAPLLHOJ-ZHACJKMWSA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)C(F)=C1CCCC1 ZINC000817219704 586786621 /nfs/dbraw/zinc/78/66/21/586786621.db2.gz ITWPCGSDOMGHFH-UHFFFAOYSA-N 0 0 241.350 3.725 20 0 BHADRN CCCCCCC(=O)NC(C)(C)C(C)(C)C ZINC000817219848 586786867 /nfs/dbraw/zinc/78/68/67/586786867.db2.gz NLGHVHQEVJHWNP-UHFFFAOYSA-N 0 0 227.392 3.898 20 0 BHADRN CC(C(=O)NC(C)(C)C(C)(C)C)=C1CCCC1 ZINC000817219932 586786520 /nfs/dbraw/zinc/78/65/20/586786520.db2.gz QIELXWKNQKRURP-UHFFFAOYSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)C=C(C1CC1)C1CC1 ZINC000817220049 586786702 /nfs/dbraw/zinc/78/67/02/586786702.db2.gz UTYULWAAUGKTDL-UHFFFAOYSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC(C)(C)C(C)(C)C ZINC000817220272 586786767 /nfs/dbraw/zinc/78/67/67/586786767.db2.gz CQYSHDNEPIRHHZ-KHPPLWFESA-N 0 0 239.403 3.920 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC(C)(C)C(C)(C)C ZINC000817220273 586786831 /nfs/dbraw/zinc/78/68/31/586786831.db2.gz CQYSHDNEPIRHHZ-ZHACJKMWSA-N 0 0 239.403 3.920 20 0 BHADRN C/C=C(/C=C/C(=O)NC(C)(C)C(C)(C)C)CC ZINC000817220288 586786830 /nfs/dbraw/zinc/78/68/30/586786830.db2.gz CXOKXUHYLHAQDL-HKCCEGKBSA-N 0 0 237.387 3.840 20 0 BHADRN C/C=C(/C=C\C(=O)NC(C)(C)C(C)(C)C)CC ZINC000817220289 586786562 /nfs/dbraw/zinc/78/65/62/586786562.db2.gz CXOKXUHYLHAQDL-WROCRQLKSA-N 0 0 237.387 3.840 20 0 BHADRN CC(C)(C)/C=C\C(=O)NC(C)(C)C(C)(C)C ZINC000817220308 586786738 /nfs/dbraw/zinc/78/67/38/586786738.db2.gz DKNYJXJOZSGUGA-KTKRTIGZSA-N 0 0 225.376 3.530 20 0 BHADRN CC(C)(C)/C=C/C(=O)NC(C)(C)C(C)(C)C ZINC000817220309 586786806 /nfs/dbraw/zinc/78/68/06/586786806.db2.gz DKNYJXJOZSGUGA-MDZDMXLPSA-N 0 0 225.376 3.530 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)C1(F)CCCCC1 ZINC000817220441 586786758 /nfs/dbraw/zinc/78/67/58/586786758.db2.gz HVXBBCADNDRURJ-UHFFFAOYSA-N 0 0 243.366 3.600 20 0 BHADRN CCC(=CC(=O)NC(C)(C)C(C)(C)C)CC ZINC000817220532 586786736 /nfs/dbraw/zinc/78/67/36/586786736.db2.gz JLVOQOBLGNZCNI-UHFFFAOYSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC(C)(C)C(C)(C)C ZINC000817221034 586786841 /nfs/dbraw/zinc/78/68/41/586786841.db2.gz WKTAAZUVUIESMR-KHPPLWFESA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC(C)(C)C(C)(C)C ZINC000817221035 586786838 /nfs/dbraw/zinc/78/68/38/586786838.db2.gz WKTAAZUVUIESMR-ZHACJKMWSA-N 0 0 225.376 3.674 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)/C=C\c1ccccc1 ZINC000817221067 586786530 /nfs/dbraw/zinc/78/65/30/586786530.db2.gz XCFRJMUJVCCLLU-QXMHVHEDSA-N 0 0 245.366 3.641 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)/C=C/c1ccccc1 ZINC000817221068 586786835 /nfs/dbraw/zinc/78/68/35/586786835.db2.gz XCFRJMUJVCCLLU-VAWYXSNFSA-N 0 0 245.366 3.641 20 0 BHADRN CC(C)(C)C(C)(C)NC(=O)C=C1CCCCC1 ZINC000817221234 586786746 /nfs/dbraw/zinc/78/67/46/586786746.db2.gz ZXKMUGNGIQJZHS-UHFFFAOYSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C)=CCOC(=O)c1ccc(C(C)(C)C)cn1 ZINC000817242466 586789433 /nfs/dbraw/zinc/78/94/33/586789433.db2.gz DKUJJIYFGZQBLS-UHFFFAOYSA-N 0 0 247.338 3.502 20 0 BHADRN O=C1CCCCc2ccc(NC/C=C\Cl)cc21 ZINC000817383542 586800238 /nfs/dbraw/zinc/80/02/38/586800238.db2.gz RHBLZJJIASGYTR-BAQGIRSFSA-N 0 0 249.741 3.760 20 0 BHADRN O=C1CCCCc2ccc(NC/C=C/Cl)cc21 ZINC000817383545 586799467 /nfs/dbraw/zinc/79/94/67/586799467.db2.gz RHBLZJJIASGYTR-FPYGCLRLSA-N 0 0 249.741 3.760 20 0 BHADRN CCc1cc(N[C@@H](CC)c2ccccc2)nn1C ZINC000817386592 586800049 /nfs/dbraw/zinc/80/00/49/586800049.db2.gz RLUZULZVRSOLJX-AWEZNQCLSA-N 0 0 243.354 3.546 20 0 BHADRN CCc1cc(N[C@H](CC)c2ccccc2)nn1C ZINC000817386594 586800023 /nfs/dbraw/zinc/80/00/23/586800023.db2.gz RLUZULZVRSOLJX-CQSZACIVSA-N 0 0 243.354 3.546 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000817393560 586800568 /nfs/dbraw/zinc/80/05/68/586800568.db2.gz OXFJAEZPBBEWLF-IRCOFANPSA-N 0 0 234.343 3.877 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000817393567 586800514 /nfs/dbraw/zinc/80/05/14/586800514.db2.gz OXFJAEZPBBEWLF-YFKTTZPYSA-N 0 0 234.343 3.877 20 0 BHADRN O=C(NC1CCCCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817421396 586803700 /nfs/dbraw/zinc/80/37/00/586803700.db2.gz AHDNSQJDBVCVQD-MGPQQGTHSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(NC1CCCCCCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817421397 586803241 /nfs/dbraw/zinc/80/32/41/586803241.db2.gz AHDNSQJDBVCVQD-MJBXVCDLSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(Oc1ccc2ccccc2c1)[C@@H]1CC12CC2 ZINC000817421693 586803432 /nfs/dbraw/zinc/80/34/32/586803432.db2.gz JGEAUOYPZAXART-AWEZNQCLSA-N 0 0 238.286 3.545 20 0 BHADRN O=C(Oc1ccc2ccccc2c1)[C@H]1CC12CC2 ZINC000817421694 586803323 /nfs/dbraw/zinc/80/33/23/586803323.db2.gz JGEAUOYPZAXART-CQSZACIVSA-N 0 0 238.286 3.545 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817421731 586803554 /nfs/dbraw/zinc/80/35/54/586803554.db2.gz KFRVWTPONAXCBZ-FQUUOJAGSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817421733 584986014 /nfs/dbraw/zinc/98/60/14/584986014.db2.gz KFRVWTPONAXCBZ-REWJHTLYSA-N 0 0 237.387 3.508 20 0 BHADRN Cc1c(F)cccc1C(=O)N1CCCCCCC1 ZINC000817421798 586803273 /nfs/dbraw/zinc/80/32/73/586803273.db2.gz LPWGCGBHVGBZDH-UHFFFAOYSA-N 0 0 249.329 3.540 20 0 BHADRN CC(C)(C)c1ccc(OC(=O)[C@H]2CC23CC3)cc1 ZINC000817421969 586803952 /nfs/dbraw/zinc/80/39/52/586803952.db2.gz PKPJDPKMORLAIB-CYBMUJFWSA-N 0 0 244.334 3.690 20 0 BHADRN CC(C)(C)c1ccc(OC(=O)[C@@H]2CC23CC3)cc1 ZINC000817421971 586804010 /nfs/dbraw/zinc/80/40/10/586804010.db2.gz PKPJDPKMORLAIB-ZDUSSCGKSA-N 0 0 244.334 3.690 20 0 BHADRN O=C(Oc1cccc2ccccc21)[C@H]1CC12CC2 ZINC000817422532 586804001 /nfs/dbraw/zinc/80/40/01/586804001.db2.gz XZDCGCMCASMHCJ-CYBMUJFWSA-N 0 0 238.286 3.545 20 0 BHADRN O=C(Oc1cccc2ccccc21)[C@@H]1CC12CC2 ZINC000817422533 586804022 /nfs/dbraw/zinc/80/40/22/586804022.db2.gz XZDCGCMCASMHCJ-ZDUSSCGKSA-N 0 0 238.286 3.545 20 0 BHADRN O=C(Nc1ccc2ccccc2c1)[C@@H]1CC12CC2 ZINC000817423127 586803926 /nfs/dbraw/zinc/80/39/26/586803926.db2.gz ZOYNDRBKCNLXSK-AWEZNQCLSA-N 0 0 237.302 3.578 20 0 BHADRN O=C(Nc1ccc2ccccc2c1)[C@H]1CC12CC2 ZINC000817423128 586804035 /nfs/dbraw/zinc/80/40/35/586804035.db2.gz ZOYNDRBKCNLXSK-CQSZACIVSA-N 0 0 237.302 3.578 20 0 BHADRN CC(C)c1ccc(OC(=O)[C@H]2CC23CC3)cc1 ZINC000817424775 586803946 /nfs/dbraw/zinc/80/39/46/586803946.db2.gz CXXGBDHEKYHCHU-CYBMUJFWSA-N 0 0 230.307 3.516 20 0 BHADRN CC(C)c1ccc(OC(=O)[C@@H]2CC23CC3)cc1 ZINC000817424777 586804050 /nfs/dbraw/zinc/80/40/50/586804050.db2.gz CXXGBDHEKYHCHU-ZDUSSCGKSA-N 0 0 230.307 3.516 20 0 BHADRN CC(C)c1ccccc1OC(=O)[C@H]1CC12CC2 ZINC000817425090 586804466 /nfs/dbraw/zinc/80/44/66/586804466.db2.gz INCQZTDMXBYYAO-GFCCVEGCSA-N 0 0 230.307 3.516 20 0 BHADRN CC(C)c1ccccc1OC(=O)[C@@H]1CC12CC2 ZINC000817425092 586804550 /nfs/dbraw/zinc/80/45/50/586804550.db2.gz INCQZTDMXBYYAO-LBPRGKRZSA-N 0 0 230.307 3.516 20 0 BHADRN CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC12CC2 ZINC000817426183 586804661 /nfs/dbraw/zinc/80/46/61/586804661.db2.gz VZIXRNXERDOSKU-AAEUAGOBSA-N 0 0 244.334 3.906 20 0 BHADRN CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC12CC2 ZINC000817426184 586804774 /nfs/dbraw/zinc/80/47/74/586804774.db2.gz VZIXRNXERDOSKU-DGCLKSJQSA-N 0 0 244.334 3.906 20 0 BHADRN CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC12CC2 ZINC000817426185 586804433 /nfs/dbraw/zinc/80/44/33/586804433.db2.gz VZIXRNXERDOSKU-WCQYABFASA-N 0 0 244.334 3.906 20 0 BHADRN CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC12CC2 ZINC000817426186 586804684 /nfs/dbraw/zinc/80/46/84/586804684.db2.gz VZIXRNXERDOSKU-YPMHNXCESA-N 0 0 244.334 3.906 20 0 BHADRN CC(C)(C)c1cccc(OC(=O)[C@H]2CC23CC3)c1 ZINC000817426264 586804819 /nfs/dbraw/zinc/80/48/19/586804819.db2.gz YEHNFUWZIFTFNH-CYBMUJFWSA-N 0 0 244.334 3.690 20 0 BHADRN CC(C)(C)c1cccc(OC(=O)[C@@H]2CC23CC3)c1 ZINC000817426265 586804405 /nfs/dbraw/zinc/80/44/05/586804405.db2.gz YEHNFUWZIFTFNH-ZDUSSCGKSA-N 0 0 244.334 3.690 20 0 BHADRN Cc1ccc(N(C(=O)[C@@H]2CC23CC3)C(C)C)cc1 ZINC000817430970 586804987 /nfs/dbraw/zinc/80/49/87/586804987.db2.gz PUEDVYKORWIQQF-AWEZNQCLSA-N 0 0 243.350 3.537 20 0 BHADRN Cc1ccc(N(C(=O)[C@H]2CC23CC3)C(C)C)cc1 ZINC000817430971 586804998 /nfs/dbraw/zinc/80/49/98/586804998.db2.gz PUEDVYKORWIQQF-CQSZACIVSA-N 0 0 243.350 3.537 20 0 BHADRN CCSc1ccccc1OC(=O)[C@@H]1CC12CC2 ZINC000817433527 586805084 /nfs/dbraw/zinc/80/50/84/586805084.db2.gz SOWJHLGFJAFBMC-JTQLQIEISA-N 0 0 248.347 3.504 20 0 BHADRN CCSc1ccccc1OC(=O)[C@H]1CC12CC2 ZINC000817433528 586805114 /nfs/dbraw/zinc/80/51/14/586805114.db2.gz SOWJHLGFJAFBMC-SNVBAGLBSA-N 0 0 248.347 3.504 20 0 BHADRN CCCCCC(C)(C)CNC(=O)[C@H]1CC12CC2 ZINC000817438819 644981318 /nfs/dbraw/zinc/98/13/18/644981318.db2.gz MMYKFPXZEZCKCE-GFCCVEGCSA-N 0 0 237.387 3.509 20 0 BHADRN CCCCCC(C)(C)CNC(=O)[C@@H]1CC12CC2 ZINC000817438821 644981364 /nfs/dbraw/zinc/98/13/64/644981364.db2.gz MMYKFPXZEZCKCE-LBPRGKRZSA-N 0 0 237.387 3.509 20 0 BHADRN CC(C)c1ccc(N(C)C(=O)[C@@H]2CC23CC3)cc1 ZINC000817439926 644981265 /nfs/dbraw/zinc/98/12/65/644981265.db2.gz DPGIYUIEZIGMDO-AWEZNQCLSA-N 0 0 243.350 3.573 20 0 BHADRN CC(C)c1ccc(N(C)C(=O)[C@H]2CC23CC3)cc1 ZINC000817439930 644980494 /nfs/dbraw/zinc/98/04/94/644980494.db2.gz DPGIYUIEZIGMDO-CQSZACIVSA-N 0 0 243.350 3.573 20 0 BHADRN CC[C@H](OC(=O)[C@@H]1CC12CC2)c1ccc(C)cc1 ZINC000817440946 644980732 /nfs/dbraw/zinc/98/07/32/644980732.db2.gz AIHLTGQIRCBJDY-KBPBESRZSA-N 0 0 244.334 3.789 20 0 BHADRN CC[C@H](OC(=O)[C@H]1CC12CC2)c1ccc(C)cc1 ZINC000817440947 644981149 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644982394 /nfs/dbraw/zinc/98/23/94/644982394.db2.gz QVNKRNFGJCTPEQ-STQMWFEESA-N 0 0 244.334 3.708 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)[C@H]2CC23CC3)c1 ZINC000817442325 586806170 /nfs/dbraw/zinc/80/61/70/586806170.db2.gz WHVNTMIMRGTJKO-CMPLNLGQSA-N 0 0 248.297 3.538 20 0 BHADRN Cc1ccc(F)c([C@H](C)OC(=O)[C@@H]2CC23CC3)c1 ZINC000817442326 586806024 /nfs/dbraw/zinc/80/60/24/586806024.db2.gz WHVNTMIMRGTJKO-JQWIXIFHSA-N 0 0 248.297 3.538 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)[C@@H]2CC23CC3)c1 ZINC000817442327 586806072 /nfs/dbraw/zinc/80/60/72/586806072.db2.gz WHVNTMIMRGTJKO-PWSUYJOCSA-N 0 0 248.297 3.538 20 0 BHADRN Cc1ccc(F)c([C@@H](C)OC(=O)[C@H]2CC23CC3)c1 ZINC000817442328 586806179 /nfs/dbraw/zinc/80/61/79/586806179.db2.gz WHVNTMIMRGTJKO-ZYHUDNBSSA-N 0 0 248.297 3.538 20 0 BHADRN O=C(Oc1ccc(C2CCC2)cc1)[C@@H]1CC12CC2 ZINC000817444630 586806102 /nfs/dbraw/zinc/80/61/02/586806102.db2.gz KBYGXMAZFVZGKZ-AWEZNQCLSA-N 0 0 242.318 3.660 20 0 BHADRN O=C(Oc1ccc(C2CCC2)cc1)[C@H]1CC12CC2 ZINC000817444631 586806142 /nfs/dbraw/zinc/80/61/42/586806142.db2.gz KBYGXMAZFVZGKZ-CQSZACIVSA-N 0 0 242.318 3.660 20 0 BHADRN O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCCCCCCC1 ZINC000817455528 584986607 /nfs/dbraw/zinc/98/66/07/584986607.db2.gz RDSGLTOPVOYLLW-RBSFLKMASA-N 0 0 249.398 3.605 20 0 BHADRN O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCCCCCCC1 ZINC000817455530 584986377 /nfs/dbraw/zinc/98/63/77/584986377.db2.gz RDSGLTOPVOYLLW-ZNMIVQPWSA-N 0 0 249.398 3.605 20 0 BHADRN CC(C(=O)N1CC[C@H](C2CCCC2)C1)=C1CCC1 ZINC000817467052 644985286 /nfs/dbraw/zinc/98/52/86/644985286.db2.gz UMZRJSSOMYRTEM-HNNXBMFYSA-N 0 0 247.382 3.526 20 0 BHADRN CC(C(=O)N1CC[C@@H](C2CCCC2)C1)=C1CCC1 ZINC000817467053 644984416 /nfs/dbraw/zinc/98/44/16/644984416.db2.gz UMZRJSSOMYRTEM-OAHLLOKOSA-N 0 0 247.382 3.526 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@@]1(C)CC1(F)F ZINC000817516158 586809764 /nfs/dbraw/zinc/80/97/64/586809764.db2.gz VHOOEFRKANEAKN-CMPLNLGQSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCCC[C@H](C)NC(=O)[C@]1(C)CC1(F)F ZINC000817516159 586809644 /nfs/dbraw/zinc/80/96/44/586809644.db2.gz VHOOEFRKANEAKN-JQWIXIFHSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)[C@]1(C)CC1(F)F ZINC000817516160 586807611 /nfs/dbraw/zinc/80/76/11/586807611.db2.gz VHOOEFRKANEAKN-PWSUYJOCSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)[C@@]1(C)CC1(F)F ZINC000817516161 586807421 /nfs/dbraw/zinc/80/74/21/586807421.db2.gz VHOOEFRKANEAKN-ZYHUDNBSSA-N 0 0 247.329 3.507 20 0 BHADRN CC(C)CCCCCCNC(=O)[C@H]1CC12CC2 ZINC000817518105 586809581 /nfs/dbraw/zinc/80/95/81/586809581.db2.gz HIEWVPLRZPGFNQ-CYBMUJFWSA-N 0 0 237.387 3.509 20 0 BHADRN CC(C)CCCCCCNC(=O)[C@@H]1CC12CC2 ZINC000817518106 586809754 /nfs/dbraw/zinc/80/97/54/586809754.db2.gz HIEWVPLRZPGFNQ-ZDUSSCGKSA-N 0 0 237.387 3.509 20 0 BHADRN CC(C)C(C)(C)SCc1nn(C)cc1Cl ZINC000817580455 586812808 /nfs/dbraw/zinc/81/28/08/586812808.db2.gz JQOQUBUNOFZPQP-UHFFFAOYSA-N 0 0 246.807 3.741 20 0 BHADRN CCOCSc1ccc2c(c1)CCCC2 ZINC000817583844 586812761 /nfs/dbraw/zinc/81/27/61/586812761.db2.gz LEWLUANCRLMGTF-UHFFFAOYSA-N 0 0 222.353 3.652 20 0 BHADRN Cc1cc(CNc2cc(C)n(C(C)C)n2)c(C)o1 ZINC000817710418 586818921 /nfs/dbraw/zinc/81/89/21/586818921.db2.gz NCNQAWZTHPWGLB-UHFFFAOYSA-N 0 0 247.342 3.594 20 0 BHADRN CCC[C@H](OC(=O)[C@@H]1CC12CC2)c1ccccc1 ZINC000817711789 586819007 /nfs/dbraw/zinc/81/90/07/586819007.db2.gz LYRFNBWEPOYDEF-KBPBESRZSA-N 0 0 244.334 3.871 20 0 BHADRN CCC[C@H](OC(=O)[C@H]1CC12CC2)c1ccccc1 ZINC000817711790 586819248 /nfs/dbraw/zinc/81/92/48/586819248.db2.gz LYRFNBWEPOYDEF-KGLIPLIRSA-N 0 0 244.334 3.871 20 0 BHADRN CCC[C@@H](OC(=O)[C@@H]1CC12CC2)c1ccccc1 ZINC000817711791 586819227 /nfs/dbraw/zinc/81/92/27/586819227.db2.gz LYRFNBWEPOYDEF-UONOGXRCSA-N 0 0 244.334 3.871 20 0 BHADRN CCC[C@@H](OC(=O)[C@H]1CC12CC2)c1ccccc1 ZINC000817711793 586818956 /nfs/dbraw/zinc/81/89/56/586818956.db2.gz LYRFNBWEPOYDEF-ZIAGYGMSSA-N 0 0 244.334 3.871 20 0 BHADRN Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC23CC3)c1 ZINC000817714596 586819561 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IPFNMRCFZUMFMO-MRVPVSSYSA-N 0 0 244.693 3.568 20 0 BHADRN CC[C@H](C)C(=O)OCc1ccc(F)cc1Cl ZINC000817813565 586829398 /nfs/dbraw/zinc/82/93/98/586829398.db2.gz IPFNMRCFZUMFMO-QMMMGPOBSA-N 0 0 244.693 3.568 20 0 BHADRN CC[C@@H](C)C(=O)OCc1c(F)cccc1Cl ZINC000817815424 586830220 /nfs/dbraw/zinc/83/02/20/586830220.db2.gz WSIVBNWDSNKMJP-MRVPVSSYSA-N 0 0 244.693 3.568 20 0 BHADRN CC[C@H](C)C(=O)OCc1c(F)cccc1Cl ZINC000817815426 586830262 /nfs/dbraw/zinc/83/02/62/586830262.db2.gz WSIVBNWDSNKMJP-QMMMGPOBSA-N 0 0 244.693 3.568 20 0 BHADRN C[C@H](c1ccc(F)c(F)c1)N(C)C/C=C\Cl ZINC000817821989 586829945 /nfs/dbraw/zinc/82/99/45/586829945.db2.gz GLNJOWYBEFGUOL-JVBZPZKUSA-N 0 0 245.700 3.710 20 0 BHADRN C[C@@H](c1ccc(F)c(F)c1)N(C)C/C=C\Cl ZINC000817821990 586829952 /nfs/dbraw/zinc/82/99/52/586829952.db2.gz GLNJOWYBEFGUOL-RWIWAZIYSA-N 0 0 245.700 3.710 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000817931495 586841901 /nfs/dbraw/zinc/84/19/01/586841901.db2.gz KTJLOAXZQDMJAS-GFCCVEGCSA-N 0 0 248.370 3.517 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000817931496 586842196 /nfs/dbraw/zinc/84/21/96/586842196.db2.gz KTJLOAXZQDMJAS-LBPRGKRZSA-N 0 0 248.370 3.517 20 0 BHADRN O=C(/C=C\c1ccccc1F)OC1CCCCC1 ZINC000817944327 586846585 /nfs/dbraw/zinc/84/65/85/586846585.db2.gz ZGCMAJSVUWBCSK-KHPPLWFESA-N 0 0 248.297 3.715 20 0 BHADRN O=C(/C=C/c1ccccc1F)OC1CCCCC1 ZINC000817944328 586846142 /nfs/dbraw/zinc/84/61/42/586846142.db2.gz ZGCMAJSVUWBCSK-ZHACJKMWSA-N 0 0 248.297 3.715 20 0 BHADRN CC[C@@H](C)C(=O)Oc1ccc(Cl)cc1Cl ZINC000817951669 586845446 /nfs/dbraw/zinc/84/54/46/586845446.db2.gz JEWJPUPTEDUFOS-SSDOTTSWSA-N 0 0 247.121 3.945 20 0 BHADRN CC[C@H](C)C(=O)Oc1ccc(Cl)cc1Cl ZINC000817951670 586845020 /nfs/dbraw/zinc/84/50/20/586845020.db2.gz JEWJPUPTEDUFOS-ZETCQYMHSA-N 0 0 247.121 3.945 20 0 BHADRN CCCCCCNC(=O)/C=C\c1ccccc1F ZINC000817976829 586860510 /nfs/dbraw/zinc/86/05/10/586860510.db2.gz VCLTVHKRFGCVCJ-KHPPLWFESA-N 0 0 249.329 3.535 20 0 BHADRN CCCCCCNC(=O)/C=C/c1ccccc1F ZINC000817976830 586860861 /nfs/dbraw/zinc/86/08/61/586860861.db2.gz VCLTVHKRFGCVCJ-ZHACJKMWSA-N 0 0 249.329 3.535 20 0 BHADRN CC[C@@H](C)C(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000817994390 586863020 /nfs/dbraw/zinc/86/30/20/586863020.db2.gz SKYGOECDSILDTP-SSDOTTSWSA-N 0 0 247.121 3.945 20 0 BHADRN CC[C@H](C)C(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000817994391 586862966 /nfs/dbraw/zinc/86/29/66/586862966.db2.gz SKYGOECDSILDTP-ZETCQYMHSA-N 0 0 247.121 3.945 20 0 BHADRN CC[C@@H](C)C(=O)Oc1cccc(Cl)c1Cl ZINC000817997461 586863291 /nfs/dbraw/zinc/86/32/91/586863291.db2.gz QBCFXGUQWDNXKS-SSDOTTSWSA-N 0 0 247.121 3.945 20 0 BHADRN CC[C@H](C)C(=O)Oc1cccc(Cl)c1Cl ZINC000817997463 586863203 /nfs/dbraw/zinc/86/32/03/586863203.db2.gz QBCFXGUQWDNXKS-ZETCQYMHSA-N 0 0 247.121 3.945 20 0 BHADRN CCc1cc(OC(=O)[C@H](C)CC)ccc1Cl ZINC000818025963 586865663 /nfs/dbraw/zinc/86/56/63/586865663.db2.gz YMXDDDXRKLSEPT-SECBINFHSA-N 0 0 240.730 3.854 20 0 BHADRN CCc1cc(OC(=O)[C@@H](C)CC)ccc1Cl ZINC000818025964 586865647 /nfs/dbraw/zinc/86/56/47/586865647.db2.gz YMXDDDXRKLSEPT-VIFPVBQESA-N 0 0 240.730 3.854 20 0 BHADRN CC[C@@H](C)C(=O)Oc1cc(Cl)ccc1Cl ZINC000818027518 586865665 /nfs/dbraw/zinc/86/56/65/586865665.db2.gz BCJFPYIUEKADKL-SSDOTTSWSA-N 0 0 247.121 3.945 20 0 BHADRN CC[C@H](C)C(=O)Oc1cc(Cl)ccc1Cl ZINC000818027520 644995111 /nfs/dbraw/zinc/99/51/11/644995111.db2.gz BCJFPYIUEKADKL-ZETCQYMHSA-N 0 0 247.121 3.945 20 0 BHADRN CC[C@@H](C)C(=O)Oc1c(C)cc(Cl)cc1C ZINC000818028112 586865272 /nfs/dbraw/zinc/86/52/72/586865272.db2.gz YNXWHDVUNPDMCI-MRVPVSSYSA-N 0 0 240.730 3.908 20 0 BHADRN CC[C@H](C)C(=O)Oc1c(C)cc(Cl)cc1C ZINC000818028113 586865398 /nfs/dbraw/zinc/86/53/98/586865398.db2.gz YNXWHDVUNPDMCI-QMMMGPOBSA-N 0 0 240.730 3.908 20 0 BHADRN CC[C@@H](C)C(=O)Oc1c(Cl)cccc1Cl ZINC000818029471 586865797 /nfs/dbraw/zinc/86/57/97/586865797.db2.gz XYFWSQCQQMTSTA-SSDOTTSWSA-N 0 0 247.121 3.945 20 0 BHADRN CC[C@H](C)C(=O)Oc1c(Cl)cccc1Cl ZINC000818029472 586866239 /nfs/dbraw/zinc/86/62/39/586866239.db2.gz XYFWSQCQQMTSTA-ZETCQYMHSA-N 0 0 247.121 3.945 20 0 BHADRN CC[C@@H](C)C(=O)Oc1cccc(C(C)(C)C)c1 ZINC000818030408 586865985 /nfs/dbraw/zinc/86/59/85/586865985.db2.gz BJFCIJQGWONDNF-LLVKDONJSA-N 0 0 234.339 3.936 20 0 BHADRN CC[C@H](C)C(=O)Oc1cccc(C(C)(C)C)c1 ZINC000818030410 586865947 /nfs/dbraw/zinc/86/59/47/586865947.db2.gz BJFCIJQGWONDNF-NSHDSACASA-N 0 0 234.339 3.936 20 0 BHADRN Fc1ccccc1OCC[C@@H]1CC1(Cl)Cl ZINC000818056791 586867773 /nfs/dbraw/zinc/86/77/73/586867773.db2.gz VRKPTFVSVOONCN-MRVPVSSYSA-N 0 0 249.112 3.788 20 0 BHADRN Fc1ccccc1OCC[C@H]1CC1(Cl)Cl ZINC000818056796 586867858 /nfs/dbraw/zinc/86/78/58/586867858.db2.gz VRKPTFVSVOONCN-QMMMGPOBSA-N 0 0 249.112 3.788 20 0 BHADRN ClC1(Cl)C[C@H]1CCSc1ccccn1 ZINC000818059440 586866022 /nfs/dbraw/zinc/86/60/22/586866022.db2.gz LUARQEIWGJCEEN-MRVPVSSYSA-N 0 0 248.178 3.758 20 0 BHADRN ClC1(Cl)C[C@@H]1CCSc1ccccn1 ZINC000818059441 586866091 /nfs/dbraw/zinc/86/60/91/586866091.db2.gz LUARQEIWGJCEEN-QMMMGPOBSA-N 0 0 248.178 3.758 20 0 BHADRN ClC1(Cl)C[C@H]1CCOc1ccccc1 ZINC000818074052 586866745 /nfs/dbraw/zinc/86/67/45/586866745.db2.gz PYQITRXXCUSGGU-SECBINFHSA-N 0 0 231.122 3.649 20 0 BHADRN ClC1(Cl)C[C@@H]1CCOc1ccccc1 ZINC000818074053 586866339 /nfs/dbraw/zinc/86/63/39/586866339.db2.gz PYQITRXXCUSGGU-VIFPVBQESA-N 0 0 231.122 3.649 20 0 BHADRN CC(C)c1nccn1CC[C@@H]1CC1(Cl)Cl ZINC000818081716 586871152 /nfs/dbraw/zinc/87/11/52/586871152.db2.gz VQOKLRPYPSBTBF-SECBINFHSA-N 0 0 247.169 3.590 20 0 BHADRN CC(C)c1nccn1CC[C@H]1CC1(Cl)Cl ZINC000818081717 586871160 /nfs/dbraw/zinc/87/11/60/586871160.db2.gz VQOKLRPYPSBTBF-VIFPVBQESA-N 0 0 247.169 3.590 20 0 BHADRN Cc1cnc(COc2cccc(C3CC3)c2)s1 ZINC000818089539 586871939 /nfs/dbraw/zinc/87/19/39/586871939.db2.gz XVHBUEVSOYWLJM-UHFFFAOYSA-N 0 0 245.347 3.908 20 0 BHADRN CCCCCCC(=O)N1CC(CC)(CC)C1 ZINC000818112817 586875480 /nfs/dbraw/zinc/87/54/80/586875480.db2.gz AYEQKDQUIMTTFZ-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN CCC1(CC)CN(C(=O)C(C)=C2CCCC2)C1 ZINC000818113271 586875588 /nfs/dbraw/zinc/87/55/88/586875588.db2.gz JFDXKRLZBMVLCD-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCC1(CC)CN(C(=O)/C=C(\C)C(C)(C)C)C1 ZINC000818114255 586875207 /nfs/dbraw/zinc/87/52/07/586875207.db2.gz VGIRANFGQOUXRF-FMIVXFBMSA-N 0 0 237.387 3.627 20 0 BHADRN CCC1(CC)CN(C(=O)/C=C(/C)C(C)(C)C)C1 ZINC000818114256 586875315 /nfs/dbraw/zinc/87/53/15/586875315.db2.gz VGIRANFGQOUXRF-XFXZXTDPSA-N 0 0 237.387 3.627 20 0 BHADRN CCC1(CC)CN(C(=O)C=C2CCCCC2)C1 ZINC000818119792 586875853 /nfs/dbraw/zinc/87/58/53/586875853.db2.gz NFVUPNXPYHICME-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCC1(CC)CN(C(=O)/C(C)=C/C(C)(C)C)C1 ZINC000818119920 586876214 /nfs/dbraw/zinc/87/62/14/586876214.db2.gz RVHIVJXSARVGGZ-FMIVXFBMSA-N 0 0 237.387 3.627 20 0 BHADRN CCC1(CC)CN(C(=O)/C(C)=C\C(C)(C)C)C1 ZINC000818119921 586876082 /nfs/dbraw/zinc/87/60/82/586876082.db2.gz RVHIVJXSARVGGZ-XFXZXTDPSA-N 0 0 237.387 3.627 20 0 BHADRN C/C=C(/C=C\C(=O)N1CC(CC)(CC)C1)CC ZINC000818119936 586876067 /nfs/dbraw/zinc/87/60/67/586876067.db2.gz STOLFGOIVCSPBE-RBUNJRTFSA-N 0 0 235.371 3.548 20 0 BHADRN C/C=C(/C=C/C(=O)N1CC(CC)(CC)C1)CC ZINC000818119937 586875933 /nfs/dbraw/zinc/87/59/33/586875933.db2.gz STOLFGOIVCSPBE-WLQVBUEZSA-N 0 0 235.371 3.548 20 0 BHADRN CCC/C(C)=C/C(=O)NC1CC(C(C)(C)C)C1 ZINC000818136675 586876433 /nfs/dbraw/zinc/87/64/33/586876433.db2.gz GEGSTRVPSAFCGH-DHZHZOJOSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)NC1CC(C(C)(C)C)C1 ZINC000818136676 586875355 /nfs/dbraw/zinc/87/53/55/586875355.db2.gz GEGSTRVPSAFCGH-FLIBITNWSA-N 0 0 237.387 3.674 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)NC2CC(C(C)(C)C)C2)C1 ZINC000818136972 586876705 /nfs/dbraw/zinc/87/67/05/586876705.db2.gz MGYFURIMRASJFE-BEFFRFMPSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)NC2CC(C(C)(C)C)C2)C1 ZINC000818136975 586876763 /nfs/dbraw/zinc/87/67/63/586876763.db2.gz MGYFURIMRASJFE-FYQGRJRESA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)NC2CC(C(C)(C)C)C2)C1 ZINC000818136976 586876803 /nfs/dbraw/zinc/87/68/03/586876803.db2.gz MGYFURIMRASJFE-IQTPLIFHSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)NC2CC(C(C)(C)C)C2)C1 ZINC000818136977 586876793 /nfs/dbraw/zinc/87/67/93/586876793.db2.gz MGYFURIMRASJFE-PFXZOUERSA-N 0 0 249.398 3.674 20 0 BHADRN CCC(=CC(=O)NC1CC(C(C)(C)C)C1)CC ZINC000818141750 586876726 /nfs/dbraw/zinc/87/67/26/586876726.db2.gz CBDHUYMUUYDKGB-UHFFFAOYSA-N 0 0 237.387 3.674 20 0 BHADRN CC(C(=O)NC1CC(C(C)(C)C)C1)=C1CCCC1 ZINC000818141909 586876933 /nfs/dbraw/zinc/87/69/33/586876933.db2.gz JZNRQNOVDQOVNB-UHFFFAOYSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1CC(C(C)(C)C)C1 ZINC000818141917 586876692 /nfs/dbraw/zinc/87/66/92/586876692.db2.gz KIHVPPIKVOSBBH-KHPPLWFESA-N 0 0 237.387 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1CC(C(C)(C)C)C1 ZINC000818141918 586876978 /nfs/dbraw/zinc/87/69/78/586876978.db2.gz KIHVPPIKVOSBBH-ZHACJKMWSA-N 0 0 237.387 3.674 20 0 BHADRN CCCCCCC(=O)NC1CC(C(C)(C)C)C1 ZINC000818142071 586876777 /nfs/dbraw/zinc/87/67/77/586876777.db2.gz QVDHSRNEBVMWGH-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN C/C=C(/C=C\C(=O)NC1CC(C(C)(C)C)C1)CC ZINC000818142097 586876854 /nfs/dbraw/zinc/87/68/54/586876854.db2.gz RXFVLIJJZCCXKI-HQBPLYTQSA-N 0 0 249.398 3.840 20 0 BHADRN C/C=C(/C=C/C(=O)NC1CC(C(C)(C)C)C1)CC ZINC000818142098 586876748 /nfs/dbraw/zinc/87/67/48/586876748.db2.gz RXFVLIJJZCCXKI-UYVFLQAESA-N 0 0 249.398 3.840 20 0 BHADRN CC(C)(C)/C=C/C(=O)NC1CC(C(C)(C)C)C1 ZINC000818142099 586876578 /nfs/dbraw/zinc/87/65/78/586876578.db2.gz SAOAVFGOFXWZIV-BQYQJAHWSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)(C)/C=C\C(=O)NC1CC(C(C)(C)C)C1 ZINC000818142100 586876967 /nfs/dbraw/zinc/87/69/67/586876967.db2.gz SAOAVFGOFXWZIV-FPLPWBNLSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)(C)C1CC(NC(=O)C=C2CCCCC2)C1 ZINC000818149005 586877184 /nfs/dbraw/zinc/87/71/84/586877184.db2.gz ZFFYBPAGGBUMNB-UHFFFAOYSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)SCC[C@@H]1CC1(Cl)Cl ZINC000818150628 586877211 /nfs/dbraw/zinc/87/72/11/586877211.db2.gz ATNZVQDRGMHAHP-SSDOTTSWSA-N 0 0 213.173 3.712 20 0 BHADRN CC(C)SCC[C@H]1CC1(Cl)Cl ZINC000818150631 586877377 /nfs/dbraw/zinc/87/73/77/586877377.db2.gz ATNZVQDRGMHAHP-ZETCQYMHSA-N 0 0 213.173 3.712 20 0 BHADRN CCCSCC[C@@H]1CC1(Cl)Cl ZINC000818151215 586877202 /nfs/dbraw/zinc/87/72/02/586877202.db2.gz FEEVVXRGTKOXDC-SSDOTTSWSA-N 0 0 213.173 3.714 20 0 BHADRN CCCSCC[C@H]1CC1(Cl)Cl ZINC000818151216 586876764 /nfs/dbraw/zinc/87/67/64/586876764.db2.gz FEEVVXRGTKOXDC-ZETCQYMHSA-N 0 0 213.173 3.714 20 0 BHADRN C/C=C\CSCC[C@H]1CC1(Cl)Cl ZINC000818151963 586877348 /nfs/dbraw/zinc/87/73/48/586877348.db2.gz JZFJWJGZDKAVPV-KZUAUGPASA-N 0 0 225.184 3.880 20 0 BHADRN C/C=C/CSCC[C@H]1CC1(Cl)Cl ZINC000818151966 586877256 /nfs/dbraw/zinc/87/72/56/586877256.db2.gz JZFJWJGZDKAVPV-SGJFDWMWSA-N 0 0 225.184 3.880 20 0 BHADRN C/C=C/CSCC[C@@H]1CC1(Cl)Cl ZINC000818151967 586877153 /nfs/dbraw/zinc/87/71/53/586877153.db2.gz JZFJWJGZDKAVPV-UFUPEUMYSA-N 0 0 225.184 3.880 20 0 BHADRN C/C=C\CSCC[C@@H]1CC1(Cl)Cl ZINC000818151968 586877538 /nfs/dbraw/zinc/87/75/38/586877538.db2.gz JZFJWJGZDKAVPV-YAJNLLPGSA-N 0 0 225.184 3.880 20 0 BHADRN ClC1(Cl)C[C@H]1CCSCC1CC1 ZINC000818152346 586877494 /nfs/dbraw/zinc/87/74/94/586877494.db2.gz LJGRJAZAOHJKET-MRVPVSSYSA-N 0 0 225.184 3.714 20 0 BHADRN ClC1(Cl)C[C@@H]1CCSCC1CC1 ZINC000818152347 586877262 /nfs/dbraw/zinc/87/72/62/586877262.db2.gz LJGRJAZAOHJKET-QMMMGPOBSA-N 0 0 225.184 3.714 20 0 BHADRN FCCCSCC[C@@H]1CC1(Cl)Cl ZINC000818154126 586877481 /nfs/dbraw/zinc/87/74/81/586877481.db2.gz HTILDQXPILSUMH-SSDOTTSWSA-N 0 0 231.163 3.663 20 0 BHADRN FCCCSCC[C@H]1CC1(Cl)Cl ZINC000818154127 586877266 /nfs/dbraw/zinc/87/72/66/586877266.db2.gz HTILDQXPILSUMH-ZETCQYMHSA-N 0 0 231.163 3.663 20 0 BHADRN CSCCSCC[C@@H]1CC1(Cl)Cl ZINC000818157433 586877980 /nfs/dbraw/zinc/87/79/80/586877980.db2.gz PVMOELNAPVPESG-SSDOTTSWSA-N 0 0 245.240 3.667 20 0 BHADRN CSCCSCC[C@H]1CC1(Cl)Cl ZINC000818157436 586878271 /nfs/dbraw/zinc/87/82/71/586878271.db2.gz PVMOELNAPVPESG-ZETCQYMHSA-N 0 0 245.240 3.667 20 0 BHADRN CCC[C@@H](C)CNc1ccc2cc[nH]c(=O)c2c1 ZINC000818235645 586881589 /nfs/dbraw/zinc/88/15/89/586881589.db2.gz RYMGNCUZJXIZJE-LLVKDONJSA-N 0 0 244.338 3.789 20 0 BHADRN CCC[C@H](C)CNc1ccc2cc[nH]c(=O)c2c1 ZINC000818235646 586881670 /nfs/dbraw/zinc/88/16/70/586881670.db2.gz RYMGNCUZJXIZJE-NSHDSACASA-N 0 0 244.338 3.789 20 0 BHADRN CCCCC[C@@H](C(=O)NCC(C)(F)F)C(C)C ZINC000818251628 586882096 /nfs/dbraw/zinc/88/20/96/586882096.db2.gz FINCLZJMBIKHFA-LLVKDONJSA-N 0 0 249.345 3.610 20 0 BHADRN CCCCC[C@H](C(=O)NCC(C)(F)F)C(C)C ZINC000818251632 586882311 /nfs/dbraw/zinc/88/23/11/586882311.db2.gz FINCLZJMBIKHFA-NSHDSACASA-N 0 0 249.345 3.610 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NCC(C)(F)F ZINC000818251897 586882055 /nfs/dbraw/zinc/88/20/55/586882055.db2.gz IFSYEYGWIFTHOQ-GFCCVEGCSA-N 0 0 249.345 3.754 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NCC(C)(F)F ZINC000818251898 586882072 /nfs/dbraw/zinc/88/20/72/586882072.db2.gz IFSYEYGWIFTHOQ-LBPRGKRZSA-N 0 0 249.345 3.754 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)NCC(C)(F)F ZINC000818257962 586882091 /nfs/dbraw/zinc/88/20/91/586882091.db2.gz UEBNEFRVOFKJPZ-LLVKDONJSA-N 0 0 249.345 3.754 20 0 BHADRN CCCCCC[C@H](C)CC(=O)NCC(C)(F)F ZINC000818257964 586882226 /nfs/dbraw/zinc/88/22/26/586882226.db2.gz UEBNEFRVOFKJPZ-NSHDSACASA-N 0 0 249.345 3.754 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NCC(C)(F)F ZINC000818261251 586882261 /nfs/dbraw/zinc/88/22/61/586882261.db2.gz KDQJZHJSTWJGSY-LLVKDONJSA-N 0 0 249.345 3.754 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NCC(C)(F)F ZINC000818261253 586882356 /nfs/dbraw/zinc/88/23/56/586882356.db2.gz KDQJZHJSTWJGSY-NSHDSACASA-N 0 0 249.345 3.754 20 0 BHADRN CCCCC[C@@H](C(=O)NCC[C@@H](C)F)C(C)C ZINC000818286964 586883604 /nfs/dbraw/zinc/88/36/04/586883604.db2.gz GNNNNPVTYHZNGM-CHWSQXEVSA-N 0 0 245.382 3.703 20 0 BHADRN CCCCC[C@H](C(=O)NCC[C@@H](C)F)C(C)C ZINC000818286965 586883450 /nfs/dbraw/zinc/88/34/50/586883450.db2.gz GNNNNPVTYHZNGM-OLZOCXBDSA-N 0 0 245.382 3.703 20 0 BHADRN CCCCC[C@@H](C(=O)NCC[C@H](C)F)C(C)C ZINC000818286967 586883170 /nfs/dbraw/zinc/88/31/70/586883170.db2.gz GNNNNPVTYHZNGM-QWHCGFSZSA-N 0 0 245.382 3.703 20 0 BHADRN CCCCC[C@H](C(=O)NCC[C@H](C)F)C(C)C ZINC000818286968 586883423 /nfs/dbraw/zinc/88/34/23/586883423.db2.gz GNNNNPVTYHZNGM-STQMWFEESA-N 0 0 245.382 3.703 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)NCC[C@@H](C)F ZINC000818290652 586883751 /nfs/dbraw/zinc/88/37/51/586883751.db2.gz HLQFGRXKESDAGJ-CHWSQXEVSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)NCC[C@H](C)F ZINC000818290653 586883777 /nfs/dbraw/zinc/88/37/77/586883777.db2.gz HLQFGRXKESDAGJ-OLZOCXBDSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCCC[C@H](C)CC(=O)NCC[C@@H](C)F ZINC000818290654 586884247 /nfs/dbraw/zinc/88/42/47/586884247.db2.gz HLQFGRXKESDAGJ-QWHCGFSZSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCCC[C@H](C)CC(=O)NCC[C@H](C)F ZINC000818290655 586883835 /nfs/dbraw/zinc/88/38/35/586883835.db2.gz HLQFGRXKESDAGJ-STQMWFEESA-N 0 0 245.382 3.847 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NCC[C@H](C)F ZINC000818290818 586883850 /nfs/dbraw/zinc/88/38/50/586883850.db2.gz HNJUPNPAYJRTCS-GXTWGEPZSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NCC[C@H](C)F ZINC000818290819 586881954 /nfs/dbraw/zinc/88/19/54/586881954.db2.gz HNJUPNPAYJRTCS-JSGCOSHPSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)NCC[C@@H](C)F ZINC000818290820 586882330 /nfs/dbraw/zinc/88/23/30/586882330.db2.gz HNJUPNPAYJRTCS-OCCSQVGLSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)NCC[C@@H](C)F ZINC000818290821 586882314 /nfs/dbraw/zinc/88/23/14/586882314.db2.gz HNJUPNPAYJRTCS-TZMCWYRMSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NCC[C@@H](C)F ZINC000818297962 586884905 /nfs/dbraw/zinc/88/49/05/586884905.db2.gz NSRDMPHRPSAXEI-CHWSQXEVSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NCC[C@@H](C)F ZINC000818298063 586884810 /nfs/dbraw/zinc/88/48/10/586884810.db2.gz NSRDMPHRPSAXEI-OLZOCXBDSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)NCC[C@H](C)F ZINC000818298064 586884571 /nfs/dbraw/zinc/88/45/71/586884571.db2.gz NSRDMPHRPSAXEI-QWHCGFSZSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCCC[C@H](CC)C(=O)NCC[C@H](C)F ZINC000818298065 586884824 /nfs/dbraw/zinc/88/48/24/586884824.db2.gz NSRDMPHRPSAXEI-STQMWFEESA-N 0 0 245.382 3.847 20 0 BHADRN CCN(C[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000818327436 586886585 /nfs/dbraw/zinc/88/65/85/586886585.db2.gz DSJIDUGLCPRRHF-JTQLQIEISA-N 0 0 244.165 3.707 20 0 BHADRN CCN(C[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000818327437 586886823 /nfs/dbraw/zinc/88/68/23/586886823.db2.gz DSJIDUGLCPRRHF-SNVBAGLBSA-N 0 0 244.165 3.707 20 0 BHADRN CC(C)=C(C)C(=O)NC(C)(C)c1ccccc1C ZINC000818330376 586886678 /nfs/dbraw/zinc/88/66/78/586886678.db2.gz CLADJLNUFUSSCA-UHFFFAOYSA-N 0 0 245.366 3.703 20 0 BHADRN CC/C=C(/C)C(=O)NC(C)(C)c1ccccc1C ZINC000818331497 586886752 /nfs/dbraw/zinc/88/67/52/586886752.db2.gz JHKFPNYPVSDUAE-LCYFTJDESA-N 0 0 245.366 3.703 20 0 BHADRN CC/C=C(\C)C(=O)NC(C)(C)c1ccccc1C ZINC000818331499 586886690 /nfs/dbraw/zinc/88/66/90/586886690.db2.gz JHKFPNYPVSDUAE-UKTHLTGXSA-N 0 0 245.366 3.703 20 0 BHADRN CCC/C=C\C(=O)NC(C)(C)c1ccccc1C ZINC000818333237 586886736 /nfs/dbraw/zinc/88/67/36/586886736.db2.gz YCMJRQHYVVRREK-GHXNOFRVSA-N 0 0 245.366 3.703 20 0 BHADRN CCC/C=C/C(=O)NC(C)(C)c1ccccc1C ZINC000818333238 586886420 /nfs/dbraw/zinc/88/64/20/586886420.db2.gz YCMJRQHYVVRREK-KPKJPENVSA-N 0 0 245.366 3.703 20 0 BHADRN C/C=C(\CC)C(=O)NC(C)(C)c1ccccc1C ZINC000818337903 586886909 /nfs/dbraw/zinc/88/69/09/586886909.db2.gz WABYPAPSBNIKOY-AWNIVKPZSA-N 0 0 245.366 3.703 20 0 BHADRN C/C=C(/CC)C(=O)NC(C)(C)c1ccccc1C ZINC000818337904 586886844 /nfs/dbraw/zinc/88/68/44/586886844.db2.gz WABYPAPSBNIKOY-MLPAPPSSSA-N 0 0 245.366 3.703 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC1(C(C)C)CC1 ZINC000818354587 584995565 /nfs/dbraw/zinc/99/55/65/584995565.db2.gz AADBQJYHEDAWFO-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC1(C(C)C)CC1 ZINC000818354588 584995859 /nfs/dbraw/zinc/99/58/59/584995859.db2.gz AADBQJYHEDAWFO-ZDUSSCGKSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)C1(NC(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000818354976 586888431 /nfs/dbraw/zinc/88/84/31/586888431.db2.gz KDDZOJRJFJYSHQ-UHFFFAOYSA-N 0 0 249.398 3.818 20 0 BHADRN CC(C)CCCCCC(=O)NC1(C(C)C)CC1 ZINC000818355228 586887963 /nfs/dbraw/zinc/88/79/63/586887963.db2.gz LNCHKBQQUREMDQ-UHFFFAOYSA-N 0 0 239.403 3.898 20 0 BHADRN CCCC(=CC(=O)NC1(C(C)C)CC1)CCC ZINC000818355800 586888452 /nfs/dbraw/zinc/88/84/52/586888452.db2.gz SGDQLUHMVDHHRM-UHFFFAOYSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NC1(C(C)C)CC1 ZINC000818356193 586888375 /nfs/dbraw/zinc/88/83/75/586888375.db2.gz WYIZYNMWYCEGLQ-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCC[C@H](C)CC(=O)NC1(C(C)C)CC1 ZINC000818356194 586887915 /nfs/dbraw/zinc/88/79/15/586887915.db2.gz WYIZYNMWYCEGLQ-ZDUSSCGKSA-N 0 0 239.403 3.898 20 0 BHADRN CC(C)C1(NC(=O)C2CCCCCCC2)CC1 ZINC000818356363 586889242 /nfs/dbraw/zinc/88/92/42/586889242.db2.gz ZPBILRXXXAFYMF-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC1(C(C)C)CC1 ZINC000818360223 586889541 /nfs/dbraw/zinc/88/95/41/586889541.db2.gz UTZQXZCMBUNUBW-CYBMUJFWSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC1(C(C)C)CC1 ZINC000818360224 586889404 /nfs/dbraw/zinc/88/94/04/586889404.db2.gz UTZQXZCMBUNUBW-ZDUSSCGKSA-N 0 0 239.403 3.898 20 0 BHADRN CCC[C@@H](C)c1noc(C(F)=C2CCC2)n1 ZINC000818380757 586889775 /nfs/dbraw/zinc/88/97/75/586889775.db2.gz HPMBHLXQIDIYQD-MRVPVSSYSA-N 0 0 224.279 3.838 20 0 BHADRN CCC[C@H](C)c1noc(C(F)=C2CCC2)n1 ZINC000818380759 586889627 /nfs/dbraw/zinc/88/96/27/586889627.db2.gz HPMBHLXQIDIYQD-QMMMGPOBSA-N 0 0 224.279 3.838 20 0 BHADRN CCCCC[C@H](C(=O)N1C[C@H](C)[C@@H]1C)C(C)C ZINC000818460742 586891534 /nfs/dbraw/zinc/89/15/34/586891534.db2.gz ISCQEFBZQVZWQT-IHRRRGAJSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCC[C@H](C(=O)N1C[C@@H](C)[C@H]1C)C(C)C ZINC000818460743 586891481 /nfs/dbraw/zinc/89/14/81/586891481.db2.gz ISCQEFBZQVZWQT-MCIONIFRSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCC[C@H](C(=O)N1C[C@H](C)[C@H]1C)C(C)C ZINC000818460744 586891662 /nfs/dbraw/zinc/89/16/62/586891662.db2.gz ISCQEFBZQVZWQT-MJBXVCDLSA-N 0 0 239.403 3.706 20 0 BHADRN CCCCC[C@H](C(=O)N1C[C@@H](C)[C@@H]1C)C(C)C ZINC000818460745 586891298 /nfs/dbraw/zinc/89/12/98/586891298.db2.gz ISCQEFBZQVZWQT-RDBSUJKOSA-N 0 0 239.403 3.706 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2C[C@H](C)[C@@H]2C)cc1 ZINC000818465663 586892360 /nfs/dbraw/zinc/89/23/60/586892360.db2.gz GHTNMHBZHUMVOR-AVGNSLFASA-N 0 0 245.366 3.681 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2C[C@H](C)[C@H]2C)cc1 ZINC000818465667 586892222 /nfs/dbraw/zinc/89/22/22/586892222.db2.gz GHTNMHBZHUMVOR-RWMBFGLXSA-N 0 0 245.366 3.681 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)cc1 ZINC000818465669 586892380 /nfs/dbraw/zinc/89/23/80/586892380.db2.gz GHTNMHBZHUMVOR-XQQFMLRXSA-N 0 0 245.366 3.681 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2C[C@@H](C)[C@H]2C)cc1 ZINC000818465671 586892183 /nfs/dbraw/zinc/89/21/83/586892183.db2.gz GHTNMHBZHUMVOR-YNEHKIRRSA-N 0 0 245.366 3.681 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1C[C@@H](C)[C@H]1C ZINC000818465693 584995826 /nfs/dbraw/zinc/99/58/26/584995826.db2.gz GOSDTAVTRHKPEM-BFHYXJOUSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1C[C@H](C)[C@@H]1C ZINC000818465695 584996341 /nfs/dbraw/zinc/99/63/41/584996341.db2.gz GOSDTAVTRHKPEM-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1C[C@H](C)[C@H]1C ZINC000818465697 584996007 /nfs/dbraw/zinc/99/60/07/584996007.db2.gz GOSDTAVTRHKPEM-MELADBBJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1C[C@@H](C)[C@@H]1C ZINC000818465698 584996131 /nfs/dbraw/zinc/99/61/31/584996131.db2.gz GOSDTAVTRHKPEM-MJBXVCDLSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1C[C@H](C)[C@H]1C ZINC000818467461 586892945 /nfs/dbraw/zinc/89/29/45/586892945.db2.gz UJDHOGDIGJIGNS-GUTXKFCHSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1C[C@@H](C)[C@@H]1C ZINC000818467462 586893036 /nfs/dbraw/zinc/89/30/36/586893036.db2.gz UJDHOGDIGJIGNS-IPYPFGDCSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]1C ZINC000818467463 586893087 /nfs/dbraw/zinc/89/30/87/586893087.db2.gz UJDHOGDIGJIGNS-NFAWXSAZSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1C[C@H](C)[C@@H]1C ZINC000818467464 586892713 /nfs/dbraw/zinc/89/27/13/586892713.db2.gz UJDHOGDIGJIGNS-YDHLFZDLSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1C[C@H](C)[C@@H]1C ZINC000818472853 586893282 /nfs/dbraw/zinc/89/32/82/586893282.db2.gz QOLXCGLRZALVBF-IHRRRGAJSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1C[C@@H](C)[C@H]1C ZINC000818472854 586893545 /nfs/dbraw/zinc/89/35/45/586893545.db2.gz QOLXCGLRZALVBF-MCIONIFRSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1C[C@H](C)[C@H]1C ZINC000818472855 586893606 /nfs/dbraw/zinc/89/36/06/586893606.db2.gz QOLXCGLRZALVBF-MJBXVCDLSA-N 0 0 239.403 3.850 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1C[C@@H](C)[C@@H]1C ZINC000818472856 586893792 /nfs/dbraw/zinc/89/37/92/586893792.db2.gz QOLXCGLRZALVBF-RDBSUJKOSA-N 0 0 239.403 3.850 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000818546280 586899425 /nfs/dbraw/zinc/89/94/25/586899425.db2.gz FQLKHGDAGFFHRT-ADZHHRPISA-N 0 0 243.350 3.632 20 0 BHADRN C/C=C/C=C/C(=O)N[C@H](c1ccccc1)C(C)C ZINC000818546281 586899429 /nfs/dbraw/zinc/89/94/29/586899429.db2.gz FQLKHGDAGFFHRT-MMDLWPLWSA-N 0 0 243.350 3.632 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000818546282 586899646 /nfs/dbraw/zinc/89/96/46/586899646.db2.gz FQLKHGDAGFFHRT-WGKFMONXSA-N 0 0 243.350 3.632 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](c1ccccc1)C(C)C ZINC000818546283 586899512 /nfs/dbraw/zinc/89/95/12/586899512.db2.gz FQLKHGDAGFFHRT-XFXLXVMRSA-N 0 0 243.350 3.632 20 0 BHADRN C/C(=C\C(=O)Nc1cc(N)ccc1C)C(C)(C)C ZINC000818584492 586903039 /nfs/dbraw/zinc/90/30/39/586903039.db2.gz AEVTXGGDNNAYRT-DHZHZOJOSA-N 0 0 246.354 3.508 20 0 BHADRN C/C(=C/C(=O)Nc1cc(N)ccc1C)C(C)(C)C ZINC000818584493 586903078 /nfs/dbraw/zinc/90/30/78/586903078.db2.gz AEVTXGGDNNAYRT-FLIBITNWSA-N 0 0 246.354 3.508 20 0 BHADRN CCC[C@@H](C(=O)Nc1cc(N)ccc1C)C(C)C ZINC000818584505 586903172 /nfs/dbraw/zinc/90/31/72/586903172.db2.gz BGNKLQFJQHEMCT-CYBMUJFWSA-N 0 0 248.370 3.588 20 0 BHADRN CCC[C@H](C(=O)Nc1cc(N)ccc1C)C(C)C ZINC000818584506 586903535 /nfs/dbraw/zinc/90/35/35/586903535.db2.gz BGNKLQFJQHEMCT-ZDUSSCGKSA-N 0 0 248.370 3.588 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1cc(N)ccc1C ZINC000818584602 586903417 /nfs/dbraw/zinc/90/34/17/586903417.db2.gz DCSMBOFNOGZQPJ-UHFFFAOYSA-N 0 0 248.370 3.732 20 0 BHADRN Cc1ccc(N)cc1NC(=O)C(C)(C)CC(C)C ZINC000818584846 586903319 /nfs/dbraw/zinc/90/33/19/586903319.db2.gz HJHFLFUVIBGJLG-UHFFFAOYSA-N 0 0 248.370 3.588 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)Nc1cc(N)ccc1C ZINC000818585062 586903983 /nfs/dbraw/zinc/90/39/83/586903983.db2.gz RGSLQIQAHQXKMD-LLVKDONJSA-N 0 0 248.370 3.588 20 0 BHADRN CCC(CC)[C@H](C)C(=O)Nc1cc(N)ccc1C ZINC000818585063 586904201 /nfs/dbraw/zinc/90/42/01/586904201.db2.gz RGSLQIQAHQXKMD-NSHDSACASA-N 0 0 248.370 3.588 20 0 BHADRN COc1ccc(C(=O)OC2CCCCCC2)cc1 ZINC000818801377 586912507 /nfs/dbraw/zinc/91/25/07/586912507.db2.gz WBZGSLZZPYIUNH-UHFFFAOYSA-N 0 0 248.322 3.575 20 0 BHADRN C/C=C/C(=O)N(CCCC)[C@@H]1CCC[C@@H](C)C1 ZINC000818803074 586912453 /nfs/dbraw/zinc/91/24/53/586912453.db2.gz RGFNZYRIYQPETL-QLNSKBQOSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C\C(=O)N(CCCC)[C@@H]1CCC[C@H](C)C1 ZINC000818803075 586912180 /nfs/dbraw/zinc/91/21/80/586912180.db2.gz RGFNZYRIYQPETL-UIKBEFBESA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C/C(=O)N(CCCC)[C@@H]1CCC[C@H](C)C1 ZINC000818803076 586912531 /nfs/dbraw/zinc/91/25/31/586912531.db2.gz RGFNZYRIYQPETL-VTDTZARESA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C\C(=O)N(CCCC)[C@@H]1CCC[C@@H](C)C1 ZINC000818803077 586912356 /nfs/dbraw/zinc/91/23/56/586912356.db2.gz RGFNZYRIYQPETL-WNFXYAGKSA-N 0 0 237.387 3.770 20 0 BHADRN C/C=C/C=C\C(=O)N(C)c1cc(Cl)ccc1C ZINC000818808978 586913175 /nfs/dbraw/zinc/91/31/75/586913175.db2.gz FMVDUZGSZBUCMO-DEQVHDEQSA-N 0 0 249.741 3.744 20 0 BHADRN C/C=C/C=C/C(=O)N(C)c1cc(Cl)ccc1C ZINC000818808979 586912931 /nfs/dbraw/zinc/91/29/31/586912931.db2.gz FMVDUZGSZBUCMO-YTXTXJHMSA-N 0 0 249.741 3.744 20 0 BHADRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C/C1CC1 ZINC000818809013 586912793 /nfs/dbraw/zinc/91/27/93/586912793.db2.gz GTOUUVSPBDZMFW-SOFGYWHQSA-N 0 0 249.741 3.577 20 0 BHADRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C\C1CC1 ZINC000818809014 586912953 /nfs/dbraw/zinc/91/29/53/586912953.db2.gz GTOUUVSPBDZMFW-VURMDHGXSA-N 0 0 249.741 3.577 20 0 BHADRN Cc1ccc(Cl)cc1N(C)C(=O)C=C1CCC1 ZINC000818809728 586912929 /nfs/dbraw/zinc/91/29/29/586912929.db2.gz VBJBKYPZPANJLO-UHFFFAOYSA-N 0 0 249.741 3.722 20 0 BHADRN CC(C)=CC(=O)N(C)c1cc(Cl)ccc1C ZINC000818809971 586912736 /nfs/dbraw/zinc/91/27/36/586912736.db2.gz ZIJLFXBZMTYNIL-UHFFFAOYSA-N 0 0 237.730 3.577 20 0 BHADRN C/C=C(/C)C(=O)N(C)c1cc(Cl)ccc1C ZINC000818814661 586913114 /nfs/dbraw/zinc/91/31/14/586913114.db2.gz BZAMBFAUULLEEK-UITAMQMPSA-N 0 0 237.730 3.577 20 0 BHADRN C/C=C(\C)C(=O)N(C)c1cc(Cl)ccc1C ZINC000818814662 586913061 /nfs/dbraw/zinc/91/30/61/586913061.db2.gz BZAMBFAUULLEEK-WEVVVXLNSA-N 0 0 237.730 3.577 20 0 BHADRN C/C=C\C(=O)N(CCCC)[C@H](C)CCCC ZINC000818923549 586915961 /nfs/dbraw/zinc/91/59/61/586915961.db2.gz CGOQWWCMRCNQRO-PGJNLMOESA-N 0 0 225.376 3.770 20 0 BHADRN C/C=C/C(=O)N(CCCC)[C@@H](C)CCCC ZINC000818923551 586916196 /nfs/dbraw/zinc/91/61/96/586916196.db2.gz CGOQWWCMRCNQRO-RSPDNQDQSA-N 0 0 225.376 3.770 20 0 BHADRN C/C=C\C(=O)N(CCCC)[C@@H](C)CCCC ZINC000818923552 645001126 /nfs/dbraw/zinc/00/11/26/645001126.db2.gz CGOQWWCMRCNQRO-SZNGSJQDSA-N 0 0 225.376 3.770 20 0 BHADRN C/C=C/C(=O)N(CCCC)[C@H](C)CCCC ZINC000818923554 645001924 /nfs/dbraw/zinc/00/19/24/645001924.db2.gz CGOQWWCMRCNQRO-UTSBKAFOSA-N 0 0 225.376 3.770 20 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UCPIPKNVTNVBBY-OQFOIZHKSA-N 0 0 239.265 3.919 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccccc1C(F)F ZINC000819726322 585005739 /nfs/dbraw/zinc/00/57/39/585005739.db2.gz UCPIPKNVTNVBBY-YCRREMRBSA-N 0 0 239.265 3.919 20 0 BHADRN CC(C)[C@H](F)C(=O)Nc1ccccc1C(F)F ZINC000819726592 586988940 /nfs/dbraw/zinc/98/89/40/586988940.db2.gz WSGGVCPXYOMLCL-JTQLQIEISA-N 0 0 245.244 3.557 20 0 BHADRN CC(C)[C@@H](F)C(=O)Nc1ccccc1C(F)F ZINC000819726595 586989305 /nfs/dbraw/zinc/98/93/05/586989305.db2.gz WSGGVCPXYOMLCL-SNVBAGLBSA-N 0 0 245.244 3.557 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccccc1C(F)F ZINC000819726636 586989077 /nfs/dbraw/zinc/98/90/77/586989077.db2.gz XHRJCVBNQLGBKG-UHFFFAOYSA-N 0 0 239.265 3.919 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccccc1C(F)F ZINC000819726677 586989277 /nfs/dbraw/zinc/98/92/77/586989277.db2.gz XYAZRPYOGQHCIR-CMDGGOBGSA-N 0 0 239.265 3.919 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccccc1C(F)F ZINC000819726679 586989233 /nfs/dbraw/zinc/98/92/33/586989233.db2.gz XYAZRPYOGQHCIR-HJWRWDBZSA-N 0 0 239.265 3.919 20 0 BHADRN CC(C)=CC(=O)Nc1ccccc1C(F)F ZINC000819727362 586989259 /nfs/dbraw/zinc/98/92/59/586989259.db2.gz BBWAJPKROKVXDT-UHFFFAOYSA-N 0 0 225.238 3.529 20 0 BHADRN CCC/C=C/C(=O)Nc1ccccc1C(F)F ZINC000819728949 586988706 /nfs/dbraw/zinc/98/87/06/586988706.db2.gz VNDRRROYXQHWSE-RUDMXATFSA-N 0 0 239.265 3.919 20 0 BHADRN CCC/C=C\C(=O)Nc1ccccc1C(F)F ZINC000819728950 586989168 /nfs/dbraw/zinc/98/91/68/586989168.db2.gz VNDRRROYXQHWSE-WTKPLQERSA-N 0 0 239.265 3.919 20 0 BHADRN C/C=C/C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC000819748889 645014822 /nfs/dbraw/zinc/01/48/22/645014822.db2.gz GNDFQGWNUZQXKZ-PXYYCUNGSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C\C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000819748890 645014811 /nfs/dbraw/zinc/01/48/11/645014811.db2.gz GNDFQGWNUZQXKZ-SMGNDMQFSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C\C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC000819748891 645014468 /nfs/dbraw/zinc/01/44/68/645014468.db2.gz GNDFQGWNUZQXKZ-VCDPDADVSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C/C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000819748892 645014167 /nfs/dbraw/zinc/01/41/67/645014167.db2.gz GNDFQGWNUZQXKZ-YOIVXCQUSA-N 0 0 243.350 3.562 20 0 BHADRN CCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000819794850 586995328 /nfs/dbraw/zinc/99/53/28/586995328.db2.gz IEQYAAKYUWCIFT-FQUUOJAGSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000819794853 586995153 /nfs/dbraw/zinc/99/51/53/586995153.db2.gz IEQYAAKYUWCIFT-YIYPIFLZSA-N 0 0 237.387 3.508 20 0 BHADRN CC(C)CCCCCC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000819795523 586995170 /nfs/dbraw/zinc/99/51/70/586995170.db2.gz LKWVGNLRLOANPA-BTTYYORXSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000819795590 586995225 /nfs/dbraw/zinc/99/52/25/586995225.db2.gz NPIIFUQMCJBRQX-FQUUOJAGSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000819795591 586995227 /nfs/dbraw/zinc/99/52/27/586995227.db2.gz NPIIFUQMCJBRQX-YIYPIFLZSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000819796170 586995564 /nfs/dbraw/zinc/99/55/64/586995564.db2.gz XWCIJVQZPQORGD-CLLJXQQHSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000819797451 586995426 /nfs/dbraw/zinc/99/54/26/586995426.db2.gz CARCCVXNLWDPMH-FQUUOJAGSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000819797452 586995582 /nfs/dbraw/zinc/99/55/82/586995582.db2.gz CARCCVXNLWDPMH-YIYPIFLZSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000819797645 586995506 /nfs/dbraw/zinc/99/55/06/586995506.db2.gz BBNSQVKCUQGICR-BYCMXARLSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H](CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000819797646 586995622 /nfs/dbraw/zinc/99/56/22/586995622.db2.gz BBNSQVKCUQGICR-TUKIKUTGSA-N 0 0 249.398 3.508 20 0 BHADRN O=C(C=C1CCCC1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000819797906 586995639 /nfs/dbraw/zinc/99/56/39/586995639.db2.gz LSFQLLSYMCDSDJ-LSDHHAIUSA-N 0 0 247.382 3.572 20 0 BHADRN CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C1CCCCC1 ZINC000819798879 645018390 /nfs/dbraw/zinc/01/83/90/645018390.db2.gz PPVMWANZLVTYGZ-DABQJJPHSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)=C1CCC1 ZINC000819799111 645018245 /nfs/dbraw/zinc/01/82/45/645018245.db2.gz GWQZNRJJZDSCBU-LSDHHAIUSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(Oc1cccc(Cl)c1)C(F)=C1CCC1 ZINC000819942483 587003970 /nfs/dbraw/zinc/00/39/70/587003970.db2.gz XWOSWEZPHUKRSR-UHFFFAOYSA-N 0 0 240.661 3.653 20 0 BHADRN Fc1cccc2c(N[C@@H]3C[C@H]4C[C@H]4C3)ccnc12 ZINC000819960972 587007838 /nfs/dbraw/zinc/00/78/38/587007838.db2.gz KXUCHYNPWLQFCB-JGPRNRPPSA-N 0 0 242.297 3.584 20 0 BHADRN C[C@H](OC(=O)C(F)=C1CCC1)c1ccccc1 ZINC000819964913 587008546 /nfs/dbraw/zinc/00/85/46/587008546.db2.gz WZCKNQHFDZZGJZ-JTQLQIEISA-N 0 0 234.270 3.698 20 0 BHADRN C[C@@H](OC(=O)C(F)=C1CCC1)c1ccccc1 ZINC000819964914 587008574 /nfs/dbraw/zinc/00/85/74/587008574.db2.gz 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/nfs/dbraw/zinc/09/97/72/587099772.db2.gz LRUAMWJRQOMOOX-ZDUSSCGKSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C)=CCC[C@H](C)NC(=O)[C@]1(C)C=CCC1 ZINC000821174732 587099939 /nfs/dbraw/zinc/09/99/39/587099939.db2.gz XNWCOJDURWAUFQ-DZGCQCFKSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C)=CCC[C@@H](C)NC(=O)[C@@]1(C)C=CCC1 ZINC000821174733 587099797 /nfs/dbraw/zinc/09/97/97/587099797.db2.gz XNWCOJDURWAUFQ-HIFRSBDPSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C)=CCC[C@@H](C)NC(=O)[C@]1(C)C=CCC1 ZINC000821174734 587099897 /nfs/dbraw/zinc/09/98/97/587099897.db2.gz XNWCOJDURWAUFQ-UKRRQHHQSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C)=CCC[C@H](C)NC(=O)[C@@]1(C)C=CCC1 ZINC000821174735 587100113 /nfs/dbraw/zinc/10/01/13/587100113.db2.gz XNWCOJDURWAUFQ-ZFWWWQNUSA-N 0 0 235.371 3.594 20 0 BHADRN CCC[C@@H](CC)C(=O)Nc1ncccc1C(C)C ZINC000821247351 587103883 /nfs/dbraw/zinc/10/38/83/587103883.db2.gz PMNIYBZVLILCQO-GFCCVEGCSA-N 0 0 248.370 3.970 20 0 BHADRN CCC[C@H](CC)C(=O)Nc1ncccc1C(C)C ZINC000821247353 587103770 /nfs/dbraw/zinc/10/37/70/587103770.db2.gz PMNIYBZVLILCQO-LBPRGKRZSA-N 0 0 248.370 3.970 20 0 BHADRN CC(C)=C(C)CC(=O)Nc1ncccc1C(C)C ZINC000821248312 587103330 /nfs/dbraw/zinc/10/33/30/587103330.db2.gz WYZCPESTTWXUEG-UHFFFAOYSA-N 0 0 246.354 3.890 20 0 BHADRN CCCN(CC)C(=O)c1ccccc1C(C)C ZINC000821336237 587109099 /nfs/dbraw/zinc/10/90/99/587109099.db2.gz UQZPISGBXGKWET-UHFFFAOYSA-N 0 0 233.355 3.682 20 0 BHADRN CC(C)CN(C)C(=O)c1ccccc1C(C)C ZINC000821336315 587109003 /nfs/dbraw/zinc/10/90/03/587109003.db2.gz XPENVJGEVVIABE-UHFFFAOYSA-N 0 0 233.355 3.538 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C(\C)c1ccco1 ZINC000821340968 587109261 /nfs/dbraw/zinc/10/92/61/587109261.db2.gz KOIGYKCLBHPDBP-JLHYYAGUSA-N 0 0 249.354 3.578 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C(/C)c1ccco1 ZINC000821340969 587109439 /nfs/dbraw/zinc/10/94/39/587109439.db2.gz KOIGYKCLBHPDBP-RAXLEYEMSA-N 0 0 249.354 3.578 20 0 BHADRN Cc1nocc1CN(c1ccc(C)cc1)C(C)C ZINC000821390372 587115366 /nfs/dbraw/zinc/11/53/66/587115366.db2.gz AMIFVHMPACWDAV-UHFFFAOYSA-N 0 0 244.338 3.706 20 0 BHADRN Cc1nc(CN(c2ccc(C)cc2)C(C)C)co1 ZINC000821391469 587115991 /nfs/dbraw/zinc/11/59/91/587115991.db2.gz LWHYVPKZELGXEP-UHFFFAOYSA-N 0 0 244.338 3.706 20 0 BHADRN CCN(Cc1conc1C)c1ccc(C)cc1C ZINC000821391729 587116084 /nfs/dbraw/zinc/11/60/84/587116084.db2.gz PYFRHHWNEHWFBF-UHFFFAOYSA-N 0 0 244.338 3.626 20 0 BHADRN CCN(Cc1coc(C)n1)c1ccc(C)cc1C ZINC000821392494 587115996 /nfs/dbraw/zinc/11/59/96/587115996.db2.gz ZXEUDKFTNACBHN-UHFFFAOYSA-N 0 0 244.338 3.626 20 0 BHADRN CCC[C@H](CC)C(=O)NC1CCC(F)(F)CC1 ZINC000821399832 587116996 /nfs/dbraw/zinc/11/69/96/587116996.db2.gz RJDNPNZRETZUJS-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@H](CC)C(=O)NC1CCC(F)(F)CC1 ZINC000821399833 587117450 /nfs/dbraw/zinc/11/74/50/587117450.db2.gz RJDNPNZRETZUJS-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN C[C@H](COC(=O)[C@H]1CCCC[C@H]1C)CC(F)F ZINC000821410354 587118044 /nfs/dbraw/zinc/11/80/44/587118044.db2.gz PVWQABRZRSMLLP-AXFHLTTASA-N 0 0 248.313 3.647 20 0 BHADRN C[C@H](COC(=O)[C@H]1CCCC[C@@H]1C)CC(F)F ZINC000821410360 587118312 /nfs/dbraw/zinc/11/83/12/587118312.db2.gz PVWQABRZRSMLLP-DCAQKATOSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@H](COC(=O)[C@@H]1CCCC[C@@H]1C)CC(F)F ZINC000821410361 587118087 /nfs/dbraw/zinc/11/80/87/587118087.db2.gz PVWQABRZRSMLLP-GARJFASQSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@H](COC(=O)[C@@H]1CCCC[C@H]1C)CC(F)F ZINC000821410362 587118307 /nfs/dbraw/zinc/11/83/07/587118307.db2.gz PVWQABRZRSMLLP-HBNTYKKESA-N 0 0 248.313 3.647 20 0 BHADRN CCN(C(=O)C1CC2(CC2)C1)c1ccc(C)cc1 ZINC000821432818 587119914 /nfs/dbraw/zinc/11/99/14/587119914.db2.gz KAKJLFQJCLBSNC-UHFFFAOYSA-N 0 0 243.350 3.538 20 0 BHADRN CCCCC1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000821468036 587121125 /nfs/dbraw/zinc/12/11/25/587121125.db2.gz SKLXMRVDSZYTEU-OKILXGFUSA-N 0 0 249.398 3.605 20 0 BHADRN CCCCCCC(=O)OC[C@@H](C)c1ccccn1 ZINC000821485577 587121820 /nfs/dbraw/zinc/12/18/20/587121820.db2.gz ZQEYAWYQOHXSPU-CYBMUJFWSA-N 0 0 249.354 3.699 20 0 BHADRN CCCCCCC(=O)OC[C@H](C)c1ccccn1 ZINC000821485578 587121956 /nfs/dbraw/zinc/12/19/56/587121956.db2.gz ZQEYAWYQOHXSPU-ZDUSSCGKSA-N 0 0 249.354 3.699 20 0 BHADRN CCC[C@@H](C)CC(=O)OC[C@@H](C)c1ccccn1 ZINC000821490159 587122265 /nfs/dbraw/zinc/12/22/65/587122265.db2.gz KOGUTQPBHGLPQJ-CHWSQXEVSA-N 0 0 249.354 3.555 20 0 BHADRN CCC[C@@H](C)CC(=O)OC[C@H](C)c1ccccn1 ZINC000821490160 587122366 /nfs/dbraw/zinc/12/23/66/587122366.db2.gz KOGUTQPBHGLPQJ-OLZOCXBDSA-N 0 0 249.354 3.555 20 0 BHADRN CCC[C@H](C)CC(=O)OC[C@@H](C)c1ccccn1 ZINC000821490161 587122282 /nfs/dbraw/zinc/12/22/82/587122282.db2.gz KOGUTQPBHGLPQJ-QWHCGFSZSA-N 0 0 249.354 3.555 20 0 BHADRN CCC[C@H](C)CC(=O)OC[C@H](C)c1ccccn1 ZINC000821490162 587122410 /nfs/dbraw/zinc/12/24/10/587122410.db2.gz KOGUTQPBHGLPQJ-STQMWFEESA-N 0 0 249.354 3.555 20 0 BHADRN C[C@H](COC(=O)CCC(C)(C)C)c1ccccn1 ZINC000821493862 587122783 /nfs/dbraw/zinc/12/27/83/587122783.db2.gz DGAHETCZSAECPF-GFCCVEGCSA-N 0 0 249.354 3.555 20 0 BHADRN C[C@@H](COC(=O)CCC(C)(C)C)c1ccccn1 ZINC000821493863 587122661 /nfs/dbraw/zinc/12/26/61/587122661.db2.gz DGAHETCZSAECPF-LBPRGKRZSA-N 0 0 249.354 3.555 20 0 BHADRN CCC(C)(C)CC(=O)OC[C@@H](C)c1ccccn1 ZINC000821495052 587122651 /nfs/dbraw/zinc/12/26/51/587122651.db2.gz NFGJVCTTXAVXQN-GFCCVEGCSA-N 0 0 249.354 3.555 20 0 BHADRN CCC(C)(C)CC(=O)OC[C@H](C)c1ccccn1 ZINC000821495053 587122859 /nfs/dbraw/zinc/12/28/59/587122859.db2.gz NFGJVCTTXAVXQN-LBPRGKRZSA-N 0 0 249.354 3.555 20 0 BHADRN CCC(CC)CC(=O)OC[C@@H](C)c1ccccn1 ZINC000821495478 587122864 /nfs/dbraw/zinc/12/28/64/587122864.db2.gz RDHWJXBWVMYXMX-GFCCVEGCSA-N 0 0 249.354 3.555 20 0 BHADRN CCC(CC)CC(=O)OC[C@H](C)c1ccccn1 ZINC000821495479 587122726 /nfs/dbraw/zinc/12/27/26/587122726.db2.gz RDHWJXBWVMYXMX-LBPRGKRZSA-N 0 0 249.354 3.555 20 0 BHADRN CC(C)c1ccccc1C(=O)NCC1CCCC1 ZINC000821504394 587123014 /nfs/dbraw/zinc/12/30/14/587123014.db2.gz DDDMIBOTGNQZPV-UHFFFAOYSA-N 0 0 245.366 3.730 20 0 BHADRN CCC(C)(CC)C(=O)OC[C@@H](C)c1ccccn1 ZINC000821506956 587123420 /nfs/dbraw/zinc/12/34/20/587123420.db2.gz PGKMQWYPLCUQQW-GFCCVEGCSA-N 0 0 249.354 3.555 20 0 BHADRN CCC(C)(CC)C(=O)OC[C@H](C)c1ccccn1 ZINC000821506957 587123750 /nfs/dbraw/zinc/12/37/50/587123750.db2.gz PGKMQWYPLCUQQW-LBPRGKRZSA-N 0 0 249.354 3.555 20 0 BHADRN CC(C)c1ccc(NC(=O)N2C[C@@H](C)[C@@H]2C)cc1 ZINC000821508168 587123623 /nfs/dbraw/zinc/12/36/23/587123623.db2.gz NZGVAAJMPWXNBA-NEPJUHHUSA-N 0 0 246.354 3.682 20 0 BHADRN CC(C)c1ccc(NC(=O)N2C[C@H](C)[C@H]2C)cc1 ZINC000821508169 587123484 /nfs/dbraw/zinc/12/34/84/587123484.db2.gz NZGVAAJMPWXNBA-NWDGAFQWSA-N 0 0 246.354 3.682 20 0 BHADRN CC(C)c1ccc(NC(=O)N2C[C@H](C)[C@@H]2C)cc1 ZINC000821508170 587123699 /nfs/dbraw/zinc/12/36/99/587123699.db2.gz NZGVAAJMPWXNBA-RYUDHWBXSA-N 0 0 246.354 3.682 20 0 BHADRN CC(C)c1ccc(NC(=O)N2C[C@@H](C)[C@H]2C)cc1 ZINC000821508171 587123573 /nfs/dbraw/zinc/12/35/73/587123573.db2.gz NZGVAAJMPWXNBA-VXGBXAGGSA-N 0 0 246.354 3.682 20 0 BHADRN CC(C)c1cccc(NC(=O)N2C[C@@H](C)[C@@H]2C)c1 ZINC000821513708 587124273 /nfs/dbraw/zinc/12/42/73/587124273.db2.gz SDWNSHOJJBVVEM-NEPJUHHUSA-N 0 0 246.354 3.682 20 0 BHADRN CC(C)c1cccc(NC(=O)N2C[C@H](C)[C@H]2C)c1 ZINC000821513709 587124278 /nfs/dbraw/zinc/12/42/78/587124278.db2.gz SDWNSHOJJBVVEM-NWDGAFQWSA-N 0 0 246.354 3.682 20 0 BHADRN CC(C)c1cccc(NC(=O)N2C[C@H](C)[C@@H]2C)c1 ZINC000821513765 587124276 /nfs/dbraw/zinc/12/42/76/587124276.db2.gz SDWNSHOJJBVVEM-RYUDHWBXSA-N 0 0 246.354 3.682 20 0 BHADRN CC(C)c1cccc(NC(=O)N2C[C@@H](C)[C@H]2C)c1 ZINC000821513766 587124269 /nfs/dbraw/zinc/12/42/69/587124269.db2.gz SDWNSHOJJBVVEM-VXGBXAGGSA-N 0 0 246.354 3.682 20 0 BHADRN CCCC[C@@H](C)C(=O)OC[C@@H](C)c1ccccn1 ZINC000821514000 587124413 /nfs/dbraw/zinc/12/44/13/587124413.db2.gz MLCHJUVYNZBJGL-CHWSQXEVSA-N 0 0 249.354 3.555 20 0 BHADRN CCCC[C@@H](C)C(=O)OC[C@H](C)c1ccccn1 ZINC000821514001 587124452 /nfs/dbraw/zinc/12/44/52/587124452.db2.gz MLCHJUVYNZBJGL-OLZOCXBDSA-N 0 0 249.354 3.555 20 0 BHADRN CCCC[C@H](C)C(=O)OC[C@@H](C)c1ccccn1 ZINC000821514002 587124048 /nfs/dbraw/zinc/12/40/48/587124048.db2.gz MLCHJUVYNZBJGL-QWHCGFSZSA-N 0 0 249.354 3.555 20 0 BHADRN CCCC[C@H](C)C(=O)OC[C@H](C)c1ccccn1 ZINC000821514003 587124043 /nfs/dbraw/zinc/12/40/43/587124043.db2.gz MLCHJUVYNZBJGL-STQMWFEESA-N 0 0 249.354 3.555 20 0 BHADRN CC[C@@H](C)CCC(=O)OC[C@@H](C)c1ccccn1 ZINC000821514362 587124128 /nfs/dbraw/zinc/12/41/28/587124128.db2.gz RIUGEHWPEFBRCJ-CHWSQXEVSA-N 0 0 249.354 3.555 20 0 BHADRN CC[C@@H](C)CCC(=O)OC[C@H](C)c1ccccn1 ZINC000821514364 587124205 /nfs/dbraw/zinc/12/42/05/587124205.db2.gz RIUGEHWPEFBRCJ-OLZOCXBDSA-N 0 0 249.354 3.555 20 0 BHADRN CC[C@H](C)CCC(=O)OC[C@@H](C)c1ccccn1 ZINC000821514365 587124049 /nfs/dbraw/zinc/12/40/49/587124049.db2.gz RIUGEHWPEFBRCJ-QWHCGFSZSA-N 0 0 249.354 3.555 20 0 BHADRN CC[C@H](C)CCC(=O)OC[C@H](C)c1ccccn1 ZINC000821514366 587124203 /nfs/dbraw/zinc/12/42/03/587124203.db2.gz RIUGEHWPEFBRCJ-STQMWFEESA-N 0 0 249.354 3.555 20 0 BHADRN CCCc1ccccc1NC(=O)N1C[C@@H](C)[C@@H]1C ZINC000821519192 587124922 /nfs/dbraw/zinc/12/49/22/587124922.db2.gz BJBLADGPXGBMKL-NEPJUHHUSA-N 0 0 246.354 3.511 20 0 BHADRN CCCc1ccccc1NC(=O)N1C[C@H](C)[C@H]1C ZINC000821519193 587124506 /nfs/dbraw/zinc/12/45/06/587124506.db2.gz BJBLADGPXGBMKL-NWDGAFQWSA-N 0 0 246.354 3.511 20 0 BHADRN CCCc1ccccc1NC(=O)N1C[C@H](C)[C@@H]1C ZINC000821519194 587124671 /nfs/dbraw/zinc/12/46/71/587124671.db2.gz BJBLADGPXGBMKL-RYUDHWBXSA-N 0 0 246.354 3.511 20 0 BHADRN CCCc1ccccc1NC(=O)N1C[C@@H](C)[C@H]1C ZINC000821519195 587124637 /nfs/dbraw/zinc/12/46/37/587124637.db2.gz BJBLADGPXGBMKL-VXGBXAGGSA-N 0 0 246.354 3.511 20 0 BHADRN CC(C)CCCC(=O)OC[C@@H](C)c1ccccn1 ZINC000821523850 587125055 /nfs/dbraw/zinc/12/50/55/587125055.db2.gz ZKNJKTVKHRXNQB-CYBMUJFWSA-N 0 0 249.354 3.555 20 0 BHADRN CC(C)CCCC(=O)OC[C@H](C)c1ccccn1 ZINC000821523851 587125411 /nfs/dbraw/zinc/12/54/11/587125411.db2.gz ZKNJKTVKHRXNQB-ZDUSSCGKSA-N 0 0 249.354 3.555 20 0 BHADRN 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ANBCNARBYSRDSM-CABCVRRESA-N 0 0 242.318 3.516 20 0 BHADRN O=C(Oc1cccc(C2CC2)c1)C1(F)CCCC1 ZINC000822159101 587157575 /nfs/dbraw/zinc/15/75/75/587157575.db2.gz DXCSGVPJPGXHQE-UHFFFAOYSA-N 0 0 248.297 3.752 20 0 BHADRN O=C(CCC(F)F)Oc1cccc(C2CC2)c1 ZINC000822159418 587157440 /nfs/dbraw/zinc/15/74/40/587157440.db2.gz GOMAPBHLMTYLQJ-UHFFFAOYSA-N 0 0 240.249 3.515 20 0 BHADRN CC1(CC(=O)Oc2cccc(C3CC3)c2)CC1 ZINC000822159918 587157329 /nfs/dbraw/zinc/15/73/29/587157329.db2.gz IFWLGIOMGCXGAL-UHFFFAOYSA-N 0 0 230.307 3.660 20 0 BHADRN O=C(Oc1cccc(C2CC2)c1)C1(CCF)CC1 ZINC000822161491 587157488 /nfs/dbraw/zinc/15/74/88/587157488.db2.gz WJPHFYODNHRSJF-UHFFFAOYSA-N 0 0 248.297 3.609 20 0 BHADRN O=C(Oc1cccc(C2CC2)c1)C1=CCCC1 ZINC000822165564 587157357 /nfs/dbraw/zinc/15/73/57/587157357.db2.gz AKZUYMQLKGYQBD-UHFFFAOYSA-N 0 0 228.291 3.580 20 0 BHADRN O=C(C=C1CCC1)Oc1cccc(C2CC2)c1 ZINC000822166026 585025542 /nfs/dbraw/zinc/02/55/42/585025542.db2.gz DZZFYQHYZOEELW-UHFFFAOYSA-N 0 0 228.291 3.580 20 0 BHADRN C[C@H](C(=O)Oc1cccc(C2CC2)c1)C1CC1 ZINC000822166099 587157562 /nfs/dbraw/zinc/15/75/62/587157562.db2.gz FTFSXVCVNNYDDF-JTQLQIEISA-N 0 0 230.307 3.516 20 0 BHADRN C[C@@H](C(=O)Oc1cccc(C2CC2)c1)C1CC1 ZINC000822166100 587157311 /nfs/dbraw/zinc/15/73/11/587157311.db2.gz FTFSXVCVNNYDDF-SNVBAGLBSA-N 0 0 230.307 3.516 20 0 BHADRN O=C(CCC1CC1)Oc1cccc(C2CC2)c1 ZINC000822166550 587157299 /nfs/dbraw/zinc/15/72/99/587157299.db2.gz IFMMOZFGOUUPBI-UHFFFAOYSA-N 0 0 230.307 3.660 20 0 BHADRN CCC1(C(=O)Oc2cccc(C3CC3)c2)CC1 ZINC000822166784 587157683 /nfs/dbraw/zinc/15/76/83/587157683.db2.gz JYENTXJJAZSUBA-UHFFFAOYSA-N 0 0 230.307 3.660 20 0 BHADRN CC1(C(=O)Oc2cccc(C3CC3)c2)CCC1 ZINC000822166828 587157781 /nfs/dbraw/zinc/15/77/81/587157781.db2.gz LEIFFILQMKYWLP-UHFFFAOYSA-N 0 0 230.307 3.660 20 0 BHADRN O=C(CC1CCC1)Oc1cccc(C2CC2)c1 ZINC000822167919 587157729 /nfs/dbraw/zinc/15/77/29/587157729.db2.gz VOHQKWXAVSJBRH-UHFFFAOYSA-N 0 0 230.307 3.660 20 0 BHADRN O=C(Oc1cccc(C2CC2)c1)[C@@H]1CC12CCC2 ZINC000822168064 587157825 /nfs/dbraw/zinc/15/78/25/587157825.db2.gz WESPCIGFHDJBGX-AWEZNQCLSA-N 0 0 242.318 3.660 20 0 BHADRN O=C(Oc1cccc(C2CC2)c1)[C@H]1CC12CCC2 ZINC000822168068 587157891 /nfs/dbraw/zinc/15/78/91/587157891.db2.gz WESPCIGFHDJBGX-CQSZACIVSA-N 0 0 242.318 3.660 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc(F)cc1Cl ZINC000822170095 587157641 /nfs/dbraw/zinc/15/76/41/587157641.db2.gz BVXAZFBYUVKDQE-SOFGYWHQSA-N 0 0 241.693 3.774 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccc(F)cc1Cl ZINC000822170106 587157707 /nfs/dbraw/zinc/15/77/07/587157707.db2.gz BVXAZFBYUVKDQE-VURMDHGXSA-N 0 0 241.693 3.774 20 0 BHADRN CC/C(C)=C\C(=O)Nc1cc(C)cc(C)c1 ZINC000822171713 587157634 /nfs/dbraw/zinc/15/76/34/587157634.db2.gz ZGCFBXQWUMKUKF-KTKRTIGZSA-N 0 0 217.312 3.598 20 0 BHADRN O=C(Oc1cccc(C2CC2)c1)C1CCCC1 ZINC000822174304 587157824 /nfs/dbraw/zinc/15/78/24/587157824.db2.gz CUUVZWZDLLIDGX-UHFFFAOYSA-N 0 0 230.307 3.660 20 0 BHADRN CC[C@H](C)C(=O)Oc1cccc(C2CC2)c1 ZINC000822174468 587157805 /nfs/dbraw/zinc/15/78/05/587157805.db2.gz JGGFSJSDIXNGDQ-JTQLQIEISA-N 0 0 218.296 3.516 20 0 BHADRN CC[C@@H](C)C(=O)Oc1cccc(C2CC2)c1 ZINC000822174469 587157883 /nfs/dbraw/zinc/15/78/83/587157883.db2.gz JGGFSJSDIXNGDQ-SNVBAGLBSA-N 0 0 218.296 3.516 20 0 BHADRN O=C(Oc1cccc(C2CC2)c1)[C@@H]1CC=CCC1 ZINC000822174522 587157806 /nfs/dbraw/zinc/15/78/06/587157806.db2.gz LGBHBKRRSXGDCX-CYBMUJFWSA-N 0 0 242.318 3.826 20 0 BHADRN O=C(Oc1cccc(C2CC2)c1)[C@H]1CC=CCC1 ZINC000822174523 587157912 /nfs/dbraw/zinc/15/79/12/587157912.db2.gz LGBHBKRRSXGDCX-ZDUSSCGKSA-N 0 0 242.318 3.826 20 0 BHADRN CC(C)CC(=O)Oc1cccc(C2CC2)c1 ZINC000822174532 587157755 /nfs/dbraw/zinc/15/77/55/587157755.db2.gz LSQCGXFQFMWARW-UHFFFAOYSA-N 0 0 218.296 3.516 20 0 BHADRN CC(C)(C)C(=O)Oc1cccc(C2CC2)c1 ZINC000822174591 587157815 /nfs/dbraw/zinc/15/78/15/587157815.db2.gz NXPITWSVAXSCCU-UHFFFAOYSA-N 0 0 218.296 3.516 20 0 BHADRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NC1CCCCCCC1 ZINC000822175677 587157804 /nfs/dbraw/zinc/15/78/04/587157804.db2.gz GYNHWPBCMHDBLA-IPYPFGDCSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NC1CCCCCCC1 ZINC000822175679 587157631 /nfs/dbraw/zinc/15/76/31/587157631.db2.gz GYNHWPBCMHDBLA-KCQAQPDRSA-N 0 0 249.398 3.652 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccc(CC)cc1 ZINC000822176282 587157907 /nfs/dbraw/zinc/15/79/07/587157907.db2.gz NQTADCXOTGBVTC-KHPPLWFESA-N 0 0 217.312 3.544 20 0 BHADRN CC/C(C)=C\C(=O)Nc1cccc(CC)c1 ZINC000822182279 587158189 /nfs/dbraw/zinc/15/81/89/587158189.db2.gz IULLAQZWTJGVPG-LUAWRHEFSA-N 0 0 217.312 3.544 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cccc(CC)c1 ZINC000822182280 587158063 /nfs/dbraw/zinc/15/80/63/587158063.db2.gz IULLAQZWTJGVPG-PKNBQFBNSA-N 0 0 217.312 3.544 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000822182594 587158142 /nfs/dbraw/zinc/15/81/42/587158142.db2.gz HXNBIHNOGJQDEF-XDQVBPFNSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000822182597 587158071 /nfs/dbraw/zinc/15/80/71/587158071.db2.gz HXNBIHNOGJQDEF-ZOBORPQBSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000822182833 587158266 /nfs/dbraw/zinc/15/82/66/587158266.db2.gz JMASQPLPSIDPFG-FQUUOJAGSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000822182836 587158198 /nfs/dbraw/zinc/15/81/98/587158198.db2.gz JMASQPLPSIDPFG-SYQHCUMBSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000822182838 587158156 /nfs/dbraw/zinc/15/81/56/587158156.db2.gz JMASQPLPSIDPFG-XDQVBPFNSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000822182839 587158027 /nfs/dbraw/zinc/15/80/27/587158027.db2.gz JMASQPLPSIDPFG-YIYPIFLZSA-N 0 0 249.398 3.602 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)C[C@@H]1CC=CCC1 ZINC000822191483 587158571 /nfs/dbraw/zinc/15/85/71/587158571.db2.gz YDBZLDBWGRNPKI-CHWSQXEVSA-N 0 0 235.371 3.522 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)C[C@H]1CC=CCC1 ZINC000822191485 587158364 /nfs/dbraw/zinc/15/83/64/587158364.db2.gz YDBZLDBWGRNPKI-OLZOCXBDSA-N 0 0 235.371 3.522 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)C[C@@H]1CC=CCC1 ZINC000822191487 587158412 /nfs/dbraw/zinc/15/84/12/587158412.db2.gz YDBZLDBWGRNPKI-QWHCGFSZSA-N 0 0 235.371 3.522 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)C[C@H]1CC=CCC1 ZINC000822191489 587158551 /nfs/dbraw/zinc/15/85/51/587158551.db2.gz YDBZLDBWGRNPKI-STQMWFEESA-N 0 0 235.371 3.522 20 0 BHADRN CC/C(C)=C\C(=O)Nc1cc(Cl)ccc1C ZINC000822192139 587158521 /nfs/dbraw/zinc/15/85/21/587158521.db2.gz AJJOFDIPDKPBOG-CLFYSBASSA-N 0 0 237.730 3.943 20 0 BHADRN CC/C(C)=C/C(=O)N(C)Cc1ccc(CC)cc1 ZINC000822206514 587158701 /nfs/dbraw/zinc/15/87/01/587158701.db2.gz LYAICWFELJXYIA-ACCUITESSA-N 0 0 245.366 3.564 20 0 BHADRN CC/C(C)=C\C(=O)N(C)Cc1ccc(CC)cc1 ZINC000822206515 587158534 /nfs/dbraw/zinc/15/85/34/587158534.db2.gz LYAICWFELJXYIA-QBFSEMIESA-N 0 0 245.366 3.564 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](CC)c1ccc(C)cc1 ZINC000822218337 587158573 /nfs/dbraw/zinc/15/85/73/587158573.db2.gz GHYIHKHZXWYJPV-AYJWMTRPSA-N 0 0 245.366 3.919 20 0 BHADRN CC/C(C)=C\C(=O)N[C@H](CC)c1ccc(C)cc1 ZINC000822218338 587158603 /nfs/dbraw/zinc/15/86/03/587158603.db2.gz GHYIHKHZXWYJPV-QYMJWVLRSA-N 0 0 245.366 3.919 20 0 BHADRN CC/C(C)=C/C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000822218339 587158515 /nfs/dbraw/zinc/15/85/15/587158515.db2.gz GHYIHKHZXWYJPV-RUMSDORHSA-N 0 0 245.366 3.919 20 0 BHADRN CC/C(C)=C\C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000822218340 587158516 /nfs/dbraw/zinc/15/85/16/587158516.db2.gz GHYIHKHZXWYJPV-SSCKCOOKSA-N 0 0 245.366 3.919 20 0 BHADRN CC[C@H](CC(F)(F)F)C(=O)Oc1ccccc1 ZINC000822243657 587159618 /nfs/dbraw/zinc/15/96/18/587159618.db2.gz BRIPRAVYBZOCNG-SECBINFHSA-N 0 0 246.228 3.571 20 0 BHADRN CC[C@@H](CC(F)(F)F)C(=O)Oc1ccccc1 ZINC000822243676 587159404 /nfs/dbraw/zinc/15/94/04/587159404.db2.gz BRIPRAVYBZOCNG-VIFPVBQESA-N 0 0 246.228 3.571 20 0 BHADRN Cc1ccc(OC(=O)C(C)(C)C(C)(F)F)cc1 ZINC000822245002 587159602 /nfs/dbraw/zinc/15/96/02/587159602.db2.gz NZQXKJPLQDRIMW-UHFFFAOYSA-N 0 0 242.265 3.582 20 0 BHADRN CC/C(C)=C/C(=O)NC[C@H](CC)c1ccccc1 ZINC000822260145 587159887 /nfs/dbraw/zinc/15/98/87/587159887.db2.gz BIJKXVVSZJBLIT-CMPYXILNSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C(C)=C\C(=O)NC[C@H](CC)c1ccccc1 ZINC000822260146 587159920 /nfs/dbraw/zinc/15/99/20/587159920.db2.gz BIJKXVVSZJBLIT-FZDNWWAKSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C(C)=C\C(=O)NC[C@@H](CC)c1ccccc1 ZINC000822260147 587160047 /nfs/dbraw/zinc/16/00/47/587160047.db2.gz BIJKXVVSZJBLIT-YBEMTRGBSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C(C)=C/C(=O)NC[C@@H](CC)c1ccccc1 ZINC000822260148 587159855 /nfs/dbraw/zinc/15/98/55/587159855.db2.gz BIJKXVVSZJBLIT-YPDDLIOESA-N 0 0 245.366 3.653 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccc(Cl)cc1C ZINC000822261891 587159916 /nfs/dbraw/zinc/15/99/16/587159916.db2.gz RKCUMFJEMOAIIS-CLFYSBASSA-N 0 0 237.730 3.943 20 0 BHADRN CC(C)(CNC(=O)C1(C)CC=CC1)C1=CCCC1 ZINC000822263910 587160021 /nfs/dbraw/zinc/16/00/21/587160021.db2.gz UBKXCXNRUUZRKW-UHFFFAOYSA-N 0 0 247.382 3.595 20 0 BHADRN C[C@]1(C(=O)N2CCCCCCC2)CC=CCC1 ZINC000822307694 712043304 /nfs/dbraw/zinc/04/33/04/712043304.db2.gz BANXUWIAPYYIGF-HNNXBMFYSA-N 0 0 235.371 3.526 20 0 BHADRN C[C@@]1(C(=O)N2CCCCCCC2)CC=CCC1 ZINC000822307695 712042973 /nfs/dbraw/zinc/04/29/73/712042973.db2.gz BANXUWIAPYYIGF-OAHLLOKOSA-N 0 0 235.371 3.526 20 0 BHADRN CC[C@H]1CCC[C@@H]1C(=O)N1CCCCCCC1 ZINC000822307799 587161183 /nfs/dbraw/zinc/16/11/83/587161183.db2.gz CRLLVEJNCFBUQA-KBPBESRZSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N1CCCCCCC1 ZINC000822307804 587161589 /nfs/dbraw/zinc/16/15/89/587161589.db2.gz CRLLVEJNCFBUQA-KGLIPLIRSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@H]1CCC[C@H]1C(=O)N1CCCCCCC1 ZINC000822307805 587161235 /nfs/dbraw/zinc/16/12/35/587161235.db2.gz CRLLVEJNCFBUQA-UONOGXRCSA-N 0 0 237.387 3.605 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N1CCCCCCC1 ZINC000822307807 587161470 /nfs/dbraw/zinc/16/14/70/587161470.db2.gz CRLLVEJNCFBUQA-ZIAGYGMSSA-N 0 0 237.387 3.605 20 0 BHADRN CC(C)(C(=O)N1CCCCCCC1)C1CCC1 ZINC000822308703 587161368 /nfs/dbraw/zinc/16/13/68/587161368.db2.gz WBONNNUCFGWGMK-UHFFFAOYSA-N 0 0 237.387 3.605 20 0 BHADRN CC(C)CCCC(=O)N1CCCCCCC1 ZINC000822308805 587161248 /nfs/dbraw/zinc/16/12/48/587161248.db2.gz XIGIPIFJHCCQJE-UHFFFAOYSA-N 0 0 225.376 3.605 20 0 BHADRN C[C@H]1CCC[C@@]1(C)C(=O)N1CCCCCCC1 ZINC000822308816 587161445 /nfs/dbraw/zinc/16/14/45/587161445.db2.gz XPBSPHHMERYPRZ-DZGCQCFKSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@@H]1CCC[C@]1(C)C(=O)N1CCCCCCC1 ZINC000822308819 587161184 /nfs/dbraw/zinc/16/11/84/587161184.db2.gz XPBSPHHMERYPRZ-HIFRSBDPSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@@H]1CCC[C@@]1(C)C(=O)N1CCCCCCC1 ZINC000822308822 587161180 /nfs/dbraw/zinc/16/11/80/587161180.db2.gz XPBSPHHMERYPRZ-UKRRQHHQSA-N 0 0 237.387 3.605 20 0 BHADRN C[C@H]1CCC[C@]1(C)C(=O)N1CCCCCCC1 ZINC000822308823 587161265 /nfs/dbraw/zinc/16/12/65/587161265.db2.gz XPBSPHHMERYPRZ-ZFWWWQNUSA-N 0 0 237.387 3.605 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](c1ccccc1)C(C)C ZINC000822312875 587161940 /nfs/dbraw/zinc/16/19/40/587161940.db2.gz HKYPJHMKTOMRFZ-BYIUCRAPSA-N 0 0 245.366 3.856 20 0 BHADRN CC/C(C)=C\C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000822312876 587161739 /nfs/dbraw/zinc/16/17/39/587161739.db2.gz HKYPJHMKTOMRFZ-DVFVSVACSA-N 0 0 245.366 3.856 20 0 BHADRN CC/C(C)=C\C(=O)N[C@H](c1ccccc1)C(C)C ZINC000822312878 587161822 /nfs/dbraw/zinc/16/18/22/587161822.db2.gz HKYPJHMKTOMRFZ-KVNDZABWSA-N 0 0 245.366 3.856 20 0 BHADRN CC/C(C)=C/C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000822312881 587161824 /nfs/dbraw/zinc/16/18/24/587161824.db2.gz HKYPJHMKTOMRFZ-SICOMBFOSA-N 0 0 245.366 3.856 20 0 BHADRN CCCCC(=O)OCc1cc2cc(F)ccc2[nH]1 ZINC000822326919 587162595 /nfs/dbraw/zinc/16/25/95/587162595.db2.gz XJLMPMUVIHFVAS-UHFFFAOYSA-N 0 0 249.285 3.540 20 0 BHADRN CCCN(Cc1ccccc1)C(=O)/C=C(/C)CC ZINC000822328356 587162519 /nfs/dbraw/zinc/16/25/19/587162519.db2.gz VBQDAXUWIQOVOY-OWBHPGMISA-N 0 0 245.366 3.782 20 0 BHADRN CCCN(Cc1ccccc1)C(=O)/C=C(\C)CC ZINC000822328357 587162526 /nfs/dbraw/zinc/16/25/26/587162526.db2.gz VBQDAXUWIQOVOY-WYMLVPIESA-N 0 0 245.366 3.782 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccccc1CC ZINC000822336125 587163158 /nfs/dbraw/zinc/16/31/58/587163158.db2.gz MAJZSCRQJJMWNF-KHPPLWFESA-N 0 0 217.312 3.544 20 0 BHADRN CC/C(C)=C/C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000822336747 587163260 /nfs/dbraw/zinc/16/32/60/587163260.db2.gz OZBMEINFHVZETK-ATWMFIQVSA-N 0 0 249.379 3.672 20 0 BHADRN CC/C(C)=C\C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000822336748 587162935 /nfs/dbraw/zinc/16/29/35/587162935.db2.gz OZBMEINFHVZETK-CFYYFVFUSA-N 0 0 249.379 3.672 20 0 BHADRN CC/C(C)=C\C(=O)N[C@H](c1cccs1)C1CC1 ZINC000822336749 587162955 /nfs/dbraw/zinc/16/29/55/587162955.db2.gz OZBMEINFHVZETK-CMUBDUJZSA-N 0 0 249.379 3.672 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](c1cccs1)C1CC1 ZINC000822336750 587162997 /nfs/dbraw/zinc/16/29/97/587162997.db2.gz OZBMEINFHVZETK-HBWSCVEGSA-N 0 0 249.379 3.672 20 0 BHADRN CCCCCCNC(=O)C(C)(C)C1CCC1 ZINC000822346071 587163381 /nfs/dbraw/zinc/16/33/81/587163381.db2.gz CFYQONOKWLSRRD-UHFFFAOYSA-N 0 0 225.376 3.509 20 0 BHADRN CCC[C@H](C)NC(=O)c1c(C)cccc1Cl ZINC000822346633 587163424 /nfs/dbraw/zinc/16/34/24/587163424.db2.gz KJQKOSNBHCEYMV-JTQLQIEISA-N 0 0 239.746 3.567 20 0 BHADRN CCC[C@@H](C)NC(=O)c1c(C)cccc1Cl ZINC000822346634 587164010 /nfs/dbraw/zinc/16/40/10/587164010.db2.gz KJQKOSNBHCEYMV-SNVBAGLBSA-N 0 0 239.746 3.567 20 0 BHADRN CCCCCCNC(=O)[C@H]1CCCCC1(F)F ZINC000822346951 587163806 /nfs/dbraw/zinc/16/38/06/587163806.db2.gz RXQYRGOCWMWGDG-LLVKDONJSA-N 0 0 247.329 3.508 20 0 BHADRN CCCCCCNC(=O)[C@@H]1CCCCC1(F)F ZINC000822346952 587163685 /nfs/dbraw/zinc/16/36/85/587163685.db2.gz RXQYRGOCWMWGDG-NSHDSACASA-N 0 0 247.329 3.508 20 0 BHADRN CC(C)CCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000822362819 587164471 /nfs/dbraw/zinc/16/44/71/587164471.db2.gz HHYMFPLBUCCZSQ-UHFFFAOYSA-N 0 0 248.370 3.517 20 0 BHADRN CCN(C(=O)c1ccc(CF)cc1)C1CCCC1 ZINC000822367024 587164247 /nfs/dbraw/zinc/16/42/47/587164247.db2.gz HRSXWSNYFNVYQS-UHFFFAOYSA-N 0 0 249.329 3.561 20 0 BHADRN CC/C(C)=C\C(=O)NC(C)(C)CC(C)(C)C ZINC000822368182 587164312 /nfs/dbraw/zinc/16/43/12/587164312.db2.gz TXZHQJBHOKAKOD-LUAWRHEFSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C\C(=O)N(Cc1ccccc1)C(C)C ZINC000822371808 587164750 /nfs/dbraw/zinc/16/47/50/587164750.db2.gz KETVWBOXLTVEAW-KAMYIIQDSA-N 0 0 245.366 3.780 20 0 BHADRN CC/C(C)=C\C(=O)N(C)C1CCCCCC1 ZINC000822372031 587164655 /nfs/dbraw/zinc/16/46/55/587164655.db2.gz PZCJLESQTLVPGM-QXMHVHEDSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C/C(=O)N(C)C1CCCCCC1 ZINC000822372033 587164868 /nfs/dbraw/zinc/16/48/68/587164868.db2.gz PZCJLESQTLVPGM-VAWYXSNFSA-N 0 0 223.360 3.524 20 0 BHADRN CCC[C@@H](CC)C(=O)Nc1ccc(O)cc1CC ZINC000822378182 587164673 /nfs/dbraw/zinc/16/46/73/587164673.db2.gz CLUXLAUKVSVXIZ-LLVKDONJSA-N 0 0 249.354 3.719 20 0 BHADRN CCC[C@H](CC)C(=O)Nc1ccc(O)cc1CC ZINC000822378183 587165027 /nfs/dbraw/zinc/16/50/27/587165027.db2.gz CLUXLAUKVSVXIZ-NSHDSACASA-N 0 0 249.354 3.719 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000822393753 587165743 /nfs/dbraw/zinc/16/57/43/587165743.db2.gz BQBYXSVMXIDASB-CRWXNKLISA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000822393757 587165639 /nfs/dbraw/zinc/16/56/39/587165639.db2.gz BQBYXSVMXIDASB-XDQVBPFNSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)c1ccsc1C ZINC000822394043 587165714 /nfs/dbraw/zinc/16/57/14/587165714.db2.gz IMZYEMAGAKUNJM-JTQLQIEISA-N 0 0 239.384 3.755 20 0 BHADRN CCCCC[C@@H](C)NC(=O)c1ccsc1C ZINC000822394044 587165872 /nfs/dbraw/zinc/16/58/72/587165872.db2.gz IMZYEMAGAKUNJM-SNVBAGLBSA-N 0 0 239.384 3.755 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@]1(C)CC=CCC1 ZINC000822394283 587165873 /nfs/dbraw/zinc/16/58/73/587165873.db2.gz MLSCFYPBQOEQMB-DZGCQCFKSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@]1(C)CC=CCC1 ZINC000822394284 587165601 /nfs/dbraw/zinc/16/56/01/587165601.db2.gz MLSCFYPBQOEQMB-HIFRSBDPSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@]1(C)CC=CCC1 ZINC000822394285 587165542 /nfs/dbraw/zinc/16/55/42/587165542.db2.gz MLSCFYPBQOEQMB-UKRRQHHQSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@]1(C)CC=CCC1 ZINC000822394286 587165702 /nfs/dbraw/zinc/16/57/02/587165702.db2.gz MLSCFYPBQOEQMB-ZFWWWQNUSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@H](C)NC(=O)C(C)(C)C(C)(F)F ZINC000822394781 587165558 /nfs/dbraw/zinc/16/55/58/587165558.db2.gz XPFILIIIRSTBMP-JTQLQIEISA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C(C)(C)C(C)(F)F ZINC000822394783 587165876 /nfs/dbraw/zinc/16/58/76/587165876.db2.gz XPFILIIIRSTBMP-SNVBAGLBSA-N 0 0 249.345 3.753 20 0 BHADRN CC/C(C)=C/C(=O)NC1(c2ccccc2)CCC1 ZINC000822411304 587166864 /nfs/dbraw/zinc/16/68/64/587166864.db2.gz ICWJKAPMECAXIC-OUKQBFOZSA-N 0 0 243.350 3.538 20 0 BHADRN CC/C(C)=C\C(=O)NC1(c2ccccc2)CCC1 ZINC000822411305 587166856 /nfs/dbraw/zinc/16/68/56/587166856.db2.gz ICWJKAPMECAXIC-SEYXRHQNSA-N 0 0 243.350 3.538 20 0 BHADRN CC/C(C)=C\C(=O)N(CC)C1CCCCC1 ZINC000822412491 587167007 /nfs/dbraw/zinc/16/70/07/587167007.db2.gz XARPURMSHSTHHV-QXMHVHEDSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C/C(=O)N(CC)C1CCCCC1 ZINC000822412493 587166816 /nfs/dbraw/zinc/16/68/16/587166816.db2.gz XARPURMSHSTHHV-VAWYXSNFSA-N 0 0 223.360 3.524 20 0 BHADRN CC/C(C)=C/C(=O)N(CC)Cc1ccccc1C ZINC000822423690 587167437 /nfs/dbraw/zinc/16/74/37/587167437.db2.gz NJKXXPGPJNVNKX-ACCUITESSA-N 0 0 245.366 3.700 20 0 BHADRN CC/C(C)=C\C(=O)N(CC)Cc1ccccc1C ZINC000822423691 587167275 /nfs/dbraw/zinc/16/72/75/587167275.db2.gz NJKXXPGPJNVNKX-QBFSEMIESA-N 0 0 245.366 3.700 20 0 BHADRN CC/C(C)=C/C(=O)N(CC)Cc1ccc(C)cc1 ZINC000822424091 587167175 /nfs/dbraw/zinc/16/71/75/587167175.db2.gz RMBHCFRZDUJKEW-ACCUITESSA-N 0 0 245.366 3.700 20 0 BHADRN CC/C(C)=C\C(=O)N(CC)Cc1ccc(C)cc1 ZINC000822424092 587167158 /nfs/dbraw/zinc/16/71/58/587167158.db2.gz RMBHCFRZDUJKEW-QBFSEMIESA-N 0 0 245.366 3.700 20 0 BHADRN CCC[C@@H](CC)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000822438957 587167941 /nfs/dbraw/zinc/16/79/41/587167941.db2.gz ASSSCRMBUWYMTI-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](CC)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000822438958 587168279 /nfs/dbraw/zinc/16/82/79/587168279.db2.gz ASSSCRMBUWYMTI-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](CC)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000822438959 587168021 /nfs/dbraw/zinc/16/80/21/587168021.db2.gz ASSSCRMBUWYMTI-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](CC)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000822438960 587168147 /nfs/dbraw/zinc/16/81/47/587168147.db2.gz ASSSCRMBUWYMTI-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000822458734 587169386 /nfs/dbraw/zinc/16/93/86/587169386.db2.gz XVBKPWARXUWARI-JXMROGBWSA-N 0 0 242.322 3.771 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000822458735 587169163 /nfs/dbraw/zinc/16/91/63/587169163.db2.gz XVBKPWARXUWARI-YFHOEESVSA-N 0 0 242.322 3.771 20 0 BHADRN O=C(C[C@@H]1CC=CCC1)NC1(C2CCC2)CCC1 ZINC000822464499 587169885 /nfs/dbraw/zinc/16/98/85/587169885.db2.gz WIXLDTFCUUNAIO-CYBMUJFWSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(C[C@H]1CC=CCC1)NC1(C2CCC2)CCC1 ZINC000822464502 587169820 /nfs/dbraw/zinc/16/98/20/587169820.db2.gz WIXLDTFCUUNAIO-ZDUSSCGKSA-N 0 0 247.382 3.572 20 0 BHADRN CCC[C@@H](CC)C(=O)Nc1c(C)cccc1OC ZINC000822467222 587169670 /nfs/dbraw/zinc/16/96/70/587169670.db2.gz LXHWBJWORHPYSH-GFCCVEGCSA-N 0 0 249.354 3.768 20 0 BHADRN CCC[C@H](CC)C(=O)Nc1c(C)cccc1OC ZINC000822467223 587169571 /nfs/dbraw/zinc/16/95/71/587169571.db2.gz LXHWBJWORHPYSH-LBPRGKRZSA-N 0 0 249.354 3.768 20 0 BHADRN COc1cccc(C)c1NC(=O)CC(C)=C(C)C ZINC000822467800 587170087 /nfs/dbraw/zinc/17/00/87/587170087.db2.gz UITPVSYLRLZKHP-UHFFFAOYSA-N 0 0 247.338 3.689 20 0 BHADRN CCCc1ccccc1NC(=O)/C=C(/C)CC ZINC000822469743 587170181 /nfs/dbraw/zinc/17/01/81/587170181.db2.gz OZEUMWKLYJGVLE-QXMHVHEDSA-N 0 0 231.339 3.934 20 0 BHADRN CCCc1ccccc1NC(=O)/C=C(\C)CC ZINC000822469744 587170251 /nfs/dbraw/zinc/17/02/51/587170251.db2.gz OZEUMWKLYJGVLE-VAWYXSNFSA-N 0 0 231.339 3.934 20 0 BHADRN COCc1ccc(NC(=O)CC(C)=C(C)C)cc1 ZINC000822472815 587170065 /nfs/dbraw/zinc/17/00/65/587170065.db2.gz NGHFHSSUAHQZKY-UHFFFAOYSA-N 0 0 247.338 3.518 20 0 BHADRN CCC[C@@H](CC)C(=O)Nc1ccc(COC)cc1 ZINC000822473360 587170415 /nfs/dbraw/zinc/17/04/15/587170415.db2.gz WSMBDUMHNFRDOR-CYBMUJFWSA-N 0 0 249.354 3.598 20 0 BHADRN CCC[C@H](CC)C(=O)Nc1ccc(COC)cc1 ZINC000822473362 587170412 /nfs/dbraw/zinc/17/04/12/587170412.db2.gz WSMBDUMHNFRDOR-ZDUSSCGKSA-N 0 0 249.354 3.598 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccc(OC(C)C)cc1 ZINC000822556896 587175038 /nfs/dbraw/zinc/17/50/38/587175038.db2.gz RIBQPAFFTFROBV-BENRWUELSA-N 0 0 247.338 3.769 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc(OC(C)C)cc1 ZINC000822556897 587174940 /nfs/dbraw/zinc/17/49/40/587174940.db2.gz RIBQPAFFTFROBV-ZRDIBKRKSA-N 0 0 247.338 3.769 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)N(CC)c1ccc(C)cc1C ZINC000822659758 587179594 /nfs/dbraw/zinc/17/95/94/587179594.db2.gz FUSVZYSZPZNJOF-ZIAGYGMSSA-N 0 0 245.366 3.702 20 0 BHADRN CC/C(C)=C/C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000822678166 587180255 /nfs/dbraw/zinc/18/02/55/587180255.db2.gz WDOASYROXYVSSQ-GCZGRYASSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C/C(=O)N1CCC[C@H]1C1CCCC1 ZINC000822678167 587180422 /nfs/dbraw/zinc/18/04/22/587180422.db2.gz WDOASYROXYVSSQ-GETOMWPZSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C\C(=O)N1CCC[C@H]1C1CCCC1 ZINC000822678168 587180445 /nfs/dbraw/zinc/18/04/45/587180445.db2.gz WDOASYROXYVSSQ-NYHXXUGCSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C\C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000822678169 587180172 /nfs/dbraw/zinc/18/01/72/587180172.db2.gz WDOASYROXYVSSQ-XMXAVACDSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C/C(=O)Nc1nc(C(C)C)cs1 ZINC000822701870 587181759 /nfs/dbraw/zinc/18/17/59/587181759.db2.gz IHGKVKQTZRPEKX-RMKNXTFCSA-N 0 0 238.356 3.561 20 0 BHADRN CC/C(C)=C\C(=O)Nc1nc(C(C)C)cs1 ZINC000822701871 587181867 /nfs/dbraw/zinc/18/18/67/587181867.db2.gz IHGKVKQTZRPEKX-TWGQIWQCSA-N 0 0 238.356 3.561 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](C)c1ccc(C)s1 ZINC000822716006 587182526 /nfs/dbraw/zinc/18/25/26/587182526.db2.gz IEMIVHPGSWGCLN-ANYFNZRUSA-N 0 0 237.368 3.590 20 0 BHADRN CC/C(C)=C/C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000822716007 587182876 /nfs/dbraw/zinc/18/28/76/587182876.db2.gz IEMIVHPGSWGCLN-FBOQAHMBSA-N 0 0 237.368 3.590 20 0 BHADRN CC/C(C)=C\C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000822716009 587182474 /nfs/dbraw/zinc/18/24/74/587182474.db2.gz IEMIVHPGSWGCLN-IQQGHNRFSA-N 0 0 237.368 3.590 20 0 BHADRN CC/C(C)=C\C(=O)N[C@H](C)c1ccc(C)s1 ZINC000822716011 587182728 /nfs/dbraw/zinc/18/27/28/587182728.db2.gz IEMIVHPGSWGCLN-TYBABMIJSA-N 0 0 237.368 3.590 20 0 BHADRN CC/C(C)=C\C(=O)N(C1CC1)C1CCCCC1 ZINC000822721370 587182663 /nfs/dbraw/zinc/18/26/63/587182663.db2.gz VMKODUFJYCMTPL-QXMHVHEDSA-N 0 0 235.371 3.666 20 0 BHADRN CC/C(C)=C/C(=O)N(C1CC1)C1CCCCC1 ZINC000822721373 587182863 /nfs/dbraw/zinc/18/28/63/587182863.db2.gz VMKODUFJYCMTPL-VAWYXSNFSA-N 0 0 235.371 3.666 20 0 BHADRN CCCCC1(C(=O)N2CC(C)(C)C[C@H]2C)CC1 ZINC000822738829 587183819 /nfs/dbraw/zinc/18/38/19/587183819.db2.gz ZIRAPTJGSXKDQE-GFCCVEGCSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC1(C(=O)N2CC(C)(C)C[C@@H]2C)CC1 ZINC000822738830 587183585 /nfs/dbraw/zinc/18/35/85/587183585.db2.gz ZIRAPTJGSXKDQE-LBPRGKRZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](CC)C(=O)N[C@H](C)c1ccsc1 ZINC000822745279 587183751 /nfs/dbraw/zinc/18/37/51/587183751.db2.gz HYHCDMHQPSDWBV-GHMZBOCLSA-N 0 0 239.384 3.752 20 0 BHADRN CCC[C@H](CC)C(=O)N[C@H](C)c1ccsc1 ZINC000822745280 587183702 /nfs/dbraw/zinc/18/37/02/587183702.db2.gz HYHCDMHQPSDWBV-MNOVXSKESA-N 0 0 239.384 3.752 20 0 BHADRN CCC[C@H](CC)C(=O)N[C@@H](C)c1ccsc1 ZINC000822745281 587183581 /nfs/dbraw/zinc/18/35/81/587183581.db2.gz HYHCDMHQPSDWBV-QWRGUYRKSA-N 0 0 239.384 3.752 20 0 BHADRN CCC[C@@H](CC)C(=O)N[C@@H](C)c1ccsc1 ZINC000822745282 587183839 /nfs/dbraw/zinc/18/38/39/587183839.db2.gz HYHCDMHQPSDWBV-WDEREUQCSA-N 0 0 239.384 3.752 20 0 BHADRN CCN(Cc1occc1C)C(=O)CCC1(C)CC1 ZINC000822748533 587183733 /nfs/dbraw/zinc/18/37/33/587183733.db2.gz DAHFAHMLNUAAAD-UHFFFAOYSA-N 0 0 249.354 3.517 20 0 BHADRN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC000822765346 587184424 /nfs/dbraw/zinc/18/44/24/587184424.db2.gz VVXQCFWKCVSNSD-BRXULGCHSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC000822765347 587184477 /nfs/dbraw/zinc/18/44/77/587184477.db2.gz VVXQCFWKCVSNSD-LMOYCYGVSA-N 0 0 249.398 3.508 20 0 BHADRN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC000822765348 587184447 /nfs/dbraw/zinc/18/44/47/587184447.db2.gz VVXQCFWKCVSNSD-OQMKEHIESA-N 0 0 249.398 3.508 20 0 BHADRN CCC[C@H](C)c1noc(-c2cc(N)ccc2C)n1 ZINC000822770194 587185288 /nfs/dbraw/zinc/18/52/88/587185288.db2.gz AXZMXBAMVSUPTH-JTQLQIEISA-N 0 0 245.326 3.531 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cc(N)ccc2C)n1 ZINC000822770195 587184932 /nfs/dbraw/zinc/18/49/32/587184932.db2.gz AXZMXBAMVSUPTH-SNVBAGLBSA-N 0 0 245.326 3.531 20 0 BHADRN CCCCC1(C(=O)N2CC[C@H](C3CCC3)C2)CC1 ZINC000822872251 587190690 /nfs/dbraw/zinc/19/06/90/587190690.db2.gz TUJWNEZKSNAEHC-AWEZNQCLSA-N 0 0 249.398 3.605 20 0 BHADRN CCCCC1(C(=O)N2CC[C@@H](C3CCC3)C2)CC1 ZINC000822872253 587190696 /nfs/dbraw/zinc/19/06/96/587190696.db2.gz TUJWNEZKSNAEHC-CQSZACIVSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@@H](CC)C(=O)N1CCC2(CCC2)CC1 ZINC000822891541 587191632 /nfs/dbraw/zinc/19/16/32/587191632.db2.gz YQUBYMOQYKXTKO-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CCC[C@H](CC)C(=O)N1CCC2(CCC2)CC1 ZINC000822891543 587191686 /nfs/dbraw/zinc/19/16/86/587191686.db2.gz YQUBYMOQYKXTKO-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CCCC[C@](C)(F)C(=O)N1CCC(CC)CC1 ZINC000822893796 587192209 /nfs/dbraw/zinc/19/22/09/587192209.db2.gz JKWAAUWBJDVSLC-AWEZNQCLSA-N 0 0 243.366 3.553 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N1CCC(CC)CC1 ZINC000822893797 587192158 /nfs/dbraw/zinc/19/21/58/587192158.db2.gz JKWAAUWBJDVSLC-CQSZACIVSA-N 0 0 243.366 3.553 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)N(C)C1CCCCCCC1 ZINC000822904993 587192477 /nfs/dbraw/zinc/19/24/77/587192477.db2.gz ILTIHCSYICKXFD-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2CCC2(C)C)c(C)c1 ZINC000822906945 587192569 /nfs/dbraw/zinc/19/25/69/587192569.db2.gz SKJDTZIYAGQGME-CYBMUJFWSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2CCC2(C)C)c(C)c1 ZINC000822906946 587192633 /nfs/dbraw/zinc/19/26/33/587192633.db2.gz SKJDTZIYAGQGME-ZDUSSCGKSA-N 0 0 245.366 3.702 20 0 BHADRN O=C(NCC1CCCCCCC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000822913395 587192762 /nfs/dbraw/zinc/19/27/62/587192762.db2.gz BKQSVRDWQZSUKY-FICVDOATSA-N 0 0 249.398 3.509 20 0 BHADRN O=C(NCC1CCCCCCC1)C1CC2(CC2)C1 ZINC000822915483 587192472 /nfs/dbraw/zinc/19/24/72/587192472.db2.gz WVYZBWYZXZHJGW-UHFFFAOYSA-N 0 0 249.398 3.653 20 0 BHADRN CCN(C(=O)C1CC2(C1)CCCCC2)C(C)C ZINC000822920685 587193000 /nfs/dbraw/zinc/19/30/00/587193000.db2.gz ADUYITZHGPHKTF-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CCN(C(=O)c1cccc(C(C)C)c1)C(C)C ZINC000822922098 587193114 /nfs/dbraw/zinc/19/31/14/587193114.db2.gz SVHLMCZIZVIMHZ-UHFFFAOYSA-N 0 0 233.355 3.681 20 0 BHADRN CC/C(C)=C\C(=O)NCC[C@H](C)c1ccccc1 ZINC000822940595 587194827 /nfs/dbraw/zinc/19/48/27/587194827.db2.gz XGSNKRKTKLZTCL-DINCDJDBSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C(C)=C/C(=O)NCC[C@H](C)c1ccccc1 ZINC000822940596 587195101 /nfs/dbraw/zinc/19/51/01/587195101.db2.gz XGSNKRKTKLZTCL-FNDVETGQSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C(C)=C\C(=O)NCC[C@@H](C)c1ccccc1 ZINC000822940597 587194896 /nfs/dbraw/zinc/19/48/96/587194896.db2.gz XGSNKRKTKLZTCL-WUFNSSIPSA-N 0 0 245.366 3.653 20 0 BHADRN CC/C(C)=C/C(=O)NCC[C@@H](C)c1ccccc1 ZINC000822940598 587194966 /nfs/dbraw/zinc/19/49/66/587194966.db2.gz XGSNKRKTKLZTCL-XTZCOPOCSA-N 0 0 245.366 3.653 20 0 BHADRN CCCCCCC(=O)N(C)Cc1ccccc1C ZINC000822958079 587195220 /nfs/dbraw/zinc/19/52/20/587195220.db2.gz OHOWITQZRIXCEH-UHFFFAOYSA-N 0 0 247.382 3.924 20 0 BHADRN Cc1ccc(N(C)C(=O)C(C)(C)C2CCC2)cc1 ZINC000822969768 587195809 /nfs/dbraw/zinc/19/58/09/587195809.db2.gz AEXVUXMFONGTRH-UHFFFAOYSA-N 0 0 245.366 3.784 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@]2(C)CC=CCC2)cc1 ZINC000822970482 587196300 /nfs/dbraw/zinc/19/63/00/587196300.db2.gz PWKICIIBOLJQDA-INIZCTEOSA-N 0 0 243.350 3.704 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@]2(C)CC=CCC2)cc1 ZINC000822970483 587196400 /nfs/dbraw/zinc/19/64/00/587196400.db2.gz PWKICIIBOLJQDA-MRXNPFEDSA-N 0 0 243.350 3.704 20 0 BHADRN CC/C(C)=C\C(=O)N(C(CC)CC)C1CC1 ZINC000822984953 587196759 /nfs/dbraw/zinc/19/67/59/587196759.db2.gz QOPSRZSJVAFLBB-KHPPLWFESA-N 0 0 223.360 3.522 20 0 BHADRN CC/C(C)=C/C(=O)N(C(CC)CC)C1CC1 ZINC000822984955 587196766 /nfs/dbraw/zinc/19/67/66/587196766.db2.gz QOPSRZSJVAFLBB-ZHACJKMWSA-N 0 0 223.360 3.522 20 0 BHADRN CCC[C@H](CC)C(=O)NC1(C(F)F)CCCC1 ZINC000822988146 587196681 /nfs/dbraw/zinc/19/66/81/587196681.db2.gz XKCGQEFVDJKUKO-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@@H](CC)C(=O)NC1(C(F)F)CCCC1 ZINC000822988147 587196655 /nfs/dbraw/zinc/19/66/55/587196655.db2.gz XKCGQEFVDJKUKO-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCc1cccc(C)c1NC(=O)C(F)(F)CC ZINC000823012504 587198092 /nfs/dbraw/zinc/19/80/92/587198092.db2.gz LOESGEUAGCDFOR-UHFFFAOYSA-N 0 0 241.281 3.541 20 0 BHADRN CCC(F)(F)C(=O)Nc1c(C)cc(C)cc1C ZINC000823012693 587198180 /nfs/dbraw/zinc/19/81/80/587198180.db2.gz OBLKZVRVJQRBHO-UHFFFAOYSA-N 0 0 241.281 3.596 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000823015548 587198178 /nfs/dbraw/zinc/19/81/78/587198178.db2.gz HEWWKSBNQGFCHG-LMMOQWNQSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C\C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000823015549 587198047 /nfs/dbraw/zinc/19/80/47/587198047.db2.gz HEWWKSBNQGFCHG-MMRAYRKESA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C\C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000823015550 587198094 /nfs/dbraw/zinc/19/80/94/587198094.db2.gz HEWWKSBNQGFCHG-UCQJPZFISA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000823015551 587198349 /nfs/dbraw/zinc/19/83/49/587198349.db2.gz HEWWKSBNQGFCHG-ZKQHCESOSA-N 0 0 247.338 3.689 20 0 BHADRN CCC[C@H](CC)C(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000823023523 587198605 /nfs/dbraw/zinc/19/86/05/587198605.db2.gz FHLCJDPJUOYDGA-GXTWGEPZSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@H](CC)C(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000823023524 587198775 /nfs/dbraw/zinc/19/87/75/587198775.db2.gz FHLCJDPJUOYDGA-JSGCOSHPSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@H](CC)C(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000823023525 587198585 /nfs/dbraw/zinc/19/85/85/587198585.db2.gz FHLCJDPJUOYDGA-OCCSQVGLSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@H](CC)C(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000823023526 587198051 /nfs/dbraw/zinc/19/80/51/587198051.db2.gz FHLCJDPJUOYDGA-TZMCWYRMSA-N 0 0 249.398 3.604 20 0 BHADRN CC/C(C)=C/C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000823033778 587198424 /nfs/dbraw/zinc/19/84/24/587198424.db2.gz UUIYMKDTELOCBB-CMPYXILNSA-N 0 0 245.366 3.605 20 0 BHADRN CC/C(C)=C\C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000823033779 587199329 /nfs/dbraw/zinc/19/93/29/587199329.db2.gz UUIYMKDTELOCBB-FZDNWWAKSA-N 0 0 245.366 3.605 20 0 BHADRN CC/C(C)=C\C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000823033780 587199212 /nfs/dbraw/zinc/19/92/12/587199212.db2.gz UUIYMKDTELOCBB-YBEMTRGBSA-N 0 0 245.366 3.605 20 0 BHADRN CC/C(C)=C/C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000823033781 587199169 /nfs/dbraw/zinc/19/91/69/587199169.db2.gz UUIYMKDTELOCBB-YPDDLIOESA-N 0 0 245.366 3.605 20 0 BHADRN CCOc1cc(NC(=O)/C=C(/C)CC)ccc1C ZINC000823041015 587199191 /nfs/dbraw/zinc/19/91/91/587199191.db2.gz IGTFBEDWKGASRX-LUAWRHEFSA-N 0 0 247.338 3.689 20 0 BHADRN CCOc1cc(NC(=O)/C=C(\C)CC)ccc1C ZINC000823041016 587198958 /nfs/dbraw/zinc/19/89/58/587198958.db2.gz IGTFBEDWKGASRX-PKNBQFBNSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccc(CSC)cc1 ZINC000823041701 587198999 /nfs/dbraw/zinc/19/89/99/587198999.db2.gz TWHBJOHAEHLSJA-LUAWRHEFSA-N 0 0 249.379 3.844 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc(CSC)cc1 ZINC000823041702 587199133 /nfs/dbraw/zinc/19/91/33/587199133.db2.gz TWHBJOHAEHLSJA-PKNBQFBNSA-N 0 0 249.379 3.844 20 0 BHADRN CCCCCCC(=O)N(C)Cc1ccc(C)cc1 ZINC000823091954 587202061 /nfs/dbraw/zinc/20/20/61/587202061.db2.gz SOEURTSRTILVDT-UHFFFAOYSA-N 0 0 247.382 3.924 20 0 BHADRN CC/C(C)=C\C(=O)NC(C)(C)c1ccc(F)cc1 ZINC000823091980 587202114 /nfs/dbraw/zinc/20/21/14/587202114.db2.gz QUZIPFPRAJMZKZ-KHPPLWFESA-N 0 0 249.329 3.533 20 0 BHADRN CC/C(C)=C/C(=O)NC(C)(C)c1ccc(F)cc1 ZINC000823091981 587202314 /nfs/dbraw/zinc/20/23/14/587202314.db2.gz QUZIPFPRAJMZKZ-ZHACJKMWSA-N 0 0 249.329 3.533 20 0 BHADRN CC1(CCC(=O)N2CC[C@H](C3CCCC3)C2)CC1 ZINC000823095980 587202425 /nfs/dbraw/zinc/20/24/25/587202425.db2.gz BUUDGSXLNOKSBB-AWEZNQCLSA-N 0 0 249.398 3.605 20 0 BHADRN CC1(CCC(=O)N2CC[C@@H](C3CCCC3)C2)CC1 ZINC000823095981 587202290 /nfs/dbraw/zinc/20/22/90/587202290.db2.gz BUUDGSXLNOKSBB-CQSZACIVSA-N 0 0 249.398 3.605 20 0 BHADRN CC/C(C)=C\C(=O)N(C(C)C)C1CCCC1 ZINC000823096920 587202482 /nfs/dbraw/zinc/20/24/82/587202482.db2.gz MHCOGTZISCSNRT-BENRWUELSA-N 0 0 223.360 3.522 20 0 BHADRN CC/C(C)=C/C(=O)N(C(C)C)C1CCCC1 ZINC000823096922 587202317 /nfs/dbraw/zinc/20/23/17/587202317.db2.gz MHCOGTZISCSNRT-ZRDIBKRKSA-N 0 0 223.360 3.522 20 0 BHADRN CCC[C@@H](CC)C(=O)N(C1CCC1)C1CCC1 ZINC000823122647 587203950 /nfs/dbraw/zinc/20/39/50/587203950.db2.gz WCOKUXPNMNYADN-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN CCC[C@H](CC)C(=O)N(C1CCC1)C1CCC1 ZINC000823122650 587203880 /nfs/dbraw/zinc/20/38/80/587203880.db2.gz WCOKUXPNMNYADN-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN CC/C(C)=C\C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000823170711 587206729 /nfs/dbraw/zinc/20/67/29/587206729.db2.gz GNPSXQUWVNCSES-BMSUMIBZSA-N 0 0 245.366 3.837 20 0 BHADRN CC/C(C)=C\C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000823170715 587206463 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/nfs/dbraw/zinc/20/70/67/587207067.db2.gz CQQAHPAOTISPNC-DBTPVHCXSA-N 0 0 245.366 3.784 20 0 BHADRN C/C(=C/C(=O)NC1(C)CCCCC1)c1ccco1 ZINC000823194032 587207682 /nfs/dbraw/zinc/20/76/82/587207682.db2.gz HZGYLVOOHURUHA-QXMHVHEDSA-N 0 0 247.338 3.522 20 0 BHADRN C/C(=C\C(=O)NC1(C)CCCCC1)c1ccco1 ZINC000823194033 587207341 /nfs/dbraw/zinc/20/73/41/587207341.db2.gz HZGYLVOOHURUHA-VAWYXSNFSA-N 0 0 247.338 3.522 20 0 BHADRN CC1(NC(=O)c2ccc(CF)cc2)CCCCC1 ZINC000823194814 587207467 /nfs/dbraw/zinc/20/74/67/587207467.db2.gz VVMHOTQSWBFTHJ-UHFFFAOYSA-N 0 0 249.329 3.609 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cccc(CSC)c1 ZINC000823226405 585028113 /nfs/dbraw/zinc/02/81/13/585028113.db2.gz ABJRQTORKRTFHG-DHZHZOJOSA-N 0 0 249.379 3.844 20 0 BHADRN CC/C(C)=C\C(=O)Nc1cccc(CSC)c1 ZINC000823226413 585028022 /nfs/dbraw/zinc/02/80/22/585028022.db2.gz ABJRQTORKRTFHG-FLIBITNWSA-N 0 0 249.379 3.844 20 0 BHADRN CCCCC1(C(=O)N2CC[C@@H](C)C[C@H]2C)CC1 ZINC000823260957 587211709 /nfs/dbraw/zinc/21/17/09/587211709.db2.gz 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CC(C(=O)N1CCC2(CCCC2)CC1)=C1CCC1 ZINC000826128613 587351173 /nfs/dbraw/zinc/35/11/73/587351173.db2.gz PVLGUENLXRJSNH-UHFFFAOYSA-N 0 0 247.382 3.670 20 0 BHADRN CC(C(=O)N[C@H]1C[C@@H]1C1CCCCC1)=C1CCC1 ZINC000826527307 587354136 /nfs/dbraw/zinc/35/41/36/587354136.db2.gz GKXXGMXSKMJXJU-CABCVRRESA-N 0 0 247.382 3.572 20 0 BHADRN CC(C(=O)N[C@H]1C[C@H]1C1CCCCC1)=C1CCC1 ZINC000826527308 587354138 /nfs/dbraw/zinc/35/41/38/587354138.db2.gz GKXXGMXSKMJXJU-GJZGRUSLSA-N 0 0 247.382 3.572 20 0 BHADRN CC(C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)=C1CCC1 ZINC000826527309 587354029 /nfs/dbraw/zinc/35/40/29/587354029.db2.gz GKXXGMXSKMJXJU-HUUCEWRRSA-N 0 0 247.382 3.572 20 0 BHADRN CC(C(=O)N[C@@H]1C[C@H]1C1CCCCC1)=C1CCC1 ZINC000826527310 587354094 /nfs/dbraw/zinc/35/40/94/587354094.db2.gz GKXXGMXSKMJXJU-LSDHHAIUSA-N 0 0 247.382 3.572 20 0 BHADRN CC/C(C)=C/C(=O)N1CCC2(C1)CCCCC2 ZINC000826543286 587354629 /nfs/dbraw/zinc/35/46/29/587354629.db2.gz NLEPGTKRHZERRY-ACCUITESSA-N 0 0 235.371 3.526 20 0 BHADRN CC/C(C)=C\C(=O)N1CCC2(C1)CCCCC2 ZINC000826543287 587354591 /nfs/dbraw/zinc/35/45/91/587354591.db2.gz NLEPGTKRHZERRY-QBFSEMIESA-N 0 0 235.371 3.526 20 0 BHADRN CC(C(=O)N1CCC2(C1)CCCCC2)=C1CCC1 ZINC000826543699 587354657 /nfs/dbraw/zinc/35/46/57/587354657.db2.gz WADPAMDNSBZLKB-UHFFFAOYSA-N 0 0 247.382 3.670 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ncc(C(C)C)s1 ZINC000826552899 587354606 /nfs/dbraw/zinc/35/46/06/587354606.db2.gz CTZCCDLBMCXVCR-RMKNXTFCSA-N 0 0 238.356 3.561 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ncc(C(C)C)s1 ZINC000826552900 587354779 /nfs/dbraw/zinc/35/47/79/587354779.db2.gz CTZCCDLBMCXVCR-TWGQIWQCSA-N 0 0 238.356 3.561 20 0 BHADRN CC(C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)=C1CCC1 ZINC000826553154 587354621 /nfs/dbraw/zinc/35/46/21/587354621.db2.gz JZFZAUVMJQZDPP-QLFBSQMISA-N 0 0 247.382 3.572 20 0 BHADRN CC(C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)=C1CCC1 ZINC000826553155 587354769 /nfs/dbraw/zinc/35/47/69/587354769.db2.gz JZFZAUVMJQZDPP-RBSFLKMASA-N 0 0 247.382 3.572 20 0 BHADRN CC(C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)=C1CCC1 ZINC000826553156 587354748 /nfs/dbraw/zinc/35/47/48/587354748.db2.gz JZFZAUVMJQZDPP-RRFJBIMHSA-N 0 0 247.382 3.572 20 0 BHADRN CC(C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)=C1CCC1 ZINC000826553157 587354617 /nfs/dbraw/zinc/35/46/17/587354617.db2.gz JZFZAUVMJQZDPP-SOUVJXGZSA-N 0 0 247.382 3.572 20 0 BHADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC000826557556 587354913 /nfs/dbraw/zinc/35/49/13/587354913.db2.gz MQQKNMRJYMRFLR-NUDNTCICSA-N 0 0 247.382 3.522 20 0 BHADRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC000826557561 587354903 /nfs/dbraw/zinc/35/49/03/587354903.db2.gz MQQKNMRJYMRFLR-WIGRTHMWSA-N 0 0 247.382 3.522 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@H]1CCC[C@H]1C ZINC000826571162 587355340 /nfs/dbraw/zinc/35/53/40/587355340.db2.gz DQLQOUOFLKIASX-DOMZBBRYSA-N 0 0 245.366 3.728 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@@H]1CCC[C@H]1C ZINC000826571167 587355339 /nfs/dbraw/zinc/35/53/39/587355339.db2.gz DQLQOUOFLKIASX-IUODEOHRSA-N 0 0 245.366 3.728 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000826571168 587355371 /nfs/dbraw/zinc/35/53/71/587355371.db2.gz DQLQOUOFLKIASX-SWLSCSKDSA-N 0 0 245.366 3.728 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@H]1CCC[C@@H]1C ZINC000826571169 587355458 /nfs/dbraw/zinc/35/54/58/587355458.db2.gz DQLQOUOFLKIASX-WFASDCNBSA-N 0 0 245.366 3.728 20 0 BHADRN CC[C@@]1(C)CCCN(C(=O)C(C)=C2CCC2)C1 ZINC000826630055 587357270 /nfs/dbraw/zinc/35/72/70/587357270.db2.gz LHMHHXJXTCMIPR-HNNXBMFYSA-N 0 0 235.371 3.526 20 0 BHADRN CC[C@]1(C)CCCN(C(=O)C(C)=C2CCC2)C1 ZINC000826630056 587357314 /nfs/dbraw/zinc/35/73/14/587357314.db2.gz LHMHHXJXTCMIPR-OAHLLOKOSA-N 0 0 235.371 3.526 20 0 BHADRN C[C@]1(C(=O)N2CCC3(CCCC3)C2)CC=CCC1 ZINC000826634664 587357173 /nfs/dbraw/zinc/35/71/73/587357173.db2.gz FRHAZYOVAQOMNB-HNNXBMFYSA-N 0 0 247.382 3.526 20 0 BHADRN C[C@@]1(C(=O)N2CCC3(CCCC3)C2)CC=CCC1 ZINC000826634666 587357150 /nfs/dbraw/zinc/35/71/50/587357150.db2.gz FRHAZYOVAQOMNB-OAHLLOKOSA-N 0 0 247.382 3.526 20 0 BHADRN C[C@H]1CCC[C@@]1(C)C(=O)N1CCC2(CCCC2)C1 ZINC000826636172 587357282 /nfs/dbraw/zinc/35/72/82/587357282.db2.gz YJHHGZPAJNGUET-DZGCQCFKSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CCC[C@]1(C)C(=O)N1CCC2(CCCC2)C1 ZINC000826636173 587357166 /nfs/dbraw/zinc/35/71/66/587357166.db2.gz YJHHGZPAJNGUET-HIFRSBDPSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC2(CCCC2)C1 ZINC000826636174 587357177 /nfs/dbraw/zinc/35/71/77/587357177.db2.gz YJHHGZPAJNGUET-UKRRQHHQSA-N 0 0 249.398 3.605 20 0 BHADRN C[C@H]1CCC[C@]1(C)C(=O)N1CCC2(CCCC2)C1 ZINC000826636175 587357146 /nfs/dbraw/zinc/35/71/46/587357146.db2.gz YJHHGZPAJNGUET-ZFWWWQNUSA-N 0 0 249.398 3.605 20 0 BHADRN CC/C(C)=C\C(=O)Nc1c(C)cccc1C ZINC000826637649 587357447 /nfs/dbraw/zinc/35/74/47/587357447.db2.gz DJQZTCADPMXBRH-KTKRTIGZSA-N 0 0 217.312 3.598 20 0 BHADRN CC(C(=O)Nc1c(C)cccc1C)=C1CCC1 ZINC000826638264 587357529 /nfs/dbraw/zinc/35/75/29/587357529.db2.gz LGCOJOWRKLMGBZ-UHFFFAOYSA-N 0 0 229.323 3.742 20 0 BHADRN C[C@@H]1c2ccccc2CN1C(=O)CCC1(C)CC1 ZINC000826664812 587358372 /nfs/dbraw/zinc/35/83/72/587358372.db2.gz JGEUWQZDZIMCDE-GFCCVEGCSA-N 0 0 243.350 3.670 20 0 BHADRN CC(C(=O)Nc1cccc(F)c1C)=C1CCC1 ZINC000826728555 587360253 /nfs/dbraw/zinc/36/02/53/587360253.db2.gz RLYHYGKERLSDLA-UHFFFAOYSA-N 0 0 233.286 3.573 20 0 BHADRN CC(C(=O)N1Cc2ccccc2[C@H]1C)=C1CCC1 ZINC000826746650 587360885 /nfs/dbraw/zinc/36/08/85/587360885.db2.gz IBJYCXKHPMCKFQ-GFCCVEGCSA-N 0 0 241.334 3.590 20 0 BHADRN CC(C(=O)N1Cc2ccccc2[C@@H]1C)=C1CCC1 ZINC000826746651 587360933 /nfs/dbraw/zinc/36/09/33/587360933.db2.gz IBJYCXKHPMCKFQ-LBPRGKRZSA-N 0 0 241.334 3.590 20 0 BHADRN CC(=O)c1c(F)cccc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000826762329 587361367 /nfs/dbraw/zinc/36/13/67/587361367.db2.gz OGTZRXRKYUJIIF-NTZNESFSSA-N 0 0 247.313 3.629 20 0 BHADRN CC/C(C)=C\C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000826770846 587362006 /nfs/dbraw/zinc/36/20/06/587362006.db2.gz HIRXHDNZNYUWCT-BFPJXGRPSA-N 0 0 245.366 3.651 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000826770847 587361941 /nfs/dbraw/zinc/36/19/41/587361941.db2.gz HIRXHDNZNYUWCT-CYUAOAIUSA-N 0 0 245.366 3.651 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000826770848 587361896 /nfs/dbraw/zinc/36/18/96/587361896.db2.gz HIRXHDNZNYUWCT-MRUDHYOASA-N 0 0 245.366 3.651 20 0 BHADRN CC/C(C)=C\C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000826770849 587361856 /nfs/dbraw/zinc/36/18/56/587361856.db2.gz HIRXHDNZNYUWCT-QDLRVKAISA-N 0 0 245.366 3.651 20 0 BHADRN CC1(CCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000826777319 587362241 /nfs/dbraw/zinc/36/22/41/587362241.db2.gz VTTIURUCQXJOAB-KBPBESRZSA-N 0 0 249.398 3.748 20 0 BHADRN CC1=C(C)C[C@](C)(C(=O)N2CC3CC2(C)C3)CC1 ZINC000826783984 587362433 /nfs/dbraw/zinc/36/24/33/587362433.db2.gz SBDZIIVECLCFMF-OGVSOVDVSA-N 0 0 247.382 3.524 20 0 BHADRN CC1=C(C)C[C@@](C)(C(=O)N2CC3CC2(C)C3)CC1 ZINC000826783985 587362387 /nfs/dbraw/zinc/36/23/87/587362387.db2.gz SBDZIIVECLCFMF-SIWZUTFBSA-N 0 0 247.382 3.524 20 0 BHADRN Fc1cccc2oc(N[C@@H]3CC[C@H]4C[C@H]4C3)nc21 ZINC000826802658 587362913 /nfs/dbraw/zinc/36/29/13/587362913.db2.gz KIYWLHCSEKOWBR-LPEHRKFASA-N 0 0 246.285 3.567 20 0 BHADRN Fc1cccc2oc(N[C@@H]3CC[C@@H]4C[C@@H]4C3)nc21 ZINC000826802659 587362856 /nfs/dbraw/zinc/36/28/56/587362856.db2.gz KIYWLHCSEKOWBR-OPRDCNLKSA-N 0 0 246.285 3.567 20 0 BHADRN CC(=O)c1c(F)cccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000826803783 587362918 /nfs/dbraw/zinc/36/29/18/587362918.db2.gz WTHBXFJJWXSCES-IJLUTSLNSA-N 0 0 247.313 3.629 20 0 BHADRN CC(=O)c1c(F)cccc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000826803787 587362791 /nfs/dbraw/zinc/36/27/91/587362791.db2.gz WTHBXFJJWXSCES-SDDRHHMPSA-N 0 0 247.313 3.629 20 0 BHADRN C[C@H]1c2ccccc2CN1C(=O)CCC1(C)CC1 ZINC000826880413 712592728 /nfs/dbraw/zinc/59/27/28/712592728.db2.gz JGEUWQZDZIMCDE-LBPRGKRZSA-N 0 0 243.350 3.670 20 0 BHADRN Cc1ccccc1N(C)C(=O)C[C@H]1CC=CCC1 ZINC000826886092 645068490 /nfs/dbraw/zinc/06/84/90/645068490.db2.gz IQYPCCVHWBLQDG-AWEZNQCLSA-N 0 0 243.350 3.704 20 0 BHADRN Cc1ccccc1N(C)C(=O)C[C@@H]1CC=CCC1 ZINC000826886093 645069016 /nfs/dbraw/zinc/06/90/16/645069016.db2.gz IQYPCCVHWBLQDG-CQSZACIVSA-N 0 0 243.350 3.704 20 0 BHADRN Cc1ccccc1N(C)C(=O)CCC1(C)CC1 ZINC000826886451 645068651 /nfs/dbraw/zinc/06/86/51/645068651.db2.gz OUVDRRJDMMEVIO-UHFFFAOYSA-N 0 0 231.339 3.538 20 0 BHADRN CC(C)=C(C)C(=O)NCc1ccc(C(C)(C)C)o1 ZINC000826905233 587365048 /nfs/dbraw/zinc/36/50/48/587365048.db2.gz NTYGXLSSIPINAM-UHFFFAOYSA-N 0 0 249.354 3.550 20 0 BHADRN CCCN(C(=O)CCCC(C)C)c1cccnc1 ZINC000826914618 587365277 /nfs/dbraw/zinc/36/52/77/587365277.db2.gz QIVILWYYVNEGSB-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CCC1(CC)CCN(C(=O)C(C)=C2CCC2)C1 ZINC000827004449 587367792 /nfs/dbraw/zinc/36/77/92/587367792.db2.gz IIZRUXYHGUOXAH-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CC1CC(Nc2ccc3c(c2)[C@H](O)CCCC3)C1 ZINC000827025708 587368264 /nfs/dbraw/zinc/36/82/64/587368264.db2.gz LTSSERRILCFYBN-HFLCMSJXSA-N 0 0 245.366 3.657 20 0 BHADRN CC1CC(Nc2ccc3c(c2)[C@@H](O)CCCC3)C1 ZINC000827025709 587368303 /nfs/dbraw/zinc/36/83/03/587368303.db2.gz LTSSERRILCFYBN-INORYPFCSA-N 0 0 245.366 3.657 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC000827026525 587368428 /nfs/dbraw/zinc/36/84/28/587368428.db2.gz RVURGYVLVGPDKV-AXAPSJFSSA-N 0 0 245.366 3.514 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000827026526 587368426 /nfs/dbraw/zinc/36/84/26/587368426.db2.gz RVURGYVLVGPDKV-FFSVYQOJSA-N 0 0 245.366 3.514 20 0 BHADRN C[C@@H]1C[C@@H]1CNc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000827026527 587368454 /nfs/dbraw/zinc/36/84/54/587368454.db2.gz RVURGYVLVGPDKV-KFNAQCHYSA-N 0 0 245.366 3.514 20 0 BHADRN C[C@@H]1C[C@H]1CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC000827026528 587368209 /nfs/dbraw/zinc/36/82/09/587368209.db2.gz RVURGYVLVGPDKV-PVXIVEMSSA-N 0 0 245.366 3.514 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC000827026553 587368310 /nfs/dbraw/zinc/36/83/10/587368310.db2.gz SEWMTKXEFMHBPS-HFBAOOFYSA-N 0 0 245.366 3.657 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000827026554 587368361 /nfs/dbraw/zinc/36/83/61/587368361.db2.gz SEWMTKXEFMHBPS-LYRGGWFBSA-N 0 0 245.366 3.657 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000827026555 587368253 /nfs/dbraw/zinc/36/82/53/587368253.db2.gz SEWMTKXEFMHBPS-RLCCDNCMSA-N 0 0 245.366 3.657 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC000827026556 587368472 /nfs/dbraw/zinc/36/84/72/587368472.db2.gz SEWMTKXEFMHBPS-XFBWCDHKSA-N 0 0 245.366 3.657 20 0 BHADRN CC(C)[C@H](C)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC000827026598 587368441 /nfs/dbraw/zinc/36/84/41/587368441.db2.gz SQQRZPKXQIQHNI-BLLLJJGKSA-N 0 0 247.382 3.903 20 0 BHADRN CC(C)[C@H](C)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000827026600 587368289 /nfs/dbraw/zinc/36/82/89/587368289.db2.gz SQQRZPKXQIQHNI-LRDDRELGSA-N 0 0 247.382 3.903 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC000827026601 587368431 /nfs/dbraw/zinc/36/84/31/587368431.db2.gz SQQRZPKXQIQHNI-MLGOLLRUSA-N 0 0 247.382 3.903 20 0 BHADRN CC(C)[C@@H](C)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000827026603 587368284 /nfs/dbraw/zinc/36/82/84/587368284.db2.gz SQQRZPKXQIQHNI-WBMJQRKESA-N 0 0 247.382 3.903 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC000827031580 587368565 /nfs/dbraw/zinc/36/85/65/587368565.db2.gz BAMZGDBDZIXOQE-CYBMUJFWSA-N 0 0 235.371 3.526 20 0 BHADRN CCC[C@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC000827031581 587368510 /nfs/dbraw/zinc/36/85/10/587368510.db2.gz BAMZGDBDZIXOQE-ZDUSSCGKSA-N 0 0 235.371 3.526 20 0 BHADRN CC(C(=O)N[C@@H]1CCCCC1(C)C)=C1CCC1 ZINC000827032077 584896689 /nfs/dbraw/zinc/89/66/89/584896689.db2.gz MAVSEHRJXGWPHQ-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@H]1CCCCC1(C)C)=C1CCC1 ZINC000827032078 584896893 /nfs/dbraw/zinc/89/68/93/584896893.db2.gz MAVSEHRJXGWPHQ-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)NCC1(C)CCCCC1)=C1CCC1 ZINC000827032281 587368612 /nfs/dbraw/zinc/36/86/12/587368612.db2.gz SOVOHJRMEQRRGA-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN CCCC1(CNC(=O)C(C)=C2CCC2)CCC1 ZINC000827048148 587368885 /nfs/dbraw/zinc/36/88/85/587368885.db2.gz IZFJWJDZTSDACG-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN CCC1(CNC(=O)C(C)=C2CCC2)CCCC1 ZINC000827090351 587369909 /nfs/dbraw/zinc/36/99/09/587369909.db2.gz NDXXJYBBXGUSEA-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN COc1cccc(NC(=O)CCC2(C)CC2)c1C ZINC000827179152 587372189 /nfs/dbraw/zinc/37/21/89/587372189.db2.gz YNDVAHSDWUGAFY-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN CC(C)c1nnc(NC2CCCCCCC2)o1 ZINC000827270042 587374710 /nfs/dbraw/zinc/37/47/10/587374710.db2.gz LGAXYKJJBSIGFX-UHFFFAOYSA-N 0 0 237.347 3.718 20 0 BHADRN CC(C)[C@H]1CC[C@@H]1Nc1ccc2c(c1)CCOC2 ZINC000827320151 587376837 /nfs/dbraw/zinc/37/68/37/587376837.db2.gz HQMBQQYPBISGOJ-CVEARBPZSA-N 0 0 245.366 3.606 20 0 BHADRN CC(C)[C@@H]1CC[C@@H]1Nc1ccc2c(c1)CCOC2 ZINC000827320152 587376854 /nfs/dbraw/zinc/37/68/54/587376854.db2.gz HQMBQQYPBISGOJ-HOTGVXAUSA-N 0 0 245.366 3.606 20 0 BHADRN CC(C)[C@H]1CC[C@H]1Nc1ccc2c(c1)CCOC2 ZINC000827320153 587377008 /nfs/dbraw/zinc/37/70/08/587377008.db2.gz HQMBQQYPBISGOJ-HZPDHXFCSA-N 0 0 245.366 3.606 20 0 BHADRN CC(C)[C@@H]1CC[C@H]1Nc1ccc2c(c1)CCOC2 ZINC000827320154 587376865 /nfs/dbraw/zinc/37/68/65/587376865.db2.gz HQMBQQYPBISGOJ-JKSUJKDBSA-N 0 0 245.366 3.606 20 0 BHADRN C[C@H](CC(C)(C)C)Nc1ccc2c(c1)CCOC2 ZINC000827322097 645078579 /nfs/dbraw/zinc/07/85/79/645078579.db2.gz UCEPDXRLRGATEL-GFCCVEGCSA-N 0 0 247.382 3.996 20 0 BHADRN C[C@@H](CC(C)(C)C)Nc1ccc2c(c1)CCOC2 ZINC000827322099 645078162 /nfs/dbraw/zinc/07/81/62/645078162.db2.gz UCEPDXRLRGATEL-LBPRGKRZSA-N 0 0 247.382 3.996 20 0 BHADRN CC(C)(C)CC(C)(C)C(=O)Nc1ccns1 ZINC000827345055 587378084 /nfs/dbraw/zinc/37/80/84/587378084.db2.gz SDPDVJGGIVYEDT-UHFFFAOYSA-N 0 0 240.372 3.544 20 0 BHADRN CCN(CC1CC1)C(=O)c1ccccc1C(C)C ZINC000827364153 587378719 /nfs/dbraw/zinc/37/87/19/587378719.db2.gz BGLWCKAFDCHNSF-UHFFFAOYSA-N 0 0 245.366 3.682 20 0 BHADRN CC(C(=O)Nc1cc(C)cc(F)c1)=C1CCC1 ZINC000827383574 587379117 /nfs/dbraw/zinc/37/91/17/587379117.db2.gz GSWFGNREBAFYPT-UHFFFAOYSA-N 0 0 233.286 3.573 20 0 BHADRN CCCCC1(C(=O)Nc2cc(O)ccc2C)CC1 ZINC000827416786 587380574 /nfs/dbraw/zinc/38/05/74/587380574.db2.gz WNVLDZLPJKEMAL-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CC(C)c1ccccc1C(=O)NC[C@H]1CC1(C)C ZINC000827424390 587380889 /nfs/dbraw/zinc/38/08/89/587380889.db2.gz DEWBUOQAYZWOMU-GFCCVEGCSA-N 0 0 245.366 3.586 20 0 BHADRN CC(C)c1ccccc1C(=O)NC[C@@H]1CC1(C)C ZINC000827424391 587380891 /nfs/dbraw/zinc/38/08/91/587380891.db2.gz DEWBUOQAYZWOMU-LBPRGKRZSA-N 0 0 245.366 3.586 20 0 BHADRN CC1(C(=O)Nc2ccc3occc3c2)CC=CC1 ZINC000827447545 587381943 /nfs/dbraw/zinc/38/19/43/587381943.db2.gz HBGKKTSDMSDSHC-UHFFFAOYSA-N 0 0 241.290 3.728 20 0 BHADRN C[C@]1(C(=O)Nc2ccc3occc3c2)C=CCC1 ZINC000827448366 587381894 /nfs/dbraw/zinc/38/18/94/587381894.db2.gz SFNNMZALCPQFGT-HNNXBMFYSA-N 0 0 241.290 3.728 20 0 BHADRN C[C@@]1(C(=O)Nc2ccc3occc3c2)C=CCC1 ZINC000827448367 587381712 /nfs/dbraw/zinc/38/17/12/587381712.db2.gz SFNNMZALCPQFGT-OAHLLOKOSA-N 0 0 241.290 3.728 20 0 BHADRN CCCCC[C@H](C)Nc1nnc(C(C)C)o1 ZINC000827451343 587381899 /nfs/dbraw/zinc/38/18/99/587381899.db2.gz CAGIAHDZKJNLKL-JTQLQIEISA-N 0 0 225.336 3.574 20 0 BHADRN CCCCC[C@@H](C)Nc1nnc(C(C)C)o1 ZINC000827451344 587381721 /nfs/dbraw/zinc/38/17/21/587381721.db2.gz CAGIAHDZKJNLKL-SNVBAGLBSA-N 0 0 225.336 3.574 20 0 BHADRN CCCCC[C@@H](C)Nc1ncc(C(F)F)cn1 ZINC000827451498 587381612 /nfs/dbraw/zinc/38/16/12/587381612.db2.gz GKOGMQQKIKGIDW-SECBINFHSA-N 0 0 243.301 3.795 20 0 BHADRN CCCCC[C@H](C)Nc1ncc(C(F)F)cn1 ZINC000827451501 587381607 /nfs/dbraw/zinc/38/16/07/587381607.db2.gz GKOGMQQKIKGIDW-VIFPVBQESA-N 0 0 243.301 3.795 20 0 BHADRN CCCC[C@](C)(F)C(=O)N1CCCC(C)(C)C1 ZINC000827456846 587382241 /nfs/dbraw/zinc/38/22/41/587382241.db2.gz PAEDLQBONXEWHY-AWEZNQCLSA-N 0 0 243.366 3.553 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N1CCCC(C)(C)C1 ZINC000827456848 587382153 /nfs/dbraw/zinc/38/21/53/587382153.db2.gz PAEDLQBONXEWHY-CQSZACIVSA-N 0 0 243.366 3.553 20 0 BHADRN CC(C(=O)Nc1ncccc1C(C)C)=C1CCC1 ZINC000827607359 587392584 /nfs/dbraw/zinc/39/25/84/587392584.db2.gz UHFIKCOKEFNKBM-UHFFFAOYSA-N 0 0 244.338 3.644 20 0 BHADRN C[C@H](CNc1ncc(C(F)F)cn1)C(C)(C)C ZINC000827628636 587393247 /nfs/dbraw/zinc/39/32/47/587393247.db2.gz BGJMTCHJVDISSH-MRVPVSSYSA-N 0 0 243.301 3.508 20 0 BHADRN C[C@@H](CNc1ncc(C(F)F)cn1)C(C)(C)C ZINC000827628638 587393189 /nfs/dbraw/zinc/39/31/89/587393189.db2.gz BGJMTCHJVDISSH-QMMMGPOBSA-N 0 0 243.301 3.508 20 0 BHADRN C[C@]12CCCC[C@H]1CN2C(=O)C[C@H]1CC=CCC1 ZINC000827652036 645083433 /nfs/dbraw/zinc/08/34/33/645083433.db2.gz MTJATDUGHUCFGX-DZKIICNBSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@]12CCCC[C@H]1CN2C(=O)C[C@@H]1CC=CCC1 ZINC000827652037 645082784 /nfs/dbraw/zinc/08/27/84/645082784.db2.gz MTJATDUGHUCFGX-YCPHGPKFSA-N 0 0 247.382 3.524 20 0 BHADRN CCCCC1(C(=O)Nc2cc(C)cc(O)c2)CC1 ZINC000827658804 587394777 /nfs/dbraw/zinc/39/47/77/587394777.db2.gz BQZJOFKLPVVNKE-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CCCCC1(C(=O)N2CCCC3(CC3)CC2)CC1 ZINC000827672763 645084129 /nfs/dbraw/zinc/08/41/29/645084129.db2.gz KPQGLSVYFFYHFN-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN O=C(C[C@H]1CC=CCC1)N1CCCC2(CC2)CC1 ZINC000827673598 645084792 /nfs/dbraw/zinc/08/47/92/645084792.db2.gz ZKNYMLLBMKMUAK-AWEZNQCLSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(C[C@@H]1CC=CCC1)N1CCCC2(CC2)CC1 ZINC000827673599 645084346 /nfs/dbraw/zinc/08/43/46/645084346.db2.gz ZKNYMLLBMKMUAK-CQSZACIVSA-N 0 0 247.382 3.526 20 0 BHADRN C/C=C\C[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC000827737334 587400180 /nfs/dbraw/zinc/40/01/80/587400180.db2.gz UZJYBFIDIJFGHN-NQHOJNORSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C/C[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC000827737335 587400300 /nfs/dbraw/zinc/40/03/00/587400300.db2.gz UZJYBFIDIJFGHN-RDFMZFSFSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C\C[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC000827737336 587400084 /nfs/dbraw/zinc/40/00/84/587400084.db2.gz UZJYBFIDIJFGHN-VQTKUKTRSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C/C[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC000827737337 584900678 /nfs/dbraw/zinc/90/06/78/584900678.db2.gz UZJYBFIDIJFGHN-XGACYXMMSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C\C[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000827737527 587400303 /nfs/dbraw/zinc/40/03/03/587400303.db2.gz WOIYATMATAYHQE-PUFASFLSSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C\C[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000827737528 587400450 /nfs/dbraw/zinc/40/04/50/587400450.db2.gz WOIYATMATAYHQE-RAQZUPNJSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C/C[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000827737529 587400417 /nfs/dbraw/zinc/40/04/17/587400417.db2.gz WOIYATMATAYHQE-WVSRPDOZSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C/C[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000827737530 587400098 /nfs/dbraw/zinc/40/00/98/587400098.db2.gz WOIYATMATAYHQE-YMBFEGSUSA-N 0 0 247.382 3.548 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N[C@H](C)C1CCCC1 ZINC000827740726 587400671 /nfs/dbraw/zinc/40/06/71/587400671.db2.gz GKJLWXHWYNNNPK-BXUZGUMPSA-N 0 0 243.366 3.600 20 0 BHADRN CCCC[C@](C)(F)C(=O)N[C@@H](C)C1CCCC1 ZINC000827740728 587400565 /nfs/dbraw/zinc/40/05/65/587400565.db2.gz GKJLWXHWYNNNPK-FZMZJTMJSA-N 0 0 243.366 3.600 20 0 BHADRN CCCC[C@](C)(F)C(=O)N[C@H](C)C1CCCC1 ZINC000827740729 587400783 /nfs/dbraw/zinc/40/07/83/587400783.db2.gz GKJLWXHWYNNNPK-RISCZKNCSA-N 0 0 243.366 3.600 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N[C@@H](C)C1CCCC1 ZINC000827740731 587400540 /nfs/dbraw/zinc/40/05/40/587400540.db2.gz GKJLWXHWYNNNPK-SMDDNHRTSA-N 0 0 243.366 3.600 20 0 BHADRN O=C(Oc1cccc2c1CCC2)OC1CCCC1 ZINC000827776896 587401722 /nfs/dbraw/zinc/40/17/22/587401722.db2.gz HAXMRELDQPUEFC-UHFFFAOYSA-N 0 0 246.306 3.633 20 0 BHADRN C[C@@H]1CCCCCN1C(=O)c1ccc(CF)cc1 ZINC000827793463 587402465 /nfs/dbraw/zinc/40/24/65/587402465.db2.gz QCDQBSIUDVFGCT-GFCCVEGCSA-N 0 0 249.329 3.561 20 0 BHADRN C[C@H]1CCCCCN1C(=O)c1ccc(CF)cc1 ZINC000827793464 587402514 /nfs/dbraw/zinc/40/25/14/587402514.db2.gz QCDQBSIUDVFGCT-LBPRGKRZSA-N 0 0 249.329 3.561 20 0 BHADRN Cc1ccccc1C1(NC(=O)OC(C)(C)C)CC1 ZINC000827877458 587406904 /nfs/dbraw/zinc/40/69/04/587406904.db2.gz SZJUZVDFJGVAEB-UHFFFAOYSA-N 0 0 247.338 3.509 20 0 BHADRN CC(C(=O)N1CC=C(C(C)(C)C)CC1)=C1CCC1 ZINC000827878413 587406713 /nfs/dbraw/zinc/40/67/13/587406713.db2.gz VNNJDOJDEGVUTK-UHFFFAOYSA-N 0 0 247.382 3.692 20 0 BHADRN CCCCC[C@@H](NC(=O)CCCF)C(C)(C)C ZINC000827904181 587409235 /nfs/dbraw/zinc/40/92/35/587409235.db2.gz VQKVCIXEXRCSKI-GFCCVEGCSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCC[C@H](NC(=O)CCCF)C(C)(C)C ZINC000827904183 587409264 /nfs/dbraw/zinc/40/92/64/587409264.db2.gz VQKVCIXEXRCSKI-LBPRGKRZSA-N 0 0 245.382 3.847 20 0 BHADRN CC/C(C)=C/C(=O)N1CCCC12CCCCC2 ZINC000827912252 587409596 /nfs/dbraw/zinc/40/95/96/587409596.db2.gz CJXARWDSKSZAKX-OUKQBFOZSA-N 0 0 235.371 3.668 20 0 BHADRN CC/C(C)=C\C(=O)N1CCCC12CCCCC2 ZINC000827912253 587409507 /nfs/dbraw/zinc/40/95/07/587409507.db2.gz CJXARWDSKSZAKX-SEYXRHQNSA-N 0 0 235.371 3.668 20 0 BHADRN CC(C(=O)N1CCCC12CCCCC2)=C1CCC1 ZINC000827913269 587409257 /nfs/dbraw/zinc/40/92/57/587409257.db2.gz VHCLQCYQMTZFBT-UHFFFAOYSA-N 0 0 247.382 3.812 20 0 BHADRN CC(C)[C@@H]1N(C(=O)C2CC2)CC12CCCCCC2 ZINC000828001446 587416093 /nfs/dbraw/zinc/41/60/93/587416093.db2.gz IILSVMOBVGLVON-AWEZNQCLSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)[C@H]1N(C(=O)C2CC2)CC12CCCCCC2 ZINC000828001447 587415982 /nfs/dbraw/zinc/41/59/82/587415982.db2.gz IILSVMOBVGLVON-CQSZACIVSA-N 0 0 249.398 3.604 20 0 BHADRN CCCC[C@@](C)(F)C(=O)Nc1ccsc1 ZINC000828048130 587417895 /nfs/dbraw/zinc/41/78/95/587417895.db2.gz IMLHBUVSWNZBQF-LLVKDONJSA-N 0 0 229.320 3.605 20 0 BHADRN CCCC[C@](C)(F)C(=O)Nc1ccsc1 ZINC000828048131 587417763 /nfs/dbraw/zinc/41/77/63/587417763.db2.gz IMLHBUVSWNZBQF-NSHDSACASA-N 0 0 229.320 3.605 20 0 BHADRN Cc1sccc1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C ZINC000828147545 587422007 /nfs/dbraw/zinc/42/20/07/587422007.db2.gz CAFRKCUSCGUSPQ-NUGNTBJXSA-N 0 0 249.379 3.677 20 0 BHADRN Cc1sccc1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C ZINC000828147549 587421956 /nfs/dbraw/zinc/42/19/56/587421956.db2.gz CAFRKCUSCGUSPQ-PDEGPIFNSA-N 0 0 249.379 3.677 20 0 BHADRN Cc1sccc1NC(=O)C[C@@H]1CC=CCC1 ZINC000828147659 587421531 /nfs/dbraw/zinc/42/15/31/587421531.db2.gz DDRSGDLZJFWUNH-LLVKDONJSA-N 0 0 235.352 3.741 20 0 BHADRN Cc1sccc1NC(=O)C[C@H]1CC=CCC1 ZINC000828147662 587421413 /nfs/dbraw/zinc/42/14/13/587421413.db2.gz DDRSGDLZJFWUNH-NSHDSACASA-N 0 0 235.352 3.741 20 0 BHADRN CCCCC1(C(=O)Nc2ccsc2C)CC1 ZINC000828147857 587421785 /nfs/dbraw/zinc/42/17/85/587421785.db2.gz GIYGLXISENDEHA-UHFFFAOYSA-N 0 0 237.368 3.965 20 0 BHADRN Cc1sccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000828148221 587421719 /nfs/dbraw/zinc/42/17/19/587421719.db2.gz MZNAWKWXXXISEM-CNDDSTCGSA-N 0 0 249.379 3.821 20 0 BHADRN Cc1sccc1NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000828148223 587421877 /nfs/dbraw/zinc/42/18/77/587421877.db2.gz MZNAWKWXXXISEM-ZSBIGDGJSA-N 0 0 249.379 3.821 20 0 BHADRN Cc1sccc1NC(=O)CCC1(C)CC1 ZINC000828148249 587421944 /nfs/dbraw/zinc/42/19/44/587421944.db2.gz NKUAPZZTPRJYRJ-UHFFFAOYSA-N 0 0 223.341 3.575 20 0 BHADRN Cc1sccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000828149305 587421762 /nfs/dbraw/zinc/42/17/62/587421762.db2.gz YUFQYOSOYPFGCX-SDDRHHMPSA-N 0 0 249.379 3.821 20 0 BHADRN CCN(CC1CCC(=O)CC1)c1ccc(C)cc1 ZINC000828172483 587423013 /nfs/dbraw/zinc/42/30/13/587423013.db2.gz FGLBGPQJIKJKNO-UHFFFAOYSA-N 0 0 245.366 3.581 20 0 BHADRN CC(C)c1ccccc1C(=O)NCCCC1CC1 ZINC000828219546 587424735 /nfs/dbraw/zinc/42/47/35/587424735.db2.gz HWDXJYNJDRVRJG-UHFFFAOYSA-N 0 0 245.366 3.730 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@@H]1CC=CCC1 ZINC000828223921 587425388 /nfs/dbraw/zinc/42/53/88/587425388.db2.gz AYJXOHWLIIKYSR-CYBMUJFWSA-N 0 0 243.350 3.649 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@H]1CC=CCC1 ZINC000828223922 587425325 /nfs/dbraw/zinc/42/53/25/587425325.db2.gz AYJXOHWLIIKYSR-ZDUSSCGKSA-N 0 0 243.350 3.649 20 0 BHADRN Cc1ccccc1[C@@H](C)NC(=O)C1(C)CC=CC1 ZINC000828256309 587428388 /nfs/dbraw/zinc/42/83/88/587428388.db2.gz SHWVGGKSXAJRKR-CYBMUJFWSA-N 0 0 243.350 3.529 20 0 BHADRN Cc1ccccc1[C@@H](C)NC(=O)[C@@]1(C)C=CCC1 ZINC000828256337 587428344 /nfs/dbraw/zinc/42/83/44/587428344.db2.gz SYZWJWKHGQYARB-CJNGLKHVSA-N 0 0 243.350 3.529 20 0 BHADRN Cc1ccccc1[C@@H](C)NC(=O)[C@]1(C)C=CCC1 ZINC000828256338 587428478 /nfs/dbraw/zinc/42/84/78/587428478.db2.gz SYZWJWKHGQYARB-CZUORRHYSA-N 0 0 243.350 3.529 20 0 BHADRN Cc1ccc(Cl)c(NCCC(C)(F)F)n1 ZINC000828292233 645102399 /nfs/dbraw/zinc/10/23/99/645102399.db2.gz AGMPGJFHJUCHIP-UHFFFAOYSA-N 0 0 234.677 3.501 20 0 BHADRN CC(C)C(=O)Nc1cccc(F)c1C(C)(F)F ZINC000828313925 587434229 /nfs/dbraw/zinc/43/42/29/587434229.db2.gz WHNGZLCECZMJMJ-UHFFFAOYSA-N 0 0 245.244 3.532 20 0 BHADRN CCCC(=O)Nc1cccc(F)c1C(C)(F)F ZINC000828313962 587434463 /nfs/dbraw/zinc/43/44/63/587434463.db2.gz YAQZWCIZOVVKNG-UHFFFAOYSA-N 0 0 245.244 3.676 20 0 BHADRN CC(C(=O)N1CC[C@@H](C)C2(CCC2)C1)=C1CCC1 ZINC000828333314 587435829 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CC(C)OC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000830395071 587548820 /nfs/dbraw/zinc/54/88/20/587548820.db2.gz FHDWHCJLXYLHDG-CQSZACIVSA-N 0 0 247.338 3.662 20 0 BHADRN Cc1cc(C)cc([C@@H](C)NC(=O)OC2CCC2)c1 ZINC000830423729 587551461 /nfs/dbraw/zinc/55/14/61/587551461.db2.gz ZFTADINFPIORNX-GFCCVEGCSA-N 0 0 247.338 3.643 20 0 BHADRN Cc1cc(C)cc([C@H](C)NC(=O)OC2CCC2)c1 ZINC000830423731 587551232 /nfs/dbraw/zinc/55/12/32/587551232.db2.gz ZFTADINFPIORNX-LBPRGKRZSA-N 0 0 247.338 3.643 20 0 BHADRN Cc1cccc(N(C(=O)OC2CCC2)C(C)C)c1 ZINC000830439252 587551406 /nfs/dbraw/zinc/55/14/06/587551406.db2.gz BSGYFTPYKXPGNH-UHFFFAOYSA-N 0 0 247.338 3.899 20 0 BHADRN Cc1ccc(N(C(=O)OC2CCC2)C(C)C)cc1 ZINC000830439311 587551192 /nfs/dbraw/zinc/55/11/92/587551192.db2.gz CECZKKYIPVHYPA-UHFFFAOYSA-N 0 0 247.338 3.899 20 0 BHADRN CCCCC[C@@H]1CCCN1C(=O)C(F)(F)CC ZINC000830497840 587554466 /nfs/dbraw/zinc/55/44/66/587554466.db2.gz JAGUZHUDYASTLE-LLVKDONJSA-N 0 0 247.329 3.603 20 0 BHADRN CCCCC[C@H]1CCCN1C(=O)C(F)(F)CC ZINC000830497841 587554223 /nfs/dbraw/zinc/55/42/23/587554223.db2.gz JAGUZHUDYASTLE-NSHDSACASA-N 0 0 247.329 3.603 20 0 BHADRN Cc1cccc([C@@H](C)NC(=O)OC2CCC2)c1C ZINC000830535572 587556722 /nfs/dbraw/zinc/55/67/22/587556722.db2.gz UDLMVQYOMAMYNU-GFCCVEGCSA-N 0 0 247.338 3.643 20 0 BHADRN Cc1cccc([C@H](C)NC(=O)OC2CCC2)c1C ZINC000830535575 587556608 /nfs/dbraw/zinc/55/66/08/587556608.db2.gz UDLMVQYOMAMYNU-LBPRGKRZSA-N 0 0 247.338 3.643 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cc2[nH]ccc2cc1C ZINC000830543997 587557078 /nfs/dbraw/zinc/55/70/78/587557078.db2.gz COHAKOBRVPZKGU-JXMROGBWSA-N 0 0 242.322 3.771 20 0 BHADRN CC/C(C)=C\C(=O)Nc1cc2[nH]ccc2cc1C ZINC000830543998 587557177 /nfs/dbraw/zinc/55/71/77/587557177.db2.gz COHAKOBRVPZKGU-YFHOEESVSA-N 0 0 242.322 3.771 20 0 BHADRN C[N@H+](Cc1cc(Cl)nc(Cl)c1)C(C)(C)C ZINC000830546247 587557208 /nfs/dbraw/zinc/55/72/08/587557208.db2.gz UVXSNUNSFSFVII-UHFFFAOYSA-N 0 0 247.169 3.619 20 0 BHADRN O=C(Oc1cc(Cl)ccc1F)OC1CCC1 ZINC000830552610 587556727 /nfs/dbraw/zinc/55/67/27/587556727.db2.gz CRHIQKBJFIJJBQ-UHFFFAOYSA-N 0 0 244.649 3.547 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)OC1CCC1 ZINC000830557859 587558585 /nfs/dbraw/zinc/55/85/85/587558585.db2.gz CJXOLODTBRGPFT-UHFFFAOYSA-N 0 0 240.686 3.716 20 0 BHADRN Cc1cccc(C(C)(C)NC(=O)OC2CCC2)c1 ZINC000830558081 587558370 /nfs/dbraw/zinc/55/83/70/587558370.db2.gz KEWMNUBHBXZEHB-UHFFFAOYSA-N 0 0 247.338 3.509 20 0 BHADRN COCc1ccc(NC(=O)CCCC(C)C)cc1 ZINC000830564617 587558732 /nfs/dbraw/zinc/55/87/32/587558732.db2.gz SYTAPVVYKGPNNM-UHFFFAOYSA-N 0 0 249.354 3.598 20 0 BHADRN CC(C(=O)N1CCCC2(CCCC2)C1)=C1CCC1 ZINC000830644416 587562316 /nfs/dbraw/zinc/56/23/16/587562316.db2.gz QBPVWQPQINTOJB-UHFFFAOYSA-N 0 0 247.382 3.670 20 0 BHADRN CC/C(C)=C/C(=O)N1CCCC2(CCCC2)C1 ZINC000830644465 587562280 /nfs/dbraw/zinc/56/22/80/587562280.db2.gz SAJRNQRPWFBFLE-ACCUITESSA-N 0 0 235.371 3.526 20 0 BHADRN CC/C(C)=C\C(=O)N1CCCC2(CCCC2)C1 ZINC000830644466 587562197 /nfs/dbraw/zinc/56/21/97/587562197.db2.gz SAJRNQRPWFBFLE-QBFSEMIESA-N 0 0 235.371 3.526 20 0 BHADRN Cc1ccc(OC(=O)OC2CCC2)c(Cl)c1 ZINC000830657315 587562655 /nfs/dbraw/zinc/56/26/55/587562655.db2.gz AIVZYMNVCAJDKW-UHFFFAOYSA-N 0 0 240.686 3.716 20 0 BHADRN CC(C(=O)N[C@@H]1CCCC(C)(C)C1)=C1CCC1 ZINC000830696398 587564406 /nfs/dbraw/zinc/56/44/06/587564406.db2.gz GHICEKITHOBFBH-CYBMUJFWSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@H]1CCCC(C)(C)C1)=C1CCC1 ZINC000830696400 587564012 /nfs/dbraw/zinc/56/40/12/587564012.db2.gz GHICEKITHOBFBH-ZDUSSCGKSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C)OC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000830703609 587564397 /nfs/dbraw/zinc/56/43/97/587564397.db2.gz GFKPQATVVIGLJR-AWEZNQCLSA-N 0 0 247.338 3.662 20 0 BHADRN CC(C)OC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000830703610 587564296 /nfs/dbraw/zinc/56/42/96/587564296.db2.gz GFKPQATVVIGLJR-CQSZACIVSA-N 0 0 247.338 3.662 20 0 BHADRN CC(C(=O)N[C@@H]1CCC[C@@H](C)CC1)=C1CCC1 ZINC000830707922 587564951 /nfs/dbraw/zinc/56/49/51/587564951.db2.gz LTCYIKOEENSXRZ-BXUZGUMPSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@H]1CCC[C@H](C)CC1)=C1CCC1 ZINC000830707924 587564603 /nfs/dbraw/zinc/56/46/03/587564603.db2.gz LTCYIKOEENSXRZ-FZMZJTMJSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@H]1CCC[C@@H](C)CC1)=C1CCC1 ZINC000830707926 587564859 /nfs/dbraw/zinc/56/48/59/587564859.db2.gz LTCYIKOEENSXRZ-RISCZKNCSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@@H]1CCC[C@H](C)CC1)=C1CCC1 ZINC000830707928 587564956 /nfs/dbraw/zinc/56/49/56/587564956.db2.gz LTCYIKOEENSXRZ-SMDDNHRTSA-N 0 0 235.371 3.572 20 0 BHADRN Cc1ccc(Cl)cc1OC(=O)OC1CCC1 ZINC000830732951 587563880 /nfs/dbraw/zinc/56/38/80/587563880.db2.gz HQNXDVKXNOXHIU-UHFFFAOYSA-N 0 0 240.686 3.716 20 0 BHADRN CC(C)c1ccccc1C(=O)N(C)CCC1CC1 ZINC000830743556 587566202 /nfs/dbraw/zinc/56/62/02/587566202.db2.gz FAKQSZZGQYFKAJ-UHFFFAOYSA-N 0 0 245.366 3.682 20 0 BHADRN CCCCCC(=O)Nc1cncc(C(F)F)c1 ZINC000830762083 587568708 /nfs/dbraw/zinc/56/87/08/587568708.db2.gz GDRFDBNDMRMSBM-UHFFFAOYSA-N 0 0 242.269 3.538 20 0 BHADRN O=C(Oc1cccc2c1CCCC2)OC1CCC1 ZINC000830764656 587569105 /nfs/dbraw/zinc/56/91/05/587569105.db2.gz UVNAFNOQLPBHDX-UHFFFAOYSA-N 0 0 246.306 3.633 20 0 BHADRN CCCc1ccc(OC(=O)OC2CCC2)cc1 ZINC000830818099 587572272 /nfs/dbraw/zinc/57/22/72/587572272.db2.gz LVBNEASVBLZXEW-UHFFFAOYSA-N 0 0 234.295 3.707 20 0 BHADRN CCCC[C@@](C)(F)C(=O)Nc1cscc1C ZINC000830851445 587573801 /nfs/dbraw/zinc/57/38/01/587573801.db2.gz GNBQMFRQBLTRMJ-GFCCVEGCSA-N 0 0 243.347 3.913 20 0 BHADRN CCCC[C@](C)(F)C(=O)Nc1cscc1C ZINC000830851448 587573634 /nfs/dbraw/zinc/57/36/34/587573634.db2.gz GNBQMFRQBLTRMJ-LBPRGKRZSA-N 0 0 243.347 3.913 20 0 BHADRN CC(C)c1ccc(N(C)C(=O)OC2CCC2)cc1 ZINC000830872546 587574648 /nfs/dbraw/zinc/57/46/48/587574648.db2.gz LJNIKBSHMGCLPM-UHFFFAOYSA-N 0 0 247.338 3.935 20 0 BHADRN CC(C)C[C@@H](C)NC(=O)c1ccccc1C(C)C ZINC000830919515 587577507 /nfs/dbraw/zinc/57/75/07/587577507.db2.gz GDPRLWYURBUCBV-CYBMUJFWSA-N 0 0 247.382 3.974 20 0 BHADRN CC(C)C[C@H](C)NC(=O)c1ccccc1C(C)C ZINC000830919516 587577532 /nfs/dbraw/zinc/57/75/32/587577532.db2.gz GDPRLWYURBUCBV-ZDUSSCGKSA-N 0 0 247.382 3.974 20 0 BHADRN Cc1cc(F)ccc1OC(=O)OC1CCCC1 ZINC000830943427 587578467 /nfs/dbraw/zinc/57/84/67/587578467.db2.gz BMLSYOKCUBAFHH-UHFFFAOYSA-N 0 0 238.258 3.592 20 0 BHADRN O=C(Oc1ccc2c(c1)CCCC2)OC1CCC1 ZINC000830950919 587578734 /nfs/dbraw/zinc/57/87/34/587578734.db2.gz MESXKVSBKKCJLV-UHFFFAOYSA-N 0 0 246.306 3.633 20 0 BHADRN CC/C(C)=C\C(=O)NCc1ccc(C2CC2)cc1 ZINC000830972064 587579082 /nfs/dbraw/zinc/57/90/82/587579082.db2.gz CKTCLTVFERTLQM-BENRWUELSA-N 0 0 243.350 3.537 20 0 BHADRN CC/C(C)=C/C(=O)NCc1ccc(C2CC2)cc1 ZINC000830972065 587579069 /nfs/dbraw/zinc/57/90/69/587579069.db2.gz CKTCLTVFERTLQM-ZRDIBKRKSA-N 0 0 243.350 3.537 20 0 BHADRN O=C(Oc1ccc(Cl)c(F)c1)OC1CCC1 ZINC000830977398 587579668 /nfs/dbraw/zinc/57/96/68/587579668.db2.gz SODUOXXRKYCJNB-UHFFFAOYSA-N 0 0 244.649 3.547 20 0 BHADRN O=C(Oc1c(F)cccc1Cl)OC1CCC1 ZINC000831010701 587582411 /nfs/dbraw/zinc/58/24/11/587582411.db2.gz YZMZLGKDJDFLEI-UHFFFAOYSA-N 0 0 244.649 3.547 20 0 BHADRN CC(C)c1cccnc1NC(=O)[C@H]1CCC1(C)C ZINC000831012627 587582768 /nfs/dbraw/zinc/58/27/68/587582768.db2.gz OZGJLAAHZLYBIC-GFCCVEGCSA-N 0 0 246.354 3.580 20 0 BHADRN CC(C)c1cccnc1NC(=O)[C@@H]1CCC1(C)C ZINC000831012628 587582731 /nfs/dbraw/zinc/58/27/31/587582731.db2.gz OZGJLAAHZLYBIC-LBPRGKRZSA-N 0 0 246.354 3.580 20 0 BHADRN CCCC[C@](C)(F)C(=O)NCCC1=CCCC1 ZINC000831056352 587584373 /nfs/dbraw/zinc/58/43/73/587584373.db2.gz XFXNQYUUPDEGAG-AWEZNQCLSA-N 0 0 241.350 3.521 20 0 BHADRN CCCC[C@@](C)(F)C(=O)NCCC1=CCCC1 ZINC000831056353 587584262 /nfs/dbraw/zinc/58/42/62/587584262.db2.gz XFXNQYUUPDEGAG-CQSZACIVSA-N 0 0 241.350 3.521 20 0 BHADRN CC(C)c1ccccc1C(=O)N1CC(C(C)C)C1 ZINC000831086827 587585345 /nfs/dbraw/zinc/58/53/45/587585345.db2.gz HLNXQXBVZKTDGN-UHFFFAOYSA-N 0 0 245.366 3.538 20 0 BHADRN CC/C(C)=C\C(=O)N(C)Cc1cc(C)ccc1C ZINC000831090828 587585763 /nfs/dbraw/zinc/58/57/63/587585763.db2.gz KJTGPHWCVMWYLO-BENRWUELSA-N 0 0 245.366 3.618 20 0 BHADRN CC/C(C)=C/C(=O)N(C)Cc1cc(C)ccc1C ZINC000831090830 587585665 /nfs/dbraw/zinc/58/56/65/587585665.db2.gz KJTGPHWCVMWYLO-ZRDIBKRKSA-N 0 0 245.366 3.618 20 0 BHADRN CC(C)c1cccc(CNC(=O)OC2CCC2)c1 ZINC000831135829 584908994 /nfs/dbraw/zinc/90/89/94/584908994.db2.gz OIEJMNMGQJWWKL-UHFFFAOYSA-N 0 0 247.338 3.589 20 0 BHADRN O=C(Oc1cccc(Cl)c1F)OC1CCC1 ZINC000831136018 587587341 /nfs/dbraw/zinc/58/73/41/587587341.db2.gz WEHXIQZEVAMUNQ-UHFFFAOYSA-N 0 0 244.649 3.547 20 0 BHADRN CC/C(C)=C\C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000831148032 587587805 /nfs/dbraw/zinc/58/78/05/587587805.db2.gz LHQGZSBGFSZQBX-BENRWUELSA-N 0 0 245.366 3.618 20 0 BHADRN CC/C(C)=C/C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000831148033 584909147 /nfs/dbraw/zinc/90/91/47/584909147.db2.gz LHQGZSBGFSZQBX-ZRDIBKRKSA-N 0 0 245.366 3.618 20 0 BHADRN CCC[C@@H](NCC(F)(F)C(F)F)C(C)(C)C ZINC000831170235 587589064 /nfs/dbraw/zinc/58/90/64/587589064.db2.gz OXELEKPRXLHQNY-MRVPVSSYSA-N 0 0 243.288 3.691 20 0 BHADRN CCC[C@H](NCC(F)(F)C(F)F)C(C)(C)C ZINC000831170237 587589073 /nfs/dbraw/zinc/58/90/73/587589073.db2.gz OXELEKPRXLHQNY-QMMMGPOBSA-N 0 0 243.288 3.691 20 0 BHADRN CC(C(=O)N(CC1CCC1)C(C)C)=C1CCC1 ZINC000831187876 587590554 /nfs/dbraw/zinc/59/05/54/587590554.db2.gz SOZLEUPQYGBFKB-UHFFFAOYSA-N 0 0 235.371 3.524 20 0 BHADRN CC1=CCN(C(=O)c2ccccc2C(C)C)CC1 ZINC000831198423 587591394 /nfs/dbraw/zinc/59/13/94/587591394.db2.gz BFWURJIAKDARSE-UHFFFAOYSA-N 0 0 243.350 3.602 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@H](C)C1CCC1 ZINC000831205154 587591693 /nfs/dbraw/zinc/59/16/93/587591693.db2.gz QYHZSNGXVBUBOL-GFCCVEGCSA-N 0 0 245.366 3.728 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@@H](C)C1CCC1 ZINC000831205155 587591951 /nfs/dbraw/zinc/59/19/51/587591951.db2.gz QYHZSNGXVBUBOL-LBPRGKRZSA-N 0 0 245.366 3.728 20 0 BHADRN Cc1ccc(F)cc1OC(=O)OC1CCCC1 ZINC000831223455 587593136 /nfs/dbraw/zinc/59/31/36/587593136.db2.gz WPVAXILKPVAITA-UHFFFAOYSA-N 0 0 238.258 3.592 20 0 BHADRN Cc1cccc(OC(=O)OC2CCC2)c1Cl ZINC000831299267 587596378 /nfs/dbraw/zinc/59/63/78/587596378.db2.gz OFFUVDYLGAFEPZ-UHFFFAOYSA-N 0 0 240.686 3.716 20 0 BHADRN Cc1ccc(OC(=O)OC2CCCC2)cc1F ZINC000831315094 587597826 /nfs/dbraw/zinc/59/78/26/587597826.db2.gz RETOECWJECVXFV-UHFFFAOYSA-N 0 0 238.258 3.592 20 0 BHADRN O=C(Oc1cc(F)ccc1Cl)OC1CCC1 ZINC000831404197 587604165 /nfs/dbraw/zinc/60/41/65/587604165.db2.gz NGSOZUOJRKFNRS-UHFFFAOYSA-N 0 0 244.649 3.547 20 0 BHADRN CN(C(=O)OC1CCC1)C(C)(C)c1ccccc1 ZINC000831422022 587605609 /nfs/dbraw/zinc/60/56/09/587605609.db2.gz ZIBDVLIFFGJSEK-UHFFFAOYSA-N 0 0 247.338 3.543 20 0 BHADRN O=C(Oc1ccc2cc[nH]c2c1)OC1CCCC1 ZINC000831496405 587614341 /nfs/dbraw/zinc/61/43/41/587614341.db2.gz TXIMLIAGMKWNHU-UHFFFAOYSA-N 0 0 245.278 3.626 20 0 BHADRN Cc1ccc2c(c1)[C@@H](NC(=O)OC(C)C)CCC2 ZINC000831546830 587618046 /nfs/dbraw/zinc/61/80/46/587618046.db2.gz BAQVTKBGZBUIFF-AWEZNQCLSA-N 0 0 247.338 3.507 20 0 BHADRN CC(C(=O)N(C)[C@@H]1CCC(C)(C)C1)=C1CCC1 ZINC000831597139 587622649 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CC(C(=O)N1CCC(C)(C2CC2)CC1)=C1CCC1 ZINC000832904665 587694874 /nfs/dbraw/zinc/69/48/74/587694874.db2.gz VUMBUTBPVZWTBP-UHFFFAOYSA-N 0 0 247.382 3.526 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)C(C)=C1CCC1 ZINC000832949394 587695511 /nfs/dbraw/zinc/69/55/11/587695511.db2.gz IINBRQGDMDVPNL-LLVKDONJSA-N 0 0 223.360 3.524 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)C(C)=C1CCC1 ZINC000832949395 587695674 /nfs/dbraw/zinc/69/56/74/587695674.db2.gz IINBRQGDMDVPNL-NSHDSACASA-N 0 0 223.360 3.524 20 0 BHADRN CCC(CC)(CC)C(=O)N1CCC[C@@](C)(F)C1 ZINC000833062016 587698532 /nfs/dbraw/zinc/69/85/32/587698532.db2.gz IKHHXQWRNUTTNY-CYBMUJFWSA-N 0 0 243.366 3.553 20 0 BHADRN CCC(CC)(CC)C(=O)N1CCC[C@](C)(F)C1 ZINC000833062019 587698492 /nfs/dbraw/zinc/69/84/92/587698492.db2.gz IKHHXQWRNUTTNY-ZDUSSCGKSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCCC(=O)NCCCC(C)(F)F ZINC000833070039 587699671 /nfs/dbraw/zinc/69/96/71/587699671.db2.gz LMGOLTGFEPUAIH-UHFFFAOYSA-N 0 0 235.318 3.508 20 0 BHADRN C/C(=C/C(=O)NCCCC(C)(F)F)C(C)(C)C ZINC000833070042 587699635 /nfs/dbraw/zinc/69/96/35/587699635.db2.gz LRBRTHGOOISEQZ-KTKRTIGZSA-N 0 0 247.329 3.530 20 0 BHADRN C/C(=C\C(=O)NCCCC(C)(F)F)C(C)(C)C ZINC000833070043 587699762 /nfs/dbraw/zinc/69/97/62/587699762.db2.gz LRBRTHGOOISEQZ-MDZDMXLPSA-N 0 0 247.329 3.530 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NCCC(C)(F)F ZINC000833078678 587699749 /nfs/dbraw/zinc/69/97/49/587699749.db2.gz NDTWVTKOSPEMRE-LLVKDONJSA-N 0 0 249.345 3.754 20 0 BHADRN CCCCCC[C@H](C)C(=O)NCCC(C)(F)F ZINC000833078680 587699821 /nfs/dbraw/zinc/69/98/21/587699821.db2.gz NDTWVTKOSPEMRE-NSHDSACASA-N 0 0 249.345 3.754 20 0 BHADRN CC(F)(F)CCNC(=O)C1CCCCCCC1 ZINC000833078836 587700010 /nfs/dbraw/zinc/70/00/10/587700010.db2.gz PKQCRXDEESQTBM-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NCCC(C)(F)F ZINC000833085812 587700326 /nfs/dbraw/zinc/70/03/26/587700326.db2.gz ARPVIXFNNITMNF-LLVKDONJSA-N 0 0 249.345 3.754 20 0 BHADRN CCCCC[C@H](C)CC(=O)NCCC(C)(F)F ZINC000833085815 587699755 /nfs/dbraw/zinc/69/97/55/587699755.db2.gz ARPVIXFNNITMNF-NSHDSACASA-N 0 0 249.345 3.754 20 0 BHADRN CC(C)CCCCCC(=O)NCCC(C)(F)F ZINC000833085897 587700313 /nfs/dbraw/zinc/70/03/13/587700313.db2.gz BAEYCWFIDXMYSB-UHFFFAOYSA-N 0 0 249.345 3.754 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCCC(C)(F)F ZINC000833086305 587700272 /nfs/dbraw/zinc/70/02/72/587700272.db2.gz FTRHCTDVYZGGQE-LLVKDONJSA-N 0 0 249.345 3.754 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCCC(C)(F)F ZINC000833086307 587700210 /nfs/dbraw/zinc/70/02/10/587700210.db2.gz FTRHCTDVYZGGQE-NSHDSACASA-N 0 0 249.345 3.754 20 0 BHADRN CCCCCC(C)(C)C(=O)NCCC(C)(F)F ZINC000833087271 587700365 /nfs/dbraw/zinc/70/03/65/587700365.db2.gz YHMWPWBFKOMFQG-UHFFFAOYSA-N 0 0 249.345 3.754 20 0 BHADRN CC(C(=O)N1CC2(CCC2)[C@@H]1C(C)C)=C1CCC1 ZINC000833201523 587701934 /nfs/dbraw/zinc/70/19/34/587701934.db2.gz STKYXYNBUKJRTD-AWEZNQCLSA-N 0 0 247.382 3.524 20 0 BHADRN CC(C(=O)N1CC2(CCC2)[C@H]1C(C)C)=C1CCC1 ZINC000833201525 587702059 /nfs/dbraw/zinc/70/20/59/587702059.db2.gz STKYXYNBUKJRTD-CQSZACIVSA-N 0 0 247.382 3.524 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N[C@H](CC)C(F)F ZINC000833204093 587702426 /nfs/dbraw/zinc/70/24/26/587702426.db2.gz DJVXMEPPNYUOCD-GHMZBOCLSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N[C@@H](CC)C(F)F ZINC000833204094 587702460 /nfs/dbraw/zinc/70/24/60/587702460.db2.gz DJVXMEPPNYUOCD-MNOVXSKESA-N 0 0 249.345 3.753 20 0 BHADRN CCCCCC[C@H](C)C(=O)N[C@@H](CC)C(F)F ZINC000833204095 587702272 /nfs/dbraw/zinc/70/22/72/587702272.db2.gz DJVXMEPPNYUOCD-QWRGUYRKSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCCC[C@H](C)C(=O)N[C@H](CC)C(F)F ZINC000833204096 587702624 /nfs/dbraw/zinc/70/26/24/587702624.db2.gz DJVXMEPPNYUOCD-WDEREUQCSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCCC(C)(C)C(=O)N[C@@H](CC)C(F)F ZINC000833204320 587701131 /nfs/dbraw/zinc/70/11/31/587701131.db2.gz KCIWUDQNELFVKS-JTQLQIEISA-N 0 0 249.345 3.753 20 0 BHADRN CCCCCC(C)(C)C(=O)N[C@H](CC)C(F)F ZINC000833204321 587700548 /nfs/dbraw/zinc/70/05/48/587700548.db2.gz KCIWUDQNELFVKS-SNVBAGLBSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@H](CC)C(F)F ZINC000833204570 587702344 /nfs/dbraw/zinc/70/23/44/587702344.db2.gz RTHBCFRKFVPJBG-GHMZBOCLSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N[C@@H](CC)C(F)F ZINC000833204572 587702611 /nfs/dbraw/zinc/70/26/11/587702611.db2.gz RTHBCFRKFVPJBG-MNOVXSKESA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@@H](CC)C(F)F ZINC000833204573 587702209 /nfs/dbraw/zinc/70/22/09/587702209.db2.gz RTHBCFRKFVPJBG-QWRGUYRKSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@H](CC)C(=O)N[C@H](CC)C(F)F ZINC000833204575 587702438 /nfs/dbraw/zinc/70/24/38/587702438.db2.gz RTHBCFRKFVPJBG-WDEREUQCSA-N 0 0 249.345 3.753 20 0 BHADRN CC[C@@H](NC(=O)C1CCCCCCC1)C(F)F ZINC000833204631 587702310 /nfs/dbraw/zinc/70/23/10/587702310.db2.gz SMRNFRNFTMXEOD-LLVKDONJSA-N 0 0 247.329 3.507 20 0 BHADRN CC[C@H](NC(=O)C1CCCCCCC1)C(F)F ZINC000833204633 587702241 /nfs/dbraw/zinc/70/22/41/587702241.db2.gz SMRNFRNFTMXEOD-NSHDSACASA-N 0 0 247.329 3.507 20 0 BHADRN CC[C@@H](NC(=O)CCCCCC(C)C)C(F)F ZINC000833204645 587702440 /nfs/dbraw/zinc/70/24/40/587702440.db2.gz STFIFJHDGUEBFF-LLVKDONJSA-N 0 0 249.345 3.753 20 0 BHADRN CC[C@H](NC(=O)CCCCCC(C)C)C(F)F ZINC000833204646 587702639 /nfs/dbraw/zinc/70/26/39/587702639.db2.gz STFIFJHDGUEBFF-NSHDSACASA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@H](CC)C(F)F ZINC000833204701 587702194 /nfs/dbraw/zinc/70/21/94/587702194.db2.gz SWMGEMATLGAPIC-GHMZBOCLSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N[C@@H](CC)C(F)F ZINC000833204702 587702196 /nfs/dbraw/zinc/70/21/96/587702196.db2.gz SWMGEMATLGAPIC-MNOVXSKESA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@@H](CC)C(F)F ZINC000833204703 587702226 /nfs/dbraw/zinc/70/22/26/587702226.db2.gz SWMGEMATLGAPIC-QWRGUYRKSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@H](C)CC(=O)N[C@H](CC)C(F)F ZINC000833204704 587702397 /nfs/dbraw/zinc/70/23/97/587702397.db2.gz SWMGEMATLGAPIC-WDEREUQCSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CC2(CC2)C1 ZINC000833317535 587705656 /nfs/dbraw/zinc/70/56/56/587705656.db2.gz ZHQNVQBOBKPRAN-AWEZNQCLSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CC2(CC2)C1 ZINC000833317537 587706013 /nfs/dbraw/zinc/70/60/13/587706013.db2.gz ZHQNVQBOBKPRAN-CQSZACIVSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)N1CC2(CC2)C1 ZINC000833322433 587705866 /nfs/dbraw/zinc/70/58/66/587705866.db2.gz BVHKUNUKIBDPEN-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1CC2(CC2)C1 ZINC000833322434 587705984 /nfs/dbraw/zinc/70/59/84/587705984.db2.gz BVHKUNUKIBDPEN-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1CC2(CC2)C1 ZINC000833322694 587705586 /nfs/dbraw/zinc/70/55/86/587705586.db2.gz KXNGKBAUGAQTRI-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1CC2(CC2)C1 ZINC000833322695 587705778 /nfs/dbraw/zinc/70/57/78/587705778.db2.gz KXNGKBAUGAQTRI-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CCCCCCC(=O)NCC1=CCCCC1 ZINC000833343016 587706871 /nfs/dbraw/zinc/70/68/71/587706871.db2.gz DEOHPMLTDFZYHU-UHFFFAOYSA-N 0 0 223.360 3.573 20 0 BHADRN CC(C(=O)NCC(C)(C)C(C)(C)C)=C1CCC1 ZINC000833574231 587721013 /nfs/dbraw/zinc/72/10/13/587721013.db2.gz BODSSIQPWXOTEQ-UHFFFAOYSA-N 0 0 237.387 3.675 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CC[C@@H]1C1CC1 ZINC000833690097 587727815 /nfs/dbraw/zinc/72/78/15/587727815.db2.gz IMMZKLCEAIBAHX-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CC[C@H]1C1CC1 ZINC000833690098 587728113 /nfs/dbraw/zinc/72/81/13/587728113.db2.gz IMMZKLCEAIBAHX-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CC[C@H]1C1CC1 ZINC000833690099 587727811 /nfs/dbraw/zinc/72/78/11/587727811.db2.gz IMMZKLCEAIBAHX-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CC[C@@H]1C1CC1 ZINC000833690100 587728144 /nfs/dbraw/zinc/72/81/44/587728144.db2.gz IMMZKLCEAIBAHX-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)CCCCCC(=O)N1CC[C@H]1C1CC1 ZINC000833690139 587727892 /nfs/dbraw/zinc/72/78/92/587727892.db2.gz JHZXYPVRKVBINJ-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)CCCCCC(=O)N1CC[C@@H]1C1CC1 ZINC000833690140 587728083 /nfs/dbraw/zinc/72/80/83/587728083.db2.gz JHZXYPVRKVBINJ-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CC[C@@H]1C1CC1 ZINC000833690329 587728102 /nfs/dbraw/zinc/72/81/02/587728102.db2.gz PDRITCJPUUSNQL-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CC[C@H]1C1CC1 ZINC000833690330 587728166 /nfs/dbraw/zinc/72/81/66/587728166.db2.gz PDRITCJPUUSNQL-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CC[C@H]1C1CC1 ZINC000833690331 587728188 /nfs/dbraw/zinc/72/81/88/587728188.db2.gz PDRITCJPUUSNQL-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CC[C@@H]1C1CC1 ZINC000833690332 587728152 /nfs/dbraw/zinc/72/81/52/587728152.db2.gz PDRITCJPUUSNQL-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN C/C=C(/C=C\C(=O)NCC1=CCCCC1)CC ZINC000833791140 587731918 /nfs/dbraw/zinc/73/19/18/587731918.db2.gz RTULZUZONZHBDK-BGEZDZDMSA-N 0 0 233.355 3.516 20 0 BHADRN C/C=C(/C=C/C(=O)NCC1=CCCCC1)CC ZINC000833791143 587731840 /nfs/dbraw/zinc/73/18/40/587731840.db2.gz RTULZUZONZHBDK-NZZGVPOCSA-N 0 0 233.355 3.516 20 0 BHADRN O=C(C=C1CCC1)Nc1ccc2c(c1)CCCC2 ZINC000833908240 587739021 /nfs/dbraw/zinc/73/90/21/587739021.db2.gz GEHIXEITHXNVNV-UHFFFAOYSA-N 0 0 241.334 3.614 20 0 BHADRN CCC1(NC(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000833953114 645136169 /nfs/dbraw/zinc/13/61/69/645136169.db2.gz SMFAVEWPXDLAQP-UHFFFAOYSA-N 0 0 235.371 3.572 20 0 BHADRN CCCC(=CC(=O)NC1(CC)CC1)CCC ZINC000833953130 645135991 /nfs/dbraw/zinc/13/59/91/645135991.db2.gz VZPKCBBMMOXKLU-UHFFFAOYSA-N 0 0 223.360 3.572 20 0 BHADRN CCCC(=O)Oc1ccc2ccccc2c1OC ZINC000833971007 587741413 /nfs/dbraw/zinc/74/14/13/587741413.db2.gz AHUQTGOBKYDYPE-UHFFFAOYSA-N 0 0 244.290 3.554 20 0 BHADRN CCC1(NC(=O)[C@H](F)c2ccccc2)CCCC1 ZINC000834303961 587750935 /nfs/dbraw/zinc/75/09/35/587750935.db2.gz FWLGJWSREAMTET-CYBMUJFWSA-N 0 0 249.329 3.536 20 0 BHADRN CCC1(NC(=O)[C@@H](F)c2ccccc2)CCCC1 ZINC000834303962 587750799 /nfs/dbraw/zinc/75/07/99/587750799.db2.gz FWLGJWSREAMTET-ZDUSSCGKSA-N 0 0 249.329 3.536 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC1(CC)CCCC1 ZINC000834304187 587750738 /nfs/dbraw/zinc/75/07/38/587750738.db2.gz JMXBCLYCMDCCFT-QXMHVHEDSA-N 0 0 223.360 3.572 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC1(CC)CCCC1 ZINC000834304188 587750719 /nfs/dbraw/zinc/75/07/19/587750719.db2.gz JMXBCLYCMDCCFT-VAWYXSNFSA-N 0 0 223.360 3.572 20 0 BHADRN CCC1(NC(=O)[C@H](C)c2ccc(C)o2)CCCC1 ZINC000834304312 587750760 /nfs/dbraw/zinc/75/07/60/587750760.db2.gz PTDQTFROEGVLCC-GFCCVEGCSA-N 0 0 249.354 3.531 20 0 BHADRN CCC1(NC(=O)[C@@H](C)c2ccc(C)o2)CCCC1 ZINC000834304313 587750841 /nfs/dbraw/zinc/75/08/41/587750841.db2.gz PTDQTFROEGVLCC-LBPRGKRZSA-N 0 0 249.354 3.531 20 0 BHADRN CCC1(NC(=O)C(C)=C2CCCC2)CCCC1 ZINC000834304324 587750786 /nfs/dbraw/zinc/75/07/86/587750786.db2.gz QGKJQWMFPVDOOS-UHFFFAOYSA-N 0 0 235.371 3.716 20 0 BHADRN CCC(=CC(=O)NC1(CC)CCCC1)CC ZINC000834304357 587750905 /nfs/dbraw/zinc/75/09/05/587750905.db2.gz RZATUPNYSZBROB-UHFFFAOYSA-N 0 0 223.360 3.572 20 0 BHADRN CCC1(NC(=O)/C=C/c2ccsc2)CCCC1 ZINC000834307593 587750991 /nfs/dbraw/zinc/75/09/91/587750991.db2.gz AFFWGJLOTQMJNH-AATRIKPKSA-N 0 0 249.379 3.600 20 0 BHADRN CCC1(NC(=O)/C=C\c2ccsc2)CCCC1 ZINC000834307594 587751200 /nfs/dbraw/zinc/75/12/00/587751200.db2.gz AFFWGJLOTQMJNH-WAYWQWQTSA-N 0 0 249.379 3.600 20 0 BHADRN CCC1(NC(=O)C=C(C2CC2)C2CC2)CCCC1 ZINC000834307690 587751193 /nfs/dbraw/zinc/75/11/93/587751193.db2.gz FSHKWQXMNCUFPS-UHFFFAOYSA-N 0 0 247.382 3.572 20 0 BHADRN CCC/C(C)=C\C(=O)NC1(CC)CCCC1 ZINC000834307748 587750953 /nfs/dbraw/zinc/75/09/53/587750953.db2.gz HRZAXHMTCTZHOK-QXMHVHEDSA-N 0 0 223.360 3.572 20 0 BHADRN CCC/C(C)=C/C(=O)NC1(CC)CCCC1 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/nfs/dbraw/zinc/16/71/05/645167105.db2.gz NNXAORREJZQNRX-DTWKUNHWSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@H](C)COC(=O)[C@@H](CC)CC(F)(F)F ZINC000835270691 645167110 /nfs/dbraw/zinc/16/71/10/645167110.db2.gz NNXAORREJZQNRX-IUCAKERBSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@@H](C)COC(=O)[C@H](CC)CC(F)(F)F ZINC000835270693 645167118 /nfs/dbraw/zinc/16/71/18/645167118.db2.gz NNXAORREJZQNRX-RKDXNWHRSA-N 0 0 240.265 3.554 20 0 BHADRN Cc1ccncc1[C@@H](C)OC(=O)CCCC(C)C ZINC000835273120 587793768 /nfs/dbraw/zinc/79/37/68/587793768.db2.gz ZANNLNYJKDDYNW-CYBMUJFWSA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ccncc1[C@H](C)OC(=O)CCCC(C)C ZINC000835273121 587793691 /nfs/dbraw/zinc/79/36/91/587793691.db2.gz ZANNLNYJKDDYNW-ZDUSSCGKSA-N 0 0 249.354 3.821 20 0 BHADRN CC[C@H](CC(C)C)C(=O)OCc1ncccc1C ZINC000835321856 587796412 /nfs/dbraw/zinc/79/64/12/587796412.db2.gz BXLVWHGZFQJQBG-CYBMUJFWSA-N 0 0 249.354 3.506 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)OCc1ncccc1C ZINC000835321857 587796336 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PVQUJDMASPWNLO-VIFPVBQESA-N 0 0 249.335 3.642 20 0 BHADRN CC/C(C)=C/C(=O)OCCCCC(F)(F)F ZINC000835379763 587799144 /nfs/dbraw/zinc/79/91/44/587799144.db2.gz ZMVSHSNQTYVYDD-CMDGGOBGSA-N 0 0 238.249 3.619 20 0 BHADRN CC/C(C)=C\C(=O)OCCCCC(F)(F)F ZINC000835379765 587799158 /nfs/dbraw/zinc/79/91/58/587799158.db2.gz ZMVSHSNQTYVYDD-HJWRWDBZSA-N 0 0 238.249 3.619 20 0 BHADRN CC(F)(F)CCOC(=O)C1(C2CCC2)CCC1 ZINC000835381305 587799229 /nfs/dbraw/zinc/79/92/29/587799229.db2.gz IPPNXLIZUXZLKT-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)OCCC(C)(F)F ZINC000835381813 587799298 /nfs/dbraw/zinc/79/92/98/587799298.db2.gz PTKRWNAMAJJQGR-JTQLQIEISA-N 0 0 236.302 3.647 20 0 BHADRN CC[C@H](CC(C)C)C(=O)OCCC(C)(F)F ZINC000835381814 587799173 /nfs/dbraw/zinc/79/91/73/587799173.db2.gz PTKRWNAMAJJQGR-SNVBAGLBSA-N 0 0 236.302 3.647 20 0 BHADRN CCC[C@@H]1CCC[C@H]1C(=O)OCCC(C)(F)F ZINC000835382087 587799312 /nfs/dbraw/zinc/79/93/12/587799312.db2.gz UOUDRYXNCGFZSQ-GHMZBOCLSA-N 0 0 248.313 3.791 20 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/nfs/dbraw/zinc/84/83/06/587848306.db2.gz DSHIOPCNUJIIGV-FZMZJTMJSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](NC(=O)C[C@@H](C)C1CC1)C1CCCC1 ZINC000837043199 587848421 /nfs/dbraw/zinc/84/84/21/587848421.db2.gz DSHIOPCNUJIIGV-RISCZKNCSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@@H](NC(=O)C[C@H](C)C1CC1)C1CCCC1 ZINC000837043201 587848371 /nfs/dbraw/zinc/84/83/71/587848371.db2.gz DSHIOPCNUJIIGV-SMDDNHRTSA-N 0 0 237.387 3.508 20 0 BHADRN CC[C@H](NC(=O)C=C1CCCC1)C1CCCC1 ZINC000837043210 587849070 /nfs/dbraw/zinc/84/90/70/587849070.db2.gz DZERESXRXWGCBP-AWEZNQCLSA-N 0 0 235.371 3.572 20 0 BHADRN CC[C@@H](NC(=O)C=C1CCCC1)C1CCCC1 ZINC000837043212 587848761 /nfs/dbraw/zinc/84/87/61/587848761.db2.gz DZERESXRXWGCBP-CQSZACIVSA-N 0 0 235.371 3.572 20 0 BHADRN Cc1ccc(N(CC(C)C)C(=O)C(C)C)cc1 ZINC000837070822 645189416 /nfs/dbraw/zinc/18/94/16/645189416.db2.gz MNGKMZZVHYFXPV-UHFFFAOYSA-N 0 0 233.355 3.640 20 0 BHADRN Cc1ccc(N(CC(C)C)C(=O)C2CCC2)cc1 ZINC000837071923 645188896 /nfs/dbraw/zinc/18/88/96/645188896.db2.gz OMLAEBWRIQSNGT-UHFFFAOYSA-N 0 0 245.366 3.784 20 0 BHADRN COC(=O)N(CC(C)C)c1cccc(Cl)c1 ZINC000837089169 587852887 /nfs/dbraw/zinc/85/28/87/587852887.db2.gz MYUNQBCLFUPRRV-UHFFFAOYSA-N 0 0 241.718 3.569 20 0 BHADRN CC[C@@H]1CC[C@H](C)N(C(=O)C(C)=C2CCC2)C1 ZINC000837094827 587853416 /nfs/dbraw/zinc/85/34/16/587853416.db2.gz LXUQLHULBCFUGQ-WCQYABFASA-N 0 0 235.371 3.524 20 0 BHADRN O=C(NC[C@@H]1C[C@H]1C1CC1)C1CCCCCCC1 ZINC000837113085 587854630 /nfs/dbraw/zinc/85/46/30/587854630.db2.gz WJQNDFVYGRTFAI-GJZGRUSLSA-N 0 0 249.398 3.509 20 0 BHADRN CC(C)=C(C)C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000837143490 587856014 /nfs/dbraw/zinc/85/60/14/587856014.db2.gz CQFWBMNPSYMODV-UHFFFAOYSA-N 0 0 245.366 3.618 20 0 BHADRN CC/C=C(\C)C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000837143515 587856118 /nfs/dbraw/zinc/85/61/18/587856118.db2.gz DBGSHTXMOOZTQF-NTUHNPAUSA-N 0 0 245.366 3.618 20 0 BHADRN CC/C=C(/C)C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000837143517 587856088 /nfs/dbraw/zinc/85/60/88/587856088.db2.gz DBGSHTXMOOZTQF-QPEQYQDCSA-N 0 0 245.366 3.618 20 0 BHADRN CCC/C=C/C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000837143861 587855756 /nfs/dbraw/zinc/85/57/56/587855756.db2.gz HCFUFCZDWFDJHN-BQYQJAHWSA-N 0 0 245.366 3.618 20 0 BHADRN CCC/C=C\C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000837143864 587855424 /nfs/dbraw/zinc/85/54/24/587855424.db2.gz HCFUFCZDWFDJHN-FPLPWBNLSA-N 0 0 245.366 3.618 20 0 BHADRN C/C=C(\CC)C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000837148790 712601265 /nfs/dbraw/zinc/60/12/65/712601265.db2.gz PXLBWXDZEPTWCO-GIDUJCDVSA-N 0 0 245.366 3.618 20 0 BHADRN C/C=C(/CC)C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000837148791 712601283 /nfs/dbraw/zinc/60/12/83/712601283.db2.gz PXLBWXDZEPTWCO-UUASQNMZSA-N 0 0 245.366 3.618 20 0 BHADRN CC/C(C)=C/C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000837150015 712601295 /nfs/dbraw/zinc/60/12/95/712601295.db2.gz ULDVUVYGUOJZNZ-FMIVXFBMSA-N 0 0 245.366 3.618 20 0 BHADRN CC/C(C)=C\C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000837150016 712601270 /nfs/dbraw/zinc/60/12/70/712601270.db2.gz ULDVUVYGUOJZNZ-XFXZXTDPSA-N 0 0 245.366 3.618 20 0 BHADRN C/C=C(/CC)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000837167851 587856870 /nfs/dbraw/zinc/85/68/70/587856870.db2.gz QBNYCTNAYFYBFD-HOOXVRQISA-N 0 0 231.339 3.529 20 0 BHADRN C/C=C(\CC)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000837167858 587856683 /nfs/dbraw/zinc/85/66/83/587856683.db2.gz QBNYCTNAYFYBFD-XASFNGIFSA-N 0 0 231.339 3.529 20 0 BHADRN Cc1cccc([C@H](C)NC(=O)C=C2CCCC2)c1 ZINC000837169009 587856666 /nfs/dbraw/zinc/85/66/66/587856666.db2.gz OMBCMXCZUGMEBM-ZDUSSCGKSA-N 0 0 243.350 3.673 20 0 BHADRN C/C=C(/CC)C(=O)N(C(C)C)C1CC(C)(C)C1 ZINC000837180596 587857916 /nfs/dbraw/zinc/85/79/16/587857916.db2.gz DDXXYUZRRDHWJX-GHXNOFRVSA-N 0 0 237.387 3.768 20 0 BHADRN C/C=C(\CC)C(=O)N(C(C)C)C1CC(C)(C)C1 ZINC000837180597 587857510 /nfs/dbraw/zinc/85/75/10/587857510.db2.gz DDXXYUZRRDHWJX-KPKJPENVSA-N 0 0 237.387 3.768 20 0 BHADRN C/C(=C/C(=O)N(C(C)C)C1CC(C)(C)C1)C1CC1 ZINC000837181994 587857632 /nfs/dbraw/zinc/85/76/32/587857632.db2.gz BWUVDIPASOEOFD-WQLSENKSSA-N 0 0 249.398 3.768 20 0 BHADRN C/C(=C\C(=O)N(C(C)C)C1CC(C)(C)C1)C1CC1 ZINC000837181996 587857686 /nfs/dbraw/zinc/85/76/86/587857686.db2.gz BWUVDIPASOEOFD-XYOKQWHBSA-N 0 0 249.398 3.768 20 0 BHADRN C/C=C/C=C/C(=O)N(C(C)C)C1CC(C)(C)C1 ZINC000837183531 587858605 /nfs/dbraw/zinc/85/86/05/587858605.db2.gz RVZKSFDDMFFLQW-BLHCBFLLSA-N 0 0 235.371 3.544 20 0 BHADRN C/C=C/C=C\C(=O)N(C(C)C)C1CC(C)(C)C1 ZINC000837183532 587858349 /nfs/dbraw/zinc/85/83/49/587858349.db2.gz RVZKSFDDMFFLQW-MUIOLIGRSA-N 0 0 235.371 3.544 20 0 BHADRN CC(C(=O)N(C(C)C)C1CC(C)(C)C1)=C1CCC1 ZINC000837183559 587858159 /nfs/dbraw/zinc/85/81/59/587858159.db2.gz SVWKTURAURIHFV-UHFFFAOYSA-N 0 0 249.398 3.912 20 0 BHADRN CC/C=C(/C)C(=O)N(C(C)C)C1CC(C)(C)C1 ZINC000837183713 587858568 /nfs/dbraw/zinc/85/85/68/587858568.db2.gz UUZXNEMSQKPUCZ-WQLSENKSSA-N 0 0 237.387 3.768 20 0 BHADRN CC/C=C(\C)C(=O)N(C(C)C)C1CC(C)(C)C1 ZINC000837183715 587858152 /nfs/dbraw/zinc/85/81/52/587858152.db2.gz UUZXNEMSQKPUCZ-XYOKQWHBSA-N 0 0 237.387 3.768 20 0 BHADRN CC(C)N(C(=O)C=C1CCC1)C1CC(C)(C)C1 ZINC000837183762 587858278 /nfs/dbraw/zinc/85/82/78/587858278.db2.gz VKZRGJQJBUFNLP-UHFFFAOYSA-N 0 0 235.371 3.522 20 0 BHADRN CC(C)[C@@H]1N(C(=O)C=C2CCC2)CC12CCCC2 ZINC000837189892 587858063 /nfs/dbraw/zinc/85/80/63/587858063.db2.gz HFIZUQATYOCSGB-HNNXBMFYSA-N 0 0 247.382 3.524 20 0 BHADRN CC(C)[C@H]1N(C(=O)C=C2CCC2)CC12CCCC2 ZINC000837189894 587858604 /nfs/dbraw/zinc/85/86/04/587858604.db2.gz HFIZUQATYOCSGB-OAHLLOKOSA-N 0 0 247.382 3.524 20 0 BHADRN C/C=C/C=C/C(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000837191338 587858208 /nfs/dbraw/zinc/85/82/08/587858208.db2.gz ZIRSBJMJWMYKHG-BBKYWIAUSA-N 0 0 247.382 3.546 20 0 BHADRN C/C=C/C=C/C(=O)N1CC2(CCCC2)[C@@H]1C(C)C ZINC000837191342 587858528 /nfs/dbraw/zinc/85/85/28/587858528.db2.gz ZIRSBJMJWMYKHG-CFEMRXQESA-N 0 0 247.382 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CC2(CCCC2)[C@@H]1C(C)C ZINC000837191346 587858464 /nfs/dbraw/zinc/85/84/64/587858464.db2.gz ZIRSBJMJWMYKHG-IBXXQTPESA-N 0 0 247.382 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000837191350 587858426 /nfs/dbraw/zinc/85/84/26/587858426.db2.gz ZIRSBJMJWMYKHG-UPAIJHAPSA-N 0 0 247.382 3.546 20 0 BHADRN CC/C(C)=C\C(=O)NCC(C)(C)C1=CCCC1 ZINC000837215607 587859277 /nfs/dbraw/zinc/85/92/77/587859277.db2.gz DERPDLFYSGPOKY-BENRWUELSA-N 0 0 235.371 3.595 20 0 BHADRN CC/C(C)=C/C(=O)NCC(C)(C)C1=CCCC1 ZINC000837215609 587859456 /nfs/dbraw/zinc/85/94/56/587859456.db2.gz DERPDLFYSGPOKY-ZRDIBKRKSA-N 0 0 235.371 3.595 20 0 BHADRN CC(C(=O)NCC(C)(C)C1=CCCC1)=C1CCC1 ZINC000837215628 587859248 /nfs/dbraw/zinc/85/92/48/587859248.db2.gz DWZQJGDIFHSQOH-UHFFFAOYSA-N 0 0 247.382 3.740 20 0 BHADRN C[C@H](CC(=O)NCC(C)(C)C1=CCCC1)C1CC1 ZINC000837216118 587859187 /nfs/dbraw/zinc/85/91/87/587859187.db2.gz NQMNYFMGFZOVBM-GFCCVEGCSA-N 0 0 249.398 3.675 20 0 BHADRN C[C@@H](CC(=O)NCC(C)(C)C1=CCCC1)C1CC1 ZINC000837216119 587859177 /nfs/dbraw/zinc/85/91/77/587859177.db2.gz NQMNYFMGFZOVBM-LBPRGKRZSA-N 0 0 249.398 3.675 20 0 BHADRN CC(C)(CNC(=O)C=C1CCCC1)C1=CCCC1 ZINC000837216425 587859281 /nfs/dbraw/zinc/85/92/81/587859281.db2.gz RMQSZVWNWJTTBM-UHFFFAOYSA-N 0 0 247.382 3.740 20 0 BHADRN CC/C=C(/C)C(=O)NCC(C)(C)C1=CCCC1 ZINC000837216435 587859216 /nfs/dbraw/zinc/85/92/16/587859216.db2.gz SCAIZAGWSNKEFG-WQLSENKSSA-N 0 0 235.371 3.595 20 0 BHADRN CC/C=C(\C)C(=O)NCC(C)(C)C1=CCCC1 ZINC000837216436 587859462 /nfs/dbraw/zinc/85/94/62/587859462.db2.gz SCAIZAGWSNKEFG-XYOKQWHBSA-N 0 0 235.371 3.595 20 0 BHADRN CC(C)=C(C)C(=O)NCC(C)(C)C1=CCCC1 ZINC000837216516 645193988 /nfs/dbraw/zinc/19/39/88/645193988.db2.gz VBYGPPXJCAXZBR-UHFFFAOYSA-N 0 0 235.371 3.595 20 0 BHADRN CC(C(=O)NCC1(C2CCC2)CCC1)=C1CCC1 ZINC000837216576 645193774 /nfs/dbraw/zinc/19/37/74/645193774.db2.gz VDGODPGGQWZWDV-UHFFFAOYSA-N 0 0 247.382 3.573 20 0 BHADRN C/C=C(\CC)C(=O)NCC(C)(C)C1=CCCC1 ZINC000837216579 584937621 /nfs/dbraw/zinc/93/76/21/584937621.db2.gz VPLXAEXKGBPXBE-LFYBBSHMSA-N 0 0 235.371 3.595 20 0 BHADRN C/C=C(/CC)C(=O)NCC(C)(C)C1=CCCC1 ZINC000837216581 584937638 /nfs/dbraw/zinc/93/76/38/584937638.db2.gz VPLXAEXKGBPXBE-XGICHPGQSA-N 0 0 235.371 3.595 20 0 BHADRN C/C(=C/C(=O)NCC(C)(C)C1=CCCC1)C1CC1 ZINC000837216664 645193176 /nfs/dbraw/zinc/19/31/76/645193176.db2.gz XBNAVTWSSIIEHN-BENRWUELSA-N 0 0 247.382 3.595 20 0 BHADRN C/C(=C\C(=O)NCC(C)(C)C1=CCCC1)C1CC1 ZINC000837216665 645194012 /nfs/dbraw/zinc/19/40/12/645194012.db2.gz XBNAVTWSSIIEHN-ZRDIBKRKSA-N 0 0 247.382 3.595 20 0 BHADRN O=C(C=C1CCCC1)NCC1(C2CCC2)CCC1 ZINC000837217412 645193452 /nfs/dbraw/zinc/19/34/52/645193452.db2.gz MFSOLARTKPAKGQ-UHFFFAOYSA-N 0 0 247.382 3.573 20 0 BHADRN C[C@H](CC(=O)NCC1(C2CCC2)CCC1)C1CC1 ZINC000837218003 645192915 /nfs/dbraw/zinc/19/29/15/645192915.db2.gz VPCSZWZVIBDBAA-GFCCVEGCSA-N 0 0 249.398 3.509 20 0 BHADRN C[C@@H](CC(=O)NCC1(C2CCC2)CCC1)C1CC1 ZINC000837218004 645192802 /nfs/dbraw/zinc/19/28/02/645192802.db2.gz VPCSZWZVIBDBAA-LBPRGKRZSA-N 0 0 249.398 3.509 20 0 BHADRN CCC/C=C/C(=O)NCC(C)(C)C1=CCCC1 ZINC000837218674 645193655 /nfs/dbraw/zinc/19/36/55/645193655.db2.gz QSWGTZKLDLOPIC-IZZDOVSWSA-N 0 0 235.371 3.595 20 0 BHADRN CCC/C=C\C(=O)NCC(C)(C)C1=CCCC1 ZINC000837218675 645192768 /nfs/dbraw/zinc/19/27/68/645192768.db2.gz QSWGTZKLDLOPIC-WDZFZDKYSA-N 0 0 235.371 3.595 20 0 BHADRN CCCCCCC(=O)NCCC1CC(F)(F)C1 ZINC000837219724 645194718 /nfs/dbraw/zinc/19/47/18/645194718.db2.gz BDFQVHYNKFHZDM-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN C[C@H](CC(C)(C)C)NC(=O)C=C(C1CC1)C1CC1 ZINC000837228636 587860157 /nfs/dbraw/zinc/86/01/57/587860157.db2.gz MMUQDHNRXDRRHU-LLVKDONJSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@@H](CC(C)(C)C)NC(=O)C=C(C1CC1)C1CC1 ZINC000837228637 587860350 /nfs/dbraw/zinc/86/03/50/587860350.db2.gz MMUQDHNRXDRRHU-NSHDSACASA-N 0 0 249.398 3.674 20 0 BHADRN CC(C(=O)N[C@H](C)CC(C)(C)C)=C1CCCC1 ZINC000837228762 587860207 /nfs/dbraw/zinc/86/02/07/587860207.db2.gz QIHPJJDXQNTDDA-LLVKDONJSA-N 0 0 237.387 3.818 20 0 BHADRN CC(C(=O)N[C@@H](C)CC(C)(C)C)=C1CCCC1 ZINC000837228763 587860084 /nfs/dbraw/zinc/86/00/84/587860084.db2.gz QIHPJJDXQNTDDA-NSHDSACASA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H](C)CC(C)(C)C ZINC000837228774 587860128 /nfs/dbraw/zinc/86/01/28/587860128.db2.gz QNXQTVJUEHCLNK-JPQYHBGPSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H](C)CC(C)(C)C ZINC000837228775 587860164 /nfs/dbraw/zinc/86/01/64/587860164.db2.gz QNXQTVJUEHCLNK-KPMWUXBGSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H](C)CC(C)(C)C ZINC000837228776 587859934 /nfs/dbraw/zinc/85/99/34/587859934.db2.gz QNXQTVJUEHCLNK-NIANNCQZSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H](C)CC(C)(C)C ZINC000837228777 587859693 /nfs/dbraw/zinc/85/96/93/587859693.db2.gz QNXQTVJUEHCLNK-OCUQMRJBSA-N 0 0 225.376 3.674 20 0 BHADRN C[C@H](CC(C)(C)C)NC(=O)/C=C/C(C)(C)C ZINC000837229275 587860130 /nfs/dbraw/zinc/86/01/30/587860130.db2.gz YNOFOFCFCQFJDQ-ANYFNZRUSA-N 0 0 225.376 3.530 20 0 BHADRN C[C@@H](CC(C)(C)C)NC(=O)/C=C/C(C)(C)C ZINC000837229276 587860160 /nfs/dbraw/zinc/86/01/60/587860160.db2.gz YNOFOFCFCQFJDQ-FBOQAHMBSA-N 0 0 225.376 3.530 20 0 BHADRN C[C@@H](CC(C)(C)C)NC(=O)/C=C\C(C)(C)C ZINC000837229278 587860388 /nfs/dbraw/zinc/86/03/88/587860388.db2.gz YNOFOFCFCQFJDQ-IQQGHNRFSA-N 0 0 225.376 3.530 20 0 BHADRN C[C@H](CC(C)(C)C)NC(=O)/C=C\C(C)(C)C ZINC000837229280 584937869 /nfs/dbraw/zinc/93/78/69/584937869.db2.gz YNOFOFCFCQFJDQ-TYBABMIJSA-N 0 0 225.376 3.530 20 0 BHADRN C[C@H](CC(C)(C)C)NC(=O)C1(F)CCCCC1 ZINC000837230253 587860158 /nfs/dbraw/zinc/86/01/58/587860158.db2.gz ITLBTSKJCSKYRX-LLVKDONJSA-N 0 0 243.366 3.600 20 0 BHADRN C[C@@H](CC(C)(C)C)NC(=O)C1(F)CCCCC1 ZINC000837230254 587860260 /nfs/dbraw/zinc/86/02/60/587860260.db2.gz ITLBTSKJCSKYRX-NSHDSACASA-N 0 0 243.366 3.600 20 0 BHADRN CCCCCCC(=O)N[C@H](C1CC1)C1CCC1 ZINC000837246606 587861290 /nfs/dbraw/zinc/86/12/90/587861290.db2.gz SFCPXXZCGWAFGO-HNNXBMFYSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCCCC(=O)N[C@@H](C1CC1)C1CCC1 ZINC000837246607 587861143 /nfs/dbraw/zinc/86/11/43/587861143.db2.gz SFCPXXZCGWAFGO-OAHLLOKOSA-N 0 0 237.387 3.652 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000837248229 587861041 /nfs/dbraw/zinc/86/10/41/587861041.db2.gz AIVRZPNXQIVWDR-BMSUMIBZSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000837248230 587861185 /nfs/dbraw/zinc/86/11/85/587861185.db2.gz AIVRZPNXQIVWDR-IWMPZKFUSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000837248231 587861021 /nfs/dbraw/zinc/86/10/21/587861021.db2.gz AIVRZPNXQIVWDR-PLSXKVAHSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000837248232 587861078 /nfs/dbraw/zinc/86/10/78/587861078.db2.gz AIVRZPNXQIVWDR-VNDWYCCKSA-N 0 0 249.398 3.674 20 0 BHADRN CC(C(=O)N[C@H](C1CC1)C1CCC1)=C1CCCC1 ZINC000837249085 587860959 /nfs/dbraw/zinc/86/09/59/587860959.db2.gz JEXBWLQDFZVCFW-HNNXBMFYSA-N 0 0 247.382 3.572 20 0 BHADRN CC(C(=O)N[C@@H](C1CC1)C1CCC1)=C1CCCC1 ZINC000837249087 587861318 /nfs/dbraw/zinc/86/13/18/587861318.db2.gz JEXBWLQDFZVCFW-OAHLLOKOSA-N 0 0 247.382 3.572 20 0 BHADRN C/C=C(/C=C\C(=O)N[C@@H](C1CC1)C1CCC1)CC ZINC000837249200 587861294 /nfs/dbraw/zinc/86/12/94/587861294.db2.gz KHMDPEVWGFMDPC-AIMXVFRESA-N 0 0 247.382 3.594 20 0 BHADRN C/C=C(/C=C/C(=O)N[C@H](C1CC1)C1CCC1)CC ZINC000837249203 587861228 /nfs/dbraw/zinc/86/12/28/587861228.db2.gz KHMDPEVWGFMDPC-MALQVNJDSA-N 0 0 247.382 3.594 20 0 BHADRN C/C=C(/C=C\C(=O)N[C@H](C1CC1)C1CCC1)CC ZINC000837249204 587861235 /nfs/dbraw/zinc/86/12/35/587861235.db2.gz KHMDPEVWGFMDPC-QXYXRUORSA-N 0 0 247.382 3.594 20 0 BHADRN C/C=C(/C=C/C(=O)N[C@@H](C1CC1)C1CCC1)CC ZINC000837249205 587861262 /nfs/dbraw/zinc/86/12/62/587861262.db2.gz KHMDPEVWGFMDPC-YYVZPVKZSA-N 0 0 247.382 3.594 20 0 BHADRN O=C(C=C1CCCCC1)N[C@H](C1CC1)C1CCC1 ZINC000837249726 587861208 /nfs/dbraw/zinc/86/12/08/587861208.db2.gz OJDSKIBLYMLUFO-INIZCTEOSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(C=C1CCCCC1)N[C@@H](C1CC1)C1CCC1 ZINC000837249727 587861200 /nfs/dbraw/zinc/86/12/00/587861200.db2.gz OJDSKIBLYMLUFO-MRXNPFEDSA-N 0 0 247.382 3.572 20 0 BHADRN CC(C(=O)N[C@@]1(C)CCCC[C@H]1C)=C1CCC1 ZINC000837249830 587861609 /nfs/dbraw/zinc/86/16/09/587861609.db2.gz GQRNBRBXNGIXSO-ABAIWWIYSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@]1(C)CCCC[C@H]1C)=C1CCC1 ZINC000837249831 587861690 /nfs/dbraw/zinc/86/16/90/587861690.db2.gz GQRNBRBXNGIXSO-IAQYHMDHSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@@]1(C)CCCC[C@@H]1C)=C1CCC1 ZINC000837249832 587861665 /nfs/dbraw/zinc/86/16/65/587861665.db2.gz GQRNBRBXNGIXSO-NHYWBVRUSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C(=O)N[C@]1(C)CCCC[C@@H]1C)=C1CCC1 ZINC000837249833 587861678 /nfs/dbraw/zinc/86/16/78/587861678.db2.gz GQRNBRBXNGIXSO-XHDPSFHLSA-N 0 0 235.371 3.572 20 0 BHADRN C/C(=C\C(=O)N[C@@H](C1CC1)C1CCC1)C(C)(C)C ZINC000837250075 587861662 /nfs/dbraw/zinc/86/16/62/587861662.db2.gz RPFVDVBECGAWTR-AUECHBEKSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@@H](C1CC1)C1CCC1)C(C)(C)C ZINC000837250076 587861612 /nfs/dbraw/zinc/86/16/12/587861612.db2.gz RPFVDVBECGAWTR-JQPIKURYSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C\C(=O)N[C@H](C1CC1)C1CCC1)C(C)(C)C ZINC000837250079 587861452 /nfs/dbraw/zinc/86/14/52/587861452.db2.gz RPFVDVBECGAWTR-NKSUMMKUSA-N 0 0 249.398 3.674 20 0 BHADRN C/C(=C/C(=O)N[C@H](C1CC1)C1CCC1)C(C)(C)C ZINC000837250081 587861405 /nfs/dbraw/zinc/86/14/05/587861405.db2.gz RPFVDVBECGAWTR-WOLCWHLNSA-N 0 0 249.398 3.674 20 0 BHADRN C[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C)C1CC1 ZINC000837250152 587861635 /nfs/dbraw/zinc/86/16/35/587861635.db2.gz IGYATUWVWDPCDF-JMSVASOKSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@]1(C)CCCC[C@H]1C)C1CC1 ZINC000837250153 587861684 /nfs/dbraw/zinc/86/16/84/587861684.db2.gz IGYATUWVWDPCDF-LALPHHSUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C)C1CC1 ZINC000837250155 587861686 /nfs/dbraw/zinc/86/16/86/587861686.db2.gz IGYATUWVWDPCDF-TYNCELHUSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C)C1CC1 ZINC000837250156 587861646 /nfs/dbraw/zinc/86/16/46/587861646.db2.gz IGYATUWVWDPCDF-XUJVJEKNSA-N 0 0 237.387 3.508 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CC(CC)C1 ZINC000837259600 587862074 /nfs/dbraw/zinc/86/20/74/587862074.db2.gz UXSUMOIHERJLIP-HNNXBMFYSA-N 0 0 239.403 3.851 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CC(CC)C1 ZINC000837259605 587861923 /nfs/dbraw/zinc/86/19/23/587861923.db2.gz UXSUMOIHERJLIP-OAHLLOKOSA-N 0 0 239.403 3.851 20 0 BHADRN CC[C@@H](C)c1ccc(C(=O)N2CC(CC)C2)cc1 ZINC000837261010 587862119 /nfs/dbraw/zinc/86/21/19/587862119.db2.gz BRVKXDWFBPEIMM-GFCCVEGCSA-N 0 0 245.366 3.682 20 0 BHADRN CC[C@H](C)c1ccc(C(=O)N2CC(CC)C2)cc1 ZINC000837261011 587862063 /nfs/dbraw/zinc/86/20/63/587862063.db2.gz BRVKXDWFBPEIMM-LBPRGKRZSA-N 0 0 245.366 3.682 20 0 BHADRN CCCCC[C@H](C(=O)N1CC(CC)C1)C(C)C ZINC000837261724 587862543 /nfs/dbraw/zinc/86/25/43/587862543.db2.gz PWTJGMNFEFHITM-AWEZNQCLSA-N 0 0 239.403 3.707 20 0 BHADRN CCCCC[C@@H](C(=O)N1CC(CC)C1)C(C)C ZINC000837261725 587862491 /nfs/dbraw/zinc/86/24/91/587862491.db2.gz PWTJGMNFEFHITM-CQSZACIVSA-N 0 0 239.403 3.707 20 0 BHADRN C[C@@H](C(=O)NC1CCCCCCC1)C1CCC1 ZINC000837309030 587864970 /nfs/dbraw/zinc/86/49/70/587864970.db2.gz XLCUZJLNFOZDMH-GFCCVEGCSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@H](C(=O)NC1CCCCCCC1)C1CCC1 ZINC000837309031 587865126 /nfs/dbraw/zinc/86/51/26/587865126.db2.gz XLCUZJLNFOZDMH-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H](C(=O)Oc1ccccc1Cl)C1CCC1 ZINC000837316911 587865729 /nfs/dbraw/zinc/86/57/29/587865729.db2.gz IBBGXNOCQPNWKP-SECBINFHSA-N 0 0 238.714 3.682 20 0 BHADRN C[C@H](C(=O)Oc1ccccc1Cl)C1CCC1 ZINC000837316918 587865914 /nfs/dbraw/zinc/86/59/14/587865914.db2.gz IBBGXNOCQPNWKP-VIFPVBQESA-N 0 0 238.714 3.682 20 0 BHADRN CC[C@@H](CC(F)F)C(=O)Oc1ccc(C)cc1 ZINC000837319351 587866026 /nfs/dbraw/zinc/86/60/26/587866026.db2.gz ZIBICODWLARBLS-JTQLQIEISA-N 0 0 242.265 3.582 20 0 BHADRN CC[C@H](CC(F)F)C(=O)Oc1ccc(C)cc1 ZINC000837319352 587865942 /nfs/dbraw/zinc/86/59/42/587865942.db2.gz ZIBICODWLARBLS-SNVBAGLBSA-N 0 0 242.265 3.582 20 0 BHADRN CCCCC[C@@H](C)NC(=O)c1[nH]ccc1C1CC1 ZINC000837329105 587866624 /nfs/dbraw/zinc/86/66/24/587866624.db2.gz CGIUUBPVVFNXEL-LLVKDONJSA-N 0 0 248.370 3.591 20 0 BHADRN CCCCC[C@H](C)NC(=O)c1[nH]ccc1C1CC1 ZINC000837329107 587866707 /nfs/dbraw/zinc/86/67/07/587866707.db2.gz CGIUUBPVVFNXEL-NSHDSACASA-N 0 0 248.370 3.591 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H](CC)CC(F)F ZINC000837329611 587866552 /nfs/dbraw/zinc/86/65/52/587866552.db2.gz HZCWTYJHYZTXBX-GHMZBOCLSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H](CC)CC(F)F ZINC000837329627 587866685 /nfs/dbraw/zinc/86/66/85/587866685.db2.gz HZCWTYJHYZTXBX-MNOVXSKESA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H](CC)CC(F)F ZINC000837329629 587866792 /nfs/dbraw/zinc/86/67/92/587866792.db2.gz HZCWTYJHYZTXBX-QWRGUYRKSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H](CC)CC(F)F ZINC000837329631 587866857 /nfs/dbraw/zinc/86/68/57/587866857.db2.gz HZCWTYJHYZTXBX-WDEREUQCSA-N 0 0 249.345 3.753 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H](C)C1CCC1 ZINC000837330394 587866713 /nfs/dbraw/zinc/86/67/13/587866713.db2.gz RTUCVEQYIGXMED-NEPJUHHUSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H](C)C1CCC1 ZINC000837330398 587866611 /nfs/dbraw/zinc/86/66/11/587866611.db2.gz RTUCVEQYIGXMED-NWDGAFQWSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H](C)C1CCC1 ZINC000837330400 587866687 /nfs/dbraw/zinc/86/66/87/587866687.db2.gz RTUCVEQYIGXMED-RYUDHWBXSA-N 0 0 225.376 3.508 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H](C)C1CCC1 ZINC000837330404 587866613 /nfs/dbraw/zinc/86/66/13/587866613.db2.gz RTUCVEQYIGXMED-VXGBXAGGSA-N 0 0 225.376 3.508 20 0 BHADRN CCN(C(=O)[C@H](C)C1CCC1)c1ccc(C)cc1 ZINC000837335363 587867051 /nfs/dbraw/zinc/86/70/51/587867051.db2.gz QRZJWVORUCWWNV-CYBMUJFWSA-N 0 0 245.366 3.784 20 0 BHADRN CCN(C(=O)[C@@H](C)C1CCC1)c1ccc(C)cc1 ZINC000837335366 587866953 /nfs/dbraw/zinc/86/69/53/587866953.db2.gz QRZJWVORUCWWNV-ZDUSSCGKSA-N 0 0 245.366 3.784 20 0 BHADRN O=C(OCC1CCC(F)(F)CC1)C1CCCC1 ZINC000837336258 587867229 /nfs/dbraw/zinc/86/72/29/587867229.db2.gz ZZBPUGSXMCWQGL-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN CCCCC(=O)OCC1CCC(F)(F)CC1 ZINC000837336268 587867076 /nfs/dbraw/zinc/86/70/76/587867076.db2.gz AHUTYSIFVZCDMJ-UHFFFAOYSA-N 0 0 234.286 3.545 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)C2CCC2)cc1C ZINC000837355725 587868940 /nfs/dbraw/zinc/86/89/40/587868940.db2.gz QCLBWIUZNJMDHM-CYBMUJFWSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)C2CCC2)cc1C ZINC000837355744 587868717 /nfs/dbraw/zinc/86/87/17/587868717.db2.gz QCLBWIUZNJMDHM-ZDUSSCGKSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)C2CCC2)c(C)c1 ZINC000837355845 587868914 /nfs/dbraw/zinc/86/89/14/587868914.db2.gz RHWCBZPZDQCOAD-CYBMUJFWSA-N 0 0 245.366 3.702 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)C2CCC2)c(C)c1 ZINC000837355848 587868754 /nfs/dbraw/zinc/86/87/54/587868754.db2.gz RHWCBZPZDQCOAD-ZDUSSCGKSA-N 0 0 245.366 3.702 20 0 BHADRN CCC(C)(C)C(=O)OCC1CCC(F)(F)CC1 ZINC000837496104 587877364 /nfs/dbraw/zinc/87/73/64/587877364.db2.gz SYEAZGLCOWNWAK-UHFFFAOYSA-N 0 0 248.313 3.791 20 0 BHADRN CC(C)[C@H](C)C(=O)OCC1CCC(F)(F)CC1 ZINC000837521401 587879612 /nfs/dbraw/zinc/87/96/12/587879612.db2.gz AKLMJIKFZNHVJY-JTQLQIEISA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)[C@@H](C)C(=O)OCC1CCC(F)(F)CC1 ZINC000837521402 587879618 /nfs/dbraw/zinc/87/96/18/587879618.db2.gz AKLMJIKFZNHVJY-SNVBAGLBSA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)CCCCC(=O)NC12CCC(CC1)C2 ZINC000837527106 645201747 /nfs/dbraw/zinc/20/17/47/645201747.db2.gz IVOXZVRDHBNMJW-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN CC(=O)CCCCCOC(=O)CCC(C)(C)C ZINC000837535600 587880552 /nfs/dbraw/zinc/88/05/52/587880552.db2.gz PKWGDRZXZMQIJK-UHFFFAOYSA-N 0 0 242.359 3.505 20 0 BHADRN O=C(OCC/C=C\c1ccccc1)C1CC=CC1 ZINC000837538568 587880360 /nfs/dbraw/zinc/88/03/60/587880360.db2.gz 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585071784 /nfs/dbraw/zinc/07/17/84/585071784.db2.gz LNAIOBPLORIIOD-DTWKUNHWSA-N 0 0 240.265 3.697 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@@H](C)CC(F)(F)F ZINC000838817032 585071794 /nfs/dbraw/zinc/07/17/94/585071794.db2.gz LNAIOBPLORIIOD-IUCAKERBSA-N 0 0 240.265 3.697 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@H](C)CC(F)(F)F ZINC000838817033 585071767 /nfs/dbraw/zinc/07/17/67/585071767.db2.gz LNAIOBPLORIIOD-RKDXNWHRSA-N 0 0 240.265 3.697 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@H](CC)CC(F)F ZINC000838818364 585071749 /nfs/dbraw/zinc/07/17/49/585071749.db2.gz WUZNVVVDGJSADG-NXEZZACHSA-N 0 0 236.302 3.790 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@@H](CC)CC(F)F ZINC000838818365 585071859 /nfs/dbraw/zinc/07/18/59/585071859.db2.gz WUZNVVVDGJSADG-UWVGGRQHSA-N 0 0 236.302 3.790 20 0 BHADRN CCCC[C@H](C)OC(=O)[C@H](CC)CC(F)F ZINC000838818366 585071770 /nfs/dbraw/zinc/07/17/70/585071770.db2.gz WUZNVVVDGJSADG-VHSXEESVSA-N 0 0 236.302 3.790 20 0 BHADRN CCCC[C@@H](C)OC(=O)[C@@H](CC)CC(F)F ZINC000838818368 585071796 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/nfs/dbraw/zinc/07/47/39/585074739.db2.gz AATHFPCFLGWLGR-SNVBAGLBSA-N 0 0 238.352 3.536 20 0 BHADRN CC[C@H](CC(F)F)C(=O)OC[C@H]1C[C@@H]1C(C)C ZINC000838861769 585075883 /nfs/dbraw/zinc/07/58/83/585075883.db2.gz OUKVVRZJIFPLDF-GMTAPVOTSA-N 0 0 248.313 3.503 20 0 BHADRN CC[C@H](CC(F)F)C(=O)OC[C@H]1C[C@H]1C(C)C ZINC000838861770 585076103 /nfs/dbraw/zinc/07/61/03/585076103.db2.gz OUKVVRZJIFPLDF-MXWKQRLJSA-N 0 0 248.313 3.503 20 0 BHADRN CC[C@H](CC(F)F)C(=O)OC[C@@H]1C[C@@H]1C(C)C ZINC000838861771 585076083 /nfs/dbraw/zinc/07/60/83/585076083.db2.gz OUKVVRZJIFPLDF-OUAUKWLOSA-N 0 0 248.313 3.503 20 0 BHADRN CC[C@H](CC(F)F)C(=O)OC[C@@H]1C[C@H]1C(C)C ZINC000838861772 585075994 /nfs/dbraw/zinc/07/59/94/585075994.db2.gz OUKVVRZJIFPLDF-VWYCJHECSA-N 0 0 248.313 3.503 20 0 BHADRN COc1ccc(NC2CC3(CCC3)C2)cc1F ZINC000838866937 585076327 /nfs/dbraw/zinc/07/63/27/585076327.db2.gz YAGSHKBRRKOGDP-UHFFFAOYSA-N 0 0 235.302 3.579 20 0 BHADRN CCC[C@@H](C)COC(=O)[C@@H](C)CC(F)(F)F ZINC000838867358 585076483 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/nfs/dbraw/zinc/91/18/84/587911884.db2.gz CKLXFLQWQHONLA-WAYWQWQTSA-N 0 0 239.265 3.568 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(F)c(F)c1C ZINC000840568968 587911770 /nfs/dbraw/zinc/91/17/70/587911770.db2.gz JARYRPMZUCWBRI-UHFFFAOYSA-N 0 0 239.265 3.568 20 0 BHADRN C/C=C(/C=C\C(=O)N1CC[C@H](C2CCC2)C1)CC ZINC000840570963 587912412 /nfs/dbraw/zinc/91/24/12/587912412.db2.gz ANAIUEGGLPJLRW-COIUZSLQSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C(/C=C/C(=O)N1CC[C@@H](C2CCC2)C1)CC ZINC000840570965 582894831 /nfs/dbraw/zinc/89/48/31/582894831.db2.gz ANAIUEGGLPJLRW-JCMNVGHUSA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C(/C=C/C(=O)N1CC[C@H](C2CCC2)C1)CC ZINC000840570966 582894681 /nfs/dbraw/zinc/89/46/81/582894681.db2.gz ANAIUEGGLPJLRW-OOZMQLKASA-N 0 0 247.382 3.548 20 0 BHADRN C/C=C(/C=C\C(=O)N1CC[C@@H](C2CCC2)C1)CC ZINC000840570968 582894912 /nfs/dbraw/zinc/89/49/12/582894912.db2.gz ANAIUEGGLPJLRW-OXJNMIISSA-N 0 0 247.382 3.548 20 0 BHADRN CC(C(=O)N1CC[C@H](C2CCC2)C1)=C1CCCC1 ZINC000840572634 587912208 /nfs/dbraw/zinc/91/22/08/587912208.db2.gz LEACLXOGRCVPGD-HNNXBMFYSA-N 0 0 247.382 3.526 20 0 BHADRN CC(C(=O)N1CC[C@@H](C2CCC2)C1)=C1CCCC1 ZINC000840572636 587912319 /nfs/dbraw/zinc/91/23/19/587912319.db2.gz LEACLXOGRCVPGD-OAHLLOKOSA-N 0 0 247.382 3.526 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc(F)c(F)c1C ZINC000840573354 582910806 /nfs/dbraw/zinc/91/08/06/582910806.db2.gz BSWRLHXVCWTSGJ-BQYQJAHWSA-N 0 0 239.265 3.568 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccc(F)c(F)c1C ZINC000840573360 582911105 /nfs/dbraw/zinc/91/11/05/582911105.db2.gz BSWRLHXVCWTSGJ-FPLPWBNLSA-N 0 0 239.265 3.568 20 0 BHADRN CC[C@@H](C)OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000840595995 587913741 /nfs/dbraw/zinc/91/37/41/587913741.db2.gz KHMJINQMBGMYCZ-KYOSRNDESA-N 0 0 232.323 3.522 20 0 BHADRN CC[C@H](C)OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000840595997 587913647 /nfs/dbraw/zinc/91/36/47/587913647.db2.gz KHMJINQMBGMYCZ-LNSITVRQSA-N 0 0 232.323 3.522 20 0 BHADRN CC/C=C/CCOC(=O)C(C)(C)CC(F)F ZINC000840677942 587916227 /nfs/dbraw/zinc/91/62/27/587916227.db2.gz FWMGHKCOXVABDG-AATRIKPKSA-N 0 0 234.286 3.567 20 0 BHADRN CC/C=C\CCOC(=O)C(C)(C)CC(F)F ZINC000840677945 587916337 /nfs/dbraw/zinc/91/63/37/587916337.db2.gz FWMGHKCOXVABDG-WAYWQWQTSA-N 0 0 234.286 3.567 20 0 BHADRN CC(C)(C)CCOC(=O)C(C)(C)CC(F)F ZINC000840678052 587916008 /nfs/dbraw/zinc/91/60/08/587916008.db2.gz HBIFZHDHMILGDQ-UHFFFAOYSA-N 0 0 236.302 3.647 20 0 BHADRN CC(C)(CC(F)F)C(=O)OCC1=CCCCC1 ZINC000840680060 587916129 /nfs/dbraw/zinc/91/61/29/587916129.db2.gz WXARDUZOORSNJV-UHFFFAOYSA-N 0 0 246.297 3.711 20 0 BHADRN CCCc1ccc(N[C@H](C)c2ccn(C)n2)cc1 ZINC000840732090 583944938 /nfs/dbraw/zinc/94/49/38/583944938.db2.gz CDVUUCHIACWJGU-GFCCVEGCSA-N 0 0 243.354 3.546 20 0 BHADRN CCCc1ccc(N[C@@H](C)c2ccn(C)n2)cc1 ZINC000840732097 583945014 /nfs/dbraw/zinc/94/50/14/583945014.db2.gz CDVUUCHIACWJGU-LBPRGKRZSA-N 0 0 243.354 3.546 20 0 BHADRN O[C@@H](CSCc1ccccc1C1CC1)C1CC1 ZINC000840759852 587920527 /nfs/dbraw/zinc/92/05/27/587920527.db2.gz ONHCLHMTODNRSG-HNNXBMFYSA-N 0 0 248.391 3.568 20 0 BHADRN O[C@H](CSCc1ccccc1C1CC1)C1CC1 ZINC000840759853 587920220 /nfs/dbraw/zinc/92/02/20/587920220.db2.gz ONHCLHMTODNRSG-OAHLLOKOSA-N 0 0 248.391 3.568 20 0 BHADRN CCCC[C@@H](C)N(CCCC)C(=S)NCC ZINC000840761014 587917190 /nfs/dbraw/zinc/91/71/90/587917190.db2.gz NIYGDKRSQVQFKB-GFCCVEGCSA-N 0 0 244.448 3.562 20 0 BHADRN CCCC[C@H](C)N(CCCC)C(=S)NCC ZINC000840761015 587917106 /nfs/dbraw/zinc/91/71/06/587917106.db2.gz NIYGDKRSQVQFKB-LBPRGKRZSA-N 0 0 244.448 3.562 20 0 BHADRN C=COc1ccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000840771399 587921140 /nfs/dbraw/zinc/92/11/40/587921140.db2.gz IUGNFWUUGZHTLS-DABQJJPHSA-N 0 0 247.338 3.577 20 0 BHADRN C=COc1ccc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000840771400 587920957 /nfs/dbraw/zinc/92/09/57/587920957.db2.gz IUGNFWUUGZHTLS-IMRBUKKESA-N 0 0 247.338 3.577 20 0 BHADRN C=COc1ccc(N[C@H]2CCC[C@@H](OC)C2)cc1 ZINC000840771412 584981027 /nfs/dbraw/zinc/98/10/27/584981027.db2.gz JENFAKVBMCOFND-DZGCQCFKSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@@H]2CCC[C@H](OC)C2)cc1 ZINC000840771414 584980976 /nfs/dbraw/zinc/98/09/76/584980976.db2.gz JENFAKVBMCOFND-HIFRSBDPSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000840771415 584981070 /nfs/dbraw/zinc/98/10/70/584981070.db2.gz JENFAKVBMCOFND-UKRRQHHQSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@H]2CCC[C@H](OC)C2)cc1 ZINC000840771417 584980921 /nfs/dbraw/zinc/98/09/21/584980921.db2.gz JENFAKVBMCOFND-ZFWWWQNUSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@H]2CCO[C@@H](CC)C2)cc1 ZINC000840771690 587920983 /nfs/dbraw/zinc/92/09/83/587920983.db2.gz KWDNAJJASBLNET-KBPBESRZSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@@H]2CCO[C@@H](CC)C2)cc1 ZINC000840771692 587920838 /nfs/dbraw/zinc/92/08/38/587920838.db2.gz KWDNAJJASBLNET-KGLIPLIRSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@H]2CCO[C@H](CC)C2)cc1 ZINC000840771693 587920797 /nfs/dbraw/zinc/92/07/97/587920797.db2.gz KWDNAJJASBLNET-UONOGXRCSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@@H]2CCO[C@H](CC)C2)cc1 ZINC000840771694 587921155 /nfs/dbraw/zinc/92/11/55/587921155.db2.gz KWDNAJJASBLNET-ZIAGYGMSSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@H](C)[C@]2(C)CCCO2)cc1 ZINC000840772455 587921105 /nfs/dbraw/zinc/92/11/05/587921105.db2.gz UDMDTYZYSPDGNN-DOMZBBRYSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@H](C)[C@@]2(C)CCCO2)cc1 ZINC000840772456 587921007 /nfs/dbraw/zinc/92/10/07/587921007.db2.gz UDMDTYZYSPDGNN-IUODEOHRSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@@H](C)[C@@]2(C)CCCO2)cc1 ZINC000840772457 587920897 /nfs/dbraw/zinc/92/08/97/587920897.db2.gz UDMDTYZYSPDGNN-SWLSCSKDSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@@H](C)[C@]2(C)CCCO2)cc1 ZINC000840772458 587921052 /nfs/dbraw/zinc/92/10/52/587921052.db2.gz UDMDTYZYSPDGNN-WFASDCNBSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(NC2CCC(OC)CC2)cc1 ZINC000840772469 584981650 /nfs/dbraw/zinc/98/16/50/584981650.db2.gz UMNCYQLPNDRVRS-UHFFFAOYSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(NC2CCSCC2)cc1 ZINC000840772678 584982106 /nfs/dbraw/zinc/98/21/06/584982106.db2.gz AOKKMFNUDNRQIP-UHFFFAOYSA-N 0 0 235.352 3.516 20 0 BHADRN COc1ccc(N[C@@H](C)C(C)C)cc1SC ZINC000840774088 584989731 /nfs/dbraw/zinc/98/97/31/584989731.db2.gz ISKZJSLOXUAVLS-JTQLQIEISA-N 0 0 239.384 3.874 20 0 BHADRN COc1ccc(N[C@H](C)C(C)C)cc1SC ZINC000840774094 584989769 /nfs/dbraw/zinc/98/97/69/584989769.db2.gz ISKZJSLOXUAVLS-SNVBAGLBSA-N 0 0 239.384 3.874 20 0 BHADRN C=COc1ccc(N[C@@H]2CCCSC2)cc1 ZINC000840774708 584990748 /nfs/dbraw/zinc/99/07/48/584990748.db2.gz JCBPPNUTCHNTHV-GFCCVEGCSA-N 0 0 235.352 3.516 20 0 BHADRN C=COc1ccc(N[C@H]2CCCSC2)cc1 ZINC000840774711 584990831 /nfs/dbraw/zinc/99/08/31/584990831.db2.gz JCBPPNUTCHNTHV-LBPRGKRZSA-N 0 0 235.352 3.516 20 0 BHADRN COc1ccc(NC2CCCC2)cc1SC ZINC000840775113 584991466 /nfs/dbraw/zinc/99/14/66/584991466.db2.gz LZFGADZCLQQYOA-UHFFFAOYSA-N 0 0 237.368 3.772 20 0 BHADRN CCC1(NC(=S)Nc2cc(C)ccc2C)CC1 ZINC000840783876 587921292 /nfs/dbraw/zinc/92/12/92/587921292.db2.gz GLLGFOIQLBXIJN-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN CCC1(NC(=S)Nc2c(C)cccc2C)CC1 ZINC000840785194 587921382 /nfs/dbraw/zinc/92/13/82/587921382.db2.gz OVJUDAGDJRVJCC-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN CCC1(NC(=S)Nc2cc(C)cc(C)c2)CC1 ZINC000840785804 585030147 /nfs/dbraw/zinc/03/01/47/585030147.db2.gz UQILXOVIDDNMOB-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN CCC1(NC(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000840785922 587921694 /nfs/dbraw/zinc/92/16/94/587921694.db2.gz VXOCNRXYLKPOQS-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN CCC1(NC(=S)Nc2cccc(C)c2C)CC1 ZINC000840786188 587921866 /nfs/dbraw/zinc/92/18/66/587921866.db2.gz YUANUGNOFHMOLH-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN CCC1(NC(=S)Nc2ccc(C)cc2C)CC1 ZINC000840786234 585030351 /nfs/dbraw/zinc/03/03/51/585030351.db2.gz ZWXRFWHHRPLFNZ-UHFFFAOYSA-N 0 0 248.395 3.532 20 0 BHADRN CC/C=C/CNC(=S)Nc1cc(C)ccc1C ZINC000840790357 587921977 /nfs/dbraw/zinc/92/19/77/587921977.db2.gz GVTREYNSIXPEOS-AATRIKPKSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C\CNC(=S)Nc1cc(C)ccc1C ZINC000840790358 587921922 /nfs/dbraw/zinc/92/19/22/587921922.db2.gz GVTREYNSIXPEOS-WAYWQWQTSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C/CNC(=S)Nc1cccc(CC)c1 ZINC000840790427 587921728 /nfs/dbraw/zinc/92/17/28/587921728.db2.gz HZNNBSAGXNSKEV-AATRIKPKSA-N 0 0 248.395 3.502 20 0 BHADRN CC/C=C\CNC(=S)Nc1cccc(CC)c1 ZINC000840790428 587921880 /nfs/dbraw/zinc/92/18/80/587921880.db2.gz HZNNBSAGXNSKEV-WAYWQWQTSA-N 0 0 248.395 3.502 20 0 BHADRN CC/C=C/CNC(=S)Nc1c(C)cccc1C ZINC000840790781 585035795 /nfs/dbraw/zinc/03/57/95/585035795.db2.gz MHLPECGGNYOHBD-AATRIKPKSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C\CNC(=S)Nc1c(C)cccc1C ZINC000840790782 585035996 /nfs/dbraw/zinc/03/59/96/585035996.db2.gz MHLPECGGNYOHBD-WAYWQWQTSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C/CNC(=S)Nc1cccc(C)c1C ZINC000840790945 585036573 /nfs/dbraw/zinc/03/65/73/585036573.db2.gz ONQMQQJOFLVEFZ-AATRIKPKSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C\CNC(=S)Nc1cccc(C)c1C ZINC000840790946 585036468 /nfs/dbraw/zinc/03/64/68/585036468.db2.gz ONQMQQJOFLVEFZ-WAYWQWQTSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C/CNC(=S)Nc1ccccc1CC ZINC000840791159 585036862 /nfs/dbraw/zinc/03/68/62/585036862.db2.gz RAQOMNMMHAUNET-VMPITWQZSA-N 0 0 248.395 3.502 20 0 BHADRN CC/C=C\CNC(=S)Nc1ccccc1CC ZINC000840791161 585036863 /nfs/dbraw/zinc/03/68/63/585036863.db2.gz RAQOMNMMHAUNET-YVMONPNESA-N 0 0 248.395 3.502 20 0 BHADRN CC/C=C/CNC(=S)Nc1ccc(C)c(C)c1 ZINC000840791525 587921995 /nfs/dbraw/zinc/92/19/95/587921995.db2.gz UTVZZVZOIGNRMI-AATRIKPKSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C\CNC(=S)Nc1ccc(C)c(C)c1 ZINC000840791527 587921951 /nfs/dbraw/zinc/92/19/51/587921951.db2.gz UTVZZVZOIGNRMI-WAYWQWQTSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C/CNC(=S)Nc1ccc(C)cc1C ZINC000840791679 585045593 /nfs/dbraw/zinc/04/55/93/585045593.db2.gz WOZPONZINOPTCA-AATRIKPKSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C\CNC(=S)Nc1ccc(C)cc1C ZINC000840791683 585045566 /nfs/dbraw/zinc/04/55/66/585045566.db2.gz WOZPONZINOPTCA-WAYWQWQTSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C/CNC(=S)Nc1ccc(CC)cc1 ZINC000840791947 585047186 /nfs/dbraw/zinc/04/71/86/585047186.db2.gz XPLFTCLYWYQIRH-AATRIKPKSA-N 0 0 248.395 3.502 20 0 BHADRN CC/C=C\CNC(=S)Nc1ccc(CC)cc1 ZINC000840791949 585047352 /nfs/dbraw/zinc/04/73/52/585047352.db2.gz XPLFTCLYWYQIRH-WAYWQWQTSA-N 0 0 248.395 3.502 20 0 BHADRN CC/C=C/CNC(=S)Nc1cc(C)cc(C)c1 ZINC000840792261 587921810 /nfs/dbraw/zinc/92/18/10/587921810.db2.gz ZUOJPVNQCVCJRB-AATRIKPKSA-N 0 0 248.395 3.556 20 0 BHADRN CC/C=C\CNC(=S)Nc1cc(C)cc(C)c1 ZINC000840792262 587921779 /nfs/dbraw/zinc/92/17/79/587921779.db2.gz ZUOJPVNQCVCJRB-WAYWQWQTSA-N 0 0 248.395 3.556 20 0 BHADRN C[C@@H]1CC(C)(C)CN1C(=S)Nc1ccccc1 ZINC000840865919 587926077 /nfs/dbraw/zinc/92/60/77/587926077.db2.gz OQWDKQXEHCUECP-LLVKDONJSA-N 0 0 248.395 3.504 20 0 BHADRN C[C@H]1CC(C)(C)CN1C(=S)Nc1ccccc1 ZINC000840865921 587926520 /nfs/dbraw/zinc/92/65/20/587926520.db2.gz OQWDKQXEHCUECP-NSHDSACASA-N 0 0 248.395 3.504 20 0 BHADRN Cc1ccc([S@@](=O)CCCC(C)(C)C)s1 ZINC000840875277 587926976 /nfs/dbraw/zinc/92/69/76/587926976.db2.gz LPMNFJCDJDNQGY-HNNXBMFYSA-N 0 0 244.425 3.990 20 0 BHADRN Cc1ccc([S@](=O)CCCC(C)(C)C)s1 ZINC000840875278 587927232 /nfs/dbraw/zinc/92/72/32/587927232.db2.gz LPMNFJCDJDNQGY-OAHLLOKOSA-N 0 0 244.425 3.990 20 0 BHADRN CCC(C)(C)CC[S@](=O)c1ccc(C)s1 ZINC000840877975 587927761 /nfs/dbraw/zinc/92/77/61/587927761.db2.gz NBQRBJFCCFHFJP-HNNXBMFYSA-N 0 0 244.425 3.990 20 0 BHADRN CCC(C)(C)CC[S@@](=O)c1ccc(C)s1 ZINC000840877976 587927600 /nfs/dbraw/zinc/92/76/00/587927600.db2.gz NBQRBJFCCFHFJP-OAHLLOKOSA-N 0 0 244.425 3.990 20 0 BHADRN CCOc1ccc(N[C@@H](C)c2ccoc2)c(F)c1 ZINC000840894160 587929003 /nfs/dbraw/zinc/92/90/03/587929003.db2.gz OMVHIBSGSNHNDK-JTQLQIEISA-N 0 0 249.285 3.991 20 0 BHADRN CCOc1ccc(N[C@H](C)c2ccoc2)c(F)c1 ZINC000840894162 587928602 /nfs/dbraw/zinc/92/86/02/587928602.db2.gz OMVHIBSGSNHNDK-SNVBAGLBSA-N 0 0 249.285 3.991 20 0 BHADRN CCOc1ccc(N[C@@H](C)c2ccco2)c(F)c1 ZINC000840894332 582997698 /nfs/dbraw/zinc/99/76/98/582997698.db2.gz REYDLCMVUVDLKF-JTQLQIEISA-N 0 0 249.285 3.991 20 0 BHADRN CCOc1ccc(N[C@H](C)c2ccco2)c(F)c1 ZINC000840894334 582997632 /nfs/dbraw/zinc/99/76/32/582997632.db2.gz REYDLCMVUVDLKF-SNVBAGLBSA-N 0 0 249.285 3.991 20 0 BHADRN Cc1occc1CNc1ccc(N(C)C)c(C)c1 ZINC000840909497 587929482 /nfs/dbraw/zinc/92/94/82/587929482.db2.gz SQMICFWPHFTNKY-UHFFFAOYSA-N 0 0 244.338 3.575 20 0 BHADRN COc1cc(C)c(NCc2ccoc2C)cc1F ZINC000840939072 587930492 /nfs/dbraw/zinc/93/04/92/587930492.db2.gz TUZZNEAUXWXCJH-UHFFFAOYSA-N 0 0 249.285 3.656 20 0 BHADRN COc1cc(C)c(NCc2ccoc2C)cc1C ZINC000840940639 587930502 /nfs/dbraw/zinc/93/05/02/587930502.db2.gz IYKAONQNXCCNOF-UHFFFAOYSA-N 0 0 245.322 3.826 20 0 BHADRN CSc1cc(C)ccc1NC[C@H]1CCC=CO1 ZINC000840956007 587931686 /nfs/dbraw/zinc/93/16/86/587931686.db2.gz GPTHBDDRODSZOF-GFCCVEGCSA-N 0 0 249.379 3.822 20 0 BHADRN CSc1cc(C)ccc1NC[C@@H]1CCC=CO1 ZINC000840956008 587931518 /nfs/dbraw/zinc/93/15/18/587931518.db2.gz GPTHBDDRODSZOF-LBPRGKRZSA-N 0 0 249.379 3.822 20 0 BHADRN CCOc1ccc(NCc2occc2C)c(F)c1 ZINC000840975085 635603363 /nfs/dbraw/zinc/60/33/63/635603363.db2.gz CRPZTJRUGNEMSF-UHFFFAOYSA-N 0 0 249.285 3.738 20 0 BHADRN CCOc1ccc(NCc2ccc(C)o2)c(F)c1 ZINC000840977150 583213324 /nfs/dbraw/zinc/21/33/24/583213324.db2.gz SPVJLMNVRDQEEI-UHFFFAOYSA-N 0 0 249.285 3.738 20 0 BHADRN CCOc1ccc(NCc2ccoc2C)c(F)c1 ZINC000840980340 583214748 /nfs/dbraw/zinc/21/47/48/583214748.db2.gz XBXMQKPLDCYAEK-UHFFFAOYSA-N 0 0 249.285 3.738 20 0 BHADRN CC(C)(CC(F)F)C(=O)OC1CCCCC1 ZINC000840999141 587934241 /nfs/dbraw/zinc/93/42/41/587934241.db2.gz CMJMDVSGXZWOSD-UHFFFAOYSA-N 0 0 234.286 3.544 20 0 BHADRN Cc1ccccc1OC(=O)C(C)(C)CC(F)F ZINC000841001896 587934178 /nfs/dbraw/zinc/93/41/78/587934178.db2.gz YMXJAGLQUAIAHW-UHFFFAOYSA-N 0 0 242.265 3.582 20 0 BHADRN Cc1ccc(C(=O)OC2CCCCCC2)nc1C ZINC000841002387 587934599 /nfs/dbraw/zinc/93/45/99/587934599.db2.gz NWUHPVLNGZIZKO-UHFFFAOYSA-N 0 0 247.338 3.578 20 0 BHADRN C[C@@H]1CCC[C@@H](OC(=O)C(C)(C)CC(F)F)C1 ZINC000841003920 587935086 /nfs/dbraw/zinc/93/50/86/587935086.db2.gz HTOQPRIJIVACGI-NXEZZACHSA-N 0 0 248.313 3.790 20 0 BHADRN C[C@H]1CCC[C@H](OC(=O)C(C)(C)CC(F)F)C1 ZINC000841003921 587934572 /nfs/dbraw/zinc/93/45/72/587934572.db2.gz HTOQPRIJIVACGI-UWVGGRQHSA-N 0 0 248.313 3.790 20 0 BHADRN C[C@H]1CCC[C@@H](OC(=O)C(C)(C)CC(F)F)C1 ZINC000841003922 587934956 /nfs/dbraw/zinc/93/49/56/587934956.db2.gz HTOQPRIJIVACGI-VHSXEESVSA-N 0 0 248.313 3.790 20 0 BHADRN C[C@@H]1CCC[C@H](OC(=O)C(C)(C)CC(F)F)C1 ZINC000841003923 587932255 /nfs/dbraw/zinc/93/22/55/587932255.db2.gz HTOQPRIJIVACGI-ZJUUUORDSA-N 0 0 248.313 3.790 20 0 BHADRN CCO/C=C/C(=O)Oc1ccccc1[C@H](C)CC ZINC000841010236 587934730 /nfs/dbraw/zinc/93/47/30/587934730.db2.gz DLCKVVKWRLTUKQ-HCRIHEDKSA-N 0 0 248.322 3.656 20 0 BHADRN CCO/C=C/C(=O)Oc1ccccc1[C@@H](C)CC ZINC000841010237 587934612 /nfs/dbraw/zinc/93/46/12/587934612.db2.gz DLCKVVKWRLTUKQ-IIANPFDCSA-N 0 0 248.322 3.656 20 0 BHADRN CCO/C=C\C(=O)Oc1ccccc1[C@H](C)CC ZINC000841010238 587934598 /nfs/dbraw/zinc/93/45/98/587934598.db2.gz DLCKVVKWRLTUKQ-NLYDNYMLSA-N 0 0 248.322 3.656 20 0 BHADRN CCO/C=C\C(=O)Oc1ccccc1[C@@H](C)CC ZINC000841010239 587935085 /nfs/dbraw/zinc/93/50/85/587935085.db2.gz DLCKVVKWRLTUKQ-WEHUKYGOSA-N 0 0 248.322 3.656 20 0 BHADRN COc1ccc(NC[C@H]2CCC[C@@H](C)C2)cc1N ZINC000841039714 587938583 /nfs/dbraw/zinc/93/85/83/587938583.db2.gz AIUHDAFWKIYLGE-NEPJUHHUSA-N 0 0 248.370 3.516 20 0 BHADRN COc1ccc(NC[C@@H]2CCC[C@H](C)C2)cc1N ZINC000841039715 587938738 /nfs/dbraw/zinc/93/87/38/587938738.db2.gz AIUHDAFWKIYLGE-NWDGAFQWSA-N 0 0 248.370 3.516 20 0 BHADRN COc1ccc(NC[C@H]2CCC[C@H](C)C2)cc1N ZINC000841039716 587938442 /nfs/dbraw/zinc/93/84/42/587938442.db2.gz AIUHDAFWKIYLGE-RYUDHWBXSA-N 0 0 248.370 3.516 20 0 BHADRN COc1ccc(NC[C@@H]2CCC[C@@H](C)C2)cc1N ZINC000841039717 587938537 /nfs/dbraw/zinc/93/85/37/587938537.db2.gz AIUHDAFWKIYLGE-VXGBXAGGSA-N 0 0 248.370 3.516 20 0 BHADRN COc1ccc(NCC2CCCCCC2)cc1N ZINC000841039802 587938324 /nfs/dbraw/zinc/93/83/24/587938324.db2.gz BWWOJCUNEHXBJK-UHFFFAOYSA-N 0 0 248.370 3.660 20 0 BHADRN COc1ccc(NCCC2CCCCC2)cc1N ZINC000841040776 587938260 /nfs/dbraw/zinc/93/82/60/587938260.db2.gz SMTWAROSEGXTBT-UHFFFAOYSA-N 0 0 248.370 3.660 20 0 BHADRN COc1ccc(NC[C@@H]2CCCC[C@H]2C)cc1N ZINC000841040933 587938289 /nfs/dbraw/zinc/93/82/89/587938289.db2.gz WGJHNZGRRNMEPX-NEPJUHHUSA-N 0 0 248.370 3.516 20 0 BHADRN COc1ccc(NC[C@H]2CCCC[C@@H]2C)cc1N ZINC000841040934 587938708 /nfs/dbraw/zinc/93/87/08/587938708.db2.gz WGJHNZGRRNMEPX-NWDGAFQWSA-N 0 0 248.370 3.516 20 0 BHADRN COc1ccc(NC[C@@H]2CCCC[C@@H]2C)cc1N ZINC000841040938 587938543 /nfs/dbraw/zinc/93/85/43/587938543.db2.gz WGJHNZGRRNMEPX-RYUDHWBXSA-N 0 0 248.370 3.516 20 0 BHADRN COc1ccc(NC[C@H]2CCCC[C@H]2C)cc1N ZINC000841040940 587938579 /nfs/dbraw/zinc/93/85/79/587938579.db2.gz WGJHNZGRRNMEPX-VXGBXAGGSA-N 0 0 248.370 3.516 20 0 BHADRN COc1ccc(N[C@H](C)C2CCCCC2)cc1N ZINC000841040970 587938768 /nfs/dbraw/zinc/93/87/68/587938768.db2.gz WNAKZBYVHKKEHT-LLVKDONJSA-N 0 0 248.370 3.658 20 0 BHADRN COc1ccc(N[C@@H](C)C2CCCCC2)cc1N ZINC000841040971 587938386 /nfs/dbraw/zinc/93/83/86/587938386.db2.gz WNAKZBYVHKKEHT-NSHDSACASA-N 0 0 248.370 3.658 20 0 BHADRN Clc1nc(N2CCCCC2)cc2ccccc21 ZINC000841123004 587946984 /nfs/dbraw/zinc/94/69/84/587946984.db2.gz WTHCDZUGRXRFEC-UHFFFAOYSA-N 0 0 246.741 3.879 20 0 BHADRN C[C@H](OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000841163927 583372558 /nfs/dbraw/zinc/37/25/58/583372558.db2.gz LLGYAVJXTAIRAL-PEYYIBSZSA-N 0 0 244.334 3.522 20 0 BHADRN C[C@@H](OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000841163928 583372400 /nfs/dbraw/zinc/37/24/00/583372400.db2.gz LLGYAVJXTAIRAL-XFJVYGCCSA-N 0 0 244.334 3.522 20 0 BHADRN C[C@H](OC(=O)CC1CC1)c1ccc(Cl)cc1 ZINC000841257547 583612574 /nfs/dbraw/zinc/61/25/74/583612574.db2.gz QAPYOWKTRCPDOV-VIFPVBQESA-N 0 0 238.714 3.744 20 0 BHADRN C[C@H](OC(=O)C1=CCC1)c1ccc(Cl)cc1 ZINC000841259001 587950263 /nfs/dbraw/zinc/95/02/63/587950263.db2.gz ZWMNPHGBDYMXPA-VIFPVBQESA-N 0 0 236.698 3.664 20 0 BHADRN CC(C)CC(=O)Oc1ccc(Cl)c(F)c1F ZINC000841310663 587951132 /nfs/dbraw/zinc/95/11/32/587951132.db2.gz HLWFAFYEGNFKHG-UHFFFAOYSA-N 0 0 248.656 3.570 20 0 BHADRN CC[C@H](C)C(=O)Oc1ccc(Cl)c(F)c1F ZINC000841310664 587951011 /nfs/dbraw/zinc/95/10/11/587951011.db2.gz HMMHUTFLZAAVMP-LURJTMIESA-N 0 0 248.656 3.570 20 0 BHADRN CC[C@@H](C)C(=O)Oc1ccc(Cl)c(F)c1F ZINC000841310665 587951222 /nfs/dbraw/zinc/95/12/22/587951222.db2.gz HMMHUTFLZAAVMP-ZCFIWIBFSA-N 0 0 248.656 3.570 20 0 BHADRN CC(C)(C)C(=O)Oc1ccc(Cl)c(F)c1F ZINC000841311600 587951169 /nfs/dbraw/zinc/95/11/69/587951169.db2.gz VTXRIBXTROVJLF-UHFFFAOYSA-N 0 0 248.656 3.570 20 0 BHADRN Cc1ccc(N(C)C(=O)CCCC2CC2)c(F)c1 ZINC000841324511 583785008 /nfs/dbraw/zinc/78/50/08/583785008.db2.gz AAXOXUBOTKOGDX-UHFFFAOYSA-N 0 0 249.329 3.677 20 0 BHADRN Cc1ccc(N(C)C(=O)C2CC(C)(C)C2)c(F)c1 ZINC000841325020 587951651 /nfs/dbraw/zinc/95/16/51/587951651.db2.gz FKZILVGBMWHVDV-UHFFFAOYSA-N 0 0 249.329 3.533 20 0 BHADRN Cc1ccc(N(C)C(=O)C(C)(C)C2CC2)c(F)c1 ZINC000841325629 587951525 /nfs/dbraw/zinc/95/15/25/587951525.db2.gz KKHYXJDRBHUHQV-UHFFFAOYSA-N 0 0 249.329 3.533 20 0 BHADRN CC[C@H](C)CC(=O)N(C)c1ccc(C)cc1F ZINC000841325939 587951560 /nfs/dbraw/zinc/95/15/60/587951560.db2.gz LTPHWJWKCLXLFS-JTQLQIEISA-N 0 0 237.318 3.533 20 0 BHADRN CC[C@@H](C)CC(=O)N(C)c1ccc(C)cc1F ZINC000841325940 587951728 /nfs/dbraw/zinc/95/17/28/587951728.db2.gz LTPHWJWKCLXLFS-SNVBAGLBSA-N 0 0 237.318 3.533 20 0 BHADRN CCC[C@@H]1C[C@H]1C(=O)N(C)c1ccc(C)cc1F ZINC000841326411 587951688 /nfs/dbraw/zinc/95/16/88/587951688.db2.gz QLNDKYBICBACIB-VXGBXAGGSA-N 0 0 249.329 3.533 20 0 BHADRN Cc1ccc(N(C)C(=O)CCC2CCC2)c(F)c1 ZINC000841327142 587951564 /nfs/dbraw/zinc/95/15/64/587951564.db2.gz BXOGYQFGHMLJIL-UHFFFAOYSA-N 0 0 249.329 3.677 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H](C)C2CCC2)c(F)c1 ZINC000841327222 587950872 /nfs/dbraw/zinc/95/08/72/587950872.db2.gz GJONWLJXFXPEBH-LLVKDONJSA-N 0 0 249.329 3.533 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H](C)C2CCC2)c(F)c1 ZINC000841327223 587950999 /nfs/dbraw/zinc/95/09/99/587950999.db2.gz GJONWLJXFXPEBH-NSHDSACASA-N 0 0 249.329 3.533 20 0 BHADRN CCCC1(C(=O)N(C)c2ccc(C)cc2F)CC1 ZINC000841327549 587951739 /nfs/dbraw/zinc/95/17/39/587951739.db2.gz JATUOHZETIPNQR-UHFFFAOYSA-N 0 0 249.329 3.677 20 0 BHADRN CCC1(C(=O)N(C)c2ccc(C)cc2F)CCC1 ZINC000841327788 587951682 /nfs/dbraw/zinc/95/16/82/587951682.db2.gz NLCCGOGBODWAME-UHFFFAOYSA-N 0 0 249.329 3.677 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2CC[C@H](C)C2)c(F)c1 ZINC000841328331 587950923 /nfs/dbraw/zinc/95/09/23/587950923.db2.gz ULXSUVNNKFUFJG-CMPLNLGQSA-N 0 0 249.329 3.533 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2CC[C@H](C)C2)c(F)c1 ZINC000841328332 587950929 /nfs/dbraw/zinc/95/09/29/587950929.db2.gz ULXSUVNNKFUFJG-JQWIXIFHSA-N 0 0 249.329 3.533 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@H]2CC[C@@H](C)C2)c(F)c1 ZINC000841328333 587951087 /nfs/dbraw/zinc/95/10/87/587951087.db2.gz ULXSUVNNKFUFJG-PWSUYJOCSA-N 0 0 249.329 3.533 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@H]2CC[C@@H](C)C2)c(F)c1 ZINC000841328334 587951152 /nfs/dbraw/zinc/95/11/52/587951152.db2.gz ULXSUVNNKFUFJG-ZYHUDNBSSA-N 0 0 249.329 3.533 20 0 BHADRN Cc1ccc(N(C)C(=O)C[C@@H](C)C2CC2)c(F)c1 ZINC000841328627 587951737 /nfs/dbraw/zinc/95/17/37/587951737.db2.gz MRWFUZDGFPTNCG-LLVKDONJSA-N 0 0 249.329 3.533 20 0 BHADRN Cc1ccc(N(C)C(=O)C[C@H](C)C2CC2)c(F)c1 ZINC000841328628 587951527 /nfs/dbraw/zinc/95/15/27/587951527.db2.gz MRWFUZDGFPTNCG-NSHDSACASA-N 0 0 249.329 3.533 20 0 BHADRN CCC(C)(C)C(=O)N(C)c1ccc(C)cc1F ZINC000841328844 587951364 /nfs/dbraw/zinc/95/13/64/587951364.db2.gz RLMRJOCQVWTNPA-UHFFFAOYSA-N 0 0 237.318 3.533 20 0 BHADRN CCC[C@@H](C)C(=O)N(C)c1ccc(C)cc1F ZINC000841329049 587951472 /nfs/dbraw/zinc/95/14/72/587951472.db2.gz DXDUBFLAVAGMNW-LLVKDONJSA-N 0 0 237.318 3.533 20 0 BHADRN CCC[C@H](C)C(=O)N(C)c1ccc(C)cc1F ZINC000841329050 587951576 /nfs/dbraw/zinc/95/15/76/587951576.db2.gz DXDUBFLAVAGMNW-NSHDSACASA-N 0 0 237.318 3.533 20 0 BHADRN CCC(CC)C(=O)N(C)c1ccc(C)cc1F ZINC000841329414 587951735 /nfs/dbraw/zinc/95/17/35/587951735.db2.gz HRKZPTCDKFULSZ-UHFFFAOYSA-N 0 0 237.318 3.533 20 0 BHADRN Cc1ccc(OC(=O)CCC(F)F)cc1Cl ZINC000841331438 583838934 /nfs/dbraw/zinc/83/89/34/583838934.db2.gz MIDUHSYWESBNHT-UHFFFAOYSA-N 0 0 248.656 3.599 20 0 BHADRN Cc1ccc(N(C)C(=O)CCC(C)C)c(F)c1 ZINC000841332099 645207578 /nfs/dbraw/zinc/20/75/78/645207578.db2.gz ZVCWVMIHOBPTED-UHFFFAOYSA-N 0 0 237.318 3.533 20 0 BHADRN Cc1ccc(N(C)C(=O)CC2CCCC2)c(F)c1 ZINC000841332320 645206486 /nfs/dbraw/zinc/20/64/86/645206486.db2.gz QXMDMYJPXJNWNY-UHFFFAOYSA-N 0 0 249.329 3.677 20 0 BHADRN Cc1ccc(OC(=O)C2CC=CC2)cc1Cl ZINC000841332697 645206329 /nfs/dbraw/zinc/20/63/29/645206329.db2.gz UBXQQSDTYJRSHQ-UHFFFAOYSA-N 0 0 236.698 3.520 20 0 BHADRN Cc1ccc(N(C)C(=O)CC(C)(C)C)c(F)c1 ZINC000841332833 645205965 /nfs/dbraw/zinc/20/59/65/645205965.db2.gz UZGPQCRJJHLQIU-UHFFFAOYSA-N 0 0 237.318 3.533 20 0 BHADRN Cc1ccc(OC(=O)[C@H](F)C(C)C)cc1Cl ZINC000841333150 645206802 /nfs/dbraw/zinc/20/68/02/645206802.db2.gz YFJXZCPOYVCEHG-LLVKDONJSA-N 0 0 244.693 3.548 20 0 BHADRN Cc1ccc(OC(=O)[C@@H](F)C(C)C)cc1Cl ZINC000841333151 645207550 /nfs/dbraw/zinc/20/75/50/645207550.db2.gz YFJXZCPOYVCEHG-NSHDSACASA-N 0 0 244.693 3.548 20 0 BHADRN CCCCCC(=O)N(C)c1ccc(C)cc1F ZINC000841333507 645206440 /nfs/dbraw/zinc/20/64/40/645206440.db2.gz ZDTGHQWKCMQOCU-UHFFFAOYSA-N 0 0 237.318 3.677 20 0 BHADRN C/C=C(\C)C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841453755 587955017 /nfs/dbraw/zinc/95/50/17/587955017.db2.gz RFGYQMSDCYFZSX-ACMJRCFVSA-N 0 0 237.387 3.626 20 0 BHADRN C/C=C(/C)C(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841453756 587955512 /nfs/dbraw/zinc/95/55/12/587955512.db2.gz RFGYQMSDCYFZSX-CUOXCHRPSA-N 0 0 237.387 3.626 20 0 BHADRN C/C=C(/C)C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841453757 587955436 /nfs/dbraw/zinc/95/54/36/587955436.db2.gz RFGYQMSDCYFZSX-HGIZFUKPSA-N 0 0 237.387 3.626 20 0 BHADRN C/C=C(\C)C(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841453758 587955300 /nfs/dbraw/zinc/95/53/00/587955300.db2.gz RFGYQMSDCYFZSX-PGJRDNSLSA-N 0 0 237.387 3.626 20 0 BHADRN CC(C)c1cccc(OC(=O)OCCCF)c1 ZINC000841473464 712602604 /nfs/dbraw/zinc/60/26/04/712602604.db2.gz DLXVXGFPKSXHEM-UHFFFAOYSA-N 0 0 240.274 3.685 20 0 BHADRN CC(C)c1ccc(OC(=O)OCCCF)cc1 ZINC000841474314 645211653 /nfs/dbraw/zinc/21/16/53/645211653.db2.gz MBPYBLSLZYDUOG-UHFFFAOYSA-N 0 0 240.274 3.685 20 0 BHADRN Cc1ccc(Cl)c(OC(=O)OCCCF)c1 ZINC000841474800 645213375 /nfs/dbraw/zinc/21/33/75/645213375.db2.gz JRCQKLZNHJNYHE-UHFFFAOYSA-N 0 0 246.665 3.523 20 0 BHADRN Cc1cc(OC(=O)OCCCF)ccc1Cl ZINC000841475661 645213540 /nfs/dbraw/zinc/21/35/40/645213540.db2.gz UPVXUEILNNOMOY-UHFFFAOYSA-N 0 0 246.665 3.523 20 0 BHADRN Cc1cc(Cl)ccc1OC(=O)OCCCF ZINC000841475820 645212770 /nfs/dbraw/zinc/21/27/70/645212770.db2.gz YGOWRSXEWQOISU-UHFFFAOYSA-N 0 0 246.665 3.523 20 0 BHADRN CC(C)c1ccccc1OC(=O)OCCCF ZINC000841475844 645212683 /nfs/dbraw/zinc/21/26/83/645212683.db2.gz YTVPEZLNTMQYDJ-UHFFFAOYSA-N 0 0 240.274 3.685 20 0 BHADRN Cc1cccc(Cl)c1OC(=O)OCCCF ZINC000841491587 587957004 /nfs/dbraw/zinc/95/70/04/587957004.db2.gz MSJSMXZFBIOMNS-UHFFFAOYSA-N 0 0 246.665 3.523 20 0 BHADRN Cc1ccc(OC(=O)OCCCF)c(Cl)c1 ZINC000841495357 587956875 /nfs/dbraw/zinc/95/68/75/587956875.db2.gz KNVFTIIJXOCOCP-UHFFFAOYSA-N 0 0 246.665 3.523 20 0 BHADRN Cc1ccc(Cl)cc1OC(=O)OCCCF ZINC000841496925 587956906 /nfs/dbraw/zinc/95/69/06/587956906.db2.gz DOMCJFMWSIVNJZ-UHFFFAOYSA-N 0 0 246.665 3.523 20 0 BHADRN CCCCCCc1nc2ccc(F)cc2c(=O)[nH]1 ZINC000841498227 587956898 /nfs/dbraw/zinc/95/68/98/587956898.db2.gz MXUFAZWMUXPBJZ-UHFFFAOYSA-N 0 0 248.301 3.597 20 0 BHADRN CCCCCCc1nc2ccc(C)cc2c(=O)[nH]1 ZINC000841498813 587956691 /nfs/dbraw/zinc/95/66/91/587956691.db2.gz WDWITXALNQHHBH-UHFFFAOYSA-N 0 0 244.338 3.767 20 0 BHADRN CCCCCCc1nc2cccc(F)c2c(=O)[nH]1 ZINC000841500972 645215966 /nfs/dbraw/zinc/21/59/66/645215966.db2.gz RZLRGVFVDGWFSG-UHFFFAOYSA-N 0 0 248.301 3.597 20 0 BHADRN CCCc1ccc(OC(=O)OCCCF)cc1 ZINC000841503981 645215669 /nfs/dbraw/zinc/21/56/69/645215669.db2.gz UXFGMUYPIMLGMJ-UHFFFAOYSA-N 0 0 240.274 3.514 20 0 BHADRN Cc1cccc(OC(=O)OCCCF)c1Cl ZINC000841517629 587957389 /nfs/dbraw/zinc/95/73/89/587957389.db2.gz ZURJLMVJZUVCQY-UHFFFAOYSA-N 0 0 246.665 3.523 20 0 BHADRN CCc1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC000841530991 587957681 /nfs/dbraw/zinc/95/76/81/587957681.db2.gz OVAYWAQQXQTPFU-UHFFFAOYSA-N 0 0 235.327 3.620 20 0 BHADRN C[C@H]1C[C@@H]1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000841557935 587958497 /nfs/dbraw/zinc/95/84/97/587958497.db2.gz OGYKBGPAZOGWTM-AAEUAGOBSA-N 0 0 247.338 3.837 20 0 BHADRN C[C@@H]1C[C@H]1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000841557937 587958530 /nfs/dbraw/zinc/95/85/30/587958530.db2.gz OGYKBGPAZOGWTM-DGCLKSJQSA-N 0 0 247.338 3.837 20 0 BHADRN C[C@H]1C[C@H]1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000841557938 587958753 /nfs/dbraw/zinc/95/87/53/587958753.db2.gz OGYKBGPAZOGWTM-WCQYABFASA-N 0 0 247.338 3.837 20 0 BHADRN C[C@@H]1C[C@@H]1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000841557939 587958526 /nfs/dbraw/zinc/95/85/26/587958526.db2.gz OGYKBGPAZOGWTM-YPMHNXCESA-N 0 0 247.338 3.837 20 0 BHADRN C[C@@H]1C[C@H]1N(C(=O)OC1CCC1)c1ccccc1 ZINC000841558936 587958644 /nfs/dbraw/zinc/95/86/44/587958644.db2.gz XYXMRJHZTAEWSZ-BXUZGUMPSA-N 0 0 245.322 3.591 20 0 BHADRN C[C@H]1C[C@@H]1N(C(=O)OC1CCC1)c1ccccc1 ZINC000841558940 587958794 /nfs/dbraw/zinc/95/87/94/587958794.db2.gz XYXMRJHZTAEWSZ-FZMZJTMJSA-N 0 0 245.322 3.591 20 0 BHADRN C[C@@H]1C[C@@H]1N(C(=O)OC1CCC1)c1ccccc1 ZINC000841558944 587958779 /nfs/dbraw/zinc/95/87/79/587958779.db2.gz XYXMRJHZTAEWSZ-RISCZKNCSA-N 0 0 245.322 3.591 20 0 BHADRN C[C@H]1C[C@H]1N(C(=O)OC1CCC1)c1ccccc1 ZINC000841558949 587958801 /nfs/dbraw/zinc/95/88/01/587958801.db2.gz XYXMRJHZTAEWSZ-SMDDNHRTSA-N 0 0 245.322 3.591 20 0 BHADRN Cc1ccc(OC(=O)OCC2CC2)cc1Cl ZINC000841559611 585337921 /nfs/dbraw/zinc/33/79/21/585337921.db2.gz CXRNBEVXOTUUHY-UHFFFAOYSA-N 0 0 240.686 3.574 20 0 BHADRN Cc1ccc(OC(=O)OC(C)(C)C)cc1Cl ZINC000841561431 587958747 /nfs/dbraw/zinc/95/87/47/587958747.db2.gz OJEGRGHMFVBQTR-UHFFFAOYSA-N 0 0 242.702 3.962 20 0 BHADRN Cc1ccc(OC(=O)OC2CCC2)cc1Cl ZINC000841562591 587958586 /nfs/dbraw/zinc/95/85/86/587958586.db2.gz CMNQTKAWVAQGGX-UHFFFAOYSA-N 0 0 240.686 3.716 20 0 BHADRN Cc1ccc(OC(=O)OCCCF)cc1Cl ZINC000841563199 587958638 /nfs/dbraw/zinc/95/86/38/587958638.db2.gz TYPKCDQVWRBNEC-UHFFFAOYSA-N 0 0 246.665 3.523 20 0 BHADRN CO[C@H](CSc1nc(C)cs1)CC(C)C ZINC000841667253 583171779 /nfs/dbraw/zinc/17/17/79/583171779.db2.gz OBSVQNJQNBEYJD-JTQLQIEISA-N 0 0 245.413 3.605 20 0 BHADRN CO[C@@H](CSc1nc(C)cs1)CC(C)C ZINC000841667254 583171648 /nfs/dbraw/zinc/17/16/48/583171648.db2.gz OBSVQNJQNBEYJD-SNVBAGLBSA-N 0 0 245.413 3.605 20 0 BHADRN CCOc1ccc(SC[C@@H](CC)OC)cc1 ZINC000841669321 587971153 /nfs/dbraw/zinc/97/11/53/587971153.db2.gz RMTTXYWFWXRHMR-LLVKDONJSA-N 0 0 240.368 3.602 20 0 BHADRN CCOc1ccc(SC[C@H](CC)OC)cc1 ZINC000841669324 587971376 /nfs/dbraw/zinc/97/13/76/587971376.db2.gz RMTTXYWFWXRHMR-NSHDSACASA-N 0 0 240.368 3.602 20 0 BHADRN CC[C@@H](CSCCSC(C)(C)C)OC ZINC000841670233 587971419 /nfs/dbraw/zinc/97/14/19/587971419.db2.gz DTAHNPSJCRKKMZ-JTQLQIEISA-N 0 0 236.446 3.676 20 0 BHADRN CC[C@H](CSCCSC(C)(C)C)OC ZINC000841670236 587971176 /nfs/dbraw/zinc/97/11/76/587971176.db2.gz DTAHNPSJCRKKMZ-SNVBAGLBSA-N 0 0 236.446 3.676 20 0 BHADRN CC[C@H](CS[C@H](C)c1cccs1)OC ZINC000841670846 587971136 /nfs/dbraw/zinc/97/11/36/587971136.db2.gz WJUCIIBNTBGHBH-NXEZZACHSA-N 0 0 230.398 3.967 20 0 BHADRN CC[C@@H](CS[C@@H](C)c1cccs1)OC ZINC000841670847 587971422 /nfs/dbraw/zinc/97/14/22/587971422.db2.gz WJUCIIBNTBGHBH-UWVGGRQHSA-N 0 0 230.398 3.967 20 0 BHADRN CC[C@H](CS[C@@H](C)c1cccs1)OC ZINC000841670848 587971266 /nfs/dbraw/zinc/97/12/66/587971266.db2.gz WJUCIIBNTBGHBH-VHSXEESVSA-N 0 0 230.398 3.967 20 0 BHADRN CC[C@@H](CS[C@H](C)c1cccs1)OC ZINC000841670849 587971478 /nfs/dbraw/zinc/97/14/78/587971478.db2.gz WJUCIIBNTBGHBH-ZJUUUORDSA-N 0 0 230.398 3.967 20 0 BHADRN C/C(=C\Cl)CSCCOCC1CCC1 ZINC000841671394 587971120 /nfs/dbraw/zinc/97/11/20/587971120.db2.gz GCXZVSMQXYJVJV-JXMROGBWSA-N 0 0 234.792 3.679 20 0 BHADRN C/C(=C/Cl)CSCCOCC1CCC1 ZINC000841671398 587971209 /nfs/dbraw/zinc/97/12/09/587971209.db2.gz GCXZVSMQXYJVJV-YFHOEESVSA-N 0 0 234.792 3.679 20 0 BHADRN CCSCCSC[C@@H](CC(C)C)OC ZINC000841671569 587971451 /nfs/dbraw/zinc/97/14/51/587971451.db2.gz HNOBVMGJXKLGJS-LLVKDONJSA-N 0 0 236.446 3.534 20 0 BHADRN CCSCCSC[C@H](CC(C)C)OC ZINC000841671580 587971178 /nfs/dbraw/zinc/97/11/78/587971178.db2.gz HNOBVMGJXKLGJS-NSHDSACASA-N 0 0 236.446 3.534 20 0 BHADRN CC[C@@H](CSC(C)(C)C(C)C)OC ZINC000841672293 587971467 /nfs/dbraw/zinc/97/14/67/587971467.db2.gz YUVUYHQFLDMXIA-JTQLQIEISA-N 0 0 204.379 3.579 20 0 BHADRN CC[C@H](CSC(C)(C)C(C)C)OC ZINC000841672294 587971229 /nfs/dbraw/zinc/97/12/29/587971229.db2.gz YUVUYHQFLDMXIA-SNVBAGLBSA-N 0 0 204.379 3.579 20 0 BHADRN CCSCOc1cc(Cl)ccc1C(C)=O ZINC000841672444 587971437 /nfs/dbraw/zinc/97/14/37/587971437.db2.gz FCCQTIPAWWFURN-UHFFFAOYSA-N 0 0 244.743 3.632 20 0 BHADRN CC[C@H](CSc1ccc(C)s1)OC ZINC000841673666 587971327 /nfs/dbraw/zinc/97/13/27/587971327.db2.gz ZDURVMBRDAGLGJ-SECBINFHSA-N 0 0 216.371 3.574 20 0 BHADRN CC[C@@H](CSc1ccc(C)s1)OC ZINC000841673667 587971131 /nfs/dbraw/zinc/97/11/31/587971131.db2.gz ZDURVMBRDAGLGJ-VIFPVBQESA-N 0 0 216.371 3.574 20 0 BHADRN CCCCNc1ccc(OC)c(SC)c1 ZINC000841697744 583207609 /nfs/dbraw/zinc/20/76/09/583207609.db2.gz AAURPTISIMNWCB-UHFFFAOYSA-N 0 0 225.357 3.629 20 0 BHADRN C=COc1ccc(NCC2CC(F)(F)C2)cc1 ZINC000841697805 645226864 /nfs/dbraw/zinc/22/68/64/645226864.db2.gz ANMNQFUQEGAUNZ-UHFFFAOYSA-N 0 0 239.265 3.666 20 0 BHADRN C=COc1ccc(NCCC(F)(F)F)cc1 ZINC000841698799 645225903 /nfs/dbraw/zinc/22/59/03/645225903.db2.gz GZAOFKJKIXMBEN-UHFFFAOYSA-N 0 0 231.217 3.573 20 0 BHADRN COc1ccc(NCC2CCC2)cc1SC ZINC000841699167 645226623 /nfs/dbraw/zinc/22/66/23/645226623.db2.gz MRZXGMLLKVIXCF-UHFFFAOYSA-N 0 0 237.368 3.629 20 0 BHADRN COc1ccc(NCCCCF)cc1SC ZINC000841699627 645226679 /nfs/dbraw/zinc/22/66/79/645226679.db2.gz KDSYHVFIOKMTPF-UHFFFAOYSA-N 0 0 243.347 3.579 20 0 BHADRN CSc1cc(C)ccc1NC/C=C\Cl ZINC000841701584 587972569 /nfs/dbraw/zinc/97/25/69/587972569.db2.gz RQDAEVHQMXKGBU-UTCJRWHESA-N 0 0 227.760 3.881 20 0 BHADRN CSc1cc(C)ccc1NC/C=C/Cl ZINC000841701585 587972870 /nfs/dbraw/zinc/97/28/70/587972870.db2.gz RQDAEVHQMXKGBU-ZZXKWVIFSA-N 0 0 227.760 3.881 20 0 BHADRN CC(C)Nc1ccc2ccnc(Cl)c2c1 ZINC000841706698 587972679 /nfs/dbraw/zinc/97/26/79/587972679.db2.gz ISQSYNAGQAELFT-UHFFFAOYSA-N 0 0 220.703 3.709 20 0 BHADRN Clc1nccc2ccc(NCC3CC3)cc21 ZINC000841707393 587972573 /nfs/dbraw/zinc/97/25/73/587972573.db2.gz RDUSDJIWBBINMS-UHFFFAOYSA-N 0 0 232.714 3.710 20 0 BHADRN COc1cccc(SC)c1NC/C=C\Cl ZINC000841707619 587972545 /nfs/dbraw/zinc/97/25/45/587972545.db2.gz YASGTYGMQDOXDG-DAXSKMNVSA-N 0 0 243.759 3.582 20 0 BHADRN COc1cccc(SC)c1NC/C=C/Cl ZINC000841707623 587972463 /nfs/dbraw/zinc/97/24/63/587972463.db2.gz YASGTYGMQDOXDG-QPJJXVBHSA-N 0 0 243.759 3.582 20 0 BHADRN CCCCCCO[C@@H](C)c1nc(C2CC2)no1 ZINC000841732352 587973064 /nfs/dbraw/zinc/97/30/64/587973064.db2.gz RWGKXSCXOQRKCX-JTQLQIEISA-N 0 0 238.331 3.605 20 0 BHADRN CCCCCCO[C@H](C)c1nc(C2CC2)no1 ZINC000841732356 587973337 /nfs/dbraw/zinc/97/33/37/587973337.db2.gz RWGKXSCXOQRKCX-SNVBAGLBSA-N 0 0 238.331 3.605 20 0 BHADRN Cc1cccc(-c2nc(CC(C)C)no2)c1C ZINC000841734378 645227698 /nfs/dbraw/zinc/22/76/98/645227698.db2.gz KVYHYLBKAJMODF-UHFFFAOYSA-N 0 0 230.311 3.552 20 0 BHADRN CSc1ccccc1-c1nc(CC(C)C)no1 ZINC000841735828 645228718 /nfs/dbraw/zinc/22/87/18/645228718.db2.gz VXWFAPPZAQGDGO-UHFFFAOYSA-N 0 0 248.351 3.657 20 0 BHADRN CC(c1nc(CC(C)C)no1)=C1CCCC1 ZINC000841735838 645229246 /nfs/dbraw/zinc/22/92/46/645229246.db2.gz WAOUUQDSRPECBP-UHFFFAOYSA-N 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BHADRN C[C@H](COC(=O)C1CCCCCC1)CC(F)F ZINC000842437463 588025967 /nfs/dbraw/zinc/02/59/67/588025967.db2.gz RIGMAZXDCOSPJO-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN C[C@@H](COC(=O)C1CCCCCC1)CC(F)F ZINC000842437465 588025915 /nfs/dbraw/zinc/02/59/15/588025915.db2.gz RIGMAZXDCOSPJO-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN CC(C(=O)OC[C@H](C)CC(F)F)=C1CCCC1 ZINC000842437550 588025872 /nfs/dbraw/zinc/02/58/72/588025872.db2.gz ILWGJOMLAPCILD-SECBINFHSA-N 0 0 246.297 3.711 20 0 BHADRN CC(C(=O)OC[C@@H](C)CC(F)F)=C1CCCC1 ZINC000842437551 588025907 /nfs/dbraw/zinc/02/59/07/588025907.db2.gz ILWGJOMLAPCILD-VIFPVBQESA-N 0 0 246.297 3.711 20 0 BHADRN CCCCCCC(=O)OC[C@@H](C)CC(F)F ZINC000842437592 588026066 /nfs/dbraw/zinc/02/60/66/588026066.db2.gz AWZCZTVAQRNGGU-JTQLQIEISA-N 0 0 236.302 3.791 20 0 BHADRN CCCCCCC(=O)OC[C@H](C)CC(F)F ZINC000842437594 588026116 /nfs/dbraw/zinc/02/61/16/588026116.db2.gz AWZCZTVAQRNGGU-SNVBAGLBSA-N 0 0 236.302 3.791 20 0 BHADRN C[C@@H](COC(=O)[C@@H]1CCC(C)(C)C1)CC(F)F 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SUETZVKLAYQQNY-UHFFFAOYSA-N 0 0 230.336 3.722 20 0 BHADRN c1cc2ccc(OCC3=CCCC3)cc2[nH]1 ZINC000842650723 588048998 /nfs/dbraw/zinc/04/89/98/588048998.db2.gz SEEKIPDPBACQLA-UHFFFAOYSA-N 0 0 213.280 3.657 20 0 BHADRN CSCCSc1nccc2ccccc21 ZINC000842651091 588049336 /nfs/dbraw/zinc/04/93/36/588049336.db2.gz FNLNDAHHGYAUHE-UHFFFAOYSA-N 0 0 235.377 3.690 20 0 BHADRN Cc1cnc(COc2cccc3c2CCC3)s1 ZINC000842652447 588049604 /nfs/dbraw/zinc/04/96/04/588049604.db2.gz QPHQQICIUZRMHU-UHFFFAOYSA-N 0 0 245.347 3.519 20 0 BHADRN c1ccc2c(c1)ccnc2SCOC1CCC1 ZINC000842652971 588049262 /nfs/dbraw/zinc/04/92/62/588049262.db2.gz DWHXFUCDKXEMRT-UHFFFAOYSA-N 0 0 245.347 3.854 20 0 BHADRN CC(C)c1cnn(Cc2ccc(CF)cc2)c1 ZINC000842655155 588050397 /nfs/dbraw/zinc/05/03/97/588050397.db2.gz JNKGMPXEPSNBMB-UHFFFAOYSA-N 0 0 232.302 3.524 20 0 BHADRN CC(C)c1cnn(CC[C@H]2CC2(Cl)Cl)c1 ZINC000842662851 588050706 /nfs/dbraw/zinc/05/07/06/588050706.db2.gz WVEWVTIRBSPHHA-JTQLQIEISA-N 0 0 247.169 3.590 20 0 BHADRN CC(C)c1cnn(CC[C@@H]2CC2(Cl)Cl)c1 ZINC000842662852 588050571 /nfs/dbraw/zinc/05/05/71/588050571.db2.gz WVEWVTIRBSPHHA-SNVBAGLBSA-N 0 0 247.169 3.590 20 0 BHADRN CC(C)c1cnn(CCSC(C)(C)C)c1 ZINC000842663219 588050641 /nfs/dbraw/zinc/05/06/41/588050641.db2.gz XYJBJOQAXURDIK-UHFFFAOYSA-N 0 0 226.389 3.538 20 0 BHADRN Cc1ccc(C(C)C)c(OC(=O)C2(F)CC2)c1 ZINC000842678224 588051626 /nfs/dbraw/zinc/05/16/26/588051626.db2.gz ANZWYDRHVOABEK-UHFFFAOYSA-N 0 0 236.286 3.526 20 0 BHADRN CC[C@H](C)c1ccccc1OC(=O)C1(F)CC1 ZINC000842679194 588051944 /nfs/dbraw/zinc/05/19/44/588051944.db2.gz CVYOMGHUKNVXOI-JTQLQIEISA-N 0 0 236.286 3.608 20 0 BHADRN CC[C@@H](C)c1ccccc1OC(=O)C1(F)CC1 ZINC000842679195 588051818 /nfs/dbraw/zinc/05/18/18/588051818.db2.gz CVYOMGHUKNVXOI-SNVBAGLBSA-N 0 0 236.286 3.608 20 0 BHADRN Cc1cc(OC(=O)C2(F)CC2)ccc1C(C)C ZINC000842679278 588051557 /nfs/dbraw/zinc/05/15/57/588051557.db2.gz KVXMRAWBPHRJFE-UHFFFAOYSA-N 0 0 236.286 3.526 20 0 BHADRN Cc1ccc(C(C)C)cc1OC(=O)C1(F)CC1 ZINC000842680721 588050743 /nfs/dbraw/zinc/05/07/43/588050743.db2.gz XECBKYBSTCFZHF-UHFFFAOYSA-N 0 0 236.286 3.526 20 0 BHADRN CC[C@H](C)c1ccc(OC(=O)C2(F)CC2)cc1 ZINC000842680766 588052030 /nfs/dbraw/zinc/05/20/30/588052030.db2.gz YNEJCRKDJHESLL-JTQLQIEISA-N 0 0 236.286 3.608 20 0 BHADRN CC[C@@H](C)c1ccc(OC(=O)C2(F)CC2)cc1 ZINC000842680767 588052358 /nfs/dbraw/zinc/05/23/58/588052358.db2.gz YNEJCRKDJHESLL-SNVBAGLBSA-N 0 0 236.286 3.608 20 0 BHADRN CCC[C@@H](OC(=O)C1(F)CC1)c1ccccc1 ZINC000842703729 588054656 /nfs/dbraw/zinc/05/46/56/588054656.db2.gz WUZVVBNGYSJUQN-GFCCVEGCSA-N 0 0 236.286 3.573 20 0 BHADRN CCC[C@H](OC(=O)C1(F)CC1)c1ccccc1 ZINC000842703730 588054329 /nfs/dbraw/zinc/05/43/29/588054329.db2.gz WUZVVBNGYSJUQN-LBPRGKRZSA-N 0 0 236.286 3.573 20 0 BHADRN Clc1ccccc1C1(NCc2ccoc2)CC1 ZINC000842725224 588055927 /nfs/dbraw/zinc/05/59/27/588055927.db2.gz UHIZOTWERBZCRK-UHFFFAOYSA-N 0 0 247.725 3.712 20 0 BHADRN CC1=C(C)C[C@H](C(=O)OC2(C3CC3)CC2)CC1 ZINC000842725893 588055737 /nfs/dbraw/zinc/05/57/37/588055737.db2.gz OEMJMAHCXFPJCV-GFCCVEGCSA-N 0 0 234.339 3.609 20 0 BHADRN CC1=C(C)C[C@@H](C(=O)OC2(C3CC3)CC2)CC1 ZINC000842725894 588055887 /nfs/dbraw/zinc/05/58/87/588055887.db2.gz OEMJMAHCXFPJCV-LBPRGKRZSA-N 0 0 234.339 3.609 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)C1(F)CC1 ZINC000842746004 587351826 /nfs/dbraw/zinc/35/18/26/587351826.db2.gz JDSBPFNGBVOUFW-CMPLNLGQSA-N 0 0 248.297 3.589 20 0 BHADRN Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)C1(F)CC1 ZINC000842746008 587351522 /nfs/dbraw/zinc/35/15/22/587351522.db2.gz JDSBPFNGBVOUFW-JQWIXIFHSA-N 0 0 248.297 3.589 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)C1(F)CC1 ZINC000842746013 587351513 /nfs/dbraw/zinc/35/15/13/587351513.db2.gz JDSBPFNGBVOUFW-PWSUYJOCSA-N 0 0 248.297 3.589 20 0 BHADRN Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)C1(F)CC1 ZINC000842746041 587351523 /nfs/dbraw/zinc/35/15/23/587351523.db2.gz JDSBPFNGBVOUFW-ZYHUDNBSSA-N 0 0 248.297 3.589 20 0 BHADRN Cc1cccc(C2([NH2+]Cc3ccoc3)CCC2)c1 ZINC000842748313 588059089 /nfs/dbraw/zinc/05/90/89/588059089.db2.gz ZNIKYULTOWQJLC-UHFFFAOYSA-N 0 0 241.334 3.757 20 0 BHADRN Cc1cc(CNc2n[nH]c(C(C)C)c2C)c(C)o1 ZINC000842750156 588059032 /nfs/dbraw/zinc/05/90/32/588059032.db2.gz WLRHNGIEMCRFFC-UHFFFAOYSA-N 0 0 247.342 3.663 20 0 BHADRN Cc1cccc(OC(=O)C2CC3(CCC3)C2)c1F ZINC000842753073 588059396 /nfs/dbraw/zinc/05/93/96/588059396.db2.gz AZMURILPAGXZCE-UHFFFAOYSA-N 0 0 248.297 3.620 20 0 BHADRN C[C@H](OC(=O)C1(F)CC1)c1cc2ccccc2o1 ZINC000842771288 588061774 /nfs/dbraw/zinc/06/17/74/588061774.db2.gz IIPFDXIVJHSKDN-VIFPVBQESA-N 0 0 248.253 3.539 20 0 BHADRN O=C(OCCCCCCF)C1CC2(CCC2)C1 ZINC000842798862 588064638 /nfs/dbraw/zinc/06/46/38/588064638.db2.gz CLRBZUULPIYZNS-UHFFFAOYSA-N 0 0 242.334 3.640 20 0 BHADRN CC1=C(C)C[C@H](C(=O)OC2CC3(CC3)C2)CC1 ZINC000842810977 585050149 /nfs/dbraw/zinc/05/01/49/585050149.db2.gz LYWRXHMLQZVKNC-GFCCVEGCSA-N 0 0 234.339 3.609 20 0 BHADRN CC1=C(C)C[C@@H](C(=O)OC2CC3(CC3)C2)CC1 ZINC000842810978 585050169 /nfs/dbraw/zinc/05/01/69/585050169.db2.gz LYWRXHMLQZVKNC-LBPRGKRZSA-N 0 0 234.339 3.609 20 0 BHADRN C/C=C(\C)COC(=O)c1ccc(C(C)(C)C)cn1 ZINC000842843790 588067909 /nfs/dbraw/zinc/06/79/09/588067909.db2.gz DKGDGEQLNVNPRL-IZZDOVSWSA-N 0 0 247.338 3.502 20 0 BHADRN C/C=C(/C)COC(=O)c1ccc(C(C)(C)C)cn1 ZINC000842843791 588067797 /nfs/dbraw/zinc/06/77/97/588067797.db2.gz DKGDGEQLNVNPRL-WDZFZDKYSA-N 0 0 247.338 3.502 20 0 BHADRN C/C=C(/C)COC(=O)c1sccc1Cl ZINC000842845611 588068516 /nfs/dbraw/zinc/06/85/16/588068516.db2.gz JSPRNOLSIKUZJJ-CLTKARDFSA-N 0 0 230.716 3.525 20 0 BHADRN C/C=C(\C)COC(=O)c1sccc1Cl ZINC000842845613 588068615 /nfs/dbraw/zinc/06/86/15/588068615.db2.gz JSPRNOLSIKUZJJ-XVNBXDOJSA-N 0 0 230.716 3.525 20 0 BHADRN C/C=C(\C)COC(=O)C(C)(C)c1cccs1 ZINC000842847996 588069529 /nfs/dbraw/zinc/06/95/29/588069529.db2.gz OKGABBMZCFBSJK-BJMVGYQFSA-N 0 0 238.352 3.535 20 0 BHADRN C/C=C(/C)COC(=O)C(C)(C)c1cccs1 ZINC000842847997 588069761 /nfs/dbraw/zinc/06/97/61/588069761.db2.gz OKGABBMZCFBSJK-YHYXMXQVSA-N 0 0 238.352 3.535 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ncc[nH]2)c(Cl)c1C ZINC000842892361 588070999 /nfs/dbraw/zinc/07/09/99/588070999.db2.gz BVEBKDOGWCBRPT-JTQLQIEISA-N 0 0 249.745 3.853 20 0 BHADRN Cc1ccc(N[C@H](C)c2ncc[nH]2)c(Cl)c1C ZINC000842892365 588070911 /nfs/dbraw/zinc/07/09/11/588070911.db2.gz BVEBKDOGWCBRPT-SNVBAGLBSA-N 0 0 249.745 3.853 20 0 BHADRN C[C@@H](COC(=O)CC(C)(C)C)CC(F)(F)F ZINC000842946084 588072801 /nfs/dbraw/zinc/07/28/01/588072801.db2.gz MEWTYXSWKFMRBF-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN C[C@H](COC(=O)CC(C)(C)C)CC(F)(F)F ZINC000842946099 588072873 /nfs/dbraw/zinc/07/28/73/588072873.db2.gz MEWTYXSWKFMRBF-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCCCCC(=O)OC[C@H](C)CC(F)(F)F ZINC000842946918 588072782 /nfs/dbraw/zinc/07/27/82/588072782.db2.gz QCIZUWJASRJYSQ-SECBINFHSA-N 0 0 240.265 3.698 20 0 BHADRN CCCCCC(=O)OC[C@@H](C)CC(F)(F)F ZINC000842946919 588072869 /nfs/dbraw/zinc/07/28/69/588072869.db2.gz QCIZUWJASRJYSQ-VIFPVBQESA-N 0 0 240.265 3.698 20 0 BHADRN CC(C)CCC(=O)OC[C@H](C)CC(F)(F)F ZINC000842947394 588072865 /nfs/dbraw/zinc/07/28/65/588072865.db2.gz HNEQCEIGVJRLNN-SECBINFHSA-N 0 0 240.265 3.554 20 0 BHADRN CC(C)CCC(=O)OC[C@@H](C)CC(F)(F)F ZINC000842947396 588073011 /nfs/dbraw/zinc/07/30/11/588073011.db2.gz HNEQCEIGVJRLNN-VIFPVBQESA-N 0 0 240.265 3.554 20 0 BHADRN CCC(CC)C(=O)OC[C@H](C)CC(F)(F)F ZINC000842947452 588072642 /nfs/dbraw/zinc/07/26/42/588072642.db2.gz HZSNXGOLXZDWIE-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(CC)C(=O)OC[C@@H](C)CC(F)(F)F ZINC000842947454 588072971 /nfs/dbraw/zinc/07/29/71/588072971.db2.gz HZSNXGOLXZDWIE-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(C)(C)C(=O)OC[C@H](C)CC(F)(F)F ZINC000842950523 588073466 /nfs/dbraw/zinc/07/34/66/588073466.db2.gz PZHBEGXCSQEPDR-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN CCC(C)(C)C(=O)OC[C@@H](C)CC(F)(F)F ZINC000842950524 588073116 /nfs/dbraw/zinc/07/31/16/588073116.db2.gz PZHBEGXCSQEPDR-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@H](C)C(=O)OC[C@H](C)CC(F)(F)F ZINC000842950660 588073048 /nfs/dbraw/zinc/07/30/48/588073048.db2.gz IOPTXKATODVOCC-BDAKNGLRSA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@@H](C)C(=O)OC[C@@H](C)CC(F)(F)F ZINC000842950662 588073069 /nfs/dbraw/zinc/07/30/69/588073069.db2.gz IOPTXKATODVOCC-DTWKUNHWSA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@H](C)C(=O)OC[C@@H](C)CC(F)(F)F ZINC000842950663 588073393 /nfs/dbraw/zinc/07/33/93/588073393.db2.gz IOPTXKATODVOCC-IUCAKERBSA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@@H](C)C(=O)OC[C@H](C)CC(F)(F)F ZINC000842950665 588073340 /nfs/dbraw/zinc/07/33/40/588073340.db2.gz IOPTXKATODVOCC-RKDXNWHRSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@@H](C)CC(=O)OC[C@@H](C)CC(F)(F)F ZINC000842951871 588073326 /nfs/dbraw/zinc/07/33/26/588073326.db2.gz GXNKCNXYHHLAAS-BDAKNGLRSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@H](C)CC(=O)OC[C@H](C)CC(F)(F)F ZINC000842951872 588073190 /nfs/dbraw/zinc/07/31/90/588073190.db2.gz GXNKCNXYHHLAAS-DTWKUNHWSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@H](C)CC(=O)OC[C@@H](C)CC(F)(F)F ZINC000842951873 588073309 /nfs/dbraw/zinc/07/33/09/588073309.db2.gz GXNKCNXYHHLAAS-IUCAKERBSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@@H](C)CC(=O)OC[C@H](C)CC(F)(F)F ZINC000842951874 588073296 /nfs/dbraw/zinc/07/32/96/588073296.db2.gz GXNKCNXYHHLAAS-RKDXNWHRSA-N 0 0 240.265 3.554 20 0 BHADRN C[C@H](c1noc(C2(C(F)F)CC2)n1)C(C)(C)C ZINC000842967180 588073547 /nfs/dbraw/zinc/07/35/47/588073547.db2.gz XUECHVNQXXYIHM-SSDOTTSWSA-N 0 0 244.285 3.516 20 0 BHADRN C[C@@H](c1noc(C2(C(F)F)CC2)n1)C(C)(C)C ZINC000842967182 588073697 /nfs/dbraw/zinc/07/36/97/588073697.db2.gz XUECHVNQXXYIHM-ZETCQYMHSA-N 0 0 244.285 3.516 20 0 BHADRN FC1(c2nc(C3CCCCCCC3)no2)CC1 ZINC000842980176 588074272 /nfs/dbraw/zinc/07/42/72/588074272.db2.gz MRAFFILWQNTENX-UHFFFAOYSA-N 0 0 238.306 3.856 20 0 BHADRN CC[C@@H](COC(=O)C(C)(C)C)CC(F)(F)F ZINC000843006318 588074851 /nfs/dbraw/zinc/07/48/51/588074851.db2.gz HWVJCWVJMZXNGC-MRVPVSSYSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@H](COC(=O)C(C)(C)C)CC(F)(F)F ZINC000843006319 588074929 /nfs/dbraw/zinc/07/49/29/588074929.db2.gz HWVJCWVJMZXNGC-QMMMGPOBSA-N 0 0 240.265 3.554 20 0 BHADRN CCCCC(=O)OC[C@H](CC)CC(F)(F)F ZINC000843006337 588074943 /nfs/dbraw/zinc/07/49/43/588074943.db2.gz IDTFDORPPZESRF-SECBINFHSA-N 0 0 240.265 3.698 20 0 BHADRN CCCCC(=O)OC[C@@H](CC)CC(F)(F)F ZINC000843006338 588075089 /nfs/dbraw/zinc/07/50/89/588075089.db2.gz IDTFDORPPZESRF-VIFPVBQESA-N 0 0 240.265 3.698 20 0 BHADRN CC[C@@H](C)C(=O)OC[C@@H](CC)CC(F)(F)F ZINC000843006491 588074980 /nfs/dbraw/zinc/07/49/80/588074980.db2.gz JMRIJKZCICQUNX-BDAKNGLRSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@@H](COC(=O)[C@@H](C)CC)CC(F)(F)F ZINC000843006494 588074903 /nfs/dbraw/zinc/07/49/03/588074903.db2.gz JMRIJKZCICQUNX-DTWKUNHWSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@H](C)C(=O)OC[C@@H](CC)CC(F)(F)F ZINC000843006496 588074983 /nfs/dbraw/zinc/07/49/83/588074983.db2.gz JMRIJKZCICQUNX-IUCAKERBSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@@H](C)C(=O)OC[C@H](CC)CC(F)(F)F ZINC000843006499 588074759 /nfs/dbraw/zinc/07/47/59/588074759.db2.gz JMRIJKZCICQUNX-RKDXNWHRSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@@H](COC(=O)CC(C)C)CC(F)(F)F ZINC000843006804 588075042 /nfs/dbraw/zinc/07/50/42/588075042.db2.gz GSLVISVRZJFFRW-SECBINFHSA-N 0 0 240.265 3.554 20 0 BHADRN CC[C@H](COC(=O)CC(C)C)CC(F)(F)F ZINC000843006805 588074738 /nfs/dbraw/zinc/07/47/38/588074738.db2.gz GSLVISVRZJFFRW-VIFPVBQESA-N 0 0 240.265 3.554 20 0 BHADRN CCC[C@@H](C)c1noc(CNc2ccccc2)n1 ZINC000843181704 631246147 /nfs/dbraw/zinc/24/61/47/631246147.db2.gz GQSLBTIRHYHGHJ-LLVKDONJSA-N 0 0 245.326 3.585 20 0 BHADRN CCC[C@H](C)c1noc(CNc2ccccc2)n1 ZINC000843181705 631247251 /nfs/dbraw/zinc/24/72/51/631247251.db2.gz GQSLBTIRHYHGHJ-NSHDSACASA-N 0 0 245.326 3.585 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccc(N)c(C)c2)n1 ZINC000843181858 588090015 /nfs/dbraw/zinc/09/00/15/588090015.db2.gz IOHVWIWIEDVUIQ-SECBINFHSA-N 0 0 245.326 3.531 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccc(N)c(C)c2)n1 ZINC000843181859 588089802 /nfs/dbraw/zinc/08/98/02/588089802.db2.gz IOHVWIWIEDVUIQ-VIFPVBQESA-N 0 0 245.326 3.531 20 0 BHADRN CCC[C@H](C)c1noc(-c2ccc(C)c(N)c2)n1 ZINC000843182197 588090806 /nfs/dbraw/zinc/09/08/06/588090806.db2.gz LEYMEONXBOCYMQ-JTQLQIEISA-N 0 0 245.326 3.531 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ccc(C)c(N)c2)n1 ZINC000843182199 588090389 /nfs/dbraw/zinc/09/03/89/588090389.db2.gz LEYMEONXBOCYMQ-SNVBAGLBSA-N 0 0 245.326 3.531 20 0 BHADRN Cc1nc(NCC(F)(F)F)sc1C(C)C ZINC000843269562 588096468 /nfs/dbraw/zinc/09/64/68/588096468.db2.gz RMDLJVGGLJDYRT-UHFFFAOYSA-N 0 0 238.278 3.549 20 0 BHADRN CCCCCCSCCCc1nc(C)no1 ZINC000843302386 588098636 /nfs/dbraw/zinc/09/86/36/588098636.db2.gz JILIYMXYLAEPOO-UHFFFAOYSA-N 0 0 242.388 3.624 20 0 BHADRN Fc1ccc(CSCC2=CCCC2)nc1 ZINC000843302473 588098809 /nfs/dbraw/zinc/09/88/09/588098809.db2.gz NARKIVWYDMHTJB-UHFFFAOYSA-N 0 0 223.316 3.564 20 0 BHADRN CC(C)SCCSCCC[C@@H]1CCOC1 ZINC000843303353 588098831 /nfs/dbraw/zinc/09/88/31/588098831.db2.gz 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ZINC000843317047 588099835 /nfs/dbraw/zinc/09/98/35/588099835.db2.gz FPKNKOUDSNMBTO-HJWRWDBZSA-N 0 0 238.356 3.841 20 0 BHADRN CCC[C@@H](c1nc(CC)no1)c1ccccc1 ZINC000843317945 588099562 /nfs/dbraw/zinc/09/95/62/588099562.db2.gz DCHGHCWVHLNOOR-GFCCVEGCSA-N 0 0 230.311 3.564 20 0 BHADRN CCC[C@H](c1nc(CC)no1)c1ccccc1 ZINC000843317948 588099911 /nfs/dbraw/zinc/09/99/11/588099911.db2.gz DCHGHCWVHLNOOR-LBPRGKRZSA-N 0 0 230.311 3.564 20 0 BHADRN Cc1ccc(NC(=O)/C=C\C2CCCC2)c(C)c1 ZINC000843514667 588118089 /nfs/dbraw/zinc/11/80/89/588118089.db2.gz CAQNHOCHJBXZBY-NTMALXAHSA-N 0 0 243.350 3.988 20 0 BHADRN Cc1ccc(C)c(NC(=O)/C=C\C2CCCC2)c1 ZINC000843514915 588118117 /nfs/dbraw/zinc/11/81/17/588118117.db2.gz CVZCYJYZAHTUSK-KTKRTIGZSA-N 0 0 243.350 3.988 20 0 BHADRN C[C@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 ZINC000843514932 588118259 /nfs/dbraw/zinc/11/82/59/588118259.db2.gz DVWAPPATHKYDGZ-HHQWOOOKSA-N 0 0 243.350 3.610 20 0 BHADRN C[C@@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 ZINC000843514933 588118208 /nfs/dbraw/zinc/11/82/08/588118208.db2.gz DVWAPPATHKYDGZ-YLGBQOPLSA-N 0 0 243.350 3.610 20 0 BHADRN CN(C(=O)/C=C\C1CCCC1)C1CCCCC1 ZINC000843515170 588118240 /nfs/dbraw/zinc/11/82/40/588118240.db2.gz IXFGSLXMCZFYAV-QXMHVHEDSA-N 0 0 235.371 3.524 20 0 BHADRN Cc1ccc(F)cc1NC(=O)/C=C\C1CCCC1 ZINC000843515529 588118387 /nfs/dbraw/zinc/11/83/87/588118387.db2.gz CNLRSIKSIPPKNX-CLFYSBASSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1ccc(F)cc1NC(=O)/C=C/C1CCCC1 ZINC000843515530 588118581 /nfs/dbraw/zinc/11/85/81/588118581.db2.gz CNLRSIKSIPPKNX-VQHVLOKHSA-N 0 0 247.313 3.819 20 0 BHADRN O=C(/C=C\C1CCCC1)Nc1cccc(F)c1 ZINC000843515819 588118545 /nfs/dbraw/zinc/11/85/45/588118545.db2.gz PYSRKMZTSYUQAD-HJWRWDBZSA-N 0 0 233.286 3.511 20 0 BHADRN O=C(/C=C\C1CCCC1)Nc1ccc(F)cc1 ZINC000843515851 588118469 /nfs/dbraw/zinc/11/84/69/588118469.db2.gz RNHAFTILCSVKPI-YHYXMXQVSA-N 0 0 233.286 3.511 20 0 BHADRN Cc1cccc(NC(=O)/C=C\C2CCCC2)c1C ZINC000843515862 588118492 /nfs/dbraw/zinc/11/84/92/588118492.db2.gz RWZXNPQGLRHQHZ-KHPPLWFESA-N 0 0 243.350 3.988 20 0 BHADRN O=C(NC1CCCCCCC1)C1CC2(CCC2)C1 ZINC000843516339 588118649 /nfs/dbraw/zinc/11/86/49/588118649.db2.gz WYHWNUVKAUCIDX-UHFFFAOYSA-N 0 0 249.398 3.796 20 0 BHADRN Cc1cccc(C(C)C)c1NC(=O)C1(F)CC1 ZINC000843516387 588118705 /nfs/dbraw/zinc/11/87/05/588118705.db2.gz YZCXGCLWGPZZGT-UHFFFAOYSA-N 0 0 235.302 3.559 20 0 BHADRN Cc1cc(F)ccc1NC(=O)/C=C/C1CCCC1 ZINC000843516599 588118509 /nfs/dbraw/zinc/11/85/09/588118509.db2.gz BQNLHDDEVZDJIM-RMKNXTFCSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1cc(F)ccc1NC(=O)/C=C\C1CCCC1 ZINC000843516601 588118505 /nfs/dbraw/zinc/11/85/05/588118505.db2.gz BQNLHDDEVZDJIM-TWGQIWQCSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1ccc(NC(=O)/C=C\C2CCCC2)c(F)c1 ZINC000843516788 588118434 /nfs/dbraw/zinc/11/84/34/588118434.db2.gz CUOATIPPNWNVRA-CLFYSBASSA-N 0 0 247.313 3.819 20 0 BHADRN Cc1ccc(NC(=O)/C=C/C2CCCC2)c(F)c1 ZINC000843516789 588118476 /nfs/dbraw/zinc/11/84/76/588118476.db2.gz CUOATIPPNWNVRA-VQHVLOKHSA-N 0 0 247.313 3.819 20 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CCCCC[C@H](C)NC(=O)C1CC2(CCC2)C1 ZINC000843518026 588118829 /nfs/dbraw/zinc/11/88/29/588118829.db2.gz QEWZZLDPHSXGDF-LBPRGKRZSA-N 0 0 237.387 3.652 20 0 BHADRN C[C@@H](NC(=O)/C=C/C1CCCC1)c1cccs1 ZINC000843519432 588118939 /nfs/dbraw/zinc/11/89/39/588118939.db2.gz WEIDKMQMCARNLS-ANYFNZRUSA-N 0 0 249.379 3.672 20 0 BHADRN C[C@@H](NC(=O)/C=C\C1CCCC1)c1cccs1 ZINC000843519435 588118809 /nfs/dbraw/zinc/11/88/09/588118809.db2.gz WEIDKMQMCARNLS-TYBABMIJSA-N 0 0 249.379 3.672 20 0 BHADRN O=C(/C=C/C1CCCC1)N(C1CC1)C1CCCC1 ZINC000843525565 588119632 /nfs/dbraw/zinc/11/96/32/588119632.db2.gz BGBNJWJAZIEZLP-FMIVXFBMSA-N 0 0 247.382 3.666 20 0 BHADRN O=C(/C=C\C1CCCC1)N(C1CC1)C1CCCC1 ZINC000843525566 588119624 /nfs/dbraw/zinc/11/96/24/588119624.db2.gz BGBNJWJAZIEZLP-XFXZXTDPSA-N 0 0 247.382 3.666 20 0 BHADRN C[C@@H](C1CC1)N(C(=O)/C=C/C1CCCC1)C1CC1 ZINC000843526305 588119804 /nfs/dbraw/zinc/11/98/04/588119804.db2.gz NDXFYOVSDVXHHH-BCMYLCSRSA-N 0 0 247.382 3.522 20 0 BHADRN C[C@@H](C1CC1)N(C(=O)/C=C\C1CCCC1)C1CC1 ZINC000843526306 588119654 /nfs/dbraw/zinc/11/96/54/588119654.db2.gz NDXFYOVSDVXHHH-DSDFTUOUSA-N 0 0 247.382 3.522 20 0 BHADRN C[C@H](C1CC1)N(C(=O)/C=C\C1CCCC1)C1CC1 ZINC000843526307 588119563 /nfs/dbraw/zinc/11/95/63/588119563.db2.gz NDXFYOVSDVXHHH-HUMZTAOYSA-N 0 0 247.382 3.522 20 0 BHADRN C[C@H](C1CC1)N(C(=O)/C=C/C1CCCC1)C1CC1 ZINC000843526308 588119720 /nfs/dbraw/zinc/11/97/20/588119720.db2.gz NDXFYOVSDVXHHH-IGEMTJHASA-N 0 0 247.382 3.522 20 0 BHADRN CCN(C(=O)/C=C\C1CCCC1)C1CCCC1 ZINC000843527366 588119701 /nfs/dbraw/zinc/11/97/01/588119701.db2.gz KCDFQXOUQXENNY-QXMHVHEDSA-N 0 0 235.371 3.524 20 0 BHADRN CCN(C(=O)/C=C/C1CCCC1)C1CCCC1 ZINC000843527367 588117776 /nfs/dbraw/zinc/11/77/76/588117776.db2.gz KCDFQXOUQXENNY-VAWYXSNFSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)CCc1ccccc1NC(=O)C1(F)CC1 ZINC000843538553 588121100 /nfs/dbraw/zinc/12/11/00/588121100.db2.gz XRUHRHWOISZMLW-UHFFFAOYSA-N 0 0 249.329 3.716 20 0 BHADRN Cc1ccc(N(C)C(=O)C2CC3(CCC3)C2)cc1 ZINC000843541183 588121428 /nfs/dbraw/zinc/12/14/28/588121428.db2.gz XVZQVDUTJHERIS-UHFFFAOYSA-N 0 0 243.350 3.538 20 0 BHADRN Cc1ccc(C)c(N(C(=O)C2(F)CC2)C(C)C)c1 ZINC000843542115 588121438 /nfs/dbraw/zinc/12/14/38/588121438.db2.gz NUVRAXLDCKECPX-UHFFFAOYSA-N 0 0 249.329 3.547 20 0 BHADRN CCCCC[C@@H](NC(=O)C1(F)CC1)C(C)(C)C ZINC000843551140 588122118 /nfs/dbraw/zinc/12/21/18/588122118.db2.gz PXGIUVFXNQKKMQ-LLVKDONJSA-N 0 0 243.366 3.600 20 0 BHADRN CCCCC[C@H](NC(=O)C1(F)CC1)C(C)(C)C ZINC000843551141 588122022 /nfs/dbraw/zinc/12/20/22/588122022.db2.gz PXGIUVFXNQKKMQ-NSHDSACASA-N 0 0 243.366 3.600 20 0 BHADRN CC(C)N(C(=O)/C=C\C1CCCC1)C1CCC1 ZINC000843554164 588122952 /nfs/dbraw/zinc/12/29/52/588122952.db2.gz PPRRDLTXWBHDCM-KHPPLWFESA-N 0 0 235.371 3.522 20 0 BHADRN CC(C)N(C(=O)/C=C/C1CCCC1)C1CCC1 ZINC000843554165 588123012 /nfs/dbraw/zinc/12/30/12/588123012.db2.gz PPRRDLTXWBHDCM-ZHACJKMWSA-N 0 0 235.371 3.522 20 0 BHADRN O=C(/C=C\C1CCCC1)N1C2CCCC1CCC2 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ZINC000843582830 588126539 /nfs/dbraw/zinc/12/65/39/588126539.db2.gz VAICUHVTZOXZCK-UNQGMJICSA-N 0 0 249.398 3.508 20 0 BHADRN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000843582832 588126465 /nfs/dbraw/zinc/12/64/65/588126465.db2.gz VAICUHVTZOXZCK-UQOMUDLDSA-N 0 0 249.398 3.508 20 0 BHADRN O=C(/C=C/C1CCCC1)NC1CCC2(CC2)CC1 ZINC000843585674 588126772 /nfs/dbraw/zinc/12/67/72/588126772.db2.gz XBZWEZVIHMGWQM-AATRIKPKSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C\C1CCCC1)NC1CCC2(CC2)CC1 ZINC000843585676 588126749 /nfs/dbraw/zinc/12/67/49/588126749.db2.gz XBZWEZVIHMGWQM-WAYWQWQTSA-N 0 0 247.382 3.572 20 0 BHADRN CCc1cc(C)cc(CC)c1NC(=O)C1(F)CC1 ZINC000843587131 588126663 /nfs/dbraw/zinc/12/66/63/588126663.db2.gz IRVVSAKUGHXINP-UHFFFAOYSA-N 0 0 249.329 3.560 20 0 BHADRN C[C@H]1CC2(CCC2)CN1C(=O)/C=C/C1CCCC1 ZINC000843587451 588127141 /nfs/dbraw/zinc/12/71/41/588127141.db2.gz WNHURLKAQIIKJN-GWJCSSMESA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@H]1CC2(CCC2)CN1C(=O)/C=C\C1CCCC1 ZINC000843587452 588127296 /nfs/dbraw/zinc/12/72/96/588127296.db2.gz WNHURLKAQIIKJN-MEJMFZKBSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@H]1CC2(CCC2)CN1C(=O)/C=C/C1CCCC1 ZINC000843587453 588127309 /nfs/dbraw/zinc/12/73/09/588127309.db2.gz WNHURLKAQIIKJN-SBDDDAINSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@H]1CC2(CCC2)CN1C(=O)/C=C\C1CCCC1 ZINC000843587454 588127047 /nfs/dbraw/zinc/12/70/47/588127047.db2.gz WNHURLKAQIIKJN-WSROAFLRSA-N 0 0 247.382 3.524 20 0 BHADRN CN(C(=O)/C=C\C1CCCC1)C1(C)CCCC1 ZINC000843587773 588127167 /nfs/dbraw/zinc/12/71/67/588127167.db2.gz PDFIYTRFGDDENY-KTKRTIGZSA-N 0 0 235.371 3.524 20 0 BHADRN CN(C(=O)/C=C/C1CCCC1)C1(C)CCCC1 ZINC000843587774 588127289 /nfs/dbraw/zinc/12/72/89/588127289.db2.gz PDFIYTRFGDDENY-MDZDMXLPSA-N 0 0 235.371 3.524 20 0 BHADRN O=C(/C=C\C1CCCC1)N(CC1CC1)C1CCC1 ZINC000843588263 588127332 /nfs/dbraw/zinc/12/73/32/588127332.db2.gz WBXNVXNAXRVJLT-KHPPLWFESA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C/C1CCCC1)N(CC1CC1)C1CCC1 ZINC000843588266 588127322 /nfs/dbraw/zinc/12/73/22/588127322.db2.gz WBXNVXNAXRVJLT-ZHACJKMWSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@H](NC(=O)/C=C\C1CCCC1)c1ccsc1 ZINC000843590151 588127060 /nfs/dbraw/zinc/12/70/60/588127060.db2.gz GGAHYNLXVXCXQA-JMEBYUIHSA-N 0 0 249.379 3.672 20 0 BHADRN C[C@H](NC(=O)/C=C/C1CCCC1)c1ccsc1 ZINC000843590152 588126973 /nfs/dbraw/zinc/12/69/73/588126973.db2.gz GGAHYNLXVXCXQA-MLRMMBSGSA-N 0 0 249.379 3.672 20 0 BHADRN C[C@@H](NC(=O)/C=C/C1CCCC1)c1ccsc1 ZINC000843590153 588127121 /nfs/dbraw/zinc/12/71/21/588127121.db2.gz GGAHYNLXVXCXQA-XUIVZRPNSA-N 0 0 249.379 3.672 20 0 BHADRN C[C@H](NC(=O)/C=C\C1CCCC1)c1ccsc1 ZINC000843590154 588126985 /nfs/dbraw/zinc/12/69/85/588126985.db2.gz GGAHYNLXVXCXQA-ZADCQDASSA-N 0 0 249.379 3.672 20 0 BHADRN O=C(/C=C\C1CCCC1)N1CCC2(CCC2)CC1 ZINC000843593838 588127638 /nfs/dbraw/zinc/12/76/38/588127638.db2.gz TWIQSZQXPMOADU-SREVYHEPSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(/C=C/C1CCCC1)N1CCC2(CCC2)CC1 ZINC000843593840 588127579 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/nfs/dbraw/zinc/12/86/03/588128603.db2.gz HJDJAKTZFTZCQR-AATRIKPKSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C\C1CCCC1)NC12CCC(CC1)CC2 ZINC000843601424 588128785 /nfs/dbraw/zinc/12/87/85/588128785.db2.gz HJDJAKTZFTZCQR-WAYWQWQTSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(C1CC2(CCC2)C1)N1CCCCCCCC1 ZINC000843602056 588128748 /nfs/dbraw/zinc/12/87/48/588128748.db2.gz LXDZZGGLDXHDAR-UHFFFAOYSA-N 0 0 249.398 3.750 20 0 BHADRN Cc1ccc(OC(=O)C2(F)CC2)c2ccccc12 ZINC000843603409 588129050 /nfs/dbraw/zinc/12/90/50/588129050.db2.gz AEPNRPCZJLPYGU-UHFFFAOYSA-N 0 0 244.265 3.556 20 0 BHADRN O=C(/C=C\C1CCCC1)NC1(C2CCC2)CCC1 ZINC000843604846 588129299 /nfs/dbraw/zinc/12/92/99/588129299.db2.gz BQRLGYNMLWWIDJ-KTKRTIGZSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C/C1CCCC1)NC1(C2CCC2)CCC1 ZINC000843604847 588129296 /nfs/dbraw/zinc/12/92/96/588129296.db2.gz BQRLGYNMLWWIDJ-MDZDMXLPSA-N 0 0 247.382 3.572 20 0 BHADRN CCC(=CC(=O)N1CC[C@@H]2CCCC[C@@H]21)CC ZINC000843620907 645297608 /nfs/dbraw/zinc/29/76/08/645297608.db2.gz BKYWVFSXKZUIDI-KBPBESRZSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@H]1CC/C(=C/C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000843620910 645298426 /nfs/dbraw/zinc/29/84/26/645298426.db2.gz BUTNDLOIQMGBPS-CDIPMMMVSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@H]1CC/C(=C\C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000843620911 645299070 /nfs/dbraw/zinc/29/90/70/645299070.db2.gz BUTNDLOIQMGBPS-HRGPLPCTSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@H]1CC/C(=C\C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000843620912 645298466 /nfs/dbraw/zinc/29/84/66/645298466.db2.gz BUTNDLOIQMGBPS-INWGOTTISA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@H]1CC/C(=C/C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000843620913 645297874 /nfs/dbraw/zinc/29/78/74/645297874.db2.gz BUTNDLOIQMGBPS-MVYDIDFHSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C/C1CCCC1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000843621142 645298248 /nfs/dbraw/zinc/29/82/48/645298248.db2.gz KFTDQGUUQIFORL-CWCINCBISA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C\C1CCCC1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000843621143 645299188 /nfs/dbraw/zinc/29/91/88/645299188.db2.gz KFTDQGUUQIFORL-KZZSIXTMSA-N 0 0 247.382 3.524 20 0 BHADRN CC/C(C)=C(\C)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000843621393 645297696 /nfs/dbraw/zinc/29/76/96/645297696.db2.gz QKOKQCMUVURCFH-GHYUOPHCSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C(/C)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000843621394 645297672 /nfs/dbraw/zinc/29/76/72/645297672.db2.gz QKOKQCMUVURCFH-HFOMYUCASA-N 0 0 235.371 3.524 20 0 BHADRN CCC/C(C)=C/C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000843621545 645298626 /nfs/dbraw/zinc/29/86/26/645298626.db2.gz VICDHLHPCYXKGB-GHYUOPHCSA-N 0 0 235.371 3.524 20 0 BHADRN CCC/C(C)=C\C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000843621546 645299233 /nfs/dbraw/zinc/29/92/33/645299233.db2.gz VICDHLHPCYXKGB-HFOMYUCASA-N 0 0 235.371 3.524 20 0 BHADRN Cc1ccc(NC(=O)C(C)(C)F)c(Cl)c1C ZINC000843635952 588130323 /nfs/dbraw/zinc/13/03/23/588130323.db2.gz DENDZVIYUFQGGQ-UHFFFAOYSA-N 0 0 243.709 3.643 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(C)c(C)c1Cl ZINC000843636066 588130347 /nfs/dbraw/zinc/13/03/47/588130347.db2.gz GEGICAQVFVOADB-VMPITWQZSA-N 0 0 237.730 3.862 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc(C)c(C)c1Cl ZINC000843636067 588130172 /nfs/dbraw/zinc/13/01/72/588130172.db2.gz GEGICAQVFVOADB-YVMONPNESA-N 0 0 237.730 3.862 20 0 BHADRN Cc1ccc(NC(=O)/C=C/C2CC2)c(Cl)c1C ZINC000843636602 588130358 /nfs/dbraw/zinc/13/03/58/588130358.db2.gz LVMMZGOZYAITKS-SOFGYWHQSA-N 0 0 249.741 3.862 20 0 BHADRN Cc1ccc(NC(=O)/C=C\C2CC2)c(Cl)c1C ZINC000843636603 588130142 /nfs/dbraw/zinc/13/01/42/588130142.db2.gz LVMMZGOZYAITKS-VURMDHGXSA-N 0 0 249.741 3.862 20 0 BHADRN CC(C)=CC(=O)Nc1ccc(C)c(C)c1Cl ZINC000843637814 588130202 /nfs/dbraw/zinc/13/02/02/588130202.db2.gz VMZKACWSHZXYIP-UHFFFAOYSA-N 0 0 237.730 3.862 20 0 BHADRN CN(CCC(C)(C)C)C(=O)C(C)(C)C(C)(F)F ZINC000843683006 588132596 /nfs/dbraw/zinc/13/25/96/588132596.db2.gz CNAJJEJLRRGFAK-UHFFFAOYSA-N 0 0 249.345 3.562 20 0 BHADRN CC/C(C)=C(/C)C(=O)N(C)CCC(C)(C)C ZINC000843683280 588132535 /nfs/dbraw/zinc/13/25/35/588132535.db2.gz HDYCQZGPCYSZEB-QXMHVHEDSA-N 0 0 225.376 3.627 20 0 BHADRN CC/C(C)=C(\C)C(=O)N(C)CCC(C)(C)C ZINC000843683281 588132712 /nfs/dbraw/zinc/13/27/12/588132712.db2.gz HDYCQZGPCYSZEB-VAWYXSNFSA-N 0 0 225.376 3.627 20 0 BHADRN CN(CCC(C)(C)C)C(=O)C1(F)CCCCC1 ZINC000843684370 588132790 /nfs/dbraw/zinc/13/27/90/588132790.db2.gz SKOHLNFUNHBNFJ-UHFFFAOYSA-N 0 0 243.366 3.553 20 0 BHADRN C/C(=C\c1ccc(C)cc1)C(=O)N(C)C(C)(C)C ZINC000843712461 588134435 /nfs/dbraw/zinc/13/44/35/588134435.db2.gz FNQBJSWZTDKNHL-ACCUITESSA-N 0 0 245.366 3.655 20 0 BHADRN C/C(=C/c1ccc(C)cc1)C(=O)N(C)C(C)(C)C ZINC000843712462 588134278 /nfs/dbraw/zinc/13/42/78/588134278.db2.gz FNQBJSWZTDKNHL-QBFSEMIESA-N 0 0 245.366 3.655 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N(C)C(C)(C)C ZINC000843712471 588134345 /nfs/dbraw/zinc/13/43/45/588134345.db2.gz FSIVCMFEDSQPLJ-GFCCVEGCSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCCC[C@H](C)C(=O)N(C)C(C)(C)C ZINC000843712491 588134356 /nfs/dbraw/zinc/13/43/56/588134356.db2.gz FSIVCMFEDSQPLJ-LBPRGKRZSA-N 0 0 227.392 3.850 20 0 BHADRN CN(C(=O)/C=C\Sc1ccccc1)C(C)(C)C ZINC000843713064 588134463 /nfs/dbraw/zinc/13/44/63/588134463.db2.gz OGZVTUHWUQRIKM-KHPPLWFESA-N 0 0 249.379 3.549 20 0 BHADRN CN(C(=O)/C=C/Sc1ccccc1)C(C)(C)C ZINC000843713066 588134349 /nfs/dbraw/zinc/13/43/49/588134349.db2.gz OGZVTUHWUQRIKM-ZHACJKMWSA-N 0 0 249.379 3.549 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C)C(C)(C)C ZINC000843713423 588134499 /nfs/dbraw/zinc/13/44/99/588134499.db2.gz QVPYEMPXCZWVPP-GFCCVEGCSA-N 0 0 227.392 3.850 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C)C(C)(C)C ZINC000843713424 588134348 /nfs/dbraw/zinc/13/43/48/588134348.db2.gz QVPYEMPXCZWVPP-LBPRGKRZSA-N 0 0 227.392 3.850 20 0 BHADRN CN(C(=O)C1CCCCCCC1)C(C)(C)C ZINC000843713836 588134313 /nfs/dbraw/zinc/13/43/13/588134313.db2.gz UZZDKDJAIKNNMR-UHFFFAOYSA-N 0 0 225.376 3.604 20 0 BHADRN CC/C(=C\C(=O)N(C)C(C)(C)C)c1ccccc1 ZINC000843713883 588134342 /nfs/dbraw/zinc/13/43/42/588134342.db2.gz WJTUJNOLUXGACT-OUKQBFOZSA-N 0 0 245.366 3.737 20 0 BHADRN CC/C(=C/C(=O)N(C)C(C)(C)C)c1ccccc1 ZINC000843713885 582564419 /nfs/dbraw/zinc/56/44/19/582564419.db2.gz WJTUJNOLUXGACT-SEYXRHQNSA-N 0 0 245.366 3.737 20 0 BHADRN CN(C(=O)CCCSC(C)(C)C)C(C)(C)C ZINC000843713908 588134327 /nfs/dbraw/zinc/13/43/27/588134327.db2.gz XGRAPMLPKYNHPO-UHFFFAOYSA-N 0 0 245.432 3.555 20 0 BHADRN CN(C(=O)[C@H](F)CC1CCCCC1)C(C)(C)C ZINC000843716747 645307009 /nfs/dbraw/zinc/30/70/09/645307009.db2.gz PYQAKIBKHZGFSL-GFCCVEGCSA-N 0 0 243.366 3.552 20 0 BHADRN CN(C(=O)[C@@H](F)CC1CCCCC1)C(C)(C)C ZINC000843716749 645307057 /nfs/dbraw/zinc/30/70/57/645307057.db2.gz PYQAKIBKHZGFSL-LBPRGKRZSA-N 0 0 243.366 3.552 20 0 BHADRN CCCCCCC(=O)NCC1CCC(F)CC1 ZINC000843727233 588135126 /nfs/dbraw/zinc/13/51/26/588135126.db2.gz OAISJZRHTXIFQN-UHFFFAOYSA-N 0 0 243.366 3.601 20 0 BHADRN CC[C@@H](NC(=O)C=C1CCC1)c1csc(C)c1 ZINC000843732573 588135693 /nfs/dbraw/zinc/13/56/93/588135693.db2.gz DXTVZOAOLFTKBZ-CYBMUJFWSA-N 0 0 249.379 3.734 20 0 BHADRN CC[C@H](NC(=O)C=C1CCC1)c1csc(C)c1 ZINC000843732574 588135948 /nfs/dbraw/zinc/13/59/48/588135948.db2.gz DXTVZOAOLFTKBZ-ZDUSSCGKSA-N 0 0 249.379 3.734 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](CC)c1csc(C)c1 ZINC000843733881 588136122 /nfs/dbraw/zinc/13/61/22/588136122.db2.gz LFGKLQZCAAAEKG-BIPYJSMBSA-N 0 0 237.368 3.590 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](CC)c1csc(C)c1 ZINC000843733882 588136062 /nfs/dbraw/zinc/13/60/62/588136062.db2.gz LFGKLQZCAAAEKG-DJTUGOFGSA-N 0 0 237.368 3.590 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](CC)c1csc(C)c1 ZINC000843733883 588136118 /nfs/dbraw/zinc/13/61/18/588136118.db2.gz LFGKLQZCAAAEKG-LHXVZLOVSA-N 0 0 237.368 3.590 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](CC)c1csc(C)c1 ZINC000843733884 588136350 /nfs/dbraw/zinc/13/63/50/588136350.db2.gz LFGKLQZCAAAEKG-LRAPTIAOSA-N 0 0 237.368 3.590 20 0 BHADRN CC[C@@H](NC(=O)C=C(C)C)c1csc(C)c1 ZINC000843735152 588136264 /nfs/dbraw/zinc/13/62/64/588136264.db2.gz RCIKUJPQSKAREM-GFCCVEGCSA-N 0 0 237.368 3.590 20 0 BHADRN CC[C@H](NC(=O)C=C(C)C)c1csc(C)c1 ZINC000843735155 588136054 /nfs/dbraw/zinc/13/60/54/588136054.db2.gz RCIKUJPQSKAREM-LBPRGKRZSA-N 0 0 237.368 3.590 20 0 BHADRN CC[C@@H](NC(=O)/C=C\C1CC1)c1csc(C)c1 ZINC000843735416 588136254 /nfs/dbraw/zinc/13/62/54/588136254.db2.gz UDVULAPTROCTHI-FMFIFOJESA-N 0 0 249.379 3.590 20 0 BHADRN CC[C@H](NC(=O)/C=C\C1CC1)c1csc(C)c1 ZINC000843735417 588136241 /nfs/dbraw/zinc/13/62/41/588136241.db2.gz UDVULAPTROCTHI-FWWRYZNZSA-N 0 0 249.379 3.590 20 0 BHADRN CC[C@@H](NC(=O)/C=C/C1CC1)c1csc(C)c1 ZINC000843735418 588136280 /nfs/dbraw/zinc/13/62/80/588136280.db2.gz UDVULAPTROCTHI-KTRBRXNASA-N 0 0 249.379 3.590 20 0 BHADRN CC[C@H](NC(=O)/C=C/C1CC1)c1csc(C)c1 ZINC000843735419 588136226 /nfs/dbraw/zinc/13/62/26/588136226.db2.gz UDVULAPTROCTHI-YBJDMEARSA-N 0 0 249.379 3.590 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](CC)c1csc(C)c1 ZINC000843736112 588136060 /nfs/dbraw/zinc/13/60/60/588136060.db2.gz XHYPOQGVXKGUGR-DTIHGJCLSA-N 0 0 249.379 3.756 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](CC)c1csc(C)c1 ZINC000843736113 588136287 /nfs/dbraw/zinc/13/62/87/588136287.db2.gz XHYPOQGVXKGUGR-LTXJWVIVSA-N 0 0 249.379 3.756 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H](CC)c1csc(C)c1 ZINC000843736114 588136033 /nfs/dbraw/zinc/13/60/33/588136033.db2.gz XHYPOQGVXKGUGR-VBTYPQTQSA-N 0 0 249.379 3.756 20 0 BHADRN C/C=C/C=C/C(=O)N[C@H](CC)c1csc(C)c1 ZINC000843736115 588136177 /nfs/dbraw/zinc/13/61/77/588136177.db2.gz XHYPOQGVXKGUGR-WRKGSVQYSA-N 0 0 249.379 3.756 20 0 BHADRN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCCCC1 ZINC000843739620 588136684 /nfs/dbraw/zinc/13/66/84/588136684.db2.gz HHDAZQFCXMZIGI-RBSFLKMASA-N 0 0 249.398 3.652 20 0 BHADRN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCCCC1 ZINC000843739622 588136729 /nfs/dbraw/zinc/13/67/29/588136729.db2.gz HHDAZQFCXMZIGI-SOUVJXGZSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C(=O)N1CCCC[C@H]1C1CCC1)=C1CCC1 ZINC000843742262 645308186 /nfs/dbraw/zinc/30/81/86/645308186.db2.gz DZNNOOHPMVCSSJ-HNNXBMFYSA-N 0 0 247.382 3.668 20 0 BHADRN CC(C(=O)N1CCCC[C@@H]1C1CCC1)=C1CCC1 ZINC000843742263 645308931 /nfs/dbraw/zinc/30/89/31/645308931.db2.gz DZNNOOHPMVCSSJ-OAHLLOKOSA-N 0 0 247.382 3.668 20 0 BHADRN CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000843742943 645308256 /nfs/dbraw/zinc/30/82/56/645308256.db2.gz JGRLKEMKFWWUCF-GMMCIKNFSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C=C(/C)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000843742944 645308110 /nfs/dbraw/zinc/30/81/10/645308110.db2.gz JGRLKEMKFWWUCF-VDBIKXPHSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000843742945 645308858 /nfs/dbraw/zinc/30/88/58/645308858.db2.gz JGRLKEMKFWWUCF-WEKMIXOTSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C=C(/C)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000843742946 645309225 /nfs/dbraw/zinc/30/92/25/645309225.db2.gz JGRLKEMKFWWUCF-YRBHFNIASA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(/CC)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000843743783 645311078 /nfs/dbraw/zinc/31/10/78/645311078.db2.gz QFUZANQDYYDTNW-BOTKQDERSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(/CC)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000843743784 645311103 /nfs/dbraw/zinc/31/11/03/645311103.db2.gz QFUZANQDYYDTNW-DXCZGNEWSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(\CC)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000843743785 588137148 /nfs/dbraw/zinc/13/71/48/588137148.db2.gz QFUZANQDYYDTNW-PTJFDQCRSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(\CC)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000843743786 588137200 /nfs/dbraw/zinc/13/72/00/588137200.db2.gz QFUZANQDYYDTNW-RRIZPTRRSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)=C(C)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000843744662 588137172 /nfs/dbraw/zinc/13/71/72/588137172.db2.gz YEEUPVJKMLYZKC-AWEZNQCLSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)=C(C)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000843744665 588136699 /nfs/dbraw/zinc/13/66/99/588136699.db2.gz YEEUPVJKMLYZKC-CQSZACIVSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C/C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000843744797 588136907 /nfs/dbraw/zinc/13/69/07/588136907.db2.gz YXGBUKBMLYZHDD-GCZGRYASSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C/C(=O)N1CCCC[C@H]1C1CCC1 ZINC000843744799 588137094 /nfs/dbraw/zinc/13/70/94/588137094.db2.gz YXGBUKBMLYZHDD-GETOMWPZSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C\C(=O)N1CCCC[C@H]1C1CCC1 ZINC000843744801 588137117 /nfs/dbraw/zinc/13/71/17/588137117.db2.gz YXGBUKBMLYZHDD-NYHXXUGCSA-N 0 0 235.371 3.524 20 0 BHADRN CC/C(C)=C\C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000843744802 588137159 /nfs/dbraw/zinc/13/71/59/588137159.db2.gz YXGBUKBMLYZHDD-XMXAVACDSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@H](CC(=O)N1CCCC[C@H]1C1CCC1)C1CC1 ZINC000843744827 582566072 /nfs/dbraw/zinc/56/60/72/582566072.db2.gz ZBTPECWGNMEQSH-DOMZBBRYSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H](CC(=O)N1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000843744833 582566073 /nfs/dbraw/zinc/56/60/73/582566073.db2.gz ZBTPECWGNMEQSH-IUODEOHRSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000843744835 643377784 /nfs/dbraw/zinc/37/77/84/643377784.db2.gz ZBTPECWGNMEQSH-SWLSCSKDSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H](CC(=O)N1CCCC[C@H]1C1CCC1)C1CC1 ZINC000843744840 643377182 /nfs/dbraw/zinc/37/71/82/643377182.db2.gz ZBTPECWGNMEQSH-WFASDCNBSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CC(C(=O)N2CCCC[C@H]2C2CCC2)C1 ZINC000843744881 588137213 /nfs/dbraw/zinc/13/72/13/588137213.db2.gz ZJIBMAAOFPPPGG-AWEZNQCLSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CC(C(=O)N2CCCC[C@@H]2C2CCC2)C1 ZINC000843744882 588137161 /nfs/dbraw/zinc/13/71/61/588137161.db2.gz ZJIBMAAOFPPPGG-CQSZACIVSA-N 0 0 249.398 3.604 20 0 BHADRN C/C(=C\C(=O)N1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000843744896 588137138 /nfs/dbraw/zinc/13/71/38/588137138.db2.gz ZTTNLMXNQMJEJQ-AYJWMTRPSA-N 0 0 247.382 3.524 20 0 BHADRN C/C(=C/C(=O)N1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000843744897 588137074 /nfs/dbraw/zinc/13/70/74/588137074.db2.gz ZTTNLMXNQMJEJQ-QYMJWVLRSA-N 0 0 247.382 3.524 20 0 BHADRN C/C(=C\C(=O)N1CCCC[C@H]1C1CCC1)C1CC1 ZINC000843744898 588136928 /nfs/dbraw/zinc/13/69/28/588136928.db2.gz ZTTNLMXNQMJEJQ-RUMSDORHSA-N 0 0 247.382 3.524 20 0 BHADRN C/C(=C/C(=O)N1CCCC[C@H]1C1CCC1)C1CC1 ZINC000843744899 588137104 /nfs/dbraw/zinc/13/71/04/588137104.db2.gz ZTTNLMXNQMJEJQ-SSCKCOOKSA-N 0 0 247.382 3.524 20 0 BHADRN CCCCCC[C@H](C)NC(=O)C1(C(F)F)CC1 ZINC000843761425 588137690 /nfs/dbraw/zinc/13/76/90/588137690.db2.gz LDXGXOAQYJPLAB-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)C1(C(F)F)CC1 ZINC000843761426 588138054 /nfs/dbraw/zinc/13/80/54/588138054.db2.gz LDXGXOAQYJPLAB-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN O=C(/C=C/C1CCCC1)N1CCC[C@@H]1C1CCC1 ZINC000843787314 588140359 /nfs/dbraw/zinc/14/03/59/588140359.db2.gz QDLHSBQZFVDKPE-AUECHBEKSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C\C1CCCC1)N1CCC[C@@H]1C1CCC1 ZINC000843787315 588140373 /nfs/dbraw/zinc/14/03/73/588140373.db2.gz QDLHSBQZFVDKPE-JQPIKURYSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C/C1CCCC1)N1CCC[C@H]1C1CCC1 ZINC000843787316 588140358 /nfs/dbraw/zinc/14/03/58/588140358.db2.gz QDLHSBQZFVDKPE-NKSUMMKUSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C\C1CCCC1)N1CCC[C@H]1C1CCC1 ZINC000843787317 588140041 /nfs/dbraw/zinc/14/00/41/588140041.db2.gz QDLHSBQZFVDKPE-WOLCWHLNSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C/C1CCCC1)N1CC2(C1)CCCCC2 ZINC000843851419 588145159 /nfs/dbraw/zinc/14/51/59/588145159.db2.gz LDDYWLDBVNKOOA-CMDGGOBGSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(/C=C\C1CCCC1)N1CC2(C1)CCCCC2 ZINC000843851420 588145136 /nfs/dbraw/zinc/14/51/36/588145136.db2.gz LDDYWLDBVNKOOA-HJWRWDBZSA-N 0 0 247.382 3.526 20 0 BHADRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCC12CCC2 ZINC000843866597 588146521 /nfs/dbraw/zinc/14/65/21/588146521.db2.gz DWDYRLDUCBAGGF-QWHCGFSZSA-N 0 0 249.398 3.604 20 0 BHADRN C/C=C(/C=C\C(=O)N1CC[C@@H]2CCCC[C@@H]21)CC ZINC000843937937 588150582 /nfs/dbraw/zinc/15/05/82/588150582.db2.gz AMVIRLQDMOZRIM-IEIMVONVSA-N 0 0 247.382 3.690 20 0 BHADRN C/C=C(/C=C/C(=O)N1CC[C@@H]2CCCC[C@@H]21)CC ZINC000843937940 588150423 /nfs/dbraw/zinc/15/04/23/588150423.db2.gz AMVIRLQDMOZRIM-SHYLBTJISA-N 0 0 247.382 3.690 20 0 BHADRN CC(C(=O)N1CC[C@@H]2CCCC[C@@H]21)=C1CCCC1 ZINC000843939473 588150425 /nfs/dbraw/zinc/15/04/25/588150425.db2.gz NCVXMIXRIFEQIW-GJZGRUSLSA-N 0 0 247.382 3.668 20 0 BHADRN Cc1ccc(NC(=O)C(C)(F)F)c(Cl)c1C ZINC000843967541 588152106 /nfs/dbraw/zinc/15/21/06/588152106.db2.gz YYWANOCTZFDPQP-UHFFFAOYSA-N 0 0 247.672 3.551 20 0 BHADRN CC/C(C)=C/C(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC000844096629 588167263 /nfs/dbraw/zinc/16/72/63/588167263.db2.gz PDENLFRXVCDULI-NRMKIYEFSA-N 0 0 247.382 3.546 20 0 BHADRN CC/C(C)=C/C(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000844096630 588167243 /nfs/dbraw/zinc/16/72/43/588167243.db2.gz PDENLFRXVCDULI-VOMSXAGXSA-N 0 0 247.382 3.546 20 0 BHADRN CC/C(C)=C\C(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC000844096633 588167380 /nfs/dbraw/zinc/16/73/80/588167380.db2.gz PDENLFRXVCDULI-VSKPTYQZSA-N 0 0 247.382 3.546 20 0 BHADRN CC/C(C)=C\C(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000844096634 588167426 /nfs/dbraw/zinc/16/74/26/588167426.db2.gz PDENLFRXVCDULI-WVUXNXBLSA-N 0 0 247.382 3.546 20 0 BHADRN 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BHADRN CC/C=C(\C)C(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000844099456 588167463 /nfs/dbraw/zinc/16/74/63/588167463.db2.gz OZWKTHPHHUXWBP-CZAWJFPGSA-N 0 0 247.382 3.546 20 0 BHADRN CC/C=C(\C)C(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC000844099458 588167449 /nfs/dbraw/zinc/16/74/49/588167449.db2.gz OZWKTHPHHUXWBP-MAUPQMMJSA-N 0 0 247.382 3.546 20 0 BHADRN CC/C=C(/C)C(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000844099459 588167541 /nfs/dbraw/zinc/16/75/41/588167541.db2.gz OZWKTHPHHUXWBP-MQJVFOOVSA-N 0 0 247.382 3.546 20 0 BHADRN CC/C=C(/C)C(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC000844099461 588167271 /nfs/dbraw/zinc/16/72/71/588167271.db2.gz OZWKTHPHHUXWBP-YLHGKKIISA-N 0 0 247.382 3.546 20 0 BHADRN CCC/C=C\C(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000844099956 588167375 /nfs/dbraw/zinc/16/73/75/588167375.db2.gz SRQRYXXFTCKSCA-AJHXJQRKSA-N 0 0 247.382 3.546 20 0 BHADRN CCC/C=C/C(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000844099957 588167284 /nfs/dbraw/zinc/16/72/84/588167284.db2.gz SRQRYXXFTCKSCA-PPYMECGQSA-N 0 0 247.382 3.546 20 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CCCCCCC(=O)N1CCC12CCCC2 ZINC000846305232 588264507 /nfs/dbraw/zinc/26/45/07/588264507.db2.gz LKZPJABFNOVIIN-UHFFFAOYSA-N 0 0 223.360 3.502 20 0 BHADRN O=C(C1CCCCCCC1)N1CCC12CCCC2 ZINC000846305381 588264417 /nfs/dbraw/zinc/26/44/17/588264417.db2.gz JZIXVCVMESOHHX-UHFFFAOYSA-N 0 0 249.398 3.892 20 0 BHADRN C/C(=C/C(=O)N1CCC12CCCC2)C(C)(C)C ZINC000846307225 588264427 /nfs/dbraw/zinc/26/44/27/588264427.db2.gz UBUBRILQMJGUNB-QXMHVHEDSA-N 0 0 235.371 3.524 20 0 BHADRN C/C(=C\C(=O)N1CCC12CCCC2)C(C)(C)C ZINC000846307226 588264410 /nfs/dbraw/zinc/26/44/10/588264410.db2.gz UBUBRILQMJGUNB-VAWYXSNFSA-N 0 0 235.371 3.524 20 0 BHADRN O=C(/C=C/C1CCCCC1)N1CCC12CCCC2 ZINC000846307593 588264500 /nfs/dbraw/zinc/26/45/00/588264500.db2.gz XAOVJSNGLUNLRS-CMDGGOBGSA-N 0 0 247.382 3.668 20 0 BHADRN O=C(/C=C\C1CCCCC1)N1CCC12CCCC2 ZINC000846307594 588264407 /nfs/dbraw/zinc/26/44/07/588264407.db2.gz XAOVJSNGLUNLRS-HJWRWDBZSA-N 0 0 247.382 3.668 20 0 BHADRN CCC/C=C\C(=O)N[C@@H](CC)c1ccccc1F ZINC000846432297 588266191 /nfs/dbraw/zinc/26/61/91/588266191.db2.gz PKUVOVIVRMBWIN-KGBIHWOQSA-N 0 0 249.329 3.749 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](CC)c1ccccc1F ZINC000846432299 588266159 /nfs/dbraw/zinc/26/61/59/588266159.db2.gz PKUVOVIVRMBWIN-MUAYPFOZSA-N 0 0 249.329 3.749 20 0 BHADRN CC(C)=CC(=O)Nc1ccccc1NC1CCC1 ZINC000846435978 588266380 /nfs/dbraw/zinc/26/63/80/588266380.db2.gz AKLLKFCQXPQFNX-UHFFFAOYSA-N 0 0 244.338 3.556 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccccc1NC1CCC1 ZINC000846436610 588266262 /nfs/dbraw/zinc/26/62/62/588266262.db2.gz IEUVADUBECTAGD-JYOAFUTRSA-N 0 0 244.338 3.556 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccccc1NC1CCC1 ZINC000846436611 588266215 /nfs/dbraw/zinc/26/62/15/588266215.db2.gz IEUVADUBECTAGD-QDEBKDIKSA-N 0 0 244.338 3.556 20 0 BHADRN CCCCCCC(=O)Nc1cnccc1CC ZINC000846523742 588270149 /nfs/dbraw/zinc/27/01/49/588270149.db2.gz BUZCZUJOIBAMJE-UHFFFAOYSA-N 0 0 234.343 3.553 20 0 BHADRN CCc1ccncc1NC(=O)/C(C)=C\C(C)(C)C ZINC000846523819 588270012 /nfs/dbraw/zinc/27/00/12/588270012.db2.gz FMMCSTOLRCKORT-LUAWRHEFSA-N 0 0 246.354 3.575 20 0 BHADRN CCc1ccncc1NC(=O)/C(C)=C/C(C)(C)C ZINC000846523820 588270029 /nfs/dbraw/zinc/27/00/29/588270029.db2.gz FMMCSTOLRCKORT-PKNBQFBNSA-N 0 0 246.354 3.575 20 0 BHADRN CCc1ccncc1NC(=O)/C=C(/C)C(C)(C)C ZINC000846524485 588270141 /nfs/dbraw/zinc/27/01/41/588270141.db2.gz YPWRIZZALIXCRS-LUAWRHEFSA-N 0 0 246.354 3.575 20 0 BHADRN CCc1ccncc1NC(=O)/C=C(\C)C(C)(C)C ZINC000846524486 588270064 /nfs/dbraw/zinc/27/00/64/588270064.db2.gz YPWRIZZALIXCRS-PKNBQFBNSA-N 0 0 246.354 3.575 20 0 BHADRN CC1CCC(=CC(=O)NC2CC3(CCC3)C2)CC1 ZINC000846606923 588279469 /nfs/dbraw/zinc/27/94/69/588279469.db2.gz DZKSWUASGKZNKN-UHFFFAOYSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C/C1CCCCC1)NC1CC2(CCC2)C1 ZINC000846606954 588279329 /nfs/dbraw/zinc/27/93/29/588279329.db2.gz FKGLEODCFKMKCM-BQYQJAHWSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C\C1CCCCC1)NC1CC2(CCC2)C1 ZINC000846606955 588279480 /nfs/dbraw/zinc/27/94/80/588279480.db2.gz FKGLEODCFKMKCM-FPLPWBNLSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(NC1CC2(CCC2)C1)C1CCCCCCC1 ZINC000846608126 588279357 /nfs/dbraw/zinc/27/93/57/588279357.db2.gz UCOGKZVWDBZGKO-UHFFFAOYSA-N 0 0 249.398 3.796 20 0 BHADRN CCCCCC(C)(C)C(=O)N1CCC[C@@H](F)C1 ZINC000846628831 588280104 /nfs/dbraw/zinc/28/01/04/588280104.db2.gz CIIZPZHHURCKIZ-GFCCVEGCSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC(C)(C)C(=O)N1CCC[C@H](F)C1 ZINC000846628834 588280061 /nfs/dbraw/zinc/28/00/61/588280061.db2.gz CIIZPZHHURCKIZ-LBPRGKRZSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CCC[C@@H](F)C1 ZINC000846628985 588279938 /nfs/dbraw/zinc/27/99/38/588279938.db2.gz DMPAODOQZBIPSL-CHWSQXEVSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CCC[C@H](F)C1 ZINC000846628988 588280053 /nfs/dbraw/zinc/28/00/53/588280053.db2.gz DMPAODOQZBIPSL-OLZOCXBDSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CCC[C@@H](F)C1 ZINC000846628992 588279972 /nfs/dbraw/zinc/27/99/72/588279972.db2.gz DMPAODOQZBIPSL-QWHCGFSZSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CCC[C@H](F)C1 ZINC000846628994 588279964 /nfs/dbraw/zinc/27/99/64/588279964.db2.gz DMPAODOQZBIPSL-STQMWFEESA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC[C@@H](F)C1 ZINC000846629733 588280090 /nfs/dbraw/zinc/28/00/90/588280090.db2.gz ILAJUGLXVGSKKG-CHWSQXEVSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC[C@H](F)C1 ZINC000846629735 588279967 /nfs/dbraw/zinc/27/99/67/588279967.db2.gz ILAJUGLXVGSKKG-OLZOCXBDSA-N 0 0 243.366 3.553 20 0 BHADRN CC(C)CCCCCC(=O)N1CCC[C@@H](F)C1 ZINC000846629893 588279996 /nfs/dbraw/zinc/27/99/96/588279996.db2.gz HUXLWXLHDJXDGL-CYBMUJFWSA-N 0 0 243.366 3.553 20 0 BHADRN CC(C)CCCCCC(=O)N1CCC[C@H](F)C1 ZINC000846629896 588280067 /nfs/dbraw/zinc/28/00/67/588280067.db2.gz HUXLWXLHDJXDGL-ZDUSSCGKSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC[C@@H](F)C1 ZINC000846629915 588279976 /nfs/dbraw/zinc/27/99/76/588279976.db2.gz ILAJUGLXVGSKKG-QWHCGFSZSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC[C@H](F)C1 ZINC000846629917 588280012 /nfs/dbraw/zinc/28/00/12/588280012.db2.gz ILAJUGLXVGSKKG-STQMWFEESA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC[C@@H](F)C1 ZINC000846631031 588280121 /nfs/dbraw/zinc/28/01/21/588280121.db2.gz PAFHYBXLFZNPKS-CHWSQXEVSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC[C@H](F)C1 ZINC000846631033 588280058 /nfs/dbraw/zinc/28/00/58/588280058.db2.gz PAFHYBXLFZNPKS-OLZOCXBDSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC[C@@H](F)C1 ZINC000846631035 588280083 /nfs/dbraw/zinc/28/00/83/588280083.db2.gz PAFHYBXLFZNPKS-QWHCGFSZSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC[C@H](F)C1 ZINC000846631188 588280127 /nfs/dbraw/zinc/28/01/27/588280127.db2.gz PAFHYBXLFZNPKS-STQMWFEESA-N 0 0 243.366 3.553 20 0 BHADRN C[C@@H]1Cc2cc(NCc3ccccc3)ccc2O1 ZINC000846745136 588284389 /nfs/dbraw/zinc/28/43/89/588284389.db2.gz BOINORBXCXSGKW-GFCCVEGCSA-N 0 0 239.318 3.622 20 0 BHADRN C[C@H]1Cc2cc(NCc3ccccc3)ccc2O1 ZINC000846745138 588284333 /nfs/dbraw/zinc/28/43/33/588284333.db2.gz BOINORBXCXSGKW-LBPRGKRZSA-N 0 0 239.318 3.622 20 0 BHADRN C[C@H]1Cc2cc(NCc3ccsc3)ccc2O1 ZINC000846745246 588284290 /nfs/dbraw/zinc/28/42/90/588284290.db2.gz FGISUJXCANLSSW-JTQLQIEISA-N 0 0 245.347 3.684 20 0 BHADRN C[C@@H]1Cc2cc(NCc3ccsc3)ccc2O1 ZINC000846745247 588284404 /nfs/dbraw/zinc/28/44/04/588284404.db2.gz FGISUJXCANLSSW-SNVBAGLBSA-N 0 0 245.347 3.684 20 0 BHADRN CCC(CC)CNc1cncc(C(F)F)c1 ZINC000846745505 588284483 /nfs/dbraw/zinc/28/44/83/588284483.db2.gz HWKWXQHNYHABJI-UHFFFAOYSA-N 0 0 228.286 3.867 20 0 BHADRN CC(C)CCCNc1cncc(C(F)F)c1 ZINC000846745584 588284351 /nfs/dbraw/zinc/28/43/51/588284351.db2.gz JYUHVTXKABSSIA-UHFFFAOYSA-N 0 0 228.286 3.867 20 0 BHADRN CCCCNc1ccc(CSC)cc1 ZINC000846745708 588284271 /nfs/dbraw/zinc/28/42/71/588284271.db2.gz OGYOEXDOMBKJQP-UHFFFAOYSA-N 0 0 209.358 3.762 20 0 BHADRN CCCCNc1cccc(CSC)c1 ZINC000846745814 588284306 /nfs/dbraw/zinc/28/43/06/588284306.db2.gz PDKDBBGFHSVLNG-UHFFFAOYSA-N 0 0 209.358 3.762 20 0 BHADRN C[C@H]1Cc2cc(NCc3cccs3)ccc2O1 ZINC000846745899 588284396 /nfs/dbraw/zinc/28/43/96/588284396.db2.gz TXQZXOQKOXKCJM-JTQLQIEISA-N 0 0 245.347 3.684 20 0 BHADRN C[C@@H]1Cc2cc(NCc3cccs3)ccc2O1 ZINC000846745900 588284315 /nfs/dbraw/zinc/28/43/15/588284315.db2.gz TXQZXOQKOXKCJM-SNVBAGLBSA-N 0 0 245.347 3.684 20 0 BHADRN Cc1ccoc1CNc1ccc2c(c1)C[C@@H](C)O2 ZINC000846747447 588284556 /nfs/dbraw/zinc/28/45/56/588284556.db2.gz JXHQDJFORAIRLN-LLVKDONJSA-N 0 0 243.306 3.524 20 0 BHADRN Cc1ccoc1CNc1ccc2c(c1)C[C@H](C)O2 ZINC000846747448 588284636 /nfs/dbraw/zinc/28/46/36/588284636.db2.gz JXHQDJFORAIRLN-NSHDSACASA-N 0 0 243.306 3.524 20 0 BHADRN Cc1ccoc1CNc1cncc(C(F)F)c1 ZINC000846747553 588284551 /nfs/dbraw/zinc/28/45/51/588284551.db2.gz NAAAGNSZPRVYFF-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN FC(F)c1cncc(NC[C@H]2CC=CCC2)c1 ZINC000846748679 588284677 /nfs/dbraw/zinc/28/46/77/588284677.db2.gz WBTWFZFOAFEZSM-JTQLQIEISA-N 0 0 238.281 3.787 20 0 BHADRN FC(F)c1cncc(NC[C@@H]2CC=CCC2)c1 ZINC000846748680 588284560 /nfs/dbraw/zinc/28/45/60/588284560.db2.gz WBTWFZFOAFEZSM-SNVBAGLBSA-N 0 0 238.281 3.787 20 0 BHADRN Cc1cc([C@@H](C)Nc2nccs2)ccc1F ZINC000846748937 588284632 /nfs/dbraw/zinc/28/46/32/588284632.db2.gz OTBRUVYBXJFJHE-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN CCc1ccc(NCC2CCC(OC)CC2)cc1 ZINC000846749060 588284729 /nfs/dbraw/zinc/28/47/29/588284729.db2.gz ASDUXUPQYMMTME-UHFFFAOYSA-N 0 0 247.382 3.866 20 0 BHADRN COC1CCC(CNc2cccc(C)c2C)CC1 ZINC000846749083 588284190 /nfs/dbraw/zinc/28/41/90/588284190.db2.gz CAAPSCXDPSSTNW-UHFFFAOYSA-N 0 0 247.382 3.921 20 0 BHADRN COC1CCC(CNc2cccc(C)c2)CC1 ZINC000846749328 588284897 /nfs/dbraw/zinc/28/48/97/588284897.db2.gz HCBCTLMSBLAMBX-UHFFFAOYSA-N 0 0 233.355 3.612 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1nccs1 ZINC000846749363 588284739 /nfs/dbraw/zinc/28/47/39/588284739.db2.gz IAWGTVYRRWKZTB-JTQLQIEISA-N 0 0 210.346 3.690 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1nccs1 ZINC000846749365 588284787 /nfs/dbraw/zinc/28/47/87/588284787.db2.gz IAWGTVYRRWKZTB-SNVBAGLBSA-N 0 0 210.346 3.690 20 0 BHADRN CC1(C)C[C@@H](Nc2nccs2)c2ccccc21 ZINC000846749370 588284852 /nfs/dbraw/zinc/28/48/52/588284852.db2.gz YJFZSIGEYXMZMS-GFCCVEGCSA-N 0 0 244.363 3.978 20 0 BHADRN CC1(C)C[C@H](Nc2nccs2)c2ccccc21 ZINC000846749371 588284880 /nfs/dbraw/zinc/28/48/80/588284880.db2.gz YJFZSIGEYXMZMS-LBPRGKRZSA-N 0 0 244.363 3.978 20 0 BHADRN c1csc(N[C@H](Cc2ccccc2)C2CC2)n1 ZINC000846749502 588284885 /nfs/dbraw/zinc/28/48/85/588284885.db2.gz DPZAQQBPVNVVCK-CYBMUJFWSA-N 0 0 244.363 3.576 20 0 BHADRN c1csc(N[C@@H](Cc2ccccc2)C2CC2)n1 ZINC000846749503 588284723 /nfs/dbraw/zinc/28/47/23/588284723.db2.gz DPZAQQBPVNVVCK-ZDUSSCGKSA-N 0 0 244.363 3.576 20 0 BHADRN C[C@@H](Nc1nccs1)[C@@H](C)c1ccccc1 ZINC000846749634 588284913 /nfs/dbraw/zinc/28/49/13/588284913.db2.gz MXJYKRHQHSEFFM-GHMZBOCLSA-N 0 0 232.352 3.747 20 0 BHADRN C[C@H](Nc1nccs1)[C@@H](C)c1ccccc1 ZINC000846749636 588284900 /nfs/dbraw/zinc/28/49/00/588284900.db2.gz MXJYKRHQHSEFFM-MNOVXSKESA-N 0 0 232.352 3.747 20 0 BHADRN C[C@H](c1ccccc1)[C@H](C)Nc1nccs1 ZINC000846749637 588284869 /nfs/dbraw/zinc/28/48/69/588284869.db2.gz MXJYKRHQHSEFFM-QWRGUYRKSA-N 0 0 232.352 3.747 20 0 BHADRN C[C@@H](Nc1nccs1)[C@H](C)c1ccccc1 ZINC000846749638 588284791 /nfs/dbraw/zinc/28/47/91/588284791.db2.gz MXJYKRHQHSEFFM-WDEREUQCSA-N 0 0 232.352 3.747 20 0 BHADRN COC1CCC(CNc2ccccc2C)CC1 ZINC000846749657 588284748 /nfs/dbraw/zinc/28/47/48/588284748.db2.gz NOJKWSMTAIDSMF-UHFFFAOYSA-N 0 0 233.355 3.612 20 0 BHADRN CCc1ncc(CNc2ccccc2Cl)o1 ZINC000846749776 588285101 /nfs/dbraw/zinc/28/51/01/588285101.db2.gz IDMUYYZMSMZHCZ-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN CCCc1ccccc1NCc1cnc(CC)o1 ZINC000846749793 588284998 /nfs/dbraw/zinc/28/49/98/588284998.db2.gz JBMNCWLTBVWULQ-UHFFFAOYSA-N 0 0 244.338 3.802 20 0 BHADRN CCc1ncc(CNc2ccc(C(C)C)cc2)o1 ZINC000846749836 588284997 /nfs/dbraw/zinc/28/49/97/588284997.db2.gz KUTGMDYRVLBUON-UHFFFAOYSA-N 0 0 244.338 3.973 20 0 BHADRN COC1CCC(CNc2cc(C)cc(C)c2)CC1 ZINC000846749867 588285081 /nfs/dbraw/zinc/28/50/81/588285081.db2.gz QUNZTLPLECKTAY-UHFFFAOYSA-N 0 0 247.382 3.921 20 0 BHADRN Cc1cccc([C@@H](C)Nc2nccs2)c1C ZINC000846749869 588285073 /nfs/dbraw/zinc/28/50/73/588285073.db2.gz QUXIHIIKTHBMSR-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cccc([C@H](C)Nc2nccs2)c1C ZINC000846749871 588285155 /nfs/dbraw/zinc/28/51/55/588285155.db2.gz QUXIHIIKTHBMSR-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN COC1CCC(CNc2cc(C)ccc2C)CC1 ZINC000846749918 588285059 /nfs/dbraw/zinc/28/50/59/588285059.db2.gz SLWPYPRZZLDUHW-UHFFFAOYSA-N 0 0 247.382 3.921 20 0 BHADRN CCN(Cc1ccccn1)c1cccc(C)c1F ZINC000846750025 588285027 /nfs/dbraw/zinc/28/50/27/588285027.db2.gz LCQGNLMKJOKRSC-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCCc1ccc(NCc2cnc(CC)o2)cc1 ZINC000846750104 588285067 /nfs/dbraw/zinc/28/50/67/588285067.db2.gz MLTQGGDNPFBZIT-UHFFFAOYSA-N 0 0 244.338 3.802 20 0 BHADRN CCc1cccc(NCC2CCC(OC)CC2)c1 ZINC000846750255 588284985 /nfs/dbraw/zinc/28/49/85/588284985.db2.gz ZWUOAFSHLXEWJZ-UHFFFAOYSA-N 0 0 247.382 3.866 20 0 BHADRN CCc1ccccc1NCC1CCC(OC)CC1 ZINC000846750256 588285105 /nfs/dbraw/zinc/28/51/05/588285105.db2.gz ZXCIRDOAMPQZML-UHFFFAOYSA-N 0 0 247.382 3.866 20 0 BHADRN CS[C@@H]1CCC[C@@H](Nc2ccccc2)C1 ZINC000846750484 588285217 /nfs/dbraw/zinc/28/52/17/588285217.db2.gz QXPFWOKRWCCIAU-CHWSQXEVSA-N 0 0 221.369 3.773 20 0 BHADRN CS[C@H]1CCC[C@@H](Nc2ccccc2)C1 ZINC000846750486 588285177 /nfs/dbraw/zinc/28/51/77/588285177.db2.gz QXPFWOKRWCCIAU-OLZOCXBDSA-N 0 0 221.369 3.773 20 0 BHADRN CS[C@@H]1CCC[C@H](Nc2ccccc2)C1 ZINC000846750488 588285109 /nfs/dbraw/zinc/28/51/09/588285109.db2.gz QXPFWOKRWCCIAU-QWHCGFSZSA-N 0 0 221.369 3.773 20 0 BHADRN CS[C@H]1CCC[C@H](Nc2ccccc2)C1 ZINC000846750489 588284062 /nfs/dbraw/zinc/28/40/62/588284062.db2.gz QXPFWOKRWCCIAU-STQMWFEESA-N 0 0 221.369 3.773 20 0 BHADRN c1csc(N2CCC[C@@H](c3ccccc3)C2)n1 ZINC000846750589 588285324 /nfs/dbraw/zinc/28/53/24/588285324.db2.gz WODPGKBMKDDILN-CYBMUJFWSA-N 0 0 244.363 3.527 20 0 BHADRN c1csc(N2CCC[C@H](c3ccccc3)C2)n1 ZINC000846750591 588285294 /nfs/dbraw/zinc/28/52/94/588285294.db2.gz WODPGKBMKDDILN-ZDUSSCGKSA-N 0 0 244.363 3.527 20 0 BHADRN CC1(CNc2cncc(C(F)F)c2)CCC1 ZINC000846750810 588285340 /nfs/dbraw/zinc/28/53/40/588285340.db2.gz VGUQSUUAODNOHP-UHFFFAOYSA-N 0 0 226.270 3.621 20 0 BHADRN c1csc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 ZINC000846751306 588285206 /nfs/dbraw/zinc/28/52/06/588285206.db2.gz RGPHRQOXHHSJCM-GARJFASQSA-N 0 0 222.357 3.524 20 0 BHADRN c1csc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 ZINC000846751308 588285320 /nfs/dbraw/zinc/28/53/20/588285320.db2.gz RGPHRQOXHHSJCM-GMTAPVOTSA-N 0 0 222.357 3.524 20 0 BHADRN c1csc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC000846751310 588285367 /nfs/dbraw/zinc/28/53/67/588285367.db2.gz RGPHRQOXHHSJCM-HBNTYKKESA-N 0 0 222.357 3.524 20 0 BHADRN c1csc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 ZINC000846751312 588285265 /nfs/dbraw/zinc/28/52/65/588285265.db2.gz RGPHRQOXHHSJCM-OUAUKWLOSA-N 0 0 222.357 3.524 20 0 BHADRN c1csc(NCC2(Cc3ccccc3)CC2)n1 ZINC000846751350 588285261 /nfs/dbraw/zinc/28/52/61/588285261.db2.gz RYOHGWSZLTUIJG-UHFFFAOYSA-N 0 0 244.363 3.578 20 0 BHADRN Cc1ccc(N[C@@H](C2CC2)C2CCOCC2)cc1 ZINC000846751444 588285337 /nfs/dbraw/zinc/28/53/37/588285337.db2.gz FQTXKUSDCWEIMB-INIZCTEOSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(N[C@H](C2CC2)C2CCOCC2)cc1 ZINC000846751446 588285317 /nfs/dbraw/zinc/28/53/17/588285317.db2.gz FQTXKUSDCWEIMB-MRXNPFEDSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc2c(c1)[C@H](Nc1nccs1)CCC2 ZINC000846751690 588285517 /nfs/dbraw/zinc/28/55/17/588285517.db2.gz IYVLSKYQNDYKTK-CYBMUJFWSA-N 0 0 244.363 3.941 20 0 BHADRN Cc1cccc(N[C@@H](C2CC2)C2CCOCC2)c1 ZINC000846751731 588285417 /nfs/dbraw/zinc/28/54/17/588285417.db2.gz KATPYTMBJCMQII-INIZCTEOSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(N[C@H](C2CC2)C2CCOCC2)c1 ZINC000846751732 588285518 /nfs/dbraw/zinc/28/55/18/588285518.db2.gz KATPYTMBJCMQII-MRXNPFEDSA-N 0 0 245.366 3.612 20 0 BHADRN CC(C)c1cccc(CNc2nccs2)c1 ZINC000846751764 588285592 /nfs/dbraw/zinc/28/55/92/588285592.db2.gz KYXQJXFJQZXIOW-UHFFFAOYSA-N 0 0 232.352 3.879 20 0 BHADRN Fc1ccc(C2CC2)cc1CNc1nccs1 ZINC000846751959 588285461 /nfs/dbraw/zinc/28/54/61/588285461.db2.gz RVILXFGULMPGMU-UHFFFAOYSA-N 0 0 248.326 3.772 20 0 BHADRN Fc1cc(C2CC2)ccc1CNc1nccs1 ZINC000846751987 582665139 /nfs/dbraw/zinc/66/51/39/582665139.db2.gz UDHPTWSIAKLMPB-UHFFFAOYSA-N 0 0 248.326 3.772 20 0 BHADRN c1csc(N[C@@H]2C[C@@H](c3ccccc3)C2)n1 ZINC000846752236 588285430 /nfs/dbraw/zinc/28/54/30/588285430.db2.gz YZIPGEDYTOSKPS-HAQNSBGRSA-N 0 0 230.336 3.501 20 0 BHADRN Fc1cccc2c1CCC[C@H]2Nc1nccs1 ZINC000846752346 588285437 /nfs/dbraw/zinc/28/54/37/588285437.db2.gz IXUQVAMZHCTNTN-GFCCVEGCSA-N 0 0 248.326 3.772 20 0 BHADRN Fc1cccc2c1CCC[C@@H]2Nc1nccs1 ZINC000846752347 588285523 /nfs/dbraw/zinc/28/55/23/588285523.db2.gz IXUQVAMZHCTNTN-LBPRGKRZSA-N 0 0 248.326 3.772 20 0 BHADRN CCS[C@@H]1CCC[C@@H](Nc2nccs2)C1 ZINC000846752790 588285510 /nfs/dbraw/zinc/28/55/10/588285510.db2.gz BCAKPSNEKQYHTQ-NXEZZACHSA-N 0 0 242.413 3.619 20 0 BHADRN CCS[C@H]1CCC[C@H](Nc2nccs2)C1 ZINC000846752791 588285570 /nfs/dbraw/zinc/28/55/70/588285570.db2.gz BCAKPSNEKQYHTQ-UWVGGRQHSA-N 0 0 242.413 3.619 20 0 BHADRN CCS[C@@H]1CCC[C@H](Nc2nccs2)C1 ZINC000846752792 588284238 /nfs/dbraw/zinc/28/42/38/588284238.db2.gz BCAKPSNEKQYHTQ-VHSXEESVSA-N 0 0 242.413 3.619 20 0 BHADRN CCS[C@H]1CCC[C@@H](Nc2nccs2)C1 ZINC000846752793 588284176 /nfs/dbraw/zinc/28/41/76/588284176.db2.gz BCAKPSNEKQYHTQ-ZJUUUORDSA-N 0 0 242.413 3.619 20 0 BHADRN Fc1ccc2c(c1)[C@@H](Nc1nccs1)CCC2 ZINC000846753467 588285767 /nfs/dbraw/zinc/28/57/67/588285767.db2.gz NTPBCERGYIEYCZ-LBPRGKRZSA-N 0 0 248.326 3.772 20 0 BHADRN Cc1cscc1NC1CC2(CCC2)C1 ZINC000846753880 588285631 /nfs/dbraw/zinc/28/56/31/588285631.db2.gz BXSAJZZJUSTQCX-UHFFFAOYSA-N 0 0 207.342 3.801 20 0 BHADRN Cc1ccc2c(c1)[C@@H](Nc1nccs1)[C@H](C)C2 ZINC000846754149 588285831 /nfs/dbraw/zinc/28/58/31/588285831.db2.gz DCWYEPFIYPGJRZ-MFKMUULPSA-N 0 0 244.363 3.797 20 0 BHADRN Cc1ccc2c(c1)[C@@H](Nc1nccs1)CCC2 ZINC000846754221 588285744 /nfs/dbraw/zinc/28/57/44/588285744.db2.gz IYVLSKYQNDYKTK-ZDUSSCGKSA-N 0 0 244.363 3.941 20 0 BHADRN Fc1ccc2c(c1)[C@H](Nc1nccs1)CCC2 ZINC000846754426 588285745 /nfs/dbraw/zinc/28/57/45/588285745.db2.gz NTPBCERGYIEYCZ-GFCCVEGCSA-N 0 0 248.326 3.772 20 0 BHADRN CCCCC[C@@H]1CCCN1c1nccs1 ZINC000846754961 588285862 /nfs/dbraw/zinc/28/58/62/588285862.db2.gz AJYCYTQVZZJMRH-LLVKDONJSA-N 0 0 224.373 3.692 20 0 BHADRN CCCCC[C@H]1CCCN1c1nccs1 ZINC000846754962 588285990 /nfs/dbraw/zinc/28/59/90/588285990.db2.gz AJYCYTQVZZJMRH-NSHDSACASA-N 0 0 224.373 3.692 20 0 BHADRN C[C@H]1[C@@H](c2ccccc2)CCN1c1nccs1 ZINC000846754967 588285922 /nfs/dbraw/zinc/28/59/22/588285922.db2.gz AUWQPPVIMAUGBF-AAEUAGOBSA-N 0 0 244.363 3.526 20 0 BHADRN C[C@@H]1[C@H](c2ccccc2)CCN1c1nccs1 ZINC000846754968 588286019 /nfs/dbraw/zinc/28/60/19/588286019.db2.gz AUWQPPVIMAUGBF-DGCLKSJQSA-N 0 0 244.363 3.526 20 0 BHADRN C[C@H]1[C@H](c2ccccc2)CCN1c1nccs1 ZINC000846754969 588285950 /nfs/dbraw/zinc/28/59/50/588285950.db2.gz AUWQPPVIMAUGBF-WCQYABFASA-N 0 0 244.363 3.526 20 0 BHADRN C[C@@H]1[C@@H](c2ccccc2)CCN1c1nccs1 ZINC000846754970 588286032 /nfs/dbraw/zinc/28/60/32/588286032.db2.gz AUWQPPVIMAUGBF-YPMHNXCESA-N 0 0 244.363 3.526 20 0 BHADRN CCC[C@@H](C)[C@H]1CCCN1c1nccs1 ZINC000846754978 588286058 /nfs/dbraw/zinc/28/60/58/588286058.db2.gz AYXGASQZWVAKEE-GHMZBOCLSA-N 0 0 224.373 3.548 20 0 BHADRN CCC[C@@H](C)[C@@H]1CCCN1c1nccs1 ZINC000846754979 588285880 /nfs/dbraw/zinc/28/58/80/588285880.db2.gz AYXGASQZWVAKEE-MNOVXSKESA-N 0 0 224.373 3.548 20 0 BHADRN CCC[C@H](C)[C@@H]1CCCN1c1nccs1 ZINC000846754980 588285905 /nfs/dbraw/zinc/28/59/05/588285905.db2.gz AYXGASQZWVAKEE-QWRGUYRKSA-N 0 0 224.373 3.548 20 0 BHADRN CCC[C@H](C)[C@H]1CCCN1c1nccs1 ZINC000846754981 588285968 /nfs/dbraw/zinc/28/59/68/588285968.db2.gz AYXGASQZWVAKEE-WDEREUQCSA-N 0 0 224.373 3.548 20 0 BHADRN CC(C)CC[C@H]1CCCN1c1nccs1 ZINC000846755065 588285874 /nfs/dbraw/zinc/28/58/74/588285874.db2.gz DXCDCXZHNQWEFK-LLVKDONJSA-N 0 0 224.373 3.548 20 0 BHADRN CC(C)CC[C@@H]1CCCN1c1nccs1 ZINC000846755066 588285920 /nfs/dbraw/zinc/28/59/20/588285920.db2.gz DXCDCXZHNQWEFK-NSHDSACASA-N 0 0 224.373 3.548 20 0 BHADRN CC(C)C[C@H]1CCCCN1c1nccs1 ZINC000846755116 588285952 /nfs/dbraw/zinc/28/59/52/588285952.db2.gz HQHPCKDWWKWUAD-LLVKDONJSA-N 0 0 224.373 3.548 20 0 BHADRN CC(C)C[C@@H]1CCCCN1c1nccs1 ZINC000846755117 588285929 /nfs/dbraw/zinc/28/59/29/588285929.db2.gz HQHPCKDWWKWUAD-NSHDSACASA-N 0 0 224.373 3.548 20 0 BHADRN C[C@H]1C[C@H](c2ccccc2)CN1c1nccs1 ZINC000846755128 588285975 /nfs/dbraw/zinc/28/59/75/588285975.db2.gz IJEKZHPLFBVIQS-AAEUAGOBSA-N 0 0 244.363 3.526 20 0 BHADRN C[C@@H]1C[C@@H](c2ccccc2)CN1c1nccs1 ZINC000846755129 588285923 /nfs/dbraw/zinc/28/59/23/588285923.db2.gz IJEKZHPLFBVIQS-DGCLKSJQSA-N 0 0 244.363 3.526 20 0 BHADRN C[C@H]1C[C@@H](c2ccccc2)CN1c1nccs1 ZINC000846755130 588285940 /nfs/dbraw/zinc/28/59/40/588285940.db2.gz IJEKZHPLFBVIQS-WCQYABFASA-N 0 0 244.363 3.526 20 0 BHADRN C[C@@H]1C[C@H](c2ccccc2)CN1c1nccs1 ZINC000846755131 588285899 /nfs/dbraw/zinc/28/58/99/588285899.db2.gz IJEKZHPLFBVIQS-YPMHNXCESA-N 0 0 244.363 3.526 20 0 BHADRN C[C@H]1C[C@@H](c2ccccc2)N(c2nccs2)C1 ZINC000846755284 588285840 /nfs/dbraw/zinc/28/58/40/588285840.db2.gz KSLDIOZIBCDHKG-AAEUAGOBSA-N 0 0 244.363 3.731 20 0 BHADRN C[C@@H]1C[C@H](c2ccccc2)N(c2nccs2)C1 ZINC000846755286 588285851 /nfs/dbraw/zinc/28/58/51/588285851.db2.gz KSLDIOZIBCDHKG-DGCLKSJQSA-N 0 0 244.363 3.731 20 0 BHADRN C[C@H]1C[C@H](c2ccccc2)N(c2nccs2)C1 ZINC000846755288 588286056 /nfs/dbraw/zinc/28/60/56/588286056.db2.gz KSLDIOZIBCDHKG-WCQYABFASA-N 0 0 244.363 3.731 20 0 BHADRN C[C@@H]1C[C@@H](c2ccccc2)N(c2nccs2)C1 ZINC000846755290 588285926 /nfs/dbraw/zinc/28/59/26/588285926.db2.gz KSLDIOZIBCDHKG-YPMHNXCESA-N 0 0 244.363 3.731 20 0 BHADRN Fc1ccc([C@H]2C[C@H](Nc3nccs3)C2)cc1 ZINC000846755606 588286068 /nfs/dbraw/zinc/28/60/68/588286068.db2.gz KEQHHZIADSBLJA-UMSPYCQHSA-N 0 0 248.326 3.640 20 0 BHADRN C/C(=C/c1ccco1)C(=O)NC1CCCCCC1 ZINC000846764000 645407200 /nfs/dbraw/zinc/40/72/00/645407200.db2.gz DECCEVFRTSZEDS-QXMHVHEDSA-N 0 0 247.338 3.522 20 0 BHADRN C/C(=C\c1ccco1)C(=O)NC1CCCCCC1 ZINC000846764001 645406874 /nfs/dbraw/zinc/40/68/74/645406874.db2.gz DECCEVFRTSZEDS-VAWYXSNFSA-N 0 0 247.338 3.522 20 0 BHADRN CC(C)c1ccccc1CNc1cccnc1 ZINC000846773541 588287422 /nfs/dbraw/zinc/28/74/22/588287422.db2.gz IVJBNZOXGLGFAK-UHFFFAOYSA-N 0 0 226.323 3.817 20 0 BHADRN Cc1cc(NCc2ccccc2C(C)C)no1 ZINC000846773808 588287404 /nfs/dbraw/zinc/28/74/04/588287404.db2.gz KMNOBOAZTGCSFR-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN Cc1conc1NCc1ccccc1C(C)C ZINC000846775624 588287609 /nfs/dbraw/zinc/28/76/09/588287609.db2.gz RZVGRFBNIIAAMP-UHFFFAOYSA-N 0 0 230.311 3.719 20 0 BHADRN C/C(=C\c1ccco1)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000846801977 588289313 /nfs/dbraw/zinc/28/93/13/588289313.db2.gz OAQUGOHRNVHFBM-HCRIHEDKSA-N 0 0 249.354 3.576 20 0 BHADRN C/C(=C\c1ccco1)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000846801980 582665611 /nfs/dbraw/zinc/66/56/11/582665611.db2.gz OAQUGOHRNVHFBM-IIANPFDCSA-N 0 0 249.354 3.576 20 0 BHADRN C/C(=C/c1ccco1)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000846801989 582665934 /nfs/dbraw/zinc/66/59/34/582665934.db2.gz OAQUGOHRNVHFBM-NLYDNYMLSA-N 0 0 249.354 3.576 20 0 BHADRN C/C(=C/c1ccco1)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000846801995 582665883 /nfs/dbraw/zinc/66/58/83/582665883.db2.gz OAQUGOHRNVHFBM-WEHUKYGOSA-N 0 0 249.354 3.576 20 0 BHADRN CCCN(CC(C)C)C(=O)/C(C)=C/c1ccco1 ZINC000846807063 588290109 /nfs/dbraw/zinc/29/01/09/588290109.db2.gz LTFBXQXXNOXCLL-JLHYYAGUSA-N 0 0 249.354 3.578 20 0 BHADRN CCCN(CC(C)C)C(=O)/C(C)=C\c1ccco1 ZINC000846807064 588289816 /nfs/dbraw/zinc/28/98/16/588289816.db2.gz LTFBXQXXNOXCLL-RAXLEYEMSA-N 0 0 249.354 3.578 20 0 BHADRN C/C(=C/c1ccco1)C(=O)N(CC(C)C)C(C)C ZINC000846811460 588290613 /nfs/dbraw/zinc/29/06/13/588290613.db2.gz LSQYQJZURPLBDK-LCYFTJDESA-N 0 0 249.354 3.576 20 0 BHADRN C/C(=C\c1ccco1)C(=O)N(CC(C)C)C(C)C ZINC000846811462 588290590 /nfs/dbraw/zinc/29/05/90/588290590.db2.gz LSQYQJZURPLBDK-UKTHLTGXSA-N 0 0 249.354 3.576 20 0 BHADRN C/C(=C/c1ccco1)C(=O)NC1(C)CCCCC1 ZINC000846830065 588291653 /nfs/dbraw/zinc/29/16/53/588291653.db2.gz JLDMGJCPLJYZTG-QXMHVHEDSA-N 0 0 247.338 3.522 20 0 BHADRN C/C(=C\c1ccco1)C(=O)NC1(C)CCCCC1 ZINC000846830066 588291376 /nfs/dbraw/zinc/29/13/76/588291376.db2.gz JLDMGJCPLJYZTG-VAWYXSNFSA-N 0 0 247.338 3.522 20 0 BHADRN CCN(C(=O)/C(C)=C\c1ccco1)[C@H](C)C(C)C ZINC000846840704 588292723 /nfs/dbraw/zinc/29/27/23/588292723.db2.gz SSLHQQFIJQQQHT-KXXVWKPMSA-N 0 0 249.354 3.576 20 0 BHADRN CCN(C(=O)/C(C)=C/c1ccco1)[C@H](C)C(C)C ZINC000846840705 588292813 /nfs/dbraw/zinc/29/28/13/588292813.db2.gz SSLHQQFIJQQQHT-RSKUSDAESA-N 0 0 249.354 3.576 20 0 BHADRN CCN(C(=O)/C(C)=C\c1ccco1)[C@@H](C)C(C)C ZINC000846840706 588292584 /nfs/dbraw/zinc/29/25/84/588292584.db2.gz 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249.354 3.720 20 0 BHADRN CCC(CC)N(CC)C(=O)/C(C)=C/c1ccco1 ZINC000847053407 588305304 /nfs/dbraw/zinc/30/53/04/588305304.db2.gz OXYHJHALZXSANN-VAWYXSNFSA-N 0 0 249.354 3.720 20 0 BHADRN CCN(CC(C)(C)C)C(=O)/C(C)=C\c1ccco1 ZINC000847054886 588305330 /nfs/dbraw/zinc/30/53/30/588305330.db2.gz WXWDNFLOFCBRDR-BENRWUELSA-N 0 0 249.354 3.578 20 0 BHADRN CCN(CC(C)(C)C)C(=O)/C(C)=C/c1ccco1 ZINC000847054889 588305212 /nfs/dbraw/zinc/30/52/12/588305212.db2.gz WXWDNFLOFCBRDR-ZRDIBKRKSA-N 0 0 249.354 3.578 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)/C(C)=C\c1ccco1 ZINC000847062687 588305513 /nfs/dbraw/zinc/30/55/13/588305513.db2.gz ZQSGXLZWDWDNGM-HHQWOOOKSA-N 0 0 249.354 3.720 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)/C(C)=C/c1ccco1 ZINC000847062690 588305512 /nfs/dbraw/zinc/30/55/12/588305512.db2.gz ZQSGXLZWDWDNGM-XZHRJIJLSA-N 0 0 249.354 3.720 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)/C(C)=C\c1ccco1 ZINC000847062692 588305453 /nfs/dbraw/zinc/30/54/53/588305453.db2.gz ZQSGXLZWDWDNGM-YLGBQOPLSA-N 0 0 249.354 3.720 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)/C(C)=C/c1ccco1 ZINC000847062694 588305607 /nfs/dbraw/zinc/30/56/07/588305607.db2.gz ZQSGXLZWDWDNGM-YLSINNKHSA-N 0 0 249.354 3.720 20 0 BHADRN C/C(=C/c1ccco1)C(=O)NC(C)(C)C(C)(C)C ZINC000847062859 588305487 /nfs/dbraw/zinc/30/54/87/588305487.db2.gz IYQLPAXYOHBDMH-KHPPLWFESA-N 0 0 249.354 3.624 20 0 BHADRN CCC1(NC(=O)/C(C)=C\c2ccco2)CCCC1 ZINC000847063446 588305527 /nfs/dbraw/zinc/30/55/27/588305527.db2.gz CUYQJFIRXYSTDH-QXMHVHEDSA-N 0 0 247.338 3.522 20 0 BHADRN CCC1(NC(=O)/C(C)=C/c2ccco2)CCCC1 ZINC000847063450 588305565 /nfs/dbraw/zinc/30/55/65/588305565.db2.gz CUYQJFIRXYSTDH-VAWYXSNFSA-N 0 0 247.338 3.522 20 0 BHADRN C/C(=C\c1ccco1)C(=O)N[C@H](C)CC(C)(C)C ZINC000847072815 588305998 /nfs/dbraw/zinc/30/59/98/588305998.db2.gz CWGLFMNVOBDIRQ-LMMOQWNQSA-N 0 0 249.354 3.624 20 0 BHADRN C/C(=C/c1ccco1)C(=O)N[C@@H](C)CC(C)(C)C ZINC000847072816 588305964 /nfs/dbraw/zinc/30/59/64/588305964.db2.gz CWGLFMNVOBDIRQ-MMRAYRKESA-N 0 0 249.354 3.624 20 0 BHADRN C/C(=C/c1ccco1)C(=O)N[C@H](C)CC(C)(C)C ZINC000847072817 588305906 /nfs/dbraw/zinc/30/59/06/588305906.db2.gz CWGLFMNVOBDIRQ-UCQJPZFISA-N 0 0 249.354 3.624 20 0 BHADRN C/C(=C\c1ccco1)C(=O)N[C@@H](C)CC(C)(C)C ZINC000847072818 588306051 /nfs/dbraw/zinc/30/60/51/588306051.db2.gz CWGLFMNVOBDIRQ-ZKQHCESOSA-N 0 0 249.354 3.624 20 0 BHADRN C/C(=C/c1ccco1)C(=O)N(C)CCC(C)(C)C ZINC000847094487 645424340 /nfs/dbraw/zinc/42/43/40/645424340.db2.gz BDXJMTNRYURJIU-QXMHVHEDSA-N 0 0 249.354 3.578 20 0 BHADRN C/C(=C\c1ccco1)C(=O)N(C)CCC(C)(C)C ZINC000847094489 645424626 /nfs/dbraw/zinc/42/46/26/645424626.db2.gz BDXJMTNRYURJIU-VAWYXSNFSA-N 0 0 249.354 3.578 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC(C)(C)C(C)(F)F ZINC000847115373 588306704 /nfs/dbraw/zinc/30/67/04/588306704.db2.gz VCJIQNFCVDWRLT-CMDGGOBGSA-N 0 0 247.329 3.529 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC(C)(C)C(C)(F)F ZINC000847115374 588306794 /nfs/dbraw/zinc/30/67/94/588306794.db2.gz VCJIQNFCVDWRLT-HJWRWDBZSA-N 0 0 247.329 3.529 20 0 BHADRN CC(C)(F)C(=O)Oc1cccc2sccc21 ZINC000847117140 588306894 /nfs/dbraw/zinc/30/68/94/588306894.db2.gz DICGFYLZEPHNBB-UHFFFAOYSA-N 0 0 238.283 3.555 20 0 BHADRN CCCCCCC(=O)NC(C)(C)C(C)(F)F ZINC000847117692 588306822 /nfs/dbraw/zinc/30/68/22/588306822.db2.gz HAVRXNAPRANQHN-UHFFFAOYSA-N 0 0 235.318 3.507 20 0 BHADRN C/C(=C\C(=O)NC(C)(C)C(C)(F)F)C(C)(C)C ZINC000847118425 588306913 /nfs/dbraw/zinc/30/69/13/588306913.db2.gz JTCJCGXGVPHIQG-CMDGGOBGSA-N 0 0 247.329 3.529 20 0 BHADRN C/C(=C/C(=O)NC(C)(C)C(C)(F)F)C(C)(C)C ZINC000847118428 588306971 /nfs/dbraw/zinc/30/69/71/588306971.db2.gz JTCJCGXGVPHIQG-HJWRWDBZSA-N 0 0 247.329 3.529 20 0 BHADRN O=C(Oc1cccc2sccc21)[C@@H]1CC12CC2 ZINC000847119960 588306959 /nfs/dbraw/zinc/30/69/59/588306959.db2.gz SFLDNANMMXELSD-JTQLQIEISA-N 0 0 244.315 3.607 20 0 BHADRN O=C(Oc1cccc2sccc21)[C@H]1CC12CC2 ZINC000847119969 588306994 /nfs/dbraw/zinc/30/69/94/588306994.db2.gz SFLDNANMMXELSD-SNVBAGLBSA-N 0 0 244.315 3.607 20 0 BHADRN O=C(Oc1cccc(C2CCCC2)c1)C1(F)CC1 ZINC000847120912 588307018 /nfs/dbraw/zinc/30/70/18/588307018.db2.gz JWRBFDCICQTRFU-UHFFFAOYSA-N 0 0 248.297 3.752 20 0 BHADRN CC1(C(=O)Oc2cccc3sccc32)CC1 ZINC000847121011 588306910 /nfs/dbraw/zinc/30/69/10/588306910.db2.gz ZFDDLZUDGZBABR-UHFFFAOYSA-N 0 0 232.304 3.607 20 0 BHADRN C[C@@H](C(=O)Oc1cccc2sccc21)C1CC1 ZINC000847121094 588307013 /nfs/dbraw/zinc/30/70/13/588307013.db2.gz FNWVJVZOVRRXSY-SECBINFHSA-N 0 0 246.331 3.853 20 0 BHADRN C[C@H](C(=O)Oc1cccc2sccc21)C1CC1 ZINC000847121095 588306943 /nfs/dbraw/zinc/30/69/43/588306943.db2.gz FNWVJVZOVRRXSY-VIFPVBQESA-N 0 0 246.331 3.853 20 0 BHADRN O=C(Oc1cccc2sccc21)C1CCC1 ZINC000847121208 588307068 /nfs/dbraw/zinc/30/70/68/588307068.db2.gz GZZCDUDBLCHBDU-UHFFFAOYSA-N 0 0 232.304 3.607 20 0 BHADRN O=C(CC1CC1)Oc1cccc2sccc21 ZINC000847121824 588307023 /nfs/dbraw/zinc/30/70/23/588307023.db2.gz JVOATZJLWWXTFJ-UHFFFAOYSA-N 0 0 232.304 3.607 20 0 BHADRN O=C(Oc1cccc(C2CCCC2)c1)C(F)F ZINC000847121947 588307080 /nfs/dbraw/zinc/30/70/80/588307080.db2.gz QBLDAQZAADJZJJ-UHFFFAOYSA-N 0 0 240.249 3.515 20 0 BHADRN CCCC(=O)Oc1cccc2sccc21 ZINC000847122509 588306997 /nfs/dbraw/zinc/30/69/97/588306997.db2.gz NQHODXXCHVWIAS-UHFFFAOYSA-N 0 0 220.293 3.607 20 0 BHADRN CC[C@@H](C)C(=O)Oc1cccc2sccc21 ZINC000847123975 588306963 /nfs/dbraw/zinc/30/69/63/588306963.db2.gz WTTOYZPGPSLDFX-SECBINFHSA-N 0 0 234.320 3.853 20 0 BHADRN CC[C@H](C)C(=O)Oc1cccc2sccc21 ZINC000847123977 588307081 /nfs/dbraw/zinc/30/70/81/588307081.db2.gz WTTOYZPGPSLDFX-VIFPVBQESA-N 0 0 234.320 3.853 20 0 BHADRN CC(C)(C)C(=O)Oc1cccc2sccc21 ZINC000847124524 588306977 /nfs/dbraw/zinc/30/69/77/588306977.db2.gz ZQCUNQADXZIHIC-UHFFFAOYSA-N 0 0 234.320 3.853 20 0 BHADRN CC/C=C(\C)C(=O)N[C@H](CC)c1ccccc1F ZINC000847140895 588307517 /nfs/dbraw/zinc/30/75/17/588307517.db2.gz DQSIWNIXZHIUBX-BMGYJQCNSA-N 0 0 249.329 3.749 20 0 BHADRN CC/C=C(/C)C(=O)N[C@H](CC)c1ccccc1F ZINC000847140896 588307515 /nfs/dbraw/zinc/30/75/15/588307515.db2.gz DQSIWNIXZHIUBX-KOTGUFOOSA-N 0 0 249.329 3.749 20 0 BHADRN CC[C@@H](NC(=O)C(C)=C(C)C)c1ccccc1F ZINC000847142957 588307716 /nfs/dbraw/zinc/30/77/16/588307716.db2.gz AJICDZUMPGLHGC-CQSZACIVSA-N 0 0 249.329 3.749 20 0 BHADRN CC[C@@H](NC(=O)C=C1CCC1)c1ccccc1F ZINC000847143013 588307500 /nfs/dbraw/zinc/30/75/00/588307500.db2.gz BSPWCXRDLVOFHD-CQSZACIVSA-N 0 0 247.313 3.503 20 0 BHADRN C/C=C/C=C/C(=O)N[C@H](CC)c1ccccc1F ZINC000847143288 588307553 /nfs/dbraw/zinc/30/75/53/588307553.db2.gz TZYHAQGMEOIONC-OMDRAHKWSA-N 0 0 247.313 3.525 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](CC)c1ccccc1F ZINC000847143290 588307589 /nfs/dbraw/zinc/30/75/89/588307589.db2.gz TZYHAQGMEOIONC-WJHXZLAVSA-N 0 0 247.313 3.525 20 0 BHADRN C/C=C(/CC)C(=O)N[C@H](CC)c1ccccc1F ZINC000847144712 588307648 /nfs/dbraw/zinc/30/76/48/588307648.db2.gz KPDQOEJQVBPVEH-CNRJSHIUSA-N 0 0 249.329 3.749 20 0 BHADRN C/C=C(\CC)C(=O)N[C@H](CC)c1ccccc1F ZINC000847144713 588307701 /nfs/dbraw/zinc/30/77/01/588307701.db2.gz KPDQOEJQVBPVEH-MCRQLQJRSA-N 0 0 249.329 3.749 20 0 BHADRN CC/C(C)=C\C(=O)N[C@H](CC)c1ccccc1F ZINC000847146481 588307678 /nfs/dbraw/zinc/30/76/78/588307678.db2.gz ZPIJMBWWFONBNX-IWMPZKFUSA-N 0 0 249.329 3.749 20 0 BHADRN CC/C(C)=C/C(=O)N[C@H](CC)c1ccccc1F ZINC000847146482 588307687 /nfs/dbraw/zinc/30/76/87/588307687.db2.gz ZPIJMBWWFONBNX-PLSXKVAHSA-N 0 0 249.329 3.749 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NC1(C)CC=CC1 ZINC000847160029 588307996 /nfs/dbraw/zinc/30/79/96/588307996.db2.gz DRULJTMRKUWVKL-CYBMUJFWSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@H](CC)C(=O)NC1(C)CC=CC1 ZINC000847160031 588308024 /nfs/dbraw/zinc/30/80/24/588308024.db2.gz DRULJTMRKUWVKL-ZDUSSCGKSA-N 0 0 237.387 3.818 20 0 BHADRN CCCC(=CC(=O)NC1(C)CC=CC1)CCC ZINC000847160082 588308028 /nfs/dbraw/zinc/30/80/28/588308028.db2.gz FRRIKTGIRMSMOW-UHFFFAOYSA-N 0 0 235.371 3.738 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NC1(C)CC=CC1 ZINC000847160103 588307972 /nfs/dbraw/zinc/30/79/72/588307972.db2.gz GLCOVNFEACQQCZ-CYBMUJFWSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCCC[C@H](C)C(=O)NC1(C)CC=CC1 ZINC000847160104 588307979 /nfs/dbraw/zinc/30/79/79/588307979.db2.gz GLCOVNFEACQQCZ-ZDUSSCGKSA-N 0 0 237.387 3.818 20 0 BHADRN CC1(NC(=O)C2CCCCCCC2)CC=CC1 ZINC000847162117 588308042 /nfs/dbraw/zinc/30/80/42/588308042.db2.gz VVYAMRLYGPHPGY-UHFFFAOYSA-N 0 0 235.371 3.572 20 0 BHADRN C/C=C\C(=O)Nc1ccccc1OCCC(C)C ZINC000847164084 588308221 /nfs/dbraw/zinc/30/82/21/588308221.db2.gz AXATZXTXCSAPQG-DAXSKMNVSA-N 0 0 247.338 3.626 20 0 BHADRN C/C=C/C(=O)Nc1ccccc1OCCC(C)C ZINC000847164086 588308200 /nfs/dbraw/zinc/30/82/00/588308200.db2.gz AXATZXTXCSAPQG-QPJJXVBHSA-N 0 0 247.338 3.626 20 0 BHADRN CCCN(C(=O)C=C1CCCCC1)C(C)C ZINC000847170391 588308424 /nfs/dbraw/zinc/30/84/24/588308424.db2.gz ASUQIHGABGDUDT-UHFFFAOYSA-N 0 0 223.360 3.524 20 0 BHADRN CCCN(C(=O)c1ccc(CC)s1)C(C)C ZINC000847172229 588308540 /nfs/dbraw/zinc/30/85/40/588308540.db2.gz LETBSLBAIFIBFF-UHFFFAOYSA-N 0 0 239.384 3.571 20 0 BHADRN CCCN(C(=O)/C=C(/C)C(C)(C)C)C(C)C ZINC000847172475 588308391 /nfs/dbraw/zinc/30/83/91/588308391.db2.gz OIBNYKBJJWOZLN-BENRWUELSA-N 0 0 225.376 3.626 20 0 BHADRN CCCN(C(=O)/C=C(\C)C(C)(C)C)C(C)C ZINC000847172477 588308392 /nfs/dbraw/zinc/30/83/92/588308392.db2.gz OIBNYKBJJWOZLN-ZRDIBKRKSA-N 0 0 225.376 3.626 20 0 BHADRN CCCN(C(=O)/C(C)=C\C(C)(C)C)C(C)C ZINC000847172575 588308416 /nfs/dbraw/zinc/30/84/16/588308416.db2.gz OUZUIJDGAYQGMU-BENRWUELSA-N 0 0 225.376 3.626 20 0 BHADRN CCCN(C(=O)/C(C)=C/C(C)(C)C)C(C)C ZINC000847172577 588308522 /nfs/dbraw/zinc/30/85/22/588308522.db2.gz OUZUIJDGAYQGMU-ZRDIBKRKSA-N 0 0 225.376 3.626 20 0 BHADRN CCCN(C(=O)/C=C(/C)c1ccccc1)C(C)C ZINC000847173569 588308741 /nfs/dbraw/zinc/30/87/41/588308741.db2.gz QLNNJQWLRBHKOD-OWBHPGMISA-N 0 0 245.366 3.737 20 0 BHADRN CCCN(C(=O)/C=C(\C)c1ccccc1)C(C)C ZINC000847173572 588308645 /nfs/dbraw/zinc/30/86/45/588308645.db2.gz QLNNJQWLRBHKOD-WYMLVPIESA-N 0 0 245.366 3.737 20 0 BHADRN CCCCCCC(=O)N(CCC)C(C)C ZINC000847175169 588308704 /nfs/dbraw/zinc/30/87/04/588308704.db2.gz VFHLOLKZNPFULC-UHFFFAOYSA-N 0 0 213.365 3.604 20 0 BHADRN C/C=C(\C)C(=O)Nc1ccc(Cl)c(C)c1 ZINC000847241395 588309666 /nfs/dbraw/zinc/30/96/66/588309666.db2.gz APOVOXNHNFPEMP-XBXARRHUSA-N 0 0 223.703 3.553 20 0 BHADRN C/C=C(/C)C(=O)Nc1ccc(Cl)c(C)c1 ZINC000847241396 588309589 /nfs/dbraw/zinc/30/95/89/588309589.db2.gz APOVOXNHNFPEMP-YWEYNIOJSA-N 0 0 223.703 3.553 20 0 BHADRN Cc1cc(NC(=O)/C=C\C2CC2)ccc1Cl ZINC000847241760 588309635 /nfs/dbraw/zinc/30/96/35/588309635.db2.gz NLNBMKJVUQIVCS-DAXSKMNVSA-N 0 0 235.714 3.553 20 0 BHADRN Cc1cc(NC(=O)/C=C/C2CC2)ccc1Cl ZINC000847241761 588309651 /nfs/dbraw/zinc/30/96/51/588309651.db2.gz NLNBMKJVUQIVCS-QPJJXVBHSA-N 0 0 235.714 3.553 20 0 BHADRN Cc1cc(NC(=O)C=C2CCC2)ccc1Cl ZINC000847242510 588309623 /nfs/dbraw/zinc/30/96/23/588309623.db2.gz XPIQRVJTENRAHV-UHFFFAOYSA-N 0 0 235.714 3.697 20 0 BHADRN CC(C)=CC(=O)Nc1ccc(Cl)c(C)c1 ZINC000847242590 588309639 /nfs/dbraw/zinc/30/96/39/588309639.db2.gz ZFJBDHXOSODGIC-UHFFFAOYSA-N 0 0 223.703 3.553 20 0 BHADRN C[Si](C)(C)CCCC(=O)N1CCCCCC1 ZINC000847281199 588310099 /nfs/dbraw/zinc/31/00/99/588310099.db2.gz WMDANANOHUCBGX-UHFFFAOYSA-N 0 0 241.451 3.507 20 0 BHADRN C[C@@H]1CCCCN1C(=O)CCC[Si](C)(C)C ZINC000847285696 588310393 /nfs/dbraw/zinc/31/03/93/588310393.db2.gz RQTOWWPQCYFKNQ-GFCCVEGCSA-N 0 0 241.451 3.506 20 0 BHADRN C[C@H]1CCCCN1C(=O)CCC[Si](C)(C)C ZINC000847285697 588310324 /nfs/dbraw/zinc/31/03/24/588310324.db2.gz RQTOWWPQCYFKNQ-LBPRGKRZSA-N 0 0 241.451 3.506 20 0 BHADRN CN(C(=O)CCC[Si](C)(C)C)C1CCCC1 ZINC000847309851 588310622 /nfs/dbraw/zinc/31/06/22/588310622.db2.gz DUQQZTSUFVMXJH-UHFFFAOYSA-N 0 0 241.451 3.506 20 0 BHADRN CC1(NC(=O)CCC[Si](C)(C)C)CCCC1 ZINC000847388657 588312100 /nfs/dbraw/zinc/31/21/00/588312100.db2.gz GTGSQJSKJOKYTJ-UHFFFAOYSA-N 0 0 241.451 3.554 20 0 BHADRN CC[C@@H]1CCCN1C(=O)CCC[Si](C)(C)C ZINC000847433016 588313115 /nfs/dbraw/zinc/31/31/15/588313115.db2.gz VPPSUGXFQDEFMB-GFCCVEGCSA-N 0 0 241.451 3.506 20 0 BHADRN CC[C@H]1CCCN1C(=O)CCC[Si](C)(C)C ZINC000847433017 588313089 /nfs/dbraw/zinc/31/30/89/588313089.db2.gz VPPSUGXFQDEFMB-LBPRGKRZSA-N 0 0 241.451 3.506 20 0 BHADRN CC(C)N(C(=O)CCC[Si](C)(C)C)C1CC1 ZINC000847435013 588313227 /nfs/dbraw/zinc/31/32/27/588313227.db2.gz RIUFCBUCPQIDKG-UHFFFAOYSA-N 0 0 241.451 3.504 20 0 BHADRN CC1(C)CCCN1C(=O)CCC[Si](C)(C)C ZINC000847435554 588313113 /nfs/dbraw/zinc/31/31/13/588313113.db2.gz NCSIBLJBHKLMQV-UHFFFAOYSA-N 0 0 241.451 3.506 20 0 BHADRN C[Si](C)(C)CCCC(=O)Nc1ccsc1 ZINC000847504115 588314725 /nfs/dbraw/zinc/31/47/25/588314725.db2.gz ANGASECUICQQQX-UHFFFAOYSA-N 0 0 241.432 3.805 20 0 BHADRN CCN(C(=O)CCC[Si](C)(C)C)C1CCC1 ZINC000847512568 588315230 /nfs/dbraw/zinc/31/52/30/588315230.db2.gz YWCNUGRLNGWZBC-UHFFFAOYSA-N 0 0 241.451 3.506 20 0 BHADRN CC1(C)CCN1C(=O)CCC1CCCCCC1 ZINC000847515861 588315377 /nfs/dbraw/zinc/31/53/77/588315377.db2.gz WIBKQRNEKBRXHX-UHFFFAOYSA-N 0 0 237.387 3.748 20 0 BHADRN CCC1(NC(=O)CCC[Si](C)(C)C)CCC1 ZINC000847544875 588316434 /nfs/dbraw/zinc/31/64/34/588316434.db2.gz CRNULQAIGIAXTF-UHFFFAOYSA-N 0 0 241.451 3.554 20 0 BHADRN C[C@H]1CC[C@H](C)N1C(=O)CCC[Si](C)(C)C ZINC000847568314 588317091 /nfs/dbraw/zinc/31/70/91/588317091.db2.gz XPKDAEKUCRVWCR-RYUDHWBXSA-N 0 0 241.451 3.504 20 0 BHADRN C[C@@H]1CC[C@H](C)N1C(=O)CCC[Si](C)(C)C ZINC000847568315 588317090 /nfs/dbraw/zinc/31/70/90/588317090.db2.gz XPKDAEKUCRVWCR-TXEJJXNPSA-N 0 0 241.451 3.504 20 0 BHADRN C[C@@H]1CC[C@@H](C)N1C(=O)CCC[Si](C)(C)C ZINC000847568316 588317253 /nfs/dbraw/zinc/31/72/53/588317253.db2.gz XPKDAEKUCRVWCR-VXGBXAGGSA-N 0 0 241.451 3.504 20 0 BHADRN CC(C)COC(=O)c1ccc(C(F)F)cc1F ZINC000847628191 588320092 /nfs/dbraw/zinc/32/00/92/588320092.db2.gz ZAZQTKRCOAIXQM-UHFFFAOYSA-N 0 0 246.228 3.576 20 0 BHADRN CCCCCCOC(=O)/C(C)=C/c1cccnc1 ZINC000847628368 588319932 /nfs/dbraw/zinc/31/99/32/588319932.db2.gz PITRZPLYUZOGFQ-ACCUITESSA-N 0 0 247.338 3.608 20 0 BHADRN CCCCCCOC(=O)/C(C)=C\c1cccnc1 ZINC000847628369 588320043 /nfs/dbraw/zinc/32/00/43/588320043.db2.gz PITRZPLYUZOGFQ-QBFSEMIESA-N 0 0 247.338 3.608 20 0 BHADRN CCCCCCOC(=O)/C(C)=C/c1ccccn1 ZINC000847628797 588320068 /nfs/dbraw/zinc/32/00/68/588320068.db2.gz XFYUMKDQCJIDTB-OUKQBFOZSA-N 0 0 247.338 3.608 20 0 BHADRN CCCCCCOC(=O)/C(C)=C\c1ccccn1 ZINC000847628798 588319940 /nfs/dbraw/zinc/31/99/40/588319940.db2.gz XFYUMKDQCJIDTB-SEYXRHQNSA-N 0 0 247.338 3.608 20 0 BHADRN CCCCCCOC(=O)/C(C)=C/c1ccncc1 ZINC000847628873 588320115 /nfs/dbraw/zinc/32/01/15/588320115.db2.gz ZNUVYFCVEFVZFK-OUKQBFOZSA-N 0 0 247.338 3.608 20 0 BHADRN CCCCCCOC(=O)/C(C)=C\c1ccncc1 ZINC000847628874 588320133 /nfs/dbraw/zinc/32/01/33/588320133.db2.gz ZNUVYFCVEFVZFK-SEYXRHQNSA-N 0 0 247.338 3.608 20 0 BHADRN CCCCOC(=O)c1ccc(C(F)F)cc1F ZINC000847629124 588319412 /nfs/dbraw/zinc/31/94/12/588319412.db2.gz UBBOCTKSIGWOOR-UHFFFAOYSA-N 0 0 246.228 3.720 20 0 BHADRN CC[C@@H](C)OC(=O)c1ccc(C(F)F)cc1F ZINC000847631149 588320567 /nfs/dbraw/zinc/32/05/67/588320567.db2.gz BJRJJYFDIYGYDW-SSDOTTSWSA-N 0 0 246.228 3.719 20 0 BHADRN CC[C@H](C)OC(=O)c1ccc(C(F)F)cc1F ZINC000847631150 588320354 /nfs/dbraw/zinc/32/03/54/588320354.db2.gz BJRJJYFDIYGYDW-ZETCQYMHSA-N 0 0 246.228 3.719 20 0 BHADRN C/C(=C/c1ccco1)C(=O)OC1(C)CCCC1 ZINC000847660763 588324249 /nfs/dbraw/zinc/32/42/49/588324249.db2.gz YCGMKUPARGFZMA-KHPPLWFESA-N 0 0 234.295 3.559 20 0 BHADRN C/C(=C\c1ccco1)C(=O)OC1(C)CCCC1 ZINC000847660764 588324341 /nfs/dbraw/zinc/32/43/41/588324341.db2.gz YCGMKUPARGFZMA-ZHACJKMWSA-N 0 0 234.295 3.559 20 0 BHADRN CCCC[C@@H](C)OC(=O)/C(C)=C\c1cccnc1 ZINC000847663592 588324537 /nfs/dbraw/zinc/32/45/37/588324537.db2.gz JUBLPTXWFLPRBR-KXXVWKPMSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@@H](C)OC(=O)/C(C)=C/c1cccnc1 ZINC000847663593 588324511 /nfs/dbraw/zinc/32/45/11/588324511.db2.gz JUBLPTXWFLPRBR-RSKUSDAESA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@H](C)OC(=O)/C(C)=C\c1cccnc1 ZINC000847663594 588324672 /nfs/dbraw/zinc/32/46/72/588324672.db2.gz JUBLPTXWFLPRBR-UKVQZPPCSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@H](C)OC(=O)/C(C)=C/c1cccnc1 ZINC000847663595 588324521 /nfs/dbraw/zinc/32/45/21/588324521.db2.gz JUBLPTXWFLPRBR-XSNHNAGMSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@@H](CC)OC(=O)/C(C)=C/c1ccncc1 ZINC000847663759 588324722 /nfs/dbraw/zinc/32/47/22/588324722.db2.gz MMEFTIILEYGFMB-GCZGRYASSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@H](CC)OC(=O)/C(C)=C/c1ccncc1 ZINC000847663760 588324426 /nfs/dbraw/zinc/32/44/26/588324426.db2.gz MMEFTIILEYGFMB-GETOMWPZSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@H](CC)OC(=O)/C(C)=C\c1ccncc1 ZINC000847663761 588324629 /nfs/dbraw/zinc/32/46/29/588324629.db2.gz MMEFTIILEYGFMB-NYHXXUGCSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@@H](CC)OC(=O)/C(C)=C\c1ccncc1 ZINC000847663762 588324613 /nfs/dbraw/zinc/32/46/13/588324613.db2.gz MMEFTIILEYGFMB-XMXAVACDSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@@H](CC)OC(=O)/C(C)=C\c1cccnc1 ZINC000847663950 588324429 /nfs/dbraw/zinc/32/44/29/588324429.db2.gz RLULVZDJAJNSDZ-GAJOTYCWSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@H](CC)OC(=O)/C(C)=C\c1cccnc1 ZINC000847663951 588324504 /nfs/dbraw/zinc/32/45/04/588324504.db2.gz RLULVZDJAJNSDZ-HCYCVZQXSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@@H](CC)OC(=O)/C(C)=C/c1cccnc1 ZINC000847663952 588324715 /nfs/dbraw/zinc/32/47/15/588324715.db2.gz RLULVZDJAJNSDZ-IEZBTEQYSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@H](CC)OC(=O)/C(C)=C/c1cccnc1 ZINC000847663953 588324422 /nfs/dbraw/zinc/32/44/22/588324422.db2.gz RLULVZDJAJNSDZ-WONIAPNHSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@@H](CC)OC(=O)/C(C)=C/c1ccccn1 ZINC000847664098 588324666 /nfs/dbraw/zinc/32/46/66/588324666.db2.gz VOWXHDIHIZMZAA-GCZGRYASSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@H](CC)OC(=O)/C(C)=C/c1ccccn1 ZINC000847664099 588324611 /nfs/dbraw/zinc/32/46/11/588324611.db2.gz VOWXHDIHIZMZAA-GETOMWPZSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@H](CC)OC(=O)/C(C)=C\c1ccccn1 ZINC000847664100 588324716 /nfs/dbraw/zinc/32/47/16/588324716.db2.gz VOWXHDIHIZMZAA-NYHXXUGCSA-N 0 0 247.338 3.607 20 0 BHADRN CCC[C@@H](CC)OC(=O)/C(C)=C\c1ccccn1 ZINC000847664101 588324435 /nfs/dbraw/zinc/32/44/35/588324435.db2.gz VOWXHDIHIZMZAA-XMXAVACDSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@H](C)OC(=O)/C(C)=C\c1ccccn1 ZINC000847664107 588324752 /nfs/dbraw/zinc/32/47/52/588324752.db2.gz VVOGFAMYNRFGFC-HHQWOOOKSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@@H](C)OC(=O)/C(C)=C/c1ccccn1 ZINC000847664108 588324566 /nfs/dbraw/zinc/32/45/66/588324566.db2.gz VVOGFAMYNRFGFC-XZHRJIJLSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@@H](C)OC(=O)/C(C)=C\c1ccccn1 ZINC000847664109 588324424 /nfs/dbraw/zinc/32/44/24/588324424.db2.gz VVOGFAMYNRFGFC-YLGBQOPLSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@H](C)OC(=O)/C(C)=C/c1ccccn1 ZINC000847664110 588324777 /nfs/dbraw/zinc/32/47/77/588324777.db2.gz VVOGFAMYNRFGFC-YLSINNKHSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@H](C)OC(=O)/C(C)=C\c1ccncc1 ZINC000847664118 588324781 /nfs/dbraw/zinc/32/47/81/588324781.db2.gz WDGFDVYSBJJQDH-HHQWOOOKSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@@H](C)OC(=O)/C(C)=C/c1ccncc1 ZINC000847664119 588324709 /nfs/dbraw/zinc/32/47/09/588324709.db2.gz WDGFDVYSBJJQDH-XZHRJIJLSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@@H](C)OC(=O)/C(C)=C\c1ccncc1 ZINC000847664120 588324639 /nfs/dbraw/zinc/32/46/39/588324639.db2.gz WDGFDVYSBJJQDH-YLGBQOPLSA-N 0 0 247.338 3.607 20 0 BHADRN CCCC[C@H](C)OC(=O)/C(C)=C/c1ccncc1 ZINC000847664121 588324750 /nfs/dbraw/zinc/32/47/50/588324750.db2.gz WDGFDVYSBJJQDH-YLSINNKHSA-N 0 0 247.338 3.607 20 0 BHADRN C/C(=C/c1ccco1)C(=O)O[C@@H]1CCC12CCC2 ZINC000847732065 588327661 /nfs/dbraw/zinc/32/76/61/588327661.db2.gz NEQPTULBBQVICS-BSYHEUMXSA-N 0 0 246.306 3.559 20 0 BHADRN C/C(=C\c1ccco1)C(=O)O[C@H]1CCC12CCC2 ZINC000847732067 588328165 /nfs/dbraw/zinc/32/81/65/588328165.db2.gz NEQPTULBBQVICS-NHAQELONSA-N 0 0 246.306 3.559 20 0 BHADRN C/C(=C\c1ccco1)C(=O)O[C@@H]1CCC12CCC2 ZINC000847732070 588328312 /nfs/dbraw/zinc/32/83/12/588328312.db2.gz NEQPTULBBQVICS-OCHBPSSRSA-N 0 0 246.306 3.559 20 0 BHADRN C/C(=C/c1ccco1)C(=O)O[C@H]1CCC12CCC2 ZINC000847732072 588328222 /nfs/dbraw/zinc/32/82/22/588328222.db2.gz NEQPTULBBQVICS-OEYXZAGESA-N 0 0 246.306 3.559 20 0 BHADRN CC[C@@H](CCC(C)C)OC(=O)c1cncs1 ZINC000847740237 588328528 /nfs/dbraw/zinc/32/85/28/588328528.db2.gz NKWPNDARXIVFEV-JTQLQIEISA-N 0 0 241.356 3.515 20 0 BHADRN CC[C@H](CCC(C)C)OC(=O)c1cncs1 ZINC000847740238 588328642 /nfs/dbraw/zinc/32/86/42/588328642.db2.gz NKWPNDARXIVFEV-SNVBAGLBSA-N 0 0 241.356 3.515 20 0 BHADRN CC[C@@H](CCC(C)C)OC(=O)[C@H]1C[C@@H]1C(F)F ZINC000847740503 588328554 /nfs/dbraw/zinc/32/85/54/588328554.db2.gz PWQXRDRBGRAELM-DCAQKATOSA-N 0 0 248.313 3.646 20 0 BHADRN CC[C@H](CCC(C)C)OC(=O)[C@H]1C[C@@H]1C(F)F ZINC000847740504 588328458 /nfs/dbraw/zinc/32/84/58/588328458.db2.gz PWQXRDRBGRAELM-VWYCJHECSA-N 0 0 248.313 3.646 20 0 BHADRN CC[C@@H](CCC(C)C)OC(=O)CCC(F)F ZINC000847740867 588328482 /nfs/dbraw/zinc/32/84/82/588328482.db2.gz UGTQEILHJCYVID-JTQLQIEISA-N 0 0 236.302 3.790 20 0 BHADRN CC[C@H](CCC(C)C)OC(=O)CCC(F)F ZINC000847740868 588328670 /nfs/dbraw/zinc/32/86/70/588328670.db2.gz UGTQEILHJCYVID-SNVBAGLBSA-N 0 0 236.302 3.790 20 0 BHADRN CC[C@H](CCC(C)C)OC(=O)C1CC(F)(F)C1 ZINC000847742032 588328487 /nfs/dbraw/zinc/32/84/87/588328487.db2.gz FKTCFEQKUFKQDP-LLVKDONJSA-N 0 0 248.313 3.790 20 0 BHADRN CC[C@@H](CCC(C)C)OC(=O)C1CC(F)(F)C1 ZINC000847742033 588328782 /nfs/dbraw/zinc/32/87/82/588328782.db2.gz FKTCFEQKUFKQDP-NSHDSACASA-N 0 0 248.313 3.790 20 0 BHADRN CC[C@@H](CCC(C)C)OC(=O)c1nccs1 ZINC000847742718 588328681 /nfs/dbraw/zinc/32/86/81/588328681.db2.gz PUYRHVUMJHOAPV-JTQLQIEISA-N 0 0 241.356 3.515 20 0 BHADRN CC[C@H](CCC(C)C)OC(=O)c1nccs1 ZINC000847742719 588328695 /nfs/dbraw/zinc/32/86/95/588328695.db2.gz PUYRHVUMJHOAPV-SNVBAGLBSA-N 0 0 241.356 3.515 20 0 BHADRN CC[C@@H](CCC(C)C)OC(=O)c1cscn1 ZINC000847743529 588329210 /nfs/dbraw/zinc/32/92/10/588329210.db2.gz VWILJGPNMLMHLH-JTQLQIEISA-N 0 0 241.356 3.515 20 0 BHADRN CC[C@H](CCC(C)C)OC(=O)c1cscn1 ZINC000847743530 588329284 /nfs/dbraw/zinc/32/92/84/588329284.db2.gz VWILJGPNMLMHLH-SNVBAGLBSA-N 0 0 241.356 3.515 20 0 BHADRN CC[C@H](CCC(C)C)OC(=O)CCCC(C)=O ZINC000847743807 588329149 /nfs/dbraw/zinc/32/91/49/588329149.db2.gz XLGWQWGUBVVAKO-CYBMUJFWSA-N 0 0 242.359 3.504 20 0 BHADRN CC[C@@H](CCC(C)C)OC(=O)CCCC(C)=O ZINC000847743808 588328851 /nfs/dbraw/zinc/32/88/51/588328851.db2.gz XLGWQWGUBVVAKO-ZDUSSCGKSA-N 0 0 242.359 3.504 20 0 BHADRN C[C@@H](OC(=O)CCC(C)(F)F)C1CCCC1 ZINC000847801250 588329454 /nfs/dbraw/zinc/32/94/54/588329454.db2.gz HWNGBICTLGGKDR-SECBINFHSA-N 0 0 234.286 3.544 20 0 BHADRN C[C@H](CC(=O)O[C@H](C)C1CCCC1)n1cccc1 ZINC000847801849 588331849 /nfs/dbraw/zinc/33/18/49/588331849.db2.gz FTSKDQBPZFVYPI-CHWSQXEVSA-N 0 0 249.354 3.561 20 0 BHADRN C[C@@H](OC(=O)C[C@H](C)n1cccc1)C1CCCC1 ZINC000847801850 588331665 /nfs/dbraw/zinc/33/16/65/588331665.db2.gz FTSKDQBPZFVYPI-QWHCGFSZSA-N 0 0 249.354 3.561 20 0 BHADRN C[C@@H](OC(=O)[C@H](C)c1ccco1)C1CCCC1 ZINC000847802100 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3.647 20 0 BHADRN C/C=C(/CC)C(=O)OCC(C)(C)CC(F)F ZINC000847996434 588346981 /nfs/dbraw/zinc/34/69/81/588346981.db2.gz FFGUJWUJUGSNGX-UITAMQMPSA-N 0 0 234.286 3.567 20 0 BHADRN C/C=C(\CC)C(=O)OCC(C)(C)CC(F)F ZINC000847996438 588346592 /nfs/dbraw/zinc/34/65/92/588346592.db2.gz FFGUJWUJUGSNGX-WEVVVXLNSA-N 0 0 234.286 3.567 20 0 BHADRN CC(C)(COC(=O)C1=CCCCC1)CC(F)F ZINC000847996488 588346752 /nfs/dbraw/zinc/34/67/52/588346752.db2.gz GKUDVGDDMIHKPQ-UHFFFAOYSA-N 0 0 246.297 3.711 20 0 BHADRN CC[C@@H](C)CC(=O)OCC(C)(C)CC(F)F ZINC000847996526 588346609 /nfs/dbraw/zinc/34/66/09/588346609.db2.gz IBQJHFPENCDQJA-SECBINFHSA-N 0 0 236.302 3.647 20 0 BHADRN CC[C@H](C)CC(=O)OCC(C)(C)CC(F)F ZINC000847996530 588346727 /nfs/dbraw/zinc/34/67/27/588346727.db2.gz IBQJHFPENCDQJA-VIFPVBQESA-N 0 0 236.302 3.647 20 0 BHADRN CC(C)[C@H]1C[C@H]1C(=O)OCC(C)(C)CC(F)F ZINC000847997133 582746587 /nfs/dbraw/zinc/74/65/87/582746587.db2.gz PACRHEJVGOIQBA-NXEZZACHSA-N 0 0 248.313 3.503 20 0 BHADRN CC(C)[C@@H]1C[C@@H]1C(=O)OCC(C)(C)CC(F)F ZINC000847997137 582746780 /nfs/dbraw/zinc/74/67/80/582746780.db2.gz PACRHEJVGOIQBA-UWVGGRQHSA-N 0 0 248.313 3.503 20 0 BHADRN CC(C)[C@@H]1C[C@H]1C(=O)OCC(C)(C)CC(F)F ZINC000847997139 582746762 /nfs/dbraw/zinc/74/67/62/582746762.db2.gz PACRHEJVGOIQBA-VHSXEESVSA-N 0 0 248.313 3.503 20 0 BHADRN CC(C)[C@H]1C[C@@H]1C(=O)OCC(C)(C)CC(F)F ZINC000847997141 582746488 /nfs/dbraw/zinc/74/64/88/582746488.db2.gz PACRHEJVGOIQBA-ZJUUUORDSA-N 0 0 248.313 3.503 20 0 BHADRN O=C(/C=C/c1ccco1)OC1(C2CCCC2)CC1 ZINC000848016877 588348185 /nfs/dbraw/zinc/34/81/85/588348185.db2.gz NPROERVKEAQHQA-BQYQJAHWSA-N 0 0 246.306 3.559 20 0 BHADRN O=C(/C=C\c1ccco1)OC1(C2CCCC2)CC1 ZINC000848016885 588347841 /nfs/dbraw/zinc/34/78/41/588347841.db2.gz NPROERVKEAQHQA-FPLPWBNLSA-N 0 0 246.306 3.559 20 0 BHADRN C[C@@H](C(=O)OC1(C2CCCC2)CC1)c1ccco1 ZINC000848017053 588348134 /nfs/dbraw/zinc/34/81/34/588348134.db2.gz MRLLFMXVQRIUIJ-LLVKDONJSA-N 0 0 248.322 3.649 20 0 BHADRN C[C@H](C(=O)OC1(C2CCCC2)CC1)c1ccco1 ZINC000848017057 588347936 /nfs/dbraw/zinc/34/79/36/588347936.db2.gz MRLLFMXVQRIUIJ-NSHDSACASA-N 0 0 248.322 3.649 20 0 BHADRN CC(F)(F)CCC(=O)OC1(C2CCCC2)CC1 ZINC000848017480 588348189 /nfs/dbraw/zinc/34/81/89/588348189.db2.gz VMOBZSSYEUIFNQ-UHFFFAOYSA-N 0 0 246.297 3.688 20 0 BHADRN O=C(OC1(C2CCCC2)CC1)C1(F)CCCC1 ZINC000848017738 588347931 /nfs/dbraw/zinc/34/79/31/588347931.db2.gz FMHLQLWXOSEXAD-UHFFFAOYSA-N 0 0 240.318 3.535 20 0 BHADRN C[C@H](C(=O)OC1(C2CCCC2)CC1)C(C)(F)F ZINC000848018789 588348399 /nfs/dbraw/zinc/34/83/99/588348399.db2.gz NJFWBKCKENTLDG-SECBINFHSA-N 0 0 246.297 3.544 20 0 BHADRN C[C@@H](C(=O)OC1(C2CCCC2)CC1)C(C)(F)F ZINC000848018790 588348379 /nfs/dbraw/zinc/34/83/79/588348379.db2.gz NJFWBKCKENTLDG-VIFPVBQESA-N 0 0 246.297 3.544 20 0 BHADRN CCC/C=C\C(=O)Nc1ncsc1C(C)C ZINC000848095589 588355321 /nfs/dbraw/zinc/35/53/21/588355321.db2.gz VDCQQZLWIGKYNB-SREVYHEPSA-N 0 0 238.356 3.561 20 0 BHADRN CCC/C=C/C(=O)Nc1ncsc1C(C)C ZINC000848095590 588355328 /nfs/dbraw/zinc/35/53/28/588355328.db2.gz VDCQQZLWIGKYNB-VOTSOKGWSA-N 0 0 238.356 3.561 20 0 BHADRN CCC/C=C/C(=O)N[C@H](CC)c1ccccc1F ZINC000848263764 588368074 /nfs/dbraw/zinc/36/80/74/588368074.db2.gz PKUVOVIVRMBWIN-JBNJFFQFSA-N 0 0 249.329 3.749 20 0 BHADRN CCC/C=C\C(=O)N[C@H](CC)c1ccccc1F ZINC000848263765 588368236 /nfs/dbraw/zinc/36/82/36/588368236.db2.gz PKUVOVIVRMBWIN-RQWJFSOLSA-N 0 0 249.329 3.749 20 0 BHADRN CCCN(C(=O)C(C)=C1CCCC1)C(C)C ZINC000848291677 588370774 /nfs/dbraw/zinc/37/07/74/588370774.db2.gz ARYPZAHWRDRRDB-UHFFFAOYSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C(/C=C/C(=O)N(CCC)C(C)C)CC ZINC000848291950 588370841 /nfs/dbraw/zinc/37/08/41/588370841.db2.gz JRQZLZSZMZXTQW-GSSAJISUSA-N 0 0 223.360 3.546 20 0 BHADRN C/C=C(/C=C\C(=O)N(CCC)C(C)C)CC ZINC000848291951 588370877 /nfs/dbraw/zinc/37/08/77/588370877.db2.gz JRQZLZSZMZXTQW-QLNUPNCESA-N 0 0 223.360 3.546 20 0 BHADRN CC1(C)C[C@H]1C(=O)N1CCC[C@H]1CC1CCCC1 ZINC000848355997 588373601 /nfs/dbraw/zinc/37/36/01/588373601.db2.gz PZEWYCSYOVRCDR-KBPBESRZSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)C[C@H]1C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000848355998 588373511 /nfs/dbraw/zinc/37/35/11/588373511.db2.gz PZEWYCSYOVRCDR-KGLIPLIRSA-N 0 0 249.398 3.604 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000848356256 582755708 /nfs/dbraw/zinc/75/57/08/582755708.db2.gz UYAAYHNMFIOKLM-BOTKQDERSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(/C)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC000848356263 582755729 /nfs/dbraw/zinc/75/57/29/582755729.db2.gz UYAAYHNMFIOKLM-DXCZGNEWSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000848356267 582755630 /nfs/dbraw/zinc/75/56/30/582755630.db2.gz UYAAYHNMFIOKLM-PTJFDQCRSA-N 0 0 235.371 3.524 20 0 BHADRN C/C=C(\C)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC000848356271 582755636 /nfs/dbraw/zinc/75/56/36/582755636.db2.gz UYAAYHNMFIOKLM-RRIZPTRRSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)(CCSC1=NCCS1)C1CC1 ZINC000848422039 588383042 /nfs/dbraw/zinc/38/30/42/588383042.db2.gz JZBGGTZMBHCIPH-UHFFFAOYSA-N 0 0 229.414 3.649 20 0 BHADRN Cc1ccc(C(C)C)c(OCc2cnsn2)c1 ZINC000848422858 588382682 /nfs/dbraw/zinc/38/26/82/588382682.db2.gz SKYQNLLCLQZHJZ-UHFFFAOYSA-N 0 0 248.351 3.549 20 0 BHADRN CC(C)CSCc1cnc(Cl)c(F)c1 ZINC000848422915 588383264 /nfs/dbraw/zinc/38/32/64/588383264.db2.gz UYMXJRIKSNBHJQ-UHFFFAOYSA-N 0 0 233.739 3.763 20 0 BHADRN C[C@@H](SCc1cnsn1)c1cccs1 ZINC000848432331 588384093 /nfs/dbraw/zinc/38/40/93/588384093.db2.gz ZRSQZIDFGVELFU-SSDOTTSWSA-N 0 0 242.394 3.594 20 0 BHADRN C[C@H](SCc1cnsn1)c1cccs1 ZINC000848432332 588384301 /nfs/dbraw/zinc/38/43/01/588384301.db2.gz ZRSQZIDFGVELFU-ZETCQYMHSA-N 0 0 242.394 3.594 20 0 BHADRN C/C(=C/Cl)CSCc1ccc(C)nc1 ZINC000848434331 588384659 /nfs/dbraw/zinc/38/46/59/588384659.db2.gz KFQHVPSFWJNYEH-UITAMQMPSA-N 0 0 227.760 3.766 20 0 BHADRN C/C(=C\Cl)CSCc1ccc(C)nc1 ZINC000848434332 588384570 /nfs/dbraw/zinc/38/45/70/588384570.db2.gz KFQHVPSFWJNYEH-WEVVVXLNSA-N 0 0 227.760 3.766 20 0 BHADRN CCSCCSCc1c(C)nsc1C ZINC000848434462 588384740 /nfs/dbraw/zinc/38/47/40/588384740.db2.gz JOIIQYPDOOZTBF-UHFFFAOYSA-N 0 0 247.454 3.746 20 0 BHADRN CC(=O)c1cc(CSC(C)(C)C(C)C)on1 ZINC000848435391 588384642 /nfs/dbraw/zinc/38/46/42/588384642.db2.gz SYCSZOYOSIKIBX-UHFFFAOYSA-N 0 0 241.356 3.545 20 0 BHADRN CCC(CC)(CC)SCc1cnsn1 ZINC000848435600 588384461 /nfs/dbraw/zinc/38/44/61/588384461.db2.gz WSLMHODNZYZLHN-UHFFFAOYSA-N 0 0 230.402 3.740 20 0 BHADRN Fc1cc(CSC2CCC2)cnc1Cl ZINC000848438153 588385085 /nfs/dbraw/zinc/38/50/85/588385085.db2.gz BGQOIHBARUZMIF-UHFFFAOYSA-N 0 0 231.723 3.660 20 0 BHADRN CC(C)(O)CCSCc1ccc(CF)cc1 ZINC000848442319 645438674 /nfs/dbraw/zinc/43/86/74/645438674.db2.gz BUKXXPYXZXFDNN-UHFFFAOYSA-N 0 0 242.359 3.550 20 0 BHADRN O=C(OCC1CC1)Oc1cccc2sccc21 ZINC000848463571 588386331 /nfs/dbraw/zinc/38/63/31/588386331.db2.gz YBNIJFZOKNONPC-UHFFFAOYSA-N 0 0 248.303 3.827 20 0 BHADRN O=C(Oc1cccc2sccc21)OC1CCC1 ZINC000848463605 588386355 /nfs/dbraw/zinc/38/63/55/588386355.db2.gz ZOTLWTFZHQMRLP-UHFFFAOYSA-N 0 0 248.303 3.969 20 0 BHADRN CC(C)(C)SCCn1cc(C2CCC2)cn1 ZINC000848517144 588389790 /nfs/dbraw/zinc/38/97/90/588389790.db2.gz CBBCJSVUJFOTMB-UHFFFAOYSA-N 0 0 238.400 3.682 20 0 BHADRN FCc1ccc(Cn2cc(C3CCC3)cn2)cc1 ZINC000848517149 588389364 /nfs/dbraw/zinc/38/93/64/588389364.db2.gz CFSSZPIKNZIECD-UHFFFAOYSA-N 0 0 244.313 3.668 20 0 BHADRN OC1(CCOc2cccc(C3CCCC3)c2)CC1 ZINC000848520929 588391345 /nfs/dbraw/zinc/39/13/45/588391345.db2.gz LQRGDTYOOMXFMX-UHFFFAOYSA-N 0 0 246.350 3.638 20 0 BHADRN CC(C)n1cc(OCc2ccc(CF)cc2)cn1 ZINC000848523520 588392216 /nfs/dbraw/zinc/39/22/16/588392216.db2.gz IEBXAWZYEHCMLH-UHFFFAOYSA-N 0 0 248.301 3.513 20 0 BHADRN CCn1cc(NCc2ccccc2C(C)C)cn1 ZINC000848543144 588395301 /nfs/dbraw/zinc/39/53/01/588395301.db2.gz BOWRYMWFTBMDPI-UHFFFAOYSA-N 0 0 243.354 3.639 20 0 BHADRN C[C@H]1CC[C@H](Nc2cc(C3CC3)ccn2)CS1 ZINC000848551057 588396339 /nfs/dbraw/zinc/39/63/39/588396339.db2.gz CHHUALFLNBWDRI-GWCFXTLKSA-N 0 0 248.395 3.655 20 0 BHADRN C[C@H]1CC[C@@H](Nc2cc(C3CC3)ccn2)CS1 ZINC000848551058 588396749 /nfs/dbraw/zinc/39/67/49/588396749.db2.gz CHHUALFLNBWDRI-GXFFZTMASA-N 0 0 248.395 3.655 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cc(C3CC3)ccn2)CS1 ZINC000848551059 588396170 /nfs/dbraw/zinc/39/61/70/588396170.db2.gz CHHUALFLNBWDRI-MFKMUULPSA-N 0 0 248.395 3.655 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cc(C3CC3)ccn2)CS1 ZINC000848551060 588396370 /nfs/dbraw/zinc/39/63/70/588396370.db2.gz CHHUALFLNBWDRI-ZWNOBZJWSA-N 0 0 248.395 3.655 20 0 BHADRN CC(C)c1ccccc1CNCC(C)(F)F ZINC000848553707 588396273 /nfs/dbraw/zinc/39/62/73/588396273.db2.gz PJCYIOOOZQXJRI-UHFFFAOYSA-N 0 0 227.298 3.555 20 0 BHADRN C[C@H]1CC[C@@H](Nc2cccc(C3CC3)n2)CS1 ZINC000848554327 588396765 /nfs/dbraw/zinc/39/67/65/588396765.db2.gz YHLDSLVKYAKPLI-CMPLNLGQSA-N 0 0 248.395 3.655 20 0 BHADRN C[C@H]1CC[C@H](Nc2cccc(C3CC3)n2)CS1 ZINC000848554328 588396660 /nfs/dbraw/zinc/39/66/60/588396660.db2.gz YHLDSLVKYAKPLI-JQWIXIFHSA-N 0 0 248.395 3.655 20 0 BHADRN C[C@@H]1CC[C@H](Nc2cccc(C3CC3)n2)CS1 ZINC000848554329 588396607 /nfs/dbraw/zinc/39/66/07/588396607.db2.gz YHLDSLVKYAKPLI-PWSUYJOCSA-N 0 0 248.395 3.655 20 0 BHADRN C[C@@H]1CC[C@@H](Nc2cccc(C3CC3)n2)CS1 ZINC000848554330 588396438 /nfs/dbraw/zinc/39/64/38/588396438.db2.gz YHLDSLVKYAKPLI-ZYHUDNBSSA-N 0 0 248.395 3.655 20 0 BHADRN Cc1cc(N[C@H](C)c2ncc[nH]2)ccc1Cl ZINC000848567709 588398312 /nfs/dbraw/zinc/39/83/12/588398312.db2.gz LNGWPSUXBMVVKA-SECBINFHSA-N 0 0 235.718 3.545 20 0 BHADRN Cc1cc(N[C@@H](C)c2ncc[nH]2)ccc1Cl ZINC000848567710 588398166 /nfs/dbraw/zinc/39/81/66/588398166.db2.gz LNGWPSUXBMVVKA-VIFPVBQESA-N 0 0 235.718 3.545 20 0 BHADRN CC(C)[C@H](F)c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000848618147 588401900 /nfs/dbraw/zinc/40/19/00/588401900.db2.gz HAKNUCMJMPJGHL-ZDCRXTMVSA-N 0 0 238.306 3.640 20 0 BHADRN CC(C)[C@H](F)c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000848618148 588401884 /nfs/dbraw/zinc/40/18/84/588401884.db2.gz HAKNUCMJMPJGHL-ZNSHCXBVSA-N 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C[C@H](OC(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000849186520 588460685 /nfs/dbraw/zinc/46/06/85/588460685.db2.gz XFZCYUIDRKTGIG-VIFPVBQESA-N 0 0 240.730 3.990 20 0 BHADRN C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000849186524 588460728 /nfs/dbraw/zinc/46/07/28/588460728.db2.gz XQEJENUSFWMTOM-HOTUBEGUSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@H](OC(=O)[C@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000849186525 588460721 /nfs/dbraw/zinc/46/07/21/588460721.db2.gz XQEJENUSFWMTOM-PTRXPTGYSA-N 0 0 238.714 3.600 20 0 BHADRN CCC[C@@H](C)C(=O)O[C@H](C)c1ccc(F)cc1 ZINC000849189384 588461110 /nfs/dbraw/zinc/46/11/10/588461110.db2.gz GARKMVLYOXKVNH-GHMZBOCLSA-N 0 0 238.302 3.866 20 0 BHADRN CCC[C@@H](C)C(=O)O[C@@H](C)c1ccc(F)cc1 ZINC000849189385 588461086 /nfs/dbraw/zinc/46/10/86/588461086.db2.gz GARKMVLYOXKVNH-MNOVXSKESA-N 0 0 238.302 3.866 20 0 BHADRN CCC[C@H](C)C(=O)O[C@@H](C)c1ccc(F)cc1 ZINC000849189386 588460929 /nfs/dbraw/zinc/46/09/29/588460929.db2.gz GARKMVLYOXKVNH-QWRGUYRKSA-N 0 0 238.302 3.866 20 0 BHADRN 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BHADRN C=COc1ccc(NCC[C@H]2CCCCO2)cc1 ZINC000849317516 588472160 /nfs/dbraw/zinc/47/21/60/588472160.db2.gz SDZKFMWHNZWHQR-CQSZACIVSA-N 0 0 247.338 3.580 20 0 BHADRN CCCCCCNc1ccc2c(c1)CCOC2 ZINC000849319215 588472115 /nfs/dbraw/zinc/47/21/15/588472115.db2.gz OUQQGMKGIYTXDJ-UHFFFAOYSA-N 0 0 233.355 3.752 20 0 BHADRN CC(C)(C)c1noc(-c2ccc(CF)cc2)n1 ZINC000849337905 588473307 /nfs/dbraw/zinc/47/33/07/588473307.db2.gz GYAXWMUKKQLIBK-UHFFFAOYSA-N 0 0 234.274 3.504 20 0 BHADRN FCc1ccc(-c2nc(C3CCCC3)no2)cc1 ZINC000849338578 588473382 /nfs/dbraw/zinc/47/33/82/588473382.db2.gz OTPLIWGDESACDF-UHFFFAOYSA-N 0 0 246.285 3.864 20 0 BHADRN CCO[C@H](CC)c1nc(-c2ccccc2C)no1 ZINC000849340412 588474073 /nfs/dbraw/zinc/47/40/73/588474073.db2.gz UOKQESPGGOWCMQ-GFCCVEGCSA-N 0 0 246.310 3.533 20 0 BHADRN CCO[C@@H](CC)c1nc(-c2ccccc2C)no1 ZINC000849340413 588473978 /nfs/dbraw/zinc/47/39/78/588473978.db2.gz UOKQESPGGOWCMQ-LBPRGKRZSA-N 0 0 246.310 3.533 20 0 BHADRN C=Cc1ccccc1OC(=O)OC1CCCC1 ZINC000849403783 588477034 /nfs/dbraw/zinc/47/70/34/588477034.db2.gz PKSUDXBIWDQDOH-UHFFFAOYSA-N 0 0 232.279 3.788 20 0 BHADRN CCC/C=C/C(=O)Nc1cccc2cnccc21 ZINC000849432594 588478685 /nfs/dbraw/zinc/47/86/85/588478685.db2.gz LINZGXPRVNXOIY-XBXARRHUSA-N 0 0 240.306 3.530 20 0 BHADRN CCC/C=C\C(=O)Nc1cccc2cnccc21 ZINC000849432595 588478862 /nfs/dbraw/zinc/47/88/62/588478862.db2.gz LINZGXPRVNXOIY-YWEYNIOJSA-N 0 0 240.306 3.530 20 0 BHADRN CC(=O)Oc1cccc(C(C)(C)C)c1Cl ZINC000849436825 588478745 /nfs/dbraw/zinc/47/87/45/588478745.db2.gz UGRJCPIHWWXWEW-UHFFFAOYSA-N 0 0 226.703 3.563 20 0 BHADRN CCC/C=C\C(=O)Nc1cccc(Cl)c1C ZINC000849477213 588480166 /nfs/dbraw/zinc/48/01/66/588480166.db2.gz PNOVSYMIXPODFD-UITAMQMPSA-N 0 0 237.730 3.943 20 0 BHADRN CCC/C=C/C(=O)Nc1cccc(Cl)c1C ZINC000849477214 588480158 /nfs/dbraw/zinc/48/01/58/588480158.db2.gz PNOVSYMIXPODFD-WEVVVXLNSA-N 0 0 237.730 3.943 20 0 BHADRN O=C(OCc1ccsc1Cl)C1CCCC1 ZINC000849629884 588482115 /nfs/dbraw/zinc/48/21/15/588482115.db2.gz VYZKKVJBFFOIRJ-UHFFFAOYSA-N 0 0 244.743 3.635 20 0 BHADRN CCCCC(=O)OCc1ccsc1Cl ZINC000849630562 588482217 /nfs/dbraw/zinc/48/22/17/588482217.db2.gz VTYYFFXWPDDTHJ-UHFFFAOYSA-N 0 0 232.732 3.635 20 0 BHADRN CC(C)=CCCOC(=O)CCc1cccs1 ZINC000849639144 588483260 /nfs/dbraw/zinc/48/32/60/588483260.db2.gz YYBZCVVYKQWOEI-UHFFFAOYSA-N 0 0 238.352 3.580 20 0 BHADRN CC(C)=CCCOC(=O)CCc1ccsc1 ZINC000849663552 588484860 /nfs/dbraw/zinc/48/48/60/588484860.db2.gz VQACCNKJYZFAFE-UHFFFAOYSA-N 0 0 238.352 3.580 20 0 BHADRN CC(F)(F)CCC(=O)OCCCC1CCC1 ZINC000849696211 588487323 /nfs/dbraw/zinc/48/73/23/588487323.db2.gz FJXHDAZSZIVSTC-UHFFFAOYSA-N 0 0 234.286 3.545 20 0 BHADRN CSc1ccc(C(=O)OCCC=C(C)C)o1 ZINC000849728323 588490624 /nfs/dbraw/zinc/49/06/24/588490624.db2.gz FKLBASVHZRDOMW-UHFFFAOYSA-N 0 0 240.324 3.515 20 0 BHADRN CC(C)=CCCOC(=O)[C@H](C)c1ccc(C)o1 ZINC000849736011 588491612 /nfs/dbraw/zinc/49/16/12/588491612.db2.gz DLOKHUODEKDMQO-GFCCVEGCSA-N 0 0 236.311 3.591 20 0 BHADRN CC(C)=CCCOC(=O)[C@@H](C)c1ccc(C)o1 ZINC000849736012 588491616 /nfs/dbraw/zinc/49/16/16/588491616.db2.gz DLOKHUODEKDMQO-LBPRGKRZSA-N 0 0 236.311 3.591 20 0 BHADRN CC[C@H](COC(=O)C(C)=C(C)C)CC(F)F ZINC000849739118 588492058 /nfs/dbraw/zinc/49/20/58/588492058.db2.gz JGWBUJREQJJZQR-JTQLQIEISA-N 0 0 234.286 3.567 20 0 BHADRN CC[C@@H](COC(=O)C(C)=C(C)C)CC(F)F ZINC000849739119 588491877 /nfs/dbraw/zinc/49/18/77/588491877.db2.gz JGWBUJREQJJZQR-SNVBAGLBSA-N 0 0 234.286 3.567 20 0 BHADRN O=C(C=C1CCC1)OCc1ccsc1Cl ZINC000849740965 588492248 /nfs/dbraw/zinc/49/22/48/588492248.db2.gz DOKZFJJRBHMSAT-UHFFFAOYSA-N 0 0 242.727 3.555 20 0 BHADRN O=C(OCc1ccsc1Cl)C1=CCCC1 ZINC000849744760 588492726 /nfs/dbraw/zinc/49/27/26/588492726.db2.gz VBFFGSXIIIUMEX-UHFFFAOYSA-N 0 0 242.727 3.555 20 0 BHADRN CC(C)=CCCOC(=O)C1CCC(F)(F)CC1 ZINC000849748440 588492989 /nfs/dbraw/zinc/49/29/89/588492989.db2.gz KZECACILVVPVGE-UHFFFAOYSA-N 0 0 246.297 3.711 20 0 BHADRN O=C(CC1CC(F)(F)C1)OCCCC1CCC1 ZINC000849798278 588500784 /nfs/dbraw/zinc/50/07/84/588500784.db2.gz FFFNALYJVIBDIA-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN CC[C@H](COC(=O)C(C)=C1CCC1)CC(F)F ZINC000849798625 588500928 /nfs/dbraw/zinc/50/09/28/588500928.db2.gz GSINDYGRDQKADF-JTQLQIEISA-N 0 0 246.297 3.711 20 0 BHADRN CC[C@@H](COC(=O)C(C)=C1CCC1)CC(F)F ZINC000849798626 588500807 /nfs/dbraw/zinc/50/08/07/588500807.db2.gz GSINDYGRDQKADF-SNVBAGLBSA-N 0 0 246.297 3.711 20 0 BHADRN CC[C@H](CC(F)F)C(=O)OCCCC1CCC1 ZINC000849801408 588501017 /nfs/dbraw/zinc/50/10/17/588501017.db2.gz CHFOQPSQXBJHIN-LLVKDONJSA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@@H](CC(F)F)C(=O)OCCCC1CCC1 ZINC000849801409 588501087 /nfs/dbraw/zinc/50/10/87/588501087.db2.gz CHFOQPSQXBJHIN-NSHDSACASA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@@H](CC(F)F)C(=O)OCCC=C(C)C ZINC000849802027 712610591 /nfs/dbraw/zinc/61/05/91/712610591.db2.gz MPVRREDPEYRGJD-JTQLQIEISA-N 0 0 234.286 3.567 20 0 BHADRN CC[C@H](CC(F)F)C(=O)OCCC=C(C)C ZINC000849802028 712610592 /nfs/dbraw/zinc/61/05/92/712610592.db2.gz MPVRREDPEYRGJD-SNVBAGLBSA-N 0 0 234.286 3.567 20 0 BHADRN CC(C)=CCCOC(=O)/C(C)=C\c1ccco1 ZINC000849822649 588503665 /nfs/dbraw/zinc/50/36/65/588503665.db2.gz LSSJJPVZGDHKPI-BENRWUELSA-N 0 0 234.295 3.582 20 0 BHADRN CC(C)=CCCOC(=O)/C(C)=C/c1ccco1 ZINC000849822650 588503711 /nfs/dbraw/zinc/50/37/11/588503711.db2.gz LSSJJPVZGDHKPI-ZRDIBKRKSA-N 0 0 234.295 3.582 20 0 BHADRN CC(C)c1ccccc1C(=O)OCC(F)(F)F ZINC000849839753 588504089 /nfs/dbraw/zinc/50/40/89/588504089.db2.gz OBXMWVNHLQUCMS-UHFFFAOYSA-N 0 0 246.228 3.529 20 0 BHADRN Cc1ccccc1CS[C@@H]1CCSC1 ZINC000849850580 712610581 /nfs/dbraw/zinc/61/05/81/712610581.db2.gz RYEDODBEYIOWBA-GFCCVEGCSA-N 0 0 224.394 3.734 20 0 BHADRN Cc1ccccc1CS[C@H]1CCSC1 ZINC000849850584 712610612 /nfs/dbraw/zinc/61/06/12/712610612.db2.gz RYEDODBEYIOWBA-LBPRGKRZSA-N 0 0 224.394 3.734 20 0 BHADRN Clc1ccc(S[C@H]2CCSC2)cc1 ZINC000849856362 588505355 /nfs/dbraw/zinc/50/53/55/588505355.db2.gz YCZXWLKJKBIBED-JTQLQIEISA-N 0 0 230.785 3.938 20 0 BHADRN Clc1ccc(S[C@@H]2CCSC2)cc1 ZINC000849856363 588505371 /nfs/dbraw/zinc/50/53/71/588505371.db2.gz YCZXWLKJKBIBED-SNVBAGLBSA-N 0 0 230.785 3.938 20 0 BHADRN C1C[C@H](SC2CCCCC2)CS1 ZINC000849856706 588505532 /nfs/dbraw/zinc/50/55/32/588505532.db2.gz JXLRBDFLJVNOSO-JTQLQIEISA-N 0 0 202.388 3.558 20 0 BHADRN C1C[C@@H](SC2CCCCC2)CS1 ZINC000849856707 588505286 /nfs/dbraw/zinc/50/52/86/588505286.db2.gz JXLRBDFLJVNOSO-SNVBAGLBSA-N 0 0 202.388 3.558 20 0 BHADRN Fc1cccc(CSC2CCCCC2)n1 ZINC000849856763 588505673 /nfs/dbraw/zinc/50/56/73/588505673.db2.gz LXWFBVVMBQWSMA-UHFFFAOYSA-N 0 0 225.332 3.787 20 0 BHADRN Cc1ccc(S[C@@H]2CCSC2)cc1 ZINC000849856996 588505691 /nfs/dbraw/zinc/50/56/91/588505691.db2.gz QDWFKOWNXBJVDW-LLVKDONJSA-N 0 0 210.367 3.593 20 0 BHADRN Cc1ccc(S[C@H]2CCSC2)cc1 ZINC000849856997 588505658 /nfs/dbraw/zinc/50/56/58/588505658.db2.gz QDWFKOWNXBJVDW-NSHDSACASA-N 0 0 210.367 3.593 20 0 BHADRN C1=CCC(CSc2ncnc3ccccc32)C1 ZINC000849857882 588505821 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ZINC000850192632 588525708 /nfs/dbraw/zinc/52/57/08/588525708.db2.gz DKNHUGLVWISKIZ-VIFPVBQESA-N 0 0 244.693 3.694 20 0 BHADRN O=C(CCCF)OCc1ccc2ccccc2c1 ZINC000850193048 588526083 /nfs/dbraw/zinc/52/60/83/588526083.db2.gz KIFQSLQSPZEURI-UHFFFAOYSA-N 0 0 246.281 3.633 20 0 BHADRN C[C@@H](OC(=O)CCCF)c1cccc(Cl)c1 ZINC000850193616 588526123 /nfs/dbraw/zinc/52/61/23/588526123.db2.gz VJDYNHABFWBZQD-SECBINFHSA-N 0 0 244.693 3.694 20 0 BHADRN C[C@H](OC(=O)CCCF)c1cccc(Cl)c1 ZINC000850193617 588524466 /nfs/dbraw/zinc/52/44/66/588524466.db2.gz VJDYNHABFWBZQD-VIFPVBQESA-N 0 0 244.693 3.694 20 0 BHADRN O=C(OCCCCCF)[C@@H]1CCCC2(CC2)C1 ZINC000850205284 588528590 /nfs/dbraw/zinc/52/85/90/588528590.db2.gz CMLDPMIQTYRLSY-GFCCVEGCSA-N 0 0 242.334 3.640 20 0 BHADRN O=C(OCCCCCF)[C@H]1CCCC2(CC2)C1 ZINC000850205286 588528582 /nfs/dbraw/zinc/52/85/82/588528582.db2.gz CMLDPMIQTYRLSY-LBPRGKRZSA-N 0 0 242.334 3.640 20 0 BHADRN CC(F)(F)CCOC(=O)[C@H]1CCCC2(CC2)C1 ZINC000850205310 588528810 /nfs/dbraw/zinc/52/88/10/588528810.db2.gz CZPVWEQZVNYUOV-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CC(F)(F)CCOC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850205312 588528518 /nfs/dbraw/zinc/52/85/18/588528518.db2.gz CZPVWEQZVNYUOV-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN C[C@H](OC(=O)C1CC2(CC2)C1)c1cccc(F)c1 ZINC000850214409 588529335 /nfs/dbraw/zinc/52/93/35/588529335.db2.gz JHPVZACKUFMAIK-JTQLQIEISA-N 0 0 248.297 3.620 20 0 BHADRN C[C@@H](OC(=O)C1CC2(CC2)C1)c1cccc(F)c1 ZINC000850214410 588529323 /nfs/dbraw/zinc/52/93/23/588529323.db2.gz JHPVZACKUFMAIK-SNVBAGLBSA-N 0 0 248.297 3.620 20 0 BHADRN C[C@H](OC(=O)C1CC2(CC2)C1)c1ccc(F)cc1 ZINC000850214824 588529392 /nfs/dbraw/zinc/52/93/92/588529392.db2.gz FJEBFMQNWHZZGG-JTQLQIEISA-N 0 0 248.297 3.620 20 0 BHADRN C[C@@H](OC(=O)C1CC2(CC2)C1)c1ccc(F)cc1 ZINC000850214828 588529452 /nfs/dbraw/zinc/52/94/52/588529452.db2.gz FJEBFMQNWHZZGG-SNVBAGLBSA-N 0 0 248.297 3.620 20 0 BHADRN C[C@H](OC(=O)C1CC2(CC2)C1)c1ccccc1F ZINC000850215015 588529463 /nfs/dbraw/zinc/52/94/63/588529463.db2.gz QJZFVGCSIOYXKP-JTQLQIEISA-N 0 0 248.297 3.620 20 0 BHADRN C[C@@H](OC(=O)C1CC2(CC2)C1)c1ccccc1F ZINC000850215017 588529487 /nfs/dbraw/zinc/52/94/87/588529487.db2.gz QJZFVGCSIOYXKP-SNVBAGLBSA-N 0 0 248.297 3.620 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)C2CC3(CC3)C2)c1 ZINC000850215395 588529270 /nfs/dbraw/zinc/52/92/70/588529270.db2.gz KINQEAQYWPRVHE-GFCCVEGCSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)C2CC3(CC3)C2)c1 ZINC000850215399 588529275 /nfs/dbraw/zinc/52/92/75/588529275.db2.gz KINQEAQYWPRVHE-LBPRGKRZSA-N 0 0 244.334 3.789 20 0 BHADRN C[C@H](COC(=O)C1CC2(CC2)C1)c1ccccc1 ZINC000850215527 588529684 /nfs/dbraw/zinc/52/96/84/588529684.db2.gz QQKOEYHVAHUBFE-GFCCVEGCSA-N 0 0 244.334 3.524 20 0 BHADRN C[C@@H](COC(=O)C1CC2(CC2)C1)c1ccccc1 ZINC000850215530 588529659 /nfs/dbraw/zinc/52/96/59/588529659.db2.gz QQKOEYHVAHUBFE-LBPRGKRZSA-N 0 0 244.334 3.524 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)C1CC2(CC2)C1 ZINC000850215942 588529857 /nfs/dbraw/zinc/52/98/57/588529857.db2.gz PNZNWZAYDRBSQL-GFCCVEGCSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)C1CC2(CC2)C1 ZINC000850215949 588529747 /nfs/dbraw/zinc/52/97/47/588529747.db2.gz PNZNWZAYDRBSQL-LBPRGKRZSA-N 0 0 244.334 3.789 20 0 BHADRN Cc1cccc([C@@H](C)OC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000850264479 588533509 /nfs/dbraw/zinc/53/35/09/588533509.db2.gz CBCIESKNNBTSPQ-RZFFKMDDSA-N 0 0 244.334 3.645 20 0 BHADRN Cc1cccc([C@H](C)OC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000850264480 588533441 /nfs/dbraw/zinc/53/34/41/588533441.db2.gz CBCIESKNNBTSPQ-SPWCGHHHSA-N 0 0 244.334 3.645 20 0 BHADRN Cc1ccccc1[C@H](C)OC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850265030 588533952 /nfs/dbraw/zinc/53/39/52/588533952.db2.gz YTMPYDBIWXQQLX-IGQOVBAYSA-N 0 0 244.334 3.645 20 0 BHADRN Cc1ccccc1[C@@H](C)OC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850265031 588534035 /nfs/dbraw/zinc/53/40/35/588534035.db2.gz YTMPYDBIWXQQLX-MQYQWHSLSA-N 0 0 244.334 3.645 20 0 BHADRN CC(F)(F)CCOC(=O)C1CCC2(CC2)CC1 ZINC000850267417 588534366 /nfs/dbraw/zinc/53/43/66/588534366.db2.gz QHJNOHJEHCFQPI-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(OCCCCCF)C1CCC2(CC2)CC1 ZINC000850267494 582910349 /nfs/dbraw/zinc/91/03/49/582910349.db2.gz SANXDUQLYLODBI-UHFFFAOYSA-N 0 0 242.334 3.640 20 0 BHADRN CC(C)c1cccc(C(=O)OCC(F)(F)F)c1 ZINC000850282414 588534718 /nfs/dbraw/zinc/53/47/18/588534718.db2.gz WNZPUSODYLPSLK-UHFFFAOYSA-N 0 0 246.228 3.529 20 0 BHADRN CCC(CC)OC(=O)c1c(F)cc(C)cc1F ZINC000850319025 588536587 /nfs/dbraw/zinc/53/65/87/588536587.db2.gz DLNGLRPUAAIJDX-UHFFFAOYSA-N 0 0 242.265 3.619 20 0 BHADRN CCC[C@@H](C)OC(=O)c1c(F)cc(C)cc1F ZINC000850321461 588536822 /nfs/dbraw/zinc/53/68/22/588536822.db2.gz SSZDJRYBVYXITN-SECBINFHSA-N 0 0 242.265 3.619 20 0 BHADRN CCC[C@H](C)OC(=O)c1c(F)cc(C)cc1F ZINC000850321462 588536846 /nfs/dbraw/zinc/53/68/46/588536846.db2.gz SSZDJRYBVYXITN-VIFPVBQESA-N 0 0 242.265 3.619 20 0 BHADRN CCC/C=C/C(=O)Nc1ccccc1SC ZINC000850342294 588537616 /nfs/dbraw/zinc/53/76/16/588537616.db2.gz FSORRMZNGHFUPX-BJMVGYQFSA-N 0 0 235.352 3.703 20 0 BHADRN CCC/C=C\C(=O)Nc1ccccc1SC ZINC000850342295 588537042 /nfs/dbraw/zinc/53/70/42/588537042.db2.gz FSORRMZNGHFUPX-YHYXMXQVSA-N 0 0 235.352 3.703 20 0 BHADRN COc1cc(C)c(C)cc1NCc1ccoc1 ZINC000850354095 588538070 /nfs/dbraw/zinc/53/80/70/588538070.db2.gz VNODINYCYBHLHJ-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN CC1(CNc2ccc3c(c2)[C@@H](O)CCCC3)CC1 ZINC000850362036 588540607 /nfs/dbraw/zinc/54/06/07/588540607.db2.gz FHBFOMLWJPAVLV-HNNXBMFYSA-N 0 0 245.366 3.658 20 0 BHADRN CC1(CNc2ccc3c(c2)[C@H](O)CCCC3)CC1 ZINC000850362039 588540662 /nfs/dbraw/zinc/54/06/62/588540662.db2.gz FHBFOMLWJPAVLV-OAHLLOKOSA-N 0 0 245.366 3.658 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)[C@H](O)CCCC2)C1CC1 ZINC000850362775 588540273 /nfs/dbraw/zinc/54/02/73/588540273.db2.gz NNSNHOOQEYCBQM-BDJLRTHQSA-N 0 0 245.366 3.657 20 0 BHADRN C[C@@H](Nc1ccc2c(c1)[C@@H](O)CCCC2)C1CC1 ZINC000850362776 588540445 /nfs/dbraw/zinc/54/04/45/588540445.db2.gz NNSNHOOQEYCBQM-BZNIZROVSA-N 0 0 245.366 3.657 20 0 BHADRN C[C@H](Nc1ccc2c(c1)[C@H](O)CCCC2)C1CC1 ZINC000850362777 588540718 /nfs/dbraw/zinc/54/07/18/588540718.db2.gz NNSNHOOQEYCBQM-MEDUHNTESA-N 0 0 245.366 3.657 20 0 BHADRN C[C@H](Nc1ccc2c(c1)[C@@H](O)CCCC2)C1CC1 ZINC000850362779 588540319 /nfs/dbraw/zinc/54/03/19/588540319.db2.gz NNSNHOOQEYCBQM-ZBEGNZNMSA-N 0 0 245.366 3.657 20 0 BHADRN O[C@H]1CCCCc2ccc(NC3CCCC3)cc21 ZINC000850362787 588540349 /nfs/dbraw/zinc/54/03/49/588540349.db2.gz NRCLAHDEQHVQPK-INIZCTEOSA-N 0 0 245.366 3.801 20 0 BHADRN O[C@@H]1CCCCc2ccc(NC3CCCC3)cc21 ZINC000850362788 588540565 /nfs/dbraw/zinc/54/05/65/588540565.db2.gz NRCLAHDEQHVQPK-MRXNPFEDSA-N 0 0 245.366 3.801 20 0 BHADRN CC(C)CNc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000850363292 588540469 /nfs/dbraw/zinc/54/04/69/588540469.db2.gz VAZGVUQUXPHWTA-HNNXBMFYSA-N 0 0 233.355 3.514 20 0 BHADRN CC(C)CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC000850363293 588540712 /nfs/dbraw/zinc/54/07/12/588540712.db2.gz VAZGVUQUXPHWTA-OAHLLOKOSA-N 0 0 233.355 3.514 20 0 BHADRN CC(C)(C)CNc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000850363318 588540482 /nfs/dbraw/zinc/54/04/82/588540482.db2.gz WCRYMANKYXXPLF-HNNXBMFYSA-N 0 0 247.382 3.904 20 0 BHADRN CC(C)(C)CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC000850363319 588540449 /nfs/dbraw/zinc/54/04/49/588540449.db2.gz WCRYMANKYXXPLF-OAHLLOKOSA-N 0 0 247.382 3.904 20 0 BHADRN CCn1ccc(NCc2ccccc2C(C)C)n1 ZINC000850364073 588540494 /nfs/dbraw/zinc/54/04/94/588540494.db2.gz URYULNUAMOCYQP-UHFFFAOYSA-N 0 0 243.354 3.639 20 0 BHADRN CCCc1ccccc1N[C@@H]1COC2(CCC2)C1 ZINC000850449338 588547734 /nfs/dbraw/zinc/54/77/34/588547734.db2.gz VVXUENPEVHLGHY-AWEZNQCLSA-N 0 0 245.366 3.763 20 0 BHADRN CCCc1ccccc1N[C@H]1COC2(CCC2)C1 ZINC000850449339 588547372 /nfs/dbraw/zinc/54/73/72/588547372.db2.gz VVXUENPEVHLGHY-CQSZACIVSA-N 0 0 245.366 3.763 20 0 BHADRN CCCc1ccc(N[C@@H]2COC3(CCC3)C2)cc1 ZINC000850449552 588547707 /nfs/dbraw/zinc/54/77/07/588547707.db2.gz GTDVNXHCFGJHKS-HNNXBMFYSA-N 0 0 245.366 3.763 20 0 BHADRN CCCc1ccc(N[C@H]2COC3(CCC3)C2)cc1 ZINC000850449554 588547471 /nfs/dbraw/zinc/54/74/71/588547471.db2.gz GTDVNXHCFGJHKS-OAHLLOKOSA-N 0 0 245.366 3.763 20 0 BHADRN FCC1(CF)CC(Nc2ccc(Cl)cc2)C1 ZINC000850451595 588547927 /nfs/dbraw/zinc/54/79/27/588547927.db2.gz DADULDMSEOSQOR-UHFFFAOYSA-N 0 0 245.700 3.840 20 0 BHADRN CSc1ccccc1N[C@H]1COC2(CCC2)C1 ZINC000850456076 588547958 /nfs/dbraw/zinc/54/79/58/588547958.db2.gz ZIMCGHVZUNBYBO-LLVKDONJSA-N 0 0 249.379 3.532 20 0 BHADRN CSc1ccccc1N[C@@H]1COC2(CCC2)C1 ZINC000850456077 588548151 /nfs/dbraw/zinc/54/81/51/588548151.db2.gz ZIMCGHVZUNBYBO-NSHDSACASA-N 0 0 249.379 3.532 20 0 BHADRN c1cc(C2CC2)cc(N[C@@H]2CCCSCC2)n1 ZINC000850471312 588549276 /nfs/dbraw/zinc/54/92/76/588549276.db2.gz PKIKLUYSZXWNFO-CYBMUJFWSA-N 0 0 248.395 3.657 20 0 BHADRN c1cc(C2CC2)cc(N[C@H]2CCCSCC2)n1 ZINC000850471313 588548878 /nfs/dbraw/zinc/54/88/78/588548878.db2.gz PKIKLUYSZXWNFO-ZDUSSCGKSA-N 0 0 248.395 3.657 20 0 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CC(C)c1nc([C@H](C)N[C@@H]2C=CCC2)cs1 ZINC000850507360 711677431 /nfs/dbraw/zinc/67/74/31/711677431.db2.gz FJKUEJYYVWGSNU-WDEREUQCSA-N 0 0 236.384 3.636 20 0 BHADRN CC[C@@H](C)Nc1ccc(OC(F)F)c(OC)c1 ZINC000850564169 588560617 /nfs/dbraw/zinc/56/06/17/588560617.db2.gz NDDOTMNUDYUXSS-MRVPVSSYSA-N 0 0 245.269 3.507 20 0 BHADRN CC[C@H](C)Nc1ccc(OC(F)F)c(OC)c1 ZINC000850564170 588560622 /nfs/dbraw/zinc/56/06/22/588560622.db2.gz NDDOTMNUDYUXSS-QMMMGPOBSA-N 0 0 245.269 3.507 20 0 BHADRN COc1cc2ccc(NC(C)C)cc2cc1OC ZINC000850571740 588561444 /nfs/dbraw/zinc/56/14/44/588561444.db2.gz VNYGFEWDDUYPBB-UHFFFAOYSA-N 0 0 245.322 3.677 20 0 BHADRN CC(C)(CC(F)(F)F)C(=O)Oc1ccccc1 ZINC000850742569 588564126 /nfs/dbraw/zinc/56/41/26/588564126.db2.gz CCOHUGDGJBBBOJ-UHFFFAOYSA-N 0 0 246.228 3.571 20 0 BHADRN CC(C)(C)c1ccc(OC(=O)CCCF)cc1 ZINC000850742755 588564080 /nfs/dbraw/zinc/56/40/80/588564080.db2.gz KQRSMJBESVHGQE-UHFFFAOYSA-N 0 0 238.302 3.639 20 0 BHADRN Cc1cc(OC(=O)CCCF)ccc1C(C)C ZINC000850742783 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ZINC000851317276 588601241 /nfs/dbraw/zinc/60/12/41/588601241.db2.gz HIOZWLIWVLYVCQ-MWLCHTKSSA-N 0 0 248.313 3.647 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OC[C@@H]1CCC1(F)F ZINC000851317277 588601262 /nfs/dbraw/zinc/60/12/62/588601262.db2.gz HIOZWLIWVLYVCQ-ONGXEEELSA-N 0 0 248.313 3.647 20 0 BHADRN CCCC1(C(=O)OC[C@@H]2CCC2(F)F)CCC1 ZINC000851317466 588601174 /nfs/dbraw/zinc/60/11/74/588601174.db2.gz IRODURRQVNAVGI-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CCCC1(C(=O)OC[C@H]2CCC2(F)F)CCC1 ZINC000851317468 588601168 /nfs/dbraw/zinc/60/11/68/588601168.db2.gz IRODURRQVNAVGI-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN CC(C)CC(C)(C)C(=O)OC[C@@H]1CCC1(F)F ZINC000851317852 588601086 /nfs/dbraw/zinc/60/10/86/588601086.db2.gz MBMXWRRPECDRBL-JTQLQIEISA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)CC(C)(C)C(=O)OC[C@H]1CCC1(F)F ZINC000851317853 588601102 /nfs/dbraw/zinc/60/11/02/588601102.db2.gz MBMXWRRPECDRBL-SNVBAGLBSA-N 0 0 248.313 3.647 20 0 BHADRN CCC(CC)(CC)C(=O)OC[C@@H]1CCC1(F)F ZINC000851318339 588601150 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/nfs/dbraw/zinc/60/20/67/588602067.db2.gz WZDDAUWVSFHKHM-UHFFFAOYSA-N 0 0 248.322 3.569 20 0 BHADRN O=C(CCC1CCCC1)OCC[C@@H]1CC1(F)F ZINC000851375116 588602830 /nfs/dbraw/zinc/60/28/30/588602830.db2.gz FENYQZSYLBNEAG-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CCC1CCCC1)OCC[C@H]1CC1(F)F ZINC000851375117 588602519 /nfs/dbraw/zinc/60/25/19/588602519.db2.gz FENYQZSYLBNEAG-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CC1CCCCC1)OCC[C@@H]1CC1(F)F ZINC000851375157 588602904 /nfs/dbraw/zinc/60/29/04/588602904.db2.gz GHDDSWMHNIOSMX-LLVKDONJSA-N 0 0 246.297 3.545 20 0 BHADRN O=C(CC1CCCCC1)OCC[C@H]1CC1(F)F ZINC000851375158 588602919 /nfs/dbraw/zinc/60/29/19/588602919.db2.gz GHDDSWMHNIOSMX-NSHDSACASA-N 0 0 246.297 3.545 20 0 BHADRN CCCCCCC(=O)OCC[C@H]1CC1(F)F ZINC000851376760 588603112 /nfs/dbraw/zinc/60/31/12/588603112.db2.gz JQJBRMNDYBVUAQ-JTQLQIEISA-N 0 0 234.286 3.545 20 0 BHADRN CCCCCCC(=O)OCC[C@@H]1CC1(F)F ZINC000851376761 588603062 /nfs/dbraw/zinc/60/30/62/588603062.db2.gz 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0 0 246.297 3.545 20 0 BHADRN C/C(=C\C(=O)OCC[C@H]1CC1(F)F)C(C)(C)C ZINC000851381229 588603185 /nfs/dbraw/zinc/60/31/85/588603185.db2.gz NDLQVVZVCKLCTA-PCYYEKQGSA-N 0 0 246.297 3.567 20 0 BHADRN C/C(=C/C(=O)OCC[C@H]1CC1(F)F)C(C)(C)C ZINC000851381230 588603183 /nfs/dbraw/zinc/60/31/83/588603183.db2.gz NDLQVVZVCKLCTA-RNKPRXRFSA-N 0 0 246.297 3.567 20 0 BHADRN C/C(=C\C(=O)OCC[C@@H]1CC1(F)F)C(C)(C)C ZINC000851381231 588603180 /nfs/dbraw/zinc/60/31/80/588603180.db2.gz NDLQVVZVCKLCTA-TTZKWOQHSA-N 0 0 246.297 3.567 20 0 BHADRN C/C(=C/C(=O)OCC[C@@H]1CC1(F)F)C(C)(C)C ZINC000851381232 588603135 /nfs/dbraw/zinc/60/31/35/588603135.db2.gz NDLQVVZVCKLCTA-UJICNMFASA-N 0 0 246.297 3.567 20 0 BHADRN CCC[C@@H](C(=O)OCC[C@@H]1CC1(F)F)C(C)C ZINC000851381355 588603164 /nfs/dbraw/zinc/60/31/64/588603164.db2.gz KFWPJZNOFZQLNV-GHMZBOCLSA-N 0 0 248.313 3.647 20 0 BHADRN CCC[C@H](C(=O)OCC[C@@H]1CC1(F)F)C(C)C ZINC000851381356 588603206 /nfs/dbraw/zinc/60/32/06/588603206.db2.gz KFWPJZNOFZQLNV-MNOVXSKESA-N 0 0 248.313 3.647 20 0 BHADRN CCC[C@H](C(=O)OCC[C@H]1CC1(F)F)C(C)C ZINC000851381357 588603142 /nfs/dbraw/zinc/60/31/42/588603142.db2.gz KFWPJZNOFZQLNV-QWRGUYRKSA-N 0 0 248.313 3.647 20 0 BHADRN CCC[C@@H](C(=O)OCC[C@H]1CC1(F)F)C(C)C ZINC000851381358 588603276 /nfs/dbraw/zinc/60/32/76/588603276.db2.gz KFWPJZNOFZQLNV-WDEREUQCSA-N 0 0 248.313 3.647 20 0 BHADRN CCC(CC)(CC)C(=O)OCC[C@H]1CC1(F)F ZINC000851381493 588603316 /nfs/dbraw/zinc/60/33/16/588603316.db2.gz LAUYLWPEVXYEDO-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CCC(CC)(CC)C(=O)OCC[C@@H]1CC1(F)F ZINC000851381494 588603118 /nfs/dbraw/zinc/60/31/18/588603118.db2.gz LAUYLWPEVXYEDO-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)OCC[C@H]1CC1(F)F ZINC000851382472 588603368 /nfs/dbraw/zinc/60/33/68/588603368.db2.gz BOTOWMDWVCVJRU-PCYYEKQGSA-N 0 0 246.297 3.567 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)OCC[C@H]1CC1(F)F ZINC000851382473 588603471 /nfs/dbraw/zinc/60/34/71/588603471.db2.gz BOTOWMDWVCVJRU-RNKPRXRFSA-N 0 0 246.297 3.567 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)OCC[C@@H]1CC1(F)F ZINC000851382474 588603376 /nfs/dbraw/zinc/60/33/76/588603376.db2.gz BOTOWMDWVCVJRU-TTZKWOQHSA-N 0 0 246.297 3.567 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)OCC[C@@H]1CC1(F)F ZINC000851382475 588603431 /nfs/dbraw/zinc/60/34/31/588603431.db2.gz BOTOWMDWVCVJRU-UJICNMFASA-N 0 0 246.297 3.567 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCC[C@@H]1CC1(F)F ZINC000851382919 588603424 /nfs/dbraw/zinc/60/34/24/588603424.db2.gz DXTCWPUCWAVLHJ-GXSJLCMTSA-N 0 0 248.313 3.647 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCC[C@H]1CC1(F)F ZINC000851382920 588603380 /nfs/dbraw/zinc/60/33/80/588603380.db2.gz DXTCWPUCWAVLHJ-KOLCDFICSA-N 0 0 248.313 3.647 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)OCC[C@@H]1CC1(F)F ZINC000851382922 588603498 /nfs/dbraw/zinc/60/34/98/588603498.db2.gz DXTCWPUCWAVLHJ-MWLCHTKSSA-N 0 0 248.313 3.647 20 0 BHADRN CCC(CC)[C@H](C)C(=O)OCC[C@H]1CC1(F)F ZINC000851382924 588603369 /nfs/dbraw/zinc/60/33/69/588603369.db2.gz DXTCWPUCWAVLHJ-ONGXEEELSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)OCC[C@@H]1CC1(F)F ZINC000851383593 588603416 /nfs/dbraw/zinc/60/34/16/588603416.db2.gz ONVXFHLNJWHYPM-NXEZZACHSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)OCC[C@H]1CC1(F)F ZINC000851383594 588603488 /nfs/dbraw/zinc/60/34/88/588603488.db2.gz ONVXFHLNJWHYPM-UWVGGRQHSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@@H](CC(C)(C)C)C(=O)OCC[C@@H]1CC1(F)F ZINC000851383595 588603436 /nfs/dbraw/zinc/60/34/36/588603436.db2.gz ONVXFHLNJWHYPM-VHSXEESVSA-N 0 0 248.313 3.647 20 0 BHADRN C[C@H](CC(C)(C)C)C(=O)OCC[C@H]1CC1(F)F ZINC000851383596 588603331 /nfs/dbraw/zinc/60/33/31/588603331.db2.gz ONVXFHLNJWHYPM-ZJUUUORDSA-N 0 0 248.313 3.647 20 0 BHADRN CCCC(C)(C)CC(=O)OCC[C@H]1CC1(F)F ZINC000851384133 588603330 /nfs/dbraw/zinc/60/33/30/588603330.db2.gz BZNOXTGDTKIIOM-JTQLQIEISA-N 0 0 248.313 3.791 20 0 BHADRN CCCC(C)(C)CC(=O)OCC[C@@H]1CC1(F)F ZINC000851384134 582958589 /nfs/dbraw/zinc/95/85/89/582958589.db2.gz BZNOXTGDTKIIOM-SNVBAGLBSA-N 0 0 248.313 3.791 20 0 BHADRN CC1(CC(=O)OCC[C@H]2CC2(F)F)CCCC1 ZINC000851385235 588603673 /nfs/dbraw/zinc/60/36/73/588603673.db2.gz JLJKBZAQHBUHPY-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CC1(CC(=O)OCC[C@@H]2CC2(F)F)CCCC1 ZINC000851385236 588603627 /nfs/dbraw/zinc/60/36/27/588603627.db2.gz JLJKBZAQHBUHPY-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN CC(C)(C)C(C)(C)C(=O)OCC[C@@H]1CC1(F)F ZINC000851385259 588603527 /nfs/dbraw/zinc/60/35/27/588603527.db2.gz JYSRSWSFVAPOFK-SECBINFHSA-N 0 0 248.313 3.647 20 0 BHADRN CC(C)(C)C(C)(C)C(=O)OCC[C@H]1CC1(F)F ZINC000851385260 588603538 /nfs/dbraw/zinc/60/35/38/588603538.db2.gz JYSRSWSFVAPOFK-VIFPVBQESA-N 0 0 248.313 3.647 20 0 BHADRN CCC[C@@](C)(CC)C(=O)OCC[C@H]1CC1(F)F ZINC000851386306 588603751 /nfs/dbraw/zinc/60/37/51/588603751.db2.gz WJJWTWMJRKZWGU-CMPLNLGQSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@](C)(CC)C(=O)OCC[C@H]1CC1(F)F ZINC000851386307 588603765 /nfs/dbraw/zinc/60/37/65/588603765.db2.gz WJJWTWMJRKZWGU-JQWIXIFHSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@](C)(CC)C(=O)OCC[C@@H]1CC1(F)F ZINC000851386308 588603856 /nfs/dbraw/zinc/60/38/56/588603856.db2.gz WJJWTWMJRKZWGU-PWSUYJOCSA-N 0 0 248.313 3.791 20 0 BHADRN CCC[C@@](C)(CC)C(=O)OCC[C@@H]1CC1(F)F ZINC000851386309 588603893 /nfs/dbraw/zinc/60/38/93/588603893.db2.gz WJJWTWMJRKZWGU-ZYHUDNBSSA-N 0 0 248.313 3.791 20 0 BHADRN CC1(C(=O)OCC[C@H]2CC2(F)F)CCCCC1 ZINC000851386375 588603804 /nfs/dbraw/zinc/60/38/04/588603804.db2.gz XTOAGGHVDVANGJ-JTQLQIEISA-N 0 0 246.297 3.545 20 0 BHADRN CC1(C(=O)OCC[C@@H]2CC2(F)F)CCCCC1 ZINC000851386376 588603837 /nfs/dbraw/zinc/60/38/37/588603837.db2.gz XTOAGGHVDVANGJ-SNVBAGLBSA-N 0 0 246.297 3.545 20 0 BHADRN CC[C@H](CC(C)C)C(=O)OCC[C@@H]1CC1(F)F ZINC000851386590 582959077 /nfs/dbraw/zinc/95/90/77/582959077.db2.gz XRURTWSWKIAUMN-GHMZBOCLSA-N 0 0 248.313 3.647 20 0 BHADRN CC[C@H](CC(C)C)C(=O)OCC[C@H]1CC1(F)F ZINC000851386591 582958928 /nfs/dbraw/zinc/95/89/28/582958928.db2.gz XRURTWSWKIAUMN-MNOVXSKESA-N 0 0 248.313 3.647 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)OCC[C@H]1CC1(F)F ZINC000851386592 582959188 /nfs/dbraw/zinc/95/91/88/582959188.db2.gz XRURTWSWKIAUMN-QWRGUYRKSA-N 0 0 248.313 3.647 20 0 BHADRN CC[C@@H](CC(C)C)C(=O)OCC[C@@H]1CC1(F)F ZINC000851386593 582958903 /nfs/dbraw/zinc/95/89/03/582958903.db2.gz XRURTWSWKIAUMN-WDEREUQCSA-N 0 0 248.313 3.647 20 0 BHADRN CCC[C@@H]1CCCC[C@H]1OC(=O)CCC(F)F ZINC000851452513 588605407 /nfs/dbraw/zinc/60/54/07/588605407.db2.gz JRGBBWRRFFNYGM-GHMZBOCLSA-N 0 0 248.313 3.934 20 0 BHADRN CCC[C@@H]1CCCC[C@@H]1OC(=O)CCC(F)F ZINC000851452515 588605408 /nfs/dbraw/zinc/60/54/08/588605408.db2.gz JRGBBWRRFFNYGM-MNOVXSKESA-N 0 0 248.313 3.934 20 0 BHADRN CCC[C@H]1CCCC[C@@H]1OC(=O)CCC(F)F ZINC000851452517 588605398 /nfs/dbraw/zinc/60/53/98/588605398.db2.gz JRGBBWRRFFNYGM-QWRGUYRKSA-N 0 0 248.313 3.934 20 0 BHADRN CCC[C@H]1CCCC[C@H]1OC(=O)CCC(F)F ZINC000851452519 588605323 /nfs/dbraw/zinc/60/53/23/588605323.db2.gz JRGBBWRRFFNYGM-WDEREUQCSA-N 0 0 248.313 3.934 20 0 BHADRN CCCC(=O)O[C@H](C)c1coc2ccccc21 ZINC000851475233 582960601 /nfs/dbraw/zinc/96/06/01/582960601.db2.gz AAMANJVMOWUUNH-SNVBAGLBSA-N 0 0 232.279 3.837 20 0 BHADRN CC(C)C(=O)O[C@H](C)c1coc2ccccc21 ZINC000851475467 588606677 /nfs/dbraw/zinc/60/66/77/588606677.db2.gz CRRBOQQCDMVFEG-SNVBAGLBSA-N 0 0 232.279 3.693 20 0 BHADRN C[C@@H](OC(=O)CC1CC1)c1coc2ccccc21 ZINC000851475769 588606523 /nfs/dbraw/zinc/60/65/23/588606523.db2.gz JBWBPLXUYDTXKS-SNVBAGLBSA-N 0 0 244.290 3.837 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1C[C@H]1C)c1coc2ccccc21 ZINC000851475953 588606591 /nfs/dbraw/zinc/60/65/91/588606591.db2.gz MIIRTBXINNTEIA-CKYFFXLPSA-N 0 0 244.290 3.693 20 0 BHADRN C[C@@H](OC(=O)[C@H]1C[C@H]1C)c1coc2ccccc21 ZINC000851475954 588606626 /nfs/dbraw/zinc/60/66/26/588606626.db2.gz MIIRTBXINNTEIA-FOGDFJRCSA-N 0 0 244.290 3.693 20 0 BHADRN C[C@@H](OC(=O)[C@@H]1C[C@@H]1C)c1coc2ccccc21 ZINC000851475955 588606513 /nfs/dbraw/zinc/60/65/13/588606513.db2.gz MIIRTBXINNTEIA-HOSYDEDBSA-N 0 0 244.290 3.693 20 0 BHADRN C[C@@H](OC(=O)[C@H]1C[C@@H]1C)c1coc2ccccc21 ZINC000851475956 588606657 /nfs/dbraw/zinc/60/66/57/588606657.db2.gz MIIRTBXINNTEIA-UMNHJUIQSA-N 0 0 244.290 3.693 20 0 BHADRN C[C@@H](OC(=O)C1CCC1)c1coc2ccccc21 ZINC000851475975 588606553 /nfs/dbraw/zinc/60/65/53/588606553.db2.gz MWXIIQWDXZIGKP-SNVBAGLBSA-N 0 0 244.290 3.837 20 0 BHADRN C[C@@H](OC(=O)C1(C)CC1)c1coc2ccccc21 ZINC000851477481 588606645 /nfs/dbraw/zinc/60/66/45/588606645.db2.gz FEMJFAHIQWMQPW-SNVBAGLBSA-N 0 0 244.290 3.837 20 0 BHADRN CC(F)(F)CCC(=O)OCC1CC2(CCC2)C1 ZINC000851478018 588606556 /nfs/dbraw/zinc/60/65/56/588606556.db2.gz SHGALBXNKKWLCO-UHFFFAOYSA-N 0 0 246.297 3.545 20 0 BHADRN C[C@@H](OC(=O)C1(F)CC1)c1coc2ccccc21 ZINC000851478417 588606542 /nfs/dbraw/zinc/60/65/42/588606542.db2.gz XMKIFBHUFUPMQH-SECBINFHSA-N 0 0 248.253 3.539 20 0 BHADRN C[C@@H](C(=O)OCC1CC2(CCC2)C1)c1ccco1 ZINC000851479607 588606859 /nfs/dbraw/zinc/60/68/59/588606859.db2.gz VCWGTIYBDRXZOK-LLVKDONJSA-N 0 0 248.322 3.507 20 0 BHADRN C[C@H](C(=O)OCC1CC2(CCC2)C1)c1ccco1 ZINC000851479608 588606891 /nfs/dbraw/zinc/60/68/91/588606891.db2.gz VCWGTIYBDRXZOK-NSHDSACASA-N 0 0 248.322 3.507 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)C=C(C)C ZINC000851506665 588608337 /nfs/dbraw/zinc/60/83/37/588608337.db2.gz MHGBCFALCDIPAS-UHFFFAOYSA-N 0 0 234.286 3.567 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)c1ccoc1 ZINC000851506710 588608404 /nfs/dbraw/zinc/60/84/04/588608404.db2.gz NPFXGMODOVXSGV-UHFFFAOYSA-N 0 0 246.253 3.508 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)CC1CCC1 ZINC000851506969 588608416 /nfs/dbraw/zinc/60/84/16/588608416.db2.gz AUDPJTCRBXJVQO-UHFFFAOYSA-N 0 0 248.313 3.791 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)CC(C)C ZINC000851507102 588608323 /nfs/dbraw/zinc/60/83/23/588608323.db2.gz VKUJYAUEUVYANV-UHFFFAOYSA-N 0 0 236.302 3.647 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)c1ccco1 ZINC000851507109 588608466 /nfs/dbraw/zinc/60/84/66/588608466.db2.gz VUOIRKQSHKAKMY-UHFFFAOYSA-N 0 0 246.253 3.508 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)C1CC=CC1 ZINC000851507168 588608447 /nfs/dbraw/zinc/60/84/47/588608447.db2.gz DVUARFJCXJRDSJ-UHFFFAOYSA-N 0 0 246.297 3.567 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)/C=C/C1CC1 ZINC000851507200 588608489 /nfs/dbraw/zinc/60/84/89/588608489.db2.gz GDWCSZAUUQLZMY-BQYQJAHWSA-N 0 0 246.297 3.567 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)/C=C\C1CC1 ZINC000851507201 588608493 /nfs/dbraw/zinc/60/84/93/588608493.db2.gz GDWCSZAUUQLZMY-FPLPWBNLSA-N 0 0 246.297 3.567 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)C1=CCCC1 ZINC000851507250 588608383 /nfs/dbraw/zinc/60/83/83/588608383.db2.gz IBBYTWIQYCLNJZ-UHFFFAOYSA-N 0 0 246.297 3.711 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)CCC1CC1 ZINC000851507254 588608427 /nfs/dbraw/zinc/60/84/27/588608427.db2.gz IGDVTZMLVVONLO-UHFFFAOYSA-N 0 0 248.313 3.791 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)C1CCCC1 ZINC000851507342 588608361 /nfs/dbraw/zinc/60/83/61/588608361.db2.gz ZUMQLHFGOZLOJT-UHFFFAOYSA-N 0 0 248.313 3.791 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)C1(CC)CC1 ZINC000851507464 588608487 /nfs/dbraw/zinc/60/84/87/588608487.db2.gz KCSVYXJXBGILIC-UHFFFAOYSA-N 0 0 248.313 3.791 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)C1(C)CCC1 ZINC000851507521 588608480 /nfs/dbraw/zinc/60/84/80/588608480.db2.gz LOAAUURFCRUUEP-UHFFFAOYSA-N 0 0 248.313 3.791 20 0 BHADRN C/C=C(\C)C(=O)OCC(C)(C)C(F)(F)CC ZINC000851507533 582960442 /nfs/dbraw/zinc/96/04/42/582960442.db2.gz MAMBZUDYBTWGAP-RMKNXTFCSA-N 0 0 234.286 3.567 20 0 BHADRN C/C=C(/C)C(=O)OCC(C)(C)C(F)(F)CC ZINC000851507534 582960446 /nfs/dbraw/zinc/96/04/46/582960446.db2.gz MAMBZUDYBTWGAP-TWGQIWQCSA-N 0 0 234.286 3.567 20 0 BHADRN CC[C@@H](C)C(=O)OCC(C)(C)C(F)(F)CC ZINC000851507648 588608326 /nfs/dbraw/zinc/60/83/26/588608326.db2.gz LARHFOZQVCUUEZ-SECBINFHSA-N 0 0 236.302 3.647 20 0 BHADRN CC[C@H](C)C(=O)OCC(C)(C)C(F)(F)CC ZINC000851507650 588608341 /nfs/dbraw/zinc/60/83/41/588608341.db2.gz LARHFOZQVCUUEZ-VIFPVBQESA-N 0 0 236.302 3.647 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)C(C)(C)C ZINC000851507775 588608349 /nfs/dbraw/zinc/60/83/49/588608349.db2.gz MYSDSEVDXBYXMO-UHFFFAOYSA-N 0 0 236.302 3.647 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)C=C1CCC1 ZINC000851507984 588608393 /nfs/dbraw/zinc/60/83/93/588608393.db2.gz VRLOKWNCHTXCIK-UHFFFAOYSA-N 0 0 246.297 3.711 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)[C@H](C)C1CC1 ZINC000851508026 588608475 /nfs/dbraw/zinc/60/84/75/588608475.db2.gz WGJDITJCYCXWRN-SECBINFHSA-N 0 0 248.313 3.647 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)[C@@H](C)C1CC1 ZINC000851508028 588608426 /nfs/dbraw/zinc/60/84/26/588608426.db2.gz WGJDITJCYCXWRN-VIFPVBQESA-N 0 0 248.313 3.647 20 0 BHADRN CCCCC(=O)OCC(C)(C)C(F)(F)CC ZINC000851508067 588608405 /nfs/dbraw/zinc/60/84/05/588608405.db2.gz SALSQLWTBUQWRO-UHFFFAOYSA-N 0 0 236.302 3.791 20 0 BHADRN CCC(F)(F)C(C)(C)COC(=O)CC1(C)CC1 ZINC000851508395 588608315 /nfs/dbraw/zinc/60/83/15/588608315.db2.gz ATJWGQKUVRZPCM-UHFFFAOYSA-N 0 0 248.313 3.791 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)OCC(C)(C)C(F)(F)CC ZINC000851509168 588608438 /nfs/dbraw/zinc/60/84/38/588608438.db2.gz ABLYJXJTJDNREW-NXEZZACHSA-N 0 0 248.313 3.647 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)C1CCCCC1 ZINC000851534917 588608994 /nfs/dbraw/zinc/60/89/94/588608994.db2.gz AVURIAKCLVXXHG-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)C1CCCCC1 ZINC000851534919 588608923 /nfs/dbraw/zinc/60/89/23/588608923.db2.gz AVURIAKCLVXXHG-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN CCCCCC(=O)O[C@H](C)c1cccnc1C ZINC000851537722 712612069 /nfs/dbraw/zinc/61/20/69/712612069.db2.gz RKTFFWDRTHQDPR-GFCCVEGCSA-N 0 0 235.327 3.575 20 0 BHADRN CCCCCC(=O)O[C@@H](C)c1cccnc1C ZINC000851537723 712612092 /nfs/dbraw/zinc/61/20/92/712612092.db2.gz RKTFFWDRTHQDPR-LBPRGKRZSA-N 0 0 235.327 3.575 20 0 BHADRN CCC[C@H](C)CC(=O)O[C@@H](C)c1cccnc1C ZINC000851538836 645465394 /nfs/dbraw/zinc/46/53/94/645465394.db2.gz AKGRALQFVUVCRC-AAEUAGOBSA-N 0 0 249.354 3.821 20 0 BHADRN CCC[C@@H](C)CC(=O)O[C@H](C)c1cccnc1C ZINC000851538839 645466396 /nfs/dbraw/zinc/46/63/96/645466396.db2.gz AKGRALQFVUVCRC-DGCLKSJQSA-N 0 0 249.354 3.821 20 0 BHADRN CCC[C@H](C)CC(=O)O[C@H](C)c1cccnc1C ZINC000851538840 645466031 /nfs/dbraw/zinc/46/60/31/645466031.db2.gz AKGRALQFVUVCRC-WCQYABFASA-N 0 0 249.354 3.821 20 0 BHADRN CCC[C@@H](C)CC(=O)O[C@@H](C)c1cccnc1C ZINC000851538841 645465419 /nfs/dbraw/zinc/46/54/19/645465419.db2.gz AKGRALQFVUVCRC-YPMHNXCESA-N 0 0 249.354 3.821 20 0 BHADRN CCC1(C(=O)O[C@H](C)c2cccnc2C)CCC1 ZINC000851540136 588609258 /nfs/dbraw/zinc/60/92/58/588609258.db2.gz BDOJYXBTVAHLEJ-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN CCC1(C(=O)O[C@@H](C)c2cccnc2C)CCC1 ZINC000851540137 633157367 /nfs/dbraw/zinc/15/73/67/633157367.db2.gz BDOJYXBTVAHLEJ-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN CCC/C(C)=C\C(=O)O[C@H](C)c1cccnc1C ZINC000851540440 588609340 /nfs/dbraw/zinc/60/93/40/588609340.db2.gz YLGRJUJKPFSKMQ-BSYHEUMXSA-N 0 0 247.338 3.741 20 0 BHADRN CCC/C(C)=C/C(=O)O[C@@H](C)c1cccnc1C ZINC000851540441 588609261 /nfs/dbraw/zinc/60/92/61/588609261.db2.gz YLGRJUJKPFSKMQ-NHAQELONSA-N 0 0 247.338 3.741 20 0 BHADRN CCC/C(C)=C/C(=O)O[C@H](C)c1cccnc1C ZINC000851540442 588609317 /nfs/dbraw/zinc/60/93/17/588609317.db2.gz YLGRJUJKPFSKMQ-OCHBPSSRSA-N 0 0 247.338 3.741 20 0 BHADRN CCC/C(C)=C\C(=O)O[C@@H](C)c1cccnc1C ZINC000851540443 588609395 /nfs/dbraw/zinc/60/93/95/588609395.db2.gz YLGRJUJKPFSKMQ-OEYXZAGESA-N 0 0 247.338 3.741 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)C1(C)CCCC1 ZINC000851540690 588609225 /nfs/dbraw/zinc/60/92/25/588609225.db2.gz GHVFXUZCPFGLPF-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)C1(C)CCCC1 ZINC000851540691 588609292 /nfs/dbraw/zinc/60/92/92/588609292.db2.gz GHVFXUZCPFGLPF-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)CCC(C)(C)C ZINC000851540749 588609362 /nfs/dbraw/zinc/60/93/62/588609362.db2.gz HEOYHTXFRKGQOW-GFCCVEGCSA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)CCC(C)(C)C ZINC000851540750 588609400 /nfs/dbraw/zinc/60/94/00/588609400.db2.gz HEOYHTXFRKGQOW-LBPRGKRZSA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)CCC1CCC1 ZINC000851540909 588609253 /nfs/dbraw/zinc/60/92/53/588609253.db2.gz JUSJLOFUQUQEER-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)CCC1CCC1 ZINC000851540910 588609226 /nfs/dbraw/zinc/60/92/26/588609226.db2.gz JUSJLOFUQUQEER-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)[C@H](C)C(C)(C)C ZINC000851541029 588609277 /nfs/dbraw/zinc/60/92/77/588609277.db2.gz KHJKMBRVHBOBAW-CMPLNLGQSA-N 0 0 249.354 3.676 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)[C@H](C)C(C)(C)C ZINC000851541030 588609282 /nfs/dbraw/zinc/60/92/82/588609282.db2.gz KHJKMBRVHBOBAW-JQWIXIFHSA-N 0 0 249.354 3.676 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)[C@@H](C)C(C)(C)C ZINC000851541031 588609321 /nfs/dbraw/zinc/60/93/21/588609321.db2.gz KHJKMBRVHBOBAW-PWSUYJOCSA-N 0 0 249.354 3.676 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)[C@@H](C)C(C)(C)C ZINC000851541032 588609242 /nfs/dbraw/zinc/60/92/42/588609242.db2.gz KHJKMBRVHBOBAW-ZYHUDNBSSA-N 0 0 249.354 3.676 20 0 BHADRN CCCCCCC(=O)O[C@H](C)c1cccnc1C ZINC000851541802 588609372 /nfs/dbraw/zinc/60/93/72/588609372.db2.gz OCBYOKVFUCGWPC-CYBMUJFWSA-N 0 0 249.354 3.965 20 0 BHADRN CCCCCCC(=O)O[C@@H](C)c1cccnc1C ZINC000851541804 588609421 /nfs/dbraw/zinc/60/94/21/588609421.db2.gz OCBYOKVFUCGWPC-ZDUSSCGKSA-N 0 0 249.354 3.965 20 0 BHADRN CCC(C)(C)CC(=O)O[C@H](C)c1cccnc1C ZINC000851542302 588609354 /nfs/dbraw/zinc/60/93/54/588609354.db2.gz XOAOWCZMABRJSU-GFCCVEGCSA-N 0 0 249.354 3.821 20 0 BHADRN CCC(C)(C)CC(=O)O[C@@H](C)c1cccnc1C ZINC000851542303 588609235 /nfs/dbraw/zinc/60/92/35/588609235.db2.gz XOAOWCZMABRJSU-LBPRGKRZSA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)/C=C/C(C)(C)C ZINC000851542592 588609379 /nfs/dbraw/zinc/60/93/79/588609379.db2.gz YSYJMQHHDXEWGS-BCPZQOPPSA-N 0 0 247.338 3.597 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)/C=C/C(C)(C)C ZINC000851542594 588609374 /nfs/dbraw/zinc/60/93/74/588609374.db2.gz YSYJMQHHDXEWGS-IDVQTMNDSA-N 0 0 247.338 3.597 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)/C=C\C(C)(C)C ZINC000851542596 588609402 /nfs/dbraw/zinc/60/94/02/588609402.db2.gz YSYJMQHHDXEWGS-JLVNDZCYSA-N 0 0 247.338 3.597 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)/C=C\C(C)(C)C ZINC000851542599 588609241 /nfs/dbraw/zinc/60/92/41/588609241.db2.gz YSYJMQHHDXEWGS-LAUAKBEESA-N 0 0 247.338 3.597 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)C(C)(C)C(C)C ZINC000851542718 588609259 /nfs/dbraw/zinc/60/92/59/588609259.db2.gz BUYMOBCASMCLIE-GFCCVEGCSA-N 0 0 249.354 3.676 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)C(C)(C)C(C)C ZINC000851542720 588609307 /nfs/dbraw/zinc/60/93/07/588609307.db2.gz BUYMOBCASMCLIE-LBPRGKRZSA-N 0 0 249.354 3.676 20 0 BHADRN CCC(CC)CC(=O)O[C@H](C)c1cccnc1C ZINC000851543068 588609304 /nfs/dbraw/zinc/60/93/04/588609304.db2.gz FLOKUJVBHFNGGW-GFCCVEGCSA-N 0 0 249.354 3.821 20 0 BHADRN CCC(CC)CC(=O)O[C@@H](C)c1cccnc1C ZINC000851543069 588609526 /nfs/dbraw/zinc/60/95/26/588609526.db2.gz FLOKUJVBHFNGGW-LBPRGKRZSA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)CC1CCCC1 ZINC000851543220 588609352 /nfs/dbraw/zinc/60/93/52/588609352.db2.gz VSPUOIFMCNNSMT-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)CC1CCCC1 ZINC000851543222 588609473 /nfs/dbraw/zinc/60/94/73/588609473.db2.gz VSPUOIFMCNNSMT-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN CCC(=CC(=O)O[C@H](C)c1cccnc1C)CC ZINC000851543483 588609555 /nfs/dbraw/zinc/60/95/55/588609555.db2.gz JKNVIBPAWMVJSR-GFCCVEGCSA-N 0 0 247.338 3.741 20 0 BHADRN CCC(=CC(=O)O[C@@H](C)c1cccnc1C)CC ZINC000851543484 588609570 /nfs/dbraw/zinc/60/95/70/588609570.db2.gz JKNVIBPAWMVJSR-LBPRGKRZSA-N 0 0 247.338 3.741 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)O[C@H](C)c1cccnc1C ZINC000851543872 588609532 /nfs/dbraw/zinc/60/95/32/588609532.db2.gz MBVBTQYCBQUTKO-DMDPSCGWSA-N 0 0 249.354 3.676 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)O[C@H](C)c1cccnc1C ZINC000851543873 588609596 /nfs/dbraw/zinc/60/95/96/588609596.db2.gz MBVBTQYCBQUTKO-GMXVVIOVSA-N 0 0 249.354 3.676 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)O[C@@H](C)c1cccnc1C ZINC000851543874 588609598 /nfs/dbraw/zinc/60/95/98/588609598.db2.gz MBVBTQYCBQUTKO-GVXVVHGQSA-N 0 0 249.354 3.676 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)c1cccnc1C ZINC000851543876 588609550 /nfs/dbraw/zinc/60/95/50/588609550.db2.gz MBVBTQYCBQUTKO-LOWVWBTDSA-N 0 0 249.354 3.676 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)[C@@H](C)CC(C)C ZINC000851544255 588609503 /nfs/dbraw/zinc/60/95/03/588609503.db2.gz LPNIDWGGDXMBLE-AAEUAGOBSA-N 0 0 249.354 3.676 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)[C@H](C)CC(C)C ZINC000851544256 588609563 /nfs/dbraw/zinc/60/95/63/588609563.db2.gz LPNIDWGGDXMBLE-DGCLKSJQSA-N 0 0 249.354 3.676 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)[C@@H](C)CC(C)C ZINC000851544257 588609517 /nfs/dbraw/zinc/60/95/17/588609517.db2.gz LPNIDWGGDXMBLE-WCQYABFASA-N 0 0 249.354 3.676 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)[C@H](C)CC(C)C ZINC000851544259 588609620 /nfs/dbraw/zinc/60/96/20/588609620.db2.gz LPNIDWGGDXMBLE-YPMHNXCESA-N 0 0 249.354 3.676 20 0 BHADRN CCC(C)(CC)C(=O)O[C@H](C)c1cccnc1C ZINC000851544423 588609565 /nfs/dbraw/zinc/60/95/65/588609565.db2.gz NWRFFSODKSLECN-GFCCVEGCSA-N 0 0 249.354 3.821 20 0 BHADRN CCC(C)(CC)C(=O)O[C@@H](C)c1cccnc1C ZINC000851544424 588609470 /nfs/dbraw/zinc/60/94/70/588609470.db2.gz NWRFFSODKSLECN-LBPRGKRZSA-N 0 0 249.354 3.821 20 0 BHADRN CCCC1(C(=O)O[C@H](C)c2cccnc2C)CC1 ZINC000851544533 633157964 /nfs/dbraw/zinc/15/79/64/633157964.db2.gz SANVRGODJWYDAW-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN CCCC1(C(=O)O[C@@H](C)c2cccnc2C)CC1 ZINC000851544534 633158371 /nfs/dbraw/zinc/15/83/71/633158371.db2.gz SANVRGODJWYDAW-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN CC[C@H](C)CCC(=O)O[C@@H](C)c1cccnc1C ZINC000851545397 588609496 /nfs/dbraw/zinc/60/94/96/588609496.db2.gz BEJIGCCVWZLXNA-AAEUAGOBSA-N 0 0 249.354 3.821 20 0 BHADRN CC[C@@H](C)CCC(=O)O[C@H](C)c1cccnc1C ZINC000851545398 588609445 /nfs/dbraw/zinc/60/94/45/588609445.db2.gz BEJIGCCVWZLXNA-DGCLKSJQSA-N 0 0 249.354 3.821 20 0 BHADRN CC[C@H](C)CCC(=O)O[C@H](C)c1cccnc1C ZINC000851545400 588609449 /nfs/dbraw/zinc/60/94/49/588609449.db2.gz BEJIGCCVWZLXNA-WCQYABFASA-N 0 0 249.354 3.821 20 0 BHADRN CC[C@@H](C)CCC(=O)O[C@@H](C)c1cccnc1C ZINC000851545401 588609440 /nfs/dbraw/zinc/60/94/40/588609440.db2.gz BEJIGCCVWZLXNA-YPMHNXCESA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)CCCC1CC1 ZINC000851545421 588609455 /nfs/dbraw/zinc/60/94/55/588609455.db2.gz BTRGSXTXYILZGQ-GFCCVEGCSA-N 0 0 247.338 3.575 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)CCCC1CC1 ZINC000851545423 588609425 /nfs/dbraw/zinc/60/94/25/588609425.db2.gz BTRGSXTXYILZGQ-LBPRGKRZSA-N 0 0 247.338 3.575 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@@H](C)c1cccnc1C ZINC000851546282 588609613 /nfs/dbraw/zinc/60/96/13/588609613.db2.gz NKFXYDKQVMMWAV-AAEUAGOBSA-N 0 0 249.354 3.821 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@H](C)c1cccnc1C ZINC000851546286 588609557 /nfs/dbraw/zinc/60/95/57/588609557.db2.gz NKFXYDKQVMMWAV-DGCLKSJQSA-N 0 0 249.354 3.821 20 0 BHADRN CCCC[C@H](C)C(=O)O[C@H](C)c1cccnc1C ZINC000851546289 588609619 /nfs/dbraw/zinc/60/96/19/588609619.db2.gz NKFXYDKQVMMWAV-WCQYABFASA-N 0 0 249.354 3.821 20 0 BHADRN CCCC[C@@H](C)C(=O)O[C@@H](C)c1cccnc1C ZINC000851546292 588609551 /nfs/dbraw/zinc/60/95/51/588609551.db2.gz NKFXYDKQVMMWAV-YPMHNXCESA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ncccc1[C@@H](C)OC(=O)CCCC(C)C ZINC000851546401 588609500 /nfs/dbraw/zinc/60/95/00/588609500.db2.gz OCWRWQKIOYRWQC-CYBMUJFWSA-N 0 0 249.354 3.821 20 0 BHADRN Cc1ncccc1[C@H](C)OC(=O)CCCC(C)C ZINC000851546404 588609597 /nfs/dbraw/zinc/60/95/97/588609597.db2.gz OCWRWQKIOYRWQC-ZDUSSCGKSA-N 0 0 249.354 3.821 20 0 BHADRN CCCC(C)(C)C(=O)O[C@H](C)c1cccnc1C ZINC000851547242 588609544 /nfs/dbraw/zinc/60/95/44/588609544.db2.gz LGTAVPHUTZBQRO-GFCCVEGCSA-N 0 0 249.354 3.821 20 0 BHADRN CCCC(C)(C)C(=O)O[C@@H](C)c1cccnc1C ZINC000851547244 588609552 /nfs/dbraw/zinc/60/95/52/588609552.db2.gz LGTAVPHUTZBQRO-LBPRGKRZSA-N 0 0 249.354 3.821 20 0 BHADRN CN(CC=C(Cl)Cl)Cc1ccccc1F ZINC000851712428 588615763 /nfs/dbraw/zinc/61/57/63/588615763.db2.gz OHMBRLZMVJBTAX-UHFFFAOYSA-N 0 0 248.128 3.577 20 0 BHADRN CN(CC=C(Cl)Cl)Cc1ccc(F)cc1 ZINC000851712449 588615823 /nfs/dbraw/zinc/61/58/23/588615823.db2.gz OQBJLZRDAUCMTG-UHFFFAOYSA-N 0 0 248.128 3.577 20 0 BHADRN CN(CC=C(Cl)Cl)Cc1cccc(F)c1 ZINC000851718617 588616863 /nfs/dbraw/zinc/61/68/63/588616863.db2.gz NAWFOXIVBHTSRA-UHFFFAOYSA-N 0 0 248.128 3.577 20 0 BHADRN Cc1nc(CN(C)c2ccc(C)c(C)c2)c(C)o1 ZINC000851731478 588619423 /nfs/dbraw/zinc/61/94/23/588619423.db2.gz ROJCVCDSCRNROR-UHFFFAOYSA-N 0 0 244.338 3.545 20 0 BHADRN Cc1nc(CN(C)c2ccc(C)cc2C)c(C)o1 ZINC000851731748 588619319 /nfs/dbraw/zinc/61/93/19/588619319.db2.gz AZXOIWWDJGWINT-UHFFFAOYSA-N 0 0 244.338 3.545 20 0 BHADRN CC(C)N(CC=C(Cl)Cl)Cc1ccco1 ZINC000851738402 588620999 /nfs/dbraw/zinc/62/09/99/588620999.db2.gz FUHQIRDFWDYRCM-UHFFFAOYSA-N 0 0 248.153 3.809 20 0 BHADRN C[C@H](c1ccco1)N(C)CC=C(Cl)Cl ZINC000851738746 588620920 /nfs/dbraw/zinc/62/09/20/588620920.db2.gz QHQYSRZFKMGXIP-MRVPVSSYSA-N 0 0 234.126 3.591 20 0 BHADRN C[C@@H](c1ccco1)N(C)CC=C(Cl)Cl ZINC000851738747 588620729 /nfs/dbraw/zinc/62/07/29/588620729.db2.gz QHQYSRZFKMGXIP-QMMMGPOBSA-N 0 0 234.126 3.591 20 0 BHADRN C[C@@H]1c2ccccc2CN1CC=C(Cl)Cl ZINC000851795472 712612371 /nfs/dbraw/zinc/61/23/71/712612371.db2.gz CLHRVZYNBVAFIB-SECBINFHSA-N 0 0 242.149 3.882 20 0 BHADRN C[C@H]1c2ccccc2CN1CC=C(Cl)Cl ZINC000851795473 712612397 /nfs/dbraw/zinc/61/23/97/712612397.db2.gz CLHRVZYNBVAFIB-VIFPVBQESA-N 0 0 242.149 3.882 20 0 BHADRN ClC(Cl)=CCN1CC[C@@H]1c1ccccc1 ZINC000851799448 588630373 /nfs/dbraw/zinc/63/03/73/588630373.db2.gz AJEPYGFOKNXMGJ-LLVKDONJSA-N 0 0 242.149 3.752 20 0 BHADRN ClC(Cl)=CCN1CC[C@H]1c1ccccc1 ZINC000851799452 588630446 /nfs/dbraw/zinc/63/04/46/588630446.db2.gz AJEPYGFOKNXMGJ-NSHDSACASA-N 0 0 242.149 3.752 20 0 BHADRN Cc1nc(CN(C)c2ccc(C(C)C)cc2)co1 ZINC000851814400 588633106 /nfs/dbraw/zinc/63/31/06/588633106.db2.gz OKEAFOQZIJQUEZ-UHFFFAOYSA-N 0 0 244.338 3.743 20 0 BHADRN CC(C)N(Cc1cccc(F)n1)c1ccccc1 ZINC000851824678 588633735 /nfs/dbraw/zinc/63/37/35/588633735.db2.gz KOWIIUXUSPGNSU-UHFFFAOYSA-N 0 0 244.313 3.636 20 0 BHADRN CCN(Cc1cccc(F)n1)c1ccccc1C ZINC000851825058 588633657 /nfs/dbraw/zinc/63/36/57/588633657.db2.gz CJBGERKGMRKWJS-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCN(Cc1cncs1)c1ccc(C)cc1C ZINC000851825199 588633637 /nfs/dbraw/zinc/63/36/37/588633637.db2.gz DPPOHTKZNKQEPT-UHFFFAOYSA-N 0 0 246.379 3.786 20 0 BHADRN CCN(Cc1cccc(F)n1)c1cccc(C)c1 ZINC000851826721 588633841 /nfs/dbraw/zinc/63/38/41/588633841.db2.gz VPUIXYUCHUCTNZ-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCN(Cc1cccc(F)n1)c1ccc(C)cc1 ZINC000851827167 633193554 /nfs/dbraw/zinc/19/35/54/633193554.db2.gz CBWBCDUTPDKSLI-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN CCN(Cc1nc(C)oc1C)c1ccc(C)cc1 ZINC000851827658 588633760 /nfs/dbraw/zinc/63/37/60/588633760.db2.gz HQBPPCUDGDGKFR-UHFFFAOYSA-N 0 0 244.338 3.626 20 0 BHADRN CCc1ccc(N(CC)Cc2coc(C)n2)cc1 ZINC000851828786 588633726 /nfs/dbraw/zinc/63/37/26/588633726.db2.gz CKVQBZWBBVBTNJ-UHFFFAOYSA-N 0 0 244.338 3.572 20 0 BHADRN CCc1nocc1CN(CC)c1ccc(C)cc1 ZINC000851829459 588633777 /nfs/dbraw/zinc/63/37/77/588633777.db2.gz XYFXKGGTANXOED-UHFFFAOYSA-N 0 0 244.338 3.572 20 0 BHADRN CCc1ccc(N(CC)Cc2conc2C)cc1 ZINC000851830475 588634025 /nfs/dbraw/zinc/63/40/25/588634025.db2.gz WZTWQBFVBYWXHI-UHFFFAOYSA-N 0 0 244.338 3.572 20 0 BHADRN CCc1ccc(N(CC)Cc2cncs2)cc1 ZINC000851830561 588633972 /nfs/dbraw/zinc/63/39/72/588633972.db2.gz ZMKQORWYDWAGCL-UHFFFAOYSA-N 0 0 246.379 3.732 20 0 BHADRN Cc1ccc(N(Cc2cncs2)C(C)C)cc1 ZINC000851837120 588633973 /nfs/dbraw/zinc/63/39/73/588633973.db2.gz RXRWOFAQUHCQRI-UHFFFAOYSA-N 0 0 246.379 3.867 20 0 BHADRN ClC(Cl)=CCNC1(c2ccccc2)CC1 ZINC000851896330 588641713 /nfs/dbraw/zinc/64/17/13/588641713.db2.gz CSOPXPBFRKLQFC-UHFFFAOYSA-N 0 0 242.149 3.584 20 0 BHADRN C[N@H+](CC=C(Cl)Cl)C1(C)CCCC1 ZINC000851993705 588652909 /nfs/dbraw/zinc/65/29/09/588652909.db2.gz KUPYUGKGIYSSIQ-UHFFFAOYSA-N 0 0 222.159 3.570 20 0 BHADRN ClC(Cl)=CC[N@H+](CC1CC1)C1CCC1 ZINC000852002988 588654392 /nfs/dbraw/zinc/65/43/92/588654392.db2.gz HKUZOKOHHVIIJE-UHFFFAOYSA-N 0 0 234.170 3.570 20 0 BHADRN CC[C@@H](CC(F)F)CN(CC(C)(C)C)OC ZINC000852039520 588657076 /nfs/dbraw/zinc/65/70/76/588657076.db2.gz FXVYYDMICFGBLQ-JTQLQIEISA-N 0 0 237.334 3.577 20 0 BHADRN CC[C@H](CC(F)F)CN(CC(C)(C)C)OC ZINC000852039521 588657244 /nfs/dbraw/zinc/65/72/44/588657244.db2.gz FXVYYDMICFGBLQ-SNVBAGLBSA-N 0 0 237.334 3.577 20 0 BHADRN CCC(C)(C)[C@@H](C)[NH2+]Cc1csc(Cl)n1 ZINC000852355015 588679612 /nfs/dbraw/zinc/67/96/12/588679612.db2.gz MMDLCSXHOGJSCR-MRVPVSSYSA-N 0 0 246.807 3.711 20 0 BHADRN CCC(C)(C)[C@H](C)[NH2+]Cc1csc(Cl)n1 ZINC000852355016 588679560 /nfs/dbraw/zinc/67/95/60/588679560.db2.gz MMDLCSXHOGJSCR-QMMMGPOBSA-N 0 0 246.807 3.711 20 0 BHADRN CCC(C)(C)[C@@H](C)[NH2+]Cc1ncc(C(C)C)o1 ZINC000852355990 588679640 /nfs/dbraw/zinc/67/96/40/588679640.db2.gz PXMBGELMRIWDCN-LLVKDONJSA-N 0 0 238.375 3.712 20 0 BHADRN CCC(C)(C)[C@H](C)[NH2+]Cc1ncc(C(C)C)o1 ZINC000852355991 588679662 /nfs/dbraw/zinc/67/96/62/588679662.db2.gz PXMBGELMRIWDCN-NSHDSACASA-N 0 0 238.375 3.712 20 0 BHADRN Fc1ccc([C@@H]2CCN2Cc2ccsc2)cc1 ZINC000852469223 645485661 /nfs/dbraw/zinc/48/56/61/645485661.db2.gz UPIKKQQLDYWEMM-AWEZNQCLSA-N 0 0 247.338 3.834 20 0 BHADRN Fc1ccc([C@H]2CCN2Cc2ccsc2)cc1 ZINC000852469401 645485222 /nfs/dbraw/zinc/48/52/22/645485222.db2.gz UPIKKQQLDYWEMM-CQSZACIVSA-N 0 0 247.338 3.834 20 0 BHADRN ClC1(c2csc(NCC3CCC3)n2)CC1 ZINC000853000015 588715089 /nfs/dbraw/zinc/71/50/89/588715089.db2.gz AGOPPPYWKGWBIR-UHFFFAOYSA-N 0 0 242.775 3.583 20 0 BHADRN ClC1(c2csc(Cc3ccccc3)n2)CC1 ZINC000853000057 588714911 /nfs/dbraw/zinc/71/49/11/588714911.db2.gz BFZAHECRNIJQKN-UHFFFAOYSA-N 0 0 249.766 3.962 20 0 BHADRN ClC1(c2csc(-c3ccco3)n2)CC1 ZINC000853000139 588715065 /nfs/dbraw/zinc/71/50/65/588715065.db2.gz DSEPHIUXUCLZKZ-UHFFFAOYSA-N 0 0 225.700 3.631 20 0 BHADRN CCCCNc1nc(C2(Cl)CC2)cs1 ZINC000853000461 588714940 /nfs/dbraw/zinc/71/49/40/588714940.db2.gz MORCIWFDDQZCMQ-UHFFFAOYSA-N 0 0 230.764 3.583 20 0 BHADRN ClC1(c2csc(NC3CCCC3)n2)CC1 ZINC000853000820 588714932 /nfs/dbraw/zinc/71/49/32/588714932.db2.gz QFKRNGLCZJRXKM-UHFFFAOYSA-N 0 0 242.775 3.726 20 0 BHADRN CCCCc1nc(C2(Cl)CC2)cs1 ZINC000853000862 588715058 /nfs/dbraw/zinc/71/50/58/588715058.db2.gz ROEAZJPHTFENAD-UHFFFAOYSA-N 0 0 215.749 3.714 20 0 BHADRN ClC1(c2csc(C3CCC3)n2)CC1 ZINC000853001168 588715075 /nfs/dbraw/zinc/71/50/75/588715075.db2.gz LYCWXVADPXTUHF-UHFFFAOYSA-N 0 0 213.733 3.639 20 0 BHADRN ClC1(c2csc(-c3ccoc3)n2)CC1 ZINC000853001203 588715150 /nfs/dbraw/zinc/71/51/50/588715150.db2.gz MQZQSYFISVVMNS-UHFFFAOYSA-N 0 0 225.700 3.631 20 0 BHADRN CC(C)Cc1nc(C2(Cl)CC2)cs1 ZINC000853001232 588715127 /nfs/dbraw/zinc/71/51/27/588715127.db2.gz NLBQYVYBOIAEQB-UHFFFAOYSA-N 0 0 215.749 3.570 20 0 BHADRN Cc1ccc(-c2nc(C3(Cl)CC3)cs2)o1 ZINC000853001729 588715290 /nfs/dbraw/zinc/71/52/90/588715290.db2.gz YPSGERHNLMQRHO-UHFFFAOYSA-N 0 0 239.727 3.939 20 0 BHADRN CCCCCCc1csc(Cn2ccnc2)n1 ZINC000853002307 588715241 /nfs/dbraw/zinc/71/52/41/588715241.db2.gz KVPRWMQWMYEIDV-UHFFFAOYSA-N 0 0 249.383 3.511 20 0 BHADRN CC[C@@H](C)c1nc(C2(Cl)CC2)cs1 ZINC000853004006 588715266 /nfs/dbraw/zinc/71/52/66/588715266.db2.gz RFNNWKXMNRWIEE-SSDOTTSWSA-N 0 0 215.749 3.885 20 0 BHADRN CC[C@H](C)c1nc(C2(Cl)CC2)cs1 ZINC000853004007 588715334 /nfs/dbraw/zinc/71/53/34/588715334.db2.gz RFNNWKXMNRWIEE-ZETCQYMHSA-N 0 0 215.749 3.885 20 0 BHADRN Cc1ccc(C(C)C)c(OCCOC(F)F)c1 ZINC000853012472 588715454 /nfs/dbraw/zinc/71/54/54/588715454.db2.gz AMXLMYXORFRTLL-UHFFFAOYSA-N 0 0 244.281 3.736 20 0 BHADRN c1ccc(SCCC2SCCS2)cc1 ZINC000853012684 588715412 /nfs/dbraw/zinc/71/54/12/588715412.db2.gz GPKFQVBVGBDDCP-UHFFFAOYSA-N 0 0 242.434 3.975 20 0 BHADRN FC(F)OCCSc1ccccc1Cl ZINC000853012691 588715528 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20 0 BHADRN CC(C)=CCCSCC(F)(F)C(F)F ZINC000853792422 588763617 /nfs/dbraw/zinc/76/36/17/588763617.db2.gz RODWLRWWYAWJOD-UHFFFAOYSA-N 0 0 230.270 3.976 20 0 BHADRN FC(F)C(F)(F)CSCCC1CCC1 ZINC000853792506 588763616 /nfs/dbraw/zinc/76/36/16/588763616.db2.gz UVVFEJGVSNNILO-UHFFFAOYSA-N 0 0 230.270 3.810 20 0 BHADRN FC(F)C(F)(F)CSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000853793125 588763646 /nfs/dbraw/zinc/76/36/46/588763646.db2.gz PSVAHZOPHBWIRV-RNLVFQAGSA-N 0 0 242.281 3.666 20 0 BHADRN Cc1ccc(CCSCCOC(F)F)cc1 ZINC000853793823 583067283 /nfs/dbraw/zinc/06/72/83/583067283.db2.gz AALIHWYJRJAIPL-UHFFFAOYSA-N 0 0 246.322 3.510 20 0 BHADRN FC(F)OCCSCCC1CCCC1 ZINC000853794937 588763852 /nfs/dbraw/zinc/76/38/52/588763852.db2.gz JZTXINLMFSZYDV-UHFFFAOYSA-N 0 0 224.316 3.539 20 0 BHADRN CC1(C)CC[C@@H](SCCOC(F)F)C1 ZINC000853796152 588763679 /nfs/dbraw/zinc/76/36/79/588763679.db2.gz PBXDCDLBYQNRCW-MRVPVSSYSA-N 0 0 224.316 3.538 20 0 BHADRN CC1(C)CC[C@H](SCCOC(F)F)C1 ZINC000853796154 588763780 /nfs/dbraw/zinc/76/37/80/588763780.db2.gz PBXDCDLBYQNRCW-QMMMGPOBSA-N 0 0 224.316 3.538 20 0 BHADRN Cc1ccc2ccnc(N[C@@H]3C=CCC3)c2c1 ZINC000853798389 588763721 /nfs/dbraw/zinc/76/37/21/588763721.db2.gz NKMBDCGOCSVNOW-CYBMUJFWSA-N 0 0 224.307 3.674 20 0 BHADRN Cc1ccc2ccnc(N[C@H]3C=CCC3)c2c1 ZINC000853798392 588763828 /nfs/dbraw/zinc/76/38/28/588763828.db2.gz NKMBDCGOCSVNOW-ZDUSSCGKSA-N 0 0 224.307 3.674 20 0 BHADRN Cc1cc(C(F)(F)F)cc(N[C@H]2C=CCC2)n1 ZINC000853798567 588763945 /nfs/dbraw/zinc/76/39/45/588763945.db2.gz OWDTUKQVKGWVBS-JTQLQIEISA-N 0 0 242.244 3.539 20 0 BHADRN Cc1cc(C(F)(F)F)cc(N[C@@H]2C=CCC2)n1 ZINC000853798568 588763904 /nfs/dbraw/zinc/76/39/04/588763904.db2.gz OWDTUKQVKGWVBS-SNVBAGLBSA-N 0 0 242.244 3.539 20 0 BHADRN Fc1cccc2nc(N[C@@H]3C=CCC3)sc21 ZINC000853799975 588764042 /nfs/dbraw/zinc/76/40/42/588764042.db2.gz NNJFVEKTYVWUTN-MRVPVSSYSA-N 0 0 234.299 3.566 20 0 BHADRN Fc1cccc2nc(N[C@H]3C=CCC3)sc21 ZINC000853799978 645498185 /nfs/dbraw/zinc/49/81/85/645498185.db2.gz NNJFVEKTYVWUTN-QMMMGPOBSA-N 0 0 234.299 3.566 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)Nc1ccc(C)cc1C ZINC000853813231 588764578 /nfs/dbraw/zinc/76/45/78/588764578.db2.gz UBONNGSHHPCKHM-CYBMUJFWSA-N 0 0 248.370 3.956 20 0 BHADRN CC[C@H](C)N(CC)C(=O)Nc1ccc(C)cc1C ZINC000853813233 588764540 /nfs/dbraw/zinc/76/45/40/588764540.db2.gz UBONNGSHHPCKHM-ZDUSSCGKSA-N 0 0 248.370 3.956 20 0 BHADRN CC(C)c1ccccc1NC(=O)N[C@@H]1C=CCC1 ZINC000853825926 588765040 /nfs/dbraw/zinc/76/50/40/588765040.db2.gz WWKJCSLDNMUQRL-GFCCVEGCSA-N 0 0 244.338 3.650 20 0 BHADRN CC(C)c1ccccc1NC(=O)N[C@H]1C=CCC1 ZINC000853825927 588764994 /nfs/dbraw/zinc/76/49/94/588764994.db2.gz WWKJCSLDNMUQRL-LBPRGKRZSA-N 0 0 244.338 3.650 20 0 BHADRN CC(=O)c1c(F)cccc1NCCC(C)(C)F ZINC000853838912 588765453 /nfs/dbraw/zinc/76/54/53/588765453.db2.gz KFOFRHCQYONWQH-UHFFFAOYSA-N 0 0 241.281 3.578 20 0 BHADRN CC(C)(F)CCNc1nc2c(cccc2F)o1 ZINC000853841230 588765672 /nfs/dbraw/zinc/76/56/72/588765672.db2.gz GQPAORLXEJFUFD-UHFFFAOYSA-N 0 0 240.253 3.517 20 0 BHADRN Cc1ccc(Cl)c(NCCC(C)(C)F)n1 ZINC000853841824 588765766 /nfs/dbraw/zinc/76/57/66/588765766.db2.gz YIXUSIZVRYXBJS-UHFFFAOYSA-N 0 0 230.714 3.594 20 0 BHADRN C[C@]1(CCNc2cccc(Cl)n2)CC1(F)F ZINC000853848444 588765845 /nfs/dbraw/zinc/76/58/45/588765845.db2.gz BQKKYEZQPXOASB-JTQLQIEISA-N 0 0 246.688 3.582 20 0 BHADRN C[C@@]1(CCNc2cccc(Cl)n2)CC1(F)F ZINC000853848445 588765873 /nfs/dbraw/zinc/76/58/73/588765873.db2.gz BQKKYEZQPXOASB-SNVBAGLBSA-N 0 0 246.688 3.582 20 0 BHADRN C[C@]1(CCNc2ccnc(Cl)c2)CC1(F)F ZINC000853849721 588765990 /nfs/dbraw/zinc/76/59/90/588765990.db2.gz XIOBMPJRYDGVJU-JTQLQIEISA-N 0 0 246.688 3.582 20 0 BHADRN C[C@@]1(CCNc2ccnc(Cl)c2)CC1(F)F ZINC000853849723 588765929 /nfs/dbraw/zinc/76/59/29/588765929.db2.gz XIOBMPJRYDGVJU-SNVBAGLBSA-N 0 0 246.688 3.582 20 0 BHADRN Cc1ccc(Cl)c(NC[C@]2(C)CC2(F)F)n1 ZINC000853850937 588765925 /nfs/dbraw/zinc/76/59/25/588765925.db2.gz YDFLKCMAKACQNO-JTQLQIEISA-N 0 0 246.688 3.501 20 0 BHADRN Cc1ccc(Cl)c(NC[C@@]2(C)CC2(F)F)n1 ZINC000853850939 588765922 /nfs/dbraw/zinc/76/59/22/588765922.db2.gz YDFLKCMAKACQNO-SNVBAGLBSA-N 0 0 246.688 3.501 20 0 BHADRN CC[C@H](Nc1nc2c(cccc2F)o1)C1CC1 ZINC000853860557 588766556 /nfs/dbraw/zinc/76/65/56/588766556.db2.gz LBGOTIWLASWBBC-JTQLQIEISA-N 0 0 234.274 3.567 20 0 BHADRN CC[C@@H](Nc1nc2c(cccc2F)o1)C1CC1 ZINC000853860558 588766550 /nfs/dbraw/zinc/76/65/50/588766550.db2.gz LBGOTIWLASWBBC-SNVBAGLBSA-N 0 0 234.274 3.567 20 0 BHADRN CC(C)c1cccc(COC(=O)C(C)(C)F)c1 ZINC000853908352 588768438 /nfs/dbraw/zinc/76/84/38/588768438.db2.gz XXMUDOLLQRLRKO-UHFFFAOYSA-N 0 0 238.302 3.601 20 0 BHADRN C[C@@H](Nc1cccc(F)n1)C1CCC(F)CC1 ZINC000853911454 588768587 /nfs/dbraw/zinc/76/85/87/588768587.db2.gz AOBVFYKHEJISGW-KPPDAEKUSA-N 0 0 240.297 3.549 20 0 BHADRN C[C@H](Nc1cccc(F)n1)C1CCC(F)CC1 ZINC000853911459 588768538 /nfs/dbraw/zinc/76/85/38/588768538.db2.gz AOBVFYKHEJISGW-WHXUTIOJSA-N 0 0 240.297 3.549 20 0 BHADRN CC(=O)c1c(F)cccc1NCC1=CCCC1 ZINC000853917764 588768864 /nfs/dbraw/zinc/76/88/64/588768864.db2.gz DBGDUBXAKAQDPW-UHFFFAOYSA-N 0 0 233.286 3.551 20 0 BHADRN CC(C)c1cccc(COC(=O)CCCF)c1 ZINC000853925328 588769413 /nfs/dbraw/zinc/76/94/13/588769413.db2.gz HFTPUVXAYUCHAR-UHFFFAOYSA-N 0 0 238.302 3.603 20 0 BHADRN O=C(O[C@@H]1C=CCCC1)c1ccsc1Cl ZINC000853934683 588769712 /nfs/dbraw/zinc/76/97/12/588769712.db2.gz XJKGSHXJLRXVHJ-MRVPVSSYSA-N 0 0 242.727 3.667 20 0 BHADRN O=C(O[C@H]1C=CCCC1)c1ccsc1Cl ZINC000853934684 588769690 /nfs/dbraw/zinc/76/96/90/588769690.db2.gz XJKGSHXJLRXVHJ-QMMMGPOBSA-N 0 0 242.727 3.667 20 0 BHADRN CCC[C@@H](C(=O)Nc1ccc(N)c(C)c1)C(C)C ZINC000854008396 588771470 /nfs/dbraw/zinc/77/14/70/588771470.db2.gz HBKMCGFAOMISPL-CYBMUJFWSA-N 0 0 248.370 3.588 20 0 BHADRN CCC[C@H](C(=O)Nc1ccc(N)c(C)c1)C(C)C ZINC000854008397 588771419 /nfs/dbraw/zinc/77/14/19/588771419.db2.gz HBKMCGFAOMISPL-ZDUSSCGKSA-N 0 0 248.370 3.588 20 0 BHADRN CCC(CC)[C@@H](C)C(=O)Nc1ccc(N)c(C)c1 ZINC000854008562 588771413 /nfs/dbraw/zinc/77/14/13/588771413.db2.gz KTGGLXZEBAPPNB-LLVKDONJSA-N 0 0 248.370 3.588 20 0 BHADRN CCC(CC)[C@H](C)C(=O)Nc1ccc(N)c(C)c1 ZINC000854008563 588771351 /nfs/dbraw/zinc/77/13/51/588771351.db2.gz KTGGLXZEBAPPNB-NSHDSACASA-N 0 0 248.370 3.588 20 0 BHADRN Cc1cc(NC(=O)C(C)(C)CC(C)C)ccc1N ZINC000854010715 588771585 /nfs/dbraw/zinc/77/15/85/588771585.db2.gz SOTUCBDMXVKYAN-UHFFFAOYSA-N 0 0 248.370 3.588 20 0 BHADRN CC[C@H](CC(=O)Nc1ccc(N)c(C)c1)C(C)C ZINC000854011667 588771598 /nfs/dbraw/zinc/77/15/98/588771598.db2.gz AINVSCGHTSUNBO-GFCCVEGCSA-N 0 0 248.370 3.588 20 0 BHADRN CC[C@@H](CC(=O)Nc1ccc(N)c(C)c1)C(C)C ZINC000854011668 588771547 /nfs/dbraw/zinc/77/15/47/588771547.db2.gz AINVSCGHTSUNBO-LBPRGKRZSA-N 0 0 248.370 3.588 20 0 BHADRN Cc1cc(NC(=O)CCCC(C)(C)C)ccc1N ZINC000854011680 588771689 /nfs/dbraw/zinc/77/16/89/588771689.db2.gz AOBMJUKZLVPVOK-UHFFFAOYSA-N 0 0 248.370 3.732 20 0 BHADRN C/C(=C/C(=O)Nc1ccc(N)c(C)c1)C(C)(C)C ZINC000854011768 588771516 /nfs/dbraw/zinc/77/15/16/588771516.db2.gz BZCXXSLGRICNOU-LUAWRHEFSA-N 0 0 246.354 3.508 20 0 BHADRN C/C(=C\C(=O)Nc1ccc(N)c(C)c1)C(C)(C)C ZINC000854011770 588771566 /nfs/dbraw/zinc/77/15/66/588771566.db2.gz BZCXXSLGRICNOU-PKNBQFBNSA-N 0 0 246.354 3.508 20 0 BHADRN CCC(CC)(CC)C(=O)Nc1ccc(N)c(C)c1 ZINC000854011888 588771616 /nfs/dbraw/zinc/77/16/16/588771616.db2.gz DCMBJYZVQQUPCP-UHFFFAOYSA-N 0 0 248.370 3.732 20 0 BHADRN Cc1cc(NC(=O)C[C@H](C)CC(C)C)ccc1N ZINC000854012095 588771644 /nfs/dbraw/zinc/77/16/44/588771644.db2.gz GVKFRDQWCPCPQD-LLVKDONJSA-N 0 0 248.370 3.588 20 0 BHADRN Cc1cc(NC(=O)C[C@@H](C)CC(C)C)ccc1N ZINC000854012096 588771649 /nfs/dbraw/zinc/77/16/49/588771649.db2.gz GVKFRDQWCPCPQD-NSHDSACASA-N 0 0 248.370 3.588 20 0 BHADRN CCC[C@@H](C)c1noc([C@H](C)Cc2ccco2)n1 ZINC000854026580 712614033 /nfs/dbraw/zinc/61/40/33/712614033.db2.gz HIRARKMOMAWJTO-GHMZBOCLSA-N 0 0 248.326 3.912 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H](C)Cc2ccco2)n1 ZINC000854026581 712614002 /nfs/dbraw/zinc/61/40/02/712614002.db2.gz HIRARKMOMAWJTO-MNOVXSKESA-N 0 0 248.326 3.912 20 0 BHADRN CCC[C@H](C)c1noc([C@@H](C)Cc2ccco2)n1 ZINC000854026582 712613992 /nfs/dbraw/zinc/61/39/92/712613992.db2.gz HIRARKMOMAWJTO-QWRGUYRKSA-N 0 0 248.326 3.912 20 0 BHADRN CCC[C@H](C)c1noc([C@H](C)Cc2ccco2)n1 ZINC000854026583 712614003 /nfs/dbraw/zinc/61/40/03/712614003.db2.gz HIRARKMOMAWJTO-WDEREUQCSA-N 0 0 248.326 3.912 20 0 BHADRN CCC[C@@H](C)c1noc(C2CC3(CC3)C2)n1 ZINC000854026824 712613993 /nfs/dbraw/zinc/61/39/93/712613993.db2.gz NHRJMNSMSVCCEA-SECBINFHSA-N 0 0 220.316 3.631 20 0 BHADRN CCC[C@H](C)c1noc(C2CC3(CC3)C2)n1 ZINC000854026825 712614047 /nfs/dbraw/zinc/61/40/47/712614047.db2.gz NHRJMNSMSVCCEA-VIFPVBQESA-N 0 0 220.316 3.631 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000854027459 712614026 /nfs/dbraw/zinc/61/40/26/712614026.db2.gz WZIFKYROKOFKEE-NNYUYHANSA-N 0 0 234.343 3.877 20 0 BHADRN FCCCc1nc(C2CCCCCCC2)no1 ZINC000854037236 588772436 /nfs/dbraw/zinc/77/24/36/588772436.db2.gz LJKXRMCLGIXNKT-UHFFFAOYSA-N 0 0 240.322 3.800 20 0 BHADRN C[C@@H](c1noc(-c2ccc(CF)cc2)n1)C1CC1 ZINC000854037292 588772407 /nfs/dbraw/zinc/77/24/07/588772407.db2.gz MXTFPPRPVMHLRV-SECBINFHSA-N 0 0 246.285 3.720 20 0 BHADRN C[C@H](c1noc(-c2ccc(CF)cc2)n1)C1CC1 ZINC000854037293 588772496 /nfs/dbraw/zinc/77/24/96/588772496.db2.gz MXTFPPRPVMHLRV-VIFPVBQESA-N 0 0 246.285 3.720 20 0 BHADRN CC(C)c1ccccc1C(=O)N1CCCCCC1 ZINC000854117780 588775235 /nfs/dbraw/zinc/77/52/35/588775235.db2.gz CCEPIOXMSHWCNW-UHFFFAOYSA-N 0 0 245.366 3.826 20 0 BHADRN CCCCCNC(=O)c1ccccc1C(C)C ZINC000854120481 588775498 /nfs/dbraw/zinc/77/54/98/588775498.db2.gz LEZBETTWJJQPOM-UHFFFAOYSA-N 0 0 233.355 3.730 20 0 BHADRN CC[C@H]1CCCCN1C(=O)c1ccc(CF)cc1 ZINC000854121825 588775324 /nfs/dbraw/zinc/77/53/24/588775324.db2.gz PLNHIDNWYYQTCP-AWEZNQCLSA-N 0 0 249.329 3.561 20 0 BHADRN CC[C@@H]1CCCCN1C(=O)c1ccc(CF)cc1 ZINC000854121826 588775463 /nfs/dbraw/zinc/77/54/63/588775463.db2.gz PLNHIDNWYYQTCP-CQSZACIVSA-N 0 0 249.329 3.561 20 0 BHADRN CCCC[C@@](C)(F)C(=O)Nc1ccccc1 ZINC000854123723 588775274 /nfs/dbraw/zinc/77/52/74/588775274.db2.gz UZGILFYOMFELEE-CYBMUJFWSA-N 0 0 223.291 3.544 20 0 BHADRN CCCC[C@](C)(F)C(=O)Nc1ccccc1 ZINC000854123724 588775379 /nfs/dbraw/zinc/77/53/79/588775379.db2.gz UZGILFYOMFELEE-ZDUSSCGKSA-N 0 0 223.291 3.544 20 0 BHADRN CCCC[C@](C)(F)C(=O)N(C)c1ccccc1 ZINC000854123937 588775568 /nfs/dbraw/zinc/77/55/68/588775568.db2.gz YVXKEBHFSDKYCX-AWEZNQCLSA-N 0 0 237.318 3.568 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N(C)c1ccccc1 ZINC000854123938 588775692 /nfs/dbraw/zinc/77/56/92/588775692.db2.gz YVXKEBHFSDKYCX-CQSZACIVSA-N 0 0 237.318 3.568 20 0 BHADRN CCCC[C@](C)(F)C(=O)Nc1ccccc1C ZINC000854124766 588775587 /nfs/dbraw/zinc/77/55/87/588775587.db2.gz NKWQPFDOWGWAJD-AWEZNQCLSA-N 0 0 237.318 3.852 20 0 BHADRN CCCC[C@@](C)(F)C(=O)Nc1ccccc1C ZINC000854124767 588775654 /nfs/dbraw/zinc/77/56/54/588775654.db2.gz NKWQPFDOWGWAJD-CQSZACIVSA-N 0 0 237.318 3.852 20 0 BHADRN CC(C)c1ccccc1C(=O)N1CCC[C@@H](C)C1 ZINC000854129858 588775677 /nfs/dbraw/zinc/77/56/77/588775677.db2.gz SNVRTDZTLYPNKG-CYBMUJFWSA-N 0 0 245.366 3.682 20 0 BHADRN CC(C)c1ccccc1C(=O)N1CCC[C@H](C)C1 ZINC000854129859 588775533 /nfs/dbraw/zinc/77/55/33/588775533.db2.gz SNVRTDZTLYPNKG-ZDUSSCGKSA-N 0 0 245.366 3.682 20 0 BHADRN CCCC[C@@](C)(F)C(=O)Nc1ccccc1F ZINC000854132506 588776056 /nfs/dbraw/zinc/77/60/56/588776056.db2.gz AYLRKUALMJIPPT-CYBMUJFWSA-N 0 0 241.281 3.683 20 0 BHADRN CCCC[C@](C)(F)C(=O)Nc1ccccc1F ZINC000854132507 588776152 /nfs/dbraw/zinc/77/61/52/588776152.db2.gz AYLRKUALMJIPPT-ZDUSSCGKSA-N 0 0 241.281 3.683 20 0 BHADRN CCC(F)(F)C(=O)Nc1cccc(Cl)c1C ZINC000854132919 588776125 /nfs/dbraw/zinc/77/61/25/588776125.db2.gz NADRKTHXESNACH-UHFFFAOYSA-N 0 0 247.672 3.632 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N(CCC)CCC ZINC000854135513 588776421 /nfs/dbraw/zinc/77/64/21/588776421.db2.gz IDNLWGVEGNYEBB-CYBMUJFWSA-N 0 0 231.355 3.553 20 0 BHADRN CCCC[C@](C)(F)C(=O)N(CCC)CCC ZINC000854135514 588776444 /nfs/dbraw/zinc/77/64/44/588776444.db2.gz IDNLWGVEGNYEBB-ZDUSSCGKSA-N 0 0 231.355 3.553 20 0 BHADRN CC(C)CCNC(=O)c1ccccc1C(C)C ZINC000854142480 588776951 /nfs/dbraw/zinc/77/69/51/588776951.db2.gz OKVFLCBINLIJJS-UHFFFAOYSA-N 0 0 233.355 3.586 20 0 BHADRN CCC(F)(F)C(=O)Nc1ccc(C)cc1Cl ZINC000854143555 588776711 /nfs/dbraw/zinc/77/67/11/588776711.db2.gz WNBLIQONSDIRGL-UHFFFAOYSA-N 0 0 247.672 3.632 20 0 BHADRN COc1ccccc1-c1cc(N(C)C)ccc1C ZINC000854164368 588777431 /nfs/dbraw/zinc/77/74/31/588777431.db2.gz CVDXSCBAOWGPMR-UHFFFAOYSA-N 0 0 241.334 3.737 20 0 BHADRN CCC(CC)NC(=O)c1ccccc1C(C)C ZINC000854168424 588777520 /nfs/dbraw/zinc/77/75/20/588777520.db2.gz CZWARIHXCKELDP-UHFFFAOYSA-N 0 0 233.355 3.728 20 0 BHADRN O=C(NC1CCCCCCC1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000854168627 588777557 /nfs/dbraw/zinc/77/75/57/588777557.db2.gz FGXKRMXYWSCSHK-NWANDNLSSA-N 0 0 249.398 3.652 20 0 BHADRN O=C(NC1CCCCCCC1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000854168628 588777645 /nfs/dbraw/zinc/77/76/45/588777645.db2.gz FGXKRMXYWSCSHK-YUELXQCFSA-N 0 0 249.398 3.652 20 0 BHADRN Cc1cc(C)c(N)c(-c2ccccc2N(C)C)c1 ZINC000854170139 588777570 /nfs/dbraw/zinc/77/75/70/588777570.db2.gz XWWHXIYMPVJLJB-UHFFFAOYSA-N 0 0 240.350 3.619 20 0 BHADRN O=C(NC1CCCCCC1)c1ccc(CF)cc1 ZINC000854171196 588777855 /nfs/dbraw/zinc/77/78/55/588777855.db2.gz ILJOQZIWXVOLJC-UHFFFAOYSA-N 0 0 249.329 3.609 20 0 BHADRN C/C(=C/C(=O)NC1CCCCCC1)c1ccco1 ZINC000854171807 588777742 /nfs/dbraw/zinc/77/77/42/588777742.db2.gz ZVOXGTZSUKKHFW-QXMHVHEDSA-N 0 0 247.338 3.522 20 0 BHADRN C/C(=C\C(=O)NC1CCCCCC1)c1ccco1 ZINC000854171809 588777776 /nfs/dbraw/zinc/77/77/76/588777776.db2.gz ZVOXGTZSUKKHFW-VAWYXSNFSA-N 0 0 247.338 3.522 20 0 BHADRN CC(C)c1nn(C)cc1-c1ccc2c(c1)C=CC2 ZINC000854173663 588778029 /nfs/dbraw/zinc/77/80/29/588778029.db2.gz ROTTTWYEJQGPOL-UHFFFAOYSA-N 0 0 238.334 3.780 20 0 BHADRN CC(C)c1ccccc1C(=O)N1CCC(C)CC1 ZINC000854173766 588777918 /nfs/dbraw/zinc/77/79/18/588777918.db2.gz QETITXVJTXCPTD-UHFFFAOYSA-N 0 0 245.366 3.682 20 0 BHADRN CC(C)c1ccc(NC(=O)N[C@@H]2C=CCC2)cc1 ZINC000854173942 588777913 /nfs/dbraw/zinc/77/79/13/588777913.db2.gz VKVRYRLCJVIBGA-CYBMUJFWSA-N 0 0 244.338 3.650 20 0 BHADRN CC(C)c1ccc(NC(=O)N[C@H]2C=CCC2)cc1 ZINC000854173944 588778060 /nfs/dbraw/zinc/77/80/60/588778060.db2.gz VKVRYRLCJVIBGA-ZDUSSCGKSA-N 0 0 244.338 3.650 20 0 BHADRN CC(C)(C)c1cc(-c2ccccn2)ccc1O ZINC000854176567 588778019 /nfs/dbraw/zinc/77/80/19/588778019.db2.gz JGXGPCRORVAYBI-UHFFFAOYSA-N 0 0 227.307 3.752 20 0 BHADRN Cc1ccc(NC(C)C)cc1-c1ccccn1 ZINC000854176596 588778129 /nfs/dbraw/zinc/77/81/29/588778129.db2.gz KCUYUNJDFQAUMA-UHFFFAOYSA-N 0 0 226.323 3.877 20 0 BHADRN Cc1cc(-c2ccc(N)c(C(C)C)c2)ccn1 ZINC000854176661 588778081 /nfs/dbraw/zinc/77/80/81/588778081.db2.gz SSTQHOKIADBFGD-UHFFFAOYSA-N 0 0 226.323 3.763 20 0 BHADRN Cc1cc(-c2ccccc2OC(C)C)ccn1 ZINC000854176844 588778306 /nfs/dbraw/zinc/77/83/06/588778306.db2.gz WRGIEJRSBXITNA-UHFFFAOYSA-N 0 0 227.307 3.844 20 0 BHADRN CCCOc1ccc(-c2ccccn2)c(OC)c1 ZINC000854177537 588778292 /nfs/dbraw/zinc/77/82/92/588778292.db2.gz ZCSOUSUHKCKJMV-UHFFFAOYSA-N 0 0 243.306 3.546 20 0 BHADRN Cc1ccc(-c2ccc(N)c(C(C)C)c2)cn1 ZINC000854180412 588778195 /nfs/dbraw/zinc/77/81/95/588778195.db2.gz MPKKJLUDJMONJX-UHFFFAOYSA-N 0 0 226.323 3.763 20 0 BHADRN Cc1ccc(-c2ccccc2OC(C)C)cn1 ZINC000854180973 588778289 /nfs/dbraw/zinc/77/82/89/588778289.db2.gz RINMKHQDDLPVRC-UHFFFAOYSA-N 0 0 227.307 3.844 20 0 BHADRN CCC(F)(F)C(=O)Nc1cc(Cl)ccc1C ZINC000854182109 588777077 /nfs/dbraw/zinc/77/70/77/588777077.db2.gz HUULAOAOGKAAID-UHFFFAOYSA-N 0 0 247.672 3.632 20 0 BHADRN CCCCN(CC)C(=O)[C@](C)(F)CCCC ZINC000854183135 588778577 /nfs/dbraw/zinc/77/85/77/588778577.db2.gz UZKYQSPJGBAOHZ-CYBMUJFWSA-N 0 0 231.355 3.553 20 0 BHADRN CCCCN(CC)C(=O)[C@@](C)(F)CCCC ZINC000854183136 588778490 /nfs/dbraw/zinc/77/84/90/588778490.db2.gz UZKYQSPJGBAOHZ-ZDUSSCGKSA-N 0 0 231.355 3.553 20 0 BHADRN CC(C)c1ccccc1C(=O)N1CCCC[C@H]1C ZINC000854183297 588778409 /nfs/dbraw/zinc/77/84/09/588778409.db2.gz ZDOGJFQVQZNGGK-CYBMUJFWSA-N 0 0 245.366 3.825 20 0 BHADRN CC(C)c1ccccc1C(=O)N1CCCC[C@@H]1C ZINC000854183298 588778571 /nfs/dbraw/zinc/77/85/71/588778571.db2.gz ZDOGJFQVQZNGGK-ZDUSSCGKSA-N 0 0 245.366 3.825 20 0 BHADRN Cc1ncc(-c2cc(NC(C)C)ccc2C)o1 ZINC000854185619 588778404 /nfs/dbraw/zinc/77/84/04/588778404.db2.gz DROZNUHSCWMJEB-UHFFFAOYSA-N 0 0 230.311 3.779 20 0 BHADRN Cc1ncc(-c2cccc(C(C)C)c2)o1 ZINC000854185638 588778505 /nfs/dbraw/zinc/77/85/05/588778505.db2.gz FHCWQRVCHHXLMR-UHFFFAOYSA-N 0 0 201.269 3.773 20 0 BHADRN CCOc1cccc(-c2ncc(C)cc2C)c1 ZINC000854187292 588778390 /nfs/dbraw/zinc/77/83/90/588778390.db2.gz CZMBNELASUGVIO-UHFFFAOYSA-N 0 0 227.307 3.764 20 0 BHADRN CCOc1cccc(-c2ccc(CO)c(C)c2)c1 ZINC000854187320 588778503 /nfs/dbraw/zinc/77/85/03/588778503.db2.gz DZERDDMHNXBZST-UHFFFAOYSA-N 0 0 242.318 3.553 20 0 BHADRN CCOc1cccc(-c2ccccc2COC)c1 ZINC000854187549 588778551 /nfs/dbraw/zinc/77/85/51/588778551.db2.gz IQSAQIYNYBYFOS-UHFFFAOYSA-N 0 0 242.318 3.899 20 0 BHADRN CCOc1cccc(-c2ccc(CO)cc2C)c1 ZINC000854187771 588778477 /nfs/dbraw/zinc/77/84/77/588778477.db2.gz KYYAFPQTKJISBG-UHFFFAOYSA-N 0 0 242.318 3.553 20 0 BHADRN CCOc1cccc(-c2ccc(C)c(CO)c2)c1 ZINC000854187912 588778545 /nfs/dbraw/zinc/77/85/45/588778545.db2.gz NNRPPGLNEBJTCH-UHFFFAOYSA-N 0 0 242.318 3.553 20 0 BHADRN CCOc1cccc(-c2ccc3c(c2)COC3)c1 ZINC000854187929 588778532 /nfs/dbraw/zinc/77/85/32/588778532.db2.gz NXNICKOYWZPVEQ-UHFFFAOYSA-N 0 0 240.302 3.783 20 0 BHADRN CCOc1cccc(-c2cccc(CO)c2C)c1 ZINC000854188170 588778657 /nfs/dbraw/zinc/77/86/57/588778657.db2.gz RSVKQKOMEPHQBM-UHFFFAOYSA-N 0 0 242.318 3.553 20 0 BHADRN CCOc1cccc(-c2cc(C)ns2)c1 ZINC000854188350 588778642 /nfs/dbraw/zinc/77/86/42/588778642.db2.gz WPHMCQPSMFYHDB-UHFFFAOYSA-N 0 0 219.309 3.517 20 0 BHADRN COc1ccc(-c2cc(C)cc(C)c2N)c(C)c1 ZINC000854188380 588778647 /nfs/dbraw/zinc/77/86/47/588778647.db2.gz XQKGUWRMQWEFHJ-UHFFFAOYSA-N 0 0 241.334 3.870 20 0 BHADRN Cc1ccc(N(C)C)cc1-c1cc(F)ncc1C ZINC000854188495 588778779 /nfs/dbraw/zinc/77/87/79/588778779.db2.gz CACKCNCDYSGSBQ-UHFFFAOYSA-N 0 0 244.313 3.571 20 0 BHADRN Cc1cnc(F)cc1-c1ccccc1OC(C)C ZINC000854188705 588778539 /nfs/dbraw/zinc/77/85/39/588778539.db2.gz JBXGDTCWTPABML-UHFFFAOYSA-N 0 0 245.297 3.983 20 0 BHADRN Cc1cc(-c2cc(F)ncc2C)c(C)s1 ZINC000854188838 588778752 /nfs/dbraw/zinc/77/87/52/588778752.db2.gz DHJZFPHPQKEION-UHFFFAOYSA-N 0 0 221.300 3.874 20 0 BHADRN Cc1cnc(F)cc1-c1ccc(OC(C)C)cc1 ZINC000854188949 588778725 /nfs/dbraw/zinc/77/87/25/588778725.db2.gz DTBBPPZLMVPUIK-UHFFFAOYSA-N 0 0 245.297 3.983 20 0 BHADRN COc1c(C)cc(-c2cc(F)ncc2C)cc1C ZINC000854189006 588778781 /nfs/dbraw/zinc/77/87/81/588778781.db2.gz GRJWXJBKWRJNPG-UHFFFAOYSA-N 0 0 245.297 3.822 20 0 BHADRN Cc1cnc(F)cc1-c1ccc(N)c(C(C)C)c1 ZINC000854189438 588778707 /nfs/dbraw/zinc/77/87/07/588778707.db2.gz ULHYTNIGOHZOHV-UHFFFAOYSA-N 0 0 244.313 3.902 20 0 BHADRN Cc1cnc(F)cc1-c1ccc2c(c1)C[C@H](C)O2 ZINC000854189559 588778737 /nfs/dbraw/zinc/77/87/37/588778737.db2.gz MMKQGIHUTVEXJU-JTQLQIEISA-N 0 0 243.281 3.520 20 0 BHADRN Cc1cnc(F)cc1-c1ccc2c(c1)C[C@@H](C)O2 ZINC000854189560 588778631 /nfs/dbraw/zinc/77/86/31/588778631.db2.gz MMKQGIHUTVEXJU-SNVBAGLBSA-N 0 0 243.281 3.520 20 0 BHADRN CC[C@H](O)c1cccc(-c2cc(F)ncc2C)c1 ZINC000854189572 588778770 /nfs/dbraw/zinc/77/87/70/588778770.db2.gz MVRSUEHRWUCFAK-AWEZNQCLSA-N 0 0 245.297 3.640 20 0 BHADRN CC[C@@H](O)c1cccc(-c2cc(F)ncc2C)c1 ZINC000854189573 588778595 /nfs/dbraw/zinc/77/85/95/588778595.db2.gz MVRSUEHRWUCFAK-CQSZACIVSA-N 0 0 245.297 3.640 20 0 BHADRN CCOCc1ccc(-c2cc(F)ncc2C)cc1 ZINC000854189608 588778601 /nfs/dbraw/zinc/77/86/01/588778601.db2.gz NZBKAWGIRJXMAR-UHFFFAOYSA-N 0 0 245.297 3.733 20 0 BHADRN Cc1cnc(F)cc1-c1ccc2c(c1)CCC2 ZINC000854189618 588778754 /nfs/dbraw/zinc/77/87/54/588778754.db2.gz OJFLROHRMQFFED-UHFFFAOYSA-N 0 0 227.282 3.685 20 0 BHADRN Cc1cnc(F)cc1-c1cccc2c1OCCC2 ZINC000854189715 588778626 /nfs/dbraw/zinc/77/86/26/588778626.db2.gz XNQBWRQWBXDWIR-UHFFFAOYSA-N 0 0 243.281 3.521 20 0 BHADRN CCCOc1ccccc1-c1cc(F)ncc1C ZINC000854189885 588778790 /nfs/dbraw/zinc/77/87/90/588778790.db2.gz YSSLRFDOLAINJL-UHFFFAOYSA-N 0 0 245.297 3.985 20 0 BHADRN Cc1cnc(F)cc1-c1ccc(OC2CC2)cc1 ZINC000854189900 588778612 /nfs/dbraw/zinc/77/86/12/588778612.db2.gz YVHJVNLIGZVAKK-UHFFFAOYSA-N 0 0 243.281 3.737 20 0 BHADRN COc1cc(C)c(-c2cc(F)ncc2C)cc1C ZINC000854189955 588778634 /nfs/dbraw/zinc/77/86/34/588778634.db2.gz RXWZCBMRDNOSRQ-UHFFFAOYSA-N 0 0 245.297 3.822 20 0 BHADRN CCCC[C@](C)(F)C(=O)N(CCC)CC1CC1 ZINC000854190112 588778666 /nfs/dbraw/zinc/77/86/66/588778666.db2.gz MCAAJLKWOPUUBH-AWEZNQCLSA-N 0 0 243.366 3.553 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N(CCC)CC1CC1 ZINC000854190113 588778676 /nfs/dbraw/zinc/77/86/76/588778676.db2.gz MCAAJLKWOPUUBH-CQSZACIVSA-N 0 0 243.366 3.553 20 0 BHADRN Fc1ccc(-c2cccnc2OCC2CC2)s1 ZINC000854193644 588778602 /nfs/dbraw/zinc/77/86/02/588778602.db2.gz DRBSUDRMLWXTFP-UHFFFAOYSA-N 0 0 249.310 3.738 20 0 BHADRN O[C@@H](c1ccc(-c2ccc(F)s2)cc1)C1CC1 ZINC000854193647 588778609 /nfs/dbraw/zinc/77/86/09/588778609.db2.gz DTJKSXQNUVDKDM-AWEZNQCLSA-N 0 0 248.322 3.998 20 0 BHADRN O[C@H](c1ccc(-c2ccc(F)s2)cc1)C1CC1 ZINC000854193648 588778652 /nfs/dbraw/zinc/77/86/52/588778652.db2.gz DTJKSXQNUVDKDM-CQSZACIVSA-N 0 0 248.322 3.998 20 0 BHADRN CC(C)Oc1cncc(-c2ccc(F)s2)c1 ZINC000854194171 588778689 /nfs/dbraw/zinc/77/86/89/588778689.db2.gz UONZBAUTCJNLIY-UHFFFAOYSA-N 0 0 237.299 3.736 20 0 BHADRN CC[C@@H](O)c1cccc(-c2cc(C)co2)c1 ZINC000854194436 588778773 /nfs/dbraw/zinc/77/87/73/588778773.db2.gz BWEVYQDAFJMTGX-CYBMUJFWSA-N 0 0 216.280 3.698 20 0 BHADRN CC[C@H](O)c1cccc(-c2cc(C)co2)c1 ZINC000854194437 588778644 /nfs/dbraw/zinc/77/86/44/588778644.db2.gz BWEVYQDAFJMTGX-ZDUSSCGKSA-N 0 0 216.280 3.698 20 0 BHADRN Cc1cncc(-c2ccc([C@H](O)C3CC3)cc2)c1 ZINC000854194443 588778617 /nfs/dbraw/zinc/77/86/17/588778617.db2.gz CKMWMSWPMHQBRG-INIZCTEOSA-N 0 0 239.318 3.500 20 0 BHADRN Cc1cncc(-c2ccc([C@@H](O)C3CC3)cc2)c1 ZINC000854194444 588778624 /nfs/dbraw/zinc/77/86/24/588778624.db2.gz CKMWMSWPMHQBRG-MRXNPFEDSA-N 0 0 239.318 3.500 20 0 BHADRN CC[C@H](O)c1cccc(-c2cncc(C)c2)c1 ZINC000854194624 588778734 /nfs/dbraw/zinc/77/87/34/588778734.db2.gz JFEXQJLYRCXQKI-HNNXBMFYSA-N 0 0 227.307 3.500 20 0 BHADRN CC[C@@H](O)c1cccc(-c2cncc(C)c2)c1 ZINC000854194625 588778696 /nfs/dbraw/zinc/77/86/96/588778696.db2.gz JFEXQJLYRCXQKI-OAHLLOKOSA-N 0 0 227.307 3.500 20 0 BHADRN Cc1coc(-c2ccc([C@H](O)C3CC3)cc2)c1 ZINC000854195033 588778702 /nfs/dbraw/zinc/77/87/02/588778702.db2.gz XSLUNALADTWTJD-HNNXBMFYSA-N 0 0 228.291 3.698 20 0 BHADRN Cc1coc(-c2ccc([C@@H](O)C3CC3)cc2)c1 ZINC000854195034 588778591 /nfs/dbraw/zinc/77/85/91/588778591.db2.gz XSLUNALADTWTJD-OAHLLOKOSA-N 0 0 228.291 3.698 20 0 BHADRN CNc1cccc(-c2cc(N(C)C)ccc2C)c1 ZINC000854195308 588778778 /nfs/dbraw/zinc/77/87/78/588778778.db2.gz FDZSWZBOZDTIQW-UHFFFAOYSA-N 0 0 240.350 3.770 20 0 BHADRN CNc1cccc(-c2ccc(C(C)(C)O)cc2)c1 ZINC000854195800 588778633 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HZZVUDWGHOOZCH-UHFFFAOYSA-N 0 0 241.290 3.530 20 0 BHADRN Cc1cc(-c2ccccc2C[C@H](O)C(C)C)co1 ZINC000854200266 588778991 /nfs/dbraw/zinc/77/89/91/588778991.db2.gz NHDWHAKKSKLDCD-INIZCTEOSA-N 0 0 244.334 3.814 20 0 BHADRN Cc1cc(-c2ccccc2C[C@@H](O)C(C)C)co1 ZINC000854200267 588778861 /nfs/dbraw/zinc/77/88/61/588778861.db2.gz NHDWHAKKSKLDCD-MRXNPFEDSA-N 0 0 244.334 3.814 20 0 BHADRN CCSc1ccc(-c2coc(C)c2)cn1 ZINC000854200285 588778809 /nfs/dbraw/zinc/77/88/09/588778809.db2.gz NXUPGRYPPVJSEZ-UHFFFAOYSA-N 0 0 219.309 3.762 20 0 BHADRN Cc1cc(-c2ccc(CC(C)(C)O)cc2)co1 ZINC000854200444 588778874 /nfs/dbraw/zinc/77/88/74/588778874.db2.gz PDPOWUYNLGLPRW-UHFFFAOYSA-N 0 0 230.307 3.568 20 0 BHADRN Cc1cc(-c2ccc([C@H](O)C3CC3)cc2)co1 ZINC000854200486 588778937 /nfs/dbraw/zinc/77/89/37/588778937.db2.gz QBVSPGYQSBWDRO-HNNXBMFYSA-N 0 0 228.291 3.698 20 0 BHADRN Cc1cc(-c2ccc([C@@H](O)C3CC3)cc2)co1 ZINC000854200488 588778797 /nfs/dbraw/zinc/77/87/97/588778797.db2.gz QBVSPGYQSBWDRO-OAHLLOKOSA-N 0 0 228.291 3.698 20 0 BHADRN CCOCc1ccc(-c2coc(C)c2)cc1 ZINC000854200538 588778829 /nfs/dbraw/zinc/77/88/29/588778829.db2.gz RAWBSSIGRPDBIN-UHFFFAOYSA-N 0 0 216.280 3.792 20 0 BHADRN Cc1cc(-c2ccc(C[C@H](O)C3CC3)cc2)co1 ZINC000854200587 588778902 /nfs/dbraw/zinc/77/89/02/588778902.db2.gz SBBOAQDDKIZLCJ-INIZCTEOSA-N 0 0 242.318 3.568 20 0 BHADRN Cc1cc(-c2ccc(C[C@@H](O)C3CC3)cc2)co1 ZINC000854200588 588778976 /nfs/dbraw/zinc/77/89/76/588778976.db2.gz SBBOAQDDKIZLCJ-MRXNPFEDSA-N 0 0 242.318 3.568 20 0 BHADRN Cc1cc(-c2ccc3c(c2)ncn3C2CC2)co1 ZINC000854200632 588778880 /nfs/dbraw/zinc/77/88/80/588778880.db2.gz SLDJLAQWRWXMGV-UHFFFAOYSA-N 0 0 238.290 3.940 20 0 BHADRN Cc1cc(-c2cnc(C(F)(F)F)cc2C)co1 ZINC000854200877 588778827 /nfs/dbraw/zinc/77/88/27/588778827.db2.gz ZRGMYJQDFWFFMN-UHFFFAOYSA-N 0 0 241.212 3.977 20 0 BHADRN Cc1cc(-c2cccc(N3CCCC3)c2)co1 ZINC000854200885 588778972 /nfs/dbraw/zinc/77/89/72/588778972.db2.gz ZTEUYZZAJHBHTM-UHFFFAOYSA-N 0 0 227.307 3.855 20 0 BHADRN CCOc1ccc(-c2csc(C)c2)nc1 ZINC000854201380 588778806 /nfs/dbraw/zinc/77/88/06/588778806.db2.gz IQAJIRKTKVAOPS-UHFFFAOYSA-N 0 0 219.309 3.517 20 0 BHADRN Cc1ccc(F)cc1-c1ccc([C@H](C)CO)cc1 ZINC000854202376 588779005 /nfs/dbraw/zinc/77/90/05/588779005.db2.gz FHAJTOGKWMPFLR-GFCCVEGCSA-N 0 0 244.309 3.897 20 0 BHADRN Cc1ccc(F)cc1-c1ccc([C@@H](C)CO)cc1 ZINC000854202380 588779049 /nfs/dbraw/zinc/77/90/49/588779049.db2.gz FHAJTOGKWMPFLR-LBPRGKRZSA-N 0 0 244.309 3.897 20 0 BHADRN CCOc1ccc(-c2sccc2C)nc1 ZINC000854202874 588779169 /nfs/dbraw/zinc/77/91/69/588779169.db2.gz LEAUFBHTCJKNOK-UHFFFAOYSA-N 0 0 219.309 3.517 20 0 BHADRN CCOc1ccc(-c2ccc(C)cc2CO)cc1 ZINC000854203894 588779012 /nfs/dbraw/zinc/77/90/12/588779012.db2.gz UJWVYAXGFQOYBN-UHFFFAOYSA-N 0 0 242.318 3.553 20 0 BHADRN Cc1ccc(F)cc1-c1cccc2c1COCC2 ZINC000854204546 588779257 /nfs/dbraw/zinc/77/92/57/588779257.db2.gz HELOKYTVUWRTOC-UHFFFAOYSA-N 0 0 242.293 3.874 20 0 BHADRN Cc1ccc(F)cc1-c1ccc2c(c1)CCOC2 ZINC000854205067 588779228 /nfs/dbraw/zinc/77/92/28/588779228.db2.gz OIGAWKAIMHRCRI-UHFFFAOYSA-N 0 0 242.293 3.874 20 0 BHADRN Cc1ccsc1-c1scc2c1OCCO2 ZINC000854206203 588779239 /nfs/dbraw/zinc/77/92/39/588779239.db2.gz JQDWCNNSGAAHMZ-UHFFFAOYSA-N 0 0 238.333 3.556 20 0 BHADRN Cc1sccc1-c1scc2c1OCCO2 ZINC000854206255 588779280 /nfs/dbraw/zinc/77/92/80/588779280.db2.gz KWQXQAKOOGSBQZ-UHFFFAOYSA-N 0 0 238.333 3.556 20 0 BHADRN Cc1cscc1-c1scc2c1OCCO2 ZINC000854206261 588779269 /nfs/dbraw/zinc/77/92/69/588779269.db2.gz LCYIIDXREROIAW-UHFFFAOYSA-N 0 0 238.333 3.556 20 0 BHADRN Cc1ccc(-c2cnn([C@H]3CCCCO3)c2)s1 ZINC000854206786 588779377 /nfs/dbraw/zinc/77/93/77/588779377.db2.gz AJVQLPDDHIKVNX-CYBMUJFWSA-N 0 0 248.351 3.619 20 0 BHADRN Cc1ccc(-c2cnn([C@@H]3CCCCO3)c2)s1 ZINC000854206788 588779288 /nfs/dbraw/zinc/77/92/88/588779288.db2.gz AJVQLPDDHIKVNX-ZDUSSCGKSA-N 0 0 248.351 3.619 20 0 BHADRN Cc1ccccc1-c1cnn([C@@H]2CCCCO2)c1 ZINC000854207058 588779227 /nfs/dbraw/zinc/77/92/27/588779227.db2.gz FJQYAKYHDNDKBB-HNNXBMFYSA-N 0 0 242.322 3.558 20 0 BHADRN Cc1ccccc1-c1cnn([C@H]2CCCCO2)c1 ZINC000854207060 588779266 /nfs/dbraw/zinc/77/92/66/588779266.db2.gz FJQYAKYHDNDKBB-OAHLLOKOSA-N 0 0 242.322 3.558 20 0 BHADRN Cc1cc(-c2cnn([C@H]3CCCCO3)c2)cs1 ZINC000854207214 588779237 /nfs/dbraw/zinc/77/92/37/588779237.db2.gz HFEZORSMABLUSP-CYBMUJFWSA-N 0 0 248.351 3.619 20 0 BHADRN Cc1cc(-c2cnn([C@@H]3CCCCO3)c2)cs1 ZINC000854207215 588779418 /nfs/dbraw/zinc/77/94/18/588779418.db2.gz HFEZORSMABLUSP-ZDUSSCGKSA-N 0 0 248.351 3.619 20 0 BHADRN Cc1sccc1-c1cnn([C@H]2CCCCO2)c1 ZINC000854207224 588779406 /nfs/dbraw/zinc/77/94/06/588779406.db2.gz HMRUMNIQJUFPKS-CYBMUJFWSA-N 0 0 248.351 3.619 20 0 BHADRN Cc1sccc1-c1cnn([C@@H]2CCCCO2)c1 ZINC000854207225 588779390 /nfs/dbraw/zinc/77/93/90/588779390.db2.gz HMRUMNIQJUFPKS-ZDUSSCGKSA-N 0 0 248.351 3.619 20 0 BHADRN Cc1cccc(-c2cnn([C@@H]3CCCCO3)c2)c1 ZINC000854207809 588779274 /nfs/dbraw/zinc/77/92/74/588779274.db2.gz NUYDWFLQLVIOOJ-HNNXBMFYSA-N 0 0 242.322 3.558 20 0 BHADRN Cc1cccc(-c2cnn([C@H]3CCCCO3)c2)c1 ZINC000854207810 588779254 /nfs/dbraw/zinc/77/92/54/588779254.db2.gz NUYDWFLQLVIOOJ-OAHLLOKOSA-N 0 0 242.322 3.558 20 0 BHADRN Cc1ccsc1-c1cnn([C@H]2CCCCO2)c1 ZINC000854207889 588779522 /nfs/dbraw/zinc/77/95/22/588779522.db2.gz PUXCGJSXKBGHES-GFCCVEGCSA-N 0 0 248.351 3.619 20 0 BHADRN Cc1ccsc1-c1cnn([C@@H]2CCCCO2)c1 ZINC000854207890 588779576 /nfs/dbraw/zinc/77/95/76/588779576.db2.gz PUXCGJSXKBGHES-LBPRGKRZSA-N 0 0 248.351 3.619 20 0 BHADRN Cc1cscc1-c1cnn([C@H]2CCCCO2)c1 ZINC000854208027 588779650 /nfs/dbraw/zinc/77/96/50/588779650.db2.gz UIOHJOJHWCQVRN-CYBMUJFWSA-N 0 0 248.351 3.619 20 0 BHADRN Cc1cscc1-c1cnn([C@@H]2CCCCO2)c1 ZINC000854208028 588779518 /nfs/dbraw/zinc/77/95/18/588779518.db2.gz UIOHJOJHWCQVRN-ZDUSSCGKSA-N 0 0 248.351 3.619 20 0 BHADRN CCOc1ccc(-c2csc(COC)c2)cc1 ZINC000854208712 588779450 /nfs/dbraw/zinc/77/94/50/588779450.db2.gz RCLFDQUGVRGUNG-UHFFFAOYSA-N 0 0 248.347 3.960 20 0 BHADRN CC(C)c1cccc(NC(=O)N[C@@H]2C=CCC2)c1 ZINC000854229067 588780949 /nfs/dbraw/zinc/78/09/49/588780949.db2.gz HOAAIJDHFSAJSY-CYBMUJFWSA-N 0 0 244.338 3.650 20 0 BHADRN CC(C)c1cccc(NC(=O)N[C@H]2C=CCC2)c1 ZINC000854229068 588780823 /nfs/dbraw/zinc/78/08/23/588780823.db2.gz HOAAIJDHFSAJSY-ZDUSSCGKSA-N 0 0 244.338 3.650 20 0 BHADRN CCCc1ccc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000854249125 588782110 /nfs/dbraw/zinc/78/21/10/588782110.db2.gz WENQRAARGALWKT-WDNDVIMCSA-N 0 0 243.350 3.624 20 0 BHADRN CCCc1ccc(NC(=O)C2CC3(CC3)C2)cc1 ZINC000854249155 588782037 /nfs/dbraw/zinc/78/20/37/588782037.db2.gz WRWJCSFZSNTZRG-UHFFFAOYSA-N 0 0 243.350 3.768 20 0 BHADRN CCC/C=C/C(=O)Nc1ccccc1OCCC ZINC000854278503 588782543 /nfs/dbraw/zinc/78/25/43/588782543.db2.gz XCRXBIOLDIBYRJ-IZZDOVSWSA-N 0 0 247.338 3.770 20 0 BHADRN CCC/C=C\C(=O)Nc1ccccc1OCCC ZINC000854278504 588782436 /nfs/dbraw/zinc/78/24/36/588782436.db2.gz XCRXBIOLDIBYRJ-WDZFZDKYSA-N 0 0 247.338 3.770 20 0 BHADRN CCCC[C@@](C)(F)C(=O)Oc1ccc(F)cc1 ZINC000854315816 588783415 /nfs/dbraw/zinc/78/34/15/588783415.db2.gz FBTAXIWYYRQIBT-CYBMUJFWSA-N 0 0 242.265 3.650 20 0 BHADRN CCCC[C@](C)(F)C(=O)Oc1ccc(F)cc1 ZINC000854315817 588783249 /nfs/dbraw/zinc/78/32/49/588783249.db2.gz FBTAXIWYYRQIBT-ZDUSSCGKSA-N 0 0 242.265 3.650 20 0 BHADRN CCCC[C@@](C)(F)C(=O)Oc1cccc(F)c1 ZINC000854315994 588783424 /nfs/dbraw/zinc/78/34/24/588783424.db2.gz KULRAPKDVSNWEB-CYBMUJFWSA-N 0 0 242.265 3.650 20 0 BHADRN CCCC[C@](C)(F)C(=O)Oc1cccc(F)c1 ZINC000854315995 588783248 /nfs/dbraw/zinc/78/32/48/588783248.db2.gz KULRAPKDVSNWEB-ZDUSSCGKSA-N 0 0 242.265 3.650 20 0 BHADRN CCC(F)(F)C(=O)Nc1ccc(Cl)cc1C ZINC000854318279 588783374 /nfs/dbraw/zinc/78/33/74/588783374.db2.gz AWIAXRDHQNGHFW-UHFFFAOYSA-N 0 0 247.672 3.632 20 0 BHADRN CC1(C)CC[C@H]1NC(=O)C1CC2(C1)CCCCC2 ZINC000854454805 588787268 /nfs/dbraw/zinc/78/72/68/588787268.db2.gz BNFJLEKUESUTGN-CYBMUJFWSA-N 0 0 249.398 3.652 20 0 BHADRN CC1(C)CC[C@@H]1NC(=O)C1CC2(C1)CCCCC2 ZINC000854454807 588787277 /nfs/dbraw/zinc/78/72/77/588787277.db2.gz BNFJLEKUESUTGN-ZDUSSCGKSA-N 0 0 249.398 3.652 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@H]1CCC1(C)C ZINC000854455503 588787561 /nfs/dbraw/zinc/78/75/61/588787561.db2.gz GPYCFGVCRFSQEE-AWEZNQCLSA-N 0 0 245.366 3.728 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@@H]1CCC1(C)C ZINC000854455504 588787476 /nfs/dbraw/zinc/78/74/76/588787476.db2.gz GPYCFGVCRFSQEE-CQSZACIVSA-N 0 0 245.366 3.728 20 0 BHADRN CC1(C)CC[C@H]1NC(=O)C1CCC(C2CC2)CC1 ZINC000854457045 588787521 /nfs/dbraw/zinc/78/75/21/588787521.db2.gz VCVSJIRLTGXGAJ-JXQTWKCFSA-N 0 0 249.398 3.508 20 0 BHADRN CC1(C)CC[C@@H]1NC(=O)C1CCC(C2CC2)CC1 ZINC000854457046 588787527 /nfs/dbraw/zinc/78/75/27/588787527.db2.gz VCVSJIRLTGXGAJ-RUXDESIVSA-N 0 0 249.398 3.508 20 0 BHADRN CCC(CC)N(CC)C(=O)/C=C(/C)c1ccco1 ZINC000854489540 588789393 /nfs/dbraw/zinc/78/93/93/588789393.db2.gz GZSVDOINOGDXGA-QXMHVHEDSA-N 0 0 249.354 3.720 20 0 BHADRN CCC(CC)N(CC)C(=O)/C=C(\C)c1ccco1 ZINC000854489541 588789238 /nfs/dbraw/zinc/78/92/38/588789238.db2.gz GZSVDOINOGDXGA-VAWYXSNFSA-N 0 0 249.354 3.720 20 0 BHADRN CCN(C(=O)/C=C(/C)c1ccco1)[C@H](C)C(C)C ZINC000854510290 588789876 /nfs/dbraw/zinc/78/98/76/588789876.db2.gz NAZLHOGNMZOBJP-KXXVWKPMSA-N 0 0 249.354 3.576 20 0 BHADRN CCN(C(=O)/C=C(\C)c1ccco1)[C@H](C)C(C)C ZINC000854510291 588789759 /nfs/dbraw/zinc/78/97/59/588789759.db2.gz NAZLHOGNMZOBJP-RSKUSDAESA-N 0 0 249.354 3.576 20 0 BHADRN CCN(C(=O)/C=C(/C)c1ccco1)[C@@H](C)C(C)C ZINC000854510292 588789846 /nfs/dbraw/zinc/78/98/46/588789846.db2.gz NAZLHOGNMZOBJP-UKVQZPPCSA-N 0 0 249.354 3.576 20 0 BHADRN CCN(C(=O)/C=C(\C)c1ccco1)[C@@H](C)C(C)C ZINC000854510293 588789790 /nfs/dbraw/zinc/78/97/90/588789790.db2.gz NAZLHOGNMZOBJP-XSNHNAGMSA-N 0 0 249.354 3.576 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)/C=C(/C)c1ccco1 ZINC000854532519 588790706 /nfs/dbraw/zinc/79/07/06/588790706.db2.gz LKPUGZGOLJBSGD-HHQWOOOKSA-N 0 0 249.354 3.720 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)/C=C(\C)c1ccco1 ZINC000854532520 588790679 /nfs/dbraw/zinc/79/06/79/588790679.db2.gz LKPUGZGOLJBSGD-XZHRJIJLSA-N 0 0 249.354 3.720 20 0 BHADRN CCCC[C@@H](C)N(C)C(=O)/C=C(/C)c1ccco1 ZINC000854532521 588790866 /nfs/dbraw/zinc/79/08/66/588790866.db2.gz LKPUGZGOLJBSGD-YLGBQOPLSA-N 0 0 249.354 3.720 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)/C=C(\C)c1ccco1 ZINC000854532522 588790821 /nfs/dbraw/zinc/79/08/21/588790821.db2.gz LKPUGZGOLJBSGD-YLSINNKHSA-N 0 0 249.354 3.720 20 0 BHADRN CCC1(C)CN(C(=O)c2ccccc2C(C)C)C1 ZINC000854572612 588794797 /nfs/dbraw/zinc/79/47/97/588794797.db2.gz CZKVUGRKTQPHSE-UHFFFAOYSA-N 0 0 245.366 3.682 20 0 BHADRN CCN(CC(C)(C)C)C(=O)/C=C(/C)c1ccco1 ZINC000854573862 588795068 /nfs/dbraw/zinc/79/50/68/588795068.db2.gz DYCHUUPGXMXSMG-BENRWUELSA-N 0 0 249.354 3.578 20 0 BHADRN CCN(CC(C)(C)C)C(=O)/C=C(\C)c1ccco1 ZINC000854573863 588795038 /nfs/dbraw/zinc/79/50/38/588795038.db2.gz DYCHUUPGXMXSMG-ZRDIBKRKSA-N 0 0 249.354 3.578 20 0 BHADRN C/C(=C/C(=O)NC(C)(C)C(C)(C)C)c1ccco1 ZINC000854637462 588798595 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ZCBOPFMPWZZOBF-CQSZACIVSA-N 0 0 241.350 3.521 20 0 BHADRN CCC1(NC(=O)/C=C(/C)c2ccco2)CCCC1 ZINC000854749773 588805208 /nfs/dbraw/zinc/80/52/08/588805208.db2.gz RIQSMPPNNHDRSU-QXMHVHEDSA-N 0 0 247.338 3.522 20 0 BHADRN CCC1(NC(=O)/C=C(\C)c2ccco2)CCCC1 ZINC000854749780 588805240 /nfs/dbraw/zinc/80/52/40/588805240.db2.gz RIQSMPPNNHDRSU-VAWYXSNFSA-N 0 0 247.338 3.522 20 0 BHADRN CCC1(NC(=O)c2ccc(CF)cc2)CCCC1 ZINC000854750645 588805307 /nfs/dbraw/zinc/80/53/07/588805307.db2.gz WHSZGSYZLRIDOF-UHFFFAOYSA-N 0 0 249.329 3.609 20 0 BHADRN CC/C=C/CNC(=O)c1ccccc1C(C)C ZINC000854781571 588809173 /nfs/dbraw/zinc/80/91/73/588809173.db2.gz IGWLZZDKADLSPU-VMPITWQZSA-N 0 0 231.339 3.506 20 0 BHADRN CC/C=C\CNC(=O)c1ccccc1C(C)C ZINC000854781572 583093713 /nfs/dbraw/zinc/09/37/13/583093713.db2.gz IGWLZZDKADLSPU-YVMONPNESA-N 0 0 231.339 3.506 20 0 BHADRN CC[C@@H]1C[C@H]1CNC(=O)c1ccccc1C(C)C ZINC000854817633 588812059 /nfs/dbraw/zinc/81/20/59/588812059.db2.gz SQFPSHAZRQSRFX-OLZOCXBDSA-N 0 0 245.366 3.586 20 0 BHADRN O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCCCCCCC1 ZINC000854842266 588813122 /nfs/dbraw/zinc/81/31/22/588813122.db2.gz HZNCZXCLJMKLFB-KFWWJZLASA-N 0 0 249.398 3.605 20 0 BHADRN O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCCCCCCC1 ZINC000854842268 588813198 /nfs/dbraw/zinc/81/31/98/588813198.db2.gz HZNCZXCLJMKLFB-RRFJBIMHSA-N 0 0 249.398 3.605 20 0 BHADRN CC1(C)CC[C@@H]1C(=O)N1CCCCCCCC1 ZINC000854843768 588813148 /nfs/dbraw/zinc/81/31/48/588813148.db2.gz ZDRCXRYLOAWQBW-CYBMUJFWSA-N 0 0 237.387 3.605 20 0 BHADRN CC1(C)CC[C@H]1C(=O)N1CCCCCCCC1 ZINC000854843770 588812971 /nfs/dbraw/zinc/81/29/71/588812971.db2.gz ZDRCXRYLOAWQBW-ZDUSSCGKSA-N 0 0 237.387 3.605 20 0 BHADRN CC(C(=O)N1[C@H](C)CCC1(C)C)=C1CCCC1 ZINC000854897887 588815865 /nfs/dbraw/zinc/81/58/65/588815865.db2.gz KDRJKMJAAUWQTJ-LLVKDONJSA-N 0 0 235.371 3.666 20 0 BHADRN CC(C(=O)N1[C@@H](C)CCC1(C)C)=C1CCCC1 ZINC000854897888 588815843 /nfs/dbraw/zinc/81/58/43/588815843.db2.gz KDRJKMJAAUWQTJ-NSHDSACASA-N 0 0 235.371 3.666 20 0 BHADRN C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(CF)cc1 ZINC000854898553 588815943 /nfs/dbraw/zinc/81/59/43/588815943.db2.gz YLSVOQOXHBXEDI-LLVKDONJSA-N 0 0 249.329 3.559 20 0 BHADRN C[C@H]1CCC(C)(C)N1C(=O)c1ccc(CF)cc1 ZINC000854898554 588815888 /nfs/dbraw/zinc/81/58/88/588815888.db2.gz YLSVOQOXHBXEDI-NSHDSACASA-N 0 0 249.329 3.559 20 0 BHADRN CC(C)c1ccccc1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000854913422 588816693 /nfs/dbraw/zinc/81/66/93/588816693.db2.gz IGZMGNJTABGSLE-LSDHHAIUSA-N 0 0 245.366 3.584 20 0 BHADRN CCCC[C@](C)(F)C(=O)N(C)C1CC(C)(C)C1 ZINC000854916101 588816582 /nfs/dbraw/zinc/81/65/82/588816582.db2.gz NFNZUUQNSGGZBO-AWEZNQCLSA-N 0 0 243.366 3.552 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N(C)C1CC(C)(C)C1 ZINC000854916102 588816622 /nfs/dbraw/zinc/81/66/22/588816622.db2.gz NFNZUUQNSGGZBO-CQSZACIVSA-N 0 0 243.366 3.552 20 0 BHADRN CCC[C@@H](NC(=O)C(F)(F)CC)C1CCCC1 ZINC000854918770 588816854 /nfs/dbraw/zinc/81/68/54/588816854.db2.gz JEWMGONWRGJRMF-LLVKDONJSA-N 0 0 247.329 3.507 20 0 BHADRN CCC[C@H](NC(=O)C(F)(F)CC)C1CCCC1 ZINC000854918771 588816831 /nfs/dbraw/zinc/81/68/31/588816831.db2.gz JEWMGONWRGJRMF-NSHDSACASA-N 0 0 247.329 3.507 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N1CC(C)(C)C[C@H]1C ZINC000854939831 588817182 /nfs/dbraw/zinc/81/71/82/588817182.db2.gz VEMJHASJBQLYJV-BXUZGUMPSA-N 0 0 243.366 3.552 20 0 BHADRN CCCC[C@](C)(F)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000854939832 588817187 /nfs/dbraw/zinc/81/71/87/588817187.db2.gz VEMJHASJBQLYJV-FZMZJTMJSA-N 0 0 243.366 3.552 20 0 BHADRN CCCC[C@](C)(F)C(=O)N1CC(C)(C)C[C@H]1C ZINC000854939833 588817270 /nfs/dbraw/zinc/81/72/70/588817270.db2.gz VEMJHASJBQLYJV-RISCZKNCSA-N 0 0 243.366 3.552 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000854939834 588817339 /nfs/dbraw/zinc/81/73/39/588817339.db2.gz VEMJHASJBQLYJV-SMDDNHRTSA-N 0 0 243.366 3.552 20 0 BHADRN CCCC[C@](C)(F)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000854986670 588819799 /nfs/dbraw/zinc/81/97/99/588819799.db2.gz YBCNLAQEOBZSGR-BZPMIXESSA-N 0 0 243.366 3.552 20 0 BHADRN CCCC[C@@](C)(F)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000854986671 588819684 /nfs/dbraw/zinc/81/96/84/588819684.db2.gz YBCNLAQEOBZSGR-YRGRVCCFSA-N 0 0 243.366 3.552 20 0 BHADRN CCC(F)(F)C(=O)Nc1ccccc1C(F)F ZINC000854987063 588819838 /nfs/dbraw/zinc/81/98/38/588819838.db2.gz JICAAEPXWBKZOO-UHFFFAOYSA-N 0 0 249.207 3.608 20 0 BHADRN CC1CCC(=CC(=O)N2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000855059873 712614848 /nfs/dbraw/zinc/61/48/48/712614848.db2.gz CSQWDUJMLRJKPI-ZRNAQANOSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C/C1CCCCC1)N1C[C@@H]2CCCC[C@@H]21 ZINC000855060154 712614812 /nfs/dbraw/zinc/61/48/12/712614812.db2.gz DVJIIDHBWWKZGG-BWLFODOESA-N 0 0 247.382 3.524 20 0 BHADRN O=C(/C=C\C1CCCCC1)N1C[C@@H]2CCCC[C@@H]21 ZINC000855060156 712614688 /nfs/dbraw/zinc/61/46/88/712614688.db2.gz DVJIIDHBWWKZGG-PBARLCFESA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C1CCCCCCC1)N1C[C@@H]2CCCC[C@@H]21 ZINC000855061277 588821997 /nfs/dbraw/zinc/82/19/97/588821997.db2.gz RMMCZQGQAHCGJW-GJZGRUSLSA-N 0 0 249.398 3.748 20 0 BHADRN CC(C)CC(=O)Oc1cccc(Cl)c1Cl ZINC000855141854 588823560 /nfs/dbraw/zinc/82/35/60/588823560.db2.gz FRHCMLCIVOKXOC-UHFFFAOYSA-N 0 0 247.121 3.945 20 0 BHADRN C/C=C(/C=C/C(=O)N(CC)[C@H](C)CC)CC ZINC000855144615 588823789 /nfs/dbraw/zinc/82/37/89/588823789.db2.gz FYHXYOLRKULIBF-DIBWLWDPSA-N 0 0 223.360 3.546 20 0 BHADRN C/C=C(/C=C\C(=O)N(CC)[C@@H](C)CC)CC ZINC000855144616 588823942 /nfs/dbraw/zinc/82/39/42/588823942.db2.gz FYHXYOLRKULIBF-NZQCQRNYSA-N 0 0 223.360 3.546 20 0 BHADRN C/C=C(/C=C\C(=O)N(CC)[C@H](C)CC)CC ZINC000855144617 588823831 /nfs/dbraw/zinc/82/38/31/588823831.db2.gz FYHXYOLRKULIBF-OZISWNSXSA-N 0 0 223.360 3.546 20 0 BHADRN C/C=C(/C=C/C(=O)N(CC)[C@@H](C)CC)CC ZINC000855144618 588823914 /nfs/dbraw/zinc/82/39/14/588823914.db2.gz FYHXYOLRKULIBF-YYNKXQDCSA-N 0 0 223.360 3.546 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)c1cc(Cl)cs1 ZINC000855145314 588824016 /nfs/dbraw/zinc/82/40/16/588824016.db2.gz LJHKPUWYASCBPY-MRVPVSSYSA-N 0 0 245.775 3.662 20 0 BHADRN CC[C@H](C)N(CC)C(=O)c1cc(Cl)cs1 ZINC000855145315 588824151 /nfs/dbraw/zinc/82/41/51/588824151.db2.gz LJHKPUWYASCBPY-QMMMGPOBSA-N 0 0 245.775 3.662 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)/C(C)=C/C(C)(C)C ZINC000855145695 588823973 /nfs/dbraw/zinc/82/39/73/588823973.db2.gz OFWKVOOGIPMCRT-HCRIHEDKSA-N 0 0 225.376 3.626 20 0 BHADRN CC[C@H](C)N(CC)C(=O)/C(C)=C/C(C)(C)C ZINC000855145696 588823967 /nfs/dbraw/zinc/82/39/67/588823967.db2.gz OFWKVOOGIPMCRT-IIANPFDCSA-N 0 0 225.376 3.626 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)/C(C)=C\C(C)(C)C ZINC000855145697 588823984 /nfs/dbraw/zinc/82/39/84/588823984.db2.gz OFWKVOOGIPMCRT-NLYDNYMLSA-N 0 0 225.376 3.626 20 0 BHADRN CC[C@H](C)N(CC)C(=O)/C(C)=C\C(C)(C)C ZINC000855145698 588823997 /nfs/dbraw/zinc/82/39/97/588823997.db2.gz OFWKVOOGIPMCRT-WEHUKYGOSA-N 0 0 225.376 3.626 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)/C=C(\C)C(C)(C)C ZINC000855146114 588824142 /nfs/dbraw/zinc/82/41/42/588824142.db2.gz SUOLQZRDNQTZOU-HCRIHEDKSA-N 0 0 225.376 3.626 20 0 BHADRN CC[C@H](C)N(CC)C(=O)/C=C(\C)C(C)(C)C ZINC000855146115 588824019 /nfs/dbraw/zinc/82/40/19/588824019.db2.gz SUOLQZRDNQTZOU-IIANPFDCSA-N 0 0 225.376 3.626 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)/C=C(/C)C(C)(C)C ZINC000855146116 588824070 /nfs/dbraw/zinc/82/40/70/588824070.db2.gz SUOLQZRDNQTZOU-NLYDNYMLSA-N 0 0 225.376 3.626 20 0 BHADRN CC[C@H](C)N(CC)C(=O)/C=C(/C)C(C)(C)C ZINC000855146117 588823981 /nfs/dbraw/zinc/82/39/81/588823981.db2.gz SUOLQZRDNQTZOU-WEHUKYGOSA-N 0 0 225.376 3.626 20 0 BHADRN CC[C@H](C)N(CC)C(=O)/C=C(/C)c1ccccc1 ZINC000855148304 588824306 /nfs/dbraw/zinc/82/43/06/588824306.db2.gz ATWHFAZQZSZDLT-DINCDJDBSA-N 0 0 245.366 3.737 20 0 BHADRN CC[C@H](C)N(CC)C(=O)/C=C(\C)c1ccccc1 ZINC000855148305 588824324 /nfs/dbraw/zinc/82/43/24/588824324.db2.gz ATWHFAZQZSZDLT-FNDVETGQSA-N 0 0 245.366 3.737 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)/C=C(/C)c1ccccc1 ZINC000855148306 588824235 /nfs/dbraw/zinc/82/42/35/588824235.db2.gz ATWHFAZQZSZDLT-WUFNSSIPSA-N 0 0 245.366 3.737 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)/C=C(\C)c1ccccc1 ZINC000855148307 588824351 /nfs/dbraw/zinc/82/43/51/588824351.db2.gz ATWHFAZQZSZDLT-XTZCOPOCSA-N 0 0 245.366 3.737 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)C(C)=C1CCCC1 ZINC000855148863 588824330 /nfs/dbraw/zinc/82/43/30/588824330.db2.gz NRIIBNNQHMODQW-LLVKDONJSA-N 0 0 223.360 3.524 20 0 BHADRN CC[C@H](C)N(CC)C(=O)C(C)=C1CCCC1 ZINC000855148864 588824192 /nfs/dbraw/zinc/82/41/92/588824192.db2.gz NRIIBNNQHMODQW-NSHDSACASA-N 0 0 223.360 3.524 20 0 BHADRN CCc1ccc(C(=O)N(CC)[C@@H](C)CC)s1 ZINC000855148981 588824272 /nfs/dbraw/zinc/82/42/72/588824272.db2.gz QGIYDTMAVZNBHG-JTQLQIEISA-N 0 0 239.384 3.571 20 0 BHADRN CCc1ccc(C(=O)N(CC)[C@H](C)CC)s1 ZINC000855148982 588824435 /nfs/dbraw/zinc/82/44/35/588824435.db2.gz QGIYDTMAVZNBHG-SNVBAGLBSA-N 0 0 239.384 3.571 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)C=C1CCCCC1 ZINC000855149050 588824466 /nfs/dbraw/zinc/82/44/66/588824466.db2.gz SDRMOTBFTROCDM-GFCCVEGCSA-N 0 0 223.360 3.524 20 0 BHADRN CC[C@H](C)N(CC)C(=O)C=C1CCCCC1 ZINC000855149051 588824441 /nfs/dbraw/zinc/82/44/41/588824441.db2.gz SDRMOTBFTROCDM-LBPRGKRZSA-N 0 0 223.360 3.524 20 0 BHADRN CCCCCCC(=O)N(CC)[C@H](C)CC ZINC000855149309 588824428 /nfs/dbraw/zinc/82/44/28/588824428.db2.gz YQAQPPUZATWXQY-GFCCVEGCSA-N 0 0 213.365 3.604 20 0 BHADRN CCCCCCC(=O)N(CC)[C@@H](C)CC ZINC000855149310 588822622 /nfs/dbraw/zinc/82/26/22/588822622.db2.gz YQAQPPUZATWXQY-LBPRGKRZSA-N 0 0 213.365 3.604 20 0 BHADRN O=C(/C=C\C1CC1)N[C@H]1CCCC12CCCCC2 ZINC000855202839 588825954 /nfs/dbraw/zinc/82/59/54/588825954.db2.gz BVVZAMRRHDZWCX-CKXPSTMWSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C/C1CC1)N[C@@H]1CCCC12CCCCC2 ZINC000855202840 588825855 /nfs/dbraw/zinc/82/58/55/588825855.db2.gz BVVZAMRRHDZWCX-MYSGNRETSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C\C1CC1)N[C@@H]1CCCC12CCCCC2 ZINC000855202841 588825809 /nfs/dbraw/zinc/82/58/09/588825809.db2.gz BVVZAMRRHDZWCX-QIAWRQBBSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(/C=C/C1CC1)N[C@H]1CCCC12CCCCC2 ZINC000855202842 588825913 /nfs/dbraw/zinc/82/59/13/588825913.db2.gz BVVZAMRRHDZWCX-VFNNOXKTSA-N 0 0 247.382 3.572 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000855202966 588825949 /nfs/dbraw/zinc/82/59/49/588825949.db2.gz FNZRPZIWWQEHDN-ACDNVWSCSA-N 0 0 235.371 3.572 20 0 BHADRN C/C=C(\C)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000855202967 588825914 /nfs/dbraw/zinc/82/59/14/588825914.db2.gz FNZRPZIWWQEHDN-QQFGACLNSA-N 0 0 235.371 3.572 20 0 BHADRN C/C=C(/C)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000855202968 588825881 /nfs/dbraw/zinc/82/58/81/588825881.db2.gz FNZRPZIWWQEHDN-RPHDBTCBSA-N 0 0 235.371 3.572 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000855202969 588825968 /nfs/dbraw/zinc/82/59/68/588825968.db2.gz FNZRPZIWWQEHDN-RYHWZFLVSA-N 0 0 235.371 3.572 20 0 BHADRN O=C(C=C1CCC1)N[C@H]1CCCC12CCCCC2 ZINC000855203689 588825891 /nfs/dbraw/zinc/82/58/91/588825891.db2.gz PZVKYACMYBAFGK-AWEZNQCLSA-N 0 0 247.382 3.716 20 0 BHADRN O=C(C=C1CCC1)N[C@@H]1CCCC12CCCCC2 ZINC000855203690 588825958 /nfs/dbraw/zinc/82/59/58/588825958.db2.gz PZVKYACMYBAFGK-CQSZACIVSA-N 0 0 247.382 3.716 20 0 BHADRN C/C=C/C(=O)N1CCC[C@@H]1c1c(C)cccc1C ZINC000855213806 588826094 /nfs/dbraw/zinc/82/60/94/588826094.db2.gz FSLDGAVWVVIPSC-BTKRWWFXSA-N 0 0 243.350 3.543 20 0 BHADRN C/C=C/C(=O)N1CCC[C@H]1c1c(C)cccc1C ZINC000855213807 588826152 /nfs/dbraw/zinc/82/61/52/588826152.db2.gz FSLDGAVWVVIPSC-GBXSZLQWSA-N 0 0 243.350 3.543 20 0 BHADRN C/C=C\C(=O)N1CCC[C@@H]1c1c(C)cccc1C ZINC000855213808 588826071 /nfs/dbraw/zinc/82/60/71/588826071.db2.gz FSLDGAVWVVIPSC-HJHHMULASA-N 0 0 243.350 3.543 20 0 BHADRN C/C=C\C(=O)N1CCC[C@H]1c1c(C)cccc1C ZINC000855213809 588826103 /nfs/dbraw/zinc/82/61/03/588826103.db2.gz FSLDGAVWVVIPSC-ZBKLQPJUSA-N 0 0 243.350 3.543 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cc(C)c(C)cc1OC ZINC000855350483 588828629 /nfs/dbraw/zinc/82/86/29/588828629.db2.gz WKWYORGPGAFFFB-JXMROGBWSA-N 0 0 247.338 3.607 20 0 BHADRN CC/C(C)=C\C(=O)Nc1cc(C)c(C)cc1OC ZINC000855350484 588828696 /nfs/dbraw/zinc/82/86/96/588828696.db2.gz WKWYORGPGAFFFB-YFHOEESVSA-N 0 0 247.338 3.607 20 0 BHADRN CCC/C=C/C(=O)Nc1cc(C)c(C)cc1OC ZINC000855353537 588828738 /nfs/dbraw/zinc/82/87/38/588828738.db2.gz OSGDIINBQYWFAX-BQYQJAHWSA-N 0 0 247.338 3.607 20 0 BHADRN CCC/C=C\C(=O)Nc1cc(C)c(C)cc1OC ZINC000855353538 588828543 /nfs/dbraw/zinc/82/85/43/588828543.db2.gz OSGDIINBQYWFAX-FPLPWBNLSA-N 0 0 247.338 3.607 20 0 BHADRN CC/C=C(\C)C(=O)Nc1cc(C)c(C)cc1OC ZINC000855353757 588828637 /nfs/dbraw/zinc/82/86/37/588828637.db2.gz ULNLDIOZXGHYGC-JXMROGBWSA-N 0 0 247.338 3.607 20 0 BHADRN CC/C=C(/C)C(=O)Nc1cc(C)c(C)cc1OC ZINC000855353758 588828657 /nfs/dbraw/zinc/82/86/57/588828657.db2.gz ULNLDIOZXGHYGC-YFHOEESVSA-N 0 0 247.338 3.607 20 0 BHADRN C/C=C(/CC)C(=O)Nc1cc(C)c(C)cc1OC ZINC000855353924 588828665 /nfs/dbraw/zinc/82/86/65/588828665.db2.gz WKRAONOFDOTFPY-SDQBBNPISA-N 0 0 247.338 3.607 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cc(C)c(C)cc1OC ZINC000855353925 588828500 /nfs/dbraw/zinc/82/85/00/588828500.db2.gz WKRAONOFDOTFPY-WUXMJOGZSA-N 0 0 247.338 3.607 20 0 BHADRN COc1cc(C)c(C)cc1NC(=O)C(C)=C(C)C ZINC000855353960 588828660 /nfs/dbraw/zinc/82/86/60/588828660.db2.gz XRBLVNCHRWTIBM-UHFFFAOYSA-N 0 0 247.338 3.607 20 0 BHADRN C/C=C(/C)C(=O)N1CCCC2(CCCC2)CC1 ZINC000855364287 588829415 /nfs/dbraw/zinc/82/94/15/588829415.db2.gz NVAZPSFBLQSECX-DXNYSGJVSA-N 0 0 235.371 3.526 20 0 BHADRN C/C=C(\C)C(=O)N1CCCC2(CCCC2)CC1 ZINC000855364288 588829491 /nfs/dbraw/zinc/82/94/91/588829491.db2.gz NVAZPSFBLQSECX-QLKAYGNNSA-N 0 0 235.371 3.526 20 0 BHADRN CC1(C)C[C@H]1C(=O)N1CCCC2(CCCC2)CC1 ZINC000855364428 588829455 /nfs/dbraw/zinc/82/94/55/588829455.db2.gz SKOKBAPFQQEFNS-ZDUSSCGKSA-N 0 0 249.398 3.605 20 0 BHADRN O=C(/C=C\C1CC1)N1CCCC2(CCCC2)CC1 ZINC000855364524 588829477 /nfs/dbraw/zinc/82/94/77/588829477.db2.gz WLBWULREMYWDBY-SREVYHEPSA-N 0 0 247.382 3.526 20 0 BHADRN O=C(/C=C/C1CC1)N1CCCC2(CCCC2)CC1 ZINC000855364525 588829335 /nfs/dbraw/zinc/82/93/35/588829335.db2.gz WLBWULREMYWDBY-VOTSOKGWSA-N 0 0 247.382 3.526 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)C1(F)CCCCC1 ZINC000855365483 588829541 /nfs/dbraw/zinc/82/95/41/588829541.db2.gz ODVRKXZTVSMRJT-LLVKDONJSA-N 0 0 243.366 3.600 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)C1(F)CCCCC1 ZINC000855365484 588829526 /nfs/dbraw/zinc/82/95/26/588829526.db2.gz ODVRKXZTVSMRJT-NSHDSACASA-N 0 0 243.366 3.600 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)/C(C)=C/c1ccco1 ZINC000855365528 588829550 /nfs/dbraw/zinc/82/95/50/588829550.db2.gz OPOZZTDKSQVCHM-HCRIHEDKSA-N 0 0 249.354 3.624 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)/C(C)=C/c1ccco1 ZINC000855365530 588829320 /nfs/dbraw/zinc/82/93/20/588829320.db2.gz OPOZZTDKSQVCHM-IIANPFDCSA-N 0 0 249.354 3.624 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)/C(C)=C\c1ccco1 ZINC000855365532 588829488 /nfs/dbraw/zinc/82/94/88/588829488.db2.gz OPOZZTDKSQVCHM-NLYDNYMLSA-N 0 0 249.354 3.624 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)/C(C)=C\c1ccco1 ZINC000855365533 588829473 /nfs/dbraw/zinc/82/94/73/588829473.db2.gz OPOZZTDKSQVCHM-WEHUKYGOSA-N 0 0 249.354 3.624 20 0 BHADRN CC(C)=CC(=O)N1CCCC2(CCCC2)CC1 ZINC000855366157 588829378 /nfs/dbraw/zinc/82/93/78/588829378.db2.gz WQKFBBDYFXAUOQ-UHFFFAOYSA-N 0 0 235.371 3.526 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)C(C)=C1CCCC1 ZINC000855367996 588829734 /nfs/dbraw/zinc/82/97/34/588829734.db2.gz HJGMFWCIQGASJI-GFCCVEGCSA-N 0 0 237.387 3.818 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)C(C)=C1CCCC1 ZINC000855367998 588829705 /nfs/dbraw/zinc/82/97/05/588829705.db2.gz HJGMFWCIQGASJI-LBPRGKRZSA-N 0 0 237.387 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@H](C)C(C)(C)CC ZINC000855368176 588829756 /nfs/dbraw/zinc/82/97/56/588829756.db2.gz JFGNTOOKLVFWHJ-HCRIHEDKSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H](C)C(C)(C)CC ZINC000855368177 588829748 /nfs/dbraw/zinc/82/97/48/588829748.db2.gz JFGNTOOKLVFWHJ-IIANPFDCSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@H](C)C(C)(C)CC ZINC000855368178 588829680 /nfs/dbraw/zinc/82/96/80/588829680.db2.gz JFGNTOOKLVFWHJ-NLYDNYMLSA-N 0 0 225.376 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H](C)C(C)(C)CC ZINC000855368179 588829676 /nfs/dbraw/zinc/82/96/76/588829676.db2.gz JFGNTOOKLVFWHJ-WEHUKYGOSA-N 0 0 225.376 3.674 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)C=C(C1CC1)C1CC1 ZINC000855368716 588829727 /nfs/dbraw/zinc/82/97/27/588829727.db2.gz SVTZOYFMUWMDMY-LLVKDONJSA-N 0 0 249.398 3.674 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)C=C(C1CC1)C1CC1 ZINC000855368717 588829732 /nfs/dbraw/zinc/82/97/32/588829732.db2.gz SVTZOYFMUWMDMY-NSHDSACASA-N 0 0 249.398 3.674 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)/C=C\C(C)(C)C ZINC000855369225 588829623 /nfs/dbraw/zinc/82/96/23/588829623.db2.gz YSLNSCGKVPCDED-DWOQACPDSA-N 0 0 225.376 3.530 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC000855369227 588829750 /nfs/dbraw/zinc/82/97/50/588829750.db2.gz YSLNSCGKVPCDED-JUDLJHIGSA-N 0 0 225.376 3.530 20 0 BHADRN CCC(C)(C)[C@@H](C)NC(=O)/C=C/C(C)(C)C ZINC000855369228 588829633 /nfs/dbraw/zinc/82/96/33/588829633.db2.gz YSLNSCGKVPCDED-PBQZMEPESA-N 0 0 225.376 3.530 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC000855369229 588829742 /nfs/dbraw/zinc/82/97/42/588829742.db2.gz YSLNSCGKVPCDED-USKTWTLRSA-N 0 0 225.376 3.530 20 0 BHADRN O=C(CCCC1CCCCC1)N[C@H]1C=CCC1 ZINC000855420558 588832768 /nfs/dbraw/zinc/83/27/68/588832768.db2.gz VKPKZUBJHKHOAD-AWEZNQCLSA-N 0 0 235.371 3.572 20 0 BHADRN O=C(CCCC1CCCCC1)N[C@@H]1C=CCC1 ZINC000855420560 588832762 /nfs/dbraw/zinc/83/27/62/588832762.db2.gz VKPKZUBJHKHOAD-CQSZACIVSA-N 0 0 235.371 3.572 20 0 BHADRN CCCCC[C@H](C(=O)N[C@H]1C=CCC1)C(C)C ZINC000855426408 588833685 /nfs/dbraw/zinc/83/36/85/588833685.db2.gz FGJUGBNTXAGODQ-KBPBESRZSA-N 0 0 237.387 3.674 20 0 BHADRN CCCCC[C@H](C(=O)N[C@@H]1C=CCC1)C(C)C ZINC000855426410 588833765 /nfs/dbraw/zinc/83/37/65/588833765.db2.gz FGJUGBNTXAGODQ-KGLIPLIRSA-N 0 0 237.387 3.674 20 0 BHADRN CCCCC[C@@H](C(=O)N[C@H]1C=CCC1)C(C)C ZINC000855426412 588833851 /nfs/dbraw/zinc/83/38/51/588833851.db2.gz FGJUGBNTXAGODQ-UONOGXRCSA-N 0 0 237.387 3.674 20 0 BHADRN CCCCC[C@@H](C(=O)N[C@@H]1C=CCC1)C(C)C ZINC000855426414 588833862 /nfs/dbraw/zinc/83/38/62/588833862.db2.gz FGJUGBNTXAGODQ-ZIAGYGMSSA-N 0 0 237.387 3.674 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N[C@H]1C=CCC1 ZINC000855431195 588835124 /nfs/dbraw/zinc/83/51/24/588835124.db2.gz TZZKUGSXXFHHJB-DZGCQCFKSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N[C@@H]1C=CCC1 ZINC000855431196 588835017 /nfs/dbraw/zinc/83/50/17/588835017.db2.gz TZZKUGSXXFHHJB-HIFRSBDPSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N[C@@H]1C=CCC1 ZINC000855431198 588835035 /nfs/dbraw/zinc/83/50/35/588835035.db2.gz TZZKUGSXXFHHJB-UKRRQHHQSA-N 0 0 237.387 3.818 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N[C@H]1C=CCC1 ZINC000855431199 588835139 /nfs/dbraw/zinc/83/51/39/588835139.db2.gz TZZKUGSXXFHHJB-ZFWWWQNUSA-N 0 0 237.387 3.818 20 0 BHADRN O=C(CCC1CCCCCC1)N[C@H]1C=CCC1 ZINC000855434883 588836393 /nfs/dbraw/zinc/83/63/93/588836393.db2.gz SMCFHNJFKXSOFR-AWEZNQCLSA-N 0 0 235.371 3.572 20 0 BHADRN O=C(CCC1CCCCCC1)N[C@@H]1C=CCC1 ZINC000855434884 588836354 /nfs/dbraw/zinc/83/63/54/588836354.db2.gz SMCFHNJFKXSOFR-CQSZACIVSA-N 0 0 235.371 3.572 20 0 BHADRN CC(C)CC(CC(C)C)C(=O)N[C@H]1C=CCC1 ZINC000855435146 588836430 /nfs/dbraw/zinc/83/64/30/588836430.db2.gz YKAMCGVUUIQIQK-AWEZNQCLSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)CC(CC(C)C)C(=O)N[C@@H]1C=CCC1 ZINC000855435147 588836439 /nfs/dbraw/zinc/83/64/39/588836439.db2.gz YKAMCGVUUIQIQK-CQSZACIVSA-N 0 0 237.387 3.530 20 0 BHADRN CC(C)=CCC[C@H](C)CC(=O)N[C@H]1C=CCC1 ZINC000855436251 588836765 /nfs/dbraw/zinc/83/67/65/588836765.db2.gz XUOVWZQPJOFHKF-KBPBESRZSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C)=CCC[C@@H](C)CC(=O)N[C@H]1C=CCC1 ZINC000855436252 588836838 /nfs/dbraw/zinc/83/68/38/588836838.db2.gz XUOVWZQPJOFHKF-KGLIPLIRSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1C=CCC1 ZINC000855436253 588836791 /nfs/dbraw/zinc/83/67/91/588836791.db2.gz XUOVWZQPJOFHKF-UONOGXRCSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1C=CCC1 ZINC000855436254 583105720 /nfs/dbraw/zinc/10/57/20/583105720.db2.gz XUOVWZQPJOFHKF-ZIAGYGMSSA-N 0 0 235.371 3.594 20 0 BHADRN CC(C(=O)N1CCC(C2CCC2)CC1)=C1CCC1 ZINC000855437500 588836752 /nfs/dbraw/zinc/83/67/52/588836752.db2.gz FYOQIMFTNPGBAI-UHFFFAOYSA-N 0 0 247.382 3.526 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](c1ccccc1F)C(C)C ZINC000855530290 588838960 /nfs/dbraw/zinc/83/89/60/588838960.db2.gz BWJALFKOOHHBHQ-GJIAFCOMSA-N 0 0 249.329 3.605 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](c1ccccc1F)C(C)C ZINC000855530292 588838942 /nfs/dbraw/zinc/83/89/42/588838942.db2.gz BWJALFKOOHHBHQ-JAYGETEZSA-N 0 0 249.329 3.605 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](c1ccccc1F)C(C)C ZINC000855530293 588839017 /nfs/dbraw/zinc/83/90/17/588839017.db2.gz BWJALFKOOHHBHQ-RCGFYWBFSA-N 0 0 249.329 3.605 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](c1ccccc1F)C(C)C ZINC000855530295 588838993 /nfs/dbraw/zinc/83/89/93/588838993.db2.gz BWJALFKOOHHBHQ-RKXVYHDYSA-N 0 0 249.329 3.605 20 0 BHADRN CC(C)=CC(=O)N[C@H](c1ccccc1F)C(C)C ZINC000855531347 588838829 /nfs/dbraw/zinc/83/88/29/588838829.db2.gz MYQWALSSHRMXBK-HNNXBMFYSA-N 0 0 249.329 3.605 20 0 BHADRN CC(C)=CC(=O)N[C@@H](c1ccccc1F)C(C)C ZINC000855531348 588838901 /nfs/dbraw/zinc/83/89/01/588838901.db2.gz MYQWALSSHRMXBK-OAHLLOKOSA-N 0 0 249.329 3.605 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCc1cc(C)cc(C)c1 ZINC000855614489 588842435 /nfs/dbraw/zinc/84/24/35/588842435.db2.gz KZURDDKTZVSJCJ-BUHFOSPRSA-N 0 0 245.366 3.666 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCc1cc(C)cc(C)c1 ZINC000855614490 588842571 /nfs/dbraw/zinc/84/25/71/588842571.db2.gz KZURDDKTZVSJCJ-YPKPFQOOSA-N 0 0 245.366 3.666 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CCc2ccccc21 ZINC000855740449 588846583 /nfs/dbraw/zinc/84/65/83/588846583.db2.gz OSKIKNKHFUTACA-AYJWMTRPSA-N 0 0 243.350 3.537 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CCc2ccccc21 ZINC000855740450 588846451 /nfs/dbraw/zinc/84/64/51/588846451.db2.gz OSKIKNKHFUTACA-QYMJWVLRSA-N 0 0 243.350 3.537 20 0 BHADRN CC/C(C)=C(\C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000855740462 588846585 /nfs/dbraw/zinc/84/65/85/588846585.db2.gz PNPAFNFGPWSJIK-AYJWMTRPSA-N 0 0 243.350 3.537 20 0 BHADRN CC/C(C)=C(/C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000855740463 588846495 /nfs/dbraw/zinc/84/64/95/588846495.db2.gz PNPAFNFGPWSJIK-QYMJWVLRSA-N 0 0 243.350 3.537 20 0 BHADRN CCCCCC(C)(C)C(=O)NCCC(C)(C)F ZINC000855744509 588846697 /nfs/dbraw/zinc/84/66/97/588846697.db2.gz HHRQYOQSSIVESJ-UHFFFAOYSA-N 0 0 245.382 3.847 20 0 BHADRN CC(C)CCCCCC(=O)NCCC(C)(C)F ZINC000855745080 588846624 /nfs/dbraw/zinc/84/66/24/588846624.db2.gz OSUQHRJVSUFFLM-UHFFFAOYSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCC[C@@H](C)CC(=O)NCCC(C)(C)F ZINC000855745488 588846693 /nfs/dbraw/zinc/84/66/93/588846693.db2.gz SEVXRYNWQXEKMY-GFCCVEGCSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCC[C@H](C)CC(=O)NCCC(C)(C)F ZINC000855745489 588846733 /nfs/dbraw/zinc/84/67/33/588846733.db2.gz SEVXRYNWQXEKMY-LBPRGKRZSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCCC[C@@H](C)C(=O)NCCC(C)(C)F ZINC000855745514 588846717 /nfs/dbraw/zinc/84/67/17/588846717.db2.gz UCXGHIOVWDDKTI-GFCCVEGCSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCCC[C@H](C)C(=O)NCCC(C)(C)F ZINC000855745515 588846806 /nfs/dbraw/zinc/84/68/06/588846806.db2.gz UCXGHIOVWDDKTI-LBPRGKRZSA-N 0 0 245.382 3.847 20 0 BHADRN CC(C)(F)CCNC(=O)C1CCCCCCC1 ZINC000855745577 588846928 /nfs/dbraw/zinc/84/69/28/588846928.db2.gz WERZIVDPRHKWCK-UHFFFAOYSA-N 0 0 243.366 3.601 20 0 BHADRN CCCCC[C@@H](CC)C(=O)NCCC(C)(C)F ZINC000855746161 588847018 /nfs/dbraw/zinc/84/70/18/588847018.db2.gz TWONASZPBSKFDU-GFCCVEGCSA-N 0 0 245.382 3.847 20 0 BHADRN CCCCC[C@H](CC)C(=O)NCCC(C)(C)F ZINC000855746162 588846905 /nfs/dbraw/zinc/84/69/05/588846905.db2.gz TWONASZPBSKFDU-LBPRGKRZSA-N 0 0 245.382 3.847 20 0 BHADRN CCCC(=CC(=O)NCCC(C)(C)F)CCC ZINC000855746320 588846834 /nfs/dbraw/zinc/84/68/34/588846834.db2.gz ZKZVYVZCUIIRTK-UHFFFAOYSA-N 0 0 243.366 3.767 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000855772752 588847507 /nfs/dbraw/zinc/84/75/07/588847507.db2.gz BHKZIYCEXWSTEB-LOGCYIPHSA-N 0 0 249.398 3.531 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000855772755 588847515 /nfs/dbraw/zinc/84/75/15/588847515.db2.gz BHKZIYCEXWSTEB-ZDCYIQFNSA-N 0 0 249.398 3.531 20 0 BHADRN CCCCCCC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000855775850 588847647 /nfs/dbraw/zinc/84/76/47/588847647.db2.gz NEEVILUSPYXVNH-MELADBBJSA-N 0 0 237.387 3.509 20 0 BHADRN CCCCCCC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000855775851 588847644 /nfs/dbraw/zinc/84/76/44/588847644.db2.gz NEEVILUSPYXVNH-RDBSUJKOSA-N 0 0 237.387 3.509 20 0 BHADRN CC(C(=O)NCCCC1CCC1)=C1CCCC1 ZINC000855802451 588849035 /nfs/dbraw/zinc/84/90/35/588849035.db2.gz UPLPRORHKDGTIL-UHFFFAOYSA-N 0 0 235.371 3.573 20 0 BHADRN CCCCCCC(=O)NCC[C@]1(C)CC1(F)F ZINC000855804963 588849237 /nfs/dbraw/zinc/84/92/37/588849237.db2.gz UYUCAZPEXCYVCS-GFCCVEGCSA-N 0 0 247.329 3.508 20 0 BHADRN CCCCCCC(=O)NCC[C@@]1(C)CC1(F)F ZINC000855804964 588849348 /nfs/dbraw/zinc/84/93/48/588849348.db2.gz UYUCAZPEXCYVCS-LBPRGKRZSA-N 0 0 247.329 3.508 20 0 BHADRN 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/nfs/dbraw/zinc/87/43/71/588874371.db2.gz DGJWTWJLISWJTK-UHFFFAOYSA-N 0 0 247.382 3.524 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CC2CC1(C)C2 ZINC000856510671 588874327 /nfs/dbraw/zinc/87/43/27/588874327.db2.gz DJLKXLDVZHMCGJ-DNOWBOINSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CC2CC1(C)C2 ZINC000856510672 588874457 /nfs/dbraw/zinc/87/44/57/588874457.db2.gz DJLKXLDVZHMCGJ-OPFPJEHXSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CC2CC1(C)C2 ZINC000856510712 588874385 /nfs/dbraw/zinc/87/43/85/588874385.db2.gz GPZUICDGRXGFTL-JVWICGRDSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CC2CC1(C)C2 ZINC000856510713 588874388 /nfs/dbraw/zinc/87/43/88/588874388.db2.gz GPZUICDGRXGFTL-OWYJLGKBSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)CCCCCC(=O)N1CC2CC1(C)C2 ZINC000856510765 588874330 /nfs/dbraw/zinc/87/43/30/588874330.db2.gz IOYFQLJPCIOGQL-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC(=CC(=O)N1CC2CC1(C)C2)CCC ZINC000856510895 588874465 /nfs/dbraw/zinc/87/44/65/588874465.db2.gz MBAGVVGDTYHGRT-UHFFFAOYSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)(C(=O)N1CC2CC1(C)C2)C1CCCCC1 ZINC000856511020 588874428 /nfs/dbraw/zinc/87/44/28/588874428.db2.gz NBLNKOIKUFKLNO-UHFFFAOYSA-N 0 0 249.398 3.604 20 0 BHADRN CC12CC(C1)CN2C(=O)/C=C/C1CCCCCC1 ZINC000856514027 588874651 /nfs/dbraw/zinc/87/46/51/588874651.db2.gz XBMHXANILUZUND-CMDGGOBGSA-N 0 0 247.382 3.524 20 0 BHADRN CC12CC(C1)CN2C(=O)/C=C\C1CCCCCC1 ZINC000856514028 588874639 /nfs/dbraw/zinc/87/46/39/588874639.db2.gz XBMHXANILUZUND-HJWRWDBZSA-N 0 0 247.382 3.524 20 0 BHADRN CCC/C=C\C(=O)N(CCC)Cc1ccccc1 ZINC000856528666 588874656 /nfs/dbraw/zinc/87/46/56/588874656.db2.gz DRKGDXUXNCMAAY-GHXNOFRVSA-N 0 0 245.366 3.782 20 0 BHADRN CCC/C=C/C(=O)N(CCC)Cc1ccccc1 ZINC000856528667 588874524 /nfs/dbraw/zinc/87/45/24/588874524.db2.gz DRKGDXUXNCMAAY-KPKJPENVSA-N 0 0 245.366 3.782 20 0 BHADRN C/C(=C/C(=O)N1CCCCCC1)c1cccs1 ZINC000856722439 588875149 /nfs/dbraw/zinc/87/51/49/588875149.db2.gz RPAXLEPNQGEIAK-QXMHVHEDSA-N 0 0 249.379 3.554 20 0 BHADRN C/C(=C\C(=O)N1CCCCCC1)c1cccs1 ZINC000856722441 588875212 /nfs/dbraw/zinc/87/52/12/588875212.db2.gz RPAXLEPNQGEIAK-VAWYXSNFSA-N 0 0 249.379 3.554 20 0 BHADRN C/C(=C/C(=O)NC1CCCCC1)c1cccs1 ZINC000856723080 588875244 /nfs/dbraw/zinc/87/52/44/588875244.db2.gz HBGIJPXGLURUPJ-KHPPLWFESA-N 0 0 249.379 3.600 20 0 BHADRN C/C(=C\C(=O)NC1CCCCC1)c1cccs1 ZINC000856723082 588875259 /nfs/dbraw/zinc/87/52/59/588875259.db2.gz HBGIJPXGLURUPJ-ZHACJKMWSA-N 0 0 249.379 3.600 20 0 BHADRN C/C(=C\C(=O)N1CCCC[C@H]1C)c1cccs1 ZINC000856728858 588875321 /nfs/dbraw/zinc/87/53/21/588875321.db2.gz KMDJASRIVNPTMK-HCRIHEDKSA-N 0 0 249.379 3.552 20 0 BHADRN C/C(=C\C(=O)N1CCCC[C@@H]1C)c1cccs1 ZINC000856728859 588875299 /nfs/dbraw/zinc/87/52/99/588875299.db2.gz KMDJASRIVNPTMK-IIANPFDCSA-N 0 0 249.379 3.552 20 0 BHADRN C/C(=C/C(=O)N1CCCC[C@H]1C)c1cccs1 ZINC000856728860 588875482 /nfs/dbraw/zinc/87/54/82/588875482.db2.gz KMDJASRIVNPTMK-NLYDNYMLSA-N 0 0 249.379 3.552 20 0 BHADRN C/C(=C/C(=O)N1CCCC[C@@H]1C)c1cccs1 ZINC000856728861 588875609 /nfs/dbraw/zinc/87/56/09/588875609.db2.gz KMDJASRIVNPTMK-WEHUKYGOSA-N 0 0 249.379 3.552 20 0 BHADRN Cc1cc(CN(c2ccccc2)C2CC2)ccn1 ZINC000856745593 588875714 /nfs/dbraw/zinc/87/57/14/588875714.db2.gz JERZKLUIXXQBRO-UHFFFAOYSA-N 0 0 238.334 3.559 20 0 BHADRN C/C(=C/C(=O)N(C)C1CCCC1)c1cccs1 ZINC000856751140 588876021 /nfs/dbraw/zinc/87/60/21/588876021.db2.gz MLTFXOYDIPWCCF-KHPPLWFESA-N 0 0 249.379 3.552 20 0 BHADRN C/C(=C\C(=O)N(C)C1CCCC1)c1cccs1 ZINC000856751141 588876110 /nfs/dbraw/zinc/87/61/10/588876110.db2.gz MLTFXOYDIPWCCF-ZHACJKMWSA-N 0 0 249.379 3.552 20 0 BHADRN Cc1ccc(Cl)c(NCC[C@@H]2CC2(F)F)n1 ZINC000856779486 588877574 /nfs/dbraw/zinc/87/75/74/588877574.db2.gz XOTCVEXAMDNMET-MRVPVSSYSA-N 0 0 246.688 3.501 20 0 BHADRN Cc1ccc(Cl)c(NCC[C@H]2CC2(F)F)n1 ZINC000856779487 588877330 /nfs/dbraw/zinc/87/73/30/588877330.db2.gz XOTCVEXAMDNMET-QMMMGPOBSA-N 0 0 246.688 3.501 20 0 BHADRN FC(F)[C@H](NC/C=C\Cl)C1CCCCC1 ZINC000856825228 588879158 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CCC(C)(C)[C@H](C)NC(=O)C(C)(C)C(C)(F)F ZINC000857641164 645635683 /nfs/dbraw/zinc/63/56/83/645635683.db2.gz IMMVABQGBBRUIG-VIFPVBQESA-N 0 0 249.345 3.609 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1nc(C)ccc1CC ZINC000857641272 645634557 /nfs/dbraw/zinc/63/45/57/645634557.db2.gz KBLQWOMWCVWJFE-BENRWUELSA-N 0 0 246.354 3.637 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1nc(C)ccc1CC ZINC000857641274 645635618 /nfs/dbraw/zinc/63/56/18/645635618.db2.gz KBLQWOMWCVWJFE-ZRDIBKRKSA-N 0 0 246.354 3.637 20 0 BHADRN CC/C(C)=C\C(=O)Nc1nccc(C)c1C1CC1 ZINC000857646499 645637840 /nfs/dbraw/zinc/63/78/40/645637840.db2.gz CYYFFXNAECWPDL-KTKRTIGZSA-N 0 0 244.338 3.562 20 0 BHADRN CC/C(C)=C/C(=O)Nc1nccc(C)c1C1CC1 ZINC000857646501 645636861 /nfs/dbraw/zinc/63/68/61/645636861.db2.gz CYYFFXNAECWPDL-MDZDMXLPSA-N 0 0 244.338 3.562 20 0 BHADRN CC(C)=C(C)C(=O)Nc1nccc(C)c1C1CC1 ZINC000857647073 645636703 /nfs/dbraw/zinc/63/67/03/645636703.db2.gz YVGNCJVVNGVKTF-UHFFFAOYSA-N 0 0 244.338 3.562 20 0 BHADRN CC/C(C)=C(/C)C(=O)O[C@H](C)c1cccnc1C ZINC000857666525 645642697 /nfs/dbraw/zinc/64/26/97/645642697.db2.gz VPWITWNNHMQBBX-BSYHEUMXSA-N 0 0 247.338 3.741 20 0 BHADRN CC/C(C)=C(\C)C(=O)O[C@@H](C)c1cccnc1C ZINC000857666526 645643139 /nfs/dbraw/zinc/64/31/39/645643139.db2.gz VPWITWNNHMQBBX-NHAQELONSA-N 0 0 247.338 3.741 20 0 BHADRN CC/C(C)=C(\C)C(=O)O[C@H](C)c1cccnc1C ZINC000857666527 645642418 /nfs/dbraw/zinc/64/24/18/645642418.db2.gz VPWITWNNHMQBBX-OCHBPSSRSA-N 0 0 247.338 3.741 20 0 BHADRN CC/C(C)=C(/C)C(=O)O[C@@H](C)c1cccnc1C ZINC000857666528 645643002 /nfs/dbraw/zinc/64/30/02/645643002.db2.gz VPWITWNNHMQBBX-OEYXZAGESA-N 0 0 247.338 3.741 20 0 BHADRN CC(C)N(C(=O)[C@@H]1CC1(C)C)c1cccc(F)c1 ZINC000857672764 645642937 /nfs/dbraw/zinc/64/29/37/645642937.db2.gz DXTHKDUODCISDM-ZDUSSCGKSA-N 0 0 249.329 3.613 20 0 BHADRN CCCCCCC(=O)N(C)c1ccccc1C ZINC000857703068 645653759 /nfs/dbraw/zinc/65/37/59/645653759.db2.gz FLCAYZYYDGJXSH-UHFFFAOYSA-N 0 0 233.355 3.928 20 0 BHADRN Cc1ccccc1N(C)C(=O)C1(F)CCCCC1 ZINC000857703281 645654226 /nfs/dbraw/zinc/65/42/26/645654226.db2.gz JJSBYXGNBAHNHQ-UHFFFAOYSA-N 0 0 249.329 3.630 20 0 BHADRN CCCCC(=O)Oc1c(C)ccc(C)c1C ZINC000857705824 645657408 /nfs/dbraw/zinc/65/74/08/645657408.db2.gz LPNYYNGLOWZQID-UHFFFAOYSA-N 0 0 220.312 3.707 20 0 BHADRN CCC(CC)C(=O)Oc1c(C)ccc(C)c1C ZINC000857705849 645657957 /nfs/dbraw/zinc/65/79/57/645657957.db2.gz IEVWZMUUZQIMMK-UHFFFAOYSA-N 0 0 234.339 3.953 20 0 BHADRN Cc1ccc(C)c(OC(=O)CCC(C)C)c1C ZINC000857705932 645656669 /nfs/dbraw/zinc/65/66/69/645656669.db2.gz RGJKNUUADUEVTF-UHFFFAOYSA-N 0 0 234.339 3.953 20 0 BHADRN Cc1ccc(C(=O)Oc2c(C)ccc(C)c2C)o1 ZINC000857705960 645656370 /nfs/dbraw/zinc/65/63/70/645656370.db2.gz USBBVNJFPXKJOE-UHFFFAOYSA-N 0 0 244.290 3.732 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1c(C)ccc(C)c1C ZINC000857706175 645657925 /nfs/dbraw/zinc/65/79/25/645657925.db2.gz ULZQCBJXYYANSS-GFCCVEGCSA-N 0 0 234.339 3.953 20 0 BHADRN CCC[C@H](C)C(=O)Oc1c(C)ccc(C)c1C ZINC000857706176 645657298 /nfs/dbraw/zinc/65/72/98/645657298.db2.gz ULZQCBJXYYANSS-LBPRGKRZSA-N 0 0 234.339 3.953 20 0 BHADRN CCCCCOc1ccc(OC(=O)C2CC2)cc1 ZINC000857757385 588909936 /nfs/dbraw/zinc/90/99/36/588909936.db2.gz FWGAHXVIFHRXBW-UHFFFAOYSA-N 0 0 248.322 3.571 20 0 BHADRN CCCCCOc1ccc(OC(=O)CC)cc1 ZINC000857758239 588909970 /nfs/dbraw/zinc/90/99/70/588909970.db2.gz ZZYHIYDCZQTCHS-UHFFFAOYSA-N 0 0 236.311 3.571 20 0 BHADRN FC(F)(Cl)CCSCc1ccco1 ZINC000857761042 588910033 /nfs/dbraw/zinc/91/00/33/588910033.db2.gz NPKHOYJDYLGREV-UHFFFAOYSA-N 0 0 226.675 3.735 20 0 BHADRN CCSCCSCCCc1cccnc1 ZINC000857761113 588910003 /nfs/dbraw/zinc/91/00/03/588910003.db2.gz VOASMZRLAICTSN-UHFFFAOYSA-N 0 0 241.425 3.501 20 0 BHADRN CCc1ccc(OC(=O)[C@@H]2CC=CCC2)cc1 ZINC000857827915 588911351 /nfs/dbraw/zinc/91/13/51/588911351.db2.gz CEIKTMBTFABGMV-CYBMUJFWSA-N 0 0 230.307 3.511 20 0 BHADRN CCc1ccc(OC(=O)[C@H]2CC=CCC2)cc1 ZINC000857827916 588911411 /nfs/dbraw/zinc/91/14/11/588911411.db2.gz CEIKTMBTFABGMV-ZDUSSCGKSA-N 0 0 230.307 3.511 20 0 BHADRN CCc1ccc(OC(=O)c2ccc(C)s2)cc1 ZINC000857827993 588911238 /nfs/dbraw/zinc/91/12/38/588911238.db2.gz IJEHOSOVBRYODJ-UHFFFAOYSA-N 0 0 246.331 3.838 20 0 BHADRN CCc1ccc(OC(=O)C2CCCCC2)cc1 ZINC000857828032 588911527 /nfs/dbraw/zinc/91/15/27/588911527.db2.gz LMIQYNOVYDISMP-UHFFFAOYSA-N 0 0 232.323 3.735 20 0 BHADRN CCc1ccc(OC(=O)CC2CCCC2)cc1 ZINC000857828226 588911286 /nfs/dbraw/zinc/91/12/86/588911286.db2.gz VWMXJAFZDUCJOI-UHFFFAOYSA-N 0 0 232.323 3.735 20 0 BHADRN CC1(C)COc2cc(-c3cncc(F)c3)ccc21 ZINC000857832098 588911444 /nfs/dbraw/zinc/91/14/44/588911444.db2.gz KRWFIVIFDYPVMF-UHFFFAOYSA-N 0 0 243.281 3.558 20 0 BHADRN Oc1ccccc1-c1cccc(N2CCCC2)c1 ZINC000857832429 588911423 /nfs/dbraw/zinc/91/14/23/588911423.db2.gz AIQJVGZOHPUQMX-UHFFFAOYSA-N 0 0 239.318 3.659 20 0 BHADRN CC(C)c1nn(C)cc1-c1cccc2cc[nH]c21 ZINC000857832497 588911512 /nfs/dbraw/zinc/91/15/12/588911512.db2.gz DZBKKFCCMRSQGG-UHFFFAOYSA-N 0 0 239.322 3.692 20 0 BHADRN Cc1cc(-c2ncccc2N2CCCCC2)co1 ZINC000857832597 588911349 /nfs/dbraw/zinc/91/13/49/588911349.db2.gz AZZDUGBLKKNFLD-UHFFFAOYSA-N 0 0 242.322 3.640 20 0 BHADRN CC(C)(C)Oc1ccc(-c2ccccc2O)cn1 ZINC000857832944 588911448 /nfs/dbraw/zinc/91/14/48/588911448.db2.gz JZTGZIKJQATCRU-UHFFFAOYSA-N 0 0 243.306 3.632 20 0 BHADRN CC(C)OCc1ccc(-c2ccccc2O)cc1 ZINC000857833080 588911552 /nfs/dbraw/zinc/91/15/52/588911552.db2.gz LQQPSBKJCDUEQK-UHFFFAOYSA-N 0 0 242.318 3.984 20 0 BHADRN Oc1ccccc1-c1ccc([C@H](O)C2CC2)cc1 ZINC000857833096 588911508 /nfs/dbraw/zinc/91/15/08/588911508.db2.gz MJZPXVTUCBOKRZ-INIZCTEOSA-N 0 0 240.302 3.503 20 0 BHADRN Oc1ccccc1-c1ccc([C@@H](O)C2CC2)cc1 ZINC000857833097 588911394 /nfs/dbraw/zinc/91/13/94/588911394.db2.gz MJZPXVTUCBOKRZ-MRXNPFEDSA-N 0 0 240.302 3.503 20 0 BHADRN Cc1ccc(F)cc1-c1cnc2c(c1)CCCO2 ZINC000857833655 588911655 /nfs/dbraw/zinc/91/16/55/588911655.db2.gz WZVNWAKHFXPXBM-UHFFFAOYSA-N 0 0 243.281 3.521 20 0 BHADRN COc1cc(C)ccc1-c1cc(C)cc(C)c1N ZINC000857833735 588911982 /nfs/dbraw/zinc/91/19/82/588911982.db2.gz AAMTUWVKGULPEF-UHFFFAOYSA-N 0 0 241.334 3.870 20 0 BHADRN FCc1cccc(-c2ccc3c(c2)CCOC3)c1 ZINC000857833744 588912130 /nfs/dbraw/zinc/91/21/30/588912130.db2.gz AESHQQSDVWOXAR-UHFFFAOYSA-N 0 0 242.293 3.896 20 0 BHADRN COc1cc(C)ccc1-c1cccc([C@H](C)O)c1 ZINC000857833783 588911625 /nfs/dbraw/zinc/91/16/25/588911625.db2.gz BSLSDFDRNBHDKJ-LBPRGKRZSA-N 0 0 242.318 3.724 20 0 BHADRN COc1cc(C)ccc1-c1ccc([C@@H](C)O)cc1 ZINC000857834051 588911867 /nfs/dbraw/zinc/91/18/67/588911867.db2.gz MESDBKVBRZSHOQ-GFCCVEGCSA-N 0 0 242.318 3.724 20 0 BHADRN COc1cc(C)ccc1-c1ccc([C@H](C)O)cc1 ZINC000857834052 588911815 /nfs/dbraw/zinc/91/18/15/588911815.db2.gz MESDBKVBRZSHOQ-LBPRGKRZSA-N 0 0 242.318 3.724 20 0 BHADRN C[C@H]1CCC[C@@H](CCN2Cc3ccncc3C2)C1 ZINC000857876693 588918883 /nfs/dbraw/zinc/91/88/83/588918883.db2.gz SJORTDWXQTYXSI-KBPBESRZSA-N 0 0 244.382 3.614 20 0 BHADRN C[C@@H]1CCC[C@@H](CCN2Cc3ccncc3C2)C1 ZINC000857876704 588918575 /nfs/dbraw/zinc/91/85/75/588918575.db2.gz SJORTDWXQTYXSI-KGLIPLIRSA-N 0 0 244.382 3.614 20 0 BHADRN C[C@H]1CCC[C@H](CCN2Cc3ccncc3C2)C1 ZINC000857876705 588918765 /nfs/dbraw/zinc/91/87/65/588918765.db2.gz SJORTDWXQTYXSI-UONOGXRCSA-N 0 0 244.382 3.614 20 0 BHADRN C[C@@H]1CCC[C@H](CCN2Cc3ccncc3C2)C1 ZINC000857876706 588918697 /nfs/dbraw/zinc/91/86/97/588918697.db2.gz SJORTDWXQTYXSI-ZIAGYGMSSA-N 0 0 244.382 3.614 20 0 BHADRN c1cc2c(cn1)CN(CCC1CCCCCC1)C2 ZINC000857881089 588920023 /nfs/dbraw/zinc/92/00/23/588920023.db2.gz BKDYOUPYYCYFKB-UHFFFAOYSA-N 0 0 244.382 3.758 20 0 BHADRN CCC[C@@H](C)CCCN1Cc2ccncc2C1 ZINC000857881427 588920007 /nfs/dbraw/zinc/92/00/07/588920007.db2.gz VELYWXGSGIUFPV-CYBMUJFWSA-N 0 0 232.371 3.614 20 0 BHADRN CCC[C@H](C)CCCN1Cc2ccncc2C1 ZINC000857881429 588920155 /nfs/dbraw/zinc/92/01/55/588920155.db2.gz VELYWXGSGIUFPV-ZDUSSCGKSA-N 0 0 232.371 3.614 20 0 BHADRN O=C(Nc1ccc2ccccc2c1)C12CC(C1)C2 ZINC000858098516 588932974 /nfs/dbraw/zinc/93/29/74/588932974.db2.gz OKWCHEHOGHEICV-UHFFFAOYSA-N 0 0 237.302 3.578 20 0 BHADRN CC(C)c1cccc(NCc2ccnc(F)c2)c1 ZINC000858101241 588933334 /nfs/dbraw/zinc/93/33/34/588933334.db2.gz FOXDGVRPLITWHO-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN CC(C)c1ccc(NCc2ccnc(F)c2)cc1 ZINC000858101366 588933047 /nfs/dbraw/zinc/93/30/47/588933047.db2.gz MQBJHHIQKNFQPV-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN CCCc1ccccc1NCc1ccnc(F)c1 ZINC000858101573 588933264 /nfs/dbraw/zinc/93/32/64/588933264.db2.gz BWRQYBRHXKPGON-UHFFFAOYSA-N 0 0 244.313 3.785 20 0 BHADRN CCC(CC)NC(=O)CCCCCCSC ZINC000858116401 645670555 /nfs/dbraw/zinc/67/05/55/645670555.db2.gz SFAOUXIWWAYSOM-UHFFFAOYSA-N 0 0 245.432 3.605 20 0 BHADRN CC(C)c1ccccc1NCc1ccnc(F)c1 ZINC000858150530 588935591 /nfs/dbraw/zinc/93/55/91/588935591.db2.gz AHVFHIHXQPCJLJ-UHFFFAOYSA-N 0 0 244.313 3.956 20 0 BHADRN Fc1cc(CNc2ccc(C3CC3)cc2)ccn1 ZINC000858156325 588936074 /nfs/dbraw/zinc/93/60/74/588936074.db2.gz MSOGUBFCXDXGQE-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN Cc1ccc(OC(=O)C[C@@H](C)c2ccco2)cc1 ZINC000858186695 588937644 /nfs/dbraw/zinc/93/76/44/588937644.db2.gz JGPGCUYDUSOBFF-GFCCVEGCSA-N 0 0 244.290 3.687 20 0 BHADRN Cc1ccc(OC(=O)C[C@H](C)c2ccco2)cc1 ZINC000858186697 588937874 /nfs/dbraw/zinc/93/78/74/588937874.db2.gz JGPGCUYDUSOBFF-LBPRGKRZSA-N 0 0 244.290 3.687 20 0 BHADRN O=C(Oc1cccc2ccccc21)C12CC(C1)C2 ZINC000858188479 588938315 /nfs/dbraw/zinc/93/83/15/588938315.db2.gz UMUQCSIEVWKXBD-UHFFFAOYSA-N 0 0 238.286 3.545 20 0 BHADRN O=C(Oc1ccc2ccccc2c1)C12CC(C1)C2 ZINC000858189670 588938128 /nfs/dbraw/zinc/93/81/28/588938128.db2.gz VEUPWBVFWBDYNX-UHFFFAOYSA-N 0 0 238.286 3.545 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2cn(C)cn2)c1 ZINC000858213163 588938881 /nfs/dbraw/zinc/93/88/81/588938881.db2.gz HBBZPYOXOIIOEO-GFCCVEGCSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@H](C)c1cccc(NCc2cn(C)cn2)c1 ZINC000858213164 588938948 /nfs/dbraw/zinc/93/89/48/588938948.db2.gz HBBZPYOXOIIOEO-LBPRGKRZSA-N 0 0 243.354 3.546 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2cncnc2)c1 ZINC000858213870 588939015 /nfs/dbraw/zinc/93/90/15/588939015.db2.gz FMBSHXFFGXBBKN-GFCCVEGCSA-N 0 0 241.338 3.602 20 0 BHADRN CC[C@H](C)c1cccc(NCc2cncnc2)c1 ZINC000858213871 588939014 /nfs/dbraw/zinc/93/90/14/588939014.db2.gz FMBSHXFFGXBBKN-LBPRGKRZSA-N 0 0 241.338 3.602 20 0 BHADRN COc1cccc(NCc2cc(C)oc2C)c1C ZINC000858240803 588940274 /nfs/dbraw/zinc/94/02/74/588940274.db2.gz FJWNCISQIZUYBY-UHFFFAOYSA-N 0 0 245.322 3.826 20 0 BHADRN CCC[C@H](C)CNc1ccc2c(c1)COC(=O)N2 ZINC000858243139 588940263 /nfs/dbraw/zinc/94/02/63/588940263.db2.gz ANKOSFGHCNHFOG-JTQLQIEISA-N 0 0 248.326 3.597 20 0 BHADRN CCC[C@@H](C)CNc1ccc2c(c1)COC(=O)N2 ZINC000858243140 588940222 /nfs/dbraw/zinc/94/02/22/588940222.db2.gz ANKOSFGHCNHFOG-SNVBAGLBSA-N 0 0 248.326 3.597 20 0 BHADRN CCC(CC)CNc1ccc2c(c1)COC(=O)N2 ZINC000858243619 588940567 /nfs/dbraw/zinc/94/05/67/588940567.db2.gz KVJIYDBTTPYKKG-UHFFFAOYSA-N 0 0 248.326 3.597 20 0 BHADRN CC(C)C[C@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000858244098 588940360 /nfs/dbraw/zinc/94/03/60/588940360.db2.gz UDHURIGWEZNDNB-JTQLQIEISA-N 0 0 248.326 3.595 20 0 BHADRN CC(C)C[C@@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000858244099 588940484 /nfs/dbraw/zinc/94/04/84/588940484.db2.gz UDHURIGWEZNDNB-SNVBAGLBSA-N 0 0 248.326 3.595 20 0 BHADRN CC(C)CCCNc1ccc2c(c1)COC(=O)N2 ZINC000858244397 588940329 /nfs/dbraw/zinc/94/03/29/588940329.db2.gz XFOFTOWVGBTLKL-UHFFFAOYSA-N 0 0 248.326 3.597 20 0 BHADRN CCC[C@@H](C)NC(=O)CCCCCCSC ZINC000858264578 588941407 /nfs/dbraw/zinc/94/14/07/588941407.db2.gz BIDMXJWFRMRAMD-GFCCVEGCSA-N 0 0 245.432 3.605 20 0 BHADRN CCC[C@H](C)NC(=O)CCCCCCSC ZINC000858264579 588941475 /nfs/dbraw/zinc/94/14/75/588941475.db2.gz BIDMXJWFRMRAMD-LBPRGKRZSA-N 0 0 245.432 3.605 20 0 BHADRN CCCCCCNC(=O)c1coc(C(F)F)c1 ZINC000858264985 588941566 /nfs/dbraw/zinc/94/15/66/588941566.db2.gz PMJQYTSGAJVGLE-UHFFFAOYSA-N 0 0 245.269 3.527 20 0 BHADRN CCCCCCNC(=O)c1ccc(C(F)F)o1 ZINC000858265479 588941454 /nfs/dbraw/zinc/94/14/54/588941454.db2.gz WZTCXIBFJXGZLT-UHFFFAOYSA-N 0 0 245.269 3.527 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)c1cocc1C ZINC000858267434 588941621 /nfs/dbraw/zinc/94/16/21/588941621.db2.gz CHQKLPJNQWTXBZ-GFCCVEGCSA-N 0 0 237.343 3.677 20 0 BHADRN CCCCCC[C@H](C)NC(=O)c1cocc1C ZINC000858267435 588941535 /nfs/dbraw/zinc/94/15/35/588941535.db2.gz CHQKLPJNQWTXBZ-LBPRGKRZSA-N 0 0 237.343 3.677 20 0 BHADRN COc1ccc(NCC2CC2)c2ccccc12 ZINC000858277228 588941990 /nfs/dbraw/zinc/94/19/90/588941990.db2.gz BVLSUZFEVCOIMU-UHFFFAOYSA-N 0 0 227.307 3.670 20 0 BHADRN CCC(C)(C)NC(=O)CCCCCCSC ZINC000858281543 588940210 /nfs/dbraw/zinc/94/02/10/588940210.db2.gz TVQZGOCCKXTFBA-UHFFFAOYSA-N 0 0 245.432 3.605 20 0 BHADRN CCCCN(C)C(=O)CCCCCCSC ZINC000858284985 588942008 /nfs/dbraw/zinc/94/20/08/588942008.db2.gz GEKBHDFXODGTRS-UHFFFAOYSA-N 0 0 245.432 3.558 20 0 BHADRN CCCOc1ccc(NCc2ccco2)cc1C ZINC000858308902 588944011 /nfs/dbraw/zinc/94/40/11/588944011.db2.gz UTBSEZTVAFUPSB-UHFFFAOYSA-N 0 0 245.322 3.989 20 0 BHADRN CCCOc1ccc(NCc2ccco2)cc1F ZINC000858309492 588943931 /nfs/dbraw/zinc/94/39/31/588943931.db2.gz BTEGQUWYYQTEGP-UHFFFAOYSA-N 0 0 249.285 3.820 20 0 BHADRN CCCOc1ccc(NCc2ccoc2)cc1C ZINC000858309548 588943221 /nfs/dbraw/zinc/94/32/21/588943221.db2.gz RGAGCLIPQXELKE-UHFFFAOYSA-N 0 0 245.322 3.989 20 0 BHADRN CCCOc1ccc(NCc2cc[nH]c2)cc1C ZINC000858309775 588944070 /nfs/dbraw/zinc/94/40/70/588944070.db2.gz XVGBEGSKOBKZPM-UHFFFAOYSA-N 0 0 244.338 3.724 20 0 BHADRN CCCOc1ccc(NCc2ccoc2)cc1F ZINC000858310069 588943598 /nfs/dbraw/zinc/94/35/98/588943598.db2.gz CAGOYKILZVWHSL-UHFFFAOYSA-N 0 0 249.285 3.820 20 0 BHADRN CCCOc1ccc(NCC2(F)CC2)cc1F ZINC000858310206 588943710 /nfs/dbraw/zinc/94/37/10/588943710.db2.gz GODVYDRYMRSSFN-UHFFFAOYSA-N 0 0 241.281 3.529 20 0 BHADRN CCC(CC)Nc1nc(C(F)F)cs1 ZINC000858310430 588943896 /nfs/dbraw/zinc/94/38/96/588943896.db2.gz KJPOSRCQUILOEH-UHFFFAOYSA-N 0 0 220.288 3.681 20 0 BHADRN CCCOc1ccc(NCc2cc[nH]c2)cc1F ZINC000858310814 588943650 /nfs/dbraw/zinc/94/36/50/588943650.db2.gz XSXIZEHNTIEIGC-UHFFFAOYSA-N 0 0 248.301 3.555 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@H]1CCCC12CC2 ZINC000858315661 588944310 /nfs/dbraw/zinc/94/43/10/588944310.db2.gz VGQSIXWXTPDCLL-CHWSQXEVSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC[C@@H](C)NC(=O)[C@@H]1CCCC12CC2 ZINC000858315662 588944464 /nfs/dbraw/zinc/94/44/64/588944464.db2.gz VGQSIXWXTPDCLL-OLZOCXBDSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@H]1CCCC12CC2 ZINC000858315663 588944515 /nfs/dbraw/zinc/94/45/15/588944515.db2.gz VGQSIXWXTPDCLL-QWHCGFSZSA-N 0 0 237.387 3.652 20 0 BHADRN CCCCC[C@H](C)NC(=O)[C@@H]1CCCC12CC2 ZINC000858315664 582458850 /nfs/dbraw/zinc/45/88/50/582458850.db2.gz VGQSIXWXTPDCLL-STQMWFEESA-N 0 0 237.387 3.652 20 0 BHADRN CC(C)CCCCCCNC(=O)C12CC(C1)C2 ZINC000858316346 588944477 /nfs/dbraw/zinc/94/44/77/588944477.db2.gz SYZJGNNKQXFYOI-UHFFFAOYSA-N 0 0 237.387 3.509 20 0 BHADRN CCCN(C)c1ccccc1NCc1ccoc1 ZINC000858316586 588944266 /nfs/dbraw/zinc/94/42/66/588944266.db2.gz YUAJOKNFUFSFLW-UHFFFAOYSA-N 0 0 244.338 3.738 20 0 BHADRN CCC[C@@H](Nc1nccnc1F)c1ccccc1 ZINC000858320511 588945044 /nfs/dbraw/zinc/94/50/44/588945044.db2.gz DNOXZPISVQECRK-GFCCVEGCSA-N 0 0 245.301 3.569 20 0 BHADRN CCC[C@H](Nc1nccnc1F)c1ccccc1 ZINC000858320512 588945116 /nfs/dbraw/zinc/94/51/16/588945116.db2.gz DNOXZPISVQECRK-LBPRGKRZSA-N 0 0 245.301 3.569 20 0 BHADRN CCCOc1ccc(NC2CCCC2)cc1OC ZINC000858341282 588947007 /nfs/dbraw/zinc/94/70/07/588947007.db2.gz DWXSUXWCTYDVQS-UHFFFAOYSA-N 0 0 249.354 3.839 20 0 BHADRN CCCOc1ccc(NCC(C)C)cc1OC ZINC000858341566 588947559 /nfs/dbraw/zinc/94/75/59/588947559.db2.gz IQEGPSXDPVSAOP-UHFFFAOYSA-N 0 0 237.343 3.552 20 0 BHADRN CCCOc1ccc(NCC2(C)CC2)cc1OC ZINC000858343453 588947602 /nfs/dbraw/zinc/94/76/02/588947602.db2.gz BSIAQQZAORRWAS-UHFFFAOYSA-N 0 0 249.354 3.696 20 0 BHADRN CCCOc1ccc(N[C@H](C)C2CC2)cc1OC ZINC000858343930 588947554 /nfs/dbraw/zinc/94/75/54/588947554.db2.gz MTTPOQMNHUWSRD-LLVKDONJSA-N 0 0 249.354 3.694 20 0 BHADRN CCCOc1ccc(N[C@@H](C)C2CC2)cc1OC ZINC000858343931 588947603 /nfs/dbraw/zinc/94/76/03/588947603.db2.gz MTTPOQMNHUWSRD-NSHDSACASA-N 0 0 249.354 3.694 20 0 BHADRN Clc1csc(NC[C@@H]2CC=CCC2)n1 ZINC000858364066 588948643 /nfs/dbraw/zinc/94/86/43/588948643.db2.gz AOEISEXLCALKSM-MRVPVSSYSA-N 0 0 228.748 3.565 20 0 BHADRN Clc1csc(NC[C@H]2CC=CCC2)n1 ZINC000858364079 588948834 /nfs/dbraw/zinc/94/88/34/588948834.db2.gz AOEISEXLCALKSM-QMMMGPOBSA-N 0 0 228.748 3.565 20 0 BHADRN CCC[C@@H](C)CCC[C@@H](C)[NH2+]Cc1ccon1 ZINC000858369229 588949174 /nfs/dbraw/zinc/94/91/74/588949174.db2.gz HODQVDBGJXBBBC-CHWSQXEVSA-N 0 0 238.375 3.759 20 0 BHADRN CCC[C@@H](C)CCC[C@H](C)[NH2+]Cc1ccon1 ZINC000858369230 588949220 /nfs/dbraw/zinc/94/92/20/588949220.db2.gz HODQVDBGJXBBBC-OLZOCXBDSA-N 0 0 238.375 3.759 20 0 BHADRN CCC[C@H](C)CCC[C@@H](C)[NH2+]Cc1ccon1 ZINC000858369231 588949233 /nfs/dbraw/zinc/94/92/33/588949233.db2.gz HODQVDBGJXBBBC-QWHCGFSZSA-N 0 0 238.375 3.759 20 0 BHADRN CCC[C@H](C)CCC[C@H](C)[NH2+]Cc1ccon1 ZINC000858369232 588949396 /nfs/dbraw/zinc/94/93/96/588949396.db2.gz HODQVDBGJXBBBC-STQMWFEESA-N 0 0 238.375 3.759 20 0 BHADRN CC(C)c1cccc([C@@H](C)NCc2ccon2)c1 ZINC000858370551 588949414 /nfs/dbraw/zinc/94/94/14/588949414.db2.gz VDUHNNVILONUOY-GFCCVEGCSA-N 0 0 244.338 3.649 20 0 BHADRN CC(C)c1cccc([C@H](C)NCc2ccon2)c1 ZINC000858370552 588949172 /nfs/dbraw/zinc/94/91/72/588949172.db2.gz VDUHNNVILONUOY-LBPRGKRZSA-N 0 0 244.338 3.649 20 0 BHADRN CCCN(CC)C(=O)CCCCCCSC ZINC000858386350 588950162 /nfs/dbraw/zinc/95/01/62/588950162.db2.gz KDFUHOWWBABQNI-UHFFFAOYSA-N 0 0 245.432 3.558 20 0 BHADRN C=COc1ccc(N[C@H](C)[C@@H]2CCCCO2)cc1 ZINC000858426965 588953794 /nfs/dbraw/zinc/95/37/94/588953794.db2.gz VPZRFXVWJGFPPI-DOMZBBRYSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@H](C)[C@H]2CCCCO2)cc1 ZINC000858426966 588953778 /nfs/dbraw/zinc/95/37/78/588953778.db2.gz VPZRFXVWJGFPPI-IUODEOHRSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@@H](C)[C@H]2CCCCO2)cc1 ZINC000858426967 588953990 /nfs/dbraw/zinc/95/39/90/588953990.db2.gz VPZRFXVWJGFPPI-SWLSCSKDSA-N 0 0 247.338 3.578 20 0 BHADRN C=COc1ccc(N[C@@H](C)[C@@H]2CCCCO2)cc1 ZINC000858426968 588953651 /nfs/dbraw/zinc/95/36/51/588953651.db2.gz VPZRFXVWJGFPPI-WFASDCNBSA-N 0 0 247.338 3.578 20 0 BHADRN Fc1cccc2nc(NC34CCC(CC3)C4)oc21 ZINC000858479778 588959196 /nfs/dbraw/zinc/95/91/96/588959196.db2.gz BWSKLEIVUKYEID-UHFFFAOYSA-N 0 0 246.285 3.712 20 0 BHADRN Clc1csc(NC23CCC(CC2)C3)n1 ZINC000858480473 588959088 /nfs/dbraw/zinc/95/90/88/588959088.db2.gz UZFSAKOBWZDMKG-UHFFFAOYSA-N 0 0 228.748 3.541 20 0 BHADRN Clc1csc(N2CC3(C2)CCCCC3)n1 ZINC000858483398 588959601 /nfs/dbraw/zinc/95/96/01/588959601.db2.gz KUELHQOAPBORIP-UHFFFAOYSA-N 0 0 242.775 3.567 20 0 BHADRN CCSCCSc1nc(Cl)cs1 ZINC000858483458 588959772 /nfs/dbraw/zinc/95/97/72/588959772.db2.gz NBRPYTAOIVLRCL-UHFFFAOYSA-N 0 0 239.818 3.642 20 0 BHADRN CCCCCC[C@@H](C)Nc1cnn(CCF)c1 ZINC000858491860 588960435 /nfs/dbraw/zinc/96/04/35/588960435.db2.gz POYAZLUMEVSAEY-GFCCVEGCSA-N 0 0 241.354 3.623 20 0 BHADRN CCCCCC[C@H](C)Nc1cnn(CCF)c1 ZINC000858491861 588960479 /nfs/dbraw/zinc/96/04/79/588960479.db2.gz POYAZLUMEVSAEY-LBPRGKRZSA-N 0 0 241.354 3.623 20 0 BHADRN CCC(F)(F)CN[C@H](C)CSC(C)(C)C ZINC000858509577 582462300 /nfs/dbraw/zinc/46/23/00/582462300.db2.gz XPRVZBDKZCFKSC-SECBINFHSA-N 0 0 239.375 3.542 20 0 BHADRN CCC(F)(F)CN[C@@H](C)CSC(C)(C)C ZINC000858509578 582462306 /nfs/dbraw/zinc/46/23/06/582462306.db2.gz XPRVZBDKZCFKSC-VIFPVBQESA-N 0 0 239.375 3.542 20 0 BHADRN CCC(CC)(CC)Sc1nccnc1F ZINC000858515567 588961785 /nfs/dbraw/zinc/96/17/85/588961785.db2.gz OQVWJFZGYRFZSK-UHFFFAOYSA-N 0 0 228.336 3.677 20 0 BHADRN C[C@@H]1CC2(CCC2)CN1c1nc(Cl)cs1 ZINC000858516227 588962054 /nfs/dbraw/zinc/96/20/54/588962054.db2.gz ZAMSCWVTHNGAPR-MRVPVSSYSA-N 0 0 242.775 3.565 20 0 BHADRN C[C@H]1CC2(CCC2)CN1c1nc(Cl)cs1 ZINC000858516228 588962298 /nfs/dbraw/zinc/96/22/98/588962298.db2.gz ZAMSCWVTHNGAPR-QMMMGPOBSA-N 0 0 242.775 3.565 20 0 BHADRN COc1ccc(NC(C)C)c2ccccc12 ZINC000858523277 588962583 /nfs/dbraw/zinc/96/25/83/588962583.db2.gz QNZREMOWWYWHQH-UHFFFAOYSA-N 0 0 215.296 3.669 20 0 BHADRN FC(F)(F)CCSc1nc(Cl)cs1 ZINC000858524099 588962675 /nfs/dbraw/zinc/96/26/75/588962675.db2.gz DWRAZOXJKHCEMI-UHFFFAOYSA-N 0 0 247.694 3.841 20 0 BHADRN C[C@H]1CC[C@H]1Nc1cccc(C2CCOCC2)c1 ZINC000858524524 588962901 /nfs/dbraw/zinc/96/29/01/588962901.db2.gz OLWRTTAZQPBSSF-BLLLJJGKSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@H]1CC[C@@H]1Nc1cccc(C2CCOCC2)c1 ZINC000858524526 588962940 /nfs/dbraw/zinc/96/29/40/588962940.db2.gz OLWRTTAZQPBSSF-LRDDRELGSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H]1CC[C@H]1Nc1cccc(C2CCOCC2)c1 ZINC000858524528 588962578 /nfs/dbraw/zinc/96/25/78/588962578.db2.gz OLWRTTAZQPBSSF-MLGOLLRUSA-N 0 0 245.366 3.791 20 0 BHADRN C[C@@H]1CC[C@@H]1Nc1cccc(C2CCOCC2)c1 ZINC000858524529 588962938 /nfs/dbraw/zinc/96/29/38/588962938.db2.gz OLWRTTAZQPBSSF-WBMJQRKESA-N 0 0 245.366 3.791 20 0 BHADRN C[C@]1(F)CCCN(c2nccc3ccccc32)C1 ZINC000858555914 588965207 /nfs/dbraw/zinc/96/52/07/588965207.db2.gz BRSXBSNWJZOWSE-HNNXBMFYSA-N 0 0 244.313 3.563 20 0 BHADRN C[C@@]1(F)CCCN(c2nccc3ccccc32)C1 ZINC000858555918 588965151 /nfs/dbraw/zinc/96/51/51/588965151.db2.gz BRSXBSNWJZOWSE-OAHLLOKOSA-N 0 0 244.313 3.563 20 0 BHADRN FC1CCC(CNc2nc(Cl)cs2)CC1 ZINC000858602293 588970786 /nfs/dbraw/zinc/97/07/86/588970786.db2.gz VYDVITFRQIIYFT-UHFFFAOYSA-N 0 0 248.754 3.737 20 0 BHADRN CCCOc1ccc(N[C@H]2CC[C@@H]2C)cc1OC ZINC000858604789 588970605 /nfs/dbraw/zinc/97/06/05/588970605.db2.gz OJSFUXKQNSMTRE-AAEUAGOBSA-N 0 0 249.354 3.694 20 0 BHADRN CCCOc1ccc(N[C@@H]2CC[C@H]2C)cc1OC ZINC000858604791 588970657 /nfs/dbraw/zinc/97/06/57/588970657.db2.gz OJSFUXKQNSMTRE-DGCLKSJQSA-N 0 0 249.354 3.694 20 0 BHADRN CCCOc1ccc(N[C@@H]2CC[C@@H]2C)cc1OC ZINC000858604794 588970453 /nfs/dbraw/zinc/97/04/53/588970453.db2.gz OJSFUXKQNSMTRE-WCQYABFASA-N 0 0 249.354 3.694 20 0 BHADRN CCCOc1ccc(N[C@H]2CC[C@H]2C)cc1OC ZINC000858604796 588970690 /nfs/dbraw/zinc/97/06/90/588970690.db2.gz OJSFUXKQNSMTRE-YPMHNXCESA-N 0 0 249.354 3.694 20 0 BHADRN CCCOc1ccc(NC2CC(C)C2)cc1OC ZINC000858605972 588970832 /nfs/dbraw/zinc/97/08/32/588970832.db2.gz YGZIUIQFMVFNHM-UHFFFAOYSA-N 0 0 249.354 3.694 20 0 BHADRN CSCCCCCCc1nc(C(C)C)no1 ZINC000858648351 582468745 /nfs/dbraw/zinc/46/87/45/582468745.db2.gz AAXJAJHIIUEXEO-UHFFFAOYSA-N 0 0 242.388 3.659 20 0 BHADRN CCc1noc([C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000858651396 588973303 /nfs/dbraw/zinc/97/33/03/588973303.db2.gz LIWJHSLTKXSYHX-CHWSQXEVSA-N 0 0 242.322 3.683 20 0 BHADRN CCN(C(=O)CCCCCCSC)C(C)C ZINC000858667311 588973498 /nfs/dbraw/zinc/97/34/98/588973498.db2.gz VDUSBNPYSCYABM-UHFFFAOYSA-N 0 0 245.432 3.557 20 0 BHADRN CCC[C@@H](C)c1noc(C[C@@H](C)c2ccco2)n1 ZINC000858680945 588973939 /nfs/dbraw/zinc/97/39/39/588973939.db2.gz BZNGDPLKWNFLMN-GHMZBOCLSA-N 0 0 248.326 3.912 20 0 BHADRN CCC[C@@H](C)c1noc(C[C@H](C)c2ccco2)n1 ZINC000858680947 588973932 /nfs/dbraw/zinc/97/39/32/588973932.db2.gz BZNGDPLKWNFLMN-MNOVXSKESA-N 0 0 248.326 3.912 20 0 BHADRN CCC[C@H](C)c1noc(C[C@H](C)c2ccco2)n1 ZINC000858680949 588973894 /nfs/dbraw/zinc/97/38/94/588973894.db2.gz BZNGDPLKWNFLMN-QWRGUYRKSA-N 0 0 248.326 3.912 20 0 BHADRN CCC[C@H](C)c1noc(C[C@@H](C)c2ccco2)n1 ZINC000858680950 588973948 /nfs/dbraw/zinc/97/39/48/588973948.db2.gz BZNGDPLKWNFLMN-WDEREUQCSA-N 0 0 248.326 3.912 20 0 BHADRN CCC[C@@H](C)c1noc(-c2conc2C(C)C)n1 ZINC000858681084 588973952 /nfs/dbraw/zinc/97/39/52/588973952.db2.gz DNHMOISBVLFLQI-SECBINFHSA-N 0 0 249.314 3.752 20 0 BHADRN CCC[C@H](C)c1noc(-c2conc2C(C)C)n1 ZINC000858681085 588973978 /nfs/dbraw/zinc/97/39/78/588973978.db2.gz DNHMOISBVLFLQI-VIFPVBQESA-N 0 0 249.314 3.752 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cocc2C)n1 ZINC000858681808 588974197 /nfs/dbraw/zinc/97/41/97/588974197.db2.gz MQTTUGHMFAXCNK-MRVPVSSYSA-N 0 0 220.272 3.542 20 0 BHADRN CCC[C@H](C)c1noc(-c2cocc2C)n1 ZINC000858681809 588973914 /nfs/dbraw/zinc/97/39/14/588973914.db2.gz MQTTUGHMFAXCNK-QMMMGPOBSA-N 0 0 220.272 3.542 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H](CCC)OCC)n1 ZINC000858682831 588974314 /nfs/dbraw/zinc/97/43/14/588974314.db2.gz YEAXSTPOHQBVAK-GHMZBOCLSA-N 0 0 240.347 3.851 20 0 BHADRN CCC[C@@H](C)c1noc([C@H](CCC)OCC)n1 ZINC000858682834 588974562 /nfs/dbraw/zinc/97/45/62/588974562.db2.gz YEAXSTPOHQBVAK-MNOVXSKESA-N 0 0 240.347 3.851 20 0 BHADRN CCC[C@H](C)c1noc([C@H](CCC)OCC)n1 ZINC000858682837 588974256 /nfs/dbraw/zinc/97/42/56/588974256.db2.gz YEAXSTPOHQBVAK-QWRGUYRKSA-N 0 0 240.347 3.851 20 0 BHADRN CCC[C@@H](OCC)c1nc([C@@H](C)CCC)no1 ZINC000858682838 588974369 /nfs/dbraw/zinc/97/43/69/588974369.db2.gz YEAXSTPOHQBVAK-WDEREUQCSA-N 0 0 240.347 3.851 20 0 BHADRN CS/C=C\c1nc(C2C(C)(C)C2(C)C)no1 ZINC000858845727 588978682 /nfs/dbraw/zinc/97/86/82/588978682.db2.gz OWFUGSMAOMGSRF-SREVYHEPSA-N 0 0 238.356 3.553 20 0 BHADRN CS/C=C/c1nc(C2C(C)(C)C2(C)C)no1 ZINC000858845728 588978535 /nfs/dbraw/zinc/97/85/35/588978535.db2.gz OWFUGSMAOMGSRF-VOTSOKGWSA-N 0 0 238.356 3.553 20 0 BHADRN CC(Cl)(Cl)c1nc(C2(C)CCCC2)no1 ZINC000858853982 588978886 /nfs/dbraw/zinc/97/88/86/588978886.db2.gz ICQFCEGUFQRKTG-UHFFFAOYSA-N 0 0 249.141 3.552 20 0 BHADRN CC(C)[C@@H](F)c1nc(C2(C)CCCC2)no1 ZINC000858856307 588979467 /nfs/dbraw/zinc/97/94/67/588979467.db2.gz ZGCUCYPOKYFVLJ-SECBINFHSA-N 0 0 226.295 3.568 20 0 BHADRN CC(C)[C@H](F)c1nc(C2(C)CCCC2)no1 ZINC000858856308 588979426 /nfs/dbraw/zinc/97/94/26/588979426.db2.gz ZGCUCYPOKYFVLJ-VIFPVBQESA-N 0 0 226.295 3.568 20 0 BHADRN CC(C)CCOC(=O)Oc1ccccc1Cl ZINC000858873302 588980646 /nfs/dbraw/zinc/98/06/46/588980646.db2.gz SKCKQUBBIPIEDD-UHFFFAOYSA-N 0 0 242.702 3.902 20 0 BHADRN Cc1ccccc1OC(=O)OCCC(C)C ZINC000858873741 588980559 /nfs/dbraw/zinc/98/05/59/588980559.db2.gz BVGUFRWANKLPQE-UHFFFAOYSA-N 0 0 222.284 3.557 20 0 BHADRN Cc1ccc(OC(=O)OCCC(C)C)cc1 ZINC000858874668 588980763 /nfs/dbraw/zinc/98/07/63/588980763.db2.gz UBDMQAGOPCOSCE-UHFFFAOYSA-N 0 0 222.284 3.557 20 0 BHADRN CCCOC(=O)Oc1ccc(Cl)cc1Cl ZINC000858874728 588980441 /nfs/dbraw/zinc/98/04/41/588980441.db2.gz 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/nfs/dbraw/zinc/15/40/84/589154084.db2.gz KYVONIAQSVAGHR-GFCCVEGCSA-N 0 0 242.384 3.562 20 0 BHADRN CSCCCC(=O)O[C@H]1CCC=CCCC1 ZINC000861230691 589154111 /nfs/dbraw/zinc/15/41/11/589154111.db2.gz KYVONIAQSVAGHR-LBPRGKRZSA-N 0 0 242.384 3.562 20 0 BHADRN CC1(C)CCCC[C@H]1OC(=O)CCC(F)F ZINC000861296450 589157835 /nfs/dbraw/zinc/15/78/35/589157835.db2.gz DQGWRKBIODRLSR-SECBINFHSA-N 0 0 234.286 3.544 20 0 BHADRN CC1(C)CCCC[C@@H]1OC(=O)CCC(F)F ZINC000861296451 589157931 /nfs/dbraw/zinc/15/79/31/589157931.db2.gz DQGWRKBIODRLSR-VIFPVBQESA-N 0 0 234.286 3.544 20 0 BHADRN CC1(C)CCCC[C@@H]1OC(=O)C1CC(F)(F)C1 ZINC000861297380 589158319 /nfs/dbraw/zinc/15/83/19/589158319.db2.gz NUINHKVMIUJTSP-JTQLQIEISA-N 0 0 246.297 3.544 20 0 BHADRN CC1(C)CCCC[C@H]1OC(=O)C1CC(F)(F)C1 ZINC000861297381 589158589 /nfs/dbraw/zinc/15/85/89/589158589.db2.gz NUINHKVMIUJTSP-SNVBAGLBSA-N 0 0 246.297 3.544 20 0 BHADRN Cc1ccc(C(=O)O[C@@H]2CCCCC2(C)C)nc1 ZINC000861298088 589158591 /nfs/dbraw/zinc/15/85/91/589158591.db2.gz ZNCOYZQGKRUFDZ-CYBMUJFWSA-N 0 0 247.338 3.516 20 0 BHADRN Cc1ccc(C(=O)O[C@H]2CCCCC2(C)C)nc1 ZINC000861298089 589158363 /nfs/dbraw/zinc/15/83/63/589158363.db2.gz ZNCOYZQGKRUFDZ-ZDUSSCGKSA-N 0 0 247.338 3.516 20 0 BHADRN Cc1cccnc1C(=O)O[C@@H]1CCCCC1(C)C ZINC000861298108 589158391 /nfs/dbraw/zinc/15/83/91/589158391.db2.gz ZXPQPFPTMWAVST-GFCCVEGCSA-N 0 0 247.338 3.516 20 0 BHADRN Cc1cccnc1C(=O)O[C@H]1CCCCC1(C)C ZINC000861298109 589158370 /nfs/dbraw/zinc/15/83/70/589158370.db2.gz ZXPQPFPTMWAVST-LBPRGKRZSA-N 0 0 247.338 3.516 20 0 BHADRN Cc1cccc(C(=O)O[C@@H]2CCCCC2(C)C)n1 ZINC000861298622 589158501 /nfs/dbraw/zinc/15/85/01/589158501.db2.gz IWMPQKBKWMPHTL-CYBMUJFWSA-N 0 0 247.338 3.516 20 0 BHADRN Cc1cccc(C(=O)O[C@H]2CCCCC2(C)C)n1 ZINC000861298623 589158311 /nfs/dbraw/zinc/15/83/11/589158311.db2.gz IWMPQKBKWMPHTL-ZDUSSCGKSA-N 0 0 247.338 3.516 20 0 BHADRN CC(F)(F)CCC(=O)O[C@H]1CCCCC1(C)C ZINC000861298976 589158621 /nfs/dbraw/zinc/15/86/21/589158621.db2.gz LTSJBSTXITYAKY-JTQLQIEISA-N 0 0 248.313 3.934 20 0 BHADRN CC(F)(F)CCC(=O)O[C@@H]1CCCCC1(C)C ZINC000861298992 589158322 /nfs/dbraw/zinc/15/83/22/589158322.db2.gz LTSJBSTXITYAKY-SNVBAGLBSA-N 0 0 248.313 3.934 20 0 BHADRN CSCCCCCCC(=O)N(C)C(C)(C)C ZINC000862115060 589192003 /nfs/dbraw/zinc/19/20/03/589192003.db2.gz RYBQMZRWKVTRNT-UHFFFAOYSA-N 0 0 245.432 3.557 20 0 BHADRN Cc1nc(C[N@@H+](C)C2CCCCCCC2)[nH]c1C ZINC000862237169 589196415 /nfs/dbraw/zinc/19/64/15/589196415.db2.gz JDHOSVMTVFMNOT-UHFFFAOYSA-N 0 0 249.402 3.571 20 0 BHADRN Cc1ncc(C[N@@H+](C)C2CCCCCCC2)o1 ZINC000862237189 589196043 /nfs/dbraw/zinc/19/60/43/589196043.db2.gz JNCAOFZLMDRGHN-UHFFFAOYSA-N 0 0 236.359 3.528 20 0 BHADRN CC1(C)CCN1Cc1ccsc1C(F)(F)F ZINC000862245996 589197165 /nfs/dbraw/zinc/19/71/65/589197165.db2.gz FITMXFZQNVZQMO-UHFFFAOYSA-N 0 0 249.301 3.751 20 0 BHADRN CC1(C)CCN1Cc1csc(C(F)(F)F)c1 ZINC000862246061 589196824 /nfs/dbraw/zinc/19/68/24/589196824.db2.gz HSNUCHPDWOKMQI-UHFFFAOYSA-N 0 0 249.301 3.751 20 0 BHADRN CCc1ccc(NCc2ccnc(F)c2C)cc1 ZINC000862252013 589197657 /nfs/dbraw/zinc/19/76/57/589197657.db2.gz BXMLOLPCBGPRGS-UHFFFAOYSA-N 0 0 244.313 3.704 20 0 BHADRN Cc1ccc(NCc2ccnc(F)c2C)cc1C ZINC000862252340 589197759 /nfs/dbraw/zinc/19/77/59/589197759.db2.gz FBQBWQXNUVLWOH-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN Cc1cccc(NCc2ccnc(F)c2C)c1C ZINC000862252621 589197686 /nfs/dbraw/zinc/19/76/86/589197686.db2.gz FXGHWYANIBQWES-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN CCc1ccccc1NCc1ccnc(F)c1C ZINC000862252965 589197372 /nfs/dbraw/zinc/19/73/72/589197372.db2.gz JBJOBIIIGVPODS-UHFFFAOYSA-N 0 0 244.313 3.704 20 0 BHADRN Cc1cc(C)cc(NCc2ccnc(F)c2C)c1 ZINC000862253218 589197773 /nfs/dbraw/zinc/19/77/73/589197773.db2.gz MNKNRDGWBREYAX-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN CCc1cccc(NCc2ccnc(F)c2C)c1 ZINC000862253987 589197414 /nfs/dbraw/zinc/19/74/14/589197414.db2.gz WRMISIQTVJZVRX-UHFFFAOYSA-N 0 0 244.313 3.704 20 0 BHADRN Cc1ccc(N[C@@H](C)C2CC(F)(F)C2)cc1 ZINC000862254957 589197418 /nfs/dbraw/zinc/19/74/18/589197418.db2.gz IKUISFYOEHWDAG-JTQLQIEISA-N 0 0 225.282 3.841 20 0 BHADRN Cc1ccc(N[C@H](C)C2CC(F)(F)C2)cc1 ZINC000862254961 589197713 /nfs/dbraw/zinc/19/77/13/589197713.db2.gz IKUISFYOEHWDAG-SNVBAGLBSA-N 0 0 225.282 3.841 20 0 BHADRN Cc1ccc(NCc2ccnc(F)c2C)c(C)c1 ZINC000862256169 589197400 /nfs/dbraw/zinc/19/74/00/589197400.db2.gz LVYYRXZOXAXNDR-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN Cc1ccc(C)c(NCc2ccnc(F)c2C)c1 ZINC000862258804 589197395 /nfs/dbraw/zinc/19/73/95/589197395.db2.gz RSGADPNTTARBDR-UHFFFAOYSA-N 0 0 244.313 3.758 20 0 BHADRN C[C@@H](Nc1ccc(Cl)nc1)C1CC(F)(F)C1 ZINC000862299497 589200582 /nfs/dbraw/zinc/20/05/82/589200582.db2.gz COPZEAMGUIKEAB-SSDOTTSWSA-N 0 0 246.688 3.581 20 0 BHADRN C[C@H](Nc1ccc(Cl)nc1)C1CC(F)(F)C1 ZINC000862299499 589200725 /nfs/dbraw/zinc/20/07/25/589200725.db2.gz COPZEAMGUIKEAB-ZETCQYMHSA-N 0 0 246.688 3.581 20 0 BHADRN CCN(Cc1ccnc(F)c1C)c1ccccc1 ZINC000862304191 589200536 /nfs/dbraw/zinc/20/05/36/589200536.db2.gz KMQSANWMHZPFKY-UHFFFAOYSA-N 0 0 244.313 3.556 20 0 BHADRN Cc1ncc(CN(C)c2ccc(C(C)C)cc2)o1 ZINC000862306088 589200642 /nfs/dbraw/zinc/20/06/42/589200642.db2.gz CFDZCGNUKARCMA-UHFFFAOYSA-N 0 0 244.338 3.743 20 0 BHADRN C[C@@]1(CNc2cc(C3CC3)ccn2)CCCS1 ZINC000862369297 589205163 /nfs/dbraw/zinc/20/51/63/589205163.db2.gz BJWGZKCSQWSOPI-AWEZNQCLSA-N 0 0 248.395 3.657 20 0 BHADRN C[C@]1(CNc2cc(C3CC3)ccn2)CCCS1 ZINC000862369315 589204998 /nfs/dbraw/zinc/20/49/98/589204998.db2.gz BJWGZKCSQWSOPI-CQSZACIVSA-N 0 0 248.395 3.657 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000862375181 589205526 /nfs/dbraw/zinc/20/55/26/589205526.db2.gz YIWNSSQGOOBJOB-ORRCCTETSA-N 0 0 249.398 3.531 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000862375182 589205654 /nfs/dbraw/zinc/20/56/54/589205654.db2.gz YIWNSSQGOOBJOB-VVWFOINXSA-N 0 0 249.398 3.531 20 0 BHADRN C[C@@]1(CNc2cccc(C3CC3)n2)CCCS1 ZINC000862376813 589205869 /nfs/dbraw/zinc/20/58/69/589205869.db2.gz LURWFLNQOFAWDW-AWEZNQCLSA-N 0 0 248.395 3.657 20 0 BHADRN C[C@]1(CNc2cccc(C3CC3)n2)CCCS1 ZINC000862376814 589205848 /nfs/dbraw/zinc/20/58/48/589205848.db2.gz LURWFLNQOFAWDW-CQSZACIVSA-N 0 0 248.395 3.657 20 0 BHADRN CCCCCCC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000862376881 589205859 /nfs/dbraw/zinc/20/58/59/589205859.db2.gz AKFOLBMKERJODM-HZSPNIEDSA-N 0 0 237.387 3.509 20 0 BHADRN CCCCCCC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000862376882 589205996 /nfs/dbraw/zinc/20/59/96/589205996.db2.gz AKFOLBMKERJODM-MCIONIFRSA-N 0 0 237.387 3.509 20 0 BHADRN C[C@H](CC(C)(C)C)n1cnc2c1CCCC2 ZINC000862431568 589212216 /nfs/dbraw/zinc/21/22/16/589212216.db2.gz KLQIWNHOTKKFKO-LLVKDONJSA-N 0 0 220.360 3.759 20 0 BHADRN C[C@@H](CC(C)(C)C)n1cnc2c1CCCC2 ZINC000862431569 589212385 /nfs/dbraw/zinc/21/23/85/589212385.db2.gz KLQIWNHOTKKFKO-NSHDSACASA-N 0 0 220.360 3.759 20 0 BHADRN CC[C@@H](Nc1ccc2c(c1)COC(=O)N2)C(C)C ZINC000862480297 589217180 /nfs/dbraw/zinc/21/71/80/589217180.db2.gz BVHPXSRONSCECH-GFCCVEGCSA-N 0 0 248.326 3.595 20 0 BHADRN CC[C@H](Nc1ccc2c(c1)COC(=O)N2)C(C)C ZINC000862480299 589217062 /nfs/dbraw/zinc/21/70/62/589217062.db2.gz BVHPXSRONSCECH-LBPRGKRZSA-N 0 0 248.326 3.595 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000862481260 589217041 /nfs/dbraw/zinc/21/70/41/589217041.db2.gz DXEVIIOJWHHRFB-NXEZZACHSA-N 0 0 248.326 3.595 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000862481261 589217071 /nfs/dbraw/zinc/21/70/71/589217071.db2.gz DXEVIIOJWHHRFB-UWVGGRQHSA-N 0 0 248.326 3.595 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000862481262 589217185 /nfs/dbraw/zinc/21/71/85/589217185.db2.gz DXEVIIOJWHHRFB-VHSXEESVSA-N 0 0 248.326 3.595 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000862481263 589216914 /nfs/dbraw/zinc/21/69/14/589216914.db2.gz DXEVIIOJWHHRFB-ZJUUUORDSA-N 0 0 248.326 3.595 20 0 BHADRN CCCC[C@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000862482675 589217094 /nfs/dbraw/zinc/21/70/94/589217094.db2.gz WZRAZASHAOKWQG-JTQLQIEISA-N 0 0 248.326 3.739 20 0 BHADRN CCCC[C@@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000862482678 589217090 /nfs/dbraw/zinc/21/70/90/589217090.db2.gz WZRAZASHAOKWQG-SNVBAGLBSA-N 0 0 248.326 3.739 20 0 BHADRN CC(C)(C)CCNc1ccc2c(c1)COC(=O)N2 ZINC000862482850 589216965 /nfs/dbraw/zinc/21/69/65/589216965.db2.gz YKEAVKSNRWKATK-UHFFFAOYSA-N 0 0 248.326 3.597 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)C[C@H](C)OC)c1 ZINC000862487384 589217380 /nfs/dbraw/zinc/21/73/80/589217380.db2.gz QDSAVQSIPTXMQK-NEPJUHHUSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)C[C@@H](C)OC)c1 ZINC000862487385 589217394 /nfs/dbraw/zinc/21/73/94/589217394.db2.gz QDSAVQSIPTXMQK-NWDGAFQWSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)C[C@H](C)OC)c1 ZINC000862487386 589217488 /nfs/dbraw/zinc/21/74/88/589217488.db2.gz QDSAVQSIPTXMQK-RYUDHWBXSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)C[C@@H](C)OC)c1 ZINC000862487387 589217461 /nfs/dbraw/zinc/21/74/61/589217461.db2.gz QDSAVQSIPTXMQK-VXGBXAGGSA-N 0 0 249.354 3.564 20 0 BHADRN CC[C@H](C)c1cccc(NC(=O)C2(F)CC2)c1 ZINC000862487600 589217476 /nfs/dbraw/zinc/21/74/76/589217476.db2.gz TUBMGHSRZFUTDO-JTQLQIEISA-N 0 0 235.302 3.641 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=O)C2(F)CC2)c1 ZINC000862487601 589217553 /nfs/dbraw/zinc/21/75/53/589217553.db2.gz TUBMGHSRZFUTDO-SNVBAGLBSA-N 0 0 235.302 3.641 20 0 BHADRN CCO/C=C/C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000862488108 589217436 /nfs/dbraw/zinc/21/74/36/589217436.db2.gz ZSVWLPDFRZULIY-BZYZDCJZSA-N 0 0 247.338 3.689 20 0 BHADRN CCO/C=C\C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000862488110 589217525 /nfs/dbraw/zinc/21/75/25/589217525.db2.gz ZSVWLPDFRZULIY-PRDAAYKISA-N 0 0 247.338 3.689 20 0 BHADRN CCO/C=C/C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000862488111 589217451 /nfs/dbraw/zinc/21/74/51/589217451.db2.gz ZSVWLPDFRZULIY-VMPCVLLUSA-N 0 0 247.338 3.689 20 0 BHADRN CCO/C=C\C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000862488113 589217527 /nfs/dbraw/zinc/21/75/27/589217527.db2.gz ZSVWLPDFRZULIY-ZWLSGLHFSA-N 0 0 247.338 3.689 20 0 BHADRN C/C=C\C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000862488347 589217349 /nfs/dbraw/zinc/21/73/49/589217349.db2.gz IEKMFVSSKSXGEA-IBHLPDHGSA-N 0 0 217.312 3.715 20 0 BHADRN C/C=C\C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000862488348 589217352 /nfs/dbraw/zinc/21/73/52/589217352.db2.gz IEKMFVSSKSXGEA-MEQVVJDKSA-N 0 0 217.312 3.715 20 0 BHADRN C/C=C/C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000862488349 589217414 /nfs/dbraw/zinc/21/74/14/589217414.db2.gz IEKMFVSSKSXGEA-TZOMUSMUSA-N 0 0 217.312 3.715 20 0 BHADRN C/C=C/C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000862488350 589217417 /nfs/dbraw/zinc/21/74/17/589217417.db2.gz IEKMFVSSKSXGEA-ZPMKCOPCSA-N 0 0 217.312 3.715 20 0 BHADRN CCc1cc(Cl)cnc1NCc1ccoc1 ZINC000862533780 589218201 /nfs/dbraw/zinc/21/82/01/589218201.db2.gz LSJMMZPLXYLYTQ-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN CCc1cc(Cl)cnc1NCc1ccco1 ZINC000862533840 589218128 /nfs/dbraw/zinc/21/81/28/589218128.db2.gz NWKUOFIRXCHNFX-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN CCCOc1ccc(NC[C@@H]2C[C@H]2C)cc1OC ZINC000862551873 589220847 /nfs/dbraw/zinc/22/08/47/589220847.db2.gz ULYFMPUKUATFGT-NEPJUHHUSA-N 0 0 249.354 3.552 20 0 BHADRN CCCOc1ccc(NC[C@H]2C[C@@H]2C)cc1OC ZINC000862551874 589220660 /nfs/dbraw/zinc/22/06/60/589220660.db2.gz ULYFMPUKUATFGT-NWDGAFQWSA-N 0 0 249.354 3.552 20 0 BHADRN CCCOc1ccc(NC[C@@H]2C[C@@H]2C)cc1OC ZINC000862551875 589220839 /nfs/dbraw/zinc/22/08/39/589220839.db2.gz ULYFMPUKUATFGT-RYUDHWBXSA-N 0 0 249.354 3.552 20 0 BHADRN CCCOc1ccc(NC[C@H]2C[C@H]2C)cc1OC ZINC000862551877 589220832 /nfs/dbraw/zinc/22/08/32/589220832.db2.gz ULYFMPUKUATFGT-VXGBXAGGSA-N 0 0 249.354 3.552 20 0 BHADRN CC(C)C(=O)NCCCCCCc1ccccc1 ZINC000862626633 589228980 /nfs/dbraw/zinc/22/89/80/589228980.db2.gz JBEOZKDQCNWBBN-UHFFFAOYSA-N 0 0 247.382 3.562 20 0 BHADRN CC(C)c1ccccc1C(=O)NCC1CC=CC1 ZINC000862629517 589229376 /nfs/dbraw/zinc/22/93/76/589229376.db2.gz YBQLDJGTOXSPQA-UHFFFAOYSA-N 0 0 243.350 3.506 20 0 BHADRN CC(C)(C(=O)NCC1CC=CC1)C1CCCCC1 ZINC000862630230 589229632 /nfs/dbraw/zinc/22/96/32/589229632.db2.gz GOOFXFNHBCSDEQ-UHFFFAOYSA-N 0 0 249.398 3.675 20 0 BHADRN CCCCCC(C)(C)C(=O)NCC1CC=CC1 ZINC000862630464 589229848 /nfs/dbraw/zinc/22/98/48/589229848.db2.gz JWIQJAYYIQLRKN-UHFFFAOYSA-N 0 0 237.387 3.675 20 0 BHADRN CCC(NC(=O)/C=C\C(C)(C)C)(C1CC1)C1CC1 ZINC000862685342 589232024 /nfs/dbraw/zinc/23/20/24/589232024.db2.gz CMQAKKNHOCNROF-KHPPLWFESA-N 0 0 249.398 3.674 20 0 BHADRN CCC(NC(=O)/C=C/C(C)(C)C)(C1CC1)C1CC1 ZINC000862685343 589232034 /nfs/dbraw/zinc/23/20/34/589232034.db2.gz CMQAKKNHOCNROF-ZHACJKMWSA-N 0 0 249.398 3.674 20 0 BHADRN CC/C(C)=C(/C)C(=O)NC(CC)(C1CC1)C1CC1 ZINC000862686502 589232286 /nfs/dbraw/zinc/23/22/86/589232286.db2.gz RRVORMGAERCCDP-QXMHVHEDSA-N 0 0 249.398 3.818 20 0 BHADRN CC/C(C)=C(\C)C(=O)NC(CC)(C1CC1)C1CC1 ZINC000862686503 589232269 /nfs/dbraw/zinc/23/22/69/589232269.db2.gz RRVORMGAERCCDP-VAWYXSNFSA-N 0 0 249.398 3.818 20 0 BHADRN CCC(NC(=O)C=C1CCCC1)(C1CC1)C1CC1 ZINC000862686942 589232404 /nfs/dbraw/zinc/23/24/04/589232404.db2.gz XJEDDGPJISSOTK-UHFFFAOYSA-N 0 0 247.382 3.572 20 0 BHADRN CCC(NC(=O)C[C@@H](C)C1CC1)(C1CC1)C1CC1 ZINC000862687102 589232368 /nfs/dbraw/zinc/23/23/68/589232368.db2.gz ZUXUBDMDGOCXLW-LLVKDONJSA-N 0 0 249.398 3.508 20 0 BHADRN CCC(NC(=O)C[C@H](C)C1CC1)(C1CC1)C1CC1 ZINC000862687103 589232302 /nfs/dbraw/zinc/23/23/02/589232302.db2.gz ZUXUBDMDGOCXLW-NSHDSACASA-N 0 0 249.398 3.508 20 0 BHADRN CCC(NC(=O)C(C)=C1CCC1)(C1CC1)C1CC1 ZINC000862687492 589232299 /nfs/dbraw/zinc/23/22/99/589232299.db2.gz KTZLPCPXJWHXPX-UHFFFAOYSA-N 0 0 247.382 3.572 20 0 BHADRN CCC(NC(=O)C1CC(C)(C)C1)(C1CC1)C1CC1 ZINC000862687860 589232372 /nfs/dbraw/zinc/23/23/72/589232372.db2.gz OPOZZVFZTIZZDF-UHFFFAOYSA-N 0 0 249.398 3.508 20 0 BHADRN CCCCCCC(=O)N1CCCC(F)(F)CC1 ZINC000862713143 589235603 /nfs/dbraw/zinc/23/56/03/589235603.db2.gz MERPDWQSFVMEPB-UHFFFAOYSA-N 0 0 247.329 3.605 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccc(C(=O)CC)cc1 ZINC000862773497 589240923 /nfs/dbraw/zinc/24/09/23/589240923.db2.gz FRLGKCVNKJVQSK-IZZDOVSWSA-N 0 0 245.322 3.574 20 0 BHADRN CC/C=C(/C)C(=O)Nc1ccc(C(=O)CC)cc1 ZINC000862773498 589240651 /nfs/dbraw/zinc/24/06/51/589240651.db2.gz FRLGKCVNKJVQSK-WDZFZDKYSA-N 0 0 245.322 3.574 20 0 BHADRN COc1cccc(NC(=O)/C=C\C(C)(C)C)c1C ZINC000862773522 589240889 /nfs/dbraw/zinc/24/08/89/589240889.db2.gz GLFSYRGXTCODBW-KTKRTIGZSA-N 0 0 247.338 3.544 20 0 BHADRN COc1cccc(NC(=O)/C=C/C(C)(C)C)c1C ZINC000862773523 589240880 /nfs/dbraw/zinc/24/08/80/589240880.db2.gz GLFSYRGXTCODBW-MDZDMXLPSA-N 0 0 247.338 3.544 20 0 BHADRN CCCCCCC(=O)Nc1cccc(OC)c1C ZINC000862773533 589240747 /nfs/dbraw/zinc/24/07/47/589240747.db2.gz GPXQLDLEPDIPST-UHFFFAOYSA-N 0 0 249.354 3.913 20 0 BHADRN CCC(=O)c1ccc(NC(=O)C(C)=C(C)C)cc1 ZINC000862773593 589240966 /nfs/dbraw/zinc/24/09/66/589240966.db2.gz JJZOQBWFCXJTRK-UHFFFAOYSA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc(OC)c1C ZINC000862774007 589240641 /nfs/dbraw/zinc/24/06/41/589240641.db2.gz SKDBDDZUFPLDKW-KHPPLWFESA-N 0 0 247.338 3.689 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc(OC)c1C ZINC000862774008 589240710 /nfs/dbraw/zinc/24/07/10/589240710.db2.gz SKDBDDZUFPLDKW-ZHACJKMWSA-N 0 0 247.338 3.689 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccc(C(=O)CC)cc1 ZINC000862774990 589241227 /nfs/dbraw/zinc/24/12/27/589241227.db2.gz FETFITZWXWIPEJ-NYYWCZLTSA-N 0 0 245.322 3.574 20 0 BHADRN C/C=C(/CC)C(=O)Nc1ccc(C(=O)CC)cc1 ZINC000862774991 589241107 /nfs/dbraw/zinc/24/11/07/589241107.db2.gz FETFITZWXWIPEJ-WCIBSUBMSA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C=C\C(=O)Nc1ccc(C(=O)CC)cc1 ZINC000862775950 589241237 /nfs/dbraw/zinc/24/12/37/589241237.db2.gz UHTRJEGZIASLCP-SREVYHEPSA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C=C/C(=O)Nc1ccc(C(=O)CC)cc1 ZINC000862775951 589241104 /nfs/dbraw/zinc/24/11/04/589241104.db2.gz UHTRJEGZIASLCP-VOTSOKGWSA-N 0 0 245.322 3.574 20 0 BHADRN CCC(=O)c1ccc(NC(=O)/C=C(/C)CC)cc1 ZINC000862776218 589241147 /nfs/dbraw/zinc/24/11/47/589241147.db2.gz ZKLNYLDIBCRKEW-KHPPLWFESA-N 0 0 245.322 3.574 20 0 BHADRN CCC(=O)c1ccc(NC(=O)/C=C(\C)CC)cc1 ZINC000862776219 589241173 /nfs/dbraw/zinc/24/11/73/589241173.db2.gz ZKLNYLDIBCRKEW-ZHACJKMWSA-N 0 0 245.322 3.574 20 0 BHADRN CCC(=CC(=O)Nc1cccc(OC)c1C)CC ZINC000862776527 589241067 /nfs/dbraw/zinc/24/10/67/589241067.db2.gz GJYKSYUHXKNYQS-UHFFFAOYSA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccc(OC)c1C ZINC000862776830 589241126 /nfs/dbraw/zinc/24/11/26/589241126.db2.gz RIAHMJYXVGGPTA-KHPPLWFESA-N 0 0 247.338 3.689 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccc(OC)c1C ZINC000862776831 589241097 /nfs/dbraw/zinc/24/10/97/589241097.db2.gz RIAHMJYXVGGPTA-ZHACJKMWSA-N 0 0 247.338 3.689 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N(C1CC1)C1CC1 ZINC000862852234 589243653 /nfs/dbraw/zinc/24/36/53/589243653.db2.gz GRMOBSXLLRGZQW-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN CCCCCC[C@H](C)C(=O)N(C1CC1)C1CC1 ZINC000862852235 589243926 /nfs/dbraw/zinc/24/39/26/589243926.db2.gz GRMOBSXLLRGZQW-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N(C1CC1)C1CC1 ZINC000862852631 589244143 /nfs/dbraw/zinc/24/41/43/589244143.db2.gz NMNWNYSSUJVNRT-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN CCCCC[C@H](C)CC(=O)N(C1CC1)C1CC1 ZINC000862852632 589244175 /nfs/dbraw/zinc/24/41/75/589244175.db2.gz NMNWNYSSUJVNRT-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N(C1CC1)C1CC1 ZINC000862852637 589244212 /nfs/dbraw/zinc/24/42/12/589244212.db2.gz NOWPHOAHWGMYNG-GFCCVEGCSA-N 0 0 237.387 3.746 20 0 BHADRN CCCCC[C@H](CC)C(=O)N(C1CC1)C1CC1 ZINC000862852638 589243659 /nfs/dbraw/zinc/24/36/59/589243659.db2.gz NOWPHOAHWGMYNG-LBPRGKRZSA-N 0 0 237.387 3.746 20 0 BHADRN CC(C)CCCCCC(=O)N(C1CC1)C1CC1 ZINC000862852886 589244224 /nfs/dbraw/zinc/24/42/24/589244224.db2.gz SOJSGSXJOAQOBP-UHFFFAOYSA-N 0 0 237.387 3.746 20 0 BHADRN O=C(C1CCCCCCC1)N(C1CC1)C1CC1 ZINC000862853054 589244140 /nfs/dbraw/zinc/24/41/40/589244140.db2.gz XDHPRAARPWJSAH-UHFFFAOYSA-N 0 0 235.371 3.500 20 0 BHADRN CC(C)c1cc(Cl)ccc1NC(=O)C(F)F ZINC000862861804 589244745 /nfs/dbraw/zinc/24/47/45/589244745.db2.gz ATEDLUAOZWHJBB-UHFFFAOYSA-N 0 0 247.672 3.667 20 0 BHADRN C/C=C\C(=O)Nc1ccc(Cl)cc1C(C)C ZINC000862861923 589244624 /nfs/dbraw/zinc/24/46/24/589244624.db2.gz GNFUANLOVMSWQT-PLNGDYQASA-N 0 0 237.730 3.978 20 0 BHADRN C/C=C/C(=O)Nc1ccc(Cl)cc1C(C)C ZINC000862861924 589244577 /nfs/dbraw/zinc/24/45/77/589244577.db2.gz GNFUANLOVMSWQT-SNAWJCMRSA-N 0 0 237.730 3.978 20 0 BHADRN CCCCCC(C)(C)C(=O)NCC(F)(F)CC ZINC000862900194 589246457 /nfs/dbraw/zinc/24/64/57/589246457.db2.gz KHODEIUDBNABEZ-UHFFFAOYSA-N 0 0 249.345 3.754 20 0 BHADRN CCC(F)(F)CNC(=O)C1CCCCCCC1 ZINC000862900685 589246573 /nfs/dbraw/zinc/24/65/73/589246573.db2.gz YGAVFVYXNOQLDW-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CC/C(C)=C/C(=O)NCC(C)(C)C(F)(F)CC ZINC000862944375 589247882 /nfs/dbraw/zinc/24/78/82/589247882.db2.gz LMRQANFUIJFPNF-CSKARUKUSA-N 0 0 247.329 3.530 20 0 BHADRN CC/C(C)=C\C(=O)NCC(C)(C)C(F)(F)CC ZINC000862944376 589247808 /nfs/dbraw/zinc/24/78/08/589247808.db2.gz LMRQANFUIJFPNF-NTMALXAHSA-N 0 0 247.329 3.530 20 0 BHADRN C/C=C(/CC)C(=O)NCC(C)(C)C(F)(F)CC ZINC000862944550 589247909 /nfs/dbraw/zinc/24/79/09/589247909.db2.gz RNRITPXQKZVLEU-POHAHGRESA-N 0 0 247.329 3.530 20 0 BHADRN C/C=C(\CC)C(=O)NCC(C)(C)C(F)(F)CC ZINC000862944551 589247898 /nfs/dbraw/zinc/24/78/98/589247898.db2.gz RNRITPXQKZVLEU-UXBLZVDNSA-N 0 0 247.329 3.530 20 0 BHADRN CCC/C=C/C(=O)NCC(C)(C)C(F)(F)CC ZINC000862944581 589247982 /nfs/dbraw/zinc/24/79/82/589247982.db2.gz SQZWNWJFRKLNGM-CMDGGOBGSA-N 0 0 247.329 3.530 20 0 BHADRN CCC/C=C\C(=O)NCC(C)(C)C(F)(F)CC ZINC000862944582 589247986 /nfs/dbraw/zinc/24/79/86/589247986.db2.gz SQZWNWJFRKLNGM-HJWRWDBZSA-N 0 0 247.329 3.530 20 0 BHADRN CC/C=C(\C)C(=O)NCC(C)(C)C(F)(F)CC ZINC000862945064 589247700 /nfs/dbraw/zinc/24/77/00/589247700.db2.gz JGUCFZYFOPXTSE-CSKARUKUSA-N 0 0 247.329 3.530 20 0 BHADRN CC/C=C(/C)C(=O)NCC(C)(C)C(F)(F)CC ZINC000862945065 589247994 /nfs/dbraw/zinc/24/79/94/589247994.db2.gz JGUCFZYFOPXTSE-NTMALXAHSA-N 0 0 247.329 3.530 20 0 BHADRN CCC(F)(F)C(C)(C)CNC(=O)C(C)=C(C)C ZINC000862945081 589247699 /nfs/dbraw/zinc/24/76/99/589247699.db2.gz JXEVLBHRLQISGT-UHFFFAOYSA-N 0 0 247.329 3.530 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCC[C@H]1CC=CCC1 ZINC000862946657 589247967 /nfs/dbraw/zinc/24/79/67/589247967.db2.gz AVMOUKHQTMCMMY-DINCDJDBSA-N 0 0 235.371 3.595 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCC[C@H]1CC=CCC1 ZINC000862946658 589247973 /nfs/dbraw/zinc/24/79/73/589247973.db2.gz AVMOUKHQTMCMMY-FNDVETGQSA-N 0 0 235.371 3.595 20 0 BHADRN CC/C(C)=C(/C)C(=O)NCC[C@@H]1CC=CCC1 ZINC000862946659 589247989 /nfs/dbraw/zinc/24/79/89/589247989.db2.gz AVMOUKHQTMCMMY-WUFNSSIPSA-N 0 0 235.371 3.595 20 0 BHADRN CC/C(C)=C(\C)C(=O)NCC[C@@H]1CC=CCC1 ZINC000862946660 589247766 /nfs/dbraw/zinc/24/77/66/589247766.db2.gz AVMOUKHQTMCMMY-XTZCOPOCSA-N 0 0 235.371 3.595 20 0 BHADRN CC(C(=O)NCC[C@H]1CC=CCC1)=C1CCCC1 ZINC000862948156 589248132 /nfs/dbraw/zinc/24/81/32/589248132.db2.gz GZHLXBQEKJSLQC-AWEZNQCLSA-N 0 0 247.382 3.740 20 0 BHADRN CC(C(=O)NCC[C@@H]1CC=CCC1)=C1CCCC1 ZINC000862948157 583972313 /nfs/dbraw/zinc/97/23/13/583972313.db2.gz GZHLXBQEKJSLQC-CQSZACIVSA-N 0 0 247.382 3.740 20 0 BHADRN C/C=C\C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000862962551 589249112 /nfs/dbraw/zinc/24/91/12/589249112.db2.gz HWADVGSPPDXPMO-DGPIVGRDSA-N 0 0 243.350 3.563 20 0 BHADRN C/C=C/C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000862962552 589249021 /nfs/dbraw/zinc/24/90/21/589249021.db2.gz HWADVGSPPDXPMO-HYBGQWMJSA-N 0 0 243.350 3.563 20 0 BHADRN C/C(=C\C(=O)Nc1cc(O)ccc1C)C(C)(C)C ZINC000862962987 589249029 /nfs/dbraw/zinc/24/90/29/589249029.db2.gz DEQQWUKWDFTIHK-DHZHZOJOSA-N 0 0 247.338 3.632 20 0 BHADRN C/C(=C/C(=O)Nc1cc(O)ccc1C)C(C)(C)C ZINC000862962988 589249094 /nfs/dbraw/zinc/24/90/94/589249094.db2.gz DEQQWUKWDFTIHK-FLIBITNWSA-N 0 0 247.338 3.632 20 0 BHADRN C/C=C(/C=C\C(=O)Nc1cc(O)ccc1C)CC ZINC000862963487 589249114 /nfs/dbraw/zinc/24/91/14/589249114.db2.gz NEHMQGYUGIUALH-AYMHWXCPSA-N 0 0 245.322 3.552 20 0 BHADRN C/C=C(/C=C/C(=O)Nc1cc(O)ccc1C)CC ZINC000862963488 589249040 /nfs/dbraw/zinc/24/90/40/589249040.db2.gz NEHMQGYUGIUALH-ZMYUOXORSA-N 0 0 245.322 3.552 20 0 BHADRN CC(C(=O)Nc1cc(O)ccc1C)=C1CCCC1 ZINC000862963573 589248997 /nfs/dbraw/zinc/24/89/97/589248997.db2.gz QTGVLJOOIYNWSF-UHFFFAOYSA-N 0 0 245.322 3.530 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)Nc1cc(O)ccc1C ZINC000862963674 589249082 /nfs/dbraw/zinc/24/90/82/589249082.db2.gz UJABJIUCWZIDDX-LUAWRHEFSA-N 0 0 247.338 3.632 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)Nc1cc(O)ccc1C ZINC000862963675 589249127 /nfs/dbraw/zinc/24/91/27/589249127.db2.gz UJABJIUCWZIDDX-PKNBQFBNSA-N 0 0 247.338 3.632 20 0 BHADRN Cc1ccc(O)cc1NC(=O)C=C1CCCCC1 ZINC000862964352 589249584 /nfs/dbraw/zinc/24/95/84/589249584.db2.gz WVJYADOCUUTKKW-UHFFFAOYSA-N 0 0 245.322 3.530 20 0 BHADRN CC1(C)CCC(C)(NC(=O)C2CCCC2)CC1 ZINC000862964511 589249562 /nfs/dbraw/zinc/24/95/62/589249562.db2.gz CGGMZSNDTYHEFP-UHFFFAOYSA-N 0 0 237.387 3.652 20 0 BHADRN Cc1occc1C(=O)NC1(C)CCC(C)(C)CC1 ZINC000862964836 589249480 /nfs/dbraw/zinc/24/94/80/589249480.db2.gz BQTFBWDKZDIEHP-UHFFFAOYSA-N 0 0 249.354 3.677 20 0 BHADRN CC(C)CC(=O)NC1(C)CCC(C)(C)CC1 ZINC000862964927 589249606 /nfs/dbraw/zinc/24/96/06/589249606.db2.gz NLNZMUQIAQZODM-UHFFFAOYSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@@H](C)C(=O)NC1(C)CCC(C)(C)CC1 ZINC000862965497 589249510 /nfs/dbraw/zinc/24/95/10/589249510.db2.gz QVNMYMHGOKXIBD-LLVKDONJSA-N 0 0 225.376 3.508 20 0 BHADRN CC[C@H](C)C(=O)NC1(C)CCC(C)(C)CC1 ZINC000862965498 589249379 /nfs/dbraw/zinc/24/93/79/589249379.db2.gz QVNMYMHGOKXIBD-NSHDSACASA-N 0 0 225.376 3.508 20 0 BHADRN Cc1ccoc1C(=O)NC1(C)CCC(C)(C)CC1 ZINC000862965505 589249396 /nfs/dbraw/zinc/24/93/96/589249396.db2.gz QZWKUTUGYAIDOM-UHFFFAOYSA-N 0 0 249.354 3.677 20 0 BHADRN CC(F)(F)CC(=O)NC1(C)CCC(C)(C)CC1 ZINC000862966741 589249597 /nfs/dbraw/zinc/24/95/97/589249597.db2.gz KEKYIHUZCWGMHY-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN CC1(C)CCC(C)(NC(=O)CCC(F)F)CC1 ZINC000862967233 589249357 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20 0 BHADRN CC(C)=CC(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC000863036846 589252470 /nfs/dbraw/zinc/25/24/70/589252470.db2.gz GJDVYFHGAWMWNK-MRXNPFEDSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC000863038586 589252701 /nfs/dbraw/zinc/25/27/01/589252701.db2.gz SMUGSLSOACFENZ-IIEJUSTOSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC000863038587 589252498 /nfs/dbraw/zinc/25/24/98/589252498.db2.gz SMUGSLSOACFENZ-MRHLJLSQSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC000863038590 589252613 /nfs/dbraw/zinc/25/26/13/589252613.db2.gz SMUGSLSOACFENZ-NNSJBKGDSA-N 0 0 245.366 3.775 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC000863038591 589252692 /nfs/dbraw/zinc/25/26/92/589252692.db2.gz SMUGSLSOACFENZ-OEWWAVFSSA-N 0 0 245.366 3.775 20 0 BHADRN C/C(=C/C(C)(C)C)C(=O)NCC1(C)C[C@H]2C[C@H]2C1 ZINC000863123457 589260908 /nfs/dbraw/zinc/26/09/08/589260908.db2.gz SWDCHZNRGLVRKV-DDWPAIOCSA-N 0 0 249.398 3.531 20 0 BHADRN C/C(=C\C(C)(C)C)C(=O)NCC1(C)C[C@H]2C[C@H]2C1 ZINC000863123459 589260854 /nfs/dbraw/zinc/26/08/54/589260854.db2.gz SWDCHZNRGLVRKV-OAQCVINISA-N 0 0 249.398 3.531 20 0 BHADRN CCCCCCC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000863129334 589261560 /nfs/dbraw/zinc/26/15/60/589261560.db2.gz UTGVTAYIBSGLCW-AGGWBTHJSA-N 0 0 237.387 3.509 20 0 BHADRN CCNC(=S)Nc1cccc([C@@H](C)CC)c1 ZINC000863204815 589271008 /nfs/dbraw/zinc/27/10/08/589271008.db2.gz LLBCQWMDECCEKC-JTQLQIEISA-N 0 0 236.384 3.506 20 0 BHADRN CCNC(=S)Nc1cccc([C@H](C)CC)c1 ZINC000863204816 589270950 /nfs/dbraw/zinc/27/09/50/589270950.db2.gz LLBCQWMDECCEKC-SNVBAGLBSA-N 0 0 236.384 3.506 20 0 BHADRN CNC(=S)Nc1cccc(C2CCCCC2)c1 ZINC000863205249 589271348 /nfs/dbraw/zinc/27/13/48/589271348.db2.gz SHZRKAZOCCEGCO-UHFFFAOYSA-N 0 0 248.395 3.651 20 0 BHADRN CC[C@H](C)c1cccc(NC(=S)NC2CC2)c1 ZINC000863205526 589271330 /nfs/dbraw/zinc/27/13/30/589271330.db2.gz YUFYWDWKGLINNA-JTQLQIEISA-N 0 0 248.395 3.649 20 0 BHADRN CC[C@@H](C)c1cccc(NC(=S)NC2CC2)c1 ZINC000863205528 589271267 /nfs/dbraw/zinc/27/12/67/589271267.db2.gz YUFYWDWKGLINNA-SNVBAGLBSA-N 0 0 248.395 3.649 20 0 BHADRN CC(=O)c1cc(F)ccc1OCSC(C)C ZINC000863208610 589271520 /nfs/dbraw/zinc/27/15/20/589271520.db2.gz LKCWZOZRYLXYJD-UHFFFAOYSA-N 0 0 242.315 3.506 20 0 BHADRN CCCOCSCc1ccccc1C ZINC000863218900 589272060 /nfs/dbraw/zinc/27/20/60/589272060.db2.gz LQHYDRSOMGKIPA-UHFFFAOYSA-N 0 0 210.342 3.612 20 0 BHADRN CCCOCSc1nc2ccccc2s1 ZINC000863222806 589272490 /nfs/dbraw/zinc/27/24/90/589272490.db2.gz BIKTZNIQSZWBDO-UHFFFAOYSA-N 0 0 239.365 3.773 20 0 BHADRN CCCOCSc1ccc2ccccc2n1 ZINC000863222892 589272543 /nfs/dbraw/zinc/27/25/43/589272543.db2.gz FYDKDRIOORHVTI-UHFFFAOYSA-N 0 0 233.336 3.711 20 0 BHADRN CC(=O)c1ccc(OCCC(F)=C(F)F)cc1 ZINC000863223005 589272776 /nfs/dbraw/zinc/27/27/76/589272776.db2.gz KOJRZGQFNLHVKL-UHFFFAOYSA-N 0 0 244.212 3.736 20 0 BHADRN CC(C)SCOc1ccccc1Cl ZINC000863223126 589272544 /nfs/dbraw/zinc/27/25/44/589272544.db2.gz NDXJOYMHMNMICI-UHFFFAOYSA-N 0 0 216.733 3.818 20 0 BHADRN CC(C)SCOc1ccc(Cl)cc1 ZINC000863223187 589272432 /nfs/dbraw/zinc/27/24/32/589272432.db2.gz QGKVMUZDUJTFOK-UHFFFAOYSA-N 0 0 216.733 3.818 20 0 BHADRN CCCOCSc1ccc(Cl)cc1 ZINC000863223223 589272408 /nfs/dbraw/zinc/27/24/08/589272408.db2.gz RSRKFKDKZCISEG-UHFFFAOYSA-N 0 0 216.733 3.816 20 0 BHADRN CC(C)SCOc1cccc(Cl)c1 ZINC000863223265 589272719 /nfs/dbraw/zinc/27/27/19/589272719.db2.gz SWCMMGRSDADSOY-UHFFFAOYSA-N 0 0 216.733 3.818 20 0 BHADRN CC(C)SCSc1nc2ccccc2[nH]1 ZINC000863223310 589272499 /nfs/dbraw/zinc/27/24/99/589272499.db2.gz WEWRZJHYZHFFGN-UHFFFAOYSA-N 0 0 238.381 3.754 20 0 BHADRN FC(F)=C(F)CCSCc1ccco1 ZINC000863223537 589272692 /nfs/dbraw/zinc/27/26/92/589272692.db2.gz YIVHMQHGNKZBIH-UHFFFAOYSA-N 0 0 222.231 3.981 20 0 BHADRN CC(C)SCSCc1ccco1 ZINC000863223567 589272538 /nfs/dbraw/zinc/27/25/38/589272538.db2.gz YWAHNNOALMRNEH-UHFFFAOYSA-N 0 0 202.344 3.612 20 0 BHADRN BrC1(CSc2ccccc2)CC1 ZINC000863224612 589272910 /nfs/dbraw/zinc/27/29/10/589272910.db2.gz DTINCERGILIXLR-UHFFFAOYSA-N 0 0 243.169 3.706 20 0 BHADRN CC(C)SCOc1ccc(F)cc1Cl ZINC000863224742 589273032 /nfs/dbraw/zinc/27/30/32/589273032.db2.gz ANNLQNWAWHYZQS-UHFFFAOYSA-N 0 0 234.723 3.957 20 0 BHADRN CCCOCSCc1ccc(Cl)cc1 ZINC000863224982 589273061 /nfs/dbraw/zinc/27/30/61/589273061.db2.gz HOJGGCOTENVMIL-UHFFFAOYSA-N 0 0 230.760 3.957 20 0 BHADRN CC(=O)c1ccccc1OCCC(F)=C(F)F ZINC000863225282 589272876 /nfs/dbraw/zinc/27/28/76/589272876.db2.gz VKEIEXYSBWERKI-UHFFFAOYSA-N 0 0 244.212 3.736 20 0 BHADRN CCCOCSc1ccccc1Cl ZINC000863225410 589272990 /nfs/dbraw/zinc/27/29/90/589272990.db2.gz OCTHUJZSLHHIMW-UHFFFAOYSA-N 0 0 216.733 3.816 20 0 BHADRN Fc1cc(CSC2CCCCC2)ccn1 ZINC000863225807 589272811 /nfs/dbraw/zinc/27/28/11/589272811.db2.gz BIOAPYHZUMNYJE-UHFFFAOYSA-N 0 0 225.332 3.787 20 0 BHADRN CCC[C@@H](C)CCCSc1cccc[n+]1[O-] ZINC000863225988 589273037 /nfs/dbraw/zinc/27/30/37/589273037.db2.gz KISBHFHJKIBGTD-GFCCVEGCSA-N 0 0 239.384 3.629 20 0 BHADRN CCC[C@H](C)CCCSc1cccc[n+]1[O-] ZINC000863225989 589273080 /nfs/dbraw/zinc/27/30/80/589273080.db2.gz KISBHFHJKIBGTD-LBPRGKRZSA-N 0 0 239.384 3.629 20 0 BHADRN CCC(=O)c1ccc(OCSC(C)C)cc1 ZINC000863226175 589273081 /nfs/dbraw/zinc/27/30/81/589273081.db2.gz SMVLRLLLKUIZDF-UHFFFAOYSA-N 0 0 238.352 3.757 20 0 BHADRN Cn1nc(CSC2CCCCC2)cc1Cl ZINC000863226290 589272984 /nfs/dbraw/zinc/27/29/84/589272984.db2.gz ZIUNWVZNQJKIBU-UHFFFAOYSA-N 0 0 244.791 3.639 20 0 BHADRN Cc1ccc(SCOC(=O)OC(C)C)cc1 ZINC000863226778 589273404 /nfs/dbraw/zinc/27/34/04/589273404.db2.gz RTRQYJWNBZTUAQ-UHFFFAOYSA-N 0 0 240.324 3.606 20 0 BHADRN FC(F)(Cl)CCSC1CCCC1 ZINC000863226831 589273412 /nfs/dbraw/zinc/27/34/12/589273412.db2.gz UTMRJUWEPZUCDT-UHFFFAOYSA-N 0 0 214.708 3.884 20 0 BHADRN CC(C)CSCCC(F)(F)Cl ZINC000863226885 589273296 /nfs/dbraw/zinc/27/32/96/589273296.db2.gz VYNCHPSVCLRDRH-UHFFFAOYSA-N 0 0 202.697 3.597 20 0 BHADRN BrC1(CSC2CCCC2)CC1 ZINC000863226993 589273287 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210.342 3.780 20 0 BHADRN CCCOCSc1ccc(C)cc1C ZINC000863248177 589274327 /nfs/dbraw/zinc/27/43/27/589274327.db2.gz OYQHHKMLOGSMKU-UHFFFAOYSA-N 0 0 210.342 3.780 20 0 BHADRN Cc1csc(SCCC(F)(F)Cl)n1 ZINC000863249829 589274682 /nfs/dbraw/zinc/27/46/82/589274682.db2.gz OGXVCPUBJCMFKM-UHFFFAOYSA-N 0 0 243.731 3.765 20 0 BHADRN Cc1csc(SCSC(C)C)n1 ZINC000863249848 589274741 /nfs/dbraw/zinc/27/47/41/589274741.db2.gz OTCHNBCDHRBJAR-UHFFFAOYSA-N 0 0 219.400 3.643 20 0 BHADRN CC(C)SCSc1ncc2ccccn21 ZINC000863259622 589275236 /nfs/dbraw/zinc/27/52/36/589275236.db2.gz BNQQRVILZQXZNM-UHFFFAOYSA-N 0 0 238.381 3.526 20 0 BHADRN CC(C)SCOc1ccc(Cl)cc1F ZINC000863260911 589275008 /nfs/dbraw/zinc/27/50/08/589275008.db2.gz SZZLGGRUOSUMBA-UHFFFAOYSA-N 0 0 234.723 3.957 20 0 BHADRN CCCOCSc1ccc2c(c1)CCC2 ZINC000863264692 589275192 /nfs/dbraw/zinc/27/51/92/589275192.db2.gz KGTJKFDRBFIMCP-UHFFFAOYSA-N 0 0 222.353 3.652 20 0 BHADRN CCCOCSc1ccc(F)c(Cl)c1 ZINC000863265100 589275045 /nfs/dbraw/zinc/27/50/45/589275045.db2.gz PIZTXYADHRWXDN-UHFFFAOYSA-N 0 0 234.723 3.955 20 0 BHADRN COc1ccc(SCSC(C)C)cc1 ZINC000863265198 589275224 /nfs/dbraw/zinc/27/52/24/589275224.db2.gz MWGLLNQWTNZBNO-UHFFFAOYSA-N 0 0 228.382 3.886 20 0 BHADRN CCC[C@@H](C)CCCSc1nncn1CC ZINC000863271773 589275266 /nfs/dbraw/zinc/27/52/66/589275266.db2.gz SNVBLWXZJWNCED-LLVKDONJSA-N 0 0 241.404 3.607 20 0 BHADRN CCC[C@H](C)CCCSc1nncn1CC ZINC000863271774 589275292 /nfs/dbraw/zinc/27/52/92/589275292.db2.gz SNVBLWXZJWNCED-NSHDSACASA-N 0 0 241.404 3.607 20 0 BHADRN C/C=C(/C)C(=O)N[C@@H](CC)c1cc(C)ccc1C ZINC000863274498 589275724 /nfs/dbraw/zinc/27/57/24/589275724.db2.gz ZYNZGXFWMTYMAR-GIXCSOPHSA-N 0 0 245.366 3.837 20 0 BHADRN C/C=C(\C)C(=O)N[C@H](CC)c1cc(C)ccc1C ZINC000863274499 589275502 /nfs/dbraw/zinc/27/55/02/589275502.db2.gz ZYNZGXFWMTYMAR-KXCGHJCSSA-N 0 0 245.366 3.837 20 0 BHADRN C/C=C(\C)C(=O)N[C@@H](CC)c1cc(C)ccc1C ZINC000863274500 589275763 /nfs/dbraw/zinc/27/57/63/589275763.db2.gz ZYNZGXFWMTYMAR-MFMIUCCHSA-N 0 0 245.366 3.837 20 0 BHADRN C/C=C(/C)C(=O)N[C@H](CC)c1cc(C)ccc1C ZINC000863274501 589275680 /nfs/dbraw/zinc/27/56/80/589275680.db2.gz ZYNZGXFWMTYMAR-NYXMJBRJSA-N 0 0 245.366 3.837 20 0 BHADRN CCCOCSc1ccc(OCC)cc1 ZINC000863275994 589275821 /nfs/dbraw/zinc/27/58/21/589275821.db2.gz PKJFRRRCDYYJLT-UHFFFAOYSA-N 0 0 226.341 3.562 20 0 BHADRN CCCOCSc1cccc2cccnc21 ZINC000863276421 589275599 /nfs/dbraw/zinc/27/55/99/589275599.db2.gz CZTIABSHAAQGOU-UHFFFAOYSA-N 0 0 233.336 3.711 20 0 BHADRN CC[C@H](NC(=O)C=C(C)C)c1cc(C)ccc1C ZINC000863277076 589275771 /nfs/dbraw/zinc/27/57/71/589275771.db2.gz KQYPSWTWBRUQAG-HNNXBMFYSA-N 0 0 245.366 3.837 20 0 BHADRN CC[C@@H](NC(=O)C=C(C)C)c1cc(C)ccc1C ZINC000863277077 589275465 /nfs/dbraw/zinc/27/54/65/589275465.db2.gz KQYPSWTWBRUQAG-OAHLLOKOSA-N 0 0 245.366 3.837 20 0 BHADRN C[C@@H]1CCCC[C@@H]1Sc1ccc(Cl)nn1 ZINC000863278512 589275518 /nfs/dbraw/zinc/27/55/18/589275518.db2.gz IWLADKWXJDYMJQ-BDAKNGLRSA-N 0 0 242.775 3.801 20 0 BHADRN C[C@H]1CCCC[C@H]1Sc1ccc(Cl)nn1 ZINC000863278513 589275776 /nfs/dbraw/zinc/27/57/76/589275776.db2.gz IWLADKWXJDYMJQ-DTWKUNHWSA-N 0 0 242.775 3.801 20 0 BHADRN C[C@H]1CCCC[C@@H]1Sc1ccc(Cl)nn1 ZINC000863278514 589275694 /nfs/dbraw/zinc/27/56/94/589275694.db2.gz IWLADKWXJDYMJQ-IUCAKERBSA-N 0 0 242.775 3.801 20 0 BHADRN C[C@@H]1CCCC[C@H]1Sc1ccc(Cl)nn1 ZINC000863278515 589275822 /nfs/dbraw/zinc/27/58/22/589275822.db2.gz IWLADKWXJDYMJQ-RKDXNWHRSA-N 0 0 242.775 3.801 20 0 BHADRN CC(C)SCSc1nccn1C(C)C ZINC000863278551 589275718 /nfs/dbraw/zinc/27/57/18/589275718.db2.gz JLGUMKYTPMHXAO-UHFFFAOYSA-N 0 0 230.402 3.655 20 0 BHADRN CC1(C)CC(CSc2ccc(Cl)nn2)C1 ZINC000863279337 589275523 /nfs/dbraw/zinc/27/55/23/589275523.db2.gz ZGPHBCNSMMXPPK-UHFFFAOYSA-N 0 0 242.775 3.658 20 0 BHADRN CC(C)SCSc1ncccc1Cl ZINC000863279751 589275561 /nfs/dbraw/zinc/27/55/61/589275561.db2.gz ZTWOSORJZPUHEU-UHFFFAOYSA-N 0 0 233.789 3.926 20 0 BHADRN Cc1nc(SCCC(F)(F)Cl)oc1C ZINC000863279760 589275493 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Cc1ccc(SCCC(F)(F)Cl)nc1 ZINC000863291179 589276676 /nfs/dbraw/zinc/27/66/76/589276676.db2.gz HPZWRRFTLCGXSF-UHFFFAOYSA-N 0 0 237.702 3.704 20 0 BHADRN Cc1ccc(SCSC(C)C)nc1 ZINC000863291284 589276936 /nfs/dbraw/zinc/27/69/36/589276936.db2.gz IQXQJIJMFDBUQS-UHFFFAOYSA-N 0 0 213.371 3.581 20 0 BHADRN BrC1(CSc2cccs2)CC1 ZINC000863291748 589276669 /nfs/dbraw/zinc/27/66/69/589276669.db2.gz QTSDJWSVMMKAGH-UHFFFAOYSA-N 0 0 249.198 3.768 20 0 BHADRN CC(C)SCSc1ccc(O)cc1 ZINC000863291832 589276928 /nfs/dbraw/zinc/27/69/28/589276928.db2.gz AFZFEPIHBNTDPZ-UHFFFAOYSA-N 0 0 214.355 3.583 20 0 BHADRN CC(C)SCSc1nnc(C(C)(C)C)o1 ZINC000863292176 589276891 /nfs/dbraw/zinc/27/68/91/589276891.db2.gz DJZFOSAICIXDPS-UHFFFAOYSA-N 0 0 246.401 3.558 20 0 BHADRN Cc1ccc(SCCC(F)=C(F)F)nc1 ZINC000863292884 589276605 /nfs/dbraw/zinc/27/66/05/589276605.db2.gz ULMOVQFXGAYVLY-UHFFFAOYSA-N 0 0 233.258 3.950 20 0 BHADRN CCCOCSc1c(F)cc(F)cc1F ZINC000863294581 589276761 /nfs/dbraw/zinc/27/67/61/589276761.db2.gz JKLDVHVAFWLJFC-UHFFFAOYSA-N 0 0 236.258 3.580 20 0 BHADRN CCCOCSCc1cccc(Cl)c1 ZINC000863295516 589276988 /nfs/dbraw/zinc/27/69/88/589276988.db2.gz WTEZAMYYTXJHFE-UHFFFAOYSA-N 0 0 230.760 3.957 20 0 BHADRN Cc1ccccc1SCOC(=O)OC(C)C ZINC000863295583 589277168 /nfs/dbraw/zinc/27/71/68/589277168.db2.gz ZQUOAFHRZHPSBM-UHFFFAOYSA-N 0 0 240.324 3.606 20 0 BHADRN Cc1cccc(SCOC(=O)OC(C)C)c1 ZINC000863296375 589276995 /nfs/dbraw/zinc/27/69/95/589276995.db2.gz FXGGCQCWPFKOSP-UHFFFAOYSA-N 0 0 240.324 3.606 20 0 BHADRN CCCOCSCC1CCCCC1 ZINC000863296732 589277166 /nfs/dbraw/zinc/27/71/66/589277166.db2.gz OTHGFRGHHILGEN-UHFFFAOYSA-N 0 0 202.363 3.684 20 0 BHADRN COc1ccccc1SCSC(C)C ZINC000863297785 589277348 /nfs/dbraw/zinc/27/73/48/589277348.db2.gz JFLVIQBEQGFYKS-UHFFFAOYSA-N 0 0 228.382 3.886 20 0 BHADRN CC(C)SCOc1ccc(C=O)cc1Cl ZINC000863298245 589277281 /nfs/dbraw/zinc/27/72/81/589277281.db2.gz VJYZJZOJJFMEQF-UHFFFAOYSA-N 0 0 244.743 3.630 20 0 BHADRN CCC(CC)SCc1ccnc(F)c1 ZINC000863298871 589277217 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BHADRN CCCOCSCCCc1ccccc1 ZINC000863305432 589277546 /nfs/dbraw/zinc/27/75/46/589277546.db2.gz NYYYFRFLBWNWBB-UHFFFAOYSA-N 0 0 224.369 3.737 20 0 BHADRN CC(C)SCOc1cc(Cl)ccc1F ZINC000863305532 589277504 /nfs/dbraw/zinc/27/75/04/589277504.db2.gz HCCCMVKCWIIPQR-UHFFFAOYSA-N 0 0 234.723 3.957 20 0 BHADRN C[C@H]1C[C@@H]1CSC1=Nc2ccccc2C1 ZINC000863306179 589277653 /nfs/dbraw/zinc/27/76/53/589277653.db2.gz GNOSBWTYBIIZGL-GXSJLCMTSA-N 0 0 217.337 3.662 20 0 BHADRN C[C@@H]1C[C@H]1CSC1=Nc2ccccc2C1 ZINC000863306180 589277608 /nfs/dbraw/zinc/27/76/08/589277608.db2.gz GNOSBWTYBIIZGL-KOLCDFICSA-N 0 0 217.337 3.662 20 0 BHADRN C[C@@H]1C[C@@H]1CSC1=Nc2ccccc2C1 ZINC000863306181 589277801 /nfs/dbraw/zinc/27/78/01/589277801.db2.gz GNOSBWTYBIIZGL-MWLCHTKSSA-N 0 0 217.337 3.662 20 0 BHADRN C[C@H]1C[C@H]1CSC1=Nc2ccccc2C1 ZINC000863306182 589277734 /nfs/dbraw/zinc/27/77/34/589277734.db2.gz GNOSBWTYBIIZGL-ONGXEEELSA-N 0 0 217.337 3.662 20 0 BHADRN C[C@@H]1C[C@@H](SC2=Nc3ccccc3C2)CCO1 ZINC000863306184 589277582 /nfs/dbraw/zinc/27/75/82/589277582.db2.gz GQALKUJWAFPDJX-PWSUYJOCSA-N 0 0 247.363 3.573 20 0 BHADRN CCCOCS[C@H](C)c1cccs1 ZINC000863306694 589278145 /nfs/dbraw/zinc/27/81/45/589278145.db2.gz IPHAMIVVNIYVCE-SECBINFHSA-N 0 0 216.371 3.926 20 0 BHADRN CCCOCS[C@@H](C)c1cccs1 ZINC000863306697 589278023 /nfs/dbraw/zinc/27/80/23/589278023.db2.gz IPHAMIVVNIYVCE-VIFPVBQESA-N 0 0 216.371 3.926 20 0 BHADRN CCCOCSc1nc2cc(C)ccc2o1 ZINC000863307391 589277981 /nfs/dbraw/zinc/27/79/81/589277981.db2.gz YAOSUXAVRVAFNL-UHFFFAOYSA-N 0 0 237.324 3.612 20 0 BHADRN C[C@@H](SCCc1cnoc1)c1cccs1 ZINC000863307581 589278124 /nfs/dbraw/zinc/27/81/24/589278124.db2.gz WOYLUZDCMBZQTQ-SECBINFHSA-N 0 0 239.365 3.773 20 0 BHADRN C[C@H](SCCc1cnoc1)c1cccs1 ZINC000863307582 589278207 /nfs/dbraw/zinc/27/82/07/589278207.db2.gz WOYLUZDCMBZQTQ-VIFPVBQESA-N 0 0 239.365 3.773 20 0 BHADRN Cc1nc(SCSC(C)C)sc1C ZINC000863307779 589277902 /nfs/dbraw/zinc/27/79/02/589277902.db2.gz GIPGDHNVACSLRV-UHFFFAOYSA-N 0 0 233.427 3.951 20 0 BHADRN Cc1ccc(F)c(OCCC(F)=C(F)F)c1 ZINC000863307913 589278191 /nfs/dbraw/zinc/27/81/91/589278191.db2.gz MEUSQBCMGGZQRM-UHFFFAOYSA-N 0 0 234.192 3.981 20 0 BHADRN CC(C)SCSc1ncc(C(C)C)n1C ZINC000863308288 589278028 /nfs/dbraw/zinc/27/80/28/589278028.db2.gz FEIUMKLHPBTCFC-UHFFFAOYSA-N 0 0 244.429 3.735 20 0 BHADRN CCCOCS[C@H](C)c1ccccc1OC ZINC000863308484 589278098 /nfs/dbraw/zinc/27/80/98/589278098.db2.gz WCWGBNFGCXEGQZ-LLVKDONJSA-N 0 0 240.368 3.874 20 0 BHADRN CCCOCS[C@@H](C)c1ccccc1OC ZINC000863308486 589278003 /nfs/dbraw/zinc/27/80/03/589278003.db2.gz WCWGBNFGCXEGQZ-NSHDSACASA-N 0 0 240.368 3.874 20 0 BHADRN Cc1ccc(F)c(OCSC(C)C)c1 ZINC000863308488 589278109 /nfs/dbraw/zinc/27/81/09/589278109.db2.gz WEIYAOJOMDYQIB-UHFFFAOYSA-N 0 0 214.305 3.612 20 0 BHADRN CC(C)SCSc1nnc(C2CC2)s1 ZINC000863308730 589278202 /nfs/dbraw/zinc/27/82/02/589278202.db2.gz LALLOZCTBJMBIO-UHFFFAOYSA-N 0 0 246.426 3.607 20 0 BHADRN CC(C)(C)C(=O)CSCCC(F)(F)Cl ZINC000863309163 589278079 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3.986 20 0 BHADRN Cc1cc(Cl)ccc1Cn1ccnc1C1CC1 ZINC000863386812 589286013 /nfs/dbraw/zinc/28/60/13/589286013.db2.gz QNJCPRIUSHANOT-UHFFFAOYSA-N 0 0 246.741 3.771 20 0 BHADRN Cc1cnc(CSCc2ccccc2F)o1 ZINC000863392374 589285813 /nfs/dbraw/zinc/28/58/13/589285813.db2.gz MKYPCVRNFGYDJU-UHFFFAOYSA-N 0 0 237.299 3.556 20 0 BHADRN Cc1cnc(CSCc2ccc(F)cc2)o1 ZINC000863392474 589286027 /nfs/dbraw/zinc/28/60/27/589286027.db2.gz PDUNKWZKSFOTIG-UHFFFAOYSA-N 0 0 237.299 3.556 20 0 BHADRN Cc1cnc(CS[C@H](C)c2ccccc2)o1 ZINC000863392750 589286159 /nfs/dbraw/zinc/28/61/59/589286159.db2.gz GERWCVQYSGFPKP-LLVKDONJSA-N 0 0 233.336 3.977 20 0 BHADRN CC(C)CCSCc1ccnc(F)c1 ZINC000863392753 589285943 /nfs/dbraw/zinc/28/59/43/589285943.db2.gz GHQUXTLTEQBISG-UHFFFAOYSA-N 0 0 213.321 3.500 20 0 BHADRN Cc1cnc(CSCc2ccc(C)cc2)o1 ZINC000863392926 589286224 /nfs/dbraw/zinc/28/62/24/589286224.db2.gz ZYCSILGXLDJWLT-UHFFFAOYSA-N 0 0 233.336 3.725 20 0 BHADRN COC1CC(SCc2ccc(Cl)s2)C1 ZINC000863393012 589286397 /nfs/dbraw/zinc/28/63/97/589286397.db2.gz MRLDJYDGBOZBFJ-UHFFFAOYSA-N 0 0 248.800 3.812 20 0 BHADRN Cc1cnc(CSCc2cccc(F)c2)o1 ZINC000863393031 589286116 /nfs/dbraw/zinc/28/61/16/589286116.db2.gz NTRVXINDGYGLTH-UHFFFAOYSA-N 0 0 237.299 3.556 20 0 BHADRN Cc1cnc(CSCCC(C)(C)C)o1 ZINC000863395086 589286321 /nfs/dbraw/zinc/28/63/21/589286321.db2.gz AKCSKNHTWTWBIY-UHFFFAOYSA-N 0 0 213.346 3.652 20 0 BHADRN CCc1cccc(CSCc2ncc(C)o2)c1 ZINC000863395487 589286216 /nfs/dbraw/zinc/28/62/16/589286216.db2.gz GRAJGELDCJXAEX-UHFFFAOYSA-N 0 0 247.363 3.979 20 0 BHADRN CC/C=C\CCSCc1cc(Cl)n(C)n1 ZINC000863395780 589286291 /nfs/dbraw/zinc/28/62/91/589286291.db2.gz JQKLMCXQTPUPBM-PLNGDYQASA-N 0 0 244.791 3.663 20 0 BHADRN CC/C=C/CCSCc1cc(Cl)n(C)n1 ZINC000863395781 589286387 /nfs/dbraw/zinc/28/63/87/589286387.db2.gz JQKLMCXQTPUPBM-SNAWJCMRSA-N 0 0 244.791 3.663 20 0 BHADRN CC/C=C\CCSCc1ccnc(F)c1 ZINC000863396118 589286281 /nfs/dbraw/zinc/28/62/81/589286281.db2.gz NTYGQCVVJKAELP-ARJAWSKDSA-N 0 0 225.332 3.810 20 0 BHADRN CC/C=C/CCSCc1ccnc(F)c1 ZINC000863396119 589286354 /nfs/dbraw/zinc/28/63/54/589286354.db2.gz NTYGQCVVJKAELP-ONEGZZNKSA-N 0 0 225.332 3.810 20 0 BHADRN Fc1cc(CSCC2CCCC2)ccn1 ZINC000863396363 589286407 /nfs/dbraw/zinc/28/64/07/589286407.db2.gz OBJGFDGHNXCFNQ-UHFFFAOYSA-N 0 0 225.332 3.644 20 0 BHADRN CCCCCCSCc1ncc(C)o1 ZINC000863396513 589286414 /nfs/dbraw/zinc/28/64/14/589286414.db2.gz PYSUHNCRIAIDKO-UHFFFAOYSA-N 0 0 213.346 3.797 20 0 BHADRN CC/C=C\CCSCc1ncc(C)o1 ZINC000863396579 589286359 /nfs/dbraw/zinc/28/63/59/589286359.db2.gz RQJWACRJGWDPHK-PLNGDYQASA-N 0 0 211.330 3.573 20 0 BHADRN CC/C=C/CCSCc1ncc(C)o1 ZINC000863396581 589286454 /nfs/dbraw/zinc/28/64/54/589286454.db2.gz RQJWACRJGWDPHK-SNAWJCMRSA-N 0 0 211.330 3.573 20 0 BHADRN CCc1ccccc1CSCc1ncc(C)o1 ZINC000863397137 589286711 /nfs/dbraw/zinc/28/67/11/589286711.db2.gz XUARUCAZKAYUTQ-UHFFFAOYSA-N 0 0 247.363 3.979 20 0 BHADRN Cc1cnc(CSCCc2cccs2)o1 ZINC000863397241 589286744 /nfs/dbraw/zinc/28/67/44/589286744.db2.gz ZWVVYDLMSMZXGC-UHFFFAOYSA-N 0 0 239.365 3.520 20 0 BHADRN CCc1ccc(CSCc2ncc(C)o2)cc1 ZINC000863397397 589286748 /nfs/dbraw/zinc/28/67/48/589286748.db2.gz ROPPFAKINWHDIJ-UHFFFAOYSA-N 0 0 247.363 3.979 20 0 BHADRN Cc1cnc(CSC[C@@H](C)CC(C)C)o1 ZINC000863397628 589286637 /nfs/dbraw/zinc/28/66/37/589286637.db2.gz RYKMXPWYUFOIAU-JTQLQIEISA-N 0 0 227.373 3.898 20 0 BHADRN Cc1cnc(CSC[C@H](C)CC(C)C)o1 ZINC000863397630 589286735 /nfs/dbraw/zinc/28/67/35/589286735.db2.gz RYKMXPWYUFOIAU-SNVBAGLBSA-N 0 0 227.373 3.898 20 0 BHADRN O=C1CCC[C@H]1CCSCC1CC(F)(F)C1 ZINC000863397793 589286587 /nfs/dbraw/zinc/28/65/87/589286587.db2.gz XIMRKIKLSWAPFD-JTQLQIEISA-N 0 0 248.338 3.524 20 0 BHADRN O=C1CCC[C@@H]1CCSCC1CC(F)(F)C1 ZINC000863397794 589286670 /nfs/dbraw/zinc/28/66/70/589286670.db2.gz XIMRKIKLSWAPFD-SNVBAGLBSA-N 0 0 248.338 3.524 20 0 BHADRN FCCCCCSCc1ccnc(F)c1 ZINC000863397983 589283864 /nfs/dbraw/zinc/28/38/64/589283864.db2.gz ZTMUFOJVAOTPBC-UHFFFAOYSA-N 0 0 231.311 3.594 20 0 BHADRN COC1CC(SCc2ccc(CF)cc2)C1 ZINC000863398325 589286676 /nfs/dbraw/zinc/28/66/76/589286676.db2.gz SQJKPUYSGSZSJX-UHFFFAOYSA-N 0 0 240.343 3.567 20 0 BHADRN Cc1cnc(CSCC=C(Cl)Cl)o1 ZINC000863398578 589286688 /nfs/dbraw/zinc/28/66/88/589286688.db2.gz AGIZNPOQUAREAO-UHFFFAOYSA-N 0 0 238.139 3.535 20 0 BHADRN Cc1cnc(CSCCCC2CCC2)o1 ZINC000863398583 589286752 /nfs/dbraw/zinc/28/67/52/589286752.db2.gz AKBVWJKLYKSQEE-UHFFFAOYSA-N 0 0 225.357 3.797 20 0 BHADRN Fc1cc(CSCC2=CCCC2)ccn1 ZINC000863398613 589286767 /nfs/dbraw/zinc/28/67/67/589286767.db2.gz BGCJCFOROCFNQV-UHFFFAOYSA-N 0 0 223.316 3.564 20 0 BHADRN Cc1oncc1CSCC1CC(C)(C)C1 ZINC000863398676 589286753 /nfs/dbraw/zinc/28/67/53/589286753.db2.gz DMFWPOKHMOCSIJ-UHFFFAOYSA-N 0 0 225.357 3.652 20 0 BHADRN CC[C@@H](CSCc1ncc(C)o1)CC(F)F ZINC000863399015 589287157 /nfs/dbraw/zinc/28/71/57/589287157.db2.gz RAIFADLFLKDJEQ-SECBINFHSA-N 0 0 249.326 3.898 20 0 BHADRN CC[C@H](CSCc1ncc(C)o1)CC(F)F ZINC000863399016 589286931 /nfs/dbraw/zinc/28/69/31/589286931.db2.gz RAIFADLFLKDJEQ-VIFPVBQESA-N 0 0 249.326 3.898 20 0 BHADRN CCC(CC)CSCc1ncc(C)o1 ZINC000863399080 589287149 /nfs/dbraw/zinc/28/71/49/589287149.db2.gz UVMPRJSVVCKNAI-UHFFFAOYSA-N 0 0 213.346 3.652 20 0 BHADRN Cc1cnc(CSCC2CC(C)(C)C2)o1 ZINC000863399426 589286984 /nfs/dbraw/zinc/28/69/84/589286984.db2.gz HWRRUDSPKLPEGH-UHFFFAOYSA-N 0 0 225.357 3.652 20 0 BHADRN Fc1cc(CSCCC2CCC2)ccn1 ZINC000863399499 589286964 /nfs/dbraw/zinc/28/69/64/589286964.db2.gz KRFWIMWITKOOTK-UHFFFAOYSA-N 0 0 225.332 3.644 20 0 BHADRN CC(C)=CCCSCc1ncc(C)o1 ZINC000863399623 589287089 /nfs/dbraw/zinc/28/70/89/589287089.db2.gz OXSBAWLOEVOATQ-UHFFFAOYSA-N 0 0 211.330 3.573 20 0 BHADRN CC(C)=CCCSCc1cc(Cl)n(C)n1 ZINC000863399633 589286973 /nfs/dbraw/zinc/28/69/73/589286973.db2.gz PPFPYDNWCBDGFX-UHFFFAOYSA-N 0 0 244.791 3.663 20 0 BHADRN CSCCSCC1CC(C)(C)C1 ZINC000863399660 589287031 /nfs/dbraw/zinc/28/70/31/589287031.db2.gz QRLMMULQSPLGKV-UHFFFAOYSA-N 0 0 204.404 3.519 20 0 BHADRN CC(C)=CCCSCc1ccnc(F)c1 ZINC000863399853 589287067 /nfs/dbraw/zinc/28/70/67/589287067.db2.gz VPEQVNBAVVNHEW-UHFFFAOYSA-N 0 0 225.332 3.810 20 0 BHADRN C[C@@H]1C[C@H]1CSCCC1SCCS1 ZINC000863399992 589287035 /nfs/dbraw/zinc/28/70/35/589287035.db2.gz YERATDQTUQGOTH-BDAKNGLRSA-N 0 0 234.455 3.572 20 0 BHADRN C[C@H]1C[C@@H]1CSCCC1SCCS1 ZINC000863400000 589287094 /nfs/dbraw/zinc/28/70/94/589287094.db2.gz YERATDQTUQGOTH-DTWKUNHWSA-N 0 0 234.455 3.572 20 0 BHADRN C[C@H]1C[C@H]1CSCCC1SCCS1 ZINC000863400001 589283702 /nfs/dbraw/zinc/28/37/02/589283702.db2.gz YERATDQTUQGOTH-IUCAKERBSA-N 0 0 234.455 3.572 20 0 BHADRN C[C@@H]1C[C@@H]1CSCCC1SCCS1 ZINC000863400002 589283741 /nfs/dbraw/zinc/28/37/41/589283741.db2.gz YERATDQTUQGOTH-RKDXNWHRSA-N 0 0 234.455 3.572 20 0 BHADRN CCO[C@H](CSCCSC(C)C)C1CC1 ZINC000863400214 589287061 /nfs/dbraw/zinc/28/70/61/589287061.db2.gz JTMGTTMPKANSLZ-GFCCVEGCSA-N 0 0 248.457 3.676 20 0 BHADRN CCO[C@@H](CSCCSC(C)C)C1CC1 ZINC000863400215 589286970 /nfs/dbraw/zinc/28/69/70/589286970.db2.gz JTMGTTMPKANSLZ-LBPRGKRZSA-N 0 0 248.457 3.676 20 0 BHADRN C[C@@H]1C[C@@H]1CSCc1ccnc(Cl)c1 ZINC000863400357 589286996 /nfs/dbraw/zinc/28/69/96/589286996.db2.gz GLOTVBBUIYLERE-PSASIEDQSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@@H]1C[C@H]1CSCc1ccnc(Cl)c1 ZINC000863400358 589286983 /nfs/dbraw/zinc/28/69/83/589286983.db2.gz GLOTVBBUIYLERE-SCZZXKLOSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@H]1C[C@@H]1CSCc1ccnc(Cl)c1 ZINC000863400359 589287057 /nfs/dbraw/zinc/28/70/57/589287057.db2.gz GLOTVBBUIYLERE-WCBMZHEXSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@H]1C[C@H]1CSCc1ccnc(Cl)c1 ZINC000863400360 589287137 /nfs/dbraw/zinc/28/71/37/589287137.db2.gz GLOTVBBUIYLERE-WPRPVWTQSA-N 0 0 227.760 3.624 20 0 BHADRN Cc1cnc(CS[C@H]2CCC(C)(C)C2)o1 ZINC000863400377 589287022 /nfs/dbraw/zinc/28/70/22/589287022.db2.gz HENGUUSVAXYMGV-JTQLQIEISA-N 0 0 225.357 3.795 20 0 BHADRN Cc1cnc(CS[C@@H]2CCC(C)(C)C2)o1 ZINC000863400378 589286960 /nfs/dbraw/zinc/28/69/60/589286960.db2.gz HENGUUSVAXYMGV-SNVBAGLBSA-N 0 0 225.357 3.795 20 0 BHADRN C[C@@H]1C[C@H]1CSCc1cccc(Cl)n1 ZINC000863400666 589287019 /nfs/dbraw/zinc/28/70/19/589287019.db2.gz JVHPEWDRGIBFSJ-BDAKNGLRSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@H]1C[C@@H]1CSCc1cccc(Cl)n1 ZINC000863400667 589286933 /nfs/dbraw/zinc/28/69/33/589286933.db2.gz JVHPEWDRGIBFSJ-DTWKUNHWSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@H]1C[C@H]1CSCc1cccc(Cl)n1 ZINC000863400668 589287016 /nfs/dbraw/zinc/28/70/16/589287016.db2.gz JVHPEWDRGIBFSJ-IUCAKERBSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@@H]1C[C@@H]1CSCc1cccc(Cl)n1 ZINC000863400669 589287108 /nfs/dbraw/zinc/28/71/08/589287108.db2.gz JVHPEWDRGIBFSJ-RKDXNWHRSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@@H]1C[C@@H]1CSCc1ccc(Cl)nc1 ZINC000863400900 589287033 /nfs/dbraw/zinc/28/70/33/589287033.db2.gz MRMWXERSPIEJBN-PSASIEDQSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@@H]1C[C@H]1CSCc1ccc(Cl)nc1 ZINC000863400901 589287029 /nfs/dbraw/zinc/28/70/29/589287029.db2.gz MRMWXERSPIEJBN-SCZZXKLOSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@H]1C[C@@H]1CSCc1ccc(Cl)nc1 ZINC000863400902 589287143 /nfs/dbraw/zinc/28/71/43/589287143.db2.gz MRMWXERSPIEJBN-WCBMZHEXSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@H]1C[C@H]1CSCc1ccc(Cl)nc1 ZINC000863400903 589287079 /nfs/dbraw/zinc/28/70/79/589287079.db2.gz MRMWXERSPIEJBN-WPRPVWTQSA-N 0 0 227.760 3.624 20 0 BHADRN CC(C)SCCSC[C@H]1C[C@H]1C ZINC000863400909 589287030 /nfs/dbraw/zinc/28/70/30/589287030.db2.gz MUABHQCLHANBSZ-NXEZZACHSA-N 0 0 204.404 3.517 20 0 BHADRN CC(C)SCCSC[C@@H]1C[C@@H]1C ZINC000863400910 589287051 /nfs/dbraw/zinc/28/70/51/589287051.db2.gz MUABHQCLHANBSZ-UWVGGRQHSA-N 0 0 204.404 3.517 20 0 BHADRN CC(C)SCCSC[C@H]1C[C@@H]1C ZINC000863400911 589287155 /nfs/dbraw/zinc/28/71/55/589287155.db2.gz MUABHQCLHANBSZ-VHSXEESVSA-N 0 0 204.404 3.517 20 0 BHADRN CC(C)SCCSC[C@@H]1C[C@H]1C ZINC000863400912 589287112 /nfs/dbraw/zinc/28/71/12/589287112.db2.gz MUABHQCLHANBSZ-ZJUUUORDSA-N 0 0 204.404 3.517 20 0 BHADRN C[C@H]1C[C@H]1CSCc1cnc(Cl)s1 ZINC000863401102 589287114 /nfs/dbraw/zinc/28/71/14/589287114.db2.gz OQYUJUCIUGCLPJ-BQBZGAKWSA-N 0 0 233.789 3.686 20 0 BHADRN C[C@H]1C[C@@H]1CSCc1cnc(Cl)s1 ZINC000863401103 589287073 /nfs/dbraw/zinc/28/70/73/589287073.db2.gz OQYUJUCIUGCLPJ-NKWVEPMBSA-N 0 0 233.789 3.686 20 0 BHADRN C[C@@H]1C[C@@H]1CSCc1cnc(Cl)s1 ZINC000863401104 589286999 /nfs/dbraw/zinc/28/69/99/589286999.db2.gz OQYUJUCIUGCLPJ-RNFRBKRXSA-N 0 0 233.789 3.686 20 0 BHADRN C[C@@H]1C[C@H]1CSCc1cnc(Cl)s1 ZINC000863401105 589286998 /nfs/dbraw/zinc/28/69/98/589286998.db2.gz OQYUJUCIUGCLPJ-RQJHMYQMSA-N 0 0 233.789 3.686 20 0 BHADRN Cc1cnc(CS[C@@H](C)CC(C)C)o1 ZINC000863401173 589287294 /nfs/dbraw/zinc/28/72/94/589287294.db2.gz RIPYCGORBQZEGZ-JTQLQIEISA-N 0 0 213.346 3.651 20 0 BHADRN Cc1cnc(CS[C@H](C)CC(C)C)o1 ZINC000863401174 589287259 /nfs/dbraw/zinc/28/72/59/589287259.db2.gz RIPYCGORBQZEGZ-SNVBAGLBSA-N 0 0 213.346 3.651 20 0 BHADRN C[C@@H]1C[C@@H]1CSCc1cccnc1Cl ZINC000863401386 589287252 /nfs/dbraw/zinc/28/72/52/589287252.db2.gz RRAZSLNJIBZBKK-PSASIEDQSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@@H]1C[C@H]1CSCc1cccnc1Cl ZINC000863401387 589287339 /nfs/dbraw/zinc/28/73/39/589287339.db2.gz RRAZSLNJIBZBKK-SCZZXKLOSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@H]1C[C@@H]1CSCc1cccnc1Cl ZINC000863401388 589283851 /nfs/dbraw/zinc/28/38/51/589283851.db2.gz RRAZSLNJIBZBKK-WCBMZHEXSA-N 0 0 227.760 3.624 20 0 BHADRN C[C@H]1C[C@H]1CSCc1cccnc1Cl ZINC000863401389 589283858 /nfs/dbraw/zinc/28/38/58/589283858.db2.gz RRAZSLNJIBZBKK-WPRPVWTQSA-N 0 0 227.760 3.624 20 0 BHADRN Cc1cnc(CSC/C(Cl)=C\Cl)o1 ZINC000863401418 589287325 /nfs/dbraw/zinc/28/73/25/589287325.db2.gz SNGGGPRACJJNAA-FARCUNLSSA-N 0 0 238.139 3.535 20 0 BHADRN Cc1cnc(CSC/C(Cl)=C/Cl)o1 ZINC000863401419 589287292 /nfs/dbraw/zinc/28/72/92/589287292.db2.gz SNGGGPRACJJNAA-UQCOIBPSSA-N 0 0 238.139 3.535 20 0 BHADRN Cc1cnc(CSCCc2ccc(C)cc2)o1 ZINC000863401761 636705785 /nfs/dbraw/zinc/70/57/85/636705785.db2.gz PBGRUSBQHXKFNN-UHFFFAOYSA-N 0 0 247.363 3.767 20 0 BHADRN 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C[C@@H](F)c1ccc(-c2cnc(Cl)n2C)cc1 ZINC000863978782 589331769 /nfs/dbraw/zinc/33/17/69/589331769.db2.gz FUABYYZQXJDCBK-MRVPVSSYSA-N 0 0 238.693 3.771 20 0 BHADRN C[C@H](F)c1ccc(-c2cnc(Cl)n2C)cc1 ZINC000863978783 589332117 /nfs/dbraw/zinc/33/21/17/589332117.db2.gz FUABYYZQXJDCBK-QMMMGPOBSA-N 0 0 238.693 3.771 20 0 BHADRN Cc1cc(C)c(-c2cnc(Cl)n2C)cc1C ZINC000863979382 589332269 /nfs/dbraw/zinc/33/22/69/589332269.db2.gz YYQBPWJAJSNXSM-UHFFFAOYSA-N 0 0 234.730 3.666 20 0 BHADRN CC(C)(C)Cc1nnc(Nc2cccc(F)c2)o1 ZINC000863980145 589332306 /nfs/dbraw/zinc/33/23/06/589332306.db2.gz BYADOISVMUXLJT-UHFFFAOYSA-N 0 0 249.289 3.541 20 0 BHADRN CCc1ccc(-c2nnc(NC(C)(C)C)o2)cc1 ZINC000863980377 583998726 /nfs/dbraw/zinc/99/87/26/583998726.db2.gz IAJIDHBFCLTYNN-UHFFFAOYSA-N 0 0 245.326 3.509 20 0 BHADRN c1ccc(Nc2nnc(CC3CCCC3)o2)cc1 ZINC000863980495 589332283 /nfs/dbraw/zinc/33/22/83/589332283.db2.gz IYQZCTCFKLBPFF-UHFFFAOYSA-N 0 0 243.310 3.546 20 0 BHADRN CC(C)CCc1nnc(Nc2cccc(F)c2)o1 ZINC000863980559 583998591 /nfs/dbraw/zinc/99/85/91/583998591.db2.gz LUOGWYHLEYOSBF-UHFFFAOYSA-N 0 0 249.289 3.541 20 0 BHADRN Fc1cccc(Nc2nnc(C3CCCC3)o2)c1 ZINC000863980921 589332489 /nfs/dbraw/zinc/33/24/89/589332489.db2.gz RZJCXBUCCRAGRT-UHFFFAOYSA-N 0 0 247.273 3.610 20 0 BHADRN CN(C)c1cc(F)cc(NCc2ccccc2)c1 ZINC000864016220 589333707 /nfs/dbraw/zinc/33/37/07/589333707.db2.gz NVEOCGWOBRKXJC-UHFFFAOYSA-N 0 0 244.313 3.504 20 0 BHADRN Oc1cccc(CNc2ccc3occc3c2)c1 ZINC000864018233 589333766 /nfs/dbraw/zinc/33/37/66/589333766.db2.gz VGYPQTCFZALTJZ-UHFFFAOYSA-N 0 0 239.274 3.751 20 0 BHADRN Cc1ccc(CNc2ccc3occc3c2)cn1 ZINC000864032172 589333829 /nfs/dbraw/zinc/33/38/29/589333829.db2.gz IBAUNALIIJTMBD-UHFFFAOYSA-N 0 0 238.290 3.748 20 0 BHADRN COc1ccc(NCc2ccccc2F)c(F)c1 ZINC000864032428 589333987 /nfs/dbraw/zinc/33/39/87/589333987.db2.gz AQGJTUUWBIDPOX-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN COc1ccc(NCc2cccc(F)c2)c(F)c1 ZINC000864032478 589333779 /nfs/dbraw/zinc/33/37/79/589333779.db2.gz CTLUFTQCJVAITD-UHFFFAOYSA-N 0 0 249.260 3.586 20 0 BHADRN COc1ccc(NCc2ccc(C)cc2)c(F)c1 ZINC000864032765 589333838 /nfs/dbraw/zinc/33/38/38/589333838.db2.gz IBKPYXRZWRTNPQ-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(NCc2cccc(C)c2)c(F)c1 ZINC000864032808 589333885 /nfs/dbraw/zinc/33/38/85/589333885.db2.gz JUJDTVQKMPAYJO-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(NCc2ccccc2C)c(F)c1 ZINC000864033415 589333940 /nfs/dbraw/zinc/33/39/40/589333940.db2.gz WAOOAERAQGRHQO-UHFFFAOYSA-N 0 0 245.297 3.755 20 0 BHADRN COc1ccc(COc2ccc(F)cc2)cc1C ZINC000864045222 589333665 /nfs/dbraw/zinc/33/36/65/589333665.db2.gz AUUCHDBIBYXYFQ-UHFFFAOYSA-N 0 0 246.281 3.722 20 0 BHADRN COc1ccc(COc2cccc(F)c2)cc1C ZINC000864045860 589334541 /nfs/dbraw/zinc/33/45/41/589334541.db2.gz OVUDSGWKKPMSQR-UHFFFAOYSA-N 0 0 246.281 3.722 20 0 BHADRN COc1ccc(COc2cccc(C)c2)cc1C ZINC000864045893 589334459 /nfs/dbraw/zinc/33/44/59/589334459.db2.gz RDJUXHTURSCMJZ-UHFFFAOYSA-N 0 0 242.318 3.891 20 0 BHADRN 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CC(C)Cc1cc(N[C@H](C(C)C)C2CC2)ncn1 ZINC000864093980 589344263 /nfs/dbraw/zinc/34/42/63/589344263.db2.gz YZOXEUMDNQWVJS-OAHLLOKOSA-N 0 0 247.386 3.522 20 0 BHADRN Cc1ccc(OC(=O)/C=C/c2ccco2)c(C)c1 ZINC000864136778 589346140 /nfs/dbraw/zinc/34/61/40/589346140.db2.gz BUNOWCYZBQNMGB-SOFGYWHQSA-N 0 0 242.274 3.515 20 0 BHADRN Cc1ccc(OC(=O)/C=C\c2ccco2)c(C)c1 ZINC000864136783 589346020 /nfs/dbraw/zinc/34/60/20/589346020.db2.gz BUNOWCYZBQNMGB-VURMDHGXSA-N 0 0 242.274 3.515 20 0 BHADRN Cc1sc(C)c2c1[nH]c(C1CCCC1)nc2=O ZINC000864355468 589355149 /nfs/dbraw/zinc/35/51/49/589355149.db2.gz MSYQCHHGHPDCRN-UHFFFAOYSA-N 0 0 248.351 3.671 20 0 BHADRN Cc1sc(-c2ccncc2)nc1C(C)(C)C ZINC000864367129 589355473 /nfs/dbraw/zinc/35/54/73/589355473.db2.gz NTTVZMPFYXHMRW-UHFFFAOYSA-N 0 0 232.352 3.811 20 0 BHADRN CCO[C@H](C)c1nc(C(C)(C)C)c(C)s1 ZINC000864367344 589355667 /nfs/dbraw/zinc/35/56/67/589355667.db2.gz UQIZBICBKRPAES-MRVPVSSYSA-N 0 0 227.373 3.847 20 0 BHADRN CCO[C@@H](C)c1nc(C(C)(C)C)c(C)s1 ZINC000864367345 589355475 /nfs/dbraw/zinc/35/54/75/589355475.db2.gz UQIZBICBKRPAES-QMMMGPOBSA-N 0 0 227.373 3.847 20 0 BHADRN Cc1sc([C@H]2CCCOC2)nc1C(C)(C)C ZINC000864368350 589356016 /nfs/dbraw/zinc/35/60/16/589356016.db2.gz IRUPOLADBBJZPE-JTQLQIEISA-N 0 0 239.384 3.643 20 0 BHADRN Cc1sc([C@@H]2CCCOC2)nc1C(C)(C)C ZINC000864368354 589355796 /nfs/dbraw/zinc/35/57/96/589355796.db2.gz IRUPOLADBBJZPE-SNVBAGLBSA-N 0 0 239.384 3.643 20 0 BHADRN Cc1sc(COC(C)C)nc1C(C)(C)C ZINC000864368378 589355969 /nfs/dbraw/zinc/35/59/69/589355969.db2.gz JCXUBMSYNPBRNS-UHFFFAOYSA-N 0 0 227.373 3.674 20 0 BHADRN CCNc1ccc(-c2nc(C)cs2)cc1 ZINC000864368577 589355763 /nfs/dbraw/zinc/35/57/63/589355763.db2.gz CSAUHIMMWDYBKC-UHFFFAOYSA-N 0 0 218.325 3.550 20 0 BHADRN Cc1sc(C2CCOCC2)nc1C(C)(C)C ZINC000864369049 589355823 /nfs/dbraw/zinc/35/58/23/589355823.db2.gz PWJJVMVSUTUPDP-UHFFFAOYSA-N 0 0 239.384 3.643 20 0 BHADRN Cc1sc([C@H]2CCCO2)nc1C(C)(C)C ZINC000864369749 589356018 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IMTMQJYQIJZEJL-WZUFQYTHSA-N 0 0 221.275 3.505 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1 ZINC000864374074 589356226 /nfs/dbraw/zinc/35/62/26/589356226.db2.gz OILLDGKLHUJFJR-AAVRWANBSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1 ZINC000864374076 589356393 /nfs/dbraw/zinc/35/63/93/589356393.db2.gz OILLDGKLHUJFJR-IGQOVBAYSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1 ZINC000864374078 589356361 /nfs/dbraw/zinc/35/63/61/589356361.db2.gz OILLDGKLHUJFJR-REWJHTLYSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1 ZINC000864374079 589356421 /nfs/dbraw/zinc/35/64/21/589356421.db2.gz OILLDGKLHUJFJR-XJFOESAGSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000864374818 589356232 /nfs/dbraw/zinc/35/62/32/589356232.db2.gz YKHREFXSJUELQB-BBRMVZONSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1ccc(C)c(NC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000864374920 589356564 /nfs/dbraw/zinc/35/65/64/589356564.db2.gz YKHREFXSJUELQB-CZUORRHYSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1ccccc1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000864400949 589358756 /nfs/dbraw/zinc/35/87/56/589358756.db2.gz CHNPFWVZLRPSAP-IUODEOHRSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1ccccc1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000864400955 589358677 /nfs/dbraw/zinc/35/86/77/589358677.db2.gz CHNPFWVZLRPSAP-WFASDCNBSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1cccc(NC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000864401462 589358611 /nfs/dbraw/zinc/35/86/11/589358611.db2.gz HRROXTBBMZUWCV-IUODEOHRSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1cccc(NC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000864401464 589358732 /nfs/dbraw/zinc/35/87/32/589358732.db2.gz HRROXTBBMZUWCV-WFASDCNBSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c(C)c1 ZINC000864401650 589358504 /nfs/dbraw/zinc/35/85/04/589358504.db2.gz CFRKDDGKHJUNSO-FMKGYKFTSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c(C)c1 ZINC000864401652 589358718 /nfs/dbraw/zinc/35/87/18/589358718.db2.gz CFRKDDGKHJUNSO-IGHBBLSQSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c(C)c1 ZINC000864401654 589358716 /nfs/dbraw/zinc/35/87/16/589358716.db2.gz CFRKDDGKHJUNSO-SCUASFONSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c(C)c1 ZINC000864401656 589358569 /nfs/dbraw/zinc/35/85/69/589358569.db2.gz CFRKDDGKHJUNSO-YXCITZCRSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@@]23C[C@@H]2CCCC3)c1C ZINC000864401668 589358682 /nfs/dbraw/zinc/35/86/82/589358682.db2.gz CITPMIZOQQIVLO-BBRMVZONSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1cccc(NC(=O)[C@]23C[C@H]2CCCC3)c1C ZINC000864401672 589358600 /nfs/dbraw/zinc/35/86/00/589358600.db2.gz CITPMIZOQQIVLO-CZUORRHYSA-N 0 0 243.350 3.822 20 0 BHADRN CC/C=C(/F)C(=O)Nc1cccc(C)c1C ZINC000864401697 589358494 /nfs/dbraw/zinc/35/84/94/589358494.db2.gz CUTYHCNLAVKTPS-IZZDOVSWSA-N 0 0 221.275 3.505 20 0 BHADRN CC/C=C(\F)C(=O)Nc1cccc(C)c1C ZINC000864401698 589358748 /nfs/dbraw/zinc/35/87/48/589358748.db2.gz CUTYHCNLAVKTPS-WDZFZDKYSA-N 0 0 221.275 3.505 20 0 BHADRN CCOCCCCCC(=O)Nc1cccc(C)c1 ZINC000864401795 589358598 /nfs/dbraw/zinc/35/85/98/589358598.db2.gz KRNNUJKNRCRDCR-UHFFFAOYSA-N 0 0 249.354 3.530 20 0 BHADRN CCOCCCCCC(=O)Nc1ccccc1C ZINC000864401994 589358553 /nfs/dbraw/zinc/35/85/53/589358553.db2.gz MMLCQWMFXHOXEB-UHFFFAOYSA-N 0 0 249.354 3.530 20 0 BHADRN Cc1ccccc1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000864402482 589358583 /nfs/dbraw/zinc/35/85/83/589358583.db2.gz TZMSJYZOXWMVLD-VXGBXAGGSA-N 0 0 231.339 3.616 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1C ZINC000864402544 589358790 /nfs/dbraw/zinc/35/87/90/589358790.db2.gz PDRFCOBQVUVRLI-FMKGYKFTSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1C ZINC000864402545 589358638 /nfs/dbraw/zinc/35/86/38/589358638.db2.gz PDRFCOBQVUVRLI-IGHBBLSQSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1C ZINC000864402546 589358567 /nfs/dbraw/zinc/35/85/67/589358567.db2.gz PDRFCOBQVUVRLI-SCUASFONSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1C ZINC000864402547 589358784 /nfs/dbraw/zinc/35/87/84/589358784.db2.gz PDRFCOBQVUVRLI-YXCITZCRSA-N 0 0 243.350 3.534 20 0 BHADRN CC/C=C(/F)C(=O)Nc1ccc(C)cc1C ZINC000864403524 589358506 /nfs/dbraw/zinc/35/85/06/589358506.db2.gz CARNJWGGYGWCGF-VZUCSPMQSA-N 0 0 221.275 3.505 20 0 BHADRN CC/C=C(\F)C(=O)Nc1ccc(C)cc1C ZINC000864403526 589358720 /nfs/dbraw/zinc/35/87/20/589358720.db2.gz CARNJWGGYGWCGF-WZUFQYTHSA-N 0 0 221.275 3.505 20 0 BHADRN Cc1ccc(NC(=O)[C@@]23C[C@@H]2CCCC3)c(C)c1 ZINC000864403738 589358689 /nfs/dbraw/zinc/35/86/89/589358689.db2.gz FXERNXIZLIUTAL-BBRMVZONSA-N 0 0 243.350 3.822 20 0 BHADRN Cc1ccc(NC(=O)[C@]23C[C@H]2CCCC3)c(C)c1 ZINC000864403740 589358739 /nfs/dbraw/zinc/35/87/39/589358739.db2.gz FXERNXIZLIUTAL-CZUORRHYSA-N 0 0 243.350 3.822 20 0 BHADRN O=C(Nc1ccccc1Cl)[C@@]12C[C@@H]1CCCC2 ZINC000864404946 589358516 /nfs/dbraw/zinc/35/85/16/589358516.db2.gz USLQRGKWTWGEJN-HZMBPMFUSA-N 0 0 249.741 3.859 20 0 BHADRN O=C(Nc1ccccc1Cl)[C@]12C[C@H]1CCCC2 ZINC000864404948 589358474 /nfs/dbraw/zinc/35/84/74/589358474.db2.gz USLQRGKWTWGEJN-QMTHXVAHSA-N 0 0 249.741 3.859 20 0 BHADRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1ccccc1Cl ZINC000864405089 589358478 /nfs/dbraw/zinc/35/84/78/589358478.db2.gz ZWKYAVUPADUZLF-LMLFDSFASA-N 0 0 249.741 3.571 20 0 BHADRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1Cl ZINC000864405090 589358586 /nfs/dbraw/zinc/35/85/86/589358586.db2.gz ZWKYAVUPADUZLF-RCWTZXSCSA-N 0 0 249.741 3.571 20 0 BHADRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ccccc1Cl ZINC000864405091 589358561 /nfs/dbraw/zinc/35/85/61/589358561.db2.gz ZWKYAVUPADUZLF-VPOLOUISSA-N 0 0 249.741 3.571 20 0 BHADRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl ZINC000864405092 589358809 /nfs/dbraw/zinc/35/88/09/589358809.db2.gz ZWKYAVUPADUZLF-YTWAJWBKSA-N 0 0 249.741 3.571 20 0 BHADRN CCOCCCCCC(=O)Nc1ccc(C)cc1 ZINC000864405716 589358970 /nfs/dbraw/zinc/35/89/70/589358970.db2.gz FCMPAVGLFWEJIO-UHFFFAOYSA-N 0 0 249.354 3.530 20 0 BHADRN Cc1ccc(NC(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC000864405816 589359049 /nfs/dbraw/zinc/35/90/49/589359049.db2.gz GVVGAOMUPOWJTD-IUODEOHRSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1ccc(NC(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC000864405821 589359176 /nfs/dbraw/zinc/35/91/76/589359176.db2.gz GVVGAOMUPOWJTD-WFASDCNBSA-N 0 0 229.323 3.514 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000864433894 589363067 /nfs/dbraw/zinc/36/30/67/589363067.db2.gz UYMDGDILZPNAPK-IAQYHMDHSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1ccc(F)cc1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000864433895 589362840 /nfs/dbraw/zinc/36/28/40/589362840.db2.gz UYMDGDILZPNAPK-NHYWBVRUSA-N 0 0 247.313 3.653 20 0 BHADRN C[C@@H](C[S@@](=O)Cc1ccccc1)C(C)(C)C ZINC000864460178 589368960 /nfs/dbraw/zinc/36/89/60/589368960.db2.gz HDLRFJCSJQZQBX-BLLLJJGKSA-N 0 0 238.396 3.618 20 0 BHADRN C[C@@H](C[S@](=O)Cc1ccccc1)C(C)(C)C ZINC000864460179 584006757 /nfs/dbraw/zinc/00/67/57/584006757.db2.gz HDLRFJCSJQZQBX-LRDDRELGSA-N 0 0 238.396 3.618 20 0 BHADRN C[C@H](C[S@@](=O)Cc1ccccc1)C(C)(C)C ZINC000864460180 584006845 /nfs/dbraw/zinc/00/68/45/584006845.db2.gz HDLRFJCSJQZQBX-MLGOLLRUSA-N 0 0 238.396 3.618 20 0 BHADRN C[C@H](C[S@](=O)Cc1ccccc1)C(C)(C)C ZINC000864460181 584006756 /nfs/dbraw/zinc/00/67/56/584006756.db2.gz HDLRFJCSJQZQBX-WBMJQRKESA-N 0 0 238.396 3.618 20 0 BHADRN O=[S@@](Cc1ccccc1)CC1CC2(CCC2)C1 ZINC000864470841 589373139 /nfs/dbraw/zinc/37/31/39/589373139.db2.gz REFDVDQHECIKGZ-KRWDZBQOSA-N 0 0 248.391 3.516 20 0 BHADRN O=[S@](Cc1ccccc1)CC1CC2(CCC2)C1 ZINC000864470842 589373237 /nfs/dbraw/zinc/37/32/37/589373237.db2.gz REFDVDQHECIKGZ-QGZVFWFLSA-N 0 0 248.391 3.516 20 0 BHADRN Cc1ccc([S@@](=O)CC2CC3(CCC3)C2)cc1 ZINC000864470847 589373372 /nfs/dbraw/zinc/37/33/72/589373372.db2.gz REVDZWTZVSHUCH-KRWDZBQOSA-N 0 0 248.391 3.683 20 0 BHADRN Cc1ccc([S@](=O)CC2CC3(CCC3)C2)cc1 ZINC000864470848 636784338 /nfs/dbraw/zinc/78/43/38/636784338.db2.gz REVDZWTZVSHUCH-QGZVFWFLSA-N 0 0 248.391 3.683 20 0 BHADRN C[C@@H](C[S@](=O)C1CCCC1)CC(C)(C)C ZINC000864471203 589373416 /nfs/dbraw/zinc/37/34/16/589373416.db2.gz ZICCYDHOFHCNRA-ABAIWWIYSA-N 0 0 230.417 3.750 20 0 BHADRN C[C@@H](C[S@@](=O)C1CCCC1)CC(C)(C)C ZINC000864471204 589373267 /nfs/dbraw/zinc/37/32/67/589373267.db2.gz ZICCYDHOFHCNRA-IAQYHMDHSA-N 0 0 230.417 3.750 20 0 BHADRN C[C@H](C[S@](=O)C1CCCC1)CC(C)(C)C ZINC000864471205 589373256 /nfs/dbraw/zinc/37/32/56/589373256.db2.gz ZICCYDHOFHCNRA-NHYWBVRUSA-N 0 0 230.417 3.750 20 0 BHADRN C[C@H](C[S@@](=O)C1CCCC1)CC(C)(C)C ZINC000864471206 589373462 /nfs/dbraw/zinc/37/34/62/589373462.db2.gz ZICCYDHOFHCNRA-XHDPSFHLSA-N 0 0 230.417 3.750 20 0 BHADRN CCC(CC)[S@@](=O)CC1CC2(CCC2)C1 ZINC000864471397 589373153 /nfs/dbraw/zinc/37/31/53/589373153.db2.gz DECJQJKNBZCQSZ-HNNXBMFYSA-N 0 0 228.401 3.504 20 0 BHADRN CCC(CC)[S@](=O)CC1CC2(CCC2)C1 ZINC000864471398 589373417 /nfs/dbraw/zinc/37/34/17/589373417.db2.gz DECJQJKNBZCQSZ-OAHLLOKOSA-N 0 0 228.401 3.504 20 0 BHADRN Cc1ccccc1[S@@](=O)CC1CC2(CCC2)C1 ZINC000864471588 589373361 /nfs/dbraw/zinc/37/33/61/589373361.db2.gz FQONZBNBIACLAZ-KRWDZBQOSA-N 0 0 248.391 3.683 20 0 BHADRN Cc1ccccc1[S@](=O)CC1CC2(CCC2)C1 ZINC000864471589 589373437 /nfs/dbraw/zinc/37/34/37/589373437.db2.gz FQONZBNBIACLAZ-QGZVFWFLSA-N 0 0 248.391 3.683 20 0 BHADRN Cc1cccc([S@@](=O)CC2CC3(CCC3)C2)c1 ZINC000864472099 589373378 /nfs/dbraw/zinc/37/33/78/589373378.db2.gz MMDJBXVKICZIAH-KRWDZBQOSA-N 0 0 248.391 3.683 20 0 BHADRN Cc1cccc([S@](=O)CC2CC3(CCC3)C2)c1 ZINC000864472101 589373190 /nfs/dbraw/zinc/37/31/90/589373190.db2.gz MMDJBXVKICZIAH-QGZVFWFLSA-N 0 0 248.391 3.683 20 0 BHADRN CCC(CC)[S@@](=O)C[C@H](C)C(C)(C)C ZINC000864472379 589373418 /nfs/dbraw/zinc/37/34/18/589373418.db2.gz PMEFRLGSIBZXDB-HZMBPMFUSA-N 0 0 218.406 3.606 20 0 BHADRN CCC(CC)[S@](=O)C[C@H](C)C(C)(C)C ZINC000864472387 589373447 /nfs/dbraw/zinc/37/34/47/589373447.db2.gz PMEFRLGSIBZXDB-IINYFYTJSA-N 0 0 218.406 3.606 20 0 BHADRN CCC(CC)[S@](=O)C[C@@H](C)C(C)(C)C ZINC000864472388 589373275 /nfs/dbraw/zinc/37/32/75/589373275.db2.gz PMEFRLGSIBZXDB-QMTHXVAHSA-N 0 0 218.406 3.606 20 0 BHADRN CCC(CC)[S@@](=O)C[C@@H](C)C(C)(C)C ZINC000864472389 589373433 /nfs/dbraw/zinc/37/34/33/589373433.db2.gz PMEFRLGSIBZXDB-YGRLFVJLSA-N 0 0 218.406 3.606 20 0 BHADRN C[C@H](C[S@](=O)C1CCCCC1)C(C)(C)C ZINC000864474537 589373333 /nfs/dbraw/zinc/37/33/33/589373333.db2.gz JOYBBKDITITISK-ABAIWWIYSA-N 0 0 230.417 3.750 20 0 BHADRN C[C@H](C[S@@](=O)C1CCCCC1)C(C)(C)C ZINC000864474539 589373192 /nfs/dbraw/zinc/37/31/92/589373192.db2.gz JOYBBKDITITISK-IAQYHMDHSA-N 0 0 230.417 3.750 20 0 BHADRN C[C@@H](C[S@](=O)C1CCCCC1)C(C)(C)C ZINC000864474541 589373294 /nfs/dbraw/zinc/37/32/94/589373294.db2.gz JOYBBKDITITISK-NHYWBVRUSA-N 0 0 230.417 3.750 20 0 BHADRN C[C@@H](C[S@@](=O)C1CCCCC1)C(C)(C)C ZINC000864474628 589373438 /nfs/dbraw/zinc/37/34/38/589373438.db2.gz JOYBBKDITITISK-XHDPSFHLSA-N 0 0 230.417 3.750 20 0 BHADRN C[C@@H](C[S@@](=O)c1cccs1)C(C)(C)C ZINC000864475124 589373554 /nfs/dbraw/zinc/37/35/54/589373554.db2.gz WDECCEHTLWVZRU-LKFCYVNXSA-N 0 0 230.398 3.538 20 0 BHADRN C[C@H](C[S@](=O)c1cccs1)C(C)(C)C ZINC000864475129 589373892 /nfs/dbraw/zinc/37/38/92/589373892.db2.gz WDECCEHTLWVZRU-OTYXRUKQSA-N 0 0 230.398 3.538 20 0 BHADRN C[C@@H](C[S@](=O)c1cccs1)C(C)(C)C ZINC000864475131 589373595 /nfs/dbraw/zinc/37/35/95/589373595.db2.gz WDECCEHTLWVZRU-XPTSAGLGSA-N 0 0 230.398 3.538 20 0 BHADRN C[C@H](C[S@@](=O)c1cccs1)C(C)(C)C ZINC000864475132 589373779 /nfs/dbraw/zinc/37/37/79/589373779.db2.gz WDECCEHTLWVZRU-YMTOWFKASA-N 0 0 230.398 3.538 20 0 BHADRN O=[S@@](CC1CC2(CCC2)C1)C1CCCCC1 ZINC000864475826 589373825 /nfs/dbraw/zinc/37/38/25/589373825.db2.gz WPZSLMWWIKWBHI-INIZCTEOSA-N 0 0 240.412 3.648 20 0 BHADRN O=[S@](CC1CC2(CCC2)C1)C1CCCCC1 ZINC000864475827 589373795 /nfs/dbraw/zinc/37/37/95/589373795.db2.gz WPZSLMWWIKWBHI-MRXNPFEDSA-N 0 0 240.412 3.648 20 0 BHADRN CC(C)C(C)(C)[S@@](=O)CC1CC2(CCC2)C1 ZINC000864476473 589373578 /nfs/dbraw/zinc/37/35/78/589373578.db2.gz NSCQTNGORLJBDF-INIZCTEOSA-N 0 0 242.428 3.750 20 0 BHADRN CC(C)C(C)(C)[S@](=O)CC1CC2(CCC2)C1 ZINC000864476474 589373646 /nfs/dbraw/zinc/37/36/46/589373646.db2.gz NSCQTNGORLJBDF-MRXNPFEDSA-N 0 0 242.428 3.750 20 0 BHADRN CCCCC[S@](=O)CC1CC2(CCC2)C1 ZINC000864476962 589373784 /nfs/dbraw/zinc/37/37/84/589373784.db2.gz WARMWIYWLIHUIS-HNNXBMFYSA-N 0 0 228.401 3.506 20 0 BHADRN CCCCC[S@@](=O)CC1CC2(CCC2)C1 ZINC000864476963 589373815 /nfs/dbraw/zinc/37/38/15/589373815.db2.gz WARMWIYWLIHUIS-OAHLLOKOSA-N 0 0 228.401 3.506 20 0 BHADRN CCC[C@H](CC)[S@@](=O)CC1CC2(CCC2)C1 ZINC000864477676 589373708 /nfs/dbraw/zinc/37/37/08/589373708.db2.gz KIJYTYXHPXKWLI-BBRMVZONSA-N 0 0 242.428 3.894 20 0 BHADRN CCC[C@@H](CC)[S@@](=O)CC1CC2(CCC2)C1 ZINC000864477677 589373670 /nfs/dbraw/zinc/37/36/70/589373670.db2.gz KIJYTYXHPXKWLI-CJNGLKHVSA-N 0 0 242.428 3.894 20 0 BHADRN CCC[C@@H](CC)[S@](=O)CC1CC2(CCC2)C1 ZINC000864477678 589373864 /nfs/dbraw/zinc/37/38/64/589373864.db2.gz KIJYTYXHPXKWLI-CZUORRHYSA-N 0 0 242.428 3.894 20 0 BHADRN CCC[C@H](CC)[S@](=O)CC1CC2(CCC2)C1 ZINC000864477679 589373759 /nfs/dbraw/zinc/37/37/59/589373759.db2.gz KIJYTYXHPXKWLI-XJKSGUPXSA-N 0 0 242.428 3.894 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000864485368 589373999 /nfs/dbraw/zinc/37/39/99/589373999.db2.gz QOIPCBOUPYFEDO-IAQYHMDHSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1cc(F)ccc1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000864485369 589374192 /nfs/dbraw/zinc/37/41/92/589374192.db2.gz QOIPCBOUPYFEDO-NHYWBVRUSA-N 0 0 247.313 3.653 20 0 BHADRN c1cc(C2CC2)sc1-c1ccncc1 ZINC000864532408 589375676 /nfs/dbraw/zinc/37/56/76/589375676.db2.gz GIMXAIOHUWCRGG-UHFFFAOYSA-N 0 0 201.294 3.688 20 0 BHADRN CCn1nccc1-c1cscc1C(F)F ZINC000864534170 589375738 /nfs/dbraw/zinc/37/57/38/589375738.db2.gz YZZHMMNLXPXLJA-UHFFFAOYSA-N 0 0 228.267 3.569 20 0 BHADRN Cn1ncc(-c2ccc3c(c2)CCC3)c1C(F)F ZINC000864534549 589375537 /nfs/dbraw/zinc/37/55/37/589375537.db2.gz BWTBODZHWPGSDV-UHFFFAOYSA-N 0 0 248.276 3.513 20 0 BHADRN CC(C)c1csc(-c2cn(C)nc2C(C)C)n1 ZINC000864535235 589376050 /nfs/dbraw/zinc/37/60/50/589376050.db2.gz CPNRDBIUVUBYBS-UHFFFAOYSA-N 0 0 249.383 3.790 20 0 BHADRN Clc1ccc(-c2ccnc3c2CCCC3)cn1 ZINC000864535300 589376008 /nfs/dbraw/zinc/37/60/08/589376008.db2.gz RZRFZOYQPOJJPU-UHFFFAOYSA-N 0 0 244.725 3.676 20 0 BHADRN Clc1cc(-c2ccnc3c2CCCC3)ccn1 ZINC000864535445 589375966 /nfs/dbraw/zinc/37/59/66/589375966.db2.gz UBJDLHYUDSUBKN-UHFFFAOYSA-N 0 0 244.725 3.676 20 0 BHADRN C[C@H](NC(=O)[C@]12C[C@H]1CCCC2)c1cccs1 ZINC000864536029 589376135 /nfs/dbraw/zinc/37/61/35/589376135.db2.gz SHBRBEOUFWWHLU-MISXGVKJSA-N 0 0 249.379 3.506 20 0 BHADRN C[C@H](NC(=O)[C@@]12C[C@@H]1CCCC2)c1cccs1 ZINC000864536030 589376198 /nfs/dbraw/zinc/37/61/98/589376198.db2.gz SHBRBEOUFWWHLU-MJVIPROJSA-N 0 0 249.379 3.506 20 0 BHADRN CCc1ccc(-c2cnn(C)c2C(F)F)cc1 ZINC000864537092 589376597 /nfs/dbraw/zinc/37/65/97/589376597.db2.gz DMJFTNYYZCYIMB-UHFFFAOYSA-N 0 0 236.265 3.587 20 0 BHADRN Cc1noc(C)c1-c1ccc(C2CC2)s1 ZINC000864537367 589376426 /nfs/dbraw/zinc/37/64/26/589376426.db2.gz GJCKUFKSALETAW-UHFFFAOYSA-N 0 0 219.309 3.897 20 0 BHADRN Clc1cnccc1-c1ccnc2c1CCCC2 ZINC000864537376 589376603 /nfs/dbraw/zinc/37/66/03/589376603.db2.gz GNUGQYYMLNPHOY-UHFFFAOYSA-N 0 0 244.725 3.676 20 0 BHADRN c1cc(C2CC2)sc1-c1cccnc1 ZINC000864537421 589376375 /nfs/dbraw/zinc/37/63/75/589376375.db2.gz HVUWOWHOISTWFC-UHFFFAOYSA-N 0 0 201.294 3.688 20 0 BHADRN Cc1ccc(-c2nc(C(C)C)cs2)cn1 ZINC000864537639 589376643 /nfs/dbraw/zinc/37/66/43/589376643.db2.gz GNZSJGYWSBFZHL-UHFFFAOYSA-N 0 0 218.325 3.637 20 0 BHADRN Cc1ccc(C)c(-c2cnn(C)c2C(F)F)c1 ZINC000864537793 589376486 /nfs/dbraw/zinc/37/64/86/589376486.db2.gz NPWPLABDQATEFS-UHFFFAOYSA-N 0 0 236.265 3.642 20 0 BHADRN Cc1ccc(-c2cnn(C)c2C(F)F)cc1C ZINC000864541186 589376806 /nfs/dbraw/zinc/37/68/06/589376806.db2.gz FKGGVGPUKWHZIS-UHFFFAOYSA-N 0 0 236.265 3.642 20 0 BHADRN Cn1ncc(-c2cccc3c2CCC3)c1C(F)F ZINC000864541775 589377362 /nfs/dbraw/zinc/37/73/62/589377362.db2.gz DKAYOWWIYPRTHU-UHFFFAOYSA-N 0 0 248.276 3.513 20 0 BHADRN Cc1cnc(F)cc1-c1nc(C(C)C)cs1 ZINC000864541974 589377372 /nfs/dbraw/zinc/37/73/72/589377372.db2.gz ZAXLZKMASMQFAV-UHFFFAOYSA-N 0 0 236.315 3.776 20 0 BHADRN Cc1cocc1-c1ncc(C(F)(F)F)cc1C ZINC000864542259 589377312 /nfs/dbraw/zinc/37/73/12/589377312.db2.gz DQGKVFKWUUPEHV-UHFFFAOYSA-N 0 0 241.212 3.977 20 0 BHADRN O=c1[nH]cc(-c2ccc(C3CC3)s2)cc1F ZINC000864543418 589377129 /nfs/dbraw/zinc/37/71/29/589377129.db2.gz VPFGAFDNRHPGSL-UHFFFAOYSA-N 0 0 235.283 3.532 20 0 BHADRN Cc1cocc1-c1ccnc2c1CCCC2 ZINC000864543463 589377184 /nfs/dbraw/zinc/37/71/84/589377184.db2.gz XCUMYARHAJHZRX-UHFFFAOYSA-N 0 0 213.280 3.529 20 0 BHADRN CSc1ccccc1-c1cnc(C2CC2)o1 ZINC000864543619 589377382 /nfs/dbraw/zinc/37/73/82/589377382.db2.gz BOWKCBJQXYTFQD-UHFFFAOYSA-N 0 0 231.320 3.941 20 0 BHADRN CCn1nc(C)cc1-c1cscc1C(F)F ZINC000864543942 589377290 /nfs/dbraw/zinc/37/72/90/589377290.db2.gz GFSIDXYKUFLZDY-UHFFFAOYSA-N 0 0 242.294 3.878 20 0 BHADRN CC(C)c1csc(-c2cnc(C3CC3)o2)n1 ZINC000864544545 589377495 /nfs/dbraw/zinc/37/74/95/589377495.db2.gz UGTTWDMEJJVYLT-UHFFFAOYSA-N 0 0 234.324 3.799 20 0 BHADRN Cc1c(F)nccc1-c1nc(C(C)C)cs1 ZINC000864545130 589377803 /nfs/dbraw/zinc/37/78/03/589377803.db2.gz COMMMTDDWZVKDP-UHFFFAOYSA-N 0 0 236.315 3.776 20 0 BHADRN CSc1cc(-c2c(C)n[nH]c2C)ccc1F ZINC000864545977 589377833 /nfs/dbraw/zinc/37/78/33/589377833.db2.gz CPOBNHFDKSSSML-UHFFFAOYSA-N 0 0 236.315 3.555 20 0 BHADRN CSc1cc(-c2c(C)noc2C)ccc1F ZINC000864547154 589377829 /nfs/dbraw/zinc/37/78/29/589377829.db2.gz OJABKWDYHHHPJO-UHFFFAOYSA-N 0 0 237.299 3.819 20 0 BHADRN CC(C)c1cnc(-c2ccc([C@H](C)O)cc2)s1 ZINC000864548532 589377697 /nfs/dbraw/zinc/37/76/97/589377697.db2.gz BTUDGOKCSKQHSD-JTQLQIEISA-N 0 0 247.363 3.987 20 0 BHADRN CC(C)c1cnc(-c2ccc([C@@H](C)O)cc2)s1 ZINC000864548533 589377620 /nfs/dbraw/zinc/37/76/20/589377620.db2.gz BTUDGOKCSKQHSD-SNVBAGLBSA-N 0 0 247.363 3.987 20 0 BHADRN CC(C)c1csc(-c2ccc([C@H](C)O)cc2)n1 ZINC000864548548 589377645 /nfs/dbraw/zinc/37/76/45/589377645.db2.gz CFJQEZYOMBATEI-JTQLQIEISA-N 0 0 247.363 3.987 20 0 BHADRN CC(C)c1csc(-c2ccc([C@@H](C)O)cc2)n1 ZINC000864548549 589377519 /nfs/dbraw/zinc/37/75/19/589377519.db2.gz CFJQEZYOMBATEI-SNVBAGLBSA-N 0 0 247.363 3.987 20 0 BHADRN C[C@@H](O)c1ccc(-c2nc(C3CC3)cs2)cc1 ZINC000864548723 589377592 /nfs/dbraw/zinc/37/75/92/589377592.db2.gz FPRXPFMEYNAEKT-SECBINFHSA-N 0 0 245.347 3.741 20 0 BHADRN C[C@H](O)c1ccc(-c2nc(C3CC3)cs2)cc1 ZINC000864548724 589377668 /nfs/dbraw/zinc/37/76/68/589377668.db2.gz FPRXPFMEYNAEKT-VIFPVBQESA-N 0 0 245.347 3.741 20 0 BHADRN CC[C@@H](C)n1cc(-c2ccc([C@H](C)O)cc2)cn1 ZINC000864549872 589378038 /nfs/dbraw/zinc/37/80/38/589378038.db2.gz KIGZKBQQTUTNOM-NEPJUHHUSA-N 0 0 244.338 3.574 20 0 BHADRN CC[C@H](C)n1cc(-c2ccc([C@@H](C)O)cc2)cn1 ZINC000864549873 589378203 /nfs/dbraw/zinc/37/82/03/589378203.db2.gz KIGZKBQQTUTNOM-NWDGAFQWSA-N 0 0 244.338 3.574 20 0 BHADRN CC[C@H](C)n1cc(-c2ccc([C@H](C)O)cc2)cn1 ZINC000864549874 589378036 /nfs/dbraw/zinc/37/80/36/589378036.db2.gz KIGZKBQQTUTNOM-RYUDHWBXSA-N 0 0 244.338 3.574 20 0 BHADRN CC[C@@H](C)n1cc(-c2ccc([C@@H](C)O)cc2)cn1 ZINC000864549875 589378017 /nfs/dbraw/zinc/37/80/17/589378017.db2.gz KIGZKBQQTUTNOM-VXGBXAGGSA-N 0 0 244.338 3.574 20 0 BHADRN COCc1ccccc1-c1ccc([C@@H](C)O)cc1 ZINC000864550300 589378227 /nfs/dbraw/zinc/37/82/27/589378227.db2.gz QQQHNVXHQWJCIF-GFCCVEGCSA-N 0 0 242.318 3.553 20 0 BHADRN COCc1ccccc1-c1ccc([C@H](C)O)cc1 ZINC000864550301 589378070 /nfs/dbraw/zinc/37/80/70/589378070.db2.gz QQQHNVXHQWJCIF-LBPRGKRZSA-N 0 0 242.318 3.553 20 0 BHADRN O=C(NCCC1=CCCCC1)[C@]12C[C@H]1CCCC2 ZINC000864561743 589378923 /nfs/dbraw/zinc/37/89/23/589378923.db2.gz ZWAIHYUDJUNCNN-GDBMZVCRSA-N 0 0 247.382 3.573 20 0 BHADRN O=C(NCCC1=CCCCC1)[C@@]12C[C@@H]1CCCC2 ZINC000864561745 589378840 /nfs/dbraw/zinc/37/88/40/589378840.db2.gz ZWAIHYUDJUNCNN-HOCLYGCPSA-N 0 0 247.382 3.573 20 0 BHADRN Cc1ccc(NC(=O)[C@]23C[C@H]2CCCC3)c(F)c1 ZINC000864628098 589385324 /nfs/dbraw/zinc/38/53/24/589385324.db2.gz ASOVGDLJQSRWGN-IAQYHMDHSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1ccc(NC(=O)[C@@]23C[C@@H]2CCCC3)c(F)c1 ZINC000864628099 589385453 /nfs/dbraw/zinc/38/54/53/589385453.db2.gz ASOVGDLJQSRWGN-NHYWBVRUSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000864628760 589385270 /nfs/dbraw/zinc/38/52/70/589385270.db2.gz NOPLINIGXSRQPY-IAQYHMDHSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1ccc(F)c(NC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000864628761 589385329 /nfs/dbraw/zinc/38/53/29/589385329.db2.gz NOPLINIGXSRQPY-NHYWBVRUSA-N 0 0 247.313 3.653 20 0 BHADRN CC/C=C(/F)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000864663335 589388725 /nfs/dbraw/zinc/38/87/25/589388725.db2.gz AKMPGYZLQSWCDP-GUNGLEHYSA-N 0 0 247.313 3.614 20 0 BHADRN CC/C=C(\F)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000864663336 589388758 /nfs/dbraw/zinc/38/87/58/589388758.db2.gz AKMPGYZLQSWCDP-LVOZBFFPSA-N 0 0 247.313 3.614 20 0 BHADRN CC/C=C(\F)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000864663337 589388400 /nfs/dbraw/zinc/38/84/00/589388400.db2.gz AKMPGYZLQSWCDP-SVSAJMPUSA-N 0 0 247.313 3.614 20 0 BHADRN CC/C=C(/F)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000864663338 589388469 /nfs/dbraw/zinc/38/84/69/589388469.db2.gz AKMPGYZLQSWCDP-WTWVRAIASA-N 0 0 247.313 3.614 20 0 BHADRN CC/C=C(/F)C(=O)Nc1ccccc1SC ZINC000864675726 589388841 /nfs/dbraw/zinc/38/88/41/589388841.db2.gz RZULWQANCJJDKM-RMKNXTFCSA-N 0 0 239.315 3.610 20 0 BHADRN CC/C=C(\F)C(=O)Nc1ccccc1SC ZINC000864675727 589388834 /nfs/dbraw/zinc/38/88/34/589388834.db2.gz RZULWQANCJJDKM-TWGQIWQCSA-N 0 0 239.315 3.610 20 0 BHADRN CC(C)c1ccccc1C(=O)N(C)[C@H](C)C1CC1 ZINC000864688214 589389981 /nfs/dbraw/zinc/38/99/81/589389981.db2.gz XTQIBOJHZHVSFU-GFCCVEGCSA-N 0 0 245.366 3.681 20 0 BHADRN CC(C)c1ccccc1C(=O)N(C)[C@@H](C)C1CC1 ZINC000864688216 589389881 /nfs/dbraw/zinc/38/98/81/589389881.db2.gz XTQIBOJHZHVSFU-LBPRGKRZSA-N 0 0 245.366 3.681 20 0 BHADRN CCCCCCNC(=O)c1cscc1Cl ZINC000864689052 589390035 /nfs/dbraw/zinc/39/00/35/589390035.db2.gz CJCFEWICSZCWSZ-UHFFFAOYSA-N 0 0 245.775 3.712 20 0 BHADRN CCCCC[C@H](C)NC(=O)C1(C(F)F)CCC1 ZINC000864767459 589393366 /nfs/dbraw/zinc/39/33/66/589393366.db2.gz QNLJUUBZOCSMFN-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC[C@@H](C)NC(=O)C1(C(F)F)CCC1 ZINC000864767460 589393520 /nfs/dbraw/zinc/39/35/20/589393520.db2.gz QNLJUUBZOCSMFN-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CC/C=C(/F)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000864793535 589394285 /nfs/dbraw/zinc/39/42/85/589394285.db2.gz BHTUTXVVEDBBJY-ACLQVGRQSA-N 0 0 249.329 3.778 20 0 BHADRN CC/C=C(\F)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000864793536 589394604 /nfs/dbraw/zinc/39/46/04/589394604.db2.gz BHTUTXVVEDBBJY-QENILXLESA-N 0 0 249.329 3.778 20 0 BHADRN CC/C=C(\F)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000864793537 589394408 /nfs/dbraw/zinc/39/44/08/589394408.db2.gz BHTUTXVVEDBBJY-UGMNDJHYSA-N 0 0 249.329 3.778 20 0 BHADRN CC/C=C(/F)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000864793538 589394618 /nfs/dbraw/zinc/39/46/18/589394618.db2.gz BHTUTXVVEDBBJY-ZBQKXELDSA-N 0 0 249.329 3.778 20 0 BHADRN CC/C=C(/F)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000864910386 589400742 /nfs/dbraw/zinc/40/07/42/589400742.db2.gz INSLRLXRLGGMSC-CMWXKVOJSA-N 0 0 241.331 3.531 20 0 BHADRN CC/C=C(\F)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000864910387 589400729 /nfs/dbraw/zinc/40/07/29/589400729.db2.gz INSLRLXRLGGMSC-LKJZUNMESA-N 0 0 241.331 3.531 20 0 BHADRN CC/C=C(\F)C(=O)N(C)[C@H](C)c1cccs1 ZINC000864910388 589400533 /nfs/dbraw/zinc/40/05/33/589400533.db2.gz INSLRLXRLGGMSC-WPVMNKCKSA-N 0 0 241.331 3.531 20 0 BHADRN CC/C=C(/F)C(=O)N(C)[C@H](C)c1cccs1 ZINC000864910389 589400731 /nfs/dbraw/zinc/40/07/31/589400731.db2.gz INSLRLXRLGGMSC-ZFZMKPAXSA-N 0 0 241.331 3.531 20 0 BHADRN CCCc1ccc(C(=O)N(CC)C(C)C)s1 ZINC000864951964 589402212 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242.388 3.547 20 0 BHADRN c1ncc(CCSCCCC2CC2)s1 ZINC000865287365 589419082 /nfs/dbraw/zinc/41/90/82/589419082.db2.gz ALDJVYCFJDVAPC-UHFFFAOYSA-N 0 0 227.398 3.609 20 0 BHADRN Cc1nnc([C@H](C)SC[C@@H](C)C(C)(C)C)o1 ZINC000865287630 589419667 /nfs/dbraw/zinc/41/96/67/589419667.db2.gz QMMMUZPICDHLIV-BDAKNGLRSA-N 0 0 242.388 3.854 20 0 BHADRN Cc1nnc([C@@H](C)SC[C@H](C)C(C)(C)C)o1 ZINC000865287631 589419508 /nfs/dbraw/zinc/41/95/08/589419508.db2.gz QMMMUZPICDHLIV-DTWKUNHWSA-N 0 0 242.388 3.854 20 0 BHADRN CC(C)(C)SCCCSC[C@@H]1CCOC1 ZINC000865287685 589419773 /nfs/dbraw/zinc/41/97/73/589419773.db2.gz LYHHBZPEUQGKQF-LLVKDONJSA-N 0 0 248.457 3.678 20 0 BHADRN CC(C)(C)SCCCSC[C@H]1CCOC1 ZINC000865287686 589419717 /nfs/dbraw/zinc/41/97/17/589419717.db2.gz LYHHBZPEUQGKQF-NSHDSACASA-N 0 0 248.457 3.678 20 0 BHADRN CC(C)c1nnc(CSCCCC2CC2)o1 ZINC000865288028 589419660 /nfs/dbraw/zinc/41/96/60/589419660.db2.gz GUBGIOCQURINBB-UHFFFAOYSA-N 0 0 240.372 3.616 20 0 BHADRN Cc1cnc([C@H](C)SCCCC2CC2)o1 ZINC000865288295 589419696 /nfs/dbraw/zinc/41/96/96/589419696.db2.gz JYPCBBXCFHNFIB-JTQLQIEISA-N 0 0 225.357 3.967 20 0 BHADRN Cc1cnc([C@@H](C)SCCCC2CC2)o1 ZINC000865288297 589419727 /nfs/dbraw/zinc/41/97/27/589419727.db2.gz JYPCBBXCFHNFIB-SNVBAGLBSA-N 0 0 225.357 3.967 20 0 BHADRN c1ccc(CCSCCCC2CC2)nc1 ZINC000865288581 589419596 /nfs/dbraw/zinc/41/95/96/589419596.db2.gz OMDHMLXJUGROMU-UHFFFAOYSA-N 0 0 221.369 3.548 20 0 BHADRN CCc1noc([C@@H](C)SCCCC2CC2)n1 ZINC000865288800 589419751 /nfs/dbraw/zinc/41/97/51/589419751.db2.gz SLRSNUBFBVWUNV-SECBINFHSA-N 0 0 240.372 3.616 20 0 BHADRN CCc1noc([C@H](C)SCCCC2CC2)n1 ZINC000865288802 589419930 /nfs/dbraw/zinc/41/99/30/589419930.db2.gz SLRSNUBFBVWUNV-VIFPVBQESA-N 0 0 240.372 3.616 20 0 BHADRN c1cncc(CCSCCCC2CC2)c1 ZINC000865288833 589419885 /nfs/dbraw/zinc/41/98/85/589419885.db2.gz UBJLYAQSTCZBCO-UHFFFAOYSA-N 0 0 221.369 3.548 20 0 BHADRN CCc1cnc(CSCCCC2CC2)o1 ZINC000865288861 589419847 /nfs/dbraw/zinc/41/98/47/589419847.db2.gz 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ZINC000865297058 589420939 /nfs/dbraw/zinc/42/09/39/589420939.db2.gz LXTQXZIJUBXKBA-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN Fc1ccccc1SCc1coc(C2CC2)n1 ZINC000865336213 589422013 /nfs/dbraw/zinc/42/20/13/589422013.db2.gz DPXQWLIZHVTALA-UHFFFAOYSA-N 0 0 249.310 3.983 20 0 BHADRN Fc1ccc(SCc2coc(C3CC3)n2)cc1 ZINC000865336840 589421901 /nfs/dbraw/zinc/42/19/01/589421901.db2.gz WDMPVCFPLQNMOF-UHFFFAOYSA-N 0 0 249.310 3.983 20 0 BHADRN C[C@@H](CSC1=NCCS1)CC(C)(C)C ZINC000865340901 589422415 /nfs/dbraw/zinc/42/24/15/589422415.db2.gz AEEFLWVXRQPZJB-SECBINFHSA-N 0 0 231.430 3.895 20 0 BHADRN C[C@H](CSC1=NCCS1)CC(C)(C)C ZINC000865340902 589422136 /nfs/dbraw/zinc/42/21/36/589422136.db2.gz AEEFLWVXRQPZJB-VIFPVBQESA-N 0 0 231.430 3.895 20 0 BHADRN CC(C)COCSc1nc2ccccc2o1 ZINC000865340924 589422457 /nfs/dbraw/zinc/42/24/57/589422457.db2.gz BHDOXNJIPPKSNG-UHFFFAOYSA-N 0 0 237.324 3.550 20 0 BHADRN c1coc(CSCc2coc(C3CC3)n2)c1 ZINC000865340970 589422470 /nfs/dbraw/zinc/42/24/70/589422470.db2.gz DEBOKYFZDNAQEP-UHFFFAOYSA-N 0 0 235.308 3.578 20 0 BHADRN c1coc(CSCOC2CCCCC2)c1 ZINC000865341004 589422394 /nfs/dbraw/zinc/42/23/94/589422394.db2.gz FLPVPTMKFANECG-UHFFFAOYSA-N 0 0 226.341 3.820 20 0 BHADRN CC(C)(C)SCCCSC1=NCCS1 ZINC000865341029 589422230 /nfs/dbraw/zinc/42/22/30/589422230.db2.gz GJUHYZMLGNJUGD-UHFFFAOYSA-N 0 0 249.470 3.744 20 0 BHADRN Clc1cccc(OCc2coc(C3CC3)n2)c1 ZINC000865341060 589422241 /nfs/dbraw/zinc/42/22/41/589422241.db2.gz HVHRUIXPLLWIAF-UHFFFAOYSA-N 0 0 249.697 3.784 20 0 BHADRN C[C@H](CSC1=NCCS1)C(C)(C)C ZINC000865341479 589422417 /nfs/dbraw/zinc/42/24/17/589422417.db2.gz RFPCBRPFKAUGRV-MRVPVSSYSA-N 0 0 217.403 3.505 20 0 BHADRN C[C@@H](CSC1=NCCS1)C(C)(C)C ZINC000865341480 589422424 /nfs/dbraw/zinc/42/24/24/589422424.db2.gz RFPCBRPFKAUGRV-QMMMGPOBSA-N 0 0 217.403 3.505 20 0 BHADRN C[C@@H](SCc1ccco1)C(=O)C(C)(C)C ZINC000865341633 589422223 /nfs/dbraw/zinc/42/22/23/589422223.db2.gz VBGCPLWFFNHMSJ-SECBINFHSA-N 0 0 226.341 3.517 20 0 BHADRN C[C@H](SCc1ccco1)C(=O)C(C)(C)C ZINC000865341635 589422364 /nfs/dbraw/zinc/42/23/64/589422364.db2.gz VBGCPLWFFNHMSJ-VIFPVBQESA-N 0 0 226.341 3.517 20 0 BHADRN Clc1ccc(OCc2coc(C3CC3)n2)cc1 ZINC000865341649 589422233 /nfs/dbraw/zinc/42/22/33/589422233.db2.gz VGVYEXKOIPCUJN-UHFFFAOYSA-N 0 0 249.697 3.784 20 0 BHADRN Clc1ccccc1OCc1coc(C2CC2)n1 ZINC000865341802 589422329 /nfs/dbraw/zinc/42/23/29/589422329.db2.gz ZNMKJDYGSIEMFW-UHFFFAOYSA-N 0 0 249.697 3.784 20 0 BHADRN CC(=O)Nc1ccccc1OC[C@@H](C)C(C)(C)C ZINC000865341929 589422316 /nfs/dbraw/zinc/42/23/16/589422316.db2.gz AFFBZMONBJBNIU-LLVKDONJSA-N 0 0 249.354 3.706 20 0 BHADRN CC(=O)Nc1ccccc1OC[C@H](C)C(C)(C)C ZINC000865341931 589422412 /nfs/dbraw/zinc/42/24/12/589422412.db2.gz AFFBZMONBJBNIU-NSHDSACASA-N 0 0 249.354 3.706 20 0 BHADRN Cc1cc(C)cc(OCc2coc(C3CC3)n2)c1 ZINC000865342165 589422361 /nfs/dbraw/zinc/42/23/61/589422361.db2.gz FWFVHTLFYSEBFW-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN Cc1ccc(C)c(OCc2coc(C3CC3)n2)c1 ZINC000865342629 589422271 /nfs/dbraw/zinc/42/22/71/589422271.db2.gz RPYWTHBVWHXYRU-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN c1oc(C2CC2)nc1CSc1ccccc1 ZINC000865342775 589422685 /nfs/dbraw/zinc/42/26/85/589422685.db2.gz YWDNJKFGPJRQCU-UHFFFAOYSA-N 0 0 231.320 3.844 20 0 BHADRN CC(C)(C)SCCCSc1nncs1 ZINC000865345618 589423232 /nfs/dbraw/zinc/42/32/32/589423232.db2.gz CPIMXDHAPCWAIJ-UHFFFAOYSA-N 0 0 248.442 3.552 20 0 BHADRN Cc1csc(SCOC2CCCCC2)n1 ZINC000865346806 589423016 /nfs/dbraw/zinc/42/30/16/589423016.db2.gz PDOUQUKUAMSQHS-UHFFFAOYSA-N 0 0 243.397 3.850 20 0 BHADRN Cc1nnc(SCC2CC3(CCC3)C2)s1 ZINC000865346988 589423168 /nfs/dbraw/zinc/42/31/68/589423168.db2.gz XYWPTSWIBHREEN-UHFFFAOYSA-N 0 0 240.397 3.519 20 0 BHADRN Cc1nc(SCCCC2CC2)oc1C ZINC000865349414 589423389 /nfs/dbraw/zinc/42/33/89/589423389.db2.gz AJOBDFVRLMXCGN-UHFFFAOYSA-N 0 0 211.330 3.574 20 0 BHADRN Cc1nc(SCOC2CCCCC2)oc1C ZINC000865351258 589424153 /nfs/dbraw/zinc/42/41/53/589424153.db2.gz YUNRBIOAUWDCFE-UHFFFAOYSA-N 0 0 241.356 3.690 20 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/nfs/dbraw/zinc/42/45/10/589424510.db2.gz QRQCCEPQKIQQOS-UHFFFAOYSA-N 0 0 247.319 3.550 20 0 BHADRN CC(C)(C)c1nnc(SCCCC2CC2)o1 ZINC000865354604 589424588 /nfs/dbraw/zinc/42/45/88/589424588.db2.gz SIEJNGRRURMXKC-UHFFFAOYSA-N 0 0 240.372 3.649 20 0 BHADRN CC(C)COCSc1ccnc2ccccc21 ZINC000865355421 589424574 /nfs/dbraw/zinc/42/45/74/589424574.db2.gz MFBLQLVODSPDOS-UHFFFAOYSA-N 0 0 247.363 3.957 20 0 BHADRN CC(=O)Nc1ccc(C)cc1OCCCC1CC1 ZINC000865355585 589424478 /nfs/dbraw/zinc/42/44/78/589424478.db2.gz LEYWZJPKYUEKOC-UHFFFAOYSA-N 0 0 247.338 3.522 20 0 BHADRN Cc1ccc(F)c(OCc2coc(C3CC3)n2)c1 ZINC000865356749 589424851 /nfs/dbraw/zinc/42/48/51/589424851.db2.gz CZBKWDROEFKYMS-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN C[C@@H](Cn1ccc(=O)c2sccc21)C(C)(C)C ZINC000865357222 589424871 /nfs/dbraw/zinc/42/48/71/589424871.db2.gz HREINAUSUDBKDA-JTQLQIEISA-N 0 0 249.379 3.745 20 0 BHADRN C[C@H](Cn1ccc(=O)c2sccc21)C(C)(C)C ZINC000865357223 589424918 /nfs/dbraw/zinc/42/49/18/589424918.db2.gz HREINAUSUDBKDA-SNVBAGLBSA-N 0 0 249.379 3.745 20 0 BHADRN CC(C)[C@@H](C)SCc1coc(C2CC2)n1 ZINC000865357512 589424810 /nfs/dbraw/zinc/42/48/10/589424810.db2.gz IZSDBVKMDYTWKR-SECBINFHSA-N 0 0 225.357 3.830 20 0 BHADRN CC(C)[C@H](C)SCc1coc(C2CC2)n1 ZINC000865357513 589424801 /nfs/dbraw/zinc/42/48/01/589424801.db2.gz IZSDBVKMDYTWKR-VIFPVBQESA-N 0 0 225.357 3.830 20 0 BHADRN CCCCC(=O)CSc1nc(C)c(C)s1 ZINC000865357732 589424813 /nfs/dbraw/zinc/42/48/13/589424813.db2.gz MMMCSDFUJQYFEC-UHFFFAOYSA-N 0 0 243.397 3.611 20 0 BHADRN C[C@H](SC[C@@H]1CCO[C@H]1C)c1cccs1 ZINC000865357793 589424829 /nfs/dbraw/zinc/42/48/29/589424829.db2.gz OKOWWLFXAQHYHU-DCAQKATOSA-N 0 0 242.409 3.967 20 0 BHADRN C[C@H](SC[C@H]1CCO[C@H]1C)c1cccs1 ZINC000865357794 589424785 /nfs/dbraw/zinc/42/47/85/589424785.db2.gz OKOWWLFXAQHYHU-GARJFASQSA-N 0 0 242.409 3.967 20 0 BHADRN C[C@H](SC[C@H]1CCO[C@@H]1C)c1cccs1 ZINC000865357795 589424847 /nfs/dbraw/zinc/42/48/47/589424847.db2.gz OKOWWLFXAQHYHU-OUAUKWLOSA-N 0 0 242.409 3.967 20 0 BHADRN C[C@H](SC[C@@H]1CCO[C@@H]1C)c1cccs1 ZINC000865357796 589424897 /nfs/dbraw/zinc/42/48/97/589424897.db2.gz OKOWWLFXAQHYHU-VWYCJHECSA-N 0 0 242.409 3.967 20 0 BHADRN COCC(C)(C)CSC1=Nc2ccccc2C1 ZINC000865358247 589425255 /nfs/dbraw/zinc/42/52/55/589425255.db2.gz YKDVSDVTDYPHFO-UHFFFAOYSA-N 0 0 249.379 3.679 20 0 BHADRN C(CSc1nnc(C2CC2)s1)CC1CC1 ZINC000865358543 589425167 /nfs/dbraw/zinc/42/51/67/589425167.db2.gz FHCZCUGVQNTNAQ-UHFFFAOYSA-N 0 0 240.397 3.698 20 0 BHADRN CC(=O)[C@H](C)SCCCSC(C)(C)C ZINC000865358801 589425086 /nfs/dbraw/zinc/42/50/86/589425086.db2.gz NMMZNYYOUNXBSI-JTQLQIEISA-N 0 0 234.430 3.619 20 0 BHADRN CC(=O)[C@@H](C)SCCCSC(C)(C)C ZINC000865358802 589425307 /nfs/dbraw/zinc/42/53/07/589425307.db2.gz NMMZNYYOUNXBSI-SNVBAGLBSA-N 0 0 234.430 3.619 20 0 BHADRN CC(C)(C)C(=O)CSCOC1CCCCC1 ZINC000865358889 589425149 /nfs/dbraw/zinc/42/51/49/589425149.db2.gz QLPIYEDWIWHKME-UHFFFAOYSA-N 0 0 244.400 3.642 20 0 BHADRN Fc1cccc(SCc2coc(C3CC3)n2)c1 ZINC000865358965 589425279 /nfs/dbraw/zinc/42/52/79/589425279.db2.gz BHURVWDLTKZIPX-UHFFFAOYSA-N 0 0 249.310 3.983 20 0 BHADRN COCc1ccc(SCOCC(C)C)cc1 ZINC000865359195 589425282 /nfs/dbraw/zinc/42/52/82/589425282.db2.gz VHDOHHMJNKAGIN-UHFFFAOYSA-N 0 0 240.368 3.555 20 0 BHADRN CC(C)COCSc1ncc(C(C)(C)C)o1 ZINC000865360493 589425741 /nfs/dbraw/zinc/42/57/41/589425741.db2.gz UZCYLWKFDYFTLF-UHFFFAOYSA-N 0 0 243.372 3.694 20 0 BHADRN C[C@@H](CSC1CCOCC1)C(C)(C)C ZINC000865361264 589425564 /nfs/dbraw/zinc/42/55/64/589425564.db2.gz OVNHSJWJSUMVMQ-JTQLQIEISA-N 0 0 216.390 3.581 20 0 BHADRN C[C@H](CSC1CCOCC1)C(C)(C)C ZINC000865361265 589425895 /nfs/dbraw/zinc/42/58/95/589425895.db2.gz OVNHSJWJSUMVMQ-SNVBAGLBSA-N 0 0 216.390 3.581 20 0 BHADRN C[C@H]1OCC[C@H]1SCCCSC(C)(C)C ZINC000865361498 589425672 /nfs/dbraw/zinc/42/56/72/589425672.db2.gz SDBPBGKXMYHRHC-GHMZBOCLSA-N 0 0 248.457 3.819 20 0 BHADRN C[C@H]1OCC[C@@H]1SCCCSC(C)(C)C ZINC000865361500 589425625 /nfs/dbraw/zinc/42/56/25/589425625.db2.gz SDBPBGKXMYHRHC-MNOVXSKESA-N 0 0 248.457 3.819 20 0 BHADRN C[C@@H]1OCC[C@@H]1SCCCSC(C)(C)C ZINC000865361504 589425497 /nfs/dbraw/zinc/42/54/97/589425497.db2.gz SDBPBGKXMYHRHC-QWRGUYRKSA-N 0 0 248.457 3.819 20 0 BHADRN C[C@@H]1OCC[C@H]1SCCCSC(C)(C)C ZINC000865361506 589425647 /nfs/dbraw/zinc/42/56/47/589425647.db2.gz SDBPBGKXMYHRHC-WDEREUQCSA-N 0 0 248.457 3.819 20 0 BHADRN CC(C)(C)SCCCSC1CCOCC1 ZINC000865361734 589425620 /nfs/dbraw/zinc/42/56/20/589425620.db2.gz WXCJSDBKBGXWKB-UHFFFAOYSA-N 0 0 248.457 3.820 20 0 BHADRN CCO[C@H](C)c1nccn1CC1CC2(CCC2)C1 ZINC000865361987 589426246 /nfs/dbraw/zinc/42/62/46/589426246.db2.gz HXWQUQFPBSXMAZ-GFCCVEGCSA-N 0 0 248.370 3.561 20 0 BHADRN CCO[C@@H](C)c1nccn1CC1CC2(CCC2)C1 ZINC000865361988 589426141 /nfs/dbraw/zinc/42/61/41/589426141.db2.gz HXWQUQFPBSXMAZ-LBPRGKRZSA-N 0 0 248.370 3.561 20 0 BHADRN C[C@@H]1CSC(SCC2CC3(CCC3)C2)=N1 ZINC000865361994 589426312 /nfs/dbraw/zinc/42/63/12/589426312.db2.gz IBTQATLDSVKUEN-SECBINFHSA-N 0 0 241.425 3.791 20 0 BHADRN 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0 249.741 3.840 20 0 BHADRN CCc1csc(N2CC[C@@H]2c2ccccc2)n1 ZINC000865452936 589437474 /nfs/dbraw/zinc/43/74/74/589437474.db2.gz ZWUUNMQGTUIHMF-CYBMUJFWSA-N 0 0 244.363 3.657 20 0 BHADRN CCc1csc(N2CC[C@H]2c2ccccc2)n1 ZINC000865452937 589437143 /nfs/dbraw/zinc/43/71/43/589437143.db2.gz ZWUUNMQGTUIHMF-ZDUSSCGKSA-N 0 0 244.363 3.657 20 0 BHADRN Cc1cc(C[NH2+]Cc2csc(C)c2C)c(C)o1 ZINC000865464045 589438082 /nfs/dbraw/zinc/43/80/82/589438082.db2.gz QWLLZNCMKGRWEQ-UHFFFAOYSA-N 0 0 249.379 3.865 20 0 BHADRN CCCn1cc(NCc2csc(C)c2C)cn1 ZINC000865495087 589441337 /nfs/dbraw/zinc/44/13/37/589441337.db2.gz FNAWPXSTPJSXCH-UHFFFAOYSA-N 0 0 249.383 3.584 20 0 BHADRN CCc1csc(N[C@@H](C)c2cnccc2C)n1 ZINC000865654549 589454487 /nfs/dbraw/zinc/45/44/87/589454487.db2.gz QQKUGAKNFLLUKW-JTQLQIEISA-N 0 0 247.367 3.582 20 0 BHADRN CCc1csc(N[C@H](C)c2cnccc2C)n1 ZINC000865654550 589454630 /nfs/dbraw/zinc/45/46/30/589454630.db2.gz QQKUGAKNFLLUKW-SNVBAGLBSA-N 0 0 247.367 3.582 20 0 BHADRN CSCCc1ccccc1NCc1ccoc1 ZINC000865669257 589455569 /nfs/dbraw/zinc/45/55/69/589455569.db2.gz YVEIEKLJRAJMDS-UHFFFAOYSA-N 0 0 247.363 3.797 20 0 BHADRN Fc1ccc(NCC2CC2)cc1C(F)F ZINC000865756836 589461163 /nfs/dbraw/zinc/46/11/63/589461163.db2.gz ACWKERCZSJFKBE-UHFFFAOYSA-N 0 0 215.218 3.585 20 0 BHADRN Fc1ccc(NCC2(F)CC2)cc1C(F)F ZINC000865757359 589461321 /nfs/dbraw/zinc/46/13/21/589461321.db2.gz JQJNJPMKXNPYKD-UHFFFAOYSA-N 0 0 233.208 3.677 20 0 BHADRN Cc1ccoc1CNCc1ccc(C(C)(C)C)o1 ZINC000865813992 589462914 /nfs/dbraw/zinc/46/29/14/589462914.db2.gz DTRJDAYJQSXDNR-UHFFFAOYSA-N 0 0 247.338 3.768 20 0 BHADRN Cc1ccc(CNCc2ccc(C(C)(C)C)o2)o1 ZINC000865814291 584031330 /nfs/dbraw/zinc/03/13/30/584031330.db2.gz HZIOZAOOWHTELZ-UHFFFAOYSA-N 0 0 247.338 3.768 20 0 BHADRN Cc1occc1CNCc1ccc(C(C)(C)C)o1 ZINC000865815183 589462799 /nfs/dbraw/zinc/46/27/99/589462799.db2.gz RWNVWLQMKHYTIQ-UHFFFAOYSA-N 0 0 247.338 3.768 20 0 BHADRN CC[C@H]1CC[C@H](Nc2ccc([C@H](C)O)cn2)CC1 ZINC000865830841 589463744 /nfs/dbraw/zinc/46/37/44/589463744.db2.gz QIOSTRAZBCZWPV-OBJOEFQTSA-N 0 0 248.370 3.516 20 0 BHADRN CC[C@H]1CC[C@H](Nc2ccc([C@@H](C)O)cn2)CC1 ZINC000865830842 589463731 /nfs/dbraw/zinc/46/37/31/589463731.db2.gz QIOSTRAZBCZWPV-YRGRVCCFSA-N 0 0 248.370 3.516 20 0 BHADRN Fc1cc(C2CC2)ccc1NCc1cc[nH]c1 ZINC000865833763 589463984 /nfs/dbraw/zinc/46/39/84/589463984.db2.gz CCFOYNQHFVLKQG-UHFFFAOYSA-N 0 0 230.286 3.643 20 0 BHADRN Cc1nocc1CNc1ccc(C2CC2)cc1F ZINC000865834032 589463825 /nfs/dbraw/zinc/46/38/25/589463825.db2.gz FCCBPLRPDZHDPX-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Fc1cc(C2CC2)ccc1NCC1CCOCC1 ZINC000865834049 589463863 /nfs/dbraw/zinc/46/38/63/589463863.db2.gz FORFYZZHFMEOMJ-UHFFFAOYSA-N 0 0 249.329 3.542 20 0 BHADRN Fc1cc(C2CC2)ccc1NCc1nccs1 ZINC000865834306 589463889 /nfs/dbraw/zinc/46/38/89/589463889.db2.gz HTONRFXNJXJSGA-UHFFFAOYSA-N 0 0 248.326 3.772 20 0 BHADRN Fc1cc(C2CC2)ccc1NC[C@H]1CCCOC1 ZINC000865835480 589463881 /nfs/dbraw/zinc/46/38/81/589463881.db2.gz RTKGFYYRAAEZMA-LLVKDONJSA-N 0 0 249.329 3.542 20 0 BHADRN Fc1cc(C2CC2)ccc1NC[C@@H]1CCCOC1 ZINC000865835481 589463854 /nfs/dbraw/zinc/46/38/54/589463854.db2.gz RTKGFYYRAAEZMA-NSHDSACASA-N 0 0 249.329 3.542 20 0 BHADRN Fc1cc(C2CC2)ccc1NCc1ccncc1 ZINC000865835513 589463767 /nfs/dbraw/zinc/46/37/67/589463767.db2.gz SXPVEGOKUKXOMA-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN Fc1cc(C2CC2)ccc1NCc1ccccn1 ZINC000865835684 589463886 /nfs/dbraw/zinc/46/38/86/589463886.db2.gz VXZVGFWXFVWGHD-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN Fc1cc(C2CC2)ccc1NCc1cncs1 ZINC000865835749 589463844 /nfs/dbraw/zinc/46/38/44/589463844.db2.gz XQRFMWGJFFVGII-UHFFFAOYSA-N 0 0 248.326 3.772 20 0 BHADRN Fc1cc(C2CC2)ccc1NCc1cccnc1 ZINC000865835777 589463781 /nfs/dbraw/zinc/46/37/81/589463781.db2.gz YKDBYMBHEVQHIA-UHFFFAOYSA-N 0 0 242.297 3.710 20 0 BHADRN Cc1cc(CNc2ccc(C3CC3)cc2F)on1 ZINC000865835811 589463842 /nfs/dbraw/zinc/46/38/42/589463842.db2.gz ZFZZPJOYNJTBNY-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Fc1cc(C2CC2)ccc1NCc1cscn1 ZINC000865835837 589463908 /nfs/dbraw/zinc/46/39/08/589463908.db2.gz ZQCAEMZRJUTBQE-UHFFFAOYSA-N 0 0 248.326 3.772 20 0 BHADRN COc1ccc(C2CC2)c(NCc2ccco2)c1 ZINC000865856492 589465163 /nfs/dbraw/zinc/46/51/63/589465163.db2.gz PWMPTKNBPZNTDK-UHFFFAOYSA-N 0 0 243.306 3.778 20 0 BHADRN COc1ccc(C2CC2)c(NCc2ccoc2)c1 ZINC000865857358 589465236 /nfs/dbraw/zinc/46/52/36/589465236.db2.gz YMHRLFSKZMMVBJ-UHFFFAOYSA-N 0 0 243.306 3.778 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000865928681 589469010 /nfs/dbraw/zinc/46/90/10/589469010.db2.gz JWSBJDCMMPJCBR-IIAWOOMASA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@@H]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000865928683 589469028 /nfs/dbraw/zinc/46/90/28/589469028.db2.gz JWSBJDCMMPJCBR-YCPHGPKFSA-N 0 0 249.398 3.605 20 0 BHADRN CC(C)(C)OC1CCC(Nc2ccccn2)CC1 ZINC000866049874 589474254 /nfs/dbraw/zinc/47/42/54/589474254.db2.gz TUONSXWPLABYIR-UHFFFAOYSA-N 0 0 248.370 3.620 20 0 BHADRN CC1(C)CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000866077003 589475012 /nfs/dbraw/zinc/47/50/12/589475012.db2.gz KBVAGLISXSOGAL-BBRMVZONSA-N 0 0 249.398 3.605 20 0 BHADRN CC1(C)CCCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000866077005 589475124 /nfs/dbraw/zinc/47/51/24/589475124.db2.gz KBVAGLISXSOGAL-CZUORRHYSA-N 0 0 249.398 3.605 20 0 BHADRN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C2CCCC1CCC2 ZINC000866100548 589476011 /nfs/dbraw/zinc/47/60/11/589476011.db2.gz ASULWHZUIQSVAR-NWINJMCUSA-N 0 0 249.398 3.602 20 0 BHADRN CS[C@H]1C[C@H](Nc2nccc3ccccc32)C1 ZINC000866102962 589476248 /nfs/dbraw/zinc/47/62/48/589476248.db2.gz UVUBLZCGJIESPU-HAQNSBGRSA-N 0 0 244.363 3.541 20 0 BHADRN CC[C@]1(C)CCCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000866181267 589479197 /nfs/dbraw/zinc/47/91/97/589479197.db2.gz ZANHVFAELHQYMU-FVQBIDKESA-N 0 0 249.398 3.605 20 0 BHADRN CC[C@]1(C)CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000866181268 589479181 /nfs/dbraw/zinc/47/91/81/589479181.db2.gz ZANHVFAELHQYMU-IMJJTQAJSA-N 0 0 249.398 3.605 20 0 BHADRN Cc1cnc(NCC(C)(C)C(C)(F)F)s1 ZINC000866185349 589479291 /nfs/dbraw/zinc/47/92/91/589479291.db2.gz QOEDZOZOTAGCDG-UHFFFAOYSA-N 0 0 234.315 3.545 20 0 BHADRN CC/C=C(/F)C(=O)Nc1c(C)cccc1C ZINC000866187883 589479623 /nfs/dbraw/zinc/47/96/23/589479623.db2.gz CDIKHBTWVXXDAN-IZZDOVSWSA-N 0 0 221.275 3.505 20 0 BHADRN CC/C=C(\F)C(=O)Nc1c(C)cccc1C ZINC000866187884 589479519 /nfs/dbraw/zinc/47/95/19/589479519.db2.gz CDIKHBTWVXXDAN-WDZFZDKYSA-N 0 0 221.275 3.505 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000866188164 589479488 /nfs/dbraw/zinc/47/94/88/589479488.db2.gz FBHRDRIUWNRGPK-AAVRWANBSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000866188165 589479593 /nfs/dbraw/zinc/47/95/93/589479593.db2.gz FBHRDRIUWNRGPK-IGQOVBAYSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000866188166 589479657 /nfs/dbraw/zinc/47/96/57/589479657.db2.gz FBHRDRIUWNRGPK-REWJHTLYSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000866188167 589479633 /nfs/dbraw/zinc/47/96/33/589479633.db2.gz FBHRDRIUWNRGPK-XJFOESAGSA-N 0 0 243.350 3.534 20 0 BHADRN Cc1cccc(C)c1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000866190622 589479686 /nfs/dbraw/zinc/47/96/86/589479686.db2.gz ZJLNYCOCMXYKIB-CHWSQXEVSA-N 0 0 245.366 3.924 20 0 BHADRN Cc1c(F)cccc1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000866272928 589483993 /nfs/dbraw/zinc/48/39/93/589483993.db2.gz YKSNIOPSJAARNK-IAQYHMDHSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1c(F)cccc1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000866272929 589483827 /nfs/dbraw/zinc/48/38/27/589483827.db2.gz YKSNIOPSJAARNK-NHYWBVRUSA-N 0 0 247.313 3.653 20 0 BHADRN C[C@H](CCc1cccnc1)Nc1ccccc1 ZINC000866287479 589484401 /nfs/dbraw/zinc/48/44/01/589484401.db2.gz NESFEJWCWNLKJB-CYBMUJFWSA-N 0 0 226.323 3.515 20 0 BHADRN C[C@@H](CCc1cccnc1)Nc1ccccc1 ZINC000866287480 589484324 /nfs/dbraw/zinc/48/43/24/589484324.db2.gz NESFEJWCWNLKJB-ZDUSSCGKSA-N 0 0 226.323 3.515 20 0 BHADRN Cc1ccccc1N[C@@H](C)CCc1cccnc1 ZINC000866313804 589486077 /nfs/dbraw/zinc/48/60/77/589486077.db2.gz HVUZUMAXUWFXAY-AWEZNQCLSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1ccccc1N[C@H](C)CCc1cccnc1 ZINC000866313805 589486154 /nfs/dbraw/zinc/48/61/54/589486154.db2.gz HVUZUMAXUWFXAY-CQSZACIVSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1ccc(N[C@@H](C)CCc2cccnc2)cc1 ZINC000866314013 589486113 /nfs/dbraw/zinc/48/61/13/589486113.db2.gz AXPKABPSCMTVPR-AWEZNQCLSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1ccc(N[C@H](C)CCc2cccnc2)cc1 ZINC000866314014 589485966 /nfs/dbraw/zinc/48/59/66/589485966.db2.gz AXPKABPSCMTVPR-CQSZACIVSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1ccnc(N[C@H](c2ccccn2)C(C)C)c1 ZINC000866314051 589485969 /nfs/dbraw/zinc/48/59/69/589485969.db2.gz CDPMBZAXTRZFHQ-HNNXBMFYSA-N 0 0 241.338 3.594 20 0 BHADRN Cc1ccnc(N[C@@H](c2ccccn2)C(C)C)c1 ZINC000866314052 589486125 /nfs/dbraw/zinc/48/61/25/589486125.db2.gz CDPMBZAXTRZFHQ-OAHLLOKOSA-N 0 0 241.338 3.594 20 0 BHADRN C[C@H](CCc1cccnc1)Nc1ccc(F)cc1 ZINC000866314318 589486087 /nfs/dbraw/zinc/48/60/87/589486087.db2.gz DQRONNMBRAGGJV-GFCCVEGCSA-N 0 0 244.313 3.654 20 0 BHADRN C[C@@H](CCc1cccnc1)Nc1ccc(F)cc1 ZINC000866314319 589485994 /nfs/dbraw/zinc/48/59/94/589485994.db2.gz DQRONNMBRAGGJV-LBPRGKRZSA-N 0 0 244.313 3.654 20 0 BHADRN C[C@H](CCc1cccnc1)Nc1cccc(F)c1 ZINC000866314709 589486105 /nfs/dbraw/zinc/48/61/05/589486105.db2.gz GLEIKPIFMUVJTD-GFCCVEGCSA-N 0 0 244.313 3.654 20 0 BHADRN C[C@@H](CCc1cccnc1)Nc1cccc(F)c1 ZINC000866314712 589486002 /nfs/dbraw/zinc/48/60/02/589486002.db2.gz GLEIKPIFMUVJTD-LBPRGKRZSA-N 0 0 244.313 3.654 20 0 BHADRN Cc1cccc(N[C@@H](C)CCc2cccnc2)c1 ZINC000866315978 589486158 /nfs/dbraw/zinc/48/61/58/589486158.db2.gz OHGHSRPSJLQBNR-AWEZNQCLSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1cccc(N[C@H](C)CCc2cccnc2)c1 ZINC000866315979 589486164 /nfs/dbraw/zinc/48/61/64/589486164.db2.gz OHGHSRPSJLQBNR-CQSZACIVSA-N 0 0 240.350 3.823 20 0 BHADRN Cc1ccc(N[C@H](c2ccccn2)C(C)C)cn1 ZINC000866323159 589486237 /nfs/dbraw/zinc/48/62/37/589486237.db2.gz JPPFEFMFBFGOTO-HNNXBMFYSA-N 0 0 241.338 3.594 20 0 BHADRN Cc1ccc(N[C@@H](c2ccccn2)C(C)C)cn1 ZINC000866323161 589486285 /nfs/dbraw/zinc/48/62/85/589486285.db2.gz JPPFEFMFBFGOTO-OAHLLOKOSA-N 0 0 241.338 3.594 20 0 BHADRN C[C@H](CCc1cccnc1)Nc1ccccc1F ZINC000866323483 589486375 /nfs/dbraw/zinc/48/63/75/589486375.db2.gz OBXLYNIATNQYOT-GFCCVEGCSA-N 0 0 244.313 3.654 20 0 BHADRN C[C@@H](CCc1cccnc1)Nc1ccccc1F ZINC000866323484 589486266 /nfs/dbraw/zinc/48/62/66/589486266.db2.gz OBXLYNIATNQYOT-LBPRGKRZSA-N 0 0 244.313 3.654 20 0 BHADRN Cc1cscc1N[C@H](C)CCc1cccnc1 ZINC000866323730 589486462 /nfs/dbraw/zinc/48/64/62/589486462.db2.gz LRJQSROLDSKWKJ-GFCCVEGCSA-N 0 0 246.379 3.885 20 0 BHADRN Cc1cscc1N[C@@H](C)CCc1cccnc1 ZINC000866323734 589486561 /nfs/dbraw/zinc/48/65/61/589486561.db2.gz LRJQSROLDSKWKJ-LBPRGKRZSA-N 0 0 246.379 3.885 20 0 BHADRN O=C(Oc1ccccc1F)OC1CCCCC1 ZINC000866374512 589488756 /nfs/dbraw/zinc/48/87/56/589488756.db2.gz JMSWNPSNMIJWNR-UHFFFAOYSA-N 0 0 238.258 3.674 20 0 BHADRN CCC1(CC)CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000866484165 589496003 /nfs/dbraw/zinc/49/60/03/589496003.db2.gz RZGOYKAJBDHRQX-BBRMVZONSA-N 0 0 249.398 3.605 20 0 BHADRN CCC1(CC)CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000866484168 584119843 /nfs/dbraw/zinc/11/98/43/584119843.db2.gz RZGOYKAJBDHRQX-CZUORRHYSA-N 0 0 249.398 3.605 20 0 BHADRN CO[C@@H](C)[C@H](C)Nc1ccc(F)c(C(F)F)c1 ZINC000866507240 589498196 /nfs/dbraw/zinc/49/81/96/589498196.db2.gz BVVWQBWYYKEYIY-YUMQZZPRSA-N 0 0 247.260 3.599 20 0 BHADRN CCOC[C@@H](C)Nc1ccc(F)c(C(F)F)c1 ZINC000866507833 589498292 /nfs/dbraw/zinc/49/82/92/589498292.db2.gz GZKUZYRANASTHA-MRVPVSSYSA-N 0 0 247.260 3.600 20 0 BHADRN CCOC[C@H](C)Nc1ccc(F)c(C(F)F)c1 ZINC000866507834 589498527 /nfs/dbraw/zinc/49/85/27/589498527.db2.gz GZKUZYRANASTHA-QMMMGPOBSA-N 0 0 247.260 3.600 20 0 BHADRN COCC[C@@H](C)Nc1ccc(F)c(C(F)F)c1 ZINC000866507835 589498690 /nfs/dbraw/zinc/49/86/90/589498690.db2.gz HGSFLDNUBCMCBP-MRVPVSSYSA-N 0 0 247.260 3.600 20 0 BHADRN COCC[C@H](C)Nc1ccc(F)c(C(F)F)c1 ZINC000866507836 589498267 /nfs/dbraw/zinc/49/82/67/589498267.db2.gz HGSFLDNUBCMCBP-QMMMGPOBSA-N 0 0 247.260 3.600 20 0 BHADRN CC(C)Nc1ccc(F)c(C(F)F)c1 ZINC000866509595 589498726 /nfs/dbraw/zinc/49/87/26/589498726.db2.gz ZZHNSKIWLNYXDY-UHFFFAOYSA-N 0 0 203.207 3.584 20 0 BHADRN CCCCCCC(=O)OCc1ccccc1F ZINC000866515313 589498557 /nfs/dbraw/zinc/49/85/57/589498557.db2.gz GRDWUGCJPBNCAW-UHFFFAOYSA-N 0 0 238.302 3.839 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000866532657 589499432 /nfs/dbraw/zinc/49/94/32/589499432.db2.gz LSXDLMXJXKPWEU-IIAWOOMASA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@@H]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000866532662 589499304 /nfs/dbraw/zinc/49/93/04/589499304.db2.gz LSXDLMXJXKPWEU-YCPHGPKFSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@H](C)C(=O)OCc1cccc(Cl)c1 ZINC000866536844 589498589 /nfs/dbraw/zinc/49/85/89/589498589.db2.gz WOPSJXKQGHTLAK-JTQLQIEISA-N 0 0 240.730 3.819 20 0 BHADRN CCC[C@@H](C)C(=O)OCc1cccc(Cl)c1 ZINC000866536845 589498644 /nfs/dbraw/zinc/49/86/44/589498644.db2.gz WOPSJXKQGHTLAK-SNVBAGLBSA-N 0 0 240.730 3.819 20 0 BHADRN C[C@H](Nc1ccc(C2CC2)cc1F)[C@H]1CCOC1 ZINC000866607461 589504301 /nfs/dbraw/zinc/50/43/01/589504301.db2.gz FLOSFNWGHUPYFH-GWCFXTLKSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@H](Nc1ccc(C2CC2)cc1F)[C@@H]1CCOC1 ZINC000866607466 589504308 /nfs/dbraw/zinc/50/43/08/589504308.db2.gz FLOSFNWGHUPYFH-GXFFZTMASA-N 0 0 249.329 3.540 20 0 BHADRN C[C@@H](Nc1ccc(C2CC2)cc1F)[C@H]1CCOC1 ZINC000866607468 589504285 /nfs/dbraw/zinc/50/42/85/589504285.db2.gz FLOSFNWGHUPYFH-MFKMUULPSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@@H](Nc1ccc(C2CC2)cc1F)[C@@H]1CCOC1 ZINC000866607471 589504263 /nfs/dbraw/zinc/50/42/63/589504263.db2.gz FLOSFNWGHUPYFH-ZWNOBZJWSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@H]1COCC[C@@H]1Nc1ccc(C2CC2)cc1F ZINC000866608319 589504273 /nfs/dbraw/zinc/50/42/73/589504273.db2.gz KVEPDGPSYVAYTE-HZMBPMFUSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@H]1COCC[C@H]1Nc1ccc(C2CC2)cc1F ZINC000866608321 589504483 /nfs/dbraw/zinc/50/44/83/589504483.db2.gz KVEPDGPSYVAYTE-IINYFYTJSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@@H]1COCC[C@H]1Nc1ccc(C2CC2)cc1F ZINC000866608323 589504452 /nfs/dbraw/zinc/50/44/52/589504452.db2.gz KVEPDGPSYVAYTE-QMTHXVAHSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@@H]1COCC[C@@H]1Nc1ccc(C2CC2)cc1F ZINC000866608324 589504482 /nfs/dbraw/zinc/50/44/82/589504482.db2.gz KVEPDGPSYVAYTE-YGRLFVJLSA-N 0 0 249.329 3.540 20 0 BHADRN C[C@H]1C[C@@H](Nc2ccc(C3CC3)cc2F)CCO1 ZINC000866608945 589504474 /nfs/dbraw/zinc/50/44/74/589504474.db2.gz OPYIPMDCWFWANK-GWCFXTLKSA-N 0 0 249.329 3.683 20 0 BHADRN C[C@H]1C[C@H](Nc2ccc(C3CC3)cc2F)CCO1 ZINC000866608947 589504473 /nfs/dbraw/zinc/50/44/73/589504473.db2.gz OPYIPMDCWFWANK-GXFFZTMASA-N 0 0 249.329 3.683 20 0 BHADRN C[C@@H]1C[C@@H](Nc2ccc(C3CC3)cc2F)CCO1 ZINC000866608949 589504485 /nfs/dbraw/zinc/50/44/85/589504485.db2.gz OPYIPMDCWFWANK-MFKMUULPSA-N 0 0 249.329 3.683 20 0 BHADRN C[C@@H]1C[C@H](Nc2ccc(C3CC3)cc2F)CCO1 ZINC000866608950 589504489 /nfs/dbraw/zinc/50/44/89/589504489.db2.gz OPYIPMDCWFWANK-ZWNOBZJWSA-N 0 0 249.329 3.683 20 0 BHADRN Fc1cc(C2CC2)ccc1N[C@@H]1CCCOCC1 ZINC000866608978 589504498 /nfs/dbraw/zinc/50/44/98/589504498.db2.gz OYTIHGUEUUJGTB-CYBMUJFWSA-N 0 0 249.329 3.684 20 0 BHADRN Fc1cc(C2CC2)ccc1N[C@H]1CCCOCC1 ZINC000866608980 589504499 /nfs/dbraw/zinc/50/44/99/589504499.db2.gz OYTIHGUEUUJGTB-ZDUSSCGKSA-N 0 0 249.329 3.684 20 0 BHADRN C[C@@H](Nc1ccc(C2CC2)cc1F)c1ncc[nH]1 ZINC000866610213 589504435 /nfs/dbraw/zinc/50/44/35/589504435.db2.gz XPSNQGWTVGCZAM-SECBINFHSA-N 0 0 245.301 3.599 20 0 BHADRN C[C@H](Nc1ccc(C2CC2)cc1F)c1ncc[nH]1 ZINC000866610215 589504476 /nfs/dbraw/zinc/50/44/76/589504476.db2.gz XPSNQGWTVGCZAM-VIFPVBQESA-N 0 0 245.301 3.599 20 0 BHADRN C[C@H](Nc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000866624448 589505943 /nfs/dbraw/zinc/50/59/43/589505943.db2.gz KLFDWCLGTHLHNH-JTQLQIEISA-N 0 0 248.301 3.658 20 0 BHADRN C[C@@H](Nc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000866624449 589505922 /nfs/dbraw/zinc/50/59/22/589505922.db2.gz KLFDWCLGTHLHNH-SNVBAGLBSA-N 0 0 248.301 3.658 20 0 BHADRN C[C@H](Nc1ccc(N(C)C)c(F)c1)c1ccoc1 ZINC000866626608 589505663 /nfs/dbraw/zinc/50/56/63/589505663.db2.gz VVNAIDWNXYPPEP-JTQLQIEISA-N 0 0 248.301 3.658 20 0 BHADRN C[C@@H](Nc1ccc(N(C)C)c(F)c1)c1ccoc1 ZINC000866626609 589505734 /nfs/dbraw/zinc/50/57/34/589505734.db2.gz VVNAIDWNXYPPEP-SNVBAGLBSA-N 0 0 248.301 3.658 20 0 BHADRN CC(C)c1noc(-c2conc2C2CCCC2)n1 ZINC000866839247 582457449 /nfs/dbraw/zinc/45/74/49/582457449.db2.gz VKOAIZRYLFHCRU-UHFFFAOYSA-N 0 0 247.298 3.506 20 0 BHADRN C(=C\c1nc(C2CC2)no1)\CCc1ccccc1 ZINC000866863409 582768415 /nfs/dbraw/zinc/76/84/15/582768415.db2.gz NBHBPAUEUHKCCK-UITAMQMPSA-N 0 0 240.306 3.593 20 0 BHADRN C(=C/c1nc(C2CC2)no1)\CCc1ccccc1 ZINC000866863410 582768681 /nfs/dbraw/zinc/76/86/81/582768681.db2.gz NBHBPAUEUHKCCK-WEVVVXLNSA-N 0 0 240.306 3.593 20 0 BHADRN C1[C@H]2CCCC[C@@]12c1nc(C2CCCC2)no1 ZINC000866867036 582771194 /nfs/dbraw/zinc/77/11/94/582771194.db2.gz BOUHWLMTGLRLPH-BXUZGUMPSA-N 0 0 232.327 3.559 20 0 BHADRN C1[C@@H]2CCCC[C@]12c1nc(C2CCCC2)no1 ZINC000866867037 582771631 /nfs/dbraw/zinc/77/16/31/582771631.db2.gz BOUHWLMTGLRLPH-FZMZJTMJSA-N 0 0 232.327 3.559 20 0 BHADRN Cc1cscc1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000866881250 583042081 /nfs/dbraw/zinc/04/20/81/583042081.db2.gz FYVRVIXPEYIXRM-NXEZZACHSA-N 0 0 237.368 3.677 20 0 BHADRN Cc1cscc1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000866881359 583041614 /nfs/dbraw/zinc/04/16/14/583041614.db2.gz JKDCMTNJYYKIOJ-GWCFXTLKSA-N 0 0 235.352 3.575 20 0 BHADRN Cc1cscc1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000866881362 583041723 /nfs/dbraw/zinc/04/17/23/583041723.db2.gz JKDCMTNJYYKIOJ-ZWNOBZJWSA-N 0 0 235.352 3.575 20 0 BHADRN CCC[C@@H](C)c1noc(C2(C(F)F)CCC2)n1 ZINC000866898272 583325877 /nfs/dbraw/zinc/32/58/77/583325877.db2.gz RVVJYWGSARLCNS-MRVPVSSYSA-N 0 0 244.285 3.660 20 0 BHADRN CCC[C@H](C)c1noc(C2(C(F)F)CCC2)n1 ZINC000866898273 583325767 /nfs/dbraw/zinc/32/57/67/583325767.db2.gz RVVJYWGSARLCNS-QMMMGPOBSA-N 0 0 244.285 3.660 20 0 BHADRN CCC[C@@H](C)c1noc([C@@H]2C[C@H]2c2ccco2)n1 ZINC000866898459 635739912 /nfs/dbraw/zinc/73/99/12/635739912.db2.gz UMJSUXIDOFZVER-GMTAPVOTSA-N 0 0 246.310 3.837 20 0 BHADRN CCC[C@H](C)c1noc([C@@H]2C[C@H]2c2ccco2)n1 ZINC000866898460 635740548 /nfs/dbraw/zinc/74/05/48/635740548.db2.gz UMJSUXIDOFZVER-HBNTYKKESA-N 0 0 246.310 3.837 20 0 BHADRN CC[C@@H](C)Cc1noc([C@@H]2C[C@H]2c2ccco2)n1 ZINC000867137105 587813440 /nfs/dbraw/zinc/81/34/40/587813440.db2.gz QZSFSWJINQKXII-GMTAPVOTSA-N 0 0 246.310 3.522 20 0 BHADRN CC[C@H](C)Cc1noc([C@@H]2C[C@H]2c2ccco2)n1 ZINC000867137108 587813506 /nfs/dbraw/zinc/81/35/06/587813506.db2.gz QZSFSWJINQKXII-HBNTYKKESA-N 0 0 246.310 3.522 20 0 BHADRN CC[C@@H](C)Cc1noc(C(C)(C)C(C)(F)F)n1 ZINC000867138028 587813899 /nfs/dbraw/zinc/81/38/99/587813899.db2.gz YIDHEICOWUJAKE-MRVPVSSYSA-N 0 0 246.301 3.591 20 0 BHADRN CC[C@H](C)Cc1noc(C(C)(C)C(C)(F)F)n1 ZINC000867138029 587813799 /nfs/dbraw/zinc/81/37/99/587813799.db2.gz YIDHEICOWUJAKE-QMMMGPOBSA-N 0 0 246.301 3.591 20 0 BHADRN CCC(C)(C)c1noc([C@@H]2C[C@H]2c2ccco2)n1 ZINC000867168760 587827193 /nfs/dbraw/zinc/82/71/93/587827193.db2.gz AHFCMSRQFQQHDL-NXEZZACHSA-N 0 0 246.310 3.621 20 0 BHADRN CCC(C)(C)c1noc(/C(C)=C\c2ccco2)n1 ZINC000867168974 587827132 /nfs/dbraw/zinc/82/71/32/587827132.db2.gz DCHODQJYYVWXJV-KTKRTIGZSA-N 0 0 246.310 3.911 20 0 BHADRN CCC(C)(C)c1noc(/C(C)=C/c2ccco2)n1 ZINC000867168975 587827312 /nfs/dbraw/zinc/82/73/12/587827312.db2.gz DCHODQJYYVWXJV-MDZDMXLPSA-N 0 0 246.310 3.911 20 0 BHADRN CCC(C)(C)c1noc([C@@H](C)Cc2ccco2)n1 ZINC000867169383 587827575 /nfs/dbraw/zinc/82/75/75/587827575.db2.gz KLRAVZOMLVYRIY-JTQLQIEISA-N 0 0 248.326 3.696 20 0 BHADRN CCC(C)(C)c1noc([C@H](C)Cc2ccco2)n1 ZINC000867169384 587827511 /nfs/dbraw/zinc/82/75/11/587827511.db2.gz KLRAVZOMLVYRIY-SNVBAGLBSA-N 0 0 248.326 3.696 20 0 BHADRN CCC(C)(C)c1noc(C[C@H](C)c2ccco2)n1 ZINC000867169610 587827846 /nfs/dbraw/zinc/82/78/46/587827846.db2.gz NLMRAEWWFMSHMP-JTQLQIEISA-N 0 0 248.326 3.696 20 0 BHADRN CCC(C)(C)c1noc(C[C@@H](C)c2ccco2)n1 ZINC000867169611 587827890 /nfs/dbraw/zinc/82/78/90/587827890.db2.gz NLMRAEWWFMSHMP-SNVBAGLBSA-N 0 0 248.326 3.696 20 0 BHADRN CCC(C)(C)c1noc(/C=C(/C)c2ccco2)n1 ZINC000867169807 587827797 /nfs/dbraw/zinc/82/77/97/587827797.db2.gz UAKKNUMIXVXEKJ-KTKRTIGZSA-N 0 0 246.310 3.911 20 0 BHADRN CCC(C)(C)c1noc(/C=C(\C)c2ccco2)n1 ZINC000867169808 587827813 /nfs/dbraw/zinc/82/78/13/587827813.db2.gz UAKKNUMIXVXEKJ-MDZDMXLPSA-N 0 0 246.310 3.911 20 0 BHADRN CCC[C@H](OCC)c1nc(C(C)(C)CC)no1 ZINC000867169828 587827853 /nfs/dbraw/zinc/82/78/53/587827853.db2.gz UPWOGPHIDXALAE-JTQLQIEISA-N 0 0 240.347 3.635 20 0 BHADRN CCC[C@@H](OCC)c1nc(C(C)(C)CC)no1 ZINC000867169829 587827729 /nfs/dbraw/zinc/82/77/29/587827729.db2.gz UPWOGPHIDXALAE-SNVBAGLBSA-N 0 0 240.347 3.635 20 0 BHADRN CCC(C)(C)c1noc(-c2conc2C(C)C)n1 ZINC000867169845 587827899 /nfs/dbraw/zinc/82/78/99/587827899.db2.gz VAXQEKGODOFHJW-UHFFFAOYSA-N 0 0 249.314 3.536 20 0 BHADRN CCC(C)(C)c1noc(C(C)(C)C(C)(F)F)n1 ZINC000867170116 587828040 /nfs/dbraw/zinc/82/80/40/587828040.db2.gz CGPQTUKJNMUVEX-UHFFFAOYSA-N 0 0 246.301 3.690 20 0 BHADRN CC[C@H](CC(F)F)c1nc(C(C)(C)CC)no1 ZINC000867170298 587828102 /nfs/dbraw/zinc/82/81/02/587828102.db2.gz IMNDFHQVDHBHOQ-MRVPVSSYSA-N 0 0 246.301 3.906 20 0 BHADRN CC[C@@H](CC(F)F)c1nc(C(C)(C)CC)no1 ZINC000867170299 587828108 /nfs/dbraw/zinc/82/81/08/587828108.db2.gz IMNDFHQVDHBHOQ-QMMMGPOBSA-N 0 0 246.301 3.906 20 0 BHADRN CCC(C)(C)c1noc([C@@H](C)C(C)(F)F)n1 ZINC000867170424 587828126 /nfs/dbraw/zinc/82/81/26/587828126.db2.gz LRMRNCVSWIDAMI-SSDOTTSWSA-N 0 0 232.274 3.516 20 0 BHADRN CCC(C)(C)c1noc([C@H](C)C(C)(F)F)n1 ZINC000867170425 587828053 /nfs/dbraw/zinc/82/80/53/587828053.db2.gz LRMRNCVSWIDAMI-ZETCQYMHSA-N 0 0 232.274 3.516 20 0 BHADRN CCC(C)(C)c1noc(-c2ncoc2C(C)C)n1 ZINC000867171613 587829354 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/nfs/dbraw/zinc/83/11/04/587831104.db2.gz ZHBJFVWDBPGIHI-LLVKDONJSA-N 0 0 248.301 3.816 20 0 BHADRN CCC(C)(C)c1noc([C@@H](F)c2ccccc2)n1 ZINC000867173630 587831059 /nfs/dbraw/zinc/83/10/59/587831059.db2.gz ZHBJFVWDBPGIHI-NSHDSACASA-N 0 0 248.301 3.816 20 0 BHADRN CC[C@@H](SC)c1nc(C(C)(C)CC)no1 ZINC000867173721 587831044 /nfs/dbraw/zinc/83/10/44/587831044.db2.gz HGPPIHQLYKKXDG-MRVPVSSYSA-N 0 0 228.361 3.571 20 0 BHADRN CC[C@H](SC)c1nc(C(C)(C)CC)no1 ZINC000867173728 587831108 /nfs/dbraw/zinc/83/11/08/587831108.db2.gz HGPPIHQLYKKXDG-QMMMGPOBSA-N 0 0 228.361 3.571 20 0 BHADRN CCC(C)(C)c1noc([C@H](C)c2ccco2)n1 ZINC000867174091 587831780 /nfs/dbraw/zinc/83/17/80/587831780.db2.gz IDFSLGMOKNHAKG-SECBINFHSA-N 0 0 234.299 3.502 20 0 BHADRN CCC(C)(C)c1noc([C@@H](C)c2ccco2)n1 ZINC000867174092 587831786 /nfs/dbraw/zinc/83/17/86/587831786.db2.gz IDFSLGMOKNHAKG-VIFPVBQESA-N 0 0 234.299 3.502 20 0 BHADRN CCC(C)(C)c1noc(-c2cc(C(C)C)no2)n1 ZINC000867174214 587832061 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589753305 /nfs/dbraw/zinc/75/33/05/589753305.db2.gz JCCIUELSPGXDCP-UHFFFAOYSA-N 0 0 245.244 3.748 20 0 BHADRN CCCC(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000871272822 589753337 /nfs/dbraw/zinc/75/33/37/589753337.db2.gz LPAHGFPQYXFWBC-UHFFFAOYSA-N 0 0 231.217 3.502 20 0 BHADRN CCCCC(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000871273012 589753502 /nfs/dbraw/zinc/75/35/02/589753502.db2.gz QRGRONPZIPICMB-UHFFFAOYSA-N 0 0 245.244 3.892 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000871273015 589753082 /nfs/dbraw/zinc/75/30/82/589753082.db2.gz QTNQRTKTOSIQNY-SSDOTTSWSA-N 0 0 245.244 3.748 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000871273016 589753466 /nfs/dbraw/zinc/75/34/66/589753466.db2.gz QTNQRTKTOSIQNY-ZETCQYMHSA-N 0 0 245.244 3.748 20 0 BHADRN CC(C)=CC(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000871273166 589753528 /nfs/dbraw/zinc/75/35/28/589753528.db2.gz XEALLKWLPAZMLO-UHFFFAOYSA-N 0 0 243.228 3.668 20 0 BHADRN CC(C)(C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000871273185 589753574 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589764872 /nfs/dbraw/zinc/76/48/72/589764872.db2.gz NIQNSGCFUSXYFQ-GASCZTMLSA-N 0 0 249.398 3.627 20 0 BHADRN CCc1sc(-c2ccnc(Cl)c2)nc1C ZINC000871598098 589772586 /nfs/dbraw/zinc/77/25/86/589772586.db2.gz FVIWHCWCTLGMST-UHFFFAOYSA-N 0 0 238.743 3.729 20 0 BHADRN CO[C@H](C)c1nc(C)c(Cc2ccccc2)s1 ZINC000871599927 589772208 /nfs/dbraw/zinc/77/22/08/589772208.db2.gz FQHDYNOECIYNQH-LLVKDONJSA-N 0 0 247.363 3.750 20 0 BHADRN CO[C@@H](C)c1nc(C)c(Cc2ccccc2)s1 ZINC000871599928 589772115 /nfs/dbraw/zinc/77/21/15/589772115.db2.gz FQHDYNOECIYNQH-NSHDSACASA-N 0 0 247.363 3.750 20 0 BHADRN CCc1sc(COCc2ccccc2)nc1C ZINC000871600205 589772247 /nfs/dbraw/zinc/77/22/47/589772247.db2.gz LDXQOFBZBNFHKC-UHFFFAOYSA-N 0 0 247.363 3.731 20 0 BHADRN CCc1sc(-c2coc(C3CC3)n2)nc1C ZINC000871600540 589768938 /nfs/dbraw/zinc/76/89/38/589768938.db2.gz UAHVWNUURGHXBO-UHFFFAOYSA-N 0 0 234.324 3.546 20 0 BHADRN CCc1sc(CCC(F)(F)F)nc1C ZINC000871600667 589773416 /nfs/dbraw/zinc/77/34/16/589773416.db2.gz WFSZYURHDKBVKI-UHFFFAOYSA-N 0 0 223.263 3.509 20 0 BHADRN Cc1ccc2nc(C3CCCC3)[nH]c(=O)c2c1C ZINC000871602461 589773650 /nfs/dbraw/zinc/77/36/50/589773650.db2.gz ZLPPCLWVPOEQIZ-UHFFFAOYSA-N 0 0 242.322 3.610 20 0 BHADRN CC[S@](=O)Cc1c(C)ccc2cc(C)ccc21 ZINC000871608669 589775639 /nfs/dbraw/zinc/77/56/39/589775639.db2.gz FMZQPPUFDQOITE-KRWDZBQOSA-N 0 0 246.375 3.725 20 0 BHADRN CC[S@@](=O)Cc1c(C)ccc2cc(C)ccc21 ZINC000871608698 589776002 /nfs/dbraw/zinc/77/60/02/589776002.db2.gz FMZQPPUFDQOITE-QGZVFWFLSA-N 0 0 246.375 3.725 20 0 BHADRN Cc1conc1CSCc1ccccc1C ZINC000871627029 589778180 /nfs/dbraw/zinc/77/81/80/589778180.db2.gz AGVCBAGVAVINNF-UHFFFAOYSA-N 0 0 233.336 3.725 20 0 BHADRN CO[C@H]1C[C@@H](CSCc2ccccc2C)C1 ZINC000871627101 636431473 /nfs/dbraw/zinc/43/14/73/636431473.db2.gz CFNUUDFIZVEQQH-XBXGTLAGSA-N 0 0 236.380 3.653 20 0 BHADRN CCC1(CC)CCCN1C(=O)Nc1ccccc1 ZINC000871629060 589778415 /nfs/dbraw/zinc/77/84/15/589778415.db2.gz CIBQNVPNLCPSLD-UHFFFAOYSA-N 0 0 246.354 3.873 20 0 BHADRN CC(=O)c1ccccc1OCSC(C)(C)C ZINC000871630460 589779372 /nfs/dbraw/zinc/77/93/72/589779372.db2.gz FJZMZVPNUPBREK-UHFFFAOYSA-N 0 0 238.352 3.757 20 0 BHADRN c1ccc(SCc2nc3c(o2)CCCC3)cc1 ZINC000871630531 583939736 /nfs/dbraw/zinc/93/97/36/583939736.db2.gz IDCUBINNPZEGEJ-UHFFFAOYSA-N 0 0 245.347 3.846 20 0 BHADRN CC(=O)c1ccc(OCSC(C)(C)C)cc1 ZINC000871630591 589779439 /nfs/dbraw/zinc/77/94/39/589779439.db2.gz KTIJZJHPINXQPB-UHFFFAOYSA-N 0 0 238.352 3.757 20 0 BHADRN FCC1(CF)CC(Sc2ccccc2)C1 ZINC000871630637 589779112 /nfs/dbraw/zinc/77/91/12/589779112.db2.gz MHTCGXSMUSTYBA-UHFFFAOYSA-N 0 0 228.307 3.867 20 0 BHADRN c1coc(CSCc2nc3c(o2)CCCC3)c1 ZINC000871631036 589779319 /nfs/dbraw/zinc/77/93/19/589779319.db2.gz DBVJIOGDCALZHF-UHFFFAOYSA-N 0 0 249.335 3.580 20 0 BHADRN Cc1conc1CSC1CCCCC1 ZINC000871631263 589779240 /nfs/dbraw/zinc/77/92/40/589779240.db2.gz AKDSBVQPKNKRSP-UHFFFAOYSA-N 0 0 211.330 3.549 20 0 BHADRN Cc1conc1CSc1ccc(C)cc1 ZINC000871631275 589779382 /nfs/dbraw/zinc/77/93/82/589779382.db2.gz AZRUHSIBCHCILY-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN C(SC1CCCC1)[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871631289 589779371 /nfs/dbraw/zinc/77/93/71/589779371.db2.gz BUSWOMUGQYSXNZ-GMXVVIOVSA-N 0 0 226.385 3.620 20 0 BHADRN C(SC1CCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871631290 589779974 /nfs/dbraw/zinc/77/99/74/589779974.db2.gz BUSWOMUGQYSXNZ-GVXVVHGQSA-N 0 0 226.385 3.620 20 0 BHADRN C(SC1CCCC1)[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000871631291 589779891 /nfs/dbraw/zinc/77/98/91/589779891.db2.gz BUSWOMUGQYSXNZ-MDZLAQPJSA-N 0 0 226.385 3.620 20 0 BHADRN C(SC1CCCC1)[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000871631292 589780217 /nfs/dbraw/zinc/78/02/17/589780217.db2.gz BUSWOMUGQYSXNZ-NTZNESFSSA-N 0 0 226.385 3.620 20 0 BHADRN CC(C)(C)SCn1cnc2ccccc21 ZINC000871631451 589779723 /nfs/dbraw/zinc/77/97/23/589779723.db2.gz QOLZKHWTJJCIBW-UHFFFAOYSA-N 0 0 220.341 3.526 20 0 BHADRN FCC1(CF)CC(SCc2ccco2)C1 ZINC000871631544 589780193 /nfs/dbraw/zinc/78/01/93/589780193.db2.gz QUBUSYYHGOETBZ-UHFFFAOYSA-N 0 0 232.295 3.601 20 0 BHADRN Cc1conc1COc1ccc(Cl)c(C)c1 ZINC000871631674 589780273 /nfs/dbraw/zinc/78/02/73/589780273.db2.gz JLILELPDFXJJGU-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN C(SC1CCCC1)c1nc2c(o1)CCCC2 ZINC000871631853 589780363 /nfs/dbraw/zinc/78/03/63/589780363.db2.gz MODBDISJDVLUKX-UHFFFAOYSA-N 0 0 237.368 3.729 20 0 BHADRN FCC1(CF)CC(SC2CCCC2)C1 ZINC000871631914 589779836 /nfs/dbraw/zinc/77/98/36/589779836.db2.gz NJBMCGWBSULOLA-UHFFFAOYSA-N 0 0 220.328 3.750 20 0 BHADRN CO[C@H]1C[C@@H](CSc2ccc(C)cc2)C1 ZINC000871631943 589779702 /nfs/dbraw/zinc/77/97/02/589779702.db2.gz OILTVRDICIKRBL-TXEJJXNPSA-N 0 0 222.353 3.512 20 0 BHADRN CC(C)CSCc1scnc1Cl ZINC000871632166 589780283 /nfs/dbraw/zinc/78/02/83/589780283.db2.gz RNNGVDZIYXEINT-UHFFFAOYSA-N 0 0 221.778 3.686 20 0 BHADRN Clc1ncsc1CSC1CCCC1 ZINC000871632233 589777560 /nfs/dbraw/zinc/77/75/60/589777560.db2.gz SKNPJOPPLIFEKU-UHFFFAOYSA-N 0 0 233.789 3.972 20 0 BHADRN Cc1conc1CSc1ccc(C)c(C)c1 ZINC000871636984 589779870 /nfs/dbraw/zinc/77/98/70/589779870.db2.gz YLRCVCXPBWHEEI-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN CC(C)(C)SCSC(=S)N1CCCC1 ZINC000871637084 589780297 /nfs/dbraw/zinc/78/02/97/589780297.db2.gz BUQAZOSDRHMWAZ-UHFFFAOYSA-N 0 0 249.470 3.590 20 0 BHADRN Cc1conc1CSc1cc(C)ccc1C ZINC000871638282 589780887 /nfs/dbraw/zinc/78/08/87/589780887.db2.gz WYWSSBJGMSPDTC-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN Cc1conc1CSc1ccc(C)cc1C ZINC000871638368 589780918 /nfs/dbraw/zinc/78/09/18/589780918.db2.gz ZPPNBCVTGYMNBU-UHFFFAOYSA-N 0 0 233.336 3.892 20 0 BHADRN Cc1conc1CSc1ccc2c(c1)CCC2 ZINC000871639105 589781221 /nfs/dbraw/zinc/78/12/21/589781221.db2.gz JPZDLPCAWDDDIB-UHFFFAOYSA-N 0 0 245.347 3.764 20 0 BHADRN CCOc1ccc(S[C@H](CC)C(C)=O)cc1 ZINC000871643987 589780736 /nfs/dbraw/zinc/78/07/36/589780736.db2.gz CEZUPUSPCMJFII-CYBMUJFWSA-N 0 0 238.352 3.545 20 0 BHADRN CCOc1ccc(S[C@@H](CC)C(C)=O)cc1 ZINC000871643988 589781096 /nfs/dbraw/zinc/78/10/96/589781096.db2.gz CEZUPUSPCMJFII-ZDUSSCGKSA-N 0 0 238.352 3.545 20 0 BHADRN CC(C)(C)SCSc1ccc(Cl)nn1 ZINC000871644600 589780982 /nfs/dbraw/zinc/78/09/82/589780982.db2.gz KCWXXFNPXHNQIR-UHFFFAOYSA-N 0 0 248.804 3.711 20 0 BHADRN CCOc1ccc(SCc2nocc2C)cc1 ZINC000871644837 589781035 /nfs/dbraw/zinc/78/10/35/589781035.db2.gz OKKWIVSQEZRMDS-UHFFFAOYSA-N 0 0 249.335 3.674 20 0 BHADRN Cc1nc(SCSC(C)(C)C)oc1C ZINC000871645802 589780898 /nfs/dbraw/zinc/78/08/98/589780898.db2.gz GUXIYYPCHQSJHC-UHFFFAOYSA-N 0 0 231.386 3.873 20 0 BHADRN CC(C)(C)SCSc1nccn1C1CC1 ZINC000871645803 589780780 /nfs/dbraw/zinc/78/07/80/589780780.db2.gz GXZDXPGGLVXTSQ-UHFFFAOYSA-N 0 0 242.413 3.799 20 0 BHADRN FCC1(CF)CC(Sc2cccs2)C1 ZINC000871648131 589781765 /nfs/dbraw/zinc/78/17/65/589781765.db2.gz GPDDSODHFRBTCC-UHFFFAOYSA-N 0 0 234.336 3.928 20 0 BHADRN Oc1ccc(SC2CC(CF)(CF)C2)cc1 ZINC000871648220 589781623 /nfs/dbraw/zinc/78/16/23/589781623.db2.gz IDUMZJKXJZUGIE-UHFFFAOYSA-N 0 0 244.306 3.572 20 0 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CC[C@H](Sc1c(F)cc(F)cc1F)C(C)=O ZINC000871649030 589781630 /nfs/dbraw/zinc/78/16/30/589781630.db2.gz BYOTUZCJLWJJIM-JTQLQIEISA-N 0 0 248.269 3.564 20 0 BHADRN CC[C@@H](Sc1c(F)cc(F)cc1F)C(C)=O ZINC000871649031 589781543 /nfs/dbraw/zinc/78/15/43/589781543.db2.gz BYOTUZCJLWJJIM-SNVBAGLBSA-N 0 0 248.269 3.564 20 0 BHADRN c1csc(SC[C@@H]2CC3(CCC3)CO2)c1 ZINC000871649184 589781723 /nfs/dbraw/zinc/78/17/23/589781723.db2.gz VEKPNWXBODJJJH-JTQLQIEISA-N 0 0 240.393 3.799 20 0 BHADRN c1csc(SC[C@H]2CC3(CCC3)CO2)c1 ZINC000871649186 589781430 /nfs/dbraw/zinc/78/14/30/589781430.db2.gz VEKPNWXBODJJJH-SNVBAGLBSA-N 0 0 240.393 3.799 20 0 BHADRN Cc1conc1CSc1ccccc1C ZINC000871649694 589781498 /nfs/dbraw/zinc/78/14/98/589781498.db2.gz JOOZNIGUXTXAIG-UHFFFAOYSA-N 0 0 219.309 3.584 20 0 BHADRN CC(C)(C)SCSc1ccc(O)cc1 ZINC000871649779 589781524 /nfs/dbraw/zinc/78/15/24/589781524.db2.gz KVIHNUQEFBYJGD-UHFFFAOYSA-N 0 0 228.382 3.974 20 0 BHADRN CC[C@@H](Sc1ccnc2ccccc21)C(C)=O ZINC000871650791 589781371 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214.355 3.516 20 0 BHADRN CC[C@H](Sc1ccc(C)s1)C(C)=O ZINC000871673980 589788355 /nfs/dbraw/zinc/78/83/55/589788355.db2.gz SLMJRKOZHBEAFW-VIFPVBQESA-N 0 0 214.355 3.516 20 0 BHADRN Cc1cnccc1SCSC(C)(C)C ZINC000871674050 589785783 /nfs/dbraw/zinc/78/57/83/589785783.db2.gz RONGDRRXNUQKHV-UHFFFAOYSA-N 0 0 227.398 3.971 20 0 BHADRN Cc1ccc(SCc2nocc2C)s1 ZINC000871674053 589788190 /nfs/dbraw/zinc/78/81/90/589788190.db2.gz UGWMMOBMCKMYIN-UHFFFAOYSA-N 0 0 225.338 3.645 20 0 BHADRN CC(C)(C)SCSc1ncccc1F ZINC000871674150 589788250 /nfs/dbraw/zinc/78/82/50/589788250.db2.gz WMIFCYQBLJSZCT-UHFFFAOYSA-N 0 0 231.361 3.802 20 0 BHADRN Cc1conc1CSCc1cccc(C)c1 ZINC000871674230 589788254 /nfs/dbraw/zinc/78/82/54/589788254.db2.gz XZNNVUCYYMRILD-UHFFFAOYSA-N 0 0 233.336 3.725 20 0 BHADRN Clc1ncsc1CSC1CCC1 ZINC000871674259 589788634 /nfs/dbraw/zinc/78/86/34/589788634.db2.gz UWNXKJBOTMNKEN-UHFFFAOYSA-N 0 0 219.762 3.582 20 0 BHADRN Cc1cnccc1SC1CC(CF)(CF)C1 ZINC000871674354 589788482 /nfs/dbraw/zinc/78/84/82/589788482.db2.gz WGTMDSFOTPWFOL-UHFFFAOYSA-N 0 0 243.322 3.570 20 0 BHADRN Cc1conc1COc1ccc(C)c(Cl)c1 ZINC000871676508 589788563 /nfs/dbraw/zinc/78/85/63/589788563.db2.gz YCPRHDYSMZNEGR-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN CC(C)(C)SCOc1ccc(C=O)c(F)c1 ZINC000871677493 589789214 /nfs/dbraw/zinc/78/92/14/589789214.db2.gz MSOPTWHANXEPGD-UHFFFAOYSA-N 0 0 242.315 3.506 20 0 BHADRN CO[C@H]1C[C@@H](CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000871677629 589789179 /nfs/dbraw/zinc/78/91/79/589789179.db2.gz BCUFOEVPRQFFNK-POQQGIQPSA-N 0 0 240.412 3.581 20 0 BHADRN CO[C@H]1C[C@@H](CSC[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000871677630 589789374 /nfs/dbraw/zinc/78/93/74/589789374.db2.gz BCUFOEVPRQFFNK-RGDJUOJXSA-N 0 0 240.412 3.581 20 0 BHADRN CC(C)(C)SCOc1cnc(Cl)c(F)c1 ZINC000871677722 589789193 /nfs/dbraw/zinc/78/91/93/589789193.db2.gz DRVZVLGJIBORGS-UHFFFAOYSA-N 0 0 249.738 3.742 20 0 BHADRN Cc1conc1CSC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000871678019 589789217 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/nfs/dbraw/zinc/79/34/13/589793413.db2.gz SUBAERPGMFYCPD-UHFFFAOYSA-N 0 0 210.220 3.552 20 0 BHADRN Cc1conc1CSCc1ccc(C)cc1 ZINC000871697152 589792940 /nfs/dbraw/zinc/79/29/40/589792940.db2.gz RBOYAPOBQKQVPZ-UHFFFAOYSA-N 0 0 233.336 3.725 20 0 BHADRN Cc1conc1CS[C@H](C)c1ccccc1 ZINC000871697253 589793225 /nfs/dbraw/zinc/79/32/25/589793225.db2.gz SCWCLRRHAYHSSW-LLVKDONJSA-N 0 0 233.336 3.977 20 0 BHADRN Cc1conc1CSCc1ccc(F)cc1 ZINC000871697771 589792982 /nfs/dbraw/zinc/79/29/82/589792982.db2.gz XYCNIOOCPAIQJB-UHFFFAOYSA-N 0 0 237.299 3.556 20 0 BHADRN C/C=C\CSCc1scnc1Cl ZINC000871697929 589794105 /nfs/dbraw/zinc/79/41/05/589794105.db2.gz CHTHWJIXLZIKTH-IHWYPQMZSA-N 0 0 219.762 3.606 20 0 BHADRN C/C=C/CSCc1scnc1Cl ZINC000871697930 589794309 /nfs/dbraw/zinc/79/43/09/589794309.db2.gz CHTHWJIXLZIKTH-NSCUHMNNSA-N 0 0 219.762 3.606 20 0 BHADRN FCC1(CF)CC(SCC2CCC2)C1 ZINC000871698534 589793865 /nfs/dbraw/zinc/79/38/65/589793865.db2.gz BGRRVMKGPFXMIZ-UHFFFAOYSA-N 0 0 220.328 3.608 20 0 BHADRN FCCCSCc1cc(C(F)(F)F)co1 ZINC000871700277 589793873 /nfs/dbraw/zinc/79/38/73/589793873.db2.gz JJGGRYVVCRHABU-UHFFFAOYSA-N 0 0 242.237 3.891 20 0 BHADRN Cc1conc1CSCCc1cccs1 ZINC000871701469 589794873 /nfs/dbraw/zinc/79/48/73/589794873.db2.gz GLXDQLSEMJVUKF-UHFFFAOYSA-N 0 0 239.365 3.520 20 0 BHADRN CC/C=C/CCSC[C@H]1C[C@@H](OC)C1 ZINC000871701641 589794866 /nfs/dbraw/zinc/79/48/66/589794866.db2.gz LUPBERGWASQUGG-AHWSKYQCSA-N 0 0 214.374 3.501 20 0 BHADRN CC/C=C\CCSC[C@H]1C[C@@H](OC)C1 ZINC000871701642 589794893 /nfs/dbraw/zinc/79/48/93/589794893.db2.gz LUPBERGWASQUGG-SKXBYLJPSA-N 0 0 214.374 3.501 20 0 BHADRN FCC1(CF)CC(SCC2CCCC2)C1 ZINC000871701739 589794875 /nfs/dbraw/zinc/79/48/75/589794875.db2.gz PKWLKVMERCZOBS-UHFFFAOYSA-N 0 0 234.355 3.998 20 0 BHADRN CO[C@H]1C[C@@H](CSCCC(C)(C)C)C1 ZINC000871701787 589794865 /nfs/dbraw/zinc/79/48/65/589794865.db2.gz RMZZDBIYGNGTLN-PHIMTYICSA-N 0 0 216.390 3.581 20 0 BHADRN CC/C=C\CCSCc1nocc1C ZINC000871701809 589794923 /nfs/dbraw/zinc/79/49/23/589794923.db2.gz SNKJXYVAOSIWIY-PLNGDYQASA-N 0 0 211.330 3.573 20 0 BHADRN CC/C=C/CCSCc1nocc1C ZINC000871701810 589794965 /nfs/dbraw/zinc/79/49/65/589794965.db2.gz SNKJXYVAOSIWIY-SNAWJCMRSA-N 0 0 211.330 3.573 20 0 BHADRN Cc1conc1CSCCC(C)(C)C ZINC000871701900 589794948 /nfs/dbraw/zinc/79/49/48/589794948.db2.gz XDCLTRHYMNNZBA-UHFFFAOYSA-N 0 0 213.346 3.652 20 0 BHADRN O[C@@H](CCSCCC1CC1)c1ccccc1 ZINC000871702115 589794554 /nfs/dbraw/zinc/79/45/54/589794554.db2.gz FRFOTDCIFCUUPM-AWEZNQCLSA-N 0 0 236.380 3.643 20 0 BHADRN O[C@H](CCSCCC1CC1)c1ccccc1 ZINC000871702116 589794710 /nfs/dbraw/zinc/79/47/10/589794710.db2.gz FRFOTDCIFCUUPM-CQSZACIVSA-N 0 0 236.380 3.643 20 0 BHADRN FCCCCSCc1scnc1Cl ZINC000871702441 712625269 /nfs/dbraw/zinc/62/52/69/712625269.db2.gz BQKRGBKRGLMJIO-UHFFFAOYSA-N 0 0 239.768 3.779 20 0 BHADRN FCCCCSC1CC(CF)(CF)C1 ZINC000871702495 712625318 /nfs/dbraw/zinc/62/53/18/712625318.db2.gz CGMCDNHPDWISSB-UHFFFAOYSA-N 0 0 226.307 3.557 20 0 BHADRN FCCCCCSC1CC(CF)(CF)C1 ZINC000871702794 645762965 /nfs/dbraw/zinc/76/29/65/645762965.db2.gz HAHRUKZYCXZYRT-UHFFFAOYSA-N 0 0 240.334 3.947 20 0 BHADRN O[C@H](CCSCCCCF)c1ccccc1 ZINC000871703073 589795379 /nfs/dbraw/zinc/79/53/79/589795379.db2.gz LMYPFAKWRWHZMC-CYBMUJFWSA-N 0 0 242.359 3.593 20 0 BHADRN O[C@@H](CCSCCCCF)c1ccccc1 ZINC000871703074 589795289 /nfs/dbraw/zinc/79/52/89/589795289.db2.gz LMYPFAKWRWHZMC-ZDUSSCGKSA-N 0 0 242.359 3.593 20 0 BHADRN FCC1(CF)CC(SCC2=CCCC2)C1 ZINC000871704315 589795384 /nfs/dbraw/zinc/79/53/84/589795384.db2.gz NNGWVKCGOSVKEY-UHFFFAOYSA-N 0 0 232.339 3.918 20 0 BHADRN Cc1conc1CSCC=C(Cl)Cl ZINC000871705072 589795359 /nfs/dbraw/zinc/79/53/59/589795359.db2.gz FJSWBXUAVADSPX-UHFFFAOYSA-N 0 0 238.139 3.535 20 0 BHADRN CC(C)=CCCSCc1nocc1C ZINC000871705188 589795401 /nfs/dbraw/zinc/79/54/01/589795401.db2.gz IZRDFJYWGROXJQ-UHFFFAOYSA-N 0 0 211.330 3.573 20 0 BHADRN FCC1(CF)CC(SCCC2CCC2)C1 ZINC000871705211 589795209 /nfs/dbraw/zinc/79/52/09/589795209.db2.gz JKSXEJIJSGCITK-UHFFFAOYSA-N 0 0 234.355 3.998 20 0 BHADRN FCC1(CF)CC(SCC2CC=CC2)C1 ZINC000871705641 589796277 /nfs/dbraw/zinc/79/62/77/589796277.db2.gz WPFGZMAEDNDYGH-UHFFFAOYSA-N 0 0 232.339 3.774 20 0 BHADRN CO[C@H]1C[C@@H](CSCCC=C(C)C)C1 ZINC000871705699 636480614 /nfs/dbraw/zinc/48/06/14/636480614.db2.gz YKABKDSHLHQYLV-TXEJJXNPSA-N 0 0 214.374 3.501 20 0 BHADRN FCC1(CF)CC(SCCCC2CC2)C1 ZINC000871706127 589796607 /nfs/dbraw/zinc/79/66/07/589796607.db2.gz MGSZDYRRXXDUKO-UHFFFAOYSA-N 0 0 234.355 3.998 20 0 BHADRN Cc1conc1CSC[C@@H]1CCC(F)(F)C1 ZINC000871706167 589796336 /nfs/dbraw/zinc/79/63/36/589796336.db2.gz MYEDMSAJQBJVID-SECBINFHSA-N 0 0 247.310 3.652 20 0 BHADRN Cc1conc1CSC[C@H]1CCC(F)(F)C1 ZINC000871706168 636480607 /nfs/dbraw/zinc/48/06/07/636480607.db2.gz MYEDMSAJQBJVID-VIFPVBQESA-N 0 0 247.310 3.652 20 0 BHADRN CO[C@H]1C[C@@H](CS[C@@H](C)CC(C)C)C1 ZINC000871713325 583942305 /nfs/dbraw/zinc/94/23/05/583942305.db2.gz UVAMUXABOHNXLA-SDDRHHMPSA-N 0 0 216.390 3.579 20 0 BHADRN CO[C@H]1C[C@@H](CS[C@H](C)CC(C)C)C1 ZINC000871713326 583942309 /nfs/dbraw/zinc/94/23/09/583942309.db2.gz UVAMUXABOHNXLA-UTUOFQBUSA-N 0 0 216.390 3.579 20 0 BHADRN Cc1conc1CS[C@@H](C)CC(C)C ZINC000871714330 589797068 /nfs/dbraw/zinc/79/70/68/589797068.db2.gz QRUHRRHIVRBBCZ-JTQLQIEISA-N 0 0 213.346 3.651 20 0 BHADRN Cc1conc1CS[C@H](C)CC(C)C ZINC000871714331 589797311 /nfs/dbraw/zinc/79/73/11/589797311.db2.gz QRUHRRHIVRBBCZ-SNVBAGLBSA-N 0 0 213.346 3.651 20 0 BHADRN Cc1conc1CSC/C(Cl)=C\Cl ZINC000871714394 589797239 /nfs/dbraw/zinc/79/72/39/589797239.db2.gz TZUCURCDKKXJSQ-FARCUNLSSA-N 0 0 238.139 3.535 20 0 BHADRN Cc1conc1CSC/C(Cl)=C/Cl ZINC000871714395 589796883 /nfs/dbraw/zinc/79/68/83/589796883.db2.gz TZUCURCDKKXJSQ-UQCOIBPSSA-N 0 0 238.139 3.535 20 0 BHADRN CC(=O)c1cccc(OCC2CCCC2)c1F ZINC000871714606 589797297 /nfs/dbraw/zinc/79/72/97/589797297.db2.gz AHNSCPBAGAFJHJ-UHFFFAOYSA-N 0 0 236.286 3.597 20 0 BHADRN CC(=O)c1cccc(OCCCC2CC2)c1F ZINC000871714849 589797394 /nfs/dbraw/zinc/79/73/94/589797394.db2.gz BOUVAZVLYRAUGW-UHFFFAOYSA-N 0 0 236.286 3.597 20 0 BHADRN CC/C=C\CCOc1cccc(C(C)=O)c1F ZINC000871715067 589797001 /nfs/dbraw/zinc/79/70/01/589797001.db2.gz AGJVPHPQKOKAAH-PLNGDYQASA-N 0 0 236.286 3.763 20 0 BHADRN CC/C=C/CCOc1cccc(C(C)=O)c1F ZINC000871715068 589796940 /nfs/dbraw/zinc/79/69/40/589796940.db2.gz AGJVPHPQKOKAAH-SNAWJCMRSA-N 0 0 236.286 3.763 20 0 BHADRN CC(=O)c1cccc(OCCCCCF)c1F ZINC000871715215 589796952 /nfs/dbraw/zinc/79/69/52/589796952.db2.gz CRGOIKZBGGXDPE-UHFFFAOYSA-N 0 0 242.265 3.547 20 0 BHADRN CCCCCOc1cccc(C(C)=O)c1F ZINC000871715384 583942323 /nfs/dbraw/zinc/94/23/23/583942323.db2.gz IPENZQPTNNAUBQ-UHFFFAOYSA-N 0 0 224.275 3.597 20 0 BHADRN CC(C)=CCCOc1cccc(C(C)=O)c1F ZINC000871716375 589797017 /nfs/dbraw/zinc/79/70/17/589797017.db2.gz JXZQJGSZLSECIL-UHFFFAOYSA-N 0 0 236.286 3.763 20 0 BHADRN CC(=O)c1cccc(O[C@@H]2C=CCCC2)c1F ZINC000871716630 589796991 /nfs/dbraw/zinc/79/69/91/589796991.db2.gz NTJUSGUPKWINQQ-LLVKDONJSA-N 0 0 234.270 3.516 20 0 BHADRN CC(=O)c1cccc(O[C@H]2C=CCCC2)c1F ZINC000871716633 589797190 /nfs/dbraw/zinc/79/71/90/589797190.db2.gz NTJUSGUPKWINQQ-NSHDSACASA-N 0 0 234.270 3.516 20 0 BHADRN CC(=O)c1cccc(OCCC2CCC2)c1F ZINC000871717023 589797730 /nfs/dbraw/zinc/79/77/30/589797730.db2.gz PIUWYJSVULMFAC-UHFFFAOYSA-N 0 0 236.286 3.597 20 0 BHADRN CC(=O)c1cccc(OCC2=CCCC2)c1F ZINC000871717033 589797744 /nfs/dbraw/zinc/79/77/44/589797744.db2.gz PKOCVFKBDWBLHS-UHFFFAOYSA-N 0 0 234.270 3.517 20 0 BHADRN CC(=O)c1cccc(OCSC(C)C)c1F ZINC000871717809 589797911 /nfs/dbraw/zinc/79/79/11/589797911.db2.gz XMUUWYINUAVERW-UHFFFAOYSA-N 0 0 242.315 3.506 20 0 BHADRN CO[C@H]1C[C@@H](COc2ccc3ccccc3c2)C1 ZINC000871717931 589797919 /nfs/dbraw/zinc/79/79/19/589797919.db2.gz ACZPLOVVIHZKEQ-DRQUAOQDSA-N 0 0 242.318 3.644 20 0 BHADRN Cc1ccc(OCc2coc(C3CC3)n2)cc1C ZINC000871717995 589797743 /nfs/dbraw/zinc/79/77/43/589797743.db2.gz BMJNXWYKGLDJKC-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN Cc1cccc(C)c1OCc1coc(C2CC2)n1 ZINC000871718412 589797663 /nfs/dbraw/zinc/79/76/63/589797663.db2.gz JEFSBJROACJGJF-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN CCc1ccc(OCc2coc(C3CC3)n2)cc1 ZINC000871719231 589798048 /nfs/dbraw/zinc/79/80/48/589798048.db2.gz UTDYYIPFZNKHGQ-UHFFFAOYSA-N 0 0 243.306 3.693 20 0 BHADRN FCC1(CF)CC(Oc2ccccc2Cl)C1 ZINC000871719282 589797973 /nfs/dbraw/zinc/79/79/73/589797973.db2.gz QYOUOWRKYNFASV-UHFFFAOYSA-N 0 0 246.684 3.807 20 0 BHADRN Cc1cccc(OCc2coc(C3CC3)n2)c1C ZINC000871719324 589798171 /nfs/dbraw/zinc/79/81/71/589798171.db2.gz FHIGCUBNUCCOAI-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN CCc1cccc(OCc2coc(C3CC3)n2)c1 ZINC000871721127 589797887 /nfs/dbraw/zinc/79/78/87/589797887.db2.gz SWVUSBZSMCSSGH-UHFFFAOYSA-N 0 0 243.306 3.693 20 0 BHADRN Cc1conc1COc1cccc(C(C)C)c1 ZINC000871721867 589799015 /nfs/dbraw/zinc/79/90/15/589799015.db2.gz CNRFJWJHXYZTCV-UHFFFAOYSA-N 0 0 231.295 3.685 20 0 BHADRN Cc1ccc(OCc2coc(C3CC3)n2)c(C)c1 ZINC000871722536 589798575 /nfs/dbraw/zinc/79/85/75/589798575.db2.gz MWZBEVKSCQVMHO-UHFFFAOYSA-N 0 0 243.306 3.748 20 0 BHADRN C[C@H](Cn1ccc(=O)c2ccccc21)C(C)(C)C ZINC000871732371 589800260 /nfs/dbraw/zinc/80/02/60/589800260.db2.gz ATQNHMUYWILNEY-GFCCVEGCSA-N 0 0 243.350 3.684 20 0 BHADRN C[C@@H](Cn1ccc(=O)c2ccccc21)C(C)(C)C ZINC000871732372 589800232 /nfs/dbraw/zinc/80/02/32/589800232.db2.gz ATQNHMUYWILNEY-LBPRGKRZSA-N 0 0 243.350 3.684 20 0 BHADRN CC(C)(C)SCCCOc1cccnc1F ZINC000871736142 589801017 /nfs/dbraw/zinc/80/10/17/589801017.db2.gz BZPSANKFGBWZDY-UHFFFAOYSA-N 0 0 243.347 3.521 20 0 BHADRN Cc1cc(OCc2coc(C3CC3)n2)ccc1F ZINC000871737432 589801984 /nfs/dbraw/zinc/80/19/84/589801984.db2.gz FZTVEDFXVCUTLE-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN C[C@@H](Cn1nc(C2CC2)nc1C1CC1)C(C)(C)C ZINC000871738029 589801846 /nfs/dbraw/zinc/80/18/46/589801846.db2.gz UOPRDRGSOAUKKE-JTQLQIEISA-N 0 0 247.386 3.715 20 0 BHADRN C[C@H](Cn1nc(C2CC2)nc1C1CC1)C(C)(C)C ZINC000871738030 589802112 /nfs/dbraw/zinc/80/21/12/589802112.db2.gz UOPRDRGSOAUKKE-SNVBAGLBSA-N 0 0 247.386 3.715 20 0 BHADRN CCSc1ccccc1OCc1nocc1C ZINC000871738625 589801653 /nfs/dbraw/zinc/80/16/53/589801653.db2.gz PYNYFHIOGXBHHX-UHFFFAOYSA-N 0 0 249.335 3.674 20 0 BHADRN Cc1cc(F)ccc1OCc1coc(C2CC2)n1 ZINC000871738777 589802082 /nfs/dbraw/zinc/80/20/82/589802082.db2.gz UFRIHZACMWCSOA-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN Cc1cccc(OC2CC(CF)(CF)C2)c1F ZINC000871739891 589802751 /nfs/dbraw/zinc/80/27/51/589802751.db2.gz DDMWCHYTSHDGHY-UHFFFAOYSA-N 0 0 244.256 3.601 20 0 BHADRN Cc1conc1COc1cccc(C)c1Cl ZINC000871747880 589804210 /nfs/dbraw/zinc/80/42/10/589804210.db2.gz PCXKTTFMKQSUAB-UHFFFAOYSA-N 0 0 237.686 3.524 20 0 BHADRN Cc1ccc(OC2CC(CF)(CF)C2)cc1F ZINC000871748881 589804700 /nfs/dbraw/zinc/80/47/00/589804700.db2.gz JRPVNRADMUTCPH-UHFFFAOYSA-N 0 0 244.256 3.601 20 0 BHADRN Cc1ccc(OCc2coc(C3CC3)n2)cc1F ZINC000871749286 589804442 /nfs/dbraw/zinc/80/44/42/589804442.db2.gz QMXZEYGVLAAMEX-UHFFFAOYSA-N 0 0 247.269 3.579 20 0 BHADRN CC(C)(C)SCCCn1cc(C2CC2)cn1 ZINC000871758652 589807903 /nfs/dbraw/zinc/80/79/03/589807903.db2.gz HFAUPTKIEDDFRW-UHFFFAOYSA-N 0 0 238.400 3.682 20 0 BHADRN CCC[C@H](CC)c1nc(-c2cccc(N)c2)no1 ZINC000871789227 589819099 /nfs/dbraw/zinc/81/90/99/589819099.db2.gz SRHDQQFFCQOUPC-JTQLQIEISA-N 0 0 245.326 3.613 20 0 BHADRN CCC[C@@H](CC)c1nc(-c2cccc(N)c2)no1 ZINC000871789228 589819003 /nfs/dbraw/zinc/81/90/03/589819003.db2.gz SRHDQQFFCQOUPC-SNVBAGLBSA-N 0 0 245.326 3.613 20 0 BHADRN CC(=O)c1cc(OCC2=CCCC2)ccc1F ZINC000871801483 589820269 /nfs/dbraw/zinc/82/02/69/589820269.db2.gz DGGDCVCBMVZQAO-UHFFFAOYSA-N 0 0 234.270 3.517 20 0 BHADRN CC(=O)c1cc(OCCCCCF)ccc1F ZINC000871802397 589821116 /nfs/dbraw/zinc/82/11/16/589821116.db2.gz YWMCTWJFAAPUAO-UHFFFAOYSA-N 0 0 242.265 3.547 20 0 BHADRN CC(=O)c1cccc(OCC2(C)CCC2)c1F ZINC000871802503 589820682 /nfs/dbraw/zinc/82/06/82/589820682.db2.gz IMEQIRXIPPHFIO-UHFFFAOYSA-N 0 0 236.286 3.597 20 0 BHADRN Cc1conc1CNc1c(C)cc(C)cc1C ZINC000871808128 589820657 /nfs/dbraw/zinc/82/06/57/589820657.db2.gz XCIWDCJEBJSBST-UHFFFAOYSA-N 0 0 230.311 3.520 20 0 BHADRN CC(=O)Nc1cccc(NCCCC2CC2)c1C ZINC000871811256 589820805 /nfs/dbraw/zinc/82/08/05/589820805.db2.gz NMGAAVMVZOWQKV-UHFFFAOYSA-N 0 0 246.354 3.556 20 0 BHADRN CC(C)c1noc(-c2sccc2C(F)F)n1 ZINC000871821902 589821782 /nfs/dbraw/zinc/82/17/82/589821782.db2.gz PPRUQIACJRVCHH-UHFFFAOYSA-N 0 0 244.266 3.859 20 0 BHADRN CC(=O)Nc1ccc(C)cc1NCCCC1CC1 ZINC000871824066 589821513 /nfs/dbraw/zinc/82/15/13/589821513.db2.gz UZWPJGCXLXUMBS-UHFFFAOYSA-N 0 0 246.354 3.556 20 0 BHADRN FC(F)c1ccsc1-c1nc(C2CC2)no1 ZINC000871824990 589822139 /nfs/dbraw/zinc/82/21/39/589822139.db2.gz AIQQPULOOKEDSD-UHFFFAOYSA-N 0 0 242.250 3.613 20 0 BHADRN CCC[C@@H](CC)c1nc(-c2ncccc2C)no1 ZINC000871826512 589821483 /nfs/dbraw/zinc/82/14/83/589821483.db2.gz VOWJBDOMTWJMKY-LLVKDONJSA-N 0 0 245.326 3.734 20 0 BHADRN CCC[C@H](CC)c1nc(-c2ncccc2C)no1 ZINC000871826513 589821831 /nfs/dbraw/zinc/82/18/31/589821831.db2.gz VOWJBDOMTWJMKY-NSHDSACASA-N 0 0 245.326 3.734 20 0 BHADRN CCC[C@@H](CC)c1nc(-c2cncc(C)c2)no1 ZINC000871827474 589821899 /nfs/dbraw/zinc/82/18/99/589821899.db2.gz BIRXJDBFMKQKQK-LLVKDONJSA-N 0 0 245.326 3.734 20 0 BHADRN CCC[C@H](CC)c1nc(-c2cncc(C)c2)no1 ZINC000871827475 589821412 /nfs/dbraw/zinc/82/14/12/589821412.db2.gz BIRXJDBFMKQKQK-NSHDSACASA-N 0 0 245.326 3.734 20 0 BHADRN CCC[C@@H](CC)c1nc(-c2ccc(C)nc2)no1 ZINC000871829792 589821973 /nfs/dbraw/zinc/82/19/73/589821973.db2.gz OIZPHVHAEOGHDR-LLVKDONJSA-N 0 0 245.326 3.734 20 0 BHADRN CCC[C@H](CC)c1nc(-c2ccc(C)nc2)no1 ZINC000871829793 589822036 /nfs/dbraw/zinc/82/20/36/589822036.db2.gz OIZPHVHAEOGHDR-NSHDSACASA-N 0 0 245.326 3.734 20 0 BHADRN CSc1ccc(C)c(NCc2nocc2C)c1 ZINC000871831161 589822869 /nfs/dbraw/zinc/82/28/69/589822869.db2.gz JEZPQRQHSONQRV-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN CCc1ccc(NCc2nocc2C)cc1CC ZINC000871831411 589822457 /nfs/dbraw/zinc/82/24/57/589822457.db2.gz UEVXLZMVZNUJKE-UHFFFAOYSA-N 0 0 244.338 3.720 20 0 BHADRN Cc1cccc(F)c1NCc1coc(C2CC2)n1 ZINC000871831555 589822826 /nfs/dbraw/zinc/82/28/26/589822826.db2.gz WAZDPOIZMBHOEC-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN CSc1cccc(NCc2nocc2C)c1C ZINC000871831561 589823046 /nfs/dbraw/zinc/82/30/46/589823046.db2.gz WKVCPZDUIZOKPQ-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN CCC[C@@H](C)c1noc(C2(C)CC(F)(F)C2)n1 ZINC000871831563 589822780 /nfs/dbraw/zinc/82/27/80/589822780.db2.gz WPPQOJPRENYMDG-MRVPVSSYSA-N 0 0 244.285 3.660 20 0 BHADRN CCC[C@H](C)c1noc(C2(C)CC(F)(F)C2)n1 ZINC000871831564 589822908 /nfs/dbraw/zinc/82/29/08/589822908.db2.gz WPPQOJPRENYMDG-QMMMGPOBSA-N 0 0 244.285 3.660 20 0 BHADRN CCC(CC)c1noc(C2(C)CC(F)(F)C2)n1 ZINC000871831726 589822964 /nfs/dbraw/zinc/82/29/64/589822964.db2.gz BCUVYGBLKRJBRT-UHFFFAOYSA-N 0 0 244.285 3.660 20 0 BHADRN CSc1cccc(C)c1NCc1nocc1C ZINC000871831984 589822888 /nfs/dbraw/zinc/82/28/88/589822888.db2.gz MARYAAWHNGOVKY-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN CCC[C@@H](CC)c1nc([C@H]2CCCS2)no1 ZINC000871835042 589822867 /nfs/dbraw/zinc/82/28/67/589822867.db2.gz GCWIAQUKGUDGOE-NXEZZACHSA-N 0 0 240.372 3.931 20 0 BHADRN CCC[C@H](CC)c1nc([C@@H]2CCCS2)no1 ZINC000871835043 589823026 /nfs/dbraw/zinc/82/30/26/589823026.db2.gz GCWIAQUKGUDGOE-UWVGGRQHSA-N 0 0 240.372 3.931 20 0 BHADRN CCC[C@H](CC)c1nc([C@H]2CCCS2)no1 ZINC000871835044 589822806 /nfs/dbraw/zinc/82/28/06/589822806.db2.gz GCWIAQUKGUDGOE-VHSXEESVSA-N 0 0 240.372 3.931 20 0 BHADRN CCC[C@@H](CC)c1nc([C@@H]2CCCS2)no1 ZINC000871835045 589822890 /nfs/dbraw/zinc/82/28/90/589822890.db2.gz GCWIAQUKGUDGOE-ZJUUUORDSA-N 0 0 240.372 3.931 20 0 BHADRN CC(=O)c1cc(NCCCC2CC2)ccc1F ZINC000871838452 589823672 /nfs/dbraw/zinc/82/36/72/589823672.db2.gz VTCLCIPMLKTHAC-UHFFFAOYSA-N 0 0 235.302 3.630 20 0 BHADRN O=c1[nH]ccc2ccc(NCCCC3CC3)cc21 ZINC000871838527 589823528 /nfs/dbraw/zinc/82/35/28/589823528.db2.gz APVGDPCNHZVPQC-UHFFFAOYSA-N 0 0 242.322 3.543 20 0 BHADRN Cc1conc1CNc1ccccc1C(F)F ZINC000871839317 589823404 /nfs/dbraw/zinc/82/34/04/589823404.db2.gz QVZYSZTYSXHZKF-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN CSc1cc(C)ccc1NCc1nocc1C ZINC000871839811 589823230 /nfs/dbraw/zinc/82/32/30/589823230.db2.gz UAMXWHIKHAOQCH-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN CCC[C@@H](CC)c1nc(-c2ccc(F)cn2)no1 ZINC000871840470 589823257 /nfs/dbraw/zinc/82/32/57/589823257.db2.gz GSAKXNVWZFCXGD-SECBINFHSA-N 0 0 249.289 3.564 20 0 BHADRN CCC[C@H](CC)c1nc(-c2ccc(F)cn2)no1 ZINC000871840472 589823283 /nfs/dbraw/zinc/82/32/83/589823283.db2.gz GSAKXNVWZFCXGD-VIFPVBQESA-N 0 0 249.289 3.564 20 0 BHADRN Cc1conc1CNc1ccc(Cl)c(C)c1 ZINC000871840688 589823882 /nfs/dbraw/zinc/82/38/82/589823882.db2.gz KMGQRBBIOASLHK-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN CC(=O)Nc1ccccc1NC[C@@H](C)C(C)(C)C ZINC000871841709 589823556 /nfs/dbraw/zinc/82/35/56/589823556.db2.gz LKGURAVNBHNGDG-LLVKDONJSA-N 0 0 248.370 3.739 20 0 BHADRN CC(=O)Nc1ccccc1NC[C@H](C)C(C)(C)C ZINC000871841710 589823798 /nfs/dbraw/zinc/82/37/98/589823798.db2.gz LKGURAVNBHNGDG-NSHDSACASA-N 0 0 248.370 3.739 20 0 BHADRN CCC[C@H](CC)c1nc([C@](C)(CC)OC)no1 ZINC000871847642 589824192 /nfs/dbraw/zinc/82/41/92/589824192.db2.gz NHCCNGMXUZLQKQ-GWCFXTLKSA-N 0 0 240.347 3.635 20 0 BHADRN CCC[C@H](CC)c1nc([C@@](C)(CC)OC)no1 ZINC000871847643 589824322 /nfs/dbraw/zinc/82/43/22/589824322.db2.gz NHCCNGMXUZLQKQ-GXFFZTMASA-N 0 0 240.347 3.635 20 0 BHADRN CCC[C@@H](CC)c1nc([C@](C)(CC)OC)no1 ZINC000871847644 589824441 /nfs/dbraw/zinc/82/44/41/589824441.db2.gz NHCCNGMXUZLQKQ-MFKMUULPSA-N 0 0 240.347 3.635 20 0 BHADRN CCC[C@@H](CC)c1nc([C@@](C)(CC)OC)no1 ZINC000871847645 589824770 /nfs/dbraw/zinc/82/47/70/589824770.db2.gz NHCCNGMXUZLQKQ-ZWNOBZJWSA-N 0 0 240.347 3.635 20 0 BHADRN CCC[C@@H](CC)c1nc([C@@H](CCC)OC)no1 ZINC000871849135 589825062 /nfs/dbraw/zinc/82/50/62/589825062.db2.gz ZCBPUNJKYHIYHG-GHMZBOCLSA-N 0 0 240.347 3.851 20 0 BHADRN CCC[C@@H](CC)c1nc([C@H](CCC)OC)no1 ZINC000871849138 589825488 /nfs/dbraw/zinc/82/54/88/589825488.db2.gz ZCBPUNJKYHIYHG-MNOVXSKESA-N 0 0 240.347 3.851 20 0 BHADRN CCC[C@H](CC)c1nc([C@H](CCC)OC)no1 ZINC000871849139 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/nfs/dbraw/zinc/13/62/36/590136236.db2.gz QJGNQOFXCHJQOT-NSHDSACASA-N 0 0 249.379 3.544 20 0 BHADRN CC(C)=C(C)C(=O)Nc1cscc1Cl ZINC000874811069 590138975 /nfs/dbraw/zinc/13/89/75/590138975.db2.gz DHEYQJCVYSSVHS-UHFFFAOYSA-N 0 0 229.732 3.696 20 0 BHADRN CC/C(C)=C\C(=O)Nc1cscc1Cl ZINC000874811114 590138758 /nfs/dbraw/zinc/13/87/58/590138758.db2.gz DPZIWBQWRGEZSS-DAXSKMNVSA-N 0 0 229.732 3.696 20 0 BHADRN CC/C(C)=C/C(=O)Nc1cscc1Cl ZINC000874811115 590138842 /nfs/dbraw/zinc/13/88/42/590138842.db2.gz DPZIWBQWRGEZSS-QPJJXVBHSA-N 0 0 229.732 3.696 20 0 BHADRN CC(C)(C)/C=C\C(=O)Nc1cscc1Cl ZINC000874811336 590138878 /nfs/dbraw/zinc/13/88/78/590138878.db2.gz JGXGDLNWGLNBLW-PLNGDYQASA-N 0 0 243.759 3.942 20 0 BHADRN CC(C)(C)/C=C/C(=O)Nc1cscc1Cl ZINC000874811337 590139131 /nfs/dbraw/zinc/13/91/31/590139131.db2.gz JGXGDLNWGLNBLW-SNAWJCMRSA-N 0 0 243.759 3.942 20 0 BHADRN CCC/C=C\C(=O)Nc1cscc1Cl ZINC000874811340 590138950 /nfs/dbraw/zinc/13/89/50/590138950.db2.gz JJELUDLHZSTVFS-PLNGDYQASA-N 0 0 229.732 3.696 20 0 BHADRN CCC/C=C/C(=O)Nc1cscc1Cl ZINC000874811341 590139062 /nfs/dbraw/zinc/13/90/62/590139062.db2.gz JJELUDLHZSTVFS-SNAWJCMRSA-N 0 0 229.732 3.696 20 0 BHADRN O=C(Nc1cscc1Cl)C(F)=C1CCC1 ZINC000874811348 590138821 /nfs/dbraw/zinc/13/88/21/590138821.db2.gz JNFZHWMJIWEHQC-UHFFFAOYSA-N 0 0 245.706 3.748 20 0 BHADRN C/C=C(/CC)C(=O)Nc1cscc1Cl ZINC000874811606 590138803 /nfs/dbraw/zinc/13/88/03/590138803.db2.gz PPIQVVGSTNUAKA-CLTKARDFSA-N 0 0 229.732 3.696 20 0 BHADRN C/C=C(\CC)C(=O)Nc1cscc1Cl ZINC000874811607 590139121 /nfs/dbraw/zinc/13/91/21/590139121.db2.gz PPIQVVGSTNUAKA-XVNBXDOJSA-N 0 0 229.732 3.696 20 0 BHADRN CC(C(=O)Nc1cscc1Cl)=C1CCC1 ZINC000874811955 590138834 /nfs/dbraw/zinc/13/88/34/590138834.db2.gz XFJIVBANCINLMR-UHFFFAOYSA-N 0 0 241.743 3.840 20 0 BHADRN O=C(Nc1cscc1Cl)C1(F)CCCC1 ZINC000874811963 590138979 /nfs/dbraw/zinc/13/89/79/590138979.db2.gz XMBVTHFFZRJTFE-UHFFFAOYSA-N 0 0 247.722 3.622 20 0 BHADRN CC1(C)CC(C(=O)Nc2cscc2Cl)C1 ZINC000874812002 590139188 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Cc1ccc(C(=O)Oc2ccc(C(C)C)cc2)o1 ZINC000874963376 590157798 /nfs/dbraw/zinc/15/77/98/590157798.db2.gz RLPNFWFOXWXXAC-UHFFFAOYSA-N 0 0 244.290 3.931 20 0 BHADRN CC(C)CC(=O)Oc1ccc(C(C)C)cc1 ZINC000874973600 590158564 /nfs/dbraw/zinc/15/85/64/590158564.db2.gz NIRONAGVIQNQGG-UHFFFAOYSA-N 0 0 220.312 3.762 20 0 BHADRN CCCC(=O)Oc1cc(Cl)cc(Cl)c1 ZINC000874975640 590158418 /nfs/dbraw/zinc/15/84/18/590158418.db2.gz DNDUBUILFWEVQL-UHFFFAOYSA-N 0 0 233.094 3.699 20 0 BHADRN O=C(Oc1cc(Cl)cc(Cl)c1)C1CCC1 ZINC000874976322 590157639 /nfs/dbraw/zinc/15/76/39/590157639.db2.gz BVIFZPLLTZMWBW-UHFFFAOYSA-N 0 0 245.105 3.699 20 0 BHADRN CC(C)CC(=O)Oc1cc(Cl)cc(Cl)c1 ZINC000874976905 590158383 /nfs/dbraw/zinc/15/83/83/590158383.db2.gz LPXYTSULBHJJIY-UHFFFAOYSA-N 0 0 247.121 3.945 20 0 BHADRN CC(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1 ZINC000874977091 590158551 /nfs/dbraw/zinc/15/85/51/590158551.db2.gz PKQABZAQAPXRKX-UHFFFAOYSA-N 0 0 247.121 3.945 20 0 BHADRN CCc1ccccc1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000875018031 590159320 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PYXKNCFPDBUNIM-ONEGZZNKSA-N 0 0 244.334 3.536 20 0 BHADRN Cc1cccc(C2(C(=O)OCC(C)C)CCC2)c1 ZINC000875615648 590166534 /nfs/dbraw/zinc/16/65/34/590166534.db2.gz SICFFPYKZUJUJW-UHFFFAOYSA-N 0 0 246.350 3.616 20 0 BHADRN CCC[C@@H](CC)C(=O)N(CC)c1cccnc1C ZINC000875660966 590167821 /nfs/dbraw/zinc/16/78/21/590167821.db2.gz JJAKMNALPUHNMD-CYBMUJFWSA-N 0 0 248.370 3.569 20 0 BHADRN CCC[C@H](CC)C(=O)N(CC)c1cccnc1C ZINC000875660967 590167747 /nfs/dbraw/zinc/16/77/47/590167747.db2.gz JJAKMNALPUHNMD-ZDUSSCGKSA-N 0 0 248.370 3.569 20 0 BHADRN CCC[C@@H](CC)C(=O)N(CC)c1ncccc1C ZINC000875663642 590167868 /nfs/dbraw/zinc/16/78/68/590167868.db2.gz UXDUIXOXDMJBJX-CYBMUJFWSA-N 0 0 248.370 3.569 20 0 BHADRN CCC[C@H](CC)C(=O)N(CC)c1ncccc1C ZINC000875663643 590167740 /nfs/dbraw/zinc/16/77/40/590167740.db2.gz UXDUIXOXDMJBJX-ZDUSSCGKSA-N 0 0 248.370 3.569 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC000875750239 590170510 /nfs/dbraw/zinc/17/05/10/590170510.db2.gz VOOFDPZGSVZOLG-GZBFAFLISA-N 0 0 237.387 3.604 20 0 BHADRN CCCC[C@H](C)N(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000875750241 590170424 /nfs/dbraw/zinc/17/04/24/590170424.db2.gz VOOFDPZGSVZOLG-YDHLFZDLSA-N 0 0 237.387 3.604 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000875817724 590173051 /nfs/dbraw/zinc/17/30/51/590173051.db2.gz AOONYBQLVDQOBS-HUBLWGQQSA-N 0 0 237.387 3.508 20 0 BHADRN CCC(C)(C)[C@H](C)NC(=O)[C@]12C[C@H]1CCCC2 ZINC000875817726 590172937 /nfs/dbraw/zinc/17/29/37/590172937.db2.gz AOONYBQLVDQOBS-YWPYICTPSA-N 0 0 237.387 3.508 20 0 BHADRN CCC[C@H](CC)C(=O)Nc1nc(C(C)C)co1 ZINC000875983474 590181375 /nfs/dbraw/zinc/18/13/75/590181375.db2.gz SXZWEILKBFQCJF-JTQLQIEISA-N 0 0 238.331 3.563 20 0 BHADRN CCC[C@@H](CC)C(=O)Nc1nc(C(C)C)co1 ZINC000875983475 590181186 /nfs/dbraw/zinc/18/11/86/590181186.db2.gz SXZWEILKBFQCJF-SNVBAGLBSA-N 0 0 238.331 3.563 20 0 BHADRN CC(C)c1coc(NC(=O)C=C2CCCCC2)n1 ZINC000875984051 590181053 /nfs/dbraw/zinc/18/10/53/590181053.db2.gz DQYBKRXHPSBRPF-UHFFFAOYSA-N 0 0 248.326 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CCC1(C(=O)N(C)[C@H](C)c2ccccc2C)CC1 ZINC000876311483 590194856 /nfs/dbraw/zinc/19/48/56/590194856.db2.gz UCBCVYBOMUEOSI-CYBMUJFWSA-N 0 0 245.366 3.705 20 0 BHADRN Cc1ccccc1[C@@H](C)N(C)C(=O)C(C)(C)C ZINC000876311698 590194846 /nfs/dbraw/zinc/19/48/46/590194846.db2.gz YTLGKEPBNMOMLD-GFCCVEGCSA-N 0 0 233.355 3.561 20 0 BHADRN Cc1ccccc1[C@H](C)N(C)C(=O)C(C)(C)C ZINC000876311699 590194602 /nfs/dbraw/zinc/19/46/02/590194602.db2.gz YTLGKEPBNMOMLD-LBPRGKRZSA-N 0 0 233.355 3.561 20 0 BHADRN Cc1ccccc1[C@@H](C)N(C)C(=O)C1(C)CCC1 ZINC000876311704 590194703 /nfs/dbraw/zinc/19/47/03/590194703.db2.gz ZARGFVHZBAQVFU-CYBMUJFWSA-N 0 0 245.366 3.705 20 0 BHADRN CCN(C(=O)[C@H](C)C1CC1)c1cccc(C)c1F ZINC000876312340 590194727 /nfs/dbraw/zinc/19/47/27/590194727.db2.gz DUYCSKVRQHVROC-LLVKDONJSA-N 0 0 249.329 3.533 20 0 BHADRN CCN(C(=O)[C@@H](C)C1CC1)c1cccc(C)c1F ZINC000876312341 590194864 /nfs/dbraw/zinc/19/48/64/590194864.db2.gz DUYCSKVRQHVROC-NSHDSACASA-N 0 0 249.329 3.533 20 0 BHADRN CC[C@H](C)C(=O)N(CC)c1cccc(C)c1F ZINC000876312734 590194665 /nfs/dbraw/zinc/19/46/65/590194665.db2.gz JCUVDTRSRFMQQB-JTQLQIEISA-N 0 0 237.318 3.533 20 0 BHADRN CC[C@@H](C)C(=O)N(CC)c1cccc(C)c1F ZINC000876312735 590194577 /nfs/dbraw/zinc/19/45/77/590194577.db2.gz JCUVDTRSRFMQQB-SNVBAGLBSA-N 0 0 237.318 3.533 20 0 BHADRN Cc1cc(C(=O)Oc2ccccc2)sc1C ZINC000876314509 590194640 /nfs/dbraw/zinc/19/46/40/590194640.db2.gz CNEJPWBMQZUFHP-UHFFFAOYSA-N 0 0 232.304 3.584 20 0 BHADRN CCc1sc(C(=O)Oc2ccccc2)cc1C ZINC000876315760 590194840 /nfs/dbraw/zinc/19/48/40/590194840.db2.gz URIXNDYEIUTVPJ-UHFFFAOYSA-N 0 0 246.331 3.838 20 0 BHADRN Cc1cccc(C)c1OC(=O)[C@@H]1CC=CCC1 ZINC000876343667 590195820 /nfs/dbraw/zinc/19/58/20/590195820.db2.gz BATKOHBQTFVKMZ-CYBMUJFWSA-N 0 0 230.307 3.565 20 0 BHADRN Cc1cccc(C)c1OC(=O)[C@H]1CC=CCC1 ZINC000876343668 590196009 /nfs/dbraw/zinc/19/60/09/590196009.db2.gz BATKOHBQTFVKMZ-ZDUSSCGKSA-N 0 0 230.307 3.565 20 0 BHADRN Cc1ccc(C(=O)Oc2c(C)cccc2C)s1 ZINC000876353026 590196262 /nfs/dbraw/zinc/19/62/62/590196262.db2.gz BFCOBOYBGMMRQO-UHFFFAOYSA-N 0 0 246.331 3.893 20 0 BHADRN Cc1cccc(C)c1OC(=O)c1cccc(F)c1 ZINC000876353310 590196165 /nfs/dbraw/zinc/19/61/65/590196165.db2.gz BSUDBYRMRHEGDW-UHFFFAOYSA-N 0 0 244.265 3.662 20 0 BHADRN CCC[C@@H](C)C(=O)Oc1c(C)cccc1C ZINC000876353398 590196404 /nfs/dbraw/zinc/19/64/04/590196404.db2.gz CZSOPDNOHALSIM-GFCCVEGCSA-N 0 0 220.312 3.645 20 0 BHADRN CCC[C@H](C)C(=O)Oc1c(C)cccc1C ZINC000876353420 590196319 /nfs/dbraw/zinc/19/63/19/590196319.db2.gz CZSOPDNOHALSIM-LBPRGKRZSA-N 0 0 220.312 3.645 20 0 BHADRN CCCCCC(=O)Oc1c(C)cccc1C ZINC000876353505 590196482 /nfs/dbraw/zinc/19/64/82/590196482.db2.gz HMXFDEDRBHGUCG-UHFFFAOYSA-N 0 0 220.312 3.789 20 0 BHADRN Cc1cccc(C)c1OC(=O)CC(C)(C)C ZINC000876353993 590196188 /nfs/dbraw/zinc/19/61/88/590196188.db2.gz JGGTVJUIAMIJLZ-UHFFFAOYSA-N 0 0 220.312 3.645 20 0 BHADRN Cc1cccc(C)c1OC(=O)CC1CCCC1 ZINC000876354065 590196302 /nfs/dbraw/zinc/19/63/02/590196302.db2.gz MDVUBPJBNIYHFJ-UHFFFAOYSA-N 0 0 232.323 3.789 20 0 BHADRN CCC(CC)C(=O)Oc1c(C)cccc1C ZINC000876354600 590196307 /nfs/dbraw/zinc/19/63/07/590196307.db2.gz PZTOHTINSPVAMS-UHFFFAOYSA-N 0 0 220.312 3.645 20 0 BHADRN Cc1cc(C(=O)Oc2c(C)cccc2C)c(C)o1 ZINC000876355015 590196266 /nfs/dbraw/zinc/19/62/66/590196266.db2.gz ZFKHCBCBBQQUAM-UHFFFAOYSA-N 0 0 244.290 3.732 20 0 BHADRN Cc1ccsc1C(=O)Oc1c(C)cccc1C ZINC000876355204 590196333 /nfs/dbraw/zinc/19/63/33/590196333.db2.gz ZJFCIJUUWYGFGF-UHFFFAOYSA-N 0 0 246.331 3.893 20 0 BHADRN CCCC(=O)Nc1ccc(F)cc1C(C)(F)F ZINC000876402086 590197209 /nfs/dbraw/zinc/19/72/09/590197209.db2.gz ZECHJSSXATWHPS-UHFFFAOYSA-N 0 0 245.244 3.676 20 0 BHADRN CC(C)C(=O)Nc1ccc(F)cc1C(C)(F)F ZINC000876402110 590197179 /nfs/dbraw/zinc/19/71/79/590197179.db2.gz ZWVFJQYUQOTKEF-UHFFFAOYSA-N 0 0 245.244 3.532 20 0 BHADRN O=C(/C=C\c1ccco1)Oc1cccc(Cl)c1 ZINC000876478336 590201570 /nfs/dbraw/zinc/20/15/70/590201570.db2.gz HANNRPIVVHXUOI-SREVYHEPSA-N 0 0 248.665 3.552 20 0 BHADRN 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244.212 3.577 20 0 BHADRN Cc1coc(C(=O)N(C)[C@@H](C)C2CCCCC2)c1 ZINC000879796423 590874333 /nfs/dbraw/zinc/87/43/33/590874333.db2.gz LOTPKEIWXMPXMX-LBPRGKRZSA-N 0 0 249.354 3.629 20 0 BHADRN C/C=C/C=C\C(=O)Oc1ccc(Cl)cc1F ZINC000879863732 590884764 /nfs/dbraw/zinc/88/47/64/590884764.db2.gz JHZKGLCVEDJGJY-IAROGAJJSA-N 0 0 240.661 3.517 20 0 BHADRN C/C=C/C=C/C(=O)Oc1ccc(Cl)cc1F ZINC000879863734 590885285 /nfs/dbraw/zinc/88/52/85/590885285.db2.gz JHZKGLCVEDJGJY-MQQKCMAXSA-N 0 0 240.661 3.517 20 0 BHADRN CCCC(C)(C)NC(=O)CC(C)(C)CC(F)F ZINC000879881299 590886124 /nfs/dbraw/zinc/88/61/24/590886124.db2.gz PIOLUCATDMMWSI-UHFFFAOYSA-N 0 0 249.345 3.753 20 0 BHADRN Cc1coc(C(=O)N(C)[C@H](C)C2CCCCC2)c1 ZINC000879890477 590887367 /nfs/dbraw/zinc/88/73/67/590887367.db2.gz LOTPKEIWXMPXMX-GFCCVEGCSA-N 0 0 249.354 3.629 20 0 BHADRN CCC[C@@H](C)CCC[NH2+][C@@H](C)c1nccnc1C ZINC000880109498 590926900 /nfs/dbraw/zinc/92/69/00/590926900.db2.gz YFANBKITDGHRSQ-OLZOCXBDSA-N 0 0 249.402 3.652 20 0 BHADRN CCC[C@H](C)CCC[NH2+][C@H](C)c1nccnc1C ZINC000880109499 590926691 /nfs/dbraw/zinc/92/66/91/590926691.db2.gz YFANBKITDGHRSQ-QWHCGFSZSA-N 0 0 249.402 3.652 20 0 BHADRN CCC[C@H](C)CCC[NH2+][C@@H](C)c1nccnc1C ZINC000880109500 590926485 /nfs/dbraw/zinc/92/64/85/590926485.db2.gz YFANBKITDGHRSQ-STQMWFEESA-N 0 0 249.402 3.652 20 0 BHADRN Cc1coc(C(=O)N2CCC[C@@]2(C)CC(C)C)c1 ZINC000880179382 590951449 /nfs/dbraw/zinc/95/14/49/590951449.db2.gz FCIZMMDGHYJGBQ-HNNXBMFYSA-N 0 0 249.354 3.629 20 0 BHADRN Cc1coc(C(=O)N2CCC[C@]2(C)CC(C)C)c1 ZINC000880179383 590951059 /nfs/dbraw/zinc/95/10/59/590951059.db2.gz FCIZMMDGHYJGBQ-OAHLLOKOSA-N 0 0 249.354 3.629 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CC[C@H]1C(C)C ZINC000880198503 590956461 /nfs/dbraw/zinc/95/64/61/590956461.db2.gz BTTWBDULNTZLDB-AWEZNQCLSA-N 0 0 244.338 3.592 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CC[C@@H]1C(C)C ZINC000880198504 590956538 /nfs/dbraw/zinc/95/65/38/590956538.db2.gz BTTWBDULNTZLDB-CQSZACIVSA-N 0 0 244.338 3.592 20 0 BHADRN C=Cc1ccccc1NC(=O)N(CCC)C(C)C ZINC000880199252 590957498 /nfs/dbraw/zinc/95/74/98/590957498.db2.gz PCIXZVSYBVBGBJ-UHFFFAOYSA-N 0 0 246.354 3.982 20 0 BHADRN C=Cc1ccccc1NC(=O)NC1(C)CC=CC1 ZINC000880199632 590957494 /nfs/dbraw/zinc/95/74/94/590957494.db2.gz VFRCDIVIOLRVNO-UHFFFAOYSA-N 0 0 242.322 3.560 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CC(C)(CC)C1 ZINC000880203000 590957447 /nfs/dbraw/zinc/95/74/47/590957447.db2.gz ZVUGUJHQFUCABR-UHFFFAOYSA-N 0 0 244.338 3.593 20 0 BHADRN C=Cc1ccccc1NC(=O)N(CC)CC1CC1 ZINC000880205019 590958496 /nfs/dbraw/zinc/95/84/96/590958496.db2.gz LOMWLUYYUFODSD-UHFFFAOYSA-N 0 0 244.338 3.593 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CCC=C(C)C1 ZINC000880206433 590958843 /nfs/dbraw/zinc/95/88/43/590958843.db2.gz GDMPWMQINGXLBO-UHFFFAOYSA-N 0 0 242.322 3.514 20 0 BHADRN C=Cc1ccccc1NC(=O)N(CCC)C1CC1 ZINC000880207683 590958547 /nfs/dbraw/zinc/95/85/47/590958547.db2.gz KIMGUYXMDFVAIC-UHFFFAOYSA-N 0 0 244.338 3.736 20 0 BHADRN C=Cc1ccccc1NC(=O)N(C)C[C@H](C)CC ZINC000880207776 590958482 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C=Cc1ccccc1NC(=O)N(C)[C@H](C)CCC ZINC000880214065 590959234 /nfs/dbraw/zinc/95/92/34/590959234.db2.gz ZWYBLMORHCNHCC-GFCCVEGCSA-N 0 0 246.354 3.982 20 0 BHADRN C=Cc1ccccc1NC(=O)N(C)[C@@H](C)CCC ZINC000880214067 590959441 /nfs/dbraw/zinc/95/94/41/590959441.db2.gz ZWYBLMORHCNHCC-LBPRGKRZSA-N 0 0 246.354 3.982 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CCCCCC1 ZINC000880214280 590959611 /nfs/dbraw/zinc/95/96/11/590959611.db2.gz BYXULFIXYQNTLC-UHFFFAOYSA-N 0 0 244.338 3.738 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CCC[C@@H](C)C1 ZINC000880214423 590959426 /nfs/dbraw/zinc/95/94/26/590959426.db2.gz FCJRAOFPBCHBEE-GFCCVEGCSA-N 0 0 244.338 3.593 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CCC[C@H](C)C1 ZINC000880214424 590959711 /nfs/dbraw/zinc/95/97/11/590959711.db2.gz FCJRAOFPBCHBEE-LBPRGKRZSA-N 0 0 244.338 3.593 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CCC[C@H]1CC ZINC000880214925 590959563 /nfs/dbraw/zinc/95/95/63/590959563.db2.gz PHAMZRXZDVYLOC-CYBMUJFWSA-N 0 0 244.338 3.736 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CCC[C@@H]1CC ZINC000880214926 590959668 /nfs/dbraw/zinc/95/96/68/590959668.db2.gz PHAMZRXZDVYLOC-ZDUSSCGKSA-N 0 0 244.338 3.736 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CCCC[C@H]1C ZINC000880215123 590959543 /nfs/dbraw/zinc/95/95/43/590959543.db2.gz UYGYLVIPPYEZOS-GFCCVEGCSA-N 0 0 244.338 3.736 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CCCC[C@@H]1C ZINC000880215124 590959489 /nfs/dbraw/zinc/95/94/89/590959489.db2.gz UYGYLVIPPYEZOS-LBPRGKRZSA-N 0 0 244.338 3.736 20 0 BHADRN C=Cc1ccccc1NC(=O)N1CCC(C)CC1 ZINC000880215182 590959677 /nfs/dbraw/zinc/95/96/77/590959677.db2.gz VYBXIBCOTCDHIF-UHFFFAOYSA-N 0 0 244.338 3.593 20 0 BHADRN C=Cc1ccccc1NC(=O)N(CC)C(C)C ZINC000880215280 590959566 /nfs/dbraw/zinc/95/95/66/590959566.db2.gz URFMOTLTVWHNBW-UHFFFAOYSA-N 0 0 232.327 3.592 20 0 BHADRN C=Cc1ccccc1NC(=O)N(C)CCCC ZINC000880215326 590959736 /nfs/dbraw/zinc/95/97/36/590959736.db2.gz ZCTOJPFCKOVLBG-UHFFFAOYSA-N 0 0 232.327 3.593 20 0 BHADRN CCC1(NC(=O)CC(C)(C)CC(F)F)CCC1 ZINC000880261091 590980210 /nfs/dbraw/zinc/98/02/10/590980210.db2.gz IGTCQSVJSNFJCO-UHFFFAOYSA-N 0 0 247.329 3.507 20 0 BHADRN C/C=C/C=C/C(=O)OCc1cc2ccccc2o1 ZINC000880302892 590998794 /nfs/dbraw/zinc/99/87/94/590998794.db2.gz KOUMJTRVOPVATQ-DSXPNFDZSA-N 0 0 242.274 3.608 20 0 BHADRN C/C=C/C=C\C(=O)OCc1cc2ccccc2o1 ZINC000880302893 590998351 /nfs/dbraw/zinc/99/83/51/590998351.db2.gz KOUMJTRVOPVATQ-OQIXSKIXSA-N 0 0 242.274 3.608 20 0 BHADRN CCCCCC(C)(C)C(=O)Nc1conc1C ZINC000880447684 591046941 /nfs/dbraw/zinc/04/69/41/591046941.db2.gz JFDOCSSLFZEPHL-UHFFFAOYSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCCC[C@H](C)C(=O)Nc1conc1C ZINC000880448422 591047654 /nfs/dbraw/zinc/04/76/54/591047654.db2.gz NKUCADUVQRMAAA-JTQLQIEISA-N 0 0 238.331 3.528 20 0 BHADRN CCCCCC[C@@H](C)C(=O)Nc1conc1C ZINC000880448423 591047536 /nfs/dbraw/zinc/04/75/36/591047536.db2.gz NKUCADUVQRMAAA-SNVBAGLBSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCC[C@H](C)CC(=O)Nc1conc1C ZINC000880448704 591047397 /nfs/dbraw/zinc/04/73/97/591047397.db2.gz SCNJYGBKZUGBHI-JTQLQIEISA-N 0 0 238.331 3.528 20 0 BHADRN CCCCC[C@@H](C)CC(=O)Nc1conc1C ZINC000880448705 591047488 /nfs/dbraw/zinc/04/74/88/591047488.db2.gz SCNJYGBKZUGBHI-SNVBAGLBSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCC[C@@H](CC)C(=O)Nc1conc1C ZINC000880448834 583539452 /nfs/dbraw/zinc/53/94/52/583539452.db2.gz WBVPROATVLEFGI-LLVKDONJSA-N 0 0 238.331 3.528 20 0 BHADRN CCCCC[C@H](CC)C(=O)Nc1conc1C ZINC000880448835 583539718 /nfs/dbraw/zinc/53/97/18/583539718.db2.gz WBVPROATVLEFGI-NSHDSACASA-N 0 0 238.331 3.528 20 0 BHADRN Cc1nocc1NC(=O)CCCCCC(C)C ZINC000880449064 591047517 /nfs/dbraw/zinc/04/75/17/591047517.db2.gz YVWWOGSUCAKOCI-UHFFFAOYSA-N 0 0 238.331 3.528 20 0 BHADRN CC(C)C(C)(C)NC(=O)CC(C)(C)CC(F)F ZINC000880532706 591084834 /nfs/dbraw/zinc/08/48/34/591084834.db2.gz BTMSYYLXIJPXMM-UHFFFAOYSA-N 0 0 249.345 3.609 20 0 BHADRN C[C@@H](NC(=O)CC(C)(C)CC(F)F)C(C)(C)C ZINC000880579245 591099946 /nfs/dbraw/zinc/09/99/46/591099946.db2.gz PWHJGOAQGROOQT-SECBINFHSA-N 0 0 249.345 3.609 20 0 BHADRN CCCN(C(=O)CC(C)(C)CC(F)F)C(C)C ZINC000880618898 591110459 /nfs/dbraw/zinc/11/04/59/591110459.db2.gz QRIBOIDPEKTUNX-UHFFFAOYSA-N 0 0 249.345 3.705 20 0 BHADRN CC[C@@H]1CCC[C@]1(C)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000880623878 591110639 /nfs/dbraw/zinc/11/06/39/591110639.db2.gz BYNMYKIDNBFENH-FQLMCAECSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000880623879 591110808 /nfs/dbraw/zinc/11/08/08/591110808.db2.gz BYNMYKIDNBFENH-KNCOVGOOSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@H]1CCC[C@@]1(C)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000880623880 591110317 /nfs/dbraw/zinc/11/03/17/591110317.db2.gz BYNMYKIDNBFENH-RZLSGREXSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@H]1CCC[C@]1(C)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000880623881 591111649 /nfs/dbraw/zinc/11/16/49/591111649.db2.gz BYNMYKIDNBFENH-YXWQFLTLSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@H](C)N(CC)C(=O)CC(C)(C)CC(F)F ZINC000880656651 591119708 /nfs/dbraw/zinc/11/97/08/591119708.db2.gz LEDABXLDDGUWCU-JTQLQIEISA-N 0 0 249.345 3.705 20 0 BHADRN CC[C@@H](C)N(CC)C(=O)CC(C)(C)CC(F)F ZINC000880656652 591120636 /nfs/dbraw/zinc/12/06/36/591120636.db2.gz LEDABXLDDGUWCU-SNVBAGLBSA-N 0 0 249.345 3.705 20 0 BHADRN CC[C@H](C)CCNC(=O)CC(C)(C)CC(F)F ZINC000880672336 591122624 /nfs/dbraw/zinc/12/26/24/591122624.db2.gz WEKZPYJNSJDBCP-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN CC[C@@H](C)CCNC(=O)CC(C)(C)CC(F)F ZINC000880672337 591122394 /nfs/dbraw/zinc/12/23/94/591122394.db2.gz WEKZPYJNSJDBCP-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN CCCCCN(C(=O)c1cc(C)co1)C(C)C ZINC000880864506 591148140 /nfs/dbraw/zinc/14/81/40/591148140.db2.gz PEZONHKOMLJWDD-UHFFFAOYSA-N 0 0 237.343 3.629 20 0 BHADRN CCN(C(=O)Nc1cscc1Cl)C(C)C ZINC000880979736 591155778 /nfs/dbraw/zinc/15/57/78/591155778.db2.gz YUGSFZVHTDXZIL-UHFFFAOYSA-N 0 0 246.763 3.664 20 0 BHADRN CCC1(CC)CCCN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000881462010 591207855 /nfs/dbraw/zinc/20/78/55/591207855.db2.gz QFOKPMBXYLWPMJ-KBPBESRZSA-N 0 0 249.398 3.604 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)CCC(C)C ZINC000881467357 591209045 /nfs/dbraw/zinc/20/90/45/591209045.db2.gz YKQLPPSWYJBSPK-CYBMUJFWSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@H](C)NC(=O)CCC(C)C ZINC000881467358 591209108 /nfs/dbraw/zinc/20/91/08/591209108.db2.gz YKQLPPSWYJBSPK-ZDUSSCGKSA-N 0 0 227.392 3.898 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1CC[C@H]1C ZINC000881480444 591210808 /nfs/dbraw/zinc/21/08/08/591210808.db2.gz UPUUMKWHJOTTEB-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1CC[C@H]1C ZINC000881480445 591210552 /nfs/dbraw/zinc/21/05/52/591210552.db2.gz UPUUMKWHJOTTEB-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@@H](CC)C(=O)N1CC[C@@H]1C ZINC000881480446 591210762 /nfs/dbraw/zinc/21/07/62/591210762.db2.gz UPUUMKWHJOTTEB-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@H](CC)C(=O)N1CC[C@@H]1C ZINC000881480447 591210564 /nfs/dbraw/zinc/21/05/64/591210564.db2.gz UPUUMKWHJOTTEB-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)N1CC[C@H]1C ZINC000881480644 591210541 /nfs/dbraw/zinc/21/05/41/591210541.db2.gz YRAHKVVXMFCXMZ-CHWSQXEVSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@@H](C)CC(=O)N1CC[C@@H]1C ZINC000881480645 591210771 /nfs/dbraw/zinc/21/07/71/591210771.db2.gz YRAHKVVXMFCXMZ-OLZOCXBDSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1CC[C@H]1C ZINC000881480646 591210858 /nfs/dbraw/zinc/21/08/58/591210858.db2.gz YRAHKVVXMFCXMZ-QWHCGFSZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCCC[C@H](C)CC(=O)N1CC[C@@H]1C ZINC000881480647 591210895 /nfs/dbraw/zinc/21/08/95/591210895.db2.gz YRAHKVVXMFCXMZ-STQMWFEESA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CC[C@@H]1C ZINC000881481571 591211810 /nfs/dbraw/zinc/21/18/10/591211810.db2.gz HNJXEUUDFLVBHT-GXTWGEPZSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CC[C@@H]1C ZINC000881481572 591211412 /nfs/dbraw/zinc/21/14/12/591211412.db2.gz HNJXEUUDFLVBHT-JSGCOSHPSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@](C)(CC)C(=O)N1CC[C@H]1C ZINC000881481573 591211633 /nfs/dbraw/zinc/21/16/33/591211633.db2.gz HNJXEUUDFLVBHT-OCCSQVGLSA-N 0 0 225.376 3.604 20 0 BHADRN CCCCC[C@@](C)(CC)C(=O)N1CC[C@H]1C ZINC000881481574 591211585 /nfs/dbraw/zinc/21/15/85/591211585.db2.gz HNJXEUUDFLVBHT-TZMCWYRMSA-N 0 0 225.376 3.604 20 0 BHADRN CC(C)c1ccsc1C(=O)NC[C@@H]1C=CCC1 ZINC000881493184 591216301 /nfs/dbraw/zinc/21/63/01/591216301.db2.gz SEXXNFXXMSLVAP-LLVKDONJSA-N 0 0 249.379 3.568 20 0 BHADRN CC(C)c1ccsc1C(=O)NC[C@H]1C=CCC1 ZINC000881493185 591216082 /nfs/dbraw/zinc/21/60/82/591216082.db2.gz SEXXNFXXMSLVAP-NSHDSACASA-N 0 0 249.379 3.568 20 0 BHADRN CCCCCCC(=O)NCC1(C)CC(F)(F)C1 ZINC000881522152 591228734 /nfs/dbraw/zinc/22/87/34/591228734.db2.gz JHCAXZSAFRFWAL-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN CCC[C@@H](C)CCNC(=O)[C@H](CC)CC(F)F ZINC000881531423 591231236 /nfs/dbraw/zinc/23/12/36/591231236.db2.gz IDJWSEQXCCRVSR-GHMZBOCLSA-N 0 0 249.345 3.610 20 0 BHADRN CCC[C@@H](C)CCNC(=O)[C@@H](CC)CC(F)F ZINC000881531424 591230994 /nfs/dbraw/zinc/23/09/94/591230994.db2.gz IDJWSEQXCCRVSR-MNOVXSKESA-N 0 0 249.345 3.610 20 0 BHADRN CCC[C@H](C)CCNC(=O)[C@@H](CC)CC(F)F ZINC000881531425 591231219 /nfs/dbraw/zinc/23/12/19/591231219.db2.gz IDJWSEQXCCRVSR-QWRGUYRKSA-N 0 0 249.345 3.610 20 0 BHADRN CCC[C@H](C)CCNC(=O)[C@H](CC)CC(F)F ZINC000881531426 636024491 /nfs/dbraw/zinc/02/44/91/636024491.db2.gz IDJWSEQXCCRVSR-WDEREUQCSA-N 0 0 249.345 3.610 20 0 BHADRN CCC[C@@H](C)CCNC(=O)c1ccoc1C1CC1 ZINC000881531433 591231050 /nfs/dbraw/zinc/23/10/50/591231050.db2.gz IGRHRENIJNTCOD-LLVKDONJSA-N 0 0 249.354 3.713 20 0 BHADRN CCC[C@H](C)CCNC(=O)c1ccoc1C1CC1 ZINC000881531434 591231371 /nfs/dbraw/zinc/23/13/71/591231371.db2.gz IGRHRENIJNTCOD-NSHDSACASA-N 0 0 249.354 3.713 20 0 BHADRN CCCCCCC(=O)NCC(C)(C)CC(F)F ZINC000881534624 591232553 /nfs/dbraw/zinc/23/25/53/591232553.db2.gz YMHUOQMUAKOSPQ-UHFFFAOYSA-N 0 0 249.345 3.754 20 0 BHADRN CCC[C@H](C)CC(=O)NCC(C)(C)CC(F)F ZINC000881535105 591232518 /nfs/dbraw/zinc/23/25/18/591232518.db2.gz JYHWHRXVLAOGOC-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN CCC[C@@H](C)CC(=O)NCC(C)(C)CC(F)F ZINC000881535106 591232416 /nfs/dbraw/zinc/23/24/16/591232416.db2.gz JYHWHRXVLAOGOC-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN CC(C)(C)CCC(=O)NCC(C)(C)CC(F)F ZINC000881535488 591233388 /nfs/dbraw/zinc/23/33/88/591233388.db2.gz FLXBHNJTABEZLT-UHFFFAOYSA-N 0 0 249.345 3.610 20 0 BHADRN CCC(=CC(=O)NCC(C)(C)CC(F)F)CC ZINC000881535722 591233406 /nfs/dbraw/zinc/23/34/06/591233406.db2.gz HTSMGAJGSBUJLK-UHFFFAOYSA-N 0 0 247.329 3.530 20 0 BHADRN CCC(C)(C)CC(=O)NCC(C)(C)CC(F)F ZINC000881535999 591233287 /nfs/dbraw/zinc/23/32/87/591233287.db2.gz OQSYPJZYFKONOO-UHFFFAOYSA-N 0 0 249.345 3.610 20 0 BHADRN CCC(CC)CC(=O)NCC(C)(C)CC(F)F ZINC000881536171 591232881 /nfs/dbraw/zinc/23/28/81/591232881.db2.gz WAGSVSPTIPJYST-UHFFFAOYSA-N 0 0 249.345 3.610 20 0 BHADRN CC[C@H](C)CCC(=O)NCC(C)(C)CC(F)F ZINC000881536411 591232903 /nfs/dbraw/zinc/23/29/03/591232903.db2.gz CCFJGFPFFHMCHV-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN CC[C@@H](C)CCC(=O)NCC(C)(C)CC(F)F ZINC000881536412 591233540 /nfs/dbraw/zinc/23/35/40/591233540.db2.gz CCFJGFPFFHMCHV-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN CCCC[C@H](C)C(=O)NCC(C)(C)CC(F)F ZINC000881536581 591233090 /nfs/dbraw/zinc/23/30/90/591233090.db2.gz FJLDUQBSFZWJJZ-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN CCCC[C@@H](C)C(=O)NCC(C)(C)CC(F)F ZINC000881536582 591233399 /nfs/dbraw/zinc/23/33/99/591233399.db2.gz FJLDUQBSFZWJJZ-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN CCC/C(C)=C/C(=O)NCC(C)(C)CC(F)F ZINC000881537284 591233133 /nfs/dbraw/zinc/23/31/33/591233133.db2.gz WKQWAQRLXHCDNU-JXMROGBWSA-N 0 0 247.329 3.530 20 0 BHADRN CCC/C(C)=C\C(=O)NCC(C)(C)CC(F)F ZINC000881537285 591233029 /nfs/dbraw/zinc/23/30/29/591233029.db2.gz WKQWAQRLXHCDNU-YFHOEESVSA-N 0 0 247.329 3.530 20 0 BHADRN CCCC(C)(C)C(=O)NCC(C)(C)CC(F)F ZINC000881538532 591233282 /nfs/dbraw/zinc/23/32/82/591233282.db2.gz MARHOGWBFPLJIN-UHFFFAOYSA-N 0 0 249.345 3.610 20 0 BHADRN CC(C)CCCC(=O)NCC(C)(C)CC(F)F ZINC000881538580 591233122 /nfs/dbraw/zinc/23/31/22/591233122.db2.gz OFXITTOHUWAQHG-UHFFFAOYSA-N 0 0 249.345 3.610 20 0 BHADRN CCC(C)(CC)C(=O)NCC(C)(C)CC(F)F ZINC000881539775 591234218 /nfs/dbraw/zinc/23/42/18/591234218.db2.gz ULTPLXLIDHZHHD-UHFFFAOYSA-N 0 0 249.345 3.610 20 0 BHADRN CCC[C@H](CC)C(=O)NCC(C)(C)CC(F)F ZINC000881540002 591233734 /nfs/dbraw/zinc/23/37/34/591233734.db2.gz JSBIWMKJRXIZRG-JTQLQIEISA-N 0 0 249.345 3.610 20 0 BHADRN CCC[C@@H](CC)C(=O)NCC(C)(C)CC(F)F ZINC000881540003 591234285 /nfs/dbraw/zinc/23/42/85/591234285.db2.gz JSBIWMKJRXIZRG-SNVBAGLBSA-N 0 0 249.345 3.610 20 0 BHADRN C=C/C=C/CCNC(=O)c1sccc1C(C)C ZINC000881564513 591240306 /nfs/dbraw/zinc/24/03/06/591240306.db2.gz RAJHOJHYORXCNB-AATRIKPKSA-N 0 0 249.379 3.734 20 0 BHADRN C=C/C=C\CCNC(=O)c1sccc1C(C)C ZINC000881564514 591240181 /nfs/dbraw/zinc/24/01/81/591240181.db2.gz RAJHOJHYORXCNB-WAYWQWQTSA-N 0 0 249.379 3.734 20 0 BHADRN C=C/C=C\CCNC(=O)c1cc(C(C)C)oc1C ZINC000881566417 591241279 /nfs/dbraw/zinc/24/12/79/591241279.db2.gz ALPQARVSPQWNOY-SREVYHEPSA-N 0 0 247.338 3.574 20 0 BHADRN C=C/C=C/CCNC(=O)c1cc(C(C)C)oc1C ZINC000881566418 591241388 /nfs/dbraw/zinc/24/13/88/591241388.db2.gz ALPQARVSPQWNOY-VOTSOKGWSA-N 0 0 247.338 3.574 20 0 BHADRN CCCCCC(=O)NCC[C@H]1CCCC1(F)F ZINC000881585158 591242209 /nfs/dbraw/zinc/24/22/09/591242209.db2.gz IYLVTMINXIXTSK-LLVKDONJSA-N 0 0 247.329 3.508 20 0 BHADRN CCCCCC(=O)NCC[C@@H]1CCCC1(F)F ZINC000881585159 591242902 /nfs/dbraw/zinc/24/29/02/591242902.db2.gz IYLVTMINXIXTSK-NSHDSACASA-N 0 0 247.329 3.508 20 0 BHADRN CCCCC[C@@H](C)CC(=O)N1CCC(F)CC1 ZINC000881608736 591255484 /nfs/dbraw/zinc/25/54/84/591255484.db2.gz GAGWPOCSPKRGFX-GFCCVEGCSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@H](C)CC(=O)N1CCC(F)CC1 ZINC000881608737 591255515 /nfs/dbraw/zinc/25/55/15/591255515.db2.gz GAGWPOCSPKRGFX-LBPRGKRZSA-N 0 0 243.366 3.553 20 0 BHADRN CC(C)CCCCCC(=O)N1CCC(F)CC1 ZINC000881609032 591255563 /nfs/dbraw/zinc/25/55/63/591255563.db2.gz KGSGHRDEWMFJJW-UHFFFAOYSA-N 0 0 243.366 3.553 20 0 BHADRN CCCC[C@@H](CC)CC(=O)N1CCC(F)CC1 ZINC000881609578 591255723 /nfs/dbraw/zinc/25/57/23/591255723.db2.gz YMBQPESBHCUZLT-GFCCVEGCSA-N 0 0 243.366 3.553 20 0 BHADRN CCCC[C@H](CC)CC(=O)N1CCC(F)CC1 ZINC000881609579 591256083 /nfs/dbraw/zinc/25/60/83/591256083.db2.gz YMBQPESBHCUZLT-LBPRGKRZSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC[C@@H](C)C(=O)N1CCC(F)CC1 ZINC000881609583 591256165 /nfs/dbraw/zinc/25/61/65/591256165.db2.gz YODUZUBJEICSKD-GFCCVEGCSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC[C@H](C)C(=O)N1CCC(F)CC1 ZINC000881609584 591256198 /nfs/dbraw/zinc/25/61/98/591256198.db2.gz YODUZUBJEICSKD-LBPRGKRZSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCCC(C)(C)C(=O)N1CCC(F)CC1 ZINC000881610481 591256036 /nfs/dbraw/zinc/25/60/36/591256036.db2.gz NDDNGFUAMXASMU-UHFFFAOYSA-N 0 0 243.366 3.553 20 0 BHADRN CC(C)(C)CCCCC(=O)N1CCC(F)CC1 ZINC000881612008 591257318 /nfs/dbraw/zinc/25/73/18/591257318.db2.gz XICYGTSUBIMBFH-UHFFFAOYSA-N 0 0 243.366 3.553 20 0 BHADRN CC[C@@H](C)CCCCC(=O)N1CCC(F)CC1 ZINC000881612452 591257479 /nfs/dbraw/zinc/25/74/79/591257479.db2.gz MPJDAZDKEIYRCQ-GFCCVEGCSA-N 0 0 243.366 3.553 20 0 BHADRN CC[C@H](C)CCCCC(=O)N1CCC(F)CC1 ZINC000881612453 591257522 /nfs/dbraw/zinc/25/75/22/591257522.db2.gz MPJDAZDKEIYRCQ-LBPRGKRZSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@@H](CC)C(=O)N1CCC(F)CC1 ZINC000881613122 591258300 /nfs/dbraw/zinc/25/83/00/591258300.db2.gz XNBOAMZYSOASTQ-GFCCVEGCSA-N 0 0 243.366 3.553 20 0 BHADRN CCCCC[C@H](CC)C(=O)N1CCC(F)CC1 ZINC000881613123 591258064 /nfs/dbraw/zinc/25/80/64/591258064.db2.gz XNBOAMZYSOASTQ-LBPRGKRZSA-N 0 0 243.366 3.553 20 0 BHADRN C[C@H](Nc1nnc(C(C)(C)C)o1)c1ccccc1 ZINC000881733028 591267523 /nfs/dbraw/zinc/26/75/23/591267523.db2.gz RYRRHXSMMGOXBA-JTQLQIEISA-N 0 0 245.326 3.540 20 0 BHADRN C[C@@H](Nc1nnc(C(C)(C)C)o1)c1ccccc1 ZINC000881733029 591267498 /nfs/dbraw/zinc/26/74/98/591267498.db2.gz RYRRHXSMMGOXBA-SNVBAGLBSA-N 0 0 245.326 3.540 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)/C=C\c1ccco1 ZINC000881777929 591270513 /nfs/dbraw/zinc/27/05/13/591270513.db2.gz UAIRLCYIBPKAMX-BSYHEUMXSA-N 0 0 249.354 3.768 20 0 BHADRN CCCCCC[C@H](C)NC(=O)/C=C/c1ccco1 ZINC000881777930 591270250 /nfs/dbraw/zinc/27/02/50/591270250.db2.gz UAIRLCYIBPKAMX-NHAQELONSA-N 0 0 249.354 3.768 20 0 BHADRN CCCCCC[C@@H](C)NC(=O)/C=C/c1ccco1 ZINC000881777931 591270215 /nfs/dbraw/zinc/27/02/15/591270215.db2.gz UAIRLCYIBPKAMX-OCHBPSSRSA-N 0 0 249.354 3.768 20 0 BHADRN CCCCCC[C@H](C)NC(=O)/C=C\c1ccco1 ZINC000881777932 591270535 /nfs/dbraw/zinc/27/05/35/591270535.db2.gz UAIRLCYIBPKAMX-OEYXZAGESA-N 0 0 249.354 3.768 20 0 BHADRN C/C=C/C=C\C(=O)N[C@H](C)CCCCCC ZINC000881779171 591269989 /nfs/dbraw/zinc/26/99/89/591269989.db2.gz FKNYNXRAVQTEJN-ACPCHWAASA-N 0 0 223.360 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@H](C)CCCCCC ZINC000881779172 591271344 /nfs/dbraw/zinc/27/13/44/591271344.db2.gz FKNYNXRAVQTEJN-MEAMHLNOSA-N 0 0 223.360 3.594 20 0 BHADRN C/C=C/C=C/C(=O)N[C@@H](C)CCCCCC ZINC000881779173 591271110 /nfs/dbraw/zinc/27/11/10/591271110.db2.gz FKNYNXRAVQTEJN-TVWLHEJISA-N 0 0 223.360 3.594 20 0 BHADRN C/C=C/C=C\C(=O)N[C@@H](C)CCCCCC ZINC000881779174 591271067 /nfs/dbraw/zinc/27/10/67/591271067.db2.gz FKNYNXRAVQTEJN-VBIMHEHWSA-N 0 0 223.360 3.594 20 0 BHADRN Cc1ccc([C@@H](C)Nc2ncnc(C)c2C)s1 ZINC000881837031 591274132 /nfs/dbraw/zinc/27/41/32/591274132.db2.gz MQYWIAMHCZTDBH-LLVKDONJSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1ccc([C@H](C)Nc2ncnc(C)c2C)s1 ZINC000881837032 591273713 /nfs/dbraw/zinc/27/37/13/591273713.db2.gz MQYWIAMHCZTDBH-NSHDSACASA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cncnc1S[C@H](C)c1cccs1 ZINC000882000746 591287072 /nfs/dbraw/zinc/28/70/72/591287072.db2.gz DOUKUNVYKDGLDR-SECBINFHSA-N 0 0 236.365 3.700 20 0 BHADRN Cc1cncnc1S[C@@H](C)c1cccs1 ZINC000882000749 591286832 /nfs/dbraw/zinc/28/68/32/591286832.db2.gz DOUKUNVYKDGLDR-VIFPVBQESA-N 0 0 236.365 3.700 20 0 BHADRN CC(C)CC(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC000882018679 591288311 /nfs/dbraw/zinc/28/83/11/591288311.db2.gz CFXONMZRGKNOSH-INIZCTEOSA-N 0 0 245.366 3.570 20 0 BHADRN CCCCC(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC000882019837 591288173 /nfs/dbraw/zinc/28/81/73/591288173.db2.gz PPPRYCKXCKEFBX-INIZCTEOSA-N 0 0 245.366 3.714 20 0 BHADRN CCCCC(=O)N1CCC[C@]1(C)c1ccccc1 ZINC000882019838 591288452 /nfs/dbraw/zinc/28/84/52/591288452.db2.gz PPPRYCKXCKEFBX-MRXNPFEDSA-N 0 0 245.366 3.714 20 0 BHADRN CC[C@H](C)C(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC000882021307 591287967 /nfs/dbraw/zinc/28/79/67/591287967.db2.gz UFUZRCAOVMYTBL-BBRMVZONSA-N 0 0 245.366 3.570 20 0 BHADRN CC[C@@H](C)C(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC000882021308 591288428 /nfs/dbraw/zinc/28/84/28/591288428.db2.gz UFUZRCAOVMYTBL-CJNGLKHVSA-N 0 0 245.366 3.570 20 0 BHADRN CC[C@@H](C)C(=O)N1CCC[C@]1(C)c1ccccc1 ZINC000882021309 591288310 /nfs/dbraw/zinc/28/83/10/591288310.db2.gz UFUZRCAOVMYTBL-CZUORRHYSA-N 0 0 245.366 3.570 20 0 BHADRN CC[C@H](C)C(=O)N1CCC[C@]1(C)c1ccccc1 ZINC000882021310 591288394 /nfs/dbraw/zinc/28/83/94/591288394.db2.gz UFUZRCAOVMYTBL-XJKSGUPXSA-N 0 0 245.366 3.570 20 0 BHADRN c1coc(CSC[C@H]2CCC3(CCC3)O2)c1 ZINC000882034041 591289401 /nfs/dbraw/zinc/28/94/01/591289401.db2.gz MCCDUUJFIZGYFC-GFCCVEGCSA-N 0 0 238.352 3.615 20 0 BHADRN c1coc(CSC[C@@H]2CCC3(CCC3)O2)c1 ZINC000882034051 591289712 /nfs/dbraw/zinc/28/97/12/591289712.db2.gz MCCDUUJFIZGYFC-LBPRGKRZSA-N 0 0 238.352 3.615 20 0 BHADRN C[C@@H](SCc1ccco1)c1ccc(F)nc1 ZINC000882034254 591289577 /nfs/dbraw/zinc/28/95/77/591289577.db2.gz PBPRYUIVTBTYGU-SECBINFHSA-N 0 0 237.299 3.808 20 0 BHADRN C[C@H](SCc1ccco1)c1ccc(F)nc1 ZINC000882034255 591289456 /nfs/dbraw/zinc/28/94/56/591289456.db2.gz PBPRYUIVTBTYGU-VIFPVBQESA-N 0 0 237.299 3.808 20 0 BHADRN C(SC1CCCC1)[C@H]1CCC2(CCC2)O1 ZINC000882037620 591290710 /nfs/dbraw/zinc/29/07/10/591290710.db2.gz ILQXOFDVEZBSFF-LLVKDONJSA-N 0 0 226.385 3.764 20 0 BHADRN C(SC1CCCC1)[C@@H]1CCC2(CCC2)O1 ZINC000882037621 591290681 /nfs/dbraw/zinc/29/06/81/591290681.db2.gz ILQXOFDVEZBSFF-NSHDSACASA-N 0 0 226.385 3.764 20 0 BHADRN CC1(C)CCC[C@H](CSc2ccccn2)O1 ZINC000882037672 636060989 /nfs/dbraw/zinc/06/09/89/636060989.db2.gz JSOSWWSDSVGQAD-LLVKDONJSA-N 0 0 237.368 3.521 20 0 BHADRN CC1(C)CCC[C@@H](CSc2ccccn2)O1 ZINC000882037673 636060634 /nfs/dbraw/zinc/06/06/34/636060634.db2.gz JSOSWWSDSVGQAD-NSHDSACASA-N 0 0 237.368 3.521 20 0 BHADRN CC(C)CS[C@H](C)c1ccc(F)nc1 ZINC000882037847 591291083 /nfs/dbraw/zinc/29/10/83/591291083.db2.gz ORSBVAOIQQFEJE-SECBINFHSA-N 0 0 213.321 3.671 20 0 BHADRN CC(C)CS[C@@H](C)c1ccc(F)nc1 ZINC000882037848 591290545 /nfs/dbraw/zinc/29/05/45/591290545.db2.gz ORSBVAOIQQFEJE-VIFPVBQESA-N 0 0 213.321 3.671 20 0 BHADRN C[C@@H](SC1CCCC1)c1ccc(F)nc1 ZINC000882038155 636060470 /nfs/dbraw/zinc/06/04/70/636060470.db2.gz VTNVAYBFMGFDBH-SECBINFHSA-N 0 0 225.332 3.958 20 0 BHADRN C[C@H](SC1CCCC1)c1ccc(F)nc1 ZINC000882038156 636060028 /nfs/dbraw/zinc/06/00/28/636060028.db2.gz VTNVAYBFMGFDBH-VIFPVBQESA-N 0 0 225.332 3.958 20 0 BHADRN C=C/C=C/CCSc1nc(C)c(C)o1 ZINC000882091984 591295983 /nfs/dbraw/zinc/29/59/83/591295983.db2.gz XTXUHTQUWCFVAZ-AATRIKPKSA-N 0 0 209.314 3.516 20 0 BHADRN C=C/C=C\CCSc1nc(C)c(C)o1 ZINC000882091985 591295872 /nfs/dbraw/zinc/29/58/72/591295872.db2.gz XTXUHTQUWCFVAZ-WAYWQWQTSA-N 0 0 209.314 3.516 20 0 BHADRN c1csc(SC[C@@H]2CCC3(CCC3)O2)c1 ZINC000882104864 591298827 /nfs/dbraw/zinc/29/88/27/591298827.db2.gz AFLHWJKMTHREIS-JTQLQIEISA-N 0 0 240.393 3.942 20 0 BHADRN c1csc(SC[C@H]2CCC3(CCC3)O2)c1 ZINC000882104865 591298509 /nfs/dbraw/zinc/29/85/09/591298509.db2.gz AFLHWJKMTHREIS-SNVBAGLBSA-N 0 0 240.393 3.942 20 0 BHADRN Cc1ccc(SC[C@H]2CCC3(CCC3)O2)nc1 ZINC000882104975 591298546 /nfs/dbraw/zinc/29/85/46/591298546.db2.gz OQDOGCAECFHUDJ-GFCCVEGCSA-N 0 0 249.379 3.584 20 0 BHADRN Cc1ccc(SC[C@@H]2CCC3(CCC3)O2)nc1 ZINC000882104976 591298617 /nfs/dbraw/zinc/29/86/17/591298617.db2.gz OQDOGCAECFHUDJ-LBPRGKRZSA-N 0 0 249.379 3.584 20 0 BHADRN CSC[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000882107173 591298492 /nfs/dbraw/zinc/29/84/92/591298492.db2.gz BLDXZEGEVCTIAC-CHWSQXEVSA-N 0 0 222.353 3.660 20 0 BHADRN CSC[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000882107174 591299316 /nfs/dbraw/zinc/29/93/16/591299316.db2.gz BLDXZEGEVCTIAC-OLZOCXBDSA-N 0 0 222.353 3.660 20 0 BHADRN CSC[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000882107175 591295400 /nfs/dbraw/zinc/29/54/00/591295400.db2.gz BLDXZEGEVCTIAC-QWHCGFSZSA-N 0 0 222.353 3.660 20 0 BHADRN CSC[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000882107176 591295441 /nfs/dbraw/zinc/29/54/41/591295441.db2.gz BLDXZEGEVCTIAC-STQMWFEESA-N 0 0 222.353 3.660 20 0 BHADRN C=C/C=C\CCSc1nnc(C(C)(C)C)o1 ZINC000882107438 591299263 /nfs/dbraw/zinc/29/92/63/591299263.db2.gz VINQAUWIPFPWOW-SREVYHEPSA-N 0 0 238.356 3.592 20 0 BHADRN C=C/C=C/CCSc1nnc(C(C)(C)C)o1 ZINC000882107439 591299300 /nfs/dbraw/zinc/29/93/00/591299300.db2.gz VINQAUWIPFPWOW-VOTSOKGWSA-N 0 0 238.356 3.592 20 0 BHADRN Cc1cc(NC(=O)C2CCCCC2)cc(O)c1C ZINC000882116130 591299649 /nfs/dbraw/zinc/29/96/49/591299649.db2.gz MIEDJIZHGIPSMY-UHFFFAOYSA-N 0 0 247.338 3.528 20 0 BHADRN Cc1cc(NC(=O)CC2CCCC2)cc(O)c1C ZINC000882116282 591300029 /nfs/dbraw/zinc/30/00/29/591300029.db2.gz OYADWJJINNCMEC-UHFFFAOYSA-N 0 0 247.338 3.528 20 0 BHADRN CCC1(C(=O)Nc2cc(C)c(C)c(O)c2)CCC1 ZINC000882120739 591301242 /nfs/dbraw/zinc/30/12/42/591301242.db2.gz BURXJHZKWUTHGD-UHFFFAOYSA-N 0 0 247.338 3.528 20 0 BHADRN Cc1cc(NC(=O)CCC2CCC2)cc(O)c1C ZINC000882120852 591301070 /nfs/dbraw/zinc/30/10/70/591301070.db2.gz GLFQPULDGKRMPS-UHFFFAOYSA-N 0 0 247.338 3.528 20 0 BHADRN CCCC1(C(=O)Nc2cc(C)c(C)c(O)c2)CC1 ZINC000882121273 636065083 /nfs/dbraw/zinc/06/50/83/636065083.db2.gz PFOJGYAGSIUPLJ-UHFFFAOYSA-N 0 0 247.338 3.528 20 0 BHADRN Cc1cc(NC(=O)CCCC2CC2)cc(O)c1C ZINC000882123933 591301894 /nfs/dbraw/zinc/30/18/94/591301894.db2.gz SAKSYEJRGLGSLE-UHFFFAOYSA-N 0 0 247.338 3.528 20 0 BHADRN Cc1nc(SCc2ccns2)sc1C ZINC000882129188 591302940 /nfs/dbraw/zinc/30/29/40/591302940.db2.gz JEXIWRQNDDPESK-UHFFFAOYSA-N 0 0 242.394 3.509 20 0 BHADRN CCOCCSCC[C@@H]1CCCC1(F)F ZINC000882133778 591304187 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QHSVLKHAYSRHQW-VHSXEESVSA-N 0 0 236.327 3.523 20 0 BHADRN CC(=O)[C@@H](C)SCC[C@@H]1CCCC1(F)F ZINC000882135024 591304262 /nfs/dbraw/zinc/30/42/62/591304262.db2.gz QHSVLKHAYSRHQW-ZJUUUORDSA-N 0 0 236.327 3.523 20 0 BHADRN CC1(C)CCC[C@H](CSc2ccncc2)O1 ZINC000882138535 591304670 /nfs/dbraw/zinc/30/46/70/591304670.db2.gz JNBKZMGAUXIOJN-LLVKDONJSA-N 0 0 237.368 3.521 20 0 BHADRN CC1(C)CCC[C@@H](CSc2ccncc2)O1 ZINC000882138536 583592388 /nfs/dbraw/zinc/59/23/88/583592388.db2.gz JNBKZMGAUXIOJN-NSHDSACASA-N 0 0 237.368 3.521 20 0 BHADRN C[C@@H](Nc1cc(C(C)(C)C)ccn1)c1ccc[nH]1 ZINC000882138617 591304515 /nfs/dbraw/zinc/30/45/15/591304515.db2.gz KRVUMFKLWHBLPK-LLVKDONJSA-N 0 0 243.354 3.880 20 0 BHADRN C[C@H](Nc1cc(C(C)(C)C)ccn1)c1ccc[nH]1 ZINC000882138618 591304835 /nfs/dbraw/zinc/30/48/35/591304835.db2.gz KRVUMFKLWHBLPK-NSHDSACASA-N 0 0 243.354 3.880 20 0 BHADRN FC1(F)CCC[C@H]1CCSc1ccncc1 ZINC000882139458 591304877 /nfs/dbraw/zinc/30/48/77/591304877.db2.gz WGJOXONIVSMIIT-JTQLQIEISA-N 0 0 243.322 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/nfs/dbraw/zinc/61/31/76/591613176.db2.gz RDRKQCXGHKBRQO-GFCCVEGCSA-N 0 0 248.370 3.516 20 0 BHADRN CCC(=O)N(C)c1ccc(N[C@@H](C)C(C)C)cc1 ZINC000883316261 591614213 /nfs/dbraw/zinc/61/42/13/591614213.db2.gz RDRKQCXGHKBRQO-LBPRGKRZSA-N 0 0 248.370 3.516 20 0 BHADRN CC(C)(C)c1ccc(NCc2cocn2)cc1F ZINC000883323001 591616016 /nfs/dbraw/zinc/61/60/16/591616016.db2.gz CTORJVZWNGNJDA-UHFFFAOYSA-N 0 0 248.301 3.723 20 0 BHADRN Cc1cc(N[C@H](C)c2ccsc2)cnc1C ZINC000883341300 591620316 /nfs/dbraw/zinc/62/03/16/591620316.db2.gz MRZFCXIREZOPIC-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1cc(N[C@@H](C)c2ccsc2)cnc1C ZINC000883341301 591615875 /nfs/dbraw/zinc/61/58/75/591615875.db2.gz MRZFCXIREZOPIC-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc([C@@H](C)Nc2cnc(C)c(C)c2)o1 ZINC000883341361 591620348 /nfs/dbraw/zinc/62/03/48/591620348.db2.gz OJECGKYPZGNOQS-GFCCVEGCSA-N 0 0 230.311 3.773 20 0 BHADRN Cc1ccc([C@H](C)Nc2cnc(C)c(C)c2)o1 ZINC000883341362 591620279 /nfs/dbraw/zinc/62/02/79/591620279.db2.gz 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BHADRN Cc1cc(N[C@H](C)c2cccc(O)c2)cnc1C ZINC000883342180 591621412 /nfs/dbraw/zinc/62/14/12/591621412.db2.gz NJOFOBWWPZPSNM-GFCCVEGCSA-N 0 0 242.322 3.577 20 0 BHADRN Cc1cc(N[C@@H](C)c2cccc(O)c2)cnc1C ZINC000883342181 591621904 /nfs/dbraw/zinc/62/19/04/591621904.db2.gz NJOFOBWWPZPSNM-LBPRGKRZSA-N 0 0 242.322 3.577 20 0 BHADRN Cc1ccncc1[C@@H](C)Nc1cnc(C)c(C)c1 ZINC000883342240 591621666 /nfs/dbraw/zinc/62/16/66/591621666.db2.gz PMJHPKMAPQOUIC-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ccncc1[C@H](C)Nc1cnc(C)c(C)c1 ZINC000883342241 591621376 /nfs/dbraw/zinc/62/13/76/591621376.db2.gz PMJHPKMAPQOUIC-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1ncc([C@H](C)Nc2cnc(C)c(C)c2)s1 ZINC000883342291 591621671 /nfs/dbraw/zinc/62/16/71/591621671.db2.gz RKLZTHCUCHJJOT-JTQLQIEISA-N 0 0 247.367 3.636 20 0 BHADRN Cc1ncc([C@@H](C)Nc2cnc(C)c(C)c2)s1 ZINC000883342292 591622203 /nfs/dbraw/zinc/62/22/03/591622203.db2.gz RKLZTHCUCHJJOT-SNVBAGLBSA-N 0 0 247.367 3.636 20 0 BHADRN CC[C@H](Nc1cnc(C)c(C)c1)c1ccncc1 ZINC000883342503 591622123 /nfs/dbraw/zinc/62/21/23/591622123.db2.gz ARONWQLZDYWSRQ-HNNXBMFYSA-N 0 0 241.338 3.657 20 0 BHADRN CC[C@@H](Nc1cnc(C)c(C)c1)c1ccncc1 ZINC000883342504 591622293 /nfs/dbraw/zinc/62/22/93/591622293.db2.gz ARONWQLZDYWSRQ-OAHLLOKOSA-N 0 0 241.338 3.657 20 0 BHADRN Cc1csc([C@@H](C)Nc2cnc(C)c(C)c2)n1 ZINC000883342672 591622041 /nfs/dbraw/zinc/62/20/41/591622041.db2.gz HSVBWSNCBSAMAJ-LLVKDONJSA-N 0 0 247.367 3.636 20 0 BHADRN Cc1csc([C@H](C)Nc2cnc(C)c(C)c2)n1 ZINC000883342673 591621911 /nfs/dbraw/zinc/62/19/11/591621911.db2.gz HSVBWSNCBSAMAJ-NSHDSACASA-N 0 0 247.367 3.636 20 0 BHADRN Cc1cncc([C@@H](C)Nc2cnc(C)c(C)c2)c1 ZINC000883342688 591621241 /nfs/dbraw/zinc/62/12/41/591621241.db2.gz IGYUTAPSZAHXPI-CYBMUJFWSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cncc([C@H](C)Nc2cnc(C)c(C)c2)c1 ZINC000883342689 591622159 /nfs/dbraw/zinc/62/21/59/591622159.db2.gz IGYUTAPSZAHXPI-ZDUSSCGKSA-N 0 0 241.338 3.575 20 0 BHADRN Cc1cc(N[C@@H](C)C(C)(C)C(F)F)cnc1C ZINC000883342869 591622990 /nfs/dbraw/zinc/62/29/90/591622990.db2.gz OWNRWAQZXRCAAD-JTQLQIEISA-N 0 0 242.313 3.790 20 0 BHADRN Cc1cc(N[C@H](C)C(C)(C)C(F)F)cnc1C ZINC000883342870 591623881 /nfs/dbraw/zinc/62/38/81/591623881.db2.gz OWNRWAQZXRCAAD-SNVBAGLBSA-N 0 0 242.313 3.790 20 0 BHADRN Cc1cc(NC2CCC(F)(F)CC2)cnc1C ZINC000883342871 591623819 /nfs/dbraw/zinc/62/38/19/591623819.db2.gz OXKULQDKYKBKIL-UHFFFAOYSA-N 0 0 240.297 3.688 20 0 BHADRN Cc1cc(N[C@H](C)CCC(F)(F)F)cnc1C ZINC000883343012 591623053 /nfs/dbraw/zinc/62/30/53/591623053.db2.gz WMFFFJPSPZIDPB-SECBINFHSA-N 0 0 246.276 3.841 20 0 BHADRN Cc1cc(N[C@@H](C)CCC(F)(F)F)cnc1C ZINC000883343013 591623406 /nfs/dbraw/zinc/62/34/06/591623406.db2.gz WMFFFJPSPZIDPB-VIFPVBQESA-N 0 0 246.276 3.841 20 0 BHADRN CCSCc1cccnc1NCc1ccoc1 ZINC000883378318 591637542 /nfs/dbraw/zinc/63/75/42/591637542.db2.gz HLWGHZBVIIFVKC-UHFFFAOYSA-N 0 0 248.351 3.540 20 0 BHADRN CCSCc1cccnc1NCc1ccco1 ZINC000883378565 591638141 /nfs/dbraw/zinc/63/81/41/591638141.db2.gz QUTIKLUYEBATGT-UHFFFAOYSA-N 0 0 248.351 3.540 20 0 BHADRN CCc1ccc(NCc2ccc(Cl)o2)nc1 ZINC000883385895 591640311 /nfs/dbraw/zinc/64/03/11/591640311.db2.gz VIZYDSHODJAOLS-UHFFFAOYSA-N 0 0 236.702 3.503 20 0 BHADRN CCOc1ccc(-c2cc(C3CC3)on2)cc1 ZINC000883977743 591787502 /nfs/dbraw/zinc/78/75/02/591787502.db2.gz VCQPGWJYHYIQCV-UHFFFAOYSA-N 0 0 229.279 3.618 20 0 BHADRN Cc1cccc(C(=O)OC2CCCCCCC2)n1 ZINC000884392843 591923357 /nfs/dbraw/zinc/92/33/57/591923357.db2.gz NWYMKHIROGTJRH-UHFFFAOYSA-N 0 0 247.338 3.660 20 0 BHADRN Cc1cnc(N[C@H](C)CCCC(F)(F)F)o1 ZINC000884485600 591954287 /nfs/dbraw/zinc/95/42/87/591954287.db2.gz BYWCILMQBOCALA-SSDOTTSWSA-N 0 0 236.237 3.516 20 0 BHADRN Cc1cnc(N[C@@H](C)CCCC(F)(F)F)o1 ZINC000884485601 591953989 /nfs/dbraw/zinc/95/39/89/591953989.db2.gz BYWCILMQBOCALA-ZETCQYMHSA-N 0 0 236.237 3.516 20 0 BHADRN Cc1cnc(N[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000884493276 591955966 /nfs/dbraw/zinc/95/59/66/591955966.db2.gz QCANTSSKXKIEFV-CYBMUJFWSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cnc(N[C@H]2CCCc3ccc(F)cc32)o1 ZINC000884493277 591956268 /nfs/dbraw/zinc/95/62/68/591956268.db2.gz QCANTSSKXKIEFV-ZDUSSCGKSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cnc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000884494925 591956153 /nfs/dbraw/zinc/95/61/53/591956153.db2.gz GRMMBOLIYHDUNV-NWDGAFQWSA-N 0 0 248.713 3.604 20 0 BHADRN Cc1cnc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC000884495008 591956024 /nfs/dbraw/zinc/95/60/24/591956024.db2.gz JXWCZSPISDMKJS-NWDGAFQWSA-N 0 0 248.713 3.604 20 0 BHADRN Cc1cnc(N[C@H]2C[C@H](c3ccccc3C)C2)o1 ZINC000884495948 591956572 /nfs/dbraw/zinc/95/65/72/591956572.db2.gz IHCWVZGUQMRXRQ-JOCQHMNTSA-N 0 0 242.322 3.650 20 0 BHADRN CSc1ccc([C@H](C)Nc2ncc(C)o2)cc1 ZINC000884496325 591957070 /nfs/dbraw/zinc/95/70/70/591957070.db2.gz SSDKADVGHMDILO-JTQLQIEISA-N 0 0 248.351 3.878 20 0 BHADRN CSc1ccccc1[C@H](C)Nc1ncc(C)o1 ZINC000884496736 591956565 /nfs/dbraw/zinc/95/65/65/591956565.db2.gz FKPBXOSTOFQZHM-JTQLQIEISA-N 0 0 248.351 3.878 20 0 BHADRN CSc1ccccc1[C@@H](C)Nc1ncc(C)o1 ZINC000884497697 591957739 /nfs/dbraw/zinc/95/77/39/591957739.db2.gz FKPBXOSTOFQZHM-SNVBAGLBSA-N 0 0 248.351 3.878 20 0 BHADRN Cc1cnc(N2C[C@H](C)C[C@@H]2c2ccccc2)o1 ZINC000884507795 591959798 /nfs/dbraw/zinc/95/97/98/591959798.db2.gz MOMAYTKMONBSOU-BXUZGUMPSA-N 0 0 242.322 3.571 20 0 BHADRN Cc1cnc(N2C[C@@H](C)C[C@H]2c2ccccc2)o1 ZINC000884507796 591960206 /nfs/dbraw/zinc/96/02/06/591960206.db2.gz MOMAYTKMONBSOU-FZMZJTMJSA-N 0 0 242.322 3.571 20 0 BHADRN Cc1cnc(N2C[C@H](C)C[C@H]2c2ccccc2)o1 ZINC000884507797 591959753 /nfs/dbraw/zinc/95/97/53/591959753.db2.gz MOMAYTKMONBSOU-RISCZKNCSA-N 0 0 242.322 3.571 20 0 BHADRN Cc1cnc(N2C[C@@H](C)C[C@@H]2c2ccccc2)o1 ZINC000884507798 591959733 /nfs/dbraw/zinc/95/97/33/591959733.db2.gz MOMAYTKMONBSOU-SMDDNHRTSA-N 0 0 242.322 3.571 20 0 BHADRN Cc1cnc(N[C@H]2CCCc3ccc(C)cc32)o1 ZINC000884510138 591961414 /nfs/dbraw/zinc/96/14/14/591961414.db2.gz ZNHHAZWQFSHTAM-AWEZNQCLSA-N 0 0 242.322 3.781 20 0 BHADRN Cc1cnc(NCc2ccc(C3CC3)cc2F)o1 ZINC000884513578 591961953 /nfs/dbraw/zinc/96/19/53/591961953.db2.gz MHQCVXCPWKNTGR-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cnc(NC[C@H]2CCCCC(F)(F)C2)o1 ZINC000884513641 591961721 /nfs/dbraw/zinc/96/17/21/591961721.db2.gz NVGCKTUPWPJWLI-JTQLQIEISA-N 0 0 244.285 3.611 20 0 BHADRN Cc1cnc(NC[C@@H]2CCCCC(F)(F)C2)o1 ZINC000884513642 591962400 /nfs/dbraw/zinc/96/24/00/591962400.db2.gz NVGCKTUPWPJWLI-SNVBAGLBSA-N 0 0 244.285 3.611 20 0 BHADRN CCSc1cccc(CNc2ncc(C)o2)c1 ZINC000884513736 591961896 /nfs/dbraw/zinc/96/18/96/591961896.db2.gz QHEJDZZKSXYFGV-UHFFFAOYSA-N 0 0 248.351 3.707 20 0 BHADRN Cc1cnc(N[C@@H]2CCCc3ccc(C)cc32)o1 ZINC000884515132 591962879 /nfs/dbraw/zinc/96/28/79/591962879.db2.gz ZNHHAZWQFSHTAM-CQSZACIVSA-N 0 0 242.322 3.781 20 0 BHADRN Cc1cnc(N[C@@H]2CCCc3c(F)cccc32)o1 ZINC000884517836 591964318 /nfs/dbraw/zinc/96/43/18/591964318.db2.gz XPFQKHNMUAEVNF-CYBMUJFWSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cnc(N[C@H]2CCCc3c(F)cccc32)o1 ZINC000884517837 591964203 /nfs/dbraw/zinc/96/42/03/591964203.db2.gz XPFQKHNMUAEVNF-ZDUSSCGKSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1cnc(N[C@H](C)c2ccc(F)c(C)c2)o1 ZINC000884518134 591963668 /nfs/dbraw/zinc/96/36/68/591963668.db2.gz GNIDAIYTOZHNOD-SNVBAGLBSA-N 0 0 234.274 3.604 20 0 BHADRN Cc1cnc(NCc2cc(C3CC3)ccc2F)o1 ZINC000884518346 591963691 /nfs/dbraw/zinc/96/36/91/591963691.db2.gz MTTLBNWABFWQSB-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN CC(C)=CCC[C@H](C)Nc1ncc(C)o1 ZINC000884518860 591964291 /nfs/dbraw/zinc/96/42/91/591964291.db2.gz CAHGUAUGKCZYTJ-JTQLQIEISA-N 0 0 208.305 3.530 20 0 BHADRN CC(C)=CCC[C@@H](C)Nc1ncc(C)o1 ZINC000884518861 591964035 /nfs/dbraw/zinc/96/40/35/591964035.db2.gz CAHGUAUGKCZYTJ-SNVBAGLBSA-N 0 0 208.305 3.530 20 0 BHADRN Cc1cnc(NCC(C)(C)C2=CCCC2)o1 ZINC000884526564 591966806 /nfs/dbraw/zinc/96/68/06/591966806.db2.gz XXJRIUOCQSSISW-UHFFFAOYSA-N 0 0 220.316 3.531 20 0 BHADRN CC[C@@H](Nc1ncc(C)o1)c1ccccc1 ZINC000884529436 591967625 /nfs/dbraw/zinc/96/76/25/591967625.db2.gz NTHIZKYVWNGWDW-GFCCVEGCSA-N 0 0 216.284 3.546 20 0 BHADRN CC[C@H](Nc1ncc(C)o1)c1ccccc1 ZINC000884529437 591968052 /nfs/dbraw/zinc/96/80/52/591968052.db2.gz NTHIZKYVWNGWDW-LBPRGKRZSA-N 0 0 216.284 3.546 20 0 BHADRN CC[C@H](Nc1ncc(C)o1)c1ccccc1F ZINC000884544948 591974709 /nfs/dbraw/zinc/97/47/09/591974709.db2.gz UUMXGWLATWFEMN-LBPRGKRZSA-N 0 0 234.274 3.685 20 0 BHADRN CC[C@@H](Nc1ncc(C)o1)c1ccccc1F ZINC000884547775 591975541 /nfs/dbraw/zinc/97/55/41/591975541.db2.gz UUMXGWLATWFEMN-GFCCVEGCSA-N 0 0 234.274 3.685 20 0 BHADRN Cc1cnc(N2CCCC3(CCCC3)CC2)o1 ZINC000884552536 591977096 /nfs/dbraw/zinc/97/70/96/591977096.db2.gz CFPOCCMHCWRFET-UHFFFAOYSA-N 0 0 234.343 3.534 20 0 BHADRN Cc1cnc(N[C@@H](c2ccccc2F)C(C)C)o1 ZINC000884555589 591977643 /nfs/dbraw/zinc/97/76/43/591977643.db2.gz VARPEWXMJCQVDP-CYBMUJFWSA-N 0 0 248.301 3.931 20 0 BHADRN Cc1cnc(N[C@H](c2ccccc2F)C(C)C)o1 ZINC000884555590 591977174 /nfs/dbraw/zinc/97/71/74/591977174.db2.gz VARPEWXMJCQVDP-ZDUSSCGKSA-N 0 0 248.301 3.931 20 0 BHADRN Cc1cnc(N[C@@H]2C[C@H]2c2ccccc2Cl)o1 ZINC000884558481 591978938 /nfs/dbraw/zinc/97/89/38/591978938.db2.gz UXWUJWZBCXAQIK-CMPLNLGQSA-N 0 0 248.713 3.604 20 0 BHADRN Cc1cnc(N[C@H]2CCCc3c(C)cccc32)o1 ZINC000884560063 591980273 /nfs/dbraw/zinc/98/02/73/591980273.db2.gz MELVXADVAXGURJ-AWEZNQCLSA-N 0 0 242.322 3.781 20 0 BHADRN Cc1cnc(N[C@@H]2CCCc3c(C)cccc32)o1 ZINC000884560064 591980422 /nfs/dbraw/zinc/98/04/22/591980422.db2.gz MELVXADVAXGURJ-CQSZACIVSA-N 0 0 242.322 3.781 20 0 BHADRN Cc1cnc(N[C@@H]2CCc3cc(Cl)ccc32)o1 ZINC000884565311 591982246 /nfs/dbraw/zinc/98/22/46/591982246.db2.gz GQSWMMSJGURQNX-GFCCVEGCSA-N 0 0 248.713 3.736 20 0 BHADRN Cc1cnc(N[C@H]2CCc3cc(Cl)ccc32)o1 ZINC000884565312 591982664 /nfs/dbraw/zinc/98/26/64/591982664.db2.gz GQSWMMSJGURQNX-LBPRGKRZSA-N 0 0 248.713 3.736 20 0 BHADRN Cc1cnc(N[C@@H]2CCc3ccc(Cl)cc32)o1 ZINC000884567432 591983261 /nfs/dbraw/zinc/98/32/61/591983261.db2.gz JTDQLPSDNOKXLD-GFCCVEGCSA-N 0 0 248.713 3.736 20 0 BHADRN Cc1cnc(N[C@H]2CCc3ccc(Cl)cc32)o1 ZINC000884567433 591983265 /nfs/dbraw/zinc/98/32/65/591983265.db2.gz JTDQLPSDNOKXLD-LBPRGKRZSA-N 0 0 248.713 3.736 20 0 BHADRN Cc1cnc(NCC2(C(F)(F)F)CCCC2)o1 ZINC000884567550 591983321 /nfs/dbraw/zinc/98/33/21/591983321.db2.gz LRZWGYWEBWYNDY-UHFFFAOYSA-N 0 0 248.248 3.518 20 0 BHADRN CCSc1ccc(CNc2ncc(C)o2)cc1 ZINC000884581049 591986870 /nfs/dbraw/zinc/98/68/70/591986870.db2.gz SVIJQETZXCOTET-UHFFFAOYSA-N 0 0 248.351 3.707 20 0 BHADRN C=C/C=C\CCOC(=O)c1coc(C(F)F)c1 ZINC000884596947 712647533 /nfs/dbraw/zinc/64/75/33/712647533.db2.gz PGERYNRYBKOQAJ-ARJAWSKDSA-N 0 0 242.221 3.506 20 0 BHADRN C=C/C=C/CCOC(=O)c1coc(C(F)F)c1 ZINC000884596948 712647504 /nfs/dbraw/zinc/64/75/04/712647504.db2.gz PGERYNRYBKOQAJ-ONEGZZNKSA-N 0 0 242.221 3.506 20 0 BHADRN C=C/C=C\CCOC(=O)c1ccc(C(F)F)o1 ZINC000884599972 591992406 /nfs/dbraw/zinc/99/24/06/591992406.db2.gz OKWDLFAOHSVITR-ARJAWSKDSA-N 0 0 242.221 3.506 20 0 BHADRN C=C/C=C/CCOC(=O)c1ccc(C(F)F)o1 ZINC000884599973 591992786 /nfs/dbraw/zinc/99/27/86/591992786.db2.gz OKWDLFAOHSVITR-ONEGZZNKSA-N 0 0 242.221 3.506 20 0 BHADRN Cc1cnc(N2CC[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000884642763 592001154 /nfs/dbraw/zinc/00/11/54/592001154.db2.gz QNCSXFLSZDLAHM-BXUZGUMPSA-N 0 0 242.322 3.571 20 0 BHADRN Cc1cnc(N2CC[C@H](C)[C@H]2c2ccccc2)o1 ZINC000884642764 592001385 /nfs/dbraw/zinc/00/13/85/592001385.db2.gz QNCSXFLSZDLAHM-FZMZJTMJSA-N 0 0 242.322 3.571 20 0 BHADRN Cc1cnc(N2CC[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000884642765 592000928 /nfs/dbraw/zinc/00/09/28/592000928.db2.gz QNCSXFLSZDLAHM-RISCZKNCSA-N 0 0 242.322 3.571 20 0 BHADRN Cc1cnc(N2CC[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000884642766 592001042 /nfs/dbraw/zinc/00/10/42/592001042.db2.gz QNCSXFLSZDLAHM-SMDDNHRTSA-N 0 0 242.322 3.571 20 0 BHADRN CC[C@@H](C)OC(=O)CC(C)(C)CC(F)(F)F ZINC000884666594 592008688 /nfs/dbraw/zinc/00/86/88/592008688.db2.gz IMLFUQXSSVMZEB-MRVPVSSYSA-N 0 0 240.265 3.697 20 0 BHADRN CC[C@H](C)OC(=O)CC(C)(C)CC(F)(F)F ZINC000884666595 592008683 /nfs/dbraw/zinc/00/86/83/592008683.db2.gz IMLFUQXSSVMZEB-QMMMGPOBSA-N 0 0 240.265 3.697 20 0 BHADRN C=C/C=C/CCOC(=O)CC(C)(C)CC(F)F ZINC000884680824 592009886 /nfs/dbraw/zinc/00/98/86/592009886.db2.gz BXDQLJLVKXZQOM-AATRIKPKSA-N 0 0 246.297 3.733 20 0 BHADRN C=C/C=C\CCOC(=O)CC(C)(C)CC(F)F ZINC000884680825 592009862 /nfs/dbraw/zinc/00/98/62/592009862.db2.gz BXDQLJLVKXZQOM-WAYWQWQTSA-N 0 0 246.297 3.733 20 0 BHADRN CC(C)(CC(=O)OCC1CC=CC1)CC(F)F ZINC000884681603 592011035 /nfs/dbraw/zinc/01/10/35/592011035.db2.gz ACFHNCOUZKIKLU-UHFFFAOYSA-N 0 0 246.297 3.567 20 0 BHADRN CC(C)[C@@H](C)OC(=O)CC(C)(C)CC(F)F ZINC000884681858 592011168 /nfs/dbraw/zinc/01/11/68/592011168.db2.gz ILJSXPPINJPBPD-SECBINFHSA-N 0 0 236.302 3.646 20 0 BHADRN CC(C)[C@H](C)OC(=O)CC(C)(C)CC(F)F ZINC000884681859 592011150 /nfs/dbraw/zinc/01/11/50/592011150.db2.gz ILJSXPPINJPBPD-VIFPVBQESA-N 0 0 236.302 3.646 20 0 BHADRN CC(C)=CCOC(=O)CC(C)(C)CC(F)F ZINC000884682406 592010850 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LVCCSFPVSJXBQL-AWEZNQCLSA-N 0 0 245.366 3.581 20 0 BHADRN CCCC(=O)N1C[C@H](c2ccccc2)CC1(C)C ZINC000885238989 592060124 /nfs/dbraw/zinc/06/01/24/592060124.db2.gz LVCCSFPVSJXBQL-CQSZACIVSA-N 0 0 245.366 3.581 20 0 BHADRN CC(C)CC(=O)Nc1ccc(C(F)F)cc1 ZINC000885576119 592085011 /nfs/dbraw/zinc/08/50/11/592085011.db2.gz ABPHHSSDNUCVNM-UHFFFAOYSA-N 0 0 227.254 3.609 20 0 BHADRN O=C(Nc1ccc(C(F)F)cc1)C1CCCC1 ZINC000885576276 592084961 /nfs/dbraw/zinc/08/49/61/592084961.db2.gz CSJKUVPBLBKRTG-UHFFFAOYSA-N 0 0 239.265 3.753 20 0 BHADRN CC(C)CCC(=O)Nc1ccc(C(F)F)cc1 ZINC000885576361 592085012 /nfs/dbraw/zinc/08/50/12/592085012.db2.gz FYCDJPXGVBAYGL-UHFFFAOYSA-N 0 0 241.281 3.999 20 0 BHADRN CCC/C=C\C(=O)Nc1ccc(C(F)F)cc1 ZINC000885576743 592085081 /nfs/dbraw/zinc/08/50/81/592085081.db2.gz NIUFTJXAARJRRK-PLNGDYQASA-N 0 0 239.265 3.919 20 0 BHADRN CCC/C=C/C(=O)Nc1ccc(C(F)F)cc1 ZINC000885576744 592084831 /nfs/dbraw/zinc/08/48/31/592084831.db2.gz NIUFTJXAARJRRK-SNAWJCMRSA-N 0 0 239.265 3.919 20 0 BHADRN CCCCC(=O)Nc1ccc(C(F)F)cc1 ZINC000885577446 592085137 /nfs/dbraw/zinc/08/51/37/592085137.db2.gz WNVRITRETCWKNC-UHFFFAOYSA-N 0 0 227.254 3.753 20 0 BHADRN CC(C)(C)CC(=O)Nc1ccc(C(F)F)cc1 ZINC000885577553 592085123 /nfs/dbraw/zinc/08/51/23/592085123.db2.gz YYFVGTMIVNTOPP-UHFFFAOYSA-N 0 0 241.281 3.999 20 0 BHADRN CCC[C@@H](C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885577624 592084948 /nfs/dbraw/zinc/08/49/48/592084948.db2.gz IIUJMKCITKGJCB-SECBINFHSA-N 0 0 241.281 3.999 20 0 BHADRN CCC[C@H](C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885577626 592084853 /nfs/dbraw/zinc/08/48/53/592084853.db2.gz IIUJMKCITKGJCB-VIFPVBQESA-N 0 0 241.281 3.999 20 0 BHADRN CC/C=C(\C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885578134 592085080 /nfs/dbraw/zinc/08/50/80/592085080.db2.gz MYEWTZCTZJTVRP-RUDMXATFSA-N 0 0 239.265 3.919 20 0 BHADRN CC/C=C(/C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885578135 592084999 /nfs/dbraw/zinc/08/49/99/592084999.db2.gz MYEWTZCTZJTVRP-WTKPLQERSA-N 0 0 239.265 3.919 20 0 BHADRN CC[C@@H](C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885578258 588562200 /nfs/dbraw/zinc/56/22/00/588562200.db2.gz RDXRUTFDWJIXEI-MRVPVSSYSA-N 0 0 227.254 3.609 20 0 BHADRN CC[C@H](C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885578259 588562268 /nfs/dbraw/zinc/56/22/68/588562268.db2.gz RDXRUTFDWJIXEI-QMMMGPOBSA-N 0 0 227.254 3.609 20 0 BHADRN CCC(CC)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885578420 588562347 /nfs/dbraw/zinc/56/23/47/588562347.db2.gz VVDNYTFMBSFXCK-UHFFFAOYSA-N 0 0 241.281 3.999 20 0 BHADRN CC(C)[C@@H](C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885578445 592084910 /nfs/dbraw/zinc/08/49/10/592084910.db2.gz XCGPNHHQJWIENP-SECBINFHSA-N 0 0 241.281 3.855 20 0 BHADRN CC(C)[C@H](C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885578446 592084930 /nfs/dbraw/zinc/08/49/30/592084930.db2.gz XCGPNHHQJWIENP-VIFPVBQESA-N 0 0 241.281 3.855 20 0 BHADRN CCC(C)(C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885578512 592084954 /nfs/dbraw/zinc/08/49/54/592084954.db2.gz ZLGUSBQIHORRDV-UHFFFAOYSA-N 0 0 241.281 3.999 20 0 BHADRN CC1(C(=O)Nc2ccc(C(F)F)cc2)CCC1 ZINC000885580538 588563449 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GRBIJUITJGXGKI-UHFFFAOYSA-N 0 0 237.249 3.529 20 0 BHADRN O=C(Nc1ccc(C(F)F)cc1)C1=CCCC1 ZINC000885581065 592085706 /nfs/dbraw/zinc/08/57/06/592085706.db2.gz JRWVFSXJEOENRT-UHFFFAOYSA-N 0 0 237.249 3.673 20 0 BHADRN O=C(C=C1CCC1)Nc1ccc(C(F)F)cc1 ZINC000885581318 592085682 /nfs/dbraw/zinc/08/56/82/592085682.db2.gz NKSJNUPGGVKMGF-UHFFFAOYSA-N 0 0 237.249 3.673 20 0 BHADRN CC(C)=C(C)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885581344 592085956 /nfs/dbraw/zinc/08/59/56/592085956.db2.gz NRPWCDOUTLJJNS-UHFFFAOYSA-N 0 0 239.265 3.919 20 0 BHADRN O=C(CCC(F)F)Nc1ccc(C(F)F)cc1 ZINC000885581429 592086272 /nfs/dbraw/zinc/08/62/72/592086272.db2.gz AEOXRYKTCRCKIM-UHFFFAOYSA-N 0 0 249.207 3.608 20 0 BHADRN CC(F)(F)CC(=O)Nc1ccc(C(F)F)cc1 ZINC000885581452 592086218 /nfs/dbraw/zinc/08/62/18/592086218.db2.gz BATWRFDXRSYMEB-UHFFFAOYSA-N 0 0 249.207 3.608 20 0 BHADRN O=C(CCC1CC1)Nc1ccc(C(F)F)cc1 ZINC000885581829 588565282 /nfs/dbraw/zinc/56/52/82/588565282.db2.gz UDZFVQNQLDWOCN-UHFFFAOYSA-N 0 0 239.265 3.753 20 0 BHADRN 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ZINC000885582688 588568804 /nfs/dbraw/zinc/56/88/04/588568804.db2.gz MFSHTBCVQVOWDF-OQFOIZHKSA-N 0 0 239.265 3.919 20 0 BHADRN C/C=C(\CC)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885582689 588568738 /nfs/dbraw/zinc/56/87/38/588568738.db2.gz MFSHTBCVQVOWDF-YCRREMRBSA-N 0 0 239.265 3.919 20 0 BHADRN CC(C)[C@H](F)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885583259 592086072 /nfs/dbraw/zinc/08/60/72/592086072.db2.gz WJSIAUSKDLGHPZ-JTQLQIEISA-N 0 0 245.244 3.557 20 0 BHADRN CC(C)[C@@H](F)C(=O)Nc1ccc(C(F)F)cc1 ZINC000885583260 592086257 /nfs/dbraw/zinc/08/62/57/592086257.db2.gz WJSIAUSKDLGHPZ-SNVBAGLBSA-N 0 0 245.244 3.557 20 0 BHADRN CC/C(C)=C/C(=O)Nc1ccc(C(F)F)cc1 ZINC000885583307 592086032 /nfs/dbraw/zinc/08/60/32/592086032.db2.gz XUQONSBJNWVQRM-CMDGGOBGSA-N 0 0 239.265 3.919 20 0 BHADRN CC/C(C)=C\C(=O)Nc1ccc(C(F)F)cc1 ZINC000885583308 592086160 /nfs/dbraw/zinc/08/61/60/592086160.db2.gz XUQONSBJNWVQRM-HJWRWDBZSA-N 0 0 239.265 3.919 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)Nc1ccc(C(F)F)cc1 ZINC000885583333 592086095 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ODNWKUYDUBEXLW-UHFFFAOYSA-N 0 0 246.278 3.785 20 0 BHADRN C/C=C\C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000885617772 592087826 /nfs/dbraw/zinc/08/78/26/592087826.db2.gz BDVMSILJGCOVLN-ALCCZGGFSA-N 0 0 247.338 3.516 20 0 BHADRN C/C=C/C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000885617773 592088023 /nfs/dbraw/zinc/08/80/23/592088023.db2.gz BDVMSILJGCOVLN-FNORWQNLSA-N 0 0 247.338 3.516 20 0 BHADRN CCCC(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000885626386 592087954 /nfs/dbraw/zinc/08/79/54/592087954.db2.gz XFTKFXKACFURTL-UHFFFAOYSA-N 0 0 249.354 3.740 20 0 BHADRN CC(C)(C)OC(=O)Oc1ccc2cnccc2c1 ZINC000885655701 592090501 /nfs/dbraw/zinc/09/05/01/592090501.db2.gz OGAUNHBXVWLFAL-UHFFFAOYSA-N 0 0 245.278 3.549 20 0 BHADRN CCC(=O)N[C@@H](CC)c1cccc2ccccc21 ZINC000885755319 592098439 /nfs/dbraw/zinc/09/84/39/592098439.db2.gz HPCAECUGXKKNNK-HNNXBMFYSA-N 0 0 241.334 3.817 20 0 BHADRN CCC(=O)N[C@H](CC)c1cccc2ccccc21 ZINC000885755320 592098735 /nfs/dbraw/zinc/09/87/35/592098735.db2.gz HPCAECUGXKKNNK-OAHLLOKOSA-N 0 0 241.334 3.817 20 0 BHADRN Cc1coc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000885927341 592108558 /nfs/dbraw/zinc/10/85/58/592108558.db2.gz QCYWPMOIZURYQO-BXUZGUMPSA-N 0 0 245.322 3.594 20 0 BHADRN Cc1coc(CNCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000885927342 592108420 /nfs/dbraw/zinc/10/84/20/592108420.db2.gz QCYWPMOIZURYQO-FZMZJTMJSA-N 0 0 245.322 3.594 20 0 BHADRN Cc1coc(CNCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000885927343 592109100 /nfs/dbraw/zinc/10/91/00/592109100.db2.gz QCYWPMOIZURYQO-RISCZKNCSA-N 0 0 245.322 3.594 20 0 BHADRN Cc1coc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000885927344 592108563 /nfs/dbraw/zinc/10/85/63/592108563.db2.gz QCYWPMOIZURYQO-SMDDNHRTSA-N 0 0 245.322 3.594 20 0 BHADRN Cc1n[nH]c(CNc2cc(Cl)ccc2C)c1C ZINC000885928652 592108667 /nfs/dbraw/zinc/10/86/67/592108667.db2.gz CWKARJADVGKKDN-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN CCCc1ccccc1NCc1[nH]nc(C)c1C ZINC000885929091 592108730 /nfs/dbraw/zinc/10/87/30/592108730.db2.gz JYNZQRBXZSXQBC-UHFFFAOYSA-N 0 0 243.354 3.591 20 0 BHADRN Cc1n[nH]c(CNc2ccc(C)c(Cl)c2)c1C ZINC000885929765 592108827 /nfs/dbraw/zinc/10/88/27/592108827.db2.gz UKHRXTULVGEGPF-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN CCCc1ccc(NCc2[nH]nc(C)c2C)cc1 ZINC000885931258 592109758 /nfs/dbraw/zinc/10/97/58/592109758.db2.gz QXWDRPVHYOVDCV-UHFFFAOYSA-N 0 0 243.354 3.591 20 0 BHADRN Cc1n[nH]c(CNc2ccc(C(C)C)cc2)c1C ZINC000885931612 585030694 /nfs/dbraw/zinc/03/06/94/585030694.db2.gz WRAAVNGXPVHDPA-UHFFFAOYSA-N 0 0 243.354 3.762 20 0 BHADRN Cc1n[nH]c(CNc2cccc(C(C)C)c2)c1C ZINC000885931815 592109816 /nfs/dbraw/zinc/10/98/16/592109816.db2.gz ZQRUHYOJQGLEOW-UHFFFAOYSA-N 0 0 243.354 3.762 20 0 BHADRN CSc1ccc(C[NH2+]Cc2cc(C)co2)cc1 ZINC000885940139 592110689 /nfs/dbraw/zinc/11/06/89/592110689.db2.gz BSSHHZGHHQRGKG-UHFFFAOYSA-N 0 0 247.363 3.600 20 0 BHADRN CCC[C@H](NCc1cc(C)co1)c1ccccn1 ZINC000885969325 592118764 /nfs/dbraw/zinc/11/87/64/592118764.db2.gz OMMBQTBLHUIILO-AWEZNQCLSA-N 0 0 244.338 3.614 20 0 BHADRN CCC[C@@H](NCc1cc(C)co1)c1ccccn1 ZINC000885969326 592118652 /nfs/dbraw/zinc/11/86/52/592118652.db2.gz OMMBQTBLHUIILO-CQSZACIVSA-N 0 0 244.338 3.614 20 0 BHADRN Cc1coc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000885971411 592119227 /nfs/dbraw/zinc/11/92/27/592119227.db2.gz ZHEDGEPDRNXGHO-UHFFFAOYSA-N 0 0 245.297 3.506 20 0 BHADRN Cc1coc(CNC2(c3ccccc3F)CC2)c1 ZINC000885992547 592123978 /nfs/dbraw/zinc/12/39/78/592123978.db2.gz KGDITPCHYUXHLZ-UHFFFAOYSA-N 0 0 245.297 3.506 20 0 BHADRN Cc1coc(CN[C@@H]2CSc3ccccc32)c1 ZINC000885993096 592124246 /nfs/dbraw/zinc/12/42/46/592124246.db2.gz ZBHCKQJBIHPHTJ-CYBMUJFWSA-N 0 0 245.347 3.525 20 0 BHADRN Cc1coc(CN[C@H]2CSc3ccccc32)c1 ZINC000885993097 592124351 /nfs/dbraw/zinc/12/43/51/592124351.db2.gz ZBHCKQJBIHPHTJ-ZDUSSCGKSA-N 0 0 245.347 3.525 20 0 BHADRN Cc1coc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000885994428 592124151 /nfs/dbraw/zinc/12/41/51/592124151.db2.gz KVKCFNSCXIUUKS-UHFFFAOYSA-N 0 0 245.297 3.506 20 0 BHADRN Cc1n[nH]c(CNc2cccc(Cl)c2C)c1C ZINC000886026131 592135957 /nfs/dbraw/zinc/13/59/57/592135957.db2.gz QBNMGPFDSQXJNZ-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN Cc1n[nH]c(CNc2ccccc2C(C)C)c1C ZINC000886026585 592135667 /nfs/dbraw/zinc/13/56/67/592135667.db2.gz YZEBPKQPMPDZFO-UHFFFAOYSA-N 0 0 243.354 3.762 20 0 BHADRN Cc1coc(CNc2ccc(N(C)C)c(C)c2)c1 ZINC000886030053 592136108 /nfs/dbraw/zinc/13/61/08/592136108.db2.gz FSXLIHGVKFSOGZ-UHFFFAOYSA-N 0 0 244.338 3.575 20 0 BHADRN CO[C@H](C)c1cccc(NCc2cc(C)co2)c1 ZINC000886035158 592138163 /nfs/dbraw/zinc/13/81/63/592138163.db2.gz KPYSWPWVCXDHOR-GFCCVEGCSA-N 0 0 245.322 3.908 20 0 BHADRN CO[C@@H](C)c1cccc(NCc2cc(C)co2)c1 ZINC000886035159 592137950 /nfs/dbraw/zinc/13/79/50/592137950.db2.gz KPYSWPWVCXDHOR-LBPRGKRZSA-N 0 0 245.322 3.908 20 0 BHADRN CCOCc1cccc(NCc2cc(C)co2)c1 ZINC000886036153 592137711 /nfs/dbraw/zinc/13/77/11/592137711.db2.gz UVNJVGJIUXOJRW-UHFFFAOYSA-N 0 0 245.322 3.737 20 0 BHADRN Cc1coc(CNc2cccc(OCCF)c2)c1 ZINC000886039060 592139119 /nfs/dbraw/zinc/13/91/19/592139119.db2.gz HDARHDZQDPQEBG-UHFFFAOYSA-N 0 0 249.285 3.548 20 0 BHADRN Cc1n[nH]c(CNc2ccc(Cl)cc2C)c1C ZINC000886051733 592139793 /nfs/dbraw/zinc/13/97/93/592139793.db2.gz CBULPXPXARIVJF-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN Cc1n[nH]c(CNc2ccc(C)cc2Cl)c1C ZINC000886052151 592140357 /nfs/dbraw/zinc/14/03/57/592140357.db2.gz MBIUFWZEXSEHRH-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN Cc1n[nH]c(CNc2cc(C)ccc2Cl)c1C ZINC000886052862 592140797 /nfs/dbraw/zinc/14/07/97/592140797.db2.gz ZRKSWFCBBVFTOB-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN Cc1n[nH]c(CNc2cccc(C)c2Cl)c1C ZINC000886055024 592141048 /nfs/dbraw/zinc/14/10/48/592141048.db2.gz QKKGJWTVCAHMIG-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN Cc1n[nH]c(CNc2ccc(C3CC3)cc2)c1C ZINC000886055134 592140806 /nfs/dbraw/zinc/14/08/06/592140806.db2.gz SLDHRVIWCLYLMX-UHFFFAOYSA-N 0 0 241.338 3.516 20 0 BHADRN CCc1ccc(NCc2[nH]nc(C)c2C)cc1C ZINC000886055210 592141055 /nfs/dbraw/zinc/14/10/55/592141055.db2.gz VLQVBOVMHQFTLC-UHFFFAOYSA-N 0 0 243.354 3.509 20 0 BHADRN CC[C@@H](C)n1nc(NCc2cc(C)co2)cc1C ZINC000886056995 592140953 /nfs/dbraw/zinc/14/09/53/592140953.db2.gz BOAHHMHVJRWQIY-LLVKDONJSA-N 0 0 247.342 3.676 20 0 BHADRN CC[C@H](C)n1nc(NCc2cc(C)co2)cc1C ZINC000886056996 592140860 /nfs/dbraw/zinc/14/08/60/592140860.db2.gz BOAHHMHVJRWQIY-NSHDSACASA-N 0 0 247.342 3.676 20 0 BHADRN CCc1cc(NCc2[nH]nc(C)c2C)ccc1C ZINC000886057211 592141396 /nfs/dbraw/zinc/14/13/96/592141396.db2.gz IRDCWXZPUOTFFN-UHFFFAOYSA-N 0 0 243.354 3.509 20 0 BHADRN Cc1n[nH]c(CNc2c(C)cc(C)cc2C)c1C ZINC000886057355 592140887 /nfs/dbraw/zinc/14/08/87/592140887.db2.gz MIANDYJVRZKVAJ-UHFFFAOYSA-N 0 0 243.354 3.564 20 0 BHADRN CCCCn1ncc(NCc2cc(C)co2)c1C ZINC000886057370 592140866 /nfs/dbraw/zinc/14/08/66/592140866.db2.gz MUBRQXNVQNFWLT-UHFFFAOYSA-N 0 0 247.342 3.505 20 0 BHADRN CC[C@@H](C)n1ncc(NCc2cc(C)co2)c1C ZINC000886090377 592146955 /nfs/dbraw/zinc/14/69/55/592146955.db2.gz WJBPKWWFKVESCD-LLVKDONJSA-N 0 0 247.342 3.676 20 0 BHADRN CC[C@H](C)n1ncc(NCc2cc(C)co2)c1C ZINC000886090378 592146037 /nfs/dbraw/zinc/14/60/37/592146037.db2.gz WJBPKWWFKVESCD-NSHDSACASA-N 0 0 247.342 3.676 20 0 BHADRN CCCCCCC(=O)NCc1ccc(Cl)o1 ZINC000886095914 592147151 /nfs/dbraw/zinc/14/71/51/592147151.db2.gz OTNAZZBMNZFSIL-UHFFFAOYSA-N 0 0 243.734 3.520 20 0 BHADRN Cc1coc(CNC(C)(C)c2ccccc2F)c1 ZINC000886125234 585106768 /nfs/dbraw/zinc/10/67/68/585106768.db2.gz MAIDXLGPUFKWID-UHFFFAOYSA-N 0 0 247.313 3.752 20 0 BHADRN Cc1coc(C[NH2+]C(C)(C)c2ccccc2C)c1 ZINC000886128035 592159309 /nfs/dbraw/zinc/15/93/09/592159309.db2.gz ZYHYACTUDRKYOY-UHFFFAOYSA-N 0 0 243.350 3.921 20 0 BHADRN Cc1coc(CNc2ccccc2OCCF)c1 ZINC000886129715 592159951 /nfs/dbraw/zinc/15/99/51/592159951.db2.gz MAOYUMRJOSWVPR-UHFFFAOYSA-N 0 0 249.285 3.548 20 0 BHADRN CC[C@H](NCc1cc(C)co1)c1ccccc1F ZINC000886153886 592164424 /nfs/dbraw/zinc/16/44/24/592164424.db2.gz UAJQALUAKXWOER-HNNXBMFYSA-N 0 0 247.313 3.968 20 0 BHADRN CC[C@@H](NCc1cc(C)co1)c1ccccc1F ZINC000886153887 592164252 /nfs/dbraw/zinc/16/42/52/592164252.db2.gz UAJQALUAKXWOER-OAHLLOKOSA-N 0 0 247.313 3.968 20 0 BHADRN Cc1n[nH]c(CNc2ccc(Cl)c(C)c2)c1C ZINC000886155481 592164520 /nfs/dbraw/zinc/16/45/20/592164520.db2.gz GPYAKCGYISIDJA-UHFFFAOYSA-N 0 0 249.745 3.600 20 0 BHADRN COc1cccc(NCc2cc(C)co2)c1C ZINC000886169790 592167542 /nfs/dbraw/zinc/16/75/42/592167542.db2.gz INIWYSJJBABPFZ-UHFFFAOYSA-N 0 0 231.295 3.517 20 0 BHADRN Cc1coc(CNCc2ccc(C(C)(C)C)o2)c1 ZINC000886179485 592170853 /nfs/dbraw/zinc/17/08/53/592170853.db2.gz WQIHBJKPHSZXOS-UHFFFAOYSA-N 0 0 247.338 3.768 20 0 BHADRN Cc1coc(CNc2cncc(C(F)F)c2)c1 ZINC000886181736 592172022 /nfs/dbraw/zinc/17/20/22/592172022.db2.gz SEGXTUIUVHYHTL-UHFFFAOYSA-N 0 0 238.237 3.533 20 0 BHADRN Cc1[nH]nc(NCc2ccccc2C2CC2)c1C ZINC000886196492 592174160 /nfs/dbraw/zinc/17/41/60/592174160.db2.gz UQCRNBIEUNQBTR-UHFFFAOYSA-N 0 0 241.338 3.516 20 0 BHADRN Cc1coc(CNCc2cscc2Cl)c1 ZINC000886198051 592174404 /nfs/dbraw/zinc/17/44/04/592174404.db2.gz VOHHMSBPWQDGNY-UHFFFAOYSA-N 0 0 241.743 3.593 20 0 BHADRN CC(C)c1cccc(CN[C@H](C)c2ncco2)c1 ZINC000886272108 592193034 /nfs/dbraw/zinc/19/30/34/592193034.db2.gz HESJYGOOKPNAAV-GFCCVEGCSA-N 0 0 244.338 3.649 20 0 BHADRN CC(C)c1cccc(CN[C@@H](C)c2ncco2)c1 ZINC000886272109 592192965 /nfs/dbraw/zinc/19/29/65/592192965.db2.gz HESJYGOOKPNAAV-LBPRGKRZSA-N 0 0 244.338 3.649 20 0 BHADRN CC(C)c1ccc(CN[C@H](C)c2ncco2)cc1 ZINC000886275566 592195559 /nfs/dbraw/zinc/19/55/59/592195559.db2.gz DXGGGJUKKSMZIN-GFCCVEGCSA-N 0 0 244.338 3.649 20 0 BHADRN CC(C)c1ccc(CN[C@@H](C)c2ncco2)cc1 ZINC000886275567 592195395 /nfs/dbraw/zinc/19/53/95/592195395.db2.gz DXGGGJUKKSMZIN-LBPRGKRZSA-N 0 0 244.338 3.649 20 0 BHADRN CCCCCCC(=O)N(C)C1CCC(C)CC1 ZINC000886291531 592201984 /nfs/dbraw/zinc/20/19/84/592201984.db2.gz KMMQWVPQIXMDBT-UHFFFAOYSA-N 0 0 239.403 3.994 20 0 BHADRN Cc1ccc(N(Cc2ccno2)C2CCC2)cc1 ZINC000886420925 592224440 /nfs/dbraw/zinc/22/44/40/592224440.db2.gz FVZCFIATUZKNBS-UHFFFAOYSA-N 0 0 242.322 3.542 20 0 BHADRN Cc1ccc(N(Cc2ccon2)C2CCC2)cc1 ZINC000886420963 592224338 /nfs/dbraw/zinc/22/43/38/592224338.db2.gz HESXQQPVGWTSEG-UHFFFAOYSA-N 0 0 242.322 3.542 20 0 BHADRN Cc1cccc(N[C@H](c2cnn(C)c2)C(C)C)c1 ZINC000886564067 592261623 /nfs/dbraw/zinc/26/16/23/592261623.db2.gz MOXFVGKQUHQYGO-HNNXBMFYSA-N 0 0 243.354 3.538 20 0 BHADRN Cc1cccc(N[C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000886564068 592261761 /nfs/dbraw/zinc/26/17/61/592261761.db2.gz MOXFVGKQUHQYGO-OAHLLOKOSA-N 0 0 243.354 3.538 20 0 BHADRN Cc1ccc(N[C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886564154 592261767 /nfs/dbraw/zinc/26/17/67/592261767.db2.gz OJUYNPNITLRICB-HNNXBMFYSA-N 0 0 243.354 3.538 20 0 BHADRN Cc1ccc(N[C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886564155 592260675 /nfs/dbraw/zinc/26/06/75/592260675.db2.gz OJUYNPNITLRICB-OAHLLOKOSA-N 0 0 243.354 3.538 20 0 BHADRN CC[C@@H](CC(=O)N[C@]12C[C@H]1CCC2)C(C)(C)C ZINC000887031586 592424242 /nfs/dbraw/zinc/42/42/42/592424242.db2.gz BASSPPRPCFYQHK-YWPYICTPSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CCC(C)(C)C)C(=O)N[C@]12C[C@H]1CCC2 ZINC000887034649 585346059 /nfs/dbraw/zinc/34/60/59/585346059.db2.gz GJAKLQWEHXXFOQ-YWPYICTPSA-N 0 0 237.387 3.508 20 0 BHADRN C[C@@H](CC(=O)N[C@]12C[C@H]1CCC2)CC(C)(C)C ZINC000887040229 592429660 /nfs/dbraw/zinc/42/96/60/592429660.db2.gz ILPZCOMJNMJHNP-YWPYICTPSA-N 0 0 237.387 3.508 20 0 BHADRN CCCC(=O)Nc1cc2ccccc2c(OC)c1 ZINC000887078472 592436194 /nfs/dbraw/zinc/43/61/94/592436194.db2.gz TXRYLTNOYYXMRA-UHFFFAOYSA-N 0 0 243.306 3.587 20 0 BHADRN Cc1ccccc1NC(=O)NC1CCC=CCC1 ZINC000887160371 592464107 /nfs/dbraw/zinc/46/41/07/592464107.db2.gz MILOWLGOQMBPBF-UHFFFAOYSA-N 0 0 244.338 3.615 20 0 BHADRN CC(C)=C(C)CC(=O)Nc1nc(C2CC2)c(C)o1 ZINC000887243002 592471215 /nfs/dbraw/zinc/47/12/15/592471215.db2.gz XMRGZFLWKUMESA-UHFFFAOYSA-N 0 0 248.326 3.545 20 0 BHADRN CCCCCCc1csc(-c2cccnn2)n1 ZINC000887277218 592475647 /nfs/dbraw/zinc/47/56/47/592475647.db2.gz PIHYMGRTIZJOIX-UHFFFAOYSA-N 0 0 247.367 3.723 20 0 BHADRN c1sc(-c2cccnn2)nc1C1CCCCC1 ZINC000887277221 592475709 /nfs/dbraw/zinc/47/57/09/592475709.db2.gz 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592608912 /nfs/dbraw/zinc/60/89/12/592608912.db2.gz MDCVDRLKNNHARK-DZGCQCFKSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)N1CC[C@H]1C1CCCC1 ZINC000889407236 592609266 /nfs/dbraw/zinc/60/92/66/592609266.db2.gz MDCVDRLKNNHARK-HIFRSBDPSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1C=CCCC1)N1CC[C@@H]1C1CCCC1 ZINC000889407237 592609047 /nfs/dbraw/zinc/60/90/47/592609047.db2.gz MDCVDRLKNNHARK-UKRRQHHQSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@H]1C=CCCC1)N1CC[C@H]1C1CCCC1 ZINC000889407238 592609417 /nfs/dbraw/zinc/60/94/17/592609417.db2.gz MDCVDRLKNNHARK-ZFWWWQNUSA-N 0 0 247.382 3.524 20 0 BHADRN CCCC[C@H](C)C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889408779 592608972 /nfs/dbraw/zinc/60/89/72/592608972.db2.gz APNSTWIOXCGIQG-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC[C@H](C)C(=O)N1CC[C@H]1C1CCCC1 ZINC000889408780 592609007 /nfs/dbraw/zinc/60/90/07/592609007.db2.gz APNSTWIOXCGIQG-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CC[C@H]1C1CCCC1 ZINC000889408781 592609390 /nfs/dbraw/zinc/60/93/90/592609390.db2.gz APNSTWIOXCGIQG-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC[C@@H](C)C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889408782 592609093 /nfs/dbraw/zinc/60/90/93/592609093.db2.gz APNSTWIOXCGIQG-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CC1(CC(=O)N2CC[C@H]2C2CCCC2)CCCC1 ZINC000889409149 583212689 /nfs/dbraw/zinc/21/26/89/583212689.db2.gz FZQBGUWPJIGDGX-AWEZNQCLSA-N 0 0 249.398 3.748 20 0 BHADRN CC1(CC(=O)N2CC[C@@H]2C2CCCC2)CCCC1 ZINC000889409150 583212291 /nfs/dbraw/zinc/21/22/91/583212291.db2.gz FZQBGUWPJIGDGX-CQSZACIVSA-N 0 0 249.398 3.748 20 0 BHADRN CC(C)(CC(=O)N1CC[C@H]1C1CCCC1)C1CC1 ZINC000889409354 635613684 /nfs/dbraw/zinc/61/36/84/635613684.db2.gz IDUBUMIEQGVNGP-AWEZNQCLSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(CC(=O)N1CC[C@@H]1C1CCCC1)C1CC1 ZINC000889409355 635612818 /nfs/dbraw/zinc/61/28/18/635612818.db2.gz IDUBUMIEQGVNGP-CQSZACIVSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)CCCC(=O)N1CC[C@H]1C1CCCC1 ZINC000889409626 592608967 /nfs/dbraw/zinc/60/89/67/592608967.db2.gz KXQGDOGPICRIJL-AWEZNQCLSA-N 0 0 237.387 3.604 20 0 BHADRN CC(C)CCCC(=O)N1CC[C@@H]1C1CCCC1 ZINC000889409627 592609209 /nfs/dbraw/zinc/60/92/09/592609209.db2.gz KXQGDOGPICRIJL-CQSZACIVSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H](C)CCC(=O)N1CC[C@@H]1C1CCCC1 ZINC000889410151 592609137 /nfs/dbraw/zinc/60/91/37/592609137.db2.gz QOQIGPVGVCYYTI-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@H](C)CCC(=O)N1CC[C@H]1C1CCCC1 ZINC000889410153 592609066 /nfs/dbraw/zinc/60/90/66/592609066.db2.gz QOQIGPVGVCYYTI-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](C)CCC(=O)N1CC[C@H]1C1CCCC1 ZINC000889410154 592609054 /nfs/dbraw/zinc/60/90/54/592609054.db2.gz QOQIGPVGVCYYTI-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H](C)CCC(=O)N1CC[C@@H]1C1CCCC1 ZINC000889410155 592609061 /nfs/dbraw/zinc/60/90/61/592609061.db2.gz QOQIGPVGVCYYTI-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889410430 592609250 /nfs/dbraw/zinc/60/92/50/592609250.db2.gz UIRNLJAZJOXGAQ-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]1C1CCCC1 ZINC000889410431 592609203 /nfs/dbraw/zinc/60/92/03/592609203.db2.gz UIRNLJAZJOXGAQ-SNPRPXQTSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889410432 592609317 /nfs/dbraw/zinc/60/93/17/592609317.db2.gz UIRNLJAZJOXGAQ-VHDGCEQUSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CCC[C@H]1C(=O)N1CC[C@H]1C1CCCC1 ZINC000889410433 592609073 /nfs/dbraw/zinc/60/90/73/592609073.db2.gz UIRNLJAZJOXGAQ-YUELXQCFSA-N 0 0 249.398 3.604 20 0 BHADRN CCCC(C)(C)C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889411532 592610063 /nfs/dbraw/zinc/61/00/63/592610063.db2.gz CMPLBKAXJDHFCS-CYBMUJFWSA-N 0 0 237.387 3.604 20 0 BHADRN CCCC(C)(C)C(=O)N1CC[C@H]1C1CCCC1 ZINC000889411533 592609848 /nfs/dbraw/zinc/60/98/48/592609848.db2.gz CMPLBKAXJDHFCS-ZDUSSCGKSA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889412091 592609707 /nfs/dbraw/zinc/60/97/07/592609707.db2.gz LZUBOJSUCHQJHI-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H]1C1CCCC1 ZINC000889412092 592610046 /nfs/dbraw/zinc/61/00/46/592610046.db2.gz LZUBOJSUCHQJHI-SNPRPXQTSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889412093 592610191 /nfs/dbraw/zinc/61/01/91/592610191.db2.gz LZUBOJSUCHQJHI-VHDGCEQUSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1C(=O)N1CC[C@H]1C1CCCC1 ZINC000889412094 592609991 /nfs/dbraw/zinc/60/99/91/592609991.db2.gz LZUBOJSUCHQJHI-YUELXQCFSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1CC[C@H](C(=O)N2CC[C@@H]2C2CCCC2)CC1 ZINC000889412383 592610142 /nfs/dbraw/zinc/61/01/42/592610142.db2.gz RFLOABOSZMGHMJ-BPLDGKMQSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1CC[C@H](C(=O)N2CC[C@H]2C2CCCC2)CC1 ZINC000889412384 592609851 /nfs/dbraw/zinc/60/98/51/592609851.db2.gz RFLOABOSZMGHMJ-QEJZJMRPSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@]1(C(=O)N2CC[C@@H]2C2CCCC2)CC=CCC1 ZINC000889412393 582479129 /nfs/dbraw/zinc/47/91/29/582479129.db2.gz RLWPTEXQMWCKFA-GDBMZVCRSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@@]1(C(=O)N2CC[C@H]2C2CCCC2)CC=CCC1 ZINC000889412394 582479272 /nfs/dbraw/zinc/47/92/72/582479272.db2.gz RLWPTEXQMWCKFA-GOEBONIOSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@]1(C(=O)N2CC[C@H]2C2CCCC2)CC=CCC1 ZINC000889412395 582479033 /nfs/dbraw/zinc/47/90/33/582479033.db2.gz RLWPTEXQMWCKFA-HOCLYGCPSA-N 0 0 247.382 3.524 20 0 BHADRN C[C@]1(C(=O)N2CC[C@@H]2C2CCCC2)CC=CCC1 ZINC000889412396 582479116 /nfs/dbraw/zinc/47/91/16/582479116.db2.gz RLWPTEXQMWCKFA-ZBFHGGJFSA-N 0 0 247.382 3.524 20 0 BHADRN CC(C)=C(C)CC(=O)N1CC[C@H]1C1CCCC1 ZINC000889412497 582479840 /nfs/dbraw/zinc/47/98/40/582479840.db2.gz UDEQFSNZFMVPHT-AWEZNQCLSA-N 0 0 235.371 3.524 20 0 BHADRN CC(C)=C(C)CC(=O)N1CC[C@@H]1C1CCCC1 ZINC000889412498 582479770 /nfs/dbraw/zinc/47/97/70/582479770.db2.gz UDEQFSNZFMVPHT-CQSZACIVSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CCC[C@]1(C)C(=O)N1CC[C@H]1C1CCCC1 ZINC000889412619 582480544 /nfs/dbraw/zinc/48/05/44/582480544.db2.gz XBJWDEQZKQNBII-INWMFGNUSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@@]1(C)C(=O)N1CC[C@H]1C1CCCC1 ZINC000889412620 582480475 /nfs/dbraw/zinc/48/04/75/582480475.db2.gz XBJWDEQZKQNBII-IVMMDQJWSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@@]1(C)C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889412621 582480868 /nfs/dbraw/zinc/48/08/68/582480868.db2.gz XBJWDEQZKQNBII-XNRPHZJLSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@]1(C)C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889412622 582480866 /nfs/dbraw/zinc/48/08/66/582480866.db2.gz XBJWDEQZKQNBII-XPKDYRNWSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(C(=O)N1CC[C@H]1C1CCCC1)C1CCC1 ZINC000889412760 582481348 /nfs/dbraw/zinc/48/13/48/582481348.db2.gz ZSXZCBVWCBBDNL-AWEZNQCLSA-N 0 0 249.398 3.604 20 0 BHADRN CC(C)(C(=O)N1CC[C@@H]1C1CCCC1)C1CCC1 ZINC000889412761 582481321 /nfs/dbraw/zinc/48/13/21/582481321.db2.gz ZSXZCBVWCBBDNL-CQSZACIVSA-N 0 0 249.398 3.604 20 0 BHADRN O=C(C1CCC=CCC1)N1CC[C@H]1C1CCCC1 ZINC000889415754 592610693 /nfs/dbraw/zinc/61/06/93/592610693.db2.gz GFNFTYVJUYDCNO-HNNXBMFYSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C1CCC=CCC1)N1CC[C@@H]1C1CCCC1 ZINC000889415755 592610709 /nfs/dbraw/zinc/61/07/09/592610709.db2.gz GFNFTYVJUYDCNO-OAHLLOKOSA-N 0 0 247.382 3.524 20 0 BHADRN CCC[C@H](CC)C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889416374 592610987 /nfs/dbraw/zinc/61/09/87/592610987.db2.gz UBNDAUPEHVXAOS-GXTWGEPZSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@H](CC)C(=O)N1CC[C@H]1C1CCCC1 ZINC000889416375 592610884 /nfs/dbraw/zinc/61/08/84/592610884.db2.gz UBNDAUPEHVXAOS-JSGCOSHPSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](CC)C(=O)N1CC[C@H]1C1CCCC1 ZINC000889416376 592610959 /nfs/dbraw/zinc/61/09/59/592610959.db2.gz UBNDAUPEHVXAOS-OCCSQVGLSA-N 0 0 237.387 3.604 20 0 BHADRN CCC[C@@H](CC)C(=O)N1CC[C@@H]1C1CCCC1 ZINC000889416377 592610503 /nfs/dbraw/zinc/61/05/03/592610503.db2.gz UBNDAUPEHVXAOS-TZMCWYRMSA-N 0 0 237.387 3.604 20 0 BHADRN O=C(C[C@H]1CC=CCC1)N1CC[C@@H]1C1CCCC1 ZINC000889417507 592610403 /nfs/dbraw/zinc/61/04/03/592610403.db2.gz DGJVVYPWVPMNHC-DZGCQCFKSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1CC=CCC1)N1CC[C@H]1C1CCCC1 ZINC000889417508 592610778 /nfs/dbraw/zinc/61/07/78/592610778.db2.gz DGJVVYPWVPMNHC-HIFRSBDPSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@@H]1CC=CCC1)N1CC[C@@H]1C1CCCC1 ZINC000889417509 592610526 /nfs/dbraw/zinc/61/05/26/592610526.db2.gz DGJVVYPWVPMNHC-UKRRQHHQSA-N 0 0 247.382 3.524 20 0 BHADRN O=C(C[C@H]1CC=CCC1)N1CC[C@H]1C1CCCC1 ZINC000889417510 592610830 /nfs/dbraw/zinc/61/08/30/592610830.db2.gz DGJVVYPWVPMNHC-ZFWWWQNUSA-N 0 0 247.382 3.524 20 0 BHADRN CCCCC1(C(=O)N2CC[C@H]2C2CCCC2)CC1 ZINC000889418088 592610562 /nfs/dbraw/zinc/61/05/62/592610562.db2.gz ZCASAJWLEFZTHV-AWEZNQCLSA-N 0 0 249.398 3.748 20 0 BHADRN CCCCC1(C(=O)N2CC[C@@H]2C2CCCC2)CC1 ZINC000889418089 592610853 /nfs/dbraw/zinc/61/08/53/592610853.db2.gz ZCASAJWLEFZTHV-CQSZACIVSA-N 0 0 249.398 3.748 20 0 BHADRN CN(C(=O)C1(C2CC2)CC1)C1CCC(C)(C)CC1 ZINC000889461017 592612111 /nfs/dbraw/zinc/61/21/11/592612111.db2.gz LCAKGQFHSAJFEL-UHFFFAOYSA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC1(NC(=O)C2CCC=CCC2)CC1 ZINC000889523070 582813439 /nfs/dbraw/zinc/81/34/39/582813439.db2.gz AAXYDBQJAJVUSR-UHFFFAOYSA-N 0 0 235.371 3.572 20 0 BHADRN CCCCC1(NC(=O)CC(C)=C(C)C)CC1 ZINC000889525026 582815508 /nfs/dbraw/zinc/81/55/08/582815508.db2.gz IXLXHNQMYYCRBN-UHFFFAOYSA-N 0 0 223.360 3.572 20 0 BHADRN CCCCC1(NC(=O)c2ccc(CF)cc2)CC1 ZINC000889525080 592617324 /nfs/dbraw/zinc/61/73/24/592617324.db2.gz KNNPBLPCGSMHRA-UHFFFAOYSA-N 0 0 249.329 3.609 20 0 BHADRN CCCCC1(NC(=O)C[C@@H](C)c2ccco2)CC1 ZINC000889525252 631841770 /nfs/dbraw/zinc/84/17/70/631841770.db2.gz MQFWTFOMNMRMKR-GFCCVEGCSA-N 0 0 249.354 3.612 20 0 BHADRN CCCCC1(NC(=O)C[C@H](C)c2ccco2)CC1 ZINC000889525253 631841372 /nfs/dbraw/zinc/84/13/72/631841372.db2.gz MQFWTFOMNMRMKR-LBPRGKRZSA-N 0 0 249.354 3.612 20 0 BHADRN CCCCC1(NC(=O)c2ccoc2C2CC2)CC1 ZINC000889526466 582817219 /nfs/dbraw/zinc/81/72/19/582817219.db2.gz FTIYICKZJDBFMJ-UHFFFAOYSA-N 0 0 247.338 3.610 20 0 BHADRN CCCCC1(NC(=O)[C@@H](CC)CC(F)F)CC1 ZINC000889526496 582817380 /nfs/dbraw/zinc/81/73/80/582817380.db2.gz GOBYECORAGSGEK-JTQLQIEISA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC1(NC(=O)[C@H](CC)CC(F)F)CC1 ZINC000889526497 582817034 /nfs/dbraw/zinc/81/70/34/582817034.db2.gz GOBYECORAGSGEK-SNVBAGLBSA-N 0 0 247.329 3.507 20 0 BHADRN CCCCC1(NC(=O)c2cc[nH]c2C(C)C)CC1 ZINC000889526501 582817324 /nfs/dbraw/zinc/81/73/24/582817324.db2.gz GVZNRRCFHAKVPF-UHFFFAOYSA-N 0 0 248.370 3.591 20 0 BHADRN CCCCC1(NC(=O)c2ccsc2C)CC1 ZINC000889526782 582818101 /nfs/dbraw/zinc/81/81/01/582818101.db2.gz RKSVIMFMAXXTQX-UHFFFAOYSA-N 0 0 237.368 3.509 20 0 BHADRN Cc1ccc(Cl)c(NC(=O)C2(C3CC3)CC2)c1 ZINC000889527142 592617441 /nfs/dbraw/zinc/61/74/41/592617441.db2.gz DHAFIBCVIDTSHI-UHFFFAOYSA-N 0 0 249.741 3.777 20 0 BHADRN CCCCC1(NC(=O)[C@H](C)c2ccccc2)CC1 ZINC000889528764 582820835 /nfs/dbraw/zinc/82/08/35/582820835.db2.gz YFINCSFGAOARPX-CYBMUJFWSA-N 0 0 245.366 3.629 20 0 BHADRN CCCCC1(NC(=O)[C@@H](C)c2ccccc2)CC1 ZINC000889528765 582821259 /nfs/dbraw/zinc/82/12/59/582821259.db2.gz YFINCSFGAOARPX-ZDUSSCGKSA-N 0 0 245.366 3.629 20 0 BHADRN CCCCC1(NC(=O)c2cscc2C)CC1 ZINC000889530006 592618379 /nfs/dbraw/zinc/61/83/79/592618379.db2.gz DJUKGSVXPJAPRV-UHFFFAOYSA-N 0 0 237.368 3.509 20 0 BHADRN CCCCC1(NC(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000889530166 592618278 /nfs/dbraw/zinc/61/82/78/592618278.db2.gz HENFYRZLZQLUMQ-GFCCVEGCSA-N 0 0 249.354 3.531 20 0 BHADRN CCCCC1(NC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000889530167 592618063 /nfs/dbraw/zinc/61/80/63/592618063.db2.gz HENFYRZLZQLUMQ-LBPRGKRZSA-N 0 0 249.354 3.531 20 0 BHADRN CCCCC1(NC(=O)c2c(C)oc(C)c2C)CC1 ZINC000889532819 592619074 /nfs/dbraw/zinc/61/90/74/592619074.db2.gz UUIXWYPLKKPYSG-UHFFFAOYSA-N 0 0 249.354 3.657 20 0 BHADRN CCCCC1(NC(=O)c2sccc2C)CC1 ZINC000889534128 592619057 /nfs/dbraw/zinc/61/90/57/592619057.db2.gz NJUYEAAOJKHPLA-UHFFFAOYSA-N 0 0 237.368 3.509 20 0 BHADRN C[C@@H](OC(=O)c1cscc1C(F)F)C1CC1 ZINC000889767602 592652855 /nfs/dbraw/zinc/65/28/55/592652855.db2.gz ZYVYPXFWGXXAFM-ZCFIWIBFSA-N 0 0 246.278 3.641 20 0 BHADRN C[C@H](OC(=O)c1cscc1C(F)F)C1CC1 ZINC000889771835 583614476 /nfs/dbraw/zinc/61/44/76/583614476.db2.gz ZYVYPXFWGXXAFM-LURJTMIESA-N 0 0 246.278 3.641 20 0 BHADRN O=C(Nc1ccc(C2CC2)cc1)C1(C2CC2)CC1 ZINC000889845612 584911268 /nfs/dbraw/zinc/91/12/68/584911268.db2.gz XLSDHHGSUASSDA-UHFFFAOYSA-N 0 0 241.334 3.693 20 0 BHADRN Cc1cccc(F)c1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000889873432 592658412 /nfs/dbraw/zinc/65/84/12/592658412.db2.gz DEUKWGJGLYIGID-RYUDHWBXSA-N 0 0 247.313 3.509 20 0 BHADRN CC(C)C[C@@H](C)C(=O)Nc1cccnc1C1CC1 ZINC000889882051 592659023 /nfs/dbraw/zinc/65/90/23/592659023.db2.gz APBYHLSBQXMEPF-LLVKDONJSA-N 0 0 246.354 3.580 20 0 BHADRN CC(C)C[C@H](C)C(=O)Nc1cccnc1C1CC1 ZINC000889882053 592658999 /nfs/dbraw/zinc/65/89/99/592658999.db2.gz APBYHLSBQXMEPF-NSHDSACASA-N 0 0 246.354 3.580 20 0 BHADRN CC/C(C)=C(/C)C(=O)Nc1cccnc1C1CC1 ZINC000889882247 584930233 /nfs/dbraw/zinc/93/02/33/584930233.db2.gz FCNKBCFVDGAADH-KHPPLWFESA-N 0 0 244.338 3.644 20 0 BHADRN CC/C(C)=C(\C)C(=O)Nc1cccnc1C1CC1 ZINC000889882248 584930287 /nfs/dbraw/zinc/93/02/87/584930287.db2.gz FCNKBCFVDGAADH-ZHACJKMWSA-N 0 0 244.338 3.644 20 0 BHADRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccnc1C1CC1 ZINC000889882272 592658957 /nfs/dbraw/zinc/65/89/57/592658957.db2.gz FQSZBUPVFLCGKN-GHMZBOCLSA-N 0 0 246.354 3.580 20 0 BHADRN CC[C@@H](C)[C@H](C)C(=O)Nc1cccnc1C1CC1 ZINC000889882274 592659114 /nfs/dbraw/zinc/65/91/14/592659114.db2.gz FQSZBUPVFLCGKN-MNOVXSKESA-N 0 0 246.354 3.580 20 0 BHADRN CC[C@H](C)[C@H](C)C(=O)Nc1cccnc1C1CC1 ZINC000889882275 584930271 /nfs/dbraw/zinc/93/02/71/584930271.db2.gz FQSZBUPVFLCGKN-QWRGUYRKSA-N 0 0 246.354 3.580 20 0 BHADRN CC[C@H](C)[C@@H](C)C(=O)Nc1cccnc1C1CC1 ZINC000889882285 584930117 /nfs/dbraw/zinc/93/01/17/584930117.db2.gz FQSZBUPVFLCGKN-WDEREUQCSA-N 0 0 246.354 3.580 20 0 BHADRN CC(C)=C(C)CC(=O)Nc1cccnc1C1CC1 ZINC000889883142 592659006 /nfs/dbraw/zinc/65/90/06/592659006.db2.gz KTGMUTOZXWNQCD-UHFFFAOYSA-N 0 0 244.338 3.644 20 0 BHADRN CC(C)CCCC(=O)Nc1cccnc1C1CC1 ZINC000889883299 592659147 /nfs/dbraw/zinc/65/91/47/592659147.db2.gz OBOZENKIBYBDDB-UHFFFAOYSA-N 0 0 246.354 3.724 20 0 BHADRN O=C(NCCC1=CCCCCC1)C1(C2CC2)CC1 ZINC000889982300 592666300 /nfs/dbraw/zinc/66/63/00/592666300.db2.gz WUCMFKDLNRPODN-UHFFFAOYSA-N 0 0 247.382 3.573 20 0 BHADRN CCCCCC(=O)NCC[C@H]1CCC(F)(F)C1 ZINC000890005807 592669147 /nfs/dbraw/zinc/66/91/47/592669147.db2.gz YBQAYZYZRAYTOW-LLVKDONJSA-N 0 0 247.329 3.508 20 0 BHADRN CCCCCC(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC000890005808 592669140 /nfs/dbraw/zinc/66/91/40/592669140.db2.gz YBQAYZYZRAYTOW-NSHDSACASA-N 0 0 247.329 3.508 20 0 BHADRN CCCCC(=O)NCCC1CCC(F)(F)CC1 ZINC000890062860 592673949 /nfs/dbraw/zinc/67/39/49/592673949.db2.gz GERYJXGPRGKYLA-UHFFFAOYSA-N 0 0 247.329 3.508 20 0 BHADRN O=C([C@H]1CCC=CCCC1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890233255 591983529 /nfs/dbraw/zinc/98/35/29/591983529.db2.gz UBXUZPGNLVYMGY-KKUMJFAQSA-N 0 0 247.382 3.524 20 0 BHADRN O=C([C@@H]1CCC=CCCC1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890233256 591983097 /nfs/dbraw/zinc/98/30/97/591983097.db2.gz UBXUZPGNLVYMGY-ZNMIVQPWSA-N 0 0 247.382 3.524 20 0 BHADRN CC1=C(C)C[C@@H](C(=O)N2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000890235786 592015781 /nfs/dbraw/zinc/01/57/81/592015781.db2.gz UZWDTQVDKONCBQ-KKUMJFAQSA-N 0 0 247.382 3.524 20 0 BHADRN CCC[C@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890236273 592690622 /nfs/dbraw/zinc/69/06/22/592690622.db2.gz YQXCNWORUDOTKY-AJNGGQMLSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890236274 592690690 /nfs/dbraw/zinc/69/06/90/592690690.db2.gz YQXCNWORUDOTKY-BARDWOONSA-N 0 0 249.398 3.604 20 0 BHADRN CCC[C@H]1CCC[C@H]1C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890236275 592690517 /nfs/dbraw/zinc/69/05/17/592690517.db2.gz YQXCNWORUDOTKY-XQLPTFJDSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CCCC[C@H]1C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890237477 592017862 /nfs/dbraw/zinc/01/78/62/592017862.db2.gz OOZMWZDDWJHMDG-IHRRRGAJSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@H]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890237565 592027023 /nfs/dbraw/zinc/02/70/23/592027023.db2.gz SXAZIJKIQHMWCN-AJNGGQMLSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@@H]1CCCC[C@H]1C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890237567 592026934 /nfs/dbraw/zinc/02/69/34/592026934.db2.gz SXAZIJKIQHMWCN-BARDWOONSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@H]1CCCC[C@H]1C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890237568 592026999 /nfs/dbraw/zinc/02/69/99/592026999.db2.gz SXAZIJKIQHMWCN-XQLPTFJDSA-N 0 0 249.398 3.604 20 0 BHADRN CC1(C)CCC[C@@H](C(=O)N2CC[C@@H]3CCC[C@@H]32)C1 ZINC000890239413 592079450 /nfs/dbraw/zinc/07/94/50/592079450.db2.gz MLJUSBOFPYEAQS-MJBXVCDLSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H](CC1CCCC1)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890240354 592690467 /nfs/dbraw/zinc/69/04/67/592690467.db2.gz PFNTZPYXQCZHML-QEJZJMRPSA-N 0 0 249.398 3.604 20 0 BHADRN O=C(C1CCCCCCC1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890240383 592690679 /nfs/dbraw/zinc/69/06/79/592690679.db2.gz ROWXLXLZNKGUPJ-ZFWWWQNUSA-N 0 0 249.398 3.748 20 0 BHADRN C[C@H]1CCCC[C@H]1CC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890242314 645880748 /nfs/dbraw/zinc/88/07/48/645880748.db2.gz AYXPDOSRSJWJQI-AJNGGQMLSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCCC[C@H]1CC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890242315 645881483 /nfs/dbraw/zinc/88/14/83/645881483.db2.gz AYXPDOSRSJWJQI-QPSCCSFWSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890242316 645881704 /nfs/dbraw/zinc/88/17/04/645881704.db2.gz AYXPDOSRSJWJQI-XQLPTFJDSA-N 0 0 249.398 3.604 20 0 BHADRN CCCC[C@@H](CC)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000890242944 592690470 /nfs/dbraw/zinc/69/04/70/592690470.db2.gz BUWFGWCXRQWKDU-RDBSUJKOSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCCCC(=O)Nc1ccnn1C1CCC1 ZINC000890349688 592693367 /nfs/dbraw/zinc/69/33/67/592693367.db2.gz BZKTUMJMSRUCHM-UHFFFAOYSA-N 0 0 249.358 3.517 20 0 BHADRN C[C@H](C1CCCCC1)N(C)C(=O)C1(C2CC2)CC1 ZINC000890443671 592699099 /nfs/dbraw/zinc/69/90/99/592699099.db2.gz HPPOQHMIBHKSCS-GFCCVEGCSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H](C1CCCCC1)N(C)C(=O)C1(C2CC2)CC1 ZINC000890443673 592698380 /nfs/dbraw/zinc/69/83/80/592698380.db2.gz HPPOQHMIBHKSCS-LBPRGKRZSA-N 0 0 249.398 3.604 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)CC(C)C ZINC000890607408 643182553 /nfs/dbraw/zinc/18/25/53/643182553.db2.gz CMLPUBUDOWKEJE-AWEZNQCLSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)CC(C)C ZINC000890607415 643182778 /nfs/dbraw/zinc/18/27/78/643182778.db2.gz CMLPUBUDOWKEJE-CQSZACIVSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)C1CCCC1 ZINC000890608180 582487319 /nfs/dbraw/zinc/48/73/19/582487319.db2.gz NCVVABXADARYQQ-HNNXBMFYSA-N 0 0 243.350 3.670 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)C1CCCC1 ZINC000890608181 582487216 /nfs/dbraw/zinc/48/72/16/582487216.db2.gz NCVVABXADARYQQ-OAHLLOKOSA-N 0 0 243.350 3.670 20 0 BHADRN CCCCC(=O)N1Cc2ccccc2[C@@H]1CC ZINC000890608539 582487189 /nfs/dbraw/zinc/48/71/89/582487189.db2.gz ADLXKRZARJABTQ-AWEZNQCLSA-N 0 0 231.339 3.670 20 0 BHADRN CCCCC(=O)N1Cc2ccccc2[C@H]1CC ZINC000890608540 582487366 /nfs/dbraw/zinc/48/73/66/582487366.db2.gz ADLXKRZARJABTQ-CQSZACIVSA-N 0 0 231.339 3.670 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)CCC(C)C ZINC000890609038 582487392 /nfs/dbraw/zinc/48/73/92/582487392.db2.gz XYRJEOQRBOKFGN-HNNXBMFYSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)CCC(C)C ZINC000890609039 582487269 /nfs/dbraw/zinc/48/72/69/582487269.db2.gz XYRJEOQRBOKFGN-OAHLLOKOSA-N 0 0 245.366 3.916 20 0 BHADRN CCC(CC)C(=O)N1Cc2ccccc2[C@@H]1CC ZINC000890609612 582487222 /nfs/dbraw/zinc/48/72/22/582487222.db2.gz LADVAYPBJYMBBP-HNNXBMFYSA-N 0 0 245.366 3.916 20 0 BHADRN CCC(CC)C(=O)N1Cc2ccccc2[C@H]1CC ZINC000890609613 582487484 /nfs/dbraw/zinc/48/74/84/582487484.db2.gz LADVAYPBJYMBBP-OAHLLOKOSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)C(C)(C)CC ZINC000890609731 582487291 /nfs/dbraw/zinc/48/72/91/582487291.db2.gz HDHFPFGFRYAFOT-AWEZNQCLSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)C(C)(C)CC ZINC000890609732 582487348 /nfs/dbraw/zinc/48/73/48/582487348.db2.gz HDHFPFGFRYAFOT-CQSZACIVSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)C1(CC)CC1 ZINC000890610339 582487450 /nfs/dbraw/zinc/48/74/50/582487450.db2.gz BTQAELRCPCPYAR-AWEZNQCLSA-N 0 0 243.350 3.670 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)C1(CC)CC1 ZINC000890610340 582487294 /nfs/dbraw/zinc/48/72/94/582487294.db2.gz BTQAELRCPCPYAR-CQSZACIVSA-N 0 0 243.350 3.670 20 0 BHADRN CCC[C@@H](C)C(=O)N1Cc2ccccc2[C@@H]1CC ZINC000890610381 582487310 /nfs/dbraw/zinc/48/73/10/582487310.db2.gz LDFTYEVHYOOMLR-DOMZBBRYSA-N 0 0 245.366 3.916 20 0 BHADRN CCC[C@@H](C)C(=O)N1Cc2ccccc2[C@H]1CC ZINC000890610382 582487487 /nfs/dbraw/zinc/48/74/87/582487487.db2.gz LDFTYEVHYOOMLR-IUODEOHRSA-N 0 0 245.366 3.916 20 0 BHADRN CCC[C@H](C)C(=O)N1Cc2ccccc2[C@H]1CC ZINC000890610383 582487292 /nfs/dbraw/zinc/48/72/92/582487292.db2.gz LDFTYEVHYOOMLR-SWLSCSKDSA-N 0 0 245.366 3.916 20 0 BHADRN CCC[C@H](C)C(=O)N1Cc2ccccc2[C@@H]1CC ZINC000890610384 582487234 /nfs/dbraw/zinc/48/72/34/582487234.db2.gz LDFTYEVHYOOMLR-WFASDCNBSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@@H](C)C(=O)N1Cc2ccccc2[C@H]1CC ZINC000890610500 582487324 /nfs/dbraw/zinc/48/73/24/582487324.db2.gz RVVRDJBILKFPRY-BXUZGUMPSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@H](C)C(=O)N1Cc2ccccc2[C@@H]1CC ZINC000890610501 582487495 /nfs/dbraw/zinc/48/74/95/582487495.db2.gz RVVRDJBILKFPRY-FZMZJTMJSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@@H](C)C(=O)N1Cc2ccccc2[C@@H]1CC ZINC000890610502 582487317 /nfs/dbraw/zinc/48/73/17/582487317.db2.gz RVVRDJBILKFPRY-RISCZKNCSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@H](C)C(=O)N1Cc2ccccc2[C@H]1CC ZINC000890610503 582487360 /nfs/dbraw/zinc/48/73/60/582487360.db2.gz RVVRDJBILKFPRY-SMDDNHRTSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)C(C)(C)C ZINC000890610530 582487472 /nfs/dbraw/zinc/48/74/72/582487472.db2.gz STCCWSLHGBVBGY-CYBMUJFWSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)C(C)(C)C ZINC000890610531 582487283 /nfs/dbraw/zinc/48/72/83/582487283.db2.gz STCCWSLHGBVBGY-ZDUSSCGKSA-N 0 0 231.339 3.526 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)CC(C)(C)C ZINC000890611088 582487657 /nfs/dbraw/zinc/48/76/57/582487657.db2.gz YZUGSZDJPBPQBU-AWEZNQCLSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)CC(C)(C)C ZINC000890611089 582487646 /nfs/dbraw/zinc/48/76/46/582487646.db2.gz YZUGSZDJPBPQBU-CQSZACIVSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)[C@H](C)C(C)C ZINC000890611356 582487859 /nfs/dbraw/zinc/48/78/59/582487859.db2.gz VGYOTEWDXSKOOL-DOMZBBRYSA-N 0 0 245.366 3.772 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)[C@H](C)C(C)C ZINC000890611357 582487698 /nfs/dbraw/zinc/48/76/98/582487698.db2.gz VGYOTEWDXSKOOL-IUODEOHRSA-N 0 0 245.366 3.772 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)[C@@H](C)C(C)C ZINC000890611358 582487840 /nfs/dbraw/zinc/48/78/40/582487840.db2.gz VGYOTEWDXSKOOL-SWLSCSKDSA-N 0 0 245.366 3.772 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)[C@@H](C)C(C)C ZINC000890611359 582487771 /nfs/dbraw/zinc/48/77/71/582487771.db2.gz VGYOTEWDXSKOOL-WFASDCNBSA-N 0 0 245.366 3.772 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)CCC1CC1 ZINC000890611405 582487847 /nfs/dbraw/zinc/48/78/47/582487847.db2.gz WMCCKPNIVNWODP-HNNXBMFYSA-N 0 0 243.350 3.670 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)CCC1CC1 ZINC000890611406 582487804 /nfs/dbraw/zinc/48/78/04/582487804.db2.gz WMCCKPNIVNWODP-OAHLLOKOSA-N 0 0 243.350 3.670 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)[C@H](C)C1CC1 ZINC000890612060 582487717 /nfs/dbraw/zinc/48/77/17/582487717.db2.gz HWVVKVUJFPGWLB-ABAIWWIYSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)[C@H](C)C1CC1 ZINC000890612061 582487614 /nfs/dbraw/zinc/48/76/14/582487614.db2.gz HWVVKVUJFPGWLB-IAQYHMDHSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)[C@@H](C)C1CC1 ZINC000890612062 582487858 /nfs/dbraw/zinc/48/78/58/582487858.db2.gz HWVVKVUJFPGWLB-NHYWBVRUSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)[C@@H](C)C1CC1 ZINC000890612063 582487655 /nfs/dbraw/zinc/48/76/55/582487655.db2.gz HWVVKVUJFPGWLB-XHDPSFHLSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)C1(C)CCC1 ZINC000890612199 582487878 /nfs/dbraw/zinc/48/78/78/582487878.db2.gz JLXBODYGEGYKMC-AWEZNQCLSA-N 0 0 243.350 3.670 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)C1(C)CCC1 ZINC000890612200 582487784 /nfs/dbraw/zinc/48/77/84/582487784.db2.gz JLXBODYGEGYKMC-CQSZACIVSA-N 0 0 243.350 3.670 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)C1=CCCC1 ZINC000890612273 582487638 /nfs/dbraw/zinc/48/76/38/582487638.db2.gz KNDIHNFYTQGLHY-HNNXBMFYSA-N 0 0 241.334 3.590 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)C1=CCCC1 ZINC000890612274 582487835 /nfs/dbraw/zinc/48/78/35/582487835.db2.gz KNDIHNFYTQGLHY-OAHLLOKOSA-N 0 0 241.334 3.590 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)C=C1CCC1 ZINC000890612800 582487592 /nfs/dbraw/zinc/48/75/92/582487592.db2.gz RLXVSQJMUMZZLW-HNNXBMFYSA-N 0 0 241.334 3.590 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)C=C1CCC1 ZINC000890612802 582487760 /nfs/dbraw/zinc/48/77/60/582487760.db2.gz RLXVSQJMUMZZLW-OAHLLOKOSA-N 0 0 241.334 3.590 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)[C@@H]1CC1(C)C ZINC000890613082 582487809 /nfs/dbraw/zinc/48/78/09/582487809.db2.gz UXGMZINQKWLARH-KBPBESRZSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)[C@H]1CC1(C)C ZINC000890613083 582487798 /nfs/dbraw/zinc/48/77/98/582487798.db2.gz UXGMZINQKWLARH-KGLIPLIRSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)[C@@H]1CC1(C)C ZINC000890613084 582487674 /nfs/dbraw/zinc/48/76/74/582487674.db2.gz UXGMZINQKWLARH-UONOGXRCSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)[C@H]1CC1(C)C ZINC000890613085 582487827 /nfs/dbraw/zinc/48/78/27/582487827.db2.gz UXGMZINQKWLARH-ZIAGYGMSSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)N1Cc2ccccc2[C@@H]1CC ZINC000890614269 582488003 /nfs/dbraw/zinc/48/80/03/582488003.db2.gz PBCJUHPFNHUSKT-DFBGVHRSSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@@H]1C[C@H]1C(=O)N1Cc2ccccc2[C@H]1CC ZINC000890614270 582488100 /nfs/dbraw/zinc/48/81/00/582488100.db2.gz PBCJUHPFNHUSKT-KCPJHIHWSA-N 0 0 243.350 3.526 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)/C=C(\C)Cl ZINC000890616317 582488005 /nfs/dbraw/zinc/48/80/05/582488005.db2.gz OYMGRRWCSGJVKR-AORWBKJGSA-N 0 0 249.741 3.623 20 0 BHADRN CC[C@@H]1c2ccccc2CN1C(=O)/C=C(/C)Cl ZINC000890616318 582488245 /nfs/dbraw/zinc/48/82/45/582488245.db2.gz OYMGRRWCSGJVKR-CHOZFAJLSA-N 0 0 249.741 3.623 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)/C=C(\C)Cl ZINC000890616319 582488278 /nfs/dbraw/zinc/48/82/78/582488278.db2.gz OYMGRRWCSGJVKR-FROQITRMSA-N 0 0 249.741 3.623 20 0 BHADRN CC[C@H]1c2ccccc2CN1C(=O)/C=C(/C)Cl ZINC000890616320 582488136 /nfs/dbraw/zinc/48/81/36/582488136.db2.gz OYMGRRWCSGJVKR-KJJQSCHISA-N 0 0 249.741 3.623 20 0 BHADRN CC[C@@H](C)CC(=O)N1Cc2ccccc2[C@@H]1CC ZINC000890616430 582488237 /nfs/dbraw/zinc/48/82/37/582488237.db2.gz VRWZSQIUTZZYLW-DOMZBBRYSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@@H](C)CC(=O)N1Cc2ccccc2[C@H]1CC ZINC000890616431 582488293 /nfs/dbraw/zinc/48/82/93/582488293.db2.gz VRWZSQIUTZZYLW-IUODEOHRSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@H](C)CC(=O)N1Cc2ccccc2[C@H]1CC ZINC000890616432 582488160 /nfs/dbraw/zinc/48/81/60/582488160.db2.gz VRWZSQIUTZZYLW-SWLSCSKDSA-N 0 0 245.366 3.916 20 0 BHADRN CC[C@H](C)CC(=O)N1Cc2ccccc2[C@@H]1CC ZINC000890616433 582488164 /nfs/dbraw/zinc/48/81/64/582488164.db2.gz VRWZSQIUTZZYLW-WFASDCNBSA-N 0 0 245.366 3.916 20 0 BHADRN CCCCCCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000890934918 582591635 /nfs/dbraw/zinc/59/16/35/582591635.db2.gz RKNMXVHSNPUUBO-BFHYXJOUSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000890934923 582591177 /nfs/dbraw/zinc/59/11/77/582591177.db2.gz RKNMXVHSNPUUBO-HZSPNIEDSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000890934924 582591563 /nfs/dbraw/zinc/59/15/63/582591563.db2.gz RKNMXVHSNPUUBO-MELADBBJSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000890934925 582591208 /nfs/dbraw/zinc/59/12/08/582591208.db2.gz RKNMXVHSNPUUBO-MGPQQGTHSA-N 0 0 239.403 3.898 20 0 BHADRN CCCCCCN(Cc1ccco1)C(=O)C1CC1 ZINC000890935530 582591251 /nfs/dbraw/zinc/59/12/51/582591251.db2.gz ACPIMYVVCJAYGB-UHFFFAOYSA-N 0 0 249.354 3.599 20 0 BHADRN C/C=C/C(=O)N(CCCCCC)Cc1ccco1 ZINC000890935934 582591455 /nfs/dbraw/zinc/59/14/55/582591455.db2.gz FYZDSBSBYUYUIJ-RUDMXATFSA-N 0 0 249.354 3.765 20 0 BHADRN C/C=C\C(=O)N(CCCCCC)Cc1ccco1 ZINC000890935935 582591419 /nfs/dbraw/zinc/59/14/19/582591419.db2.gz FYZDSBSBYUYUIJ-WTKPLQERSA-N 0 0 249.354 3.765 20 0 BHADRN CCCCCCN(Cc1ccco1)C(=O)CC ZINC000890936920 582591509 /nfs/dbraw/zinc/59/15/09/582591509.db2.gz RSFPJHHENWUIJD-UHFFFAOYSA-N 0 0 237.343 3.599 20 0 BHADRN CC1(CCC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000891165961 582619040 /nfs/dbraw/zinc/61/90/40/582619040.db2.gz VNAAYSHFWNAWOZ-OLZOCXBDSA-N 0 0 249.398 3.604 20 0 BHADRN O=C(NC1(C2CCCCC2)CC1)[C@@H]1CC=CCC1 ZINC000891281640 582653097 /nfs/dbraw/zinc/65/30/97/582653097.db2.gz OTIIKTANPRRMHA-CYBMUJFWSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(NC1(C2CCCCC2)CC1)[C@H]1CC=CCC1 ZINC000891281641 582652823 /nfs/dbraw/zinc/65/28/23/582652823.db2.gz OTIIKTANPRRMHA-ZDUSSCGKSA-N 0 0 247.382 3.572 20 0 BHADRN CC[C@@H](C)C(=O)NCCCCCCC(C)C ZINC000891388166 582675853 /nfs/dbraw/zinc/67/58/53/582675853.db2.gz VRLILEVTOFGANU-CYBMUJFWSA-N 0 0 227.392 3.755 20 0 BHADRN CC[C@H](C)C(=O)NCCCCCCC(C)C ZINC000891388167 582675775 /nfs/dbraw/zinc/67/57/75/582675775.db2.gz VRLILEVTOFGANU-ZDUSSCGKSA-N 0 0 227.392 3.755 20 0 BHADRN FC(F)c1cc(SC2CCCCC2)ncn1 ZINC000891433583 631244344 /nfs/dbraw/zinc/24/43/44/631244344.db2.gz JVFYUWRQRKCYCW-UHFFFAOYSA-N 0 0 244.310 3.839 20 0 BHADRN CN(Cc1nc(C(C)(C)C)co1)c1ccccc1 ZINC000891436009 711518151 /nfs/dbraw/zinc/51/81/51/711518151.db2.gz KSFJULJUYDEEBF-UHFFFAOYSA-N 0 0 244.338 3.609 20 0 BHADRN CC[C@@H](C)C(=O)N(CC(C)(C)C)c1ccccn1 ZINC000891501767 582693689 /nfs/dbraw/zinc/69/36/89/582693689.db2.gz KDCGDCHYUKWQBU-GFCCVEGCSA-N 0 0 248.370 3.507 20 0 BHADRN CC[C@H](C)C(=O)N(CC(C)(C)C)c1ccccn1 ZINC000891501768 582693583 /nfs/dbraw/zinc/69/35/83/582693583.db2.gz KDCGDCHYUKWQBU-LBPRGKRZSA-N 0 0 248.370 3.507 20 0 BHADRN CC(C)CC(=O)N(CC(C)(C)C)c1ccccn1 ZINC000891503343 582693230 /nfs/dbraw/zinc/69/32/30/582693230.db2.gz DPGAHASRNQAPIM-UHFFFAOYSA-N 0 0 248.370 3.507 20 0 BHADRN CCCCC(=O)N(CC(C)(C)C)c1ccccn1 ZINC000891504599 582693585 /nfs/dbraw/zinc/69/35/85/582693585.db2.gz RMRGYUGDBSXTJL-UHFFFAOYSA-N 0 0 248.370 3.651 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1Nc1cccc([C@@H](C)O)n1 ZINC000891792827 582721732 /nfs/dbraw/zinc/72/17/32/582721732.db2.gz FWXPUZMXWBOANR-BZPMIXESSA-N 0 0 248.370 3.516 20 0 BHADRN CC[C@@H]1CCCC[C@H]1Nc1cccc([C@H](C)O)n1 ZINC000891792828 582722434 /nfs/dbraw/zinc/72/24/34/582722434.db2.gz FWXPUZMXWBOANR-OUCADQQQSA-N 0 0 248.370 3.516 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1Nc1cccc([C@H](C)O)n1 ZINC000891792829 582721809 /nfs/dbraw/zinc/72/18/09/582721809.db2.gz FWXPUZMXWBOANR-SCRDCRAPSA-N 0 0 248.370 3.516 20 0 BHADRN CC[C@@H]1CCCC[C@H]1Nc1cccc([C@@H](C)O)n1 ZINC000891792830 582722296 /nfs/dbraw/zinc/72/22/96/582722296.db2.gz FWXPUZMXWBOANR-YRGRVCCFSA-N 0 0 248.370 3.516 20 0 BHADRN Cc1cccc(OC(=O)/C=C\c2ccco2)c1C ZINC000891831300 582728531 /nfs/dbraw/zinc/72/85/31/582728531.db2.gz RUWWOMABECDRFD-HJWRWDBZSA-N 0 0 242.274 3.515 20 0 BHADRN CCCCC[C@@H](C)Nc1cccc([C@H](C)O)n1 ZINC000891993671 582756258 /nfs/dbraw/zinc/75/62/58/582756258.db2.gz WFACSFAHHYNBAT-NEPJUHHUSA-N 0 0 236.359 3.516 20 0 BHADRN CCCCC[C@H](C)Nc1cccc([C@@H](C)O)n1 ZINC000891993672 582755968 /nfs/dbraw/zinc/75/59/68/582755968.db2.gz WFACSFAHHYNBAT-NWDGAFQWSA-N 0 0 236.359 3.516 20 0 BHADRN CCCCC[C@H](C)Nc1cccc([C@H](C)O)n1 ZINC000891993673 582756279 /nfs/dbraw/zinc/75/62/79/582756279.db2.gz WFACSFAHHYNBAT-RYUDHWBXSA-N 0 0 236.359 3.516 20 0 BHADRN CCCCC[C@@H](C)Nc1cccc([C@@H](C)O)n1 ZINC000891993674 582755942 /nfs/dbraw/zinc/75/59/42/582755942.db2.gz WFACSFAHHYNBAT-VXGBXAGGSA-N 0 0 236.359 3.516 20 0 BHADRN C[N@H+](Cc1ccc(C(F)F)c(F)c1)C1CCC1 ZINC000892059012 582778975 /nfs/dbraw/zinc/77/89/75/582778975.db2.gz RMXVDPZEXJEAOH-UHFFFAOYSA-N 0 0 243.272 3.748 20 0 BHADRN CC(C)CC(=O)Oc1cccc(C(C)(C)C)c1 ZINC000892231699 582810637 /nfs/dbraw/zinc/81/06/37/582810637.db2.gz DCLSAOXEUHNNFD-UHFFFAOYSA-N 0 0 234.339 3.936 20 0 BHADRN CC(C)C(=O)Oc1cccc(C(C)(C)C)c1 ZINC000892234452 582810891 /nfs/dbraw/zinc/81/08/91/582810891.db2.gz MHAPWPGBIFOZMC-UHFFFAOYSA-N 0 0 220.312 3.546 20 0 BHADRN CC(C)(C)c1cccc(OC(=O)c2ccco2)c1 ZINC000892235569 582810889 /nfs/dbraw/zinc/81/08/89/582810889.db2.gz WKVZJZYTOLHECE-UHFFFAOYSA-N 0 0 244.290 3.796 20 0 BHADRN CC(C)(C)C(=O)Oc1cccc(C(C)(C)C)c1 ZINC000892235607 582810831 /nfs/dbraw/zinc/81/08/31/582810831.db2.gz XNYAPIKEORPCNO-UHFFFAOYSA-N 0 0 234.339 3.936 20 0 BHADRN CCCC(=O)Oc1cccc(C(C)(C)C)c1 ZINC000892235692 582810595 /nfs/dbraw/zinc/81/05/95/582810595.db2.gz ZUAGYCDZZNRLRW-UHFFFAOYSA-N 0 0 220.312 3.690 20 0 BHADRN CC(C)(C)c1cccc(OC(=O)C2CCC2)c1 ZINC000892236116 582810912 /nfs/dbraw/zinc/81/09/12/582810912.db2.gz BYXVVPLUOPPROW-UHFFFAOYSA-N 0 0 232.323 3.690 20 0 BHADRN C[C@H]1C[C@H]1C(=O)Oc1cccc(C(C)(C)C)c1 ZINC000892243194 582812828 /nfs/dbraw/zinc/81/28/28/582812828.db2.gz XBCGONZDQSZBTC-GXFFZTMASA-N 0 0 232.323 3.546 20 0 BHADRN C[C@@H]1C[C@@H]1C(=O)Oc1cccc(C(C)(C)C)c1 ZINC000892243195 582812166 /nfs/dbraw/zinc/81/21/66/582812166.db2.gz XBCGONZDQSZBTC-MFKMUULPSA-N 0 0 232.323 3.546 20 0 BHADRN CCC(CC)Sc1cc(C(F)F)ncn1 ZINC000892244119 582812919 /nfs/dbraw/zinc/81/29/19/582812919.db2.gz FTYZXFXKFFXOMD-UHFFFAOYSA-N 0 0 232.299 3.695 20 0 BHADRN COc1ccc(CNc2cccc(C)c2C)o1 ZINC000892250379 582813466 /nfs/dbraw/zinc/81/34/66/582813466.db2.gz GNYLNXCQAACPTP-UHFFFAOYSA-N 0 0 231.295 3.517 20 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20 0 BHADRN CC(C)CC(=O)N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000894302954 583416194 /nfs/dbraw/zinc/41/61/94/583416194.db2.gz ZVGSHZQGIUIAJQ-CJNGLKHVSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)CC(=O)N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000894302956 583416101 /nfs/dbraw/zinc/41/61/01/583416101.db2.gz ZVGSHZQGIUIAJQ-CZUORRHYSA-N 0 0 245.366 3.642 20 0 BHADRN CC(C)CC(=O)N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000894302958 583416323 /nfs/dbraw/zinc/41/63/23/583416323.db2.gz ZVGSHZQGIUIAJQ-XJKSGUPXSA-N 0 0 245.366 3.642 20 0 BHADRN C/C=C(\C)C(=O)N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000894304470 583416686 /nfs/dbraw/zinc/41/66/86/583416686.db2.gz QHICMQGAMPFHHX-CSWBEUBGSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(/C)C(=O)N1CC[C@H](C)[C@H]1c1ccccc1 ZINC000894304471 583416687 /nfs/dbraw/zinc/41/66/87/583416687.db2.gz QHICMQGAMPFHHX-KVHOULDSSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(/C)C(=O)N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000894304472 583416663 /nfs/dbraw/zinc/41/66/63/583416663.db2.gz QHICMQGAMPFHHX-UPXGABPLSA-N 0 0 243.350 3.562 20 0 BHADRN C/C=C(\C)C(=O)N1CC[C@H](C)[C@H]1c1ccccc1 ZINC000894304473 583416631 /nfs/dbraw/zinc/41/66/31/583416631.db2.gz QHICMQGAMPFHHX-WNCBDUDASA-N 0 0 243.350 3.562 20 0 BHADRN CCc1ccc(NCc2ocnc2C)cc1CC ZINC000894372754 583441171 /nfs/dbraw/zinc/44/11/71/583441171.db2.gz OQSVFTVRBSLBCI-UHFFFAOYSA-N 0 0 244.338 3.720 20 0 BHADRN Cc1ncoc1CN(C)c1ccc(C(C)C)cc1 ZINC000894429576 583456754 /nfs/dbraw/zinc/45/67/54/583456754.db2.gz LCBZBPLNLYMSGZ-UHFFFAOYSA-N 0 0 244.338 3.743 20 0 BHADRN CCC(C)(C)C(=O)Oc1ccc2cnccc2c1 ZINC000894444848 583460506 /nfs/dbraw/zinc/46/05/06/583460506.db2.gz IZIPOAQIGLDBQE-UHFFFAOYSA-N 0 0 243.306 3.576 20 0 BHADRN Cc1ncoc1CN(C)c1cccc(C(C)C)c1 ZINC000894461148 583467335 /nfs/dbraw/zinc/46/73/35/583467335.db2.gz AYYCJOMTEICCLT-UHFFFAOYSA-N 0 0 244.338 3.743 20 0 BHADRN FC1(F)CC12CCC(Nc1nccs1)CC2 ZINC000894581256 583488700 /nfs/dbraw/zinc/48/87/00/583488700.db2.gz MYOCXRRTRSKGAY-UHFFFAOYSA-N 0 0 244.310 3.523 20 0 BHADRN Cc1ncoc1CNc1ccc(C2CCC2)cc1 ZINC000894587137 583490667 /nfs/dbraw/zinc/49/06/67/583490667.db2.gz RGOKBBHSKGZNOY-UHFFFAOYSA-N 0 0 242.322 3.863 20 0 BHADRN CCC(C)(C)c1ccc(NCc2c[nH]cn2)cc1 ZINC000894595633 583493282 /nfs/dbraw/zinc/49/32/82/583493282.db2.gz JAYATXAPAQOASZ-UHFFFAOYSA-N 0 0 243.354 3.709 20 0 BHADRN CC(C)(CNc1nccs1)CC(F)(F)F ZINC000894659283 583504681 /nfs/dbraw/zinc/50/46/81/583504681.db2.gz QDGBDCWVQWAIHF-UHFFFAOYSA-N 0 0 238.278 3.534 20 0 BHADRN Cc1ncoc1CNc1cccc(C2CCC2)c1 ZINC000894814098 583524353 /nfs/dbraw/zinc/52/43/53/583524353.db2.gz UAJSPPWCQIJDOM-UHFFFAOYSA-N 0 0 242.322 3.863 20 0 BHADRN CSc1cc(C)ccc1NCc1ocnc1C ZINC000894990452 583564064 /nfs/dbraw/zinc/56/40/64/583564064.db2.gz HJUYQUOOBFCLHX-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN CC(C)(C)c1ccc(CNc2nccs2)o1 ZINC000895021903 583569965 /nfs/dbraw/zinc/56/99/65/583569965.db2.gz QHWXWJUJGSGOPD-UHFFFAOYSA-N 0 0 236.340 3.646 20 0 BHADRN C[C@@]1(c2ccccc2)CCCN1c1nccs1 ZINC000895147116 583605138 /nfs/dbraw/zinc/60/51/38/583605138.db2.gz NRFZDORJRPBAQY-AWEZNQCLSA-N 0 0 244.363 3.659 20 0 BHADRN C[C@]1(c2ccccc2)CCCN1c1nccs1 ZINC000895147117 583605002 /nfs/dbraw/zinc/60/50/02/583605002.db2.gz NRFZDORJRPBAQY-CQSZACIVSA-N 0 0 244.363 3.659 20 0 BHADRN CSc1cc(NCc2ocnc2C)ccc1C ZINC000895149960 583605943 /nfs/dbraw/zinc/60/59/43/583605943.db2.gz DSYXVILTFJUQFR-UHFFFAOYSA-N 0 0 248.351 3.625 20 0 BHADRN CC[C@H]1CC[C@@H]1Nc1ccc2oc(CO)cc2c1 ZINC000895167866 583611666 /nfs/dbraw/zinc/61/16/66/583611666.db2.gz CYFPIWFTSHELKZ-HZMBPMFUSA-N 0 0 245.322 3.526 20 0 BHADRN CC[C@H]1CC[C@H]1Nc1ccc2oc(CO)cc2c1 ZINC000895167867 583611768 /nfs/dbraw/zinc/61/17/68/583611768.db2.gz CYFPIWFTSHELKZ-IINYFYTJSA-N 0 0 245.322 3.526 20 0 BHADRN CC[C@@H]1CC[C@H]1Nc1ccc2oc(CO)cc2c1 ZINC000895167868 583611642 /nfs/dbraw/zinc/61/16/42/583611642.db2.gz CYFPIWFTSHELKZ-QMTHXVAHSA-N 0 0 245.322 3.526 20 0 BHADRN CC[C@@H]1CC[C@@H]1Nc1ccc2oc(CO)cc2c1 ZINC000895167869 583611657 /nfs/dbraw/zinc/61/16/57/583611657.db2.gz CYFPIWFTSHELKZ-YGRLFVJLSA-N 0 0 245.322 3.526 20 0 BHADRN CC1(C)CC(Nc2ccc3oc(CO)cc3c2)C1 ZINC000895168014 583611766 /nfs/dbraw/zinc/61/17/66/583611766.db2.gz DXMWPPVMVKFKOK-UHFFFAOYSA-N 0 0 245.322 3.526 20 0 BHADRN C[C@H](Nc1ccc2oc(CO)cc2c1)C1CCC1 ZINC000895168608 711778942 /nfs/dbraw/zinc/77/89/42/711778942.db2.gz KVEXQAWIKOMUPW-JTQLQIEISA-N 0 0 245.322 3.526 20 0 BHADRN C[C@@H](Nc1ccc2oc(CO)cc2c1)C1CCC1 ZINC000895168609 711779050 /nfs/dbraw/zinc/77/90/50/711779050.db2.gz KVEXQAWIKOMUPW-SNVBAGLBSA-N 0 0 245.322 3.526 20 0 BHADRN F[C@@H]1CCc2ccccc2[C@@H]1Nc1nccs1 ZINC000895168743 711778778 /nfs/dbraw/zinc/77/87/78/711778778.db2.gz BSTXPWRSWVPQOW-NEPJUHHUSA-N 0 0 248.326 3.581 20 0 BHADRN F[C@H]1CCc2ccccc2[C@H]1Nc1nccs1 ZINC000895168744 711778964 /nfs/dbraw/zinc/77/89/64/711778964.db2.gz BSTXPWRSWVPQOW-NWDGAFQWSA-N 0 0 248.326 3.581 20 0 BHADRN F[C@H]1CCc2ccccc2[C@@H]1Nc1nccs1 ZINC000895168745 711779044 /nfs/dbraw/zinc/77/90/44/711779044.db2.gz BSTXPWRSWVPQOW-RYUDHWBXSA-N 0 0 248.326 3.581 20 0 BHADRN F[C@@H]1CCc2ccccc2[C@H]1Nc1nccs1 ZINC000895168746 711778750 /nfs/dbraw/zinc/77/87/50/711778750.db2.gz BSTXPWRSWVPQOW-VXGBXAGGSA-N 0 0 248.326 3.581 20 0 BHADRN c1csc(N2C[C@@H]3CC[C@H]2c2ccccc23)n1 ZINC000895169613 583611917 /nfs/dbraw/zinc/61/19/17/583611917.db2.gz KBOJQBNSQVSATO-GWCFXTLKSA-N 0 0 242.347 3.582 20 0 BHADRN CC[C@@H](C)[C@@H](C)Nc1ccc2oc(CO)cc2c1 ZINC000895169725 583611925 /nfs/dbraw/zinc/61/19/25/583611925.db2.gz PVBVFWZOOXGAGA-GHMZBOCLSA-N 0 0 247.338 3.772 20 0 BHADRN CC[C@@H](C)[C@H](C)Nc1ccc2oc(CO)cc2c1 ZINC000895169728 583611895 /nfs/dbraw/zinc/61/18/95/583611895.db2.gz PVBVFWZOOXGAGA-MNOVXSKESA-N 0 0 247.338 3.772 20 0 BHADRN CC[C@H](C)[C@H](C)Nc1ccc2oc(CO)cc2c1 ZINC000895169731 583612059 /nfs/dbraw/zinc/61/20/59/583612059.db2.gz PVBVFWZOOXGAGA-QWRGUYRKSA-N 0 0 247.338 3.772 20 0 BHADRN CC[C@H](C)[C@@H](C)Nc1ccc2oc(CO)cc2c1 ZINC000895169733 583611948 /nfs/dbraw/zinc/61/19/48/583611948.db2.gz PVBVFWZOOXGAGA-WDEREUQCSA-N 0 0 247.338 3.772 20 0 BHADRN CCC(CC)Nc1ccc2oc(CO)cc2c1 ZINC000895169996 583612294 /nfs/dbraw/zinc/61/22/94/583612294.db2.gz QTZAGNOOHVHTBH-UHFFFAOYSA-N 0 0 233.311 3.526 20 0 BHADRN CC[C@H](Nc1ccc2oc(CO)cc2c1)C(C)C ZINC000895170462 583612147 /nfs/dbraw/zinc/61/21/47/583612147.db2.gz UBMLDNTUNYGZJD-AWEZNQCLSA-N 0 0 247.338 3.772 20 0 BHADRN CC[C@@H](Nc1ccc2oc(CO)cc2c1)C(C)C ZINC000895170463 583612145 /nfs/dbraw/zinc/61/21/45/583612145.db2.gz UBMLDNTUNYGZJD-CQSZACIVSA-N 0 0 247.338 3.772 20 0 BHADRN CC[C@H](Nc1ccc2oc(CO)cc2c1)C1CC1 ZINC000895171866 583612679 /nfs/dbraw/zinc/61/26/79/583612679.db2.gz PXZANGAWOBPBJW-AWEZNQCLSA-N 0 0 245.322 3.526 20 0 BHADRN CC[C@@H](Nc1ccc2oc(CO)cc2c1)C1CC1 ZINC000895171867 583612511 /nfs/dbraw/zinc/61/25/11/583612511.db2.gz PXZANGAWOBPBJW-CQSZACIVSA-N 0 0 245.322 3.526 20 0 BHADRN Cc1ncoc1CNc1ccc(Cl)c(C)c1 ZINC000895190451 583621401 /nfs/dbraw/zinc/62/14/01/583621401.db2.gz PHGCVPOPRIHRER-UHFFFAOYSA-N 0 0 236.702 3.557 20 0 BHADRN O=C(NC1CCC=CCC1)c1ccccc1Cl ZINC000895205475 583625575 /nfs/dbraw/zinc/62/55/75/583625575.db2.gz QKKIYOKAGGQDAX-UHFFFAOYSA-N 0 0 249.741 3.569 20 0 BHADRN CCC[N@H+](Cc1nc(C(C)(C)C)co1)C(C)C ZINC000895206238 583625636 /nfs/dbraw/zinc/62/56/36/583625636.db2.gz WPUNDVGYHPUMMS-UHFFFAOYSA-N 0 0 238.375 3.593 20 0 BHADRN Cc1cc(C(=O)NC2CCC=CCC2)c(C)s1 ZINC000895208925 583625946 /nfs/dbraw/zinc/62/59/46/583625946.db2.gz QHRASATXDZNEBK-UHFFFAOYSA-N 0 0 249.379 3.594 20 0 BHADRN C[C@H]1CCN(c2nccs2)[C@@H]1c1ccccc1 ZINC000895209726 583626292 /nfs/dbraw/zinc/62/62/92/583626292.db2.gz ZPUHDDUGEDGJFN-AAEUAGOBSA-N 0 0 244.363 3.731 20 0 BHADRN C[C@@H]1CCN(c2nccs2)[C@H]1c1ccccc1 ZINC000895209727 583626059 /nfs/dbraw/zinc/62/60/59/583626059.db2.gz ZPUHDDUGEDGJFN-DGCLKSJQSA-N 0 0 244.363 3.731 20 0 BHADRN C[C@H]1CCN(c2nccs2)[C@H]1c1ccccc1 ZINC000895209728 583626100 /nfs/dbraw/zinc/62/61/00/583626100.db2.gz ZPUHDDUGEDGJFN-WCQYABFASA-N 0 0 244.363 3.731 20 0 BHADRN C[C@@H]1CCN(c2nccs2)[C@@H]1c1ccccc1 ZINC000895209729 583626088 /nfs/dbraw/zinc/62/60/88/583626088.db2.gz ZPUHDDUGEDGJFN-YPMHNXCESA-N 0 0 244.363 3.731 20 0 BHADRN CCc1ccsc1C(=O)NC1CCC=CCC1 ZINC000895211716 583626123 /nfs/dbraw/zinc/62/61/23/583626123.db2.gz LUXHVMDHSCEJAO-UHFFFAOYSA-N 0 0 249.379 3.539 20 0 BHADRN Cc1scc(C(=O)NC2CCC=CCC2)c1C ZINC000895212489 583626501 /nfs/dbraw/zinc/62/65/01/583626501.db2.gz CNASUDPKGFALPX-UHFFFAOYSA-N 0 0 249.379 3.594 20 0 BHADRN O=C(NC1CCC=CCC1)C1(C2CCC2)CCC1 ZINC000895212964 583627691 /nfs/dbraw/zinc/62/76/91/583627691.db2.gz ACNFQAWOCHZSEQ-UHFFFAOYSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(NC1CCC=CCC1)[C@@H]1CCCC2(CC2)C1 ZINC000895213240 583628342 /nfs/dbraw/zinc/62/83/42/583628342.db2.gz HTKQJIREAIYJGK-CYBMUJFWSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(NC1CCC=CCC1)[C@H]1CCCC2(CC2)C1 ZINC000895213241 583628441 /nfs/dbraw/zinc/62/84/41/583628441.db2.gz HTKQJIREAIYJGK-ZDUSSCGKSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(NC1CCC=CCC1)C1CCC2(CC2)CC1 ZINC000895213964 583628383 /nfs/dbraw/zinc/62/83/83/583628383.db2.gz VJTHIVFXAHLJQL-UHFFFAOYSA-N 0 0 247.382 3.572 20 0 BHADRN CC(C)c1ccoc1C(=O)NC1CCC=CCC1 ZINC000895215759 583627459 /nfs/dbraw/zinc/62/74/59/583627459.db2.gz CPACOSNMMALDAM-UHFFFAOYSA-N 0 0 247.338 3.632 20 0 BHADRN Cc1cccc(C)c1C(=O)NC1CCC=CCC1 ZINC000895216520 583627636 /nfs/dbraw/zinc/62/76/36/583627636.db2.gz ZIJQFBOGXDAPOK-UHFFFAOYSA-N 0 0 243.350 3.532 20 0 BHADRN CC(C)c1occc1C(=O)NC1CCC=CCC1 ZINC000895217601 583627778 /nfs/dbraw/zinc/62/77/78/583627778.db2.gz XLXIAWDPTWKIFZ-UHFFFAOYSA-N 0 0 247.338 3.632 20 0 BHADRN Cc1cc(C)c(C(=O)NC2CCC=CCC2)s1 ZINC000895223800 636123146 /nfs/dbraw/zinc/12/31/46/636123146.db2.gz WESZANKRYLQSGL-UHFFFAOYSA-N 0 0 249.379 3.594 20 0 BHADRN CN(CCCF)C(=O)CCCC1CCCCC1 ZINC000895282408 583636162 /nfs/dbraw/zinc/63/61/62/583636162.db2.gz JVFMNQFWXPTXJK-UHFFFAOYSA-N 0 0 243.366 3.555 20 0 BHADRN CC(C)CC(CC(C)C)C(=O)N(C)CCCF ZINC000895299548 583640400 /nfs/dbraw/zinc/64/04/00/583640400.db2.gz DSZHXAKCYQSGNC-UHFFFAOYSA-N 0 0 245.382 3.513 20 0 BHADRN CC(C)=CCC[C@@H](C)CC(=O)N(C)CCCF ZINC000895303291 583645073 /nfs/dbraw/zinc/64/50/73/583645073.db2.gz AIOJTRRNXLIOLD-CYBMUJFWSA-N 0 0 243.366 3.577 20 0 BHADRN CC(C)=CCC[C@H](C)CC(=O)N(C)CCCF ZINC000895303292 583644862 /nfs/dbraw/zinc/64/48/62/583644862.db2.gz AIOJTRRNXLIOLD-ZDUSSCGKSA-N 0 0 243.366 3.577 20 0 BHADRN CN(CCCF)C(=O)CCC1CCCCCC1 ZINC000895305086 583643199 /nfs/dbraw/zinc/64/31/99/583643199.db2.gz PKAYXKCPKNIGJF-UHFFFAOYSA-N 0 0 243.366 3.555 20 0 BHADRN Fc1cc(C[NH2+][C@H]2C=CCC2)ccc1C(F)F ZINC000895337125 583653731 /nfs/dbraw/zinc/65/37/31/583653731.db2.gz GCEMWGKXBNBUOV-JTQLQIEISA-N 0 0 241.256 3.572 20 0 BHADRN Fc1cc(C[NH2+][C@@H]2C=CCC2)ccc1C(F)F ZINC000895337126 583653993 /nfs/dbraw/zinc/65/39/93/583653993.db2.gz GCEMWGKXBNBUOV-SNVBAGLBSA-N 0 0 241.256 3.572 20 0 BHADRN CC1=C(C)C[C@H](C(=O)NC2(C3CC3)CCC2)CC1 ZINC000895356730 583658805 /nfs/dbraw/zinc/65/88/05/583658805.db2.gz ABTBQOBIWHDEHN-CYBMUJFWSA-N 0 0 247.382 3.572 20 0 BHADRN CC1=C(C)C[C@@H](C(=O)NC2(C3CC3)CCC2)CC1 ZINC000895356731 583658877 /nfs/dbraw/zinc/65/88/77/583658877.db2.gz ABTBQOBIWHDEHN-ZDUSSCGKSA-N 0 0 247.382 3.572 20 0 BHADRN CC(C)(C)C1CC(C(=O)NC2(C3CC3)CCC2)C1 ZINC000895358125 583658297 /nfs/dbraw/zinc/65/82/97/583658297.db2.gz ULIRUTCWOLTQRB-UHFFFAOYSA-N 0 0 249.398 3.508 20 0 BHADRN CC[C@@H](C)c1cccc(NCc2c[nH]cn2)c1 ZINC000895388192 583663542 /nfs/dbraw/zinc/66/35/42/583663542.db2.gz HVJBALGOEHUHFY-LLVKDONJSA-N 0 0 229.327 3.535 20 0 BHADRN CC[C@H](C)c1cccc(NCc2c[nH]cn2)c1 ZINC000895388204 583663538 /nfs/dbraw/zinc/66/35/38/583663538.db2.gz HVJBALGOEHUHFY-NSHDSACASA-N 0 0 229.327 3.535 20 0 BHADRN CC(C)c1cc(Cl)ccc1NCc1c[nH]cn1 ZINC000895394396 583664780 /nfs/dbraw/zinc/66/47/80/583664780.db2.gz ZVKODZKLBJKOOP-UHFFFAOYSA-N 0 0 249.745 3.799 20 0 BHADRN Cc1cnc(NCCC2(c3ccccc3)CC2)o1 ZINC000895437755 636142370 /nfs/dbraw/zinc/14/23/70/636142370.db2.gz YLHOODIPSURLHH-UHFFFAOYSA-N 0 0 242.322 3.517 20 0 BHADRN Cc1ncoc1CNc1ccc(C2CC2)cc1F ZINC000895462127 583678157 /nfs/dbraw/zinc/67/81/57/583678157.db2.gz KCGDRFRKJRDSQQ-UHFFFAOYSA-N 0 0 246.285 3.612 20 0 BHADRN c1nc2c(n1C1CC3(C1)CCCC3)CCCC2 ZINC000895541190 583687728 /nfs/dbraw/zinc/68/77/28/583687728.db2.gz KCBOUPPIWCGBOG-UHFFFAOYSA-N 0 0 230.355 3.657 20 0 BHADRN c1nc2c(n1[C@@H]1C[C@H]3CCC[C@H]3C1)CCCC2 ZINC000895541634 583688843 /nfs/dbraw/zinc/68/88/43/583688843.db2.gz OYDBGDVECSUJMW-CLLJXQQHSA-N 0 0 230.355 3.513 20 0 BHADRN c1nc2c(n1C1C[C@@H]3CCC[C@H]3C1)CCCC2 ZINC000895541637 583688305 /nfs/dbraw/zinc/68/83/05/583688305.db2.gz OYDBGDVECSUJMW-RYUDHWBXSA-N 0 0 230.355 3.513 20 0 BHADRN c1nc2c(n1C1C[C@H]3CCC[C@@H]3C1)CCCC2 ZINC000895541890 583688598 /nfs/dbraw/zinc/68/85/98/583688598.db2.gz OYDBGDVECSUJMW-VXGBXAGGSA-N 0 0 230.355 3.513 20 0 BHADRN CC(C)(C)c1ccc(NCc2ccon2)cc1F ZINC000895629749 583698393 /nfs/dbraw/zinc/69/83/93/583698393.db2.gz OJCFJIIRVIQXCB-UHFFFAOYSA-N 0 0 248.301 3.723 20 0 BHADRN Cc1cc(N[C@@H](C)C2CC(F)(F)C2)cnc1C ZINC000895644446 636170909 /nfs/dbraw/zinc/17/09/09/636170909.db2.gz AKHWSWZJEAOZKD-JTQLQIEISA-N 0 0 240.297 3.544 20 0 BHADRN Cc1cc(N[C@H](C)C2CC(F)(F)C2)cnc1C ZINC000895644447 636171429 /nfs/dbraw/zinc/17/14/29/636171429.db2.gz AKHWSWZJEAOZKD-SNVBAGLBSA-N 0 0 240.297 3.544 20 0 BHADRN CCCC[C@H](CCC)[NH2+][C@H](C)c1ncco1 ZINC000895763216 583722849 /nfs/dbraw/zinc/72/28/49/583722849.db2.gz AARNNFUOLQSKIO-NEPJUHHUSA-N 0 0 224.348 3.684 20 0 BHADRN CCCC[C@@H](CCC)[NH2+][C@@H](C)c1ncco1 ZINC000895763217 583722379 /nfs/dbraw/zinc/72/23/79/583722379.db2.gz AARNNFUOLQSKIO-NWDGAFQWSA-N 0 0 224.348 3.684 20 0 BHADRN CCCC[C@H](CCC)[NH2+][C@@H](C)c1ncco1 ZINC000895763218 583722275 /nfs/dbraw/zinc/72/22/75/583722275.db2.gz AARNNFUOLQSKIO-RYUDHWBXSA-N 0 0 224.348 3.684 20 0 BHADRN CCCC[C@@H](CCC)[NH2+][C@H](C)c1ncco1 ZINC000895763219 583722683 /nfs/dbraw/zinc/72/26/83/583722683.db2.gz AARNNFUOLQSKIO-VXGBXAGGSA-N 0 0 224.348 3.684 20 0 BHADRN COc1cccc(N[C@@H]2CC=C(C)CC2)c1OC ZINC000895773371 583726165 /nfs/dbraw/zinc/72/61/65/583726165.db2.gz AENGCASAHBMIFA-GFCCVEGCSA-N 0 0 247.338 3.615 20 0 BHADRN COc1cccc(N[C@H]2CC=C(C)CC2)c1OC ZINC000895773372 583725940 /nfs/dbraw/zinc/72/59/40/583725940.db2.gz AENGCASAHBMIFA-LBPRGKRZSA-N 0 0 247.338 3.615 20 0 BHADRN CC1(C)CN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000895826526 583733179 /nfs/dbraw/zinc/73/31/79/583733179.db2.gz XTQXZQMTLAHHOT-UHFFFAOYSA-N 0 0 243.272 3.605 20 0 BHADRN C[C@@H](Nc1cncc(Cl)c1)C1CC(F)(F)C1 ZINC000895874053 636179678 /nfs/dbraw/zinc/17/96/78/636179678.db2.gz DXYDRAPRQAPLFN-SSDOTTSWSA-N 0 0 246.688 3.581 20 0 BHADRN C[C@H](Nc1cncc(Cl)c1)C1CC(F)(F)C1 ZINC000895874055 636178445 /nfs/dbraw/zinc/17/84/45/636178445.db2.gz DXYDRAPRQAPLFN-ZETCQYMHSA-N 0 0 246.688 3.581 20 0 BHADRN CCCC[C@@H](CC)Nc1ccc2c(c1)NC(=O)C2 ZINC000895901273 583741584 /nfs/dbraw/zinc/74/15/84/583741584.db2.gz FZHKETWTMMOQBP-GFCCVEGCSA-N 0 0 246.354 3.562 20 0 BHADRN CCCC[C@H](CC)Nc1ccc2c(c1)NC(=O)C2 ZINC000895901274 583741645 /nfs/dbraw/zinc/74/16/45/583741645.db2.gz FZHKETWTMMOQBP-LBPRGKRZSA-N 0 0 246.354 3.562 20 0 BHADRN CCCC(CCC)Nc1ccc2c(c1)NC(=O)C2 ZINC000895902534 583742157 /nfs/dbraw/zinc/74/21/57/583742157.db2.gz LXCBHCHNUXKERS-UHFFFAOYSA-N 0 0 246.354 3.562 20 0 BHADRN CCCCC[C@@H](C)Nc1ccc2c(c1)NC(=O)C2 ZINC000895903495 583742049 /nfs/dbraw/zinc/74/20/49/583742049.db2.gz VPXHMDYOYIXQCT-LLVKDONJSA-N 0 0 246.354 3.562 20 0 BHADRN CCCCC[C@H](C)Nc1ccc2c(c1)NC(=O)C2 ZINC000895903497 583742202 /nfs/dbraw/zinc/74/22/02/583742202.db2.gz VPXHMDYOYIXQCT-NSHDSACASA-N 0 0 246.354 3.562 20 0 BHADRN CC(C)c1noc(-c2cscc2C(F)F)n1 ZINC000895951602 583751593 /nfs/dbraw/zinc/75/15/93/583751593.db2.gz DFXLYCLTAWGXTH-UHFFFAOYSA-N 0 0 244.266 3.859 20 0 BHADRN CC(C)c1noc([C@@H]2C[C@]2(C)c2ccccc2)n1 ZINC000895953681 583752116 /nfs/dbraw/zinc/75/21/16/583752116.db2.gz PCZDXWPCSUMDFK-SWLSCSKDSA-N 0 0 242.322 3.638 20 0 BHADRN Cc1ccc(-c2nc(C(C)C)no2)c(C(C)C)n1 ZINC000895954275 583752234 /nfs/dbraw/zinc/75/22/34/583752234.db2.gz XBDHVFWVQGBLTN-UHFFFAOYSA-N 0 0 245.326 3.687 20 0 BHADRN FC(F)c1cscc1-c1nc(C2CC2)no1 ZINC000895984970 583759174 /nfs/dbraw/zinc/75/91/74/583759174.db2.gz DDFFTMKNWAAXMZ-UHFFFAOYSA-N 0 0 242.250 3.613 20 0 BHADRN c1ccc(CCCCc2nc(C3CC3)no2)cc1 ZINC000895985807 583759164 /nfs/dbraw/zinc/75/91/64/583759164.db2.gz KITBCFZDMMNBCN-UHFFFAOYSA-N 0 0 242.322 3.512 20 0 BHADRN CC(C)c1ccccc1-c1nc(C2CC2)no1 ZINC000895985859 583759196 /nfs/dbraw/zinc/75/91/96/583759196.db2.gz LIXOLGVYYKBDIM-UHFFFAOYSA-N 0 0 228.295 3.737 20 0 BHADRN Cc1cnc(N[C@H](C)c2ccc(F)cc2C)o1 ZINC000896002381 583760469 /nfs/dbraw/zinc/76/04/69/583760469.db2.gz MFSDGRQZBPKWOB-SNVBAGLBSA-N 0 0 234.274 3.604 20 0 BHADRN Cc1cnc(N[C@@H](C)c2ccc(F)cc2C)o1 ZINC000896002806 583760408 /nfs/dbraw/zinc/76/04/08/583760408.db2.gz MFSDGRQZBPKWOB-JTQLQIEISA-N 0 0 234.274 3.604 20 0 BHADRN Cc1cc(F)ccc1[C@@H](C)Nc1nccs1 ZINC000896003580 583762414 /nfs/dbraw/zinc/76/24/14/583762414.db2.gz ZFYRHMVJCZONPG-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN COc1ccc([C@H](C)Nc2nccs2)cc1C ZINC000896003659 583762170 /nfs/dbraw/zinc/76/21/70/583762170.db2.gz JTIBRINQHGCUPC-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN CC(C)(Cc1nc(C2CCC2)no1)CC(F)F ZINC000896018021 583763299 /nfs/dbraw/zinc/76/32/99/583763299.db2.gz VNPFBUMAYKSJPG-UHFFFAOYSA-N 0 0 244.285 3.561 20 0 BHADRN CCC[C@H](C)c1noc(-c2ncccc2CC)n1 ZINC000896058415 583767387 /nfs/dbraw/zinc/76/73/87/583767387.db2.gz SHMBDCFSLJGDBF-JTQLQIEISA-N 0 0 245.326 3.598 20 0 BHADRN CCC[C@@H](C)c1noc(-c2ncccc2CC)n1 ZINC000896058417 583767391 /nfs/dbraw/zinc/76/73/91/583767391.db2.gz SHMBDCFSLJGDBF-SNVBAGLBSA-N 0 0 245.326 3.598 20 0 BHADRN CCC[C@@H](C)c1noc(-c2cnc(C3CC3)o2)n1 ZINC000896058505 583767487 /nfs/dbraw/zinc/76/74/87/583767487.db2.gz UENWHXDRKNHBIJ-MRVPVSSYSA-N 0 0 247.298 3.506 20 0 BHADRN CCC[C@H](C)c1noc(-c2cnc(C3CC3)o2)n1 ZINC000896058506 583767272 /nfs/dbraw/zinc/76/72/72/583767272.db2.gz UENWHXDRKNHBIJ-QMMMGPOBSA-N 0 0 247.298 3.506 20 0 BHADRN CCC(CC)c1noc(-c2cnc(C3CC3)o2)n1 ZINC000896082311 583769631 /nfs/dbraw/zinc/76/96/31/583769631.db2.gz MYXLMVKOBYERPN-UHFFFAOYSA-N 0 0 247.298 3.506 20 0 BHADRN CCc1cccnc1-c1nc(C(CC)CC)no1 ZINC000896082739 583769992 /nfs/dbraw/zinc/76/99/92/583769992.db2.gz RHUYTFSAJJINIO-UHFFFAOYSA-N 0 0 245.326 3.598 20 0 BHADRN Cc1ccc(-c2nc([C@H](C)C(C)(C)C)no2)nc1 ZINC000896104700 583771945 /nfs/dbraw/zinc/77/19/45/583771945.db2.gz IGIGKEXXRAUOER-JTQLQIEISA-N 0 0 245.326 3.590 20 0 BHADRN Cc1ccc(-c2nc([C@@H](C)C(C)(C)C)no2)nc1 ZINC000896104701 583772242 /nfs/dbraw/zinc/77/22/42/583772242.db2.gz IGIGKEXXRAUOER-SNVBAGLBSA-N 0 0 245.326 3.590 20 0 BHADRN CC(C)(Cc1nc(C(C)(C)C)no1)CC(F)F ZINC000896172427 583777895 /nfs/dbraw/zinc/77/78/95/583777895.db2.gz BJCRIJWKGVGPRQ-UHFFFAOYSA-N 0 0 246.301 3.591 20 0 BHADRN C[C@@H]1C[C@H](Nc2nccc3occc32)CCS1 ZINC000896243203 583784369 /nfs/dbraw/zinc/78/43/69/583784369.db2.gz AFIVULSJLGIRMS-NXEZZACHSA-N 0 0 248.351 3.524 20 0 BHADRN C[C@H]1C[C@@H](Nc2nccc3occc32)CCS1 ZINC000896243204 583784363 /nfs/dbraw/zinc/78/43/63/583784363.db2.gz AFIVULSJLGIRMS-UWVGGRQHSA-N 0 0 248.351 3.524 20 0 BHADRN C[C@H]1C[C@H](Nc2nccc3occc32)CCS1 ZINC000896243205 583784584 /nfs/dbraw/zinc/78/45/84/583784584.db2.gz AFIVULSJLGIRMS-VHSXEESVSA-N 0 0 248.351 3.524 20 0 BHADRN C[C@@H]1C[C@@H](Nc2nccc3occc32)CCS1 ZINC000896243206 583784279 /nfs/dbraw/zinc/78/42/79/583784279.db2.gz AFIVULSJLGIRMS-ZJUUUORDSA-N 0 0 248.351 3.524 20 0 BHADRN C[C@@H]1C[C@H](Nc2nc3ccccc3o2)CCS1 ZINC000896244101 583784268 /nfs/dbraw/zinc/78/42/68/583784268.db2.gz FJVFFWSXMHTQQM-NXEZZACHSA-N 0 0 248.351 3.524 20 0 BHADRN C[C@H]1C[C@@H](Nc2nc3ccccc3o2)CCS1 ZINC000896244102 583784334 /nfs/dbraw/zinc/78/43/34/583784334.db2.gz FJVFFWSXMHTQQM-UWVGGRQHSA-N 0 0 248.351 3.524 20 0 BHADRN C[C@H]1C[C@H](Nc2nc3ccccc3o2)CCS1 ZINC000896244104 583784319 /nfs/dbraw/zinc/78/43/19/583784319.db2.gz FJVFFWSXMHTQQM-VHSXEESVSA-N 0 0 248.351 3.524 20 0 BHADRN C[C@@H]1C[C@@H](Nc2nc3ccccc3o2)CCS1 ZINC000896244106 583784259 /nfs/dbraw/zinc/78/42/59/583784259.db2.gz FJVFFWSXMHTQQM-ZJUUUORDSA-N 0 0 248.351 3.524 20 0 BHADRN Cc1ccnc(N[C@@H]2CCSC3(CCC3)C2)c1 ZINC000896248031 583785443 /nfs/dbraw/zinc/78/54/43/583785443.db2.gz BRXMGADJMBNRBO-GFCCVEGCSA-N 0 0 248.395 3.620 20 0 BHADRN Cc1ccnc(N[C@H]2CCSC3(CCC3)C2)c1 ZINC000896248033 583785269 /nfs/dbraw/zinc/78/52/69/583785269.db2.gz BRXMGADJMBNRBO-LBPRGKRZSA-N 0 0 248.395 3.620 20 0 BHADRN Cc1cccc(N[C@@H]2CCSC3(CCC3)C2)n1 ZINC000896250506 583786207 /nfs/dbraw/zinc/78/62/07/583786207.db2.gz PRDFYVNBYAFWCD-GFCCVEGCSA-N 0 0 248.395 3.620 20 0 BHADRN Cc1cccc(N[C@H]2CCSC3(CCC3)C2)n1 ZINC000896250508 583786504 /nfs/dbraw/zinc/78/65/04/583786504.db2.gz PRDFYVNBYAFWCD-LBPRGKRZSA-N 0 0 248.395 3.620 20 0 BHADRN Cc1cscc1-c1noc(C2(C3CC3)CC2)n1 ZINC000896251138 583786784 /nfs/dbraw/zinc/78/67/84/583786784.db2.gz JZXJQOSEKBTDQS-UHFFFAOYSA-N 0 0 246.335 3.548 20 0 BHADRN CCC(CC)(CC)c1nc(-c2ocnc2C)no1 ZINC000896317027 583791273 /nfs/dbraw/zinc/79/12/73/583791273.db2.gz OLGUPOYHKLEURY-UHFFFAOYSA-N 0 0 249.314 3.501 20 0 BHADRN CC[C@@H](CC(C)C)c1nc(-c2ocnc2C)no1 ZINC000896320843 583791544 /nfs/dbraw/zinc/79/15/44/583791544.db2.gz ILLCLINTLHVJKU-JTQLQIEISA-N 0 0 249.314 3.573 20 0 BHADRN CC[C@H](CC(C)C)c1nc(-c2ocnc2C)no1 ZINC000896320844 583791618 /nfs/dbraw/zinc/79/16/18/583791618.db2.gz ILLCLINTLHVJKU-SNVBAGLBSA-N 0 0 249.314 3.573 20 0 BHADRN CC(C)c1ccc(NC2CC(C(F)F)C2)cn1 ZINC000896611836 583817498 /nfs/dbraw/zinc/81/74/98/583817498.db2.gz DROUWICEYQQSHT-UHFFFAOYSA-N 0 0 240.297 3.661 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1ccc(C(C)C)nc1 ZINC000896616564 583818174 /nfs/dbraw/zinc/81/81/74/583818174.db2.gz FVULMDAFCSJWCV-CHWSQXEVSA-N 0 0 236.384 3.511 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1ccc(C(C)C)nc1 ZINC000896616565 583818371 /nfs/dbraw/zinc/81/83/71/583818371.db2.gz FVULMDAFCSJWCV-OLZOCXBDSA-N 0 0 236.384 3.511 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1ccc(C(C)C)nc1 ZINC000896616566 583818047 /nfs/dbraw/zinc/81/80/47/583818047.db2.gz FVULMDAFCSJWCV-QWHCGFSZSA-N 0 0 236.384 3.511 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1ccc(C(C)C)nc1 ZINC000896616567 583817925 /nfs/dbraw/zinc/81/79/25/583817925.db2.gz FVULMDAFCSJWCV-STQMWFEESA-N 0 0 236.384 3.511 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)[C@H]2CC2(F)F)cn1 ZINC000896617796 583818022 /nfs/dbraw/zinc/81/80/22/583818022.db2.gz KEDOIPOHLCIVRK-GXSJLCMTSA-N 0 0 240.297 3.661 20 0 BHADRN CC(C)c1ccc(N[C@H](C)[C@@H]2CC2(F)F)cn1 ZINC000896617798 583817973 /nfs/dbraw/zinc/81/79/73/583817973.db2.gz KEDOIPOHLCIVRK-KOLCDFICSA-N 0 0 240.297 3.661 20 0 BHADRN CC(C)c1ccc(N[C@H](C)[C@H]2CC2(F)F)cn1 ZINC000896617800 583818368 /nfs/dbraw/zinc/81/83/68/583818368.db2.gz KEDOIPOHLCIVRK-MWLCHTKSSA-N 0 0 240.297 3.661 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)[C@@H]2CC2(F)F)cn1 ZINC000896617802 583818016 /nfs/dbraw/zinc/81/80/16/583818016.db2.gz KEDOIPOHLCIVRK-ONGXEEELSA-N 0 0 240.297 3.661 20 0 BHADRN Cc1ncoc1-c1ccc(N[C@H]2CC[C@@H]2C)cc1 ZINC000896703051 583823697 /nfs/dbraw/zinc/82/36/97/583823697.db2.gz SYFGVFVTDFIIME-HZMBPMFUSA-N 0 0 242.322 3.860 20 0 BHADRN Cc1ncoc1-c1ccc(N[C@@H]2CC[C@@H]2C)cc1 ZINC000896703052 583823371 /nfs/dbraw/zinc/82/33/71/583823371.db2.gz SYFGVFVTDFIIME-IINYFYTJSA-N 0 0 242.322 3.860 20 0 BHADRN Cc1ncoc1-c1ccc(N[C@@H]2CC[C@H]2C)cc1 ZINC000896703054 583823376 /nfs/dbraw/zinc/82/33/76/583823376.db2.gz SYFGVFVTDFIIME-QMTHXVAHSA-N 0 0 242.322 3.860 20 0 BHADRN Cc1ncoc1-c1ccc(N[C@H]2CC[C@H]2C)cc1 ZINC000896703160 583823337 /nfs/dbraw/zinc/82/33/37/583823337.db2.gz SYFGVFVTDFIIME-YGRLFVJLSA-N 0 0 242.322 3.860 20 0 BHADRN Cc1ncoc1-c1ccc(NC[C@@H]2C[C@@H]2C)cc1 ZINC000896703624 583823689 /nfs/dbraw/zinc/82/36/89/583823689.db2.gz YWYPEHRVKFLJBU-GWCFXTLKSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ncoc1-c1ccc(NC[C@H]2C[C@@H]2C)cc1 ZINC000896703626 583823334 /nfs/dbraw/zinc/82/33/34/583823334.db2.gz YWYPEHRVKFLJBU-GXFFZTMASA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ncoc1-c1ccc(NC[C@@H]2C[C@H]2C)cc1 ZINC000896703629 583823677 /nfs/dbraw/zinc/82/36/77/583823677.db2.gz YWYPEHRVKFLJBU-MFKMUULPSA-N 0 0 242.322 3.718 20 0 BHADRN Cc1ncoc1-c1ccc(NC[C@H]2C[C@H]2C)cc1 ZINC000896703631 583823248 /nfs/dbraw/zinc/82/32/48/583823248.db2.gz YWYPEHRVKFLJBU-ZWNOBZJWSA-N 0 0 242.322 3.718 20 0 BHADRN CCCC(CCC)c1nc(C2CSC2)no1 ZINC000896726883 583826802 /nfs/dbraw/zinc/82/68/02/583826802.db2.gz PHSQIYRPKCAFMG-UHFFFAOYSA-N 0 0 240.372 3.584 20 0 BHADRN CCC[C@@]1(C)CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC000896760293 583830990 /nfs/dbraw/zinc/83/09/90/583830990.db2.gz NUNSGVBDZBEBND-HNNXBMFYSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@]1(C)CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC000896760295 583831362 /nfs/dbraw/zinc/83/13/62/583831362.db2.gz NUNSGVBDZBEBND-OAHLLOKOSA-N 0 0 249.398 3.605 20 0 BHADRN CCC[C@@H](CC)c1nc(C2(SC)CC2)no1 ZINC000896775481 583833899 /nfs/dbraw/zinc/83/38/99/583833899.db2.gz WAARERBSFVRSGK-SECBINFHSA-N 0 0 240.372 3.715 20 0 BHADRN CCC[C@H](CC)c1nc(C2(SC)CC2)no1 ZINC000896775482 583833504 /nfs/dbraw/zinc/83/35/04/583833504.db2.gz WAARERBSFVRSGK-VIFPVBQESA-N 0 0 240.372 3.715 20 0 BHADRN COc1ccc([C@@H](C)Nc2nccs2)cc1C ZINC000896776650 583832027 /nfs/dbraw/zinc/83/20/27/583832027.db2.gz JTIBRINQHGCUPC-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccc([C@@H](C)Nc2ccccn2)cc1C ZINC000896778300 583832683 /nfs/dbraw/zinc/83/26/83/583832683.db2.gz WVRIJIYVTQYIFV-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN CCCC[C@@H](C)c1nc(C2(SC)CC2)no1 ZINC000896781648 583832618 /nfs/dbraw/zinc/83/26/18/583832618.db2.gz SMWNGWRUZFWCHQ-SECBINFHSA-N 0 0 240.372 3.715 20 0 BHADRN CCCC[C@H](C)c1nc(C2(SC)CC2)no1 ZINC000896781649 583832727 /nfs/dbraw/zinc/83/27/27/583832727.db2.gz SMWNGWRUZFWCHQ-VIFPVBQESA-N 0 0 240.372 3.715 20 0 BHADRN CSC1(c2noc([C@H](C)CC(C)C)n2)CC1 ZINC000896782126 583832760 /nfs/dbraw/zinc/83/27/60/583832760.db2.gz PJXVJCADPRQGEZ-SECBINFHSA-N 0 0 240.372 3.571 20 0 BHADRN CSC1(c2noc([C@@H](C)CC(C)C)n2)CC1 ZINC000896782127 583832528 /nfs/dbraw/zinc/83/25/28/583832528.db2.gz PJXVJCADPRQGEZ-VIFPVBQESA-N 0 0 240.372 3.571 20 0 BHADRN CSC1(c2noc([C@@H](C)C(C)(C)C)n2)CC1 ZINC000896784471 583833378 /nfs/dbraw/zinc/83/33/78/583833378.db2.gz HOKVOABWIDDWDV-MRVPVSSYSA-N 0 0 240.372 3.571 20 0 BHADRN CSC1(c2noc([C@H](C)C(C)(C)C)n2)CC1 ZINC000896784472 583833298 /nfs/dbraw/zinc/83/32/98/583833298.db2.gz HOKVOABWIDDWDV-QMMMGPOBSA-N 0 0 240.372 3.571 20 0 BHADRN CCC(=Cc1nc(C2(SC)CC2)no1)CC ZINC000896784542 583833234 /nfs/dbraw/zinc/83/32/34/583833234.db2.gz ZZDKMDSROVARON-UHFFFAOYSA-N 0 0 238.356 3.625 20 0 BHADRN CCCCCCc1nc(C2(SC)CC2)no1 ZINC000896789562 583834084 /nfs/dbraw/zinc/83/40/84/583834084.db2.gz WWCTXAXOTBQCAF-UHFFFAOYSA-N 0 0 240.372 3.545 20 0 BHADRN CC/C=C(/C)c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896797500 583835201 /nfs/dbraw/zinc/83/52/01/583835201.db2.gz LFJGVCANPURWJD-FXXDRWHHSA-N 0 0 247.125 3.544 20 0 BHADRN CC/C=C(\C)c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896797501 583834802 /nfs/dbraw/zinc/83/48/02/583834802.db2.gz LFJGVCANPURWJD-KNIZRNDPSA-N 0 0 247.125 3.544 20 0 BHADRN CC/C=C(/C)c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896797502 583835197 /nfs/dbraw/zinc/83/51/97/583835197.db2.gz LFJGVCANPURWJD-NGAMADIESA-N 0 0 247.125 3.544 20 0 BHADRN CC/C=C(\C)c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896797503 583834991 /nfs/dbraw/zinc/83/49/91/583834991.db2.gz LFJGVCANPURWJD-PTYLAXBQSA-N 0 0 247.125 3.544 20 0 BHADRN CCC[C@H](C)c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896804937 583834337 /nfs/dbraw/zinc/83/43/37/583834337.db2.gz BGIKYOIPLLWANX-BQBZGAKWSA-N 0 0 249.141 3.634 20 0 BHADRN CCC[C@H](C)c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896804938 583834085 /nfs/dbraw/zinc/83/40/85/583834085.db2.gz BGIKYOIPLLWANX-NKWVEPMBSA-N 0 0 249.141 3.634 20 0 BHADRN CCC[C@@H](C)c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896804939 583834203 /nfs/dbraw/zinc/83/42/03/583834203.db2.gz BGIKYOIPLLWANX-RNFRBKRXSA-N 0 0 249.141 3.634 20 0 BHADRN CCC[C@@H](C)c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896804940 583834210 /nfs/dbraw/zinc/83/42/10/583834210.db2.gz BGIKYOIPLLWANX-RQJHMYQMSA-N 0 0 249.141 3.634 20 0 BHADRN CCC(CC)c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896805292 583834151 /nfs/dbraw/zinc/83/41/51/583834151.db2.gz FHAWBQJNCLAYMJ-SSDOTTSWSA-N 0 0 249.141 3.634 20 0 BHADRN CCC(CC)c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896805293 583834130 /nfs/dbraw/zinc/83/41/30/583834130.db2.gz FHAWBQJNCLAYMJ-ZETCQYMHSA-N 0 0 249.141 3.634 20 0 BHADRN CC/C(C)=C\c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896812064 583836081 /nfs/dbraw/zinc/83/60/81/583836081.db2.gz XHKOFPXXOGOXDA-FXXDRWHHSA-N 0 0 247.125 3.544 20 0 BHADRN CC/C(C)=C/c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896812222 583836236 /nfs/dbraw/zinc/83/62/36/583836236.db2.gz XHKOFPXXOGOXDA-KNIZRNDPSA-N 0 0 247.125 3.544 20 0 BHADRN CC/C(C)=C\c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896812224 583836224 /nfs/dbraw/zinc/83/62/24/583836224.db2.gz XHKOFPXXOGOXDA-NGAMADIESA-N 0 0 247.125 3.544 20 0 BHADRN CC/C(C)=C/c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896812225 583836006 /nfs/dbraw/zinc/83/60/06/583836006.db2.gz XHKOFPXXOGOXDA-PTYLAXBQSA-N 0 0 247.125 3.544 20 0 BHADRN CCC/C=C\c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896816077 583835987 /nfs/dbraw/zinc/83/59/87/583835987.db2.gz LZDUCTZELKKUKK-IQXGSHKSSA-N 0 0 247.125 3.544 20 0 BHADRN CCC/C=C/c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896816078 583836059 /nfs/dbraw/zinc/83/60/59/583836059.db2.gz LZDUCTZELKKUKK-KPJROHGDSA-N 0 0 247.125 3.544 20 0 BHADRN CCC/C=C\c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896816079 583835999 /nfs/dbraw/zinc/83/59/99/583835999.db2.gz LZDUCTZELKKUKK-MJSGSUOKSA-N 0 0 247.125 3.544 20 0 BHADRN CCC/C=C/c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896816080 583836099 /nfs/dbraw/zinc/83/60/99/583836099.db2.gz LZDUCTZELKKUKK-SMMXGFFBSA-N 0 0 247.125 3.544 20 0 BHADRN CCC/C=C\c1nc(-c2ccc(Cl)cn2)no1 ZINC000896957248 583864727 /nfs/dbraw/zinc/86/47/27/583864727.db2.gz UASNNXMLDNIGCC-PLNGDYQASA-N 0 0 249.701 3.598 20 0 BHADRN CCC/C=C/c1nc(-c2ccc(Cl)cn2)no1 ZINC000896957249 583864378 /nfs/dbraw/zinc/86/43/78/583864378.db2.gz UASNNXMLDNIGCC-SNAWJCMRSA-N 0 0 249.701 3.598 20 0 BHADRN Cc1ccc(CSc2cc(C3CC3)ncn2)o1 ZINC000897040776 583873360 /nfs/dbraw/zinc/87/33/60/583873360.db2.gz AGQIDRYSMKPGDL-UHFFFAOYSA-N 0 0 246.335 3.548 20 0 BHADRN CC(C)(C)c1nnc(N[C@H]2CCCC3(CC3)C2)o1 ZINC000897042755 583873819 /nfs/dbraw/zinc/87/38/19/583873819.db2.gz PLTKPYYVHVWSOG-JTQLQIEISA-N 0 0 249.358 3.502 20 0 BHADRN CC(C)(C)c1nnc(N[C@@H]2CCCC3(CC3)C2)o1 ZINC000897042756 583873983 /nfs/dbraw/zinc/87/39/83/583873983.db2.gz PLTKPYYVHVWSOG-SNVBAGLBSA-N 0 0 249.358 3.502 20 0 BHADRN Cc1ccc(CSc2ccnc(C3CC3)n2)o1 ZINC000897044273 583872773 /nfs/dbraw/zinc/87/27/73/583872773.db2.gz NGVCTWXXNUNITK-UHFFFAOYSA-N 0 0 246.335 3.548 20 0 BHADRN Cc1cnc(N[C@@H]2CCSC(C)(C)C2)s1 ZINC000897065056 583876583 /nfs/dbraw/zinc/87/65/83/583876583.db2.gz YMUOKDTXNZCNAY-SECBINFHSA-N 0 0 242.413 3.538 20 0 BHADRN Cc1cnc(N[C@H]2CCSC(C)(C)C2)s1 ZINC000897065059 583876328 /nfs/dbraw/zinc/87/63/28/583876328.db2.gz YMUOKDTXNZCNAY-VIFPVBQESA-N 0 0 242.413 3.538 20 0 BHADRN C[C@@H](c1noc(C2CCC2)n1)c1cccc(F)c1 ZINC000897074799 583875804 /nfs/dbraw/zinc/87/58/04/583875804.db2.gz QUVYWRSUNWHNRP-SECBINFHSA-N 0 0 246.285 3.628 20 0 BHADRN C[C@H](c1noc(C2CCC2)n1)c1cccc(F)c1 ZINC000897074800 583875919 /nfs/dbraw/zinc/87/59/19/583875919.db2.gz QUVYWRSUNWHNRP-VIFPVBQESA-N 0 0 246.285 3.628 20 0 BHADRN CS[C@@H]1CC[C@H]1Nc1ccc(C(F)F)cc1 ZINC000897105697 583881116 /nfs/dbraw/zinc/88/11/16/583881116.db2.gz JLSULYCDSMUEPK-GHMZBOCLSA-N 0 0 243.322 3.930 20 0 BHADRN CS[C@H]1CC[C@H]1Nc1ccc(C(F)F)cc1 ZINC000897105698 583881095 /nfs/dbraw/zinc/88/10/95/583881095.db2.gz JLSULYCDSMUEPK-MNOVXSKESA-N 0 0 243.322 3.930 20 0 BHADRN CS[C@H]1CC[C@@H]1Nc1ccc(C(F)F)cc1 ZINC000897105699 583880986 /nfs/dbraw/zinc/88/09/86/583880986.db2.gz JLSULYCDSMUEPK-QWRGUYRKSA-N 0 0 243.322 3.930 20 0 BHADRN CS[C@@H]1CC[C@@H]1Nc1ccc(C(F)F)cc1 ZINC000897105700 583881049 /nfs/dbraw/zinc/88/10/49/583881049.db2.gz JLSULYCDSMUEPK-WDEREUQCSA-N 0 0 243.322 3.930 20 0 BHADRN FC(F)c1ccc(NCCC[C@@H]2CCO2)cc1 ZINC000897106181 583880839 /nfs/dbraw/zinc/88/08/39/583880839.db2.gz MZMIJZLGFVIEDW-GFCCVEGCSA-N 0 0 241.281 3.605 20 0 BHADRN FC(F)c1ccc(NCCC[C@H]2CCO2)cc1 ZINC000897106182 583880826 /nfs/dbraw/zinc/88/08/26/583880826.db2.gz MZMIJZLGFVIEDW-LBPRGKRZSA-N 0 0 241.281 3.605 20 0 BHADRN CC(C)Nc1cccc(COC(C)(C)C)c1 ZINC000897125427 583882757 /nfs/dbraw/zinc/88/27/57/583882757.db2.gz WGLAQYVSNXVMCO-UHFFFAOYSA-N 0 0 221.344 3.822 20 0 BHADRN FCCCCc1noc(C2CCC=CCC2)n1 ZINC000897198529 711785016 /nfs/dbraw/zinc/78/50/16/711785016.db2.gz DPFCYRLCQDYIDZ-UHFFFAOYSA-N 0 0 238.306 3.576 20 0 BHADRN CC(C)(C)[C@@H]1C[C@H]1c1nc(CCCCF)no1 ZINC000897198552 711785025 /nfs/dbraw/zinc/78/50/25/711785025.db2.gz FHOLBQCMJVMNJU-NXEZZACHSA-N 0 0 240.322 3.511 20 0 BHADRN CCC[C@H](CC)c1nc(CCCCF)no1 ZINC000897199157 583893203 /nfs/dbraw/zinc/89/32/03/583893203.db2.gz QOAYJIZVUUROKH-JTQLQIEISA-N 0 0 228.311 3.656 20 0 BHADRN CCC[C@@H](CC)c1nc(CCCCF)no1 ZINC000897199158 583893196 /nfs/dbraw/zinc/89/31/96/583893196.db2.gz QOAYJIZVUUROKH-SNVBAGLBSA-N 0 0 228.311 3.656 20 0 BHADRN FCCCCc1noc(/C=C/C2CCCC2)n1 ZINC000897202214 583892906 /nfs/dbraw/zinc/89/29/06/583892906.db2.gz SNBPFSRHQNBCOC-CMDGGOBGSA-N 0 0 238.306 3.565 20 0 BHADRN FCCCCc1noc(/C=C\C2CCCC2)n1 ZINC000897202215 583893174 /nfs/dbraw/zinc/89/31/74/583893174.db2.gz SNBPFSRHQNBCOC-HJWRWDBZSA-N 0 0 238.306 3.565 20 0 BHADRN CCCC[C@@](C)(F)c1nc(CCCCF)no1 ZINC000897202256 583893171 /nfs/dbraw/zinc/89/31/71/583893171.db2.gz VBDWXPCWGJFWEK-GFCCVEGCSA-N 0 0 246.301 3.737 20 0 BHADRN CCCC[C@](C)(F)c1nc(CCCCF)no1 ZINC000897202257 583893183 /nfs/dbraw/zinc/89/31/83/583893183.db2.gz VBDWXPCWGJFWEK-LBPRGKRZSA-N 0 0 246.301 3.737 20 0 BHADRN CC(C)C[C@@H]1C[C@H]1c1nc(CCCCF)no1 ZINC000897203122 583895270 /nfs/dbraw/zinc/89/52/70/583895270.db2.gz IFIRZGJQTVTBGW-GHMZBOCLSA-N 0 0 240.322 3.511 20 0 BHADRN C[C@H]1CC=C(c2nc(CCCCF)no2)CC1 ZINC000897203182 583895402 /nfs/dbraw/zinc/89/54/02/583895402.db2.gz KQLYGRQFDVVSJR-JTQLQIEISA-N 0 0 238.306 3.565 20 0 BHADRN C[C@@H]1CC=C(c2nc(CCCCF)no2)CC1 ZINC000897203183 583895260 /nfs/dbraw/zinc/89/52/60/583895260.db2.gz KQLYGRQFDVVSJR-SNVBAGLBSA-N 0 0 238.306 3.565 20 0 BHADRN FCCCCc1noc(C(F)=C2CCCC2)n1 ZINC000897203526 583893750 /nfs/dbraw/zinc/89/37/50/583893750.db2.gz XLNNEFRGKIFUKX-UHFFFAOYSA-N 0 0 242.269 3.616 20 0 BHADRN CCCC[C@H](C)c1nc(CCCCF)no1 ZINC000897205064 583894315 /nfs/dbraw/zinc/89/43/15/583894315.db2.gz FQWOBPZAZFUXBZ-JTQLQIEISA-N 0 0 228.311 3.656 20 0 BHADRN CCCC[C@@H](C)c1nc(CCCCF)no1 ZINC000897205065 583894251 /nfs/dbraw/zinc/89/42/51/583894251.db2.gz FQWOBPZAZFUXBZ-SNVBAGLBSA-N 0 0 228.311 3.656 20 0 BHADRN CC(C)[C@]1(C)C[C@H]1c1nc(CCCCF)no1 ZINC000897205308 583894285 /nfs/dbraw/zinc/89/42/85/583894285.db2.gz HEVWEQDENJVZBU-GWCFXTLKSA-N 0 0 240.322 3.511 20 0 BHADRN CC(C)[C@@]1(C)C[C@H]1c1nc(CCCCF)no1 ZINC000897205309 583894195 /nfs/dbraw/zinc/89/41/95/583894195.db2.gz HEVWEQDENJVZBU-GXFFZTMASA-N 0 0 240.322 3.511 20 0 BHADRN CC(C)[C@]1(C)C[C@@H]1c1nc(CCCCF)no1 ZINC000897205310 583894282 /nfs/dbraw/zinc/89/42/82/583894282.db2.gz HEVWEQDENJVZBU-MFKMUULPSA-N 0 0 240.322 3.511 20 0 BHADRN CC(C)[C@@]1(C)C[C@@H]1c1nc(CCCCF)no1 ZINC000897205311 583894278 /nfs/dbraw/zinc/89/42/78/583894278.db2.gz HEVWEQDENJVZBU-ZWNOBZJWSA-N 0 0 240.322 3.511 20 0 BHADRN FCCCCc1noc(C2=CCCCCC2)n1 ZINC000897206458 583894221 /nfs/dbraw/zinc/89/42/21/583894221.db2.gz ZRJBKCWVDJPUBI-UHFFFAOYSA-N 0 0 238.306 3.709 20 0 BHADRN C[C@@H](c1nc(CCCCF)no1)c1ccccc1 ZINC000897207468 583894320 /nfs/dbraw/zinc/89/43/20/583894320.db2.gz GXUSVUMBAVAEJK-LLVKDONJSA-N 0 0 248.301 3.514 20 0 BHADRN C[C@H](c1nc(CCCCF)no1)c1ccccc1 ZINC000897207469 583894423 /nfs/dbraw/zinc/89/44/23/583894423.db2.gz GXUSVUMBAVAEJK-NSHDSACASA-N 0 0 248.301 3.514 20 0 BHADRN CC(C)C[C@H](C)c1nc(CCCCF)no1 ZINC000897207544 583894154 /nfs/dbraw/zinc/89/41/54/583894154.db2.gz JAOHLFZBWGJJOV-JTQLQIEISA-N 0 0 228.311 3.511 20 0 BHADRN CC(C)C[C@@H](C)c1nc(CCCCF)no1 ZINC000897207545 583894066 /nfs/dbraw/zinc/89/40/66/583894066.db2.gz 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/nfs/dbraw/zinc/58/54/61/584585461.db2.gz QTDHOQHCAACMFM-NSHDSACASA-N 0 0 248.395 3.912 20 0 BHADRN CCC(F)(F)CS[C@H](C)c1cnc(C)cn1 ZINC000902397288 584585334 /nfs/dbraw/zinc/58/53/34/584585334.db2.gz UODSZXGPOZCPKD-SECBINFHSA-N 0 0 246.326 3.625 20 0 BHADRN CCC(F)(F)CS[C@@H](C)c1cnc(C)cn1 ZINC000902397289 584585162 /nfs/dbraw/zinc/58/51/62/584585162.db2.gz UODSZXGPOZCPKD-VIFPVBQESA-N 0 0 246.326 3.625 20 0 BHADRN C=C/C=C\CCSCC1CC(F)(F)C1 ZINC000902397432 584585510 /nfs/dbraw/zinc/58/55/10/584585510.db2.gz MYYVXMKJANEWPR-ARJAWSKDSA-N 0 0 218.312 3.897 20 0 BHADRN C=C/C=C/CCSCC1CC(F)(F)C1 ZINC000902397434 584585660 /nfs/dbraw/zinc/58/56/60/584585660.db2.gz MYYVXMKJANEWPR-ONEGZZNKSA-N 0 0 218.312 3.897 20 0 BHADRN C=C/C=C/CCS[C@H](C)c1cnc(C)cn1 ZINC000902397830 584585605 /nfs/dbraw/zinc/58/56/05/584585605.db2.gz XQWGDZJHAIPEDQ-BTDICHCPSA-N 0 0 234.368 3.712 20 0 BHADRN C=C/C=C\CCS[C@@H](C)c1cnc(C)cn1 ZINC000902397832 584585129 /nfs/dbraw/zinc/58/51/29/584585129.db2.gz 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BHADRN CCC(F)(F)CSCC1CC(F)(F)C1 ZINC000902398061 584586179 /nfs/dbraw/zinc/58/61/79/584586179.db2.gz OUCLXPRZXPXKOZ-UHFFFAOYSA-N 0 0 230.270 3.810 20 0 BHADRN CC(F)(F)CCCOc1ccc2cc[nH]c2c1 ZINC000902398314 584586202 /nfs/dbraw/zinc/58/62/02/584586202.db2.gz ZTSIRSIPKORORG-UHFFFAOYSA-N 0 0 239.265 3.982 20 0 BHADRN c1nnc(CSCCC2=CCCCC2)s1 ZINC000902400647 584586810 /nfs/dbraw/zinc/58/68/10/584586810.db2.gz VIFOWYFHUBNLSS-UHFFFAOYSA-N 0 0 240.397 3.662 20 0 BHADRN CC(F)(F)CCCOc1cccc2cnoc21 ZINC000902406916 584574253 /nfs/dbraw/zinc/57/42/53/584574253.db2.gz TVJGSRHLZBEGHV-UHFFFAOYSA-N 0 0 241.237 3.642 20 0 BHADRN CC[C@H](CSCCCC(C)(F)F)OC ZINC000902410983 584575981 /nfs/dbraw/zinc/57/59/81/584575981.db2.gz UEBMDUXGFIIDOI-SECBINFHSA-N 0 0 226.332 3.580 20 0 BHADRN CC[C@@H](CSCCCC(C)(F)F)OC ZINC000902410985 584575987 /nfs/dbraw/zinc/57/59/87/584575987.db2.gz UEBMDUXGFIIDOI-VIFPVBQESA-N 0 0 226.332 3.580 20 0 BHADRN c1cc(CCSCC2=CCCC2)sn1 ZINC000902412072 584576272 /nfs/dbraw/zinc/57/62/72/584576272.db2.gz BXINLPSOSKXJDS-UHFFFAOYSA-N 0 0 225.382 3.529 20 0 BHADRN CC(C)CCCSC[C@H]1C[C@@]12CCOC2 ZINC000902412127 584576136 /nfs/dbraw/zinc/57/61/36/584576136.db2.gz ZYPTUKNMYRYULH-CHWSQXEVSA-N 0 0 228.401 3.582 20 0 BHADRN CC(C)CCCSC[C@H]1C[C@]12CCOC2 ZINC000902412128 584576420 /nfs/dbraw/zinc/57/64/20/584576420.db2.gz ZYPTUKNMYRYULH-OLZOCXBDSA-N 0 0 228.401 3.582 20 0 BHADRN CC(C)CCCSC[C@@H]1C[C@@]12CCOC2 ZINC000902412129 584576123 /nfs/dbraw/zinc/57/61/23/584576123.db2.gz ZYPTUKNMYRYULH-QWHCGFSZSA-N 0 0 228.401 3.582 20 0 BHADRN CC(C)CCCSC[C@@H]1C[C@]12CCOC2 ZINC000902412130 584576205 /nfs/dbraw/zinc/57/62/05/584576205.db2.gz ZYPTUKNMYRYULH-STQMWFEESA-N 0 0 228.401 3.582 20 0 BHADRN CCC(F)(F)CSCCC[C@H]1CCOC1 ZINC000902412259 584575972 /nfs/dbraw/zinc/57/59/72/584575972.db2.gz HNYUFIZTBIHYOY-JTQLQIEISA-N 0 0 238.343 3.582 20 0 BHADRN CCC(F)(F)CSCCC[C@@H]1CCOC1 ZINC000902412260 584575979 /nfs/dbraw/zinc/57/59/79/584575979.db2.gz HNYUFIZTBIHYOY-SNVBAGLBSA-N 0 0 238.343 3.582 20 0 BHADRN C=C/C=C\CCSCCC[C@@H]1CCOC1 ZINC000902412705 584576323 /nfs/dbraw/zinc/57/63/23/584576323.db2.gz OKMVEWRSVRLLRO-DHCBQETCSA-N 0 0 226.385 3.669 20 0 BHADRN C=C/C=C/CCSCCC[C@@H]1CCOC1 ZINC000902412706 584576385 /nfs/dbraw/zinc/57/63/85/584576385.db2.gz OKMVEWRSVRLLRO-ITDFMYJTSA-N 0 0 226.385 3.669 20 0 BHADRN C=C/C=C/CCSCCC[C@H]1CCOC1 ZINC000902412707 584576474 /nfs/dbraw/zinc/57/64/74/584576474.db2.gz OKMVEWRSVRLLRO-OOPCZODUSA-N 0 0 226.385 3.669 20 0 BHADRN C=C/C=C\CCSCCC[C@H]1CCOC1 ZINC000902412708 584576175 /nfs/dbraw/zinc/57/61/75/584576175.db2.gz OKMVEWRSVRLLRO-SCOBNMCVSA-N 0 0 226.385 3.669 20 0 BHADRN CC(C)(CCSCc1nncs1)C1CC1 ZINC000902413627 584599323 /nfs/dbraw/zinc/59/93/23/584599323.db2.gz JPYWBVOSHNKNBS-UHFFFAOYSA-N 0 0 242.413 3.598 20 0 BHADRN CCCc1ccccc1NC(=O)C1(C)CC=CC1 ZINC000902415363 584589422 /nfs/dbraw/zinc/58/94/22/584589422.db2.gz FROMNXLVTQVWNK-UHFFFAOYSA-N 0 0 243.350 3.934 20 0 BHADRN CCc1nocc1CSCCCC(C)(F)F ZINC000902415958 584590221 /nfs/dbraw/zinc/59/02/21/584590221.db2.gz CGZHMORHIRMFCT-UHFFFAOYSA-N 0 0 249.326 3.906 20 0 BHADRN Cc1nocc1CSCCCC(C)(F)F ZINC000902415988 584589927 /nfs/dbraw/zinc/58/99/27/584589927.db2.gz CRFYRTADSNEDTR-UHFFFAOYSA-N 0 0 235.299 3.652 20 0 BHADRN C=C/C=C/CCSCc1conc1CC ZINC000902416345 584590207 /nfs/dbraw/zinc/59/02/07/584590207.db2.gz GYEMSFDCGYLCQH-AATRIKPKSA-N 0 0 223.341 3.603 20 0 BHADRN C=C/C=C\CCSCc1conc1CC ZINC000902416347 584590146 /nfs/dbraw/zinc/59/01/46/584590146.db2.gz GYEMSFDCGYLCQH-WAYWQWQTSA-N 0 0 223.341 3.603 20 0 BHADRN Cc1nocc1CSC1CC2(CCC2)C1 ZINC000902418103 584591513 /nfs/dbraw/zinc/59/15/13/584591513.db2.gz MKYOTYRBKIVANK-UHFFFAOYSA-N 0 0 223.341 3.549 20 0 BHADRN CCC(CC)CSC[C@H]1C[C@@]12CCOC2 ZINC000902418147 584591780 /nfs/dbraw/zinc/59/17/80/584591780.db2.gz MOOQCKPNCQHCGS-CHWSQXEVSA-N 0 0 228.401 3.582 20 0 BHADRN CCC(CC)CSC[C@H]1C[C@]12CCOC2 ZINC000902418149 584591737 /nfs/dbraw/zinc/59/17/37/584591737.db2.gz MOOQCKPNCQHCGS-OLZOCXBDSA-N 0 0 228.401 3.582 20 0 BHADRN CCC(CC)CSC[C@@H]1C[C@@]12CCOC2 ZINC000902418150 584591599 /nfs/dbraw/zinc/59/15/99/584591599.db2.gz MOOQCKPNCQHCGS-QWHCGFSZSA-N 0 0 228.401 3.582 20 0 BHADRN CCC(CC)CSC[C@@H]1C[C@]12CCOC2 ZINC000902418152 584591836 /nfs/dbraw/zinc/59/18/36/584591836.db2.gz MOOQCKPNCQHCGS-STQMWFEESA-N 0 0 228.401 3.582 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CSCc1nncs1 ZINC000902418559 584591512 /nfs/dbraw/zinc/59/15/12/584591512.db2.gz OQCDOTJOQJGGLR-NXEZZACHSA-N 0 0 242.413 3.598 20 0 BHADRN C[C@H]1CCCC[C@H]1CSCc1nncs1 ZINC000902418560 584591706 /nfs/dbraw/zinc/59/17/06/584591706.db2.gz OQCDOTJOQJGGLR-UWVGGRQHSA-N 0 0 242.413 3.598 20 0 BHADRN C[C@H]1CCCC[C@@H]1CSCc1nncs1 ZINC000902418561 584591742 /nfs/dbraw/zinc/59/17/42/584591742.db2.gz OQCDOTJOQJGGLR-VHSXEESVSA-N 0 0 242.413 3.598 20 0 BHADRN C[C@@H]1CCCC[C@H]1CSCc1nncs1 ZINC000902418562 584591839 /nfs/dbraw/zinc/59/18/39/584591839.db2.gz OQCDOTJOQJGGLR-ZJUUUORDSA-N 0 0 242.413 3.598 20 0 BHADRN CC(C)(C)c1ccn(CCCC(C)(F)F)n1 ZINC000902418579 584592023 /nfs/dbraw/zinc/59/20/23/584592023.db2.gz PFUXPASZCRECGE-UHFFFAOYSA-N 0 0 230.302 3.616 20 0 BHADRN CCc1nocc1CSCC(F)(F)CC ZINC000902418667 584591838 /nfs/dbraw/zinc/59/18/38/584591838.db2.gz QMHZOHGAMNJCMH-UHFFFAOYSA-N 0 0 235.299 3.516 20 0 BHADRN Cc1cc(CSC2CC3(CCC3)C2)nc(C)n1 ZINC000902419267 637303560 /nfs/dbraw/zinc/30/35/60/637303560.db2.gz RFVURCUHFOOSGY-UHFFFAOYSA-N 0 0 248.395 3.659 20 0 BHADRN CCc1nocc1CSC1CC2(CCC2)C1 ZINC000902419814 637303803 /nfs/dbraw/zinc/30/38/03/637303803.db2.gz WIEOIVNZABQZJC-UHFFFAOYSA-N 0 0 237.368 3.803 20 0 BHADRN Cc1nocc1CSCC[C@@H]1C[C@H]1C1CC1 ZINC000902420985 584592515 /nfs/dbraw/zinc/59/25/15/584592515.db2.gz XRQWOQMROJDGFP-YPMHNXCESA-N 0 0 237.368 3.652 20 0 BHADRN Cc1oncc1CSCCCC(C)(F)F ZINC000902423284 584593161 /nfs/dbraw/zinc/59/31/61/584593161.db2.gz FLQIYRPYMJJXQF-UHFFFAOYSA-N 0 0 235.299 3.652 20 0 BHADRN CC[C@@H](CSCCOC1CC1)CC(F)F ZINC000902423399 584593432 /nfs/dbraw/zinc/59/34/32/584593432.db2.gz OKCXMUWMQILCPP-SECBINFHSA-N 0 0 238.343 3.580 20 0 BHADRN CC[C@H](CSCCOC1CC1)CC(F)F ZINC000902423401 584593411 /nfs/dbraw/zinc/59/34/11/584593411.db2.gz OKCXMUWMQILCPP-VIFPVBQESA-N 0 0 238.343 3.580 20 0 BHADRN CC(F)(F)CCCSCc1cncs1 ZINC000902423876 584593426 /nfs/dbraw/zinc/59/34/26/584593426.db2.gz PODIZFLNNSRCCU-UHFFFAOYSA-N 0 0 237.340 3.812 20 0 BHADRN CC(C)=CCCSCc1cc(C)nnc1C ZINC000902423990 584593441 /nfs/dbraw/zinc/59/34/41/584593441.db2.gz LZCPMECDICVKSJ-UHFFFAOYSA-N 0 0 236.384 3.683 20 0 BHADRN C=C/C=C\CCSCc1cncs1 ZINC000902424109 584593213 /nfs/dbraw/zinc/59/32/13/584593213.db2.gz RUQRYCRCPZGUDD-ARJAWSKDSA-N 0 0 211.355 3.509 20 0 BHADRN C=C/C=C/CCSCc1cncs1 ZINC000902424110 584593497 /nfs/dbraw/zinc/59/34/97/584593497.db2.gz RUQRYCRCPZGUDD-ONEGZZNKSA-N 0 0 211.355 3.509 20 0 BHADRN Cc1cc(CSCCC2CCC2)c(C)nn1 ZINC000902424380 584593913 /nfs/dbraw/zinc/59/39/13/584593913.db2.gz OCLYWXYTTFJKTQ-UHFFFAOYSA-N 0 0 236.384 3.517 20 0 BHADRN C=C/C=C\CCSCc1cc(C2CC2)no1 ZINC000902424503 584593967 /nfs/dbraw/zinc/59/39/67/584593967.db2.gz KFVUURWFMMUBIO-ARJAWSKDSA-N 0 0 235.352 3.918 20 0 BHADRN C=C/C=C/CCSCc1cc(C2CC2)no1 ZINC000902424504 584593993 /nfs/dbraw/zinc/59/39/93/584593993.db2.gz KFVUURWFMMUBIO-ONEGZZNKSA-N 0 0 235.352 3.918 20 0 BHADRN CC[C@@H](CSCc1n[nH]cc1C)CC(F)F ZINC000902424556 584593701 /nfs/dbraw/zinc/59/37/01/584593701.db2.gz SEMYISSCRKJNMB-SECBINFHSA-N 0 0 248.342 3.633 20 0 BHADRN CC[C@H](CSCc1n[nH]cc1C)CC(F)F ZINC000902424558 584593804 /nfs/dbraw/zinc/59/38/04/584593804.db2.gz SEMYISSCRKJNMB-VIFPVBQESA-N 0 0 248.342 3.633 20 0 BHADRN Cc1oncc1CSC1CC2(CCC2)C1 ZINC000902425461 584593781 /nfs/dbraw/zinc/59/37/81/584593781.db2.gz OFOMRKAJRHOYDN-UHFFFAOYSA-N 0 0 223.341 3.549 20 0 BHADRN CC(C)=CCCSC[C@H]1C[C@@]12CCOC2 ZINC000902425763 637305444 /nfs/dbraw/zinc/30/54/44/637305444.db2.gz ZUAJHRJXOXXICU-CHWSQXEVSA-N 0 0 226.385 3.503 20 0 BHADRN CC(C)=CCCSC[C@H]1C[C@]12CCOC2 ZINC000902425765 637304653 /nfs/dbraw/zinc/30/46/53/637304653.db2.gz ZUAJHRJXOXXICU-OLZOCXBDSA-N 0 0 226.385 3.503 20 0 BHADRN CC(C)=CCCSC[C@@H]1C[C@@]12CCOC2 ZINC000902425767 637305498 /nfs/dbraw/zinc/30/54/98/637305498.db2.gz ZUAJHRJXOXXICU-QWHCGFSZSA-N 0 0 226.385 3.503 20 0 BHADRN CC(C)=CCCSC[C@@H]1C[C@]12CCOC2 ZINC000902425769 637305453 /nfs/dbraw/zinc/30/54/53/637305453.db2.gz ZUAJHRJXOXXICU-STQMWFEESA-N 0 0 226.385 3.503 20 0 BHADRN CCC(F)(F)CSCc1cc(C2CC2)no1 ZINC000902425825 637304553 /nfs/dbraw/zinc/30/45/53/637304553.db2.gz QQGBPYUVWNXHQE-UHFFFAOYSA-N 0 0 247.310 3.831 20 0 BHADRN Cc1oncc1CSCC[C@@H]1C[C@H]1C1CC1 ZINC000902426228 637304568 /nfs/dbraw/zinc/30/45/68/637304568.db2.gz VDHMVRVDZNNALS-YPMHNXCESA-N 0 0 237.368 3.652 20 0 BHADRN CCC(F)(F)CSCc1coc(C2CC2)n1 ZINC000902430760 584594938 /nfs/dbraw/zinc/59/49/38/584594938.db2.gz AFNXRIUTPBRUDF-UHFFFAOYSA-N 0 0 247.310 3.831 20 0 BHADRN Cc1cnc(CSCC[C@@H]2C[C@H]2C2CC2)o1 ZINC000902432898 584596229 /nfs/dbraw/zinc/59/62/29/584596229.db2.gz PNRGTOOBFVLWMZ-NEPJUHHUSA-N 0 0 237.368 3.652 20 0 BHADRN CC[C@@H]1C[C@H]1CSCc1coc(C2CC2)n1 ZINC000902433766 584596086 /nfs/dbraw/zinc/59/60/86/584596086.db2.gz QSHBGHXKHVLWKO-KOLCDFICSA-N 0 0 237.368 3.831 20 0 BHADRN Cc1cnc(CSC2CC3(CCC3)C2)o1 ZINC000902434100 584595971 /nfs/dbraw/zinc/59/59/71/584595971.db2.gz UPIJCGGTQNMYOT-UHFFFAOYSA-N 0 0 223.341 3.549 20 0 BHADRN Cc1cnc(CSCCCC(C)(F)F)o1 ZINC000902434351 584596117 /nfs/dbraw/zinc/59/61/17/584596117.db2.gz VSTZYXBTGAJIPM-UHFFFAOYSA-N 0 0 235.299 3.652 20 0 BHADRN C=C/C=C\CCSCc1coc(C2CC2)n1 ZINC000902435639 584596645 /nfs/dbraw/zinc/59/66/45/584596645.db2.gz KWBHMGNCPLNMHA-ARJAWSKDSA-N 0 0 235.352 3.918 20 0 BHADRN C=C/C=C/CCSCc1coc(C2CC2)n1 ZINC000902435641 584596737 /nfs/dbraw/zinc/59/67/37/584596737.db2.gz KWBHMGNCPLNMHA-ONEGZZNKSA-N 0 0 235.352 3.918 20 0 BHADRN CC(C)(C)SCCCSCCOC1CC1 ZINC000902436426 584596732 /nfs/dbraw/zinc/59/67/32/584596732.db2.gz REQSXBBTMWKYNQ-UHFFFAOYSA-N 0 0 248.457 3.820 20 0 BHADRN CC(C)(C)SCCCSCc1cc[nH]n1 ZINC000902436903 584596414 /nfs/dbraw/zinc/59/64/14/584596414.db2.gz WJARSDRSZNJOKL-UHFFFAOYSA-N 0 0 244.429 3.565 20 0 BHADRN Cc1conc1CSCCCC(C)(F)F ZINC000902437284 584596453 /nfs/dbraw/zinc/59/64/53/584596453.db2.gz BQHTZDZCHSTMPW-UHFFFAOYSA-N 0 0 235.299 3.652 20 0 BHADRN CO[C@H]1C[C@@H](CSCC[C@@H]2C[C@H]2C2CC2)C1 ZINC000902437311 584596786 /nfs/dbraw/zinc/59/67/86/584596786.db2.gz CCMFJJJYORKCLQ-ZZVYKPCYSA-N 0 0 240.412 3.581 20 0 BHADRN Cc1conc1CSC1CC2(CCC2)C1 ZINC000902438601 584597135 /nfs/dbraw/zinc/59/71/35/584597135.db2.gz PZPPVYUKUMHFNB-UHFFFAOYSA-N 0 0 223.341 3.549 20 0 BHADRN Cc1conc1CSCC[C@@H]1C[C@H]1C1CC1 ZINC000902438853 584597256 /nfs/dbraw/zinc/59/72/56/584597256.db2.gz SOJGGYQTCLWEHV-NEPJUHHUSA-N 0 0 237.368 3.652 20 0 BHADRN CO[C@H]1C[C@@H](CSCCCC(C)(F)F)C1 ZINC000902439334 584597236 /nfs/dbraw/zinc/59/72/36/584597236.db2.gz YXIVAFGGLYNVRS-AOOOYVTPSA-N 0 0 238.343 3.580 20 0 BHADRN Cc1cc(CSCCCC2CC2)c(C)nn1 ZINC000902439578 584597101 /nfs/dbraw/zinc/59/71/01/584597101.db2.gz MDMLWPDUTDVVGM-UHFFFAOYSA-N 0 0 236.384 3.517 20 0 BHADRN COCc1ccccc1OCCCC(C)(F)F ZINC000902440312 584597254 /nfs/dbraw/zinc/59/72/54/584597254.db2.gz RLLSNQWCCZQXKV-UHFFFAOYSA-N 0 0 244.281 3.647 20 0 BHADRN C=C/C=C/CCSCCc1c(C)noc1C ZINC000902449861 584606300 /nfs/dbraw/zinc/60/63/00/584606300.db2.gz GLXFWAOQZGMHBM-AATRIKPKSA-N 0 0 237.368 3.699 20 0 BHADRN C=C/C=C\CCSCCc1c(C)noc1C ZINC000902449862 584606158 /nfs/dbraw/zinc/60/61/58/584606158.db2.gz GLXFWAOQZGMHBM-WAYWQWQTSA-N 0 0 237.368 3.699 20 0 BHADRN C=C/C=C/CCSCc1ncc(CC)o1 ZINC000902450535 584607019 /nfs/dbraw/zinc/60/70/19/584607019.db2.gz JOMIZHXLDOTTGG-AATRIKPKSA-N 0 0 223.341 3.603 20 0 BHADRN C=C/C=C\CCSCc1ncc(CC)o1 ZINC000902450537 584606851 /nfs/dbraw/zinc/60/68/51/584606851.db2.gz JOMIZHXLDOTTGG-WAYWQWQTSA-N 0 0 223.341 3.603 20 0 BHADRN C=C/C=C/CCSCc1nnc(C(C)C)o1 ZINC000902450650 584606549 /nfs/dbraw/zinc/60/65/49/584606549.db2.gz MHKBFRPFAXSPLA-AATRIKPKSA-N 0 0 238.356 3.559 20 0 BHADRN C=C/C=C\CCSCc1nnc(C(C)C)o1 ZINC000902450651 584606902 /nfs/dbraw/zinc/60/69/02/584606902.db2.gz MHKBFRPFAXSPLA-WAYWQWQTSA-N 0 0 238.356 3.559 20 0 BHADRN C=C/C=C\CCS[C@@H](C)c1ncc(C)o1 ZINC000902450919 584606745 /nfs/dbraw/zinc/60/67/45/584606745.db2.gz OYSGMNWHYGTETE-GZTOBOFZSA-N 0 0 223.341 3.910 20 0 BHADRN C=C/C=C\CCS[C@H](C)c1ncc(C)o1 ZINC000902450920 584607036 /nfs/dbraw/zinc/60/70/36/584607036.db2.gz OYSGMNWHYGTETE-ISALQUGTSA-N 0 0 223.341 3.910 20 0 BHADRN C=C/C=C/CCS[C@H](C)c1ncc(C)o1 ZINC000902450922 584606995 /nfs/dbraw/zinc/60/69/95/584606995.db2.gz OYSGMNWHYGTETE-MVIFTORASA-N 0 0 223.341 3.910 20 0 BHADRN C=C/C=C/CCS[C@@H](C)c1ncc(C)o1 ZINC000902450923 584606840 /nfs/dbraw/zinc/60/68/40/584606840.db2.gz OYSGMNWHYGTETE-QRGHLMKCSA-N 0 0 223.341 3.910 20 0 BHADRN C=C/C=C\CCSC1CC(CF)(CF)C1 ZINC000902451527 584607321 /nfs/dbraw/zinc/60/73/21/584607321.db2.gz DUSOMAAGDDJEIJ-ARJAWSKDSA-N 0 0 232.339 3.940 20 0 BHADRN C=C/C=C/CCSC1CC(CF)(CF)C1 ZINC000902451528 584607382 /nfs/dbraw/zinc/60/73/82/584607382.db2.gz DUSOMAAGDDJEIJ-ONEGZZNKSA-N 0 0 232.339 3.940 20 0 BHADRN C=C/C=C/CCS[C@@H](C)c1nc(CC)no1 ZINC000902452226 584607094 /nfs/dbraw/zinc/60/70/94/584607094.db2.gz XMWTVYQWSKDQOS-FGEFZZPRSA-N 0 0 238.356 3.559 20 0 BHADRN C=C/C=C\CCS[C@@H](C)c1nc(CC)no1 ZINC000902452227 584607337 /nfs/dbraw/zinc/60/73/37/584607337.db2.gz XMWTVYQWSKDQOS-GFVADAIESA-N 0 0 238.356 3.559 20 0 BHADRN C=C/C=C\CCS[C@H](C)c1nc(CC)no1 ZINC000902452228 584607452 /nfs/dbraw/zinc/60/74/52/584607452.db2.gz XMWTVYQWSKDQOS-JYESYGNLSA-N 0 0 238.356 3.559 20 0 BHADRN C=C/C=C/CCS[C@H](C)c1nc(CC)no1 ZINC000902452229 584607407 /nfs/dbraw/zinc/60/74/07/584607407.db2.gz XMWTVYQWSKDQOS-VQCYPWCPSA-N 0 0 238.356 3.559 20 0 BHADRN C=C/C=C\CCSCCc1cscn1 ZINC000902452918 584608315 /nfs/dbraw/zinc/60/83/15/584608315.db2.gz MOOYDVONRQEDMW-ARJAWSKDSA-N 0 0 225.382 3.551 20 0 BHADRN C=C/C=C/CCSCCc1cscn1 ZINC000902452919 584607871 /nfs/dbraw/zinc/60/78/71/584607871.db2.gz MOOYDVONRQEDMW-ONEGZZNKSA-N 0 0 225.382 3.551 20 0 BHADRN C=C/C=C\CCSCCc1ccns1 ZINC000902452923 584607895 /nfs/dbraw/zinc/60/78/95/584607895.db2.gz MRLDULGNNMUAAR-ARJAWSKDSA-N 0 0 225.382 3.551 20 0 BHADRN C=C/C=C/CCSCCc1ccns1 ZINC000902452925 584608214 /nfs/dbraw/zinc/60/82/14/584608214.db2.gz MRLDULGNNMUAAR-ONEGZZNKSA-N 0 0 225.382 3.551 20 0 BHADRN C=C/C=C\CCSCc1ccnc(F)c1 ZINC000902453185 584608272 /nfs/dbraw/zinc/60/82/72/584608272.db2.gz QRYZYTDLVWBECD-ARJAWSKDSA-N 0 0 223.316 3.586 20 0 BHADRN C=C/C=C/CCSCc1ccnc(F)c1 ZINC000902453186 584607772 /nfs/dbraw/zinc/60/77/72/584607772.db2.gz QRYZYTDLVWBECD-ONEGZZNKSA-N 0 0 223.316 3.586 20 0 BHADRN C=C/C=C/CCSCC[C@H]1CCCC1=O ZINC000902454183 584608968 /nfs/dbraw/zinc/60/89/68/584608968.db2.gz VXIAYDWAXMWGLA-AAOUONPWSA-N 0 0 224.369 3.611 20 0 BHADRN C=C/C=C\CCSCC[C@@H]1CCCC1=O ZINC000902454184 584608960 /nfs/dbraw/zinc/60/89/60/584608960.db2.gz VXIAYDWAXMWGLA-MVZIDQBPSA-N 0 0 224.369 3.611 20 0 BHADRN C=C/C=C/CCSCC[C@@H]1CCCC1=O ZINC000902454185 584608868 /nfs/dbraw/zinc/60/88/68/584608868.db2.gz VXIAYDWAXMWGLA-PCAWENJQSA-N 0 0 224.369 3.611 20 0 BHADRN C=C/C=C\CCSCC[C@H]1CCCC1=O ZINC000902454186 584608888 /nfs/dbraw/zinc/60/88/88/584608888.db2.gz VXIAYDWAXMWGLA-VSQXVHSFSA-N 0 0 224.369 3.611 20 0 BHADRN C=C/C=C\CCSCCc1cncs1 ZINC000902454873 584609434 /nfs/dbraw/zinc/60/94/34/584609434.db2.gz ZMHSGHGCRNVKDL-ARJAWSKDSA-N 0 0 225.382 3.551 20 0 BHADRN C=C/C=C/CCSCCc1cncs1 ZINC000902454876 584609412 /nfs/dbraw/zinc/60/94/12/584609412.db2.gz ZMHSGHGCRNVKDL-ONEGZZNKSA-N 0 0 225.382 3.551 20 0 BHADRN CC(F)(F)CCCn1cc(C2CCC2)cn1 ZINC000902489777 584628269 /nfs/dbraw/zinc/62/82/69/584628269.db2.gz OSZPYZFJEBWKHR-UHFFFAOYSA-N 0 0 228.286 3.586 20 0 BHADRN CCCCC1(C(=O)N(CC2CC2)C(C)C)CC1 ZINC000902525290 584632052 /nfs/dbraw/zinc/63/20/52/584632052.db2.gz XPCQAIRUNWTJQX-UHFFFAOYSA-N 0 0 237.387 3.604 20 0 BHADRN CC1(C)CC[C@H](SC[C@H]2C[C@]23CCOC3)C1 ZINC000902541790 584628779 /nfs/dbraw/zinc/62/87/79/584628779.db2.gz KEHKLCBBMZUADW-DYEKYZERSA-N 0 0 240.412 3.725 20 0 BHADRN CC1(C)CC[C@H](SC[C@H]2C[C@@]23CCOC3)C1 ZINC000902541791 584628842 /nfs/dbraw/zinc/62/88/42/584628842.db2.gz KEHKLCBBMZUADW-MBNYWOFBSA-N 0 0 240.412 3.725 20 0 BHADRN CC1(C)CC[C@H](SC[C@@H]2C[C@]23CCOC3)C1 ZINC000902541792 584628733 /nfs/dbraw/zinc/62/87/33/584628733.db2.gz KEHKLCBBMZUADW-OBJOEFQTSA-N 0 0 240.412 3.725 20 0 BHADRN CC1(C)CC[C@H](SC[C@@H]2C[C@@]23CCOC3)C1 ZINC000902541793 584628725 /nfs/dbraw/zinc/62/87/25/584628725.db2.gz KEHKLCBBMZUADW-SGMGOOAPSA-N 0 0 240.412 3.725 20 0 BHADRN CC(C)C[C@H](C)SC[C@@H]1C[C@]12CCOC2 ZINC000902542064 584628831 /nfs/dbraw/zinc/62/88/31/584628831.db2.gz MDCAIQFECVMUMD-AVGNSLFASA-N 0 0 228.401 3.581 20 0 BHADRN CC(C)C[C@H](C)SC[C@@H]1C[C@@]12CCOC2 ZINC000902542066 584628907 /nfs/dbraw/zinc/62/89/07/584628907.db2.gz MDCAIQFECVMUMD-RWMBFGLXSA-N 0 0 228.401 3.581 20 0 BHADRN CC(C)C[C@H](C)SC[C@H]1C[C@]12CCOC2 ZINC000902542067 584628876 /nfs/dbraw/zinc/62/88/76/584628876.db2.gz MDCAIQFECVMUMD-XQQFMLRXSA-N 0 0 228.401 3.581 20 0 BHADRN CC(C)C[C@H](C)SC[C@H]1C[C@@]12CCOC2 ZINC000902542069 584628647 /nfs/dbraw/zinc/62/86/47/584628647.db2.gz MDCAIQFECVMUMD-YNEHKIRRSA-N 0 0 228.401 3.581 20 0 BHADRN C[C@@H](CSCc1nncs1)CC(C)(C)C ZINC000902554410 584633930 /nfs/dbraw/zinc/63/39/30/584633930.db2.gz OAASWKJEUBSGHY-SECBINFHSA-N 0 0 244.429 3.844 20 0 BHADRN C[C@H](CSCc1nncs1)CC(C)(C)C ZINC000902554758 584634118 /nfs/dbraw/zinc/63/41/18/584634118.db2.gz OAASWKJEUBSGHY-VIFPVBQESA-N 0 0 244.429 3.844 20 0 BHADRN c1nnc(CSCCCC2CCCC2)s1 ZINC000902556352 584634655 /nfs/dbraw/zinc/63/46/55/584634655.db2.gz HDQRKBTZKOGJEY-UHFFFAOYSA-N 0 0 242.413 3.742 20 0 BHADRN c1nnc(CSCCC2CCCCC2)s1 ZINC000902557592 584634713 /nfs/dbraw/zinc/63/47/13/584634713.db2.gz HNSXTFZGOCAVQI-UHFFFAOYSA-N 0 0 242.413 3.742 20 0 BHADRN CC(C)SCCSCCc1ccns1 ZINC000902568042 637308473 /nfs/dbraw/zinc/30/84/73/637308473.db2.gz DSDCSKBAIRDCGB-UHFFFAOYSA-N 0 0 247.454 3.560 20 0 BHADRN CC(F)(F)CCCSCc1ccnc(F)c1 ZINC000902571819 584636125 /nfs/dbraw/zinc/63/61/25/584636125.db2.gz FXLDQFFVLOXFSG-UHFFFAOYSA-N 0 0 249.301 3.889 20 0 BHADRN CC(F)(F)CCCS[C@H]1COC(C)(C)C1 ZINC000902571986 584636166 /nfs/dbraw/zinc/63/61/66/584636166.db2.gz IEANXUDTJFILFA-SECBINFHSA-N 0 0 238.343 3.723 20 0 BHADRN CC(F)(F)CCCS[C@@H]1COC(C)(C)C1 ZINC000902572000 584636283 /nfs/dbraw/zinc/63/62/83/584636283.db2.gz IEANXUDTJFILFA-VIFPVBQESA-N 0 0 238.343 3.723 20 0 BHADRN CC(F)(F)CCCSCCc1cccnc1 ZINC000902572222 584636465 /nfs/dbraw/zinc/63/64/65/584636465.db2.gz KOSYUMJOYLPCRQ-UHFFFAOYSA-N 0 0 245.338 3.793 20 0 BHADRN c1cc(CCSC2CC3(CCC3)C2)sn1 ZINC000902572271 584636138 /nfs/dbraw/zinc/63/61/38/584636138.db2.gz LOJKCMAUVOMROD-UHFFFAOYSA-N 0 0 239.409 3.752 20 0 BHADRN CSCCCSCCCC(C)(F)F ZINC000902572580 584636966 /nfs/dbraw/zinc/63/69/66/584636966.db2.gz MEAIFMXACPDCOP-UHFFFAOYSA-N 0 0 228.373 3.908 20 0 BHADRN CSCCSCCCC(C)(F)F ZINC000902572813 584636656 /nfs/dbraw/zinc/63/66/56/584636656.db2.gz NFTDGBDLQGUGCG-UHFFFAOYSA-N 0 0 214.346 3.518 20 0 BHADRN CC(C)OCCCSCCCC(C)(F)F ZINC000902572900 584636858 /nfs/dbraw/zinc/63/68/58/584636858.db2.gz QIPBOXLVNRSVRP-UHFFFAOYSA-N 0 0 240.359 3.970 20 0 BHADRN CCOC1CC(SCCCC(C)(F)F)C1 ZINC000902572977 584636888 /nfs/dbraw/zinc/63/68/88/584636888.db2.gz SNBBPXKMYZADSP-UHFFFAOYSA-N 0 0 238.343 3.723 20 0 BHADRN CCSCCSCCCC(C)(F)F ZINC000902573048 584636787 /nfs/dbraw/zinc/63/67/87/584636787.db2.gz QMDZOFQYVUWQLO-UHFFFAOYSA-N 0 0 228.373 3.908 20 0 BHADRN CCc1cnc(CSCCCC(C)(F)F)o1 ZINC000902573141 584636911 /nfs/dbraw/zinc/63/69/11/584636911.db2.gz SRJMIQBSTWZGPP-UHFFFAOYSA-N 0 0 249.326 3.906 20 0 BHADRN CC(F)(F)CCCSCCc1ccccn1 ZINC000902573179 584636848 /nfs/dbraw/zinc/63/68/48/584636848.db2.gz UPCAOTHZOQQZAW-UHFFFAOYSA-N 0 0 245.338 3.793 20 0 BHADRN C[C@H]1OCC[C@@H]1CSCCCC(C)(F)F ZINC000902573307 584636832 /nfs/dbraw/zinc/63/68/32/584636832.db2.gz XQQTTYOFUZMTCM-NXEZZACHSA-N 0 0 238.343 3.580 20 0 BHADRN C[C@@H]1OCC[C@H]1CSCCCC(C)(F)F ZINC000902573308 584636935 /nfs/dbraw/zinc/63/69/35/584636935.db2.gz XQQTTYOFUZMTCM-UWVGGRQHSA-N 0 0 238.343 3.580 20 0 BHADRN C[C@@H]1OCC[C@@H]1CSCCCC(C)(F)F ZINC000902573310 584636700 /nfs/dbraw/zinc/63/67/00/584636700.db2.gz XQQTTYOFUZMTCM-VHSXEESVSA-N 0 0 238.343 3.580 20 0 BHADRN C[C@H]1OCC[C@H]1CSCCCC(C)(F)F ZINC000902573311 584636907 /nfs/dbraw/zinc/63/69/07/584636907.db2.gz XQQTTYOFUZMTCM-ZJUUUORDSA-N 0 0 238.343 3.580 20 0 BHADRN CC[C@@H]1C[C@H]1CSCC[C@H]1CCCC1=O ZINC000902578140 584638026 /nfs/dbraw/zinc/63/80/26/584638026.db2.gz SLXVUYWLHNSFOG-UTUOFQBUSA-N 0 0 226.385 3.525 20 0 BHADRN CC[C@@H]1C[C@H]1CSCC[C@@H]1CCCC1=O ZINC000902578141 584637993 /nfs/dbraw/zinc/63/79/93/584637993.db2.gz SLXVUYWLHNSFOG-WOPDTQHZSA-N 0 0 226.385 3.525 20 0 BHADRN CC[C@@H]1C[C@H]1CSC1CC(CF)(CF)C1 ZINC000902578504 584637841 /nfs/dbraw/zinc/63/78/41/584637841.db2.gz YVCVXRZSLOODIN-ZJUUUORDSA-N 0 0 234.355 3.854 20 0 BHADRN CC[C@@H]1C[C@H]1CS[C@@H](C)c1ncc(C)o1 ZINC000902578599 584637675 /nfs/dbraw/zinc/63/76/75/584637675.db2.gz BQKSCZZKESJTIF-AXFHLTTASA-N 0 0 225.357 3.823 20 0 BHADRN CC[C@@H]1C[C@H]1CS[C@H](C)c1ncc(C)o1 ZINC000902578600 584637670 /nfs/dbraw/zinc/63/76/70/584637670.db2.gz BQKSCZZKESJTIF-MXWKQRLJSA-N 0 0 225.357 3.823 20 0 BHADRN CC[C@@H]1C[C@H]1CSCCc1c(C)noc1C ZINC000902578630 584637724 /nfs/dbraw/zinc/63/77/24/584637724.db2.gz CPKUJYCHIXNALB-NEPJUHHUSA-N 0 0 239.384 3.613 20 0 BHADRN CCc1cnc(CSC[C@@H]2C[C@H]2CC)o1 ZINC000902579648 637310670 /nfs/dbraw/zinc/31/06/70/637310670.db2.gz OURCBCCXXRJEMJ-ZJUUUORDSA-N 0 0 225.357 3.516 20 0 BHADRN CC(F)(F)CCCn1ncc(Cl)c1C1CC1 ZINC000902580495 584638408 /nfs/dbraw/zinc/63/84/08/584638408.db2.gz WQDKGDNWGILOJG-UHFFFAOYSA-N 0 0 248.704 3.849 20 0 BHADRN FC1(F)CC(COc2ccc3cnccc3c2)C1 ZINC000902636269 584648330 /nfs/dbraw/zinc/64/83/30/584648330.db2.gz AGVVYYJFYNZIFJ-UHFFFAOYSA-N 0 0 249.260 3.659 20 0 BHADRN CC(C)SCCOc1ccc2cnccc2c1 ZINC000902637041 584648574 /nfs/dbraw/zinc/64/85/74/584648574.db2.gz GQWOWMHCUUTJPO-UHFFFAOYSA-N 0 0 247.363 3.755 20 0 BHADRN CC(=O)c1ccc(OCCCCF)cc1Cl ZINC000902683033 584655412 /nfs/dbraw/zinc/65/54/12/584655412.db2.gz VKOAFJVNNGJIFZ-UHFFFAOYSA-N 0 0 244.693 3.671 20 0 BHADRN CC(C)(C)OCCOc1cccc(C(F)F)c1 ZINC000902683140 584655411 /nfs/dbraw/zinc/65/54/11/584655411.db2.gz IGQCBWFTSVCSMJ-UHFFFAOYSA-N 0 0 244.281 3.818 20 0 BHADRN CC1(C)C[C@@H](Oc2cccc(C(F)F)c2)CO1 ZINC000902683145 584655211 /nfs/dbraw/zinc/65/52/11/584655211.db2.gz IJPJBMUKJCRNLA-LLVKDONJSA-N 0 0 242.265 3.571 20 0 BHADRN CC1(C)C[C@H](Oc2cccc(C(F)F)c2)CO1 ZINC000902683146 584655387 /nfs/dbraw/zinc/65/53/87/584655387.db2.gz IJPJBMUKJCRNLA-NSHDSACASA-N 0 0 242.265 3.571 20 0 BHADRN CCSCCOc1cccc(C(F)F)c1 ZINC000902683383 584655321 /nfs/dbraw/zinc/65/53/21/584655321.db2.gz KCAWLDMLIUEFSY-UHFFFAOYSA-N 0 0 232.295 3.756 20 0 BHADRN COC1(COc2cccc(C(F)F)c2)CCC1 ZINC000902683408 584655284 /nfs/dbraw/zinc/65/52/84/584655284.db2.gz KVTBQESSWWRWPP-UHFFFAOYSA-N 0 0 242.265 3.572 20 0 BHADRN C[C@@H]1CC[C@H](COc2cccc(C(F)F)c2)O1 ZINC000902683582 584655455 /nfs/dbraw/zinc/65/54/55/584655455.db2.gz MYIMHHKDHGJMRB-BXKDBHETSA-N 0 0 242.265 3.571 20 0 BHADRN C[C@H]1CC[C@@H](COc2cccc(C(F)F)c2)O1 ZINC000902683583 584655351 /nfs/dbraw/zinc/65/53/51/584655351.db2.gz MYIMHHKDHGJMRB-CABZTGNLSA-N 0 0 242.265 3.571 20 0 BHADRN C[C@H]1CC[C@H](COc2cccc(C(F)F)c2)O1 ZINC000902683584 584656042 /nfs/dbraw/zinc/65/60/42/584656042.db2.gz MYIMHHKDHGJMRB-JOYOIKCWSA-N 0 0 242.265 3.571 20 0 BHADRN C[C@@H]1CC[C@@H](COc2cccc(C(F)F)c2)O1 ZINC000902683585 584655953 /nfs/dbraw/zinc/65/59/53/584655953.db2.gz MYIMHHKDHGJMRB-SKDRFNHKSA-N 0 0 242.265 3.571 20 0 BHADRN FC(F)c1cccc(OCCOC2CCC2)c1 ZINC000902683639 584655658 /nfs/dbraw/zinc/65/56/58/584655658.db2.gz OTHJGFWSJOGLIF-UHFFFAOYSA-N 0 0 242.265 3.572 20 0 BHADRN CCOC1CC(Oc2cccc(C(F)F)c2)C1 ZINC000902683645 584655791 /nfs/dbraw/zinc/65/57/91/584655791.db2.gz OXOABDXZPLONTJ-UHFFFAOYSA-N 0 0 242.265 3.571 20 0 BHADRN COC(C)(C)CCOc1cccc(C(F)F)c1 ZINC000902683798 584655998 /nfs/dbraw/zinc/65/59/98/584655998.db2.gz QNZFMOXLUCXAFG-UHFFFAOYSA-N 0 0 244.281 3.818 20 0 BHADRN FC(F)c1cccc(OCC[C@H]2CCCO2)c1 ZINC000902684304 584655940 /nfs/dbraw/zinc/65/59/40/584655940.db2.gz WZLDDHLLPJUGJV-LLVKDONJSA-N 0 0 242.265 3.572 20 0 BHADRN FC(F)c1cccc(OCC[C@@H]2CCCO2)c1 ZINC000902684305 584655958 /nfs/dbraw/zinc/65/59/58/584655958.db2.gz WZLDDHLLPJUGJV-NSHDSACASA-N 0 0 242.265 3.572 20 0 BHADRN FC(F)c1cccc(OCCC(F)(F)F)c1 ZINC000902684451 584656019 /nfs/dbraw/zinc/65/60/19/584656019.db2.gz YURVHSNGQWYJEG-UHFFFAOYSA-N 0 0 240.171 3.955 20 0 BHADRN FCCCCOc1cccc(C(F)F)c1 ZINC000902684494 584655670 /nfs/dbraw/zinc/65/56/70/584655670.db2.gz ZXVOVUYMYHMCPG-UHFFFAOYSA-N 0 0 218.218 3.753 20 0 BHADRN FC(F)c1cccc(OC[C@H]2CCCCO2)c1 ZINC000902686420 584655999 /nfs/dbraw/zinc/65/59/99/584655999.db2.gz GFOIMFRAVNLOFW-GFCCVEGCSA-N 0 0 242.265 3.572 20 0 BHADRN FC(F)c1cccc(OC[C@@H]2CCCCO2)c1 ZINC000902686421 584655651 /nfs/dbraw/zinc/65/56/51/584655651.db2.gz GFOIMFRAVNLOFW-LBPRGKRZSA-N 0 0 242.265 3.572 20 0 BHADRN CSCCCOc1cccc(C(F)F)c1 ZINC000902686709 584656466 /nfs/dbraw/zinc/65/64/66/584656466.db2.gz KUOYZOFUWQGTAD-UHFFFAOYSA-N 0 0 232.295 3.756 20 0 BHADRN COCCCCCOc1cccc(C(F)F)c1 ZINC000902687030 584656336 /nfs/dbraw/zinc/65/63/36/584656336.db2.gz QVJRAPRKNHQGCC-UHFFFAOYSA-N 0 0 244.281 3.820 20 0 BHADRN OCCCCCCOc1cccc(C(F)F)c1 ZINC000902687181 584656580 /nfs/dbraw/zinc/65/65/80/584656580.db2.gz XAXLBTHJAVBDAO-UHFFFAOYSA-N 0 0 244.281 3.556 20 0 BHADRN CCc1ncc(COc2ccccc2C(C)C)o1 ZINC000902687284 584656285 /nfs/dbraw/zinc/65/62/85/584656285.db2.gz ASSBIIGBWDHKEX-UHFFFAOYSA-N 0 0 245.322 3.939 20 0 BHADRN CCc1ncc(COc2ccc(SC)cc2)o1 ZINC000902689978 584656352 /nfs/dbraw/zinc/65/63/52/584656352.db2.gz AEPJBIUHRBLVQN-UHFFFAOYSA-N 0 0 249.335 3.538 20 0 BHADRN CCCOc1ccccc1OCc1ccns1 ZINC000902690948 637325293 /nfs/dbraw/zinc/32/52/93/637325293.db2.gz ZRITXUQARVPIFN-UHFFFAOYSA-N 0 0 249.335 3.511 20 0 BHADRN CN(C(=O)C(C)(C)CC(C)(C)C)c1ccccn1 ZINC000902693948 584657135 /nfs/dbraw/zinc/65/71/35/584657135.db2.gz UIYXXDLCFWWNOR-UHFFFAOYSA-N 0 0 248.370 3.507 20 0 BHADRN Cc1ccc2cc(OCC3(C)COC3)ccc2c1 ZINC000902697490 584654872 /nfs/dbraw/zinc/65/48/72/584654872.db2.gz YPQCVRNTRPGKGW-UHFFFAOYSA-N 0 0 242.318 3.564 20 0 BHADRN CC(C)Oc1ccc(OCc2ccns2)cc1 ZINC000902713290 584657295 /nfs/dbraw/zinc/65/72/95/584657295.db2.gz LMBCGWJQXSBDSK-UHFFFAOYSA-N 0 0 249.335 3.509 20 0 BHADRN CC(C)Oc1cccc(OCc2ccns2)c1 ZINC000902722617 584660408 /nfs/dbraw/zinc/66/04/08/584660408.db2.gz ZJEIGLGFCRAJLC-UHFFFAOYSA-N 0 0 249.335 3.509 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@@]2(C)C=CCC2)c(C)c1 ZINC000902743513 584664174 /nfs/dbraw/zinc/66/41/74/584664174.db2.gz JYDIWROTSDVSMN-INIZCTEOSA-N 0 0 243.350 3.623 20 0 BHADRN Cc1ccc(N(C)C(=O)[C@]2(C)C=CCC2)c(C)c1 ZINC000902743514 584664371 /nfs/dbraw/zinc/66/43/71/584664371.db2.gz JYDIWROTSDVSMN-MRXNPFEDSA-N 0 0 243.350 3.623 20 0 BHADRN Cc1ccc(N(C)C(=O)C2(C)CC=CC2)c(C)c1 ZINC000902743851 584664049 /nfs/dbraw/zinc/66/40/49/584664049.db2.gz NJZUNEPWHAFYHR-UHFFFAOYSA-N 0 0 243.350 3.623 20 0 BHADRN CCc1ncc(COc2ccccc2SC)o1 ZINC000902752177 637331493 /nfs/dbraw/zinc/33/14/93/637331493.db2.gz FCDSPXIQYDSCHQ-UHFFFAOYSA-N 0 0 249.335 3.538 20 0 BHADRN CCc1ncc(COc2cccc(C3CC3)c2)o1 ZINC000902754637 637331272 /nfs/dbraw/zinc/33/12/72/637331272.db2.gz DCZQLCYJGYALNR-UHFFFAOYSA-N 0 0 243.306 3.693 20 0 BHADRN Cc1c[nH]nc1COCc1ccccc1C(C)C ZINC000902757028 584665226 /nfs/dbraw/zinc/66/52/26/584665226.db2.gz MEKPLPDFNVLGRE-UHFFFAOYSA-N 0 0 244.338 3.558 20 0 BHADRN CC(=O)c1cc(F)cc(OCc2ccccc2)c1 ZINC000902837486 584679602 /nfs/dbraw/zinc/67/96/02/584679602.db2.gz JAXVVIIGYCKLDS-UHFFFAOYSA-N 0 0 244.265 3.607 20 0 BHADRN CC(=O)c1cc(F)cc(OCCCCCF)c1 ZINC000902837663 584679781 /nfs/dbraw/zinc/67/97/81/584679781.db2.gz NKVDJKNVFCWONQ-UHFFFAOYSA-N 0 0 242.265 3.547 20 0 BHADRN CC(=O)c1ccc(F)c(OCCCCCF)c1 ZINC000902857870 584685947 /nfs/dbraw/zinc/68/59/47/584685947.db2.gz VXPLJCPYNZGVGV-UHFFFAOYSA-N 0 0 242.265 3.547 20 0 BHADRN FC(F)OCCOc1ccc2sccc2c1 ZINC000902861435 584686140 /nfs/dbraw/zinc/68/61/40/584686140.db2.gz MRTDUYYEKOCAOI-UHFFFAOYSA-N 0 0 244.262 3.519 20 0 BHADRN CO[C@H]1C[C@@H](COc2ccc3sccc3c2)C1 ZINC000902861436 584686343 /nfs/dbraw/zinc/68/63/43/584686343.db2.gz MSPYYQSKKMTAQP-GSJFWJNXSA-N 0 0 248.347 3.705 20 0 BHADRN c1cc2cc(OCC3CCOCC3)ccc2s1 ZINC000902861461 584686132 /nfs/dbraw/zinc/68/61/32/584686132.db2.gz NEVWAECSNOHMEM-UHFFFAOYSA-N 0 0 248.347 3.707 20 0 BHADRN FC(F)c1cccc(CN2CCC[C@@H](F)C2)c1 ZINC000902996222 584713962 /nfs/dbraw/zinc/71/39/62/584713962.db2.gz RDCXBQIJZXKKBV-GFCCVEGCSA-N 0 0 243.272 3.558 20 0 BHADRN FC(F)c1cccc(CN2CCC[C@H](F)C2)c1 ZINC000902996226 584713867 /nfs/dbraw/zinc/71/38/67/584713867.db2.gz RDCXBQIJZXKKBV-LBPRGKRZSA-N 0 0 243.272 3.558 20 0 BHADRN Cc1cc[nH]c1C(=O)N(C(C)C)C1CCCCC1 ZINC000903039691 584720042 /nfs/dbraw/zinc/72/00/42/584720042.db2.gz ZAHQSNAUEGGSPY-UHFFFAOYSA-N 0 0 248.370 3.506 20 0 BHADRN Cc1ccc(N[C@H]2CCOC23CCCC3)cc1 ZINC000903131225 637345981 /nfs/dbraw/zinc/34/59/81/637345981.db2.gz HMLQTPDPPRYYRQ-AWEZNQCLSA-N 0 0 231.339 3.509 20 0 BHADRN Cc1ccc(N[C@@H]2CCOC23CCCC3)cc1 ZINC000903131226 637345801 /nfs/dbraw/zinc/34/58/01/637345801.db2.gz HMLQTPDPPRYYRQ-CQSZACIVSA-N 0 0 231.339 3.509 20 0 BHADRN Cc1cccc(N[C@H]2CCOC23CCCC3)c1 ZINC000903131237 637347118 /nfs/dbraw/zinc/34/71/18/637347118.db2.gz HPCRKCAWSXYYAP-AWEZNQCLSA-N 0 0 231.339 3.509 20 0 BHADRN Cc1cccc(N[C@@H]2CCOC23CCCC3)c1 ZINC000903131239 637346424 /nfs/dbraw/zinc/34/64/24/637346424.db2.gz HPCRKCAWSXYYAP-CQSZACIVSA-N 0 0 231.339 3.509 20 0 BHADRN Fc1ccc(N[C@H](c2ccccn2)C2CC2)cc1 ZINC000903132650 584730551 /nfs/dbraw/zinc/73/05/51/584730551.db2.gz VBMKMQVBFNIZNU-HNNXBMFYSA-N 0 0 242.297 3.784 20 0 BHADRN Fc1ccc(N[C@@H](c2ccccn2)C2CC2)cc1 ZINC000903132651 584730344 /nfs/dbraw/zinc/73/03/44/584730344.db2.gz VBMKMQVBFNIZNU-OAHLLOKOSA-N 0 0 242.297 3.784 20 0 BHADRN Cc1cccc(N[C@H](c2ccccn2)C2CC2)c1 ZINC000903132675 584730261 /nfs/dbraw/zinc/73/02/61/584730261.db2.gz VWZDJHBCTOUCOI-INIZCTEOSA-N 0 0 238.334 3.953 20 0 BHADRN Cc1cccc(N[C@@H](c2ccccn2)C2CC2)c1 ZINC000903132676 584730536 /nfs/dbraw/zinc/73/05/36/584730536.db2.gz VWZDJHBCTOUCOI-MRXNPFEDSA-N 0 0 238.334 3.953 20 0 BHADRN Fc1cccc(N[C@H](c2ccccn2)C2CC2)c1 ZINC000903132705 584730471 /nfs/dbraw/zinc/73/04/71/584730471.db2.gz WKUAEQIGKVWAOD-HNNXBMFYSA-N 0 0 242.297 3.784 20 0 BHADRN Fc1cccc(N[C@@H](c2ccccn2)C2CC2)c1 ZINC000903132706 584730408 /nfs/dbraw/zinc/73/04/08/584730408.db2.gz WKUAEQIGKVWAOD-OAHLLOKOSA-N 0 0 242.297 3.784 20 0 BHADRN Cc1ccc(N[C@H](c2ccccn2)C2CC2)cc1 ZINC000903132825 584730406 /nfs/dbraw/zinc/73/04/06/584730406.db2.gz YXJMOLMTMQIEPJ-INIZCTEOSA-N 0 0 238.334 3.953 20 0 BHADRN Cc1ccc(N[C@@H](c2ccccn2)C2CC2)cc1 ZINC000903132826 584730393 /nfs/dbraw/zinc/73/03/93/584730393.db2.gz YXJMOLMTMQIEPJ-MRXNPFEDSA-N 0 0 238.334 3.953 20 0 BHADRN C[C@H](Nc1cc(F)cc(N(C)C)c1)c1ccoc1 ZINC000903143433 584730640 /nfs/dbraw/zinc/73/06/40/584730640.db2.gz SWPUTGQTMKVGGU-JTQLQIEISA-N 0 0 248.301 3.658 20 0 BHADRN C[C@@H](Nc1cc(F)cc(N(C)C)c1)c1ccoc1 ZINC000903143434 584730757 /nfs/dbraw/zinc/73/07/57/584730757.db2.gz SWPUTGQTMKVGGU-SNVBAGLBSA-N 0 0 248.301 3.658 20 0 BHADRN C[C@H](Nc1cc(F)cc(N(C)C)c1)c1ccco1 ZINC000903143645 584730958 /nfs/dbraw/zinc/73/09/58/584730958.db2.gz WMAWJZKTBKFOEJ-JTQLQIEISA-N 0 0 248.301 3.658 20 0 BHADRN C[C@@H](Nc1cc(F)cc(N(C)C)c1)c1ccco1 ZINC000903143646 584730741 /nfs/dbraw/zinc/73/07/41/584730741.db2.gz WMAWJZKTBKFOEJ-SNVBAGLBSA-N 0 0 248.301 3.658 20 0 BHADRN Cc1csc([C@H](C)[NH2+]CC(C)(C)C2CC2)n1 ZINC000903240292 584738138 /nfs/dbraw/zinc/73/81/38/584738138.db2.gz QMRULKCYONTVOG-JTQLQIEISA-N 0 0 238.400 3.538 20 0 BHADRN Cc1csc([C@@H](C)[NH2+]CC(C)(C)C2CC2)n1 ZINC000903240293 584738195 /nfs/dbraw/zinc/73/81/95/584738195.db2.gz QMRULKCYONTVOG-SNVBAGLBSA-N 0 0 238.400 3.538 20 0 BHADRN C[C@@H](Nc1cccc(C2CC2)n1)c1ccncc1 ZINC000903269245 584741611 /nfs/dbraw/zinc/74/16/11/584741611.db2.gz QLGQMWXUVOYRMZ-LLVKDONJSA-N 0 0 239.322 3.527 20 0 BHADRN C[C@H](Nc1cccc(C2CC2)n1)c1ccncc1 ZINC000903269246 584741807 /nfs/dbraw/zinc/74/18/07/584741807.db2.gz QLGQMWXUVOYRMZ-NSHDSACASA-N 0 0 239.322 3.527 20 0 BHADRN C[C@H](Nc1cccc(C2CC2)n1)c1ccoc1 ZINC000903269297 584741965 /nfs/dbraw/zinc/74/19/65/584741965.db2.gz RMXQTISAPRMWSA-JTQLQIEISA-N 0 0 228.295 3.725 20 0 BHADRN C[C@@H](Nc1cccc(C2CC2)n1)c1ccoc1 ZINC000903269298 584742173 /nfs/dbraw/zinc/74/21/73/584742173.db2.gz RMXQTISAPRMWSA-SNVBAGLBSA-N 0 0 228.295 3.725 20 0 BHADRN C[C@@H](Nc1cccc(C2CC2)n1)c1cncs1 ZINC000903270028 584742035 /nfs/dbraw/zinc/74/20/35/584742035.db2.gz UNNLPLBFPTWDNB-SECBINFHSA-N 0 0 245.351 3.589 20 0 BHADRN C[C@H](Nc1cccc(C2CC2)n1)c1cncs1 ZINC000903270029 584742188 /nfs/dbraw/zinc/74/21/88/584742188.db2.gz UNNLPLBFPTWDNB-VIFPVBQESA-N 0 0 245.351 3.589 20 0 BHADRN C1CC1C1(c2nc(C3CCCC3)no2)CCC1 ZINC000903275615 584742227 /nfs/dbraw/zinc/74/22/27/584742227.db2.gz ACQHJFDYPWRLNU-UHFFFAOYSA-N 0 0 232.327 3.559 20 0 BHADRN C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1ccco1 ZINC000903282130 584742819 /nfs/dbraw/zinc/74/28/19/584742819.db2.gz ALZCGHBGRQWESI-GHMZBOCLSA-N 0 0 239.384 3.604 20 0 BHADRN C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccco1 ZINC000903282131 584742977 /nfs/dbraw/zinc/74/29/77/584742977.db2.gz ALZCGHBGRQWESI-MNOVXSKESA-N 0 0 239.384 3.604 20 0 BHADRN C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccco1 ZINC000903282132 584742766 /nfs/dbraw/zinc/74/27/66/584742766.db2.gz ALZCGHBGRQWESI-QWRGUYRKSA-N 0 0 239.384 3.604 20 0 BHADRN C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1ccco1 ZINC000903282133 584742984 /nfs/dbraw/zinc/74/29/84/584742984.db2.gz ALZCGHBGRQWESI-WDEREUQCSA-N 0 0 239.384 3.604 20 0 BHADRN C1=CCC[C@@H](c2nc(C3CC3)no2)CCC1 ZINC000903285835 584741225 /nfs/dbraw/zinc/74/12/25/584741225.db2.gz VCJVDTHMTIVURI-LLVKDONJSA-N 0 0 218.300 3.551 20 0 BHADRN C1=CCC[C@H](c2nc(C3CC3)no2)CCC1 ZINC000903285836 584740976 /nfs/dbraw/zinc/74/09/76/584740976.db2.gz VCJVDTHMTIVURI-NSHDSACASA-N 0 0 218.300 3.551 20 0 BHADRN C1CC1c1noc(C2(C3CCCCC3)CC2)n1 ZINC000903285928 584741033 /nfs/dbraw/zinc/74/10/33/584741033.db2.gz XDCFKWDGQLQBPW-UHFFFAOYSA-N 0 0 232.327 3.559 20 0 BHADRN C[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1ccco1 ZINC000903334253 584751537 /nfs/dbraw/zinc/75/15/37/584751537.db2.gz YWSGOGFOHSAFEY-GHMZBOCLSA-N 0 0 243.297 3.756 20 0 BHADRN C[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1ccco1 ZINC000903334254 584751339 /nfs/dbraw/zinc/75/13/39/584751339.db2.gz YWSGOGFOHSAFEY-MNOVXSKESA-N 0 0 243.297 3.756 20 0 BHADRN C[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1ccco1 ZINC000903334255 584751329 /nfs/dbraw/zinc/75/13/29/584751329.db2.gz YWSGOGFOHSAFEY-QWRGUYRKSA-N 0 0 243.297 3.756 20 0 BHADRN C[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1ccco1 ZINC000903334256 584751182 /nfs/dbraw/zinc/75/11/82/584751182.db2.gz YWSGOGFOHSAFEY-WDEREUQCSA-N 0 0 243.297 3.756 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2cncs2)cn1 ZINC000903338046 584752006 /nfs/dbraw/zinc/75/20/06/584752006.db2.gz BCDVHCMUJRSSPT-JTQLQIEISA-N 0 0 247.367 3.835 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2cncs2)cn1 ZINC000903338047 584751796 /nfs/dbraw/zinc/75/17/96/584751796.db2.gz BCDVHCMUJRSSPT-SNVBAGLBSA-N 0 0 247.367 3.835 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2ccccn2)cn1 ZINC000903338442 584751900 /nfs/dbraw/zinc/75/19/00/584751900.db2.gz DPTHJKBTIRFZRY-GFCCVEGCSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2ccccn2)cn1 ZINC000903338443 584751901 /nfs/dbraw/zinc/75/19/01/584751901.db2.gz DPTHJKBTIRFZRY-LBPRGKRZSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1ccc(NC2CCSCC2)cn1 ZINC000903338684 584751752 /nfs/dbraw/zinc/75/17/52/584751752.db2.gz GKRGBFQTCFELKE-UHFFFAOYSA-N 0 0 236.384 3.513 20 0 BHADRN CC[C@@H]1C[C@@H](Nc2ccc(C(C)C)nc2)CCO1 ZINC000903338709 584751902 /nfs/dbraw/zinc/75/19/02/584751902.db2.gz GQIOWKJEVACOLS-GXTWGEPZSA-N 0 0 248.370 3.575 20 0 BHADRN CC[C@H]1C[C@@H](Nc2ccc(C(C)C)nc2)CCO1 ZINC000903338710 584751844 /nfs/dbraw/zinc/75/18/44/584751844.db2.gz GQIOWKJEVACOLS-JSGCOSHPSA-N 0 0 248.370 3.575 20 0 BHADRN CC[C@H]1C[C@H](Nc2ccc(C(C)C)nc2)CCO1 ZINC000903338712 584751682 /nfs/dbraw/zinc/75/16/82/584751682.db2.gz GQIOWKJEVACOLS-OCCSQVGLSA-N 0 0 248.370 3.575 20 0 BHADRN CC[C@@H]1C[C@H](Nc2ccc(C(C)C)nc2)CCO1 ZINC000903338714 584751879 /nfs/dbraw/zinc/75/18/79/584751879.db2.gz GQIOWKJEVACOLS-TZMCWYRMSA-N 0 0 248.370 3.575 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2nccs2)cn1 ZINC000903339407 584752284 /nfs/dbraw/zinc/75/22/84/584752284.db2.gz LIBZKZRDXBOSER-JTQLQIEISA-N 0 0 247.367 3.835 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2nccs2)cn1 ZINC000903339408 584752183 /nfs/dbraw/zinc/75/21/83/584752183.db2.gz LIBZKZRDXBOSER-SNVBAGLBSA-N 0 0 247.367 3.835 20 0 BHADRN CC(C)c1ccc(N[C@@H]2CCOC(C)(C)C2)cn1 ZINC000903339643 584752116 /nfs/dbraw/zinc/75/21/16/584752116.db2.gz MTVMEFWDJDAVCG-GFCCVEGCSA-N 0 0 248.370 3.575 20 0 BHADRN CC(C)c1ccc(N[C@H]2CCOC(C)(C)C2)cn1 ZINC000903339644 584752088 /nfs/dbraw/zinc/75/20/88/584752088.db2.gz MTVMEFWDJDAVCG-LBPRGKRZSA-N 0 0 248.370 3.575 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2ccoc2)cn1 ZINC000903339691 584752251 /nfs/dbraw/zinc/75/22/51/584752251.db2.gz OHJWQSVHWGFYBC-LLVKDONJSA-N 0 0 230.311 3.971 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2ccoc2)cn1 ZINC000903339692 584752345 /nfs/dbraw/zinc/75/23/45/584752345.db2.gz OHJWQSVHWGFYBC-NSHDSACASA-N 0 0 230.311 3.971 20 0 BHADRN COC1CCC(Nc2ccc(C(C)C)nc2)CC1 ZINC000903339728 584752059 /nfs/dbraw/zinc/75/20/59/584752059.db2.gz PFHBOROXHJAFLQ-UHFFFAOYSA-N 0 0 248.370 3.575 20 0 BHADRN Cc1cc([C@@H](C)Nc2ccc(C(C)C)nc2)no1 ZINC000903339959 584752139 /nfs/dbraw/zinc/75/21/39/584752139.db2.gz PZJOLTCJRTWNSW-LLVKDONJSA-N 0 0 245.326 3.675 20 0 BHADRN Cc1cc([C@H](C)Nc2ccc(C(C)C)nc2)no1 ZINC000903339960 584752299 /nfs/dbraw/zinc/75/22/99/584752299.db2.gz PZJOLTCJRTWNSW-NSHDSACASA-N 0 0 245.326 3.675 20 0 BHADRN CC(C)c1ccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000903339998 584752087 /nfs/dbraw/zinc/75/20/87/584752087.db2.gz RCNGLFCPHOJCEY-DABQJJPHSA-N 0 0 248.370 3.573 20 0 BHADRN CC(C)c1ccc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000903339999 584752324 /nfs/dbraw/zinc/75/23/24/584752324.db2.gz RCNGLFCPHOJCEY-IMRBUKKESA-N 0 0 248.370 3.573 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2cccnc2)cn1 ZINC000903340286 584752235 /nfs/dbraw/zinc/75/22/35/584752235.db2.gz SSYTZYGJPOOLRR-GFCCVEGCSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2cccnc2)cn1 ZINC000903340287 584752247 /nfs/dbraw/zinc/75/22/47/584752247.db2.gz SSYTZYGJPOOLRR-LBPRGKRZSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2ccco2)cn1 ZINC000903340350 584752217 /nfs/dbraw/zinc/75/22/17/584752217.db2.gz QJJMIESWQVCKSQ-LLVKDONJSA-N 0 0 230.311 3.971 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2ccco2)cn1 ZINC000903340352 584752209 /nfs/dbraw/zinc/75/22/09/584752209.db2.gz QJJMIESWQVCKSQ-NSHDSACASA-N 0 0 230.311 3.971 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2cscn2)cn1 ZINC000903340644 584752252 /nfs/dbraw/zinc/75/22/52/584752252.db2.gz WVRSYSWGDDVXTD-JTQLQIEISA-N 0 0 247.367 3.835 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2cscn2)cn1 ZINC000903340645 584752260 /nfs/dbraw/zinc/75/22/60/584752260.db2.gz WVRSYSWGDDVXTD-SNVBAGLBSA-N 0 0 247.367 3.835 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2ccncc2)cn1 ZINC000903340654 584752368 /nfs/dbraw/zinc/75/23/68/584752368.db2.gz XELPJZVYUXGHFR-GFCCVEGCSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2ccncc2)cn1 ZINC000903340655 584752281 /nfs/dbraw/zinc/75/22/81/584752281.db2.gz XELPJZVYUXGHFR-LBPRGKRZSA-N 0 0 241.338 3.773 20 0 BHADRN C1=CCC[C@@H](c2nc([C@@H]3CCCO3)no2)CCC1 ZINC000903366764 584756329 /nfs/dbraw/zinc/75/63/29/584756329.db2.gz WLTZJGDBVVBWBC-NEPJUHHUSA-N 0 0 248.326 3.525 20 0 BHADRN C1=CCC[C@H](c2nc([C@H]3CCCO3)no2)CCC1 ZINC000903366765 584756324 /nfs/dbraw/zinc/75/63/24/584756324.db2.gz WLTZJGDBVVBWBC-NWDGAFQWSA-N 0 0 248.326 3.525 20 0 BHADRN C1=CCC[C@H](c2nc([C@@H]3CCCO3)no2)CCC1 ZINC000903366766 584756087 /nfs/dbraw/zinc/75/60/87/584756087.db2.gz WLTZJGDBVVBWBC-RYUDHWBXSA-N 0 0 248.326 3.525 20 0 BHADRN C1=CCC[C@@H](c2nc([C@H]3CCCO3)no2)CCC1 ZINC000903366767 584756047 /nfs/dbraw/zinc/75/60/47/584756047.db2.gz WLTZJGDBVVBWBC-VXGBXAGGSA-N 0 0 248.326 3.525 20 0 BHADRN CCCCC1(C(=O)N2CCC[C@@H](C)[C@H]2C)CC1 ZINC000903590792 584785138 /nfs/dbraw/zinc/78/51/38/584785138.db2.gz ZSFSLNNANWTSAE-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC1(C(=O)N2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000903590793 584784860 /nfs/dbraw/zinc/78/48/60/584784860.db2.gz ZSFSLNNANWTSAE-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC1(C(=O)N2CCC[C@H](C)[C@H]2C)CC1 ZINC000903590794 584785086 /nfs/dbraw/zinc/78/50/86/584785086.db2.gz ZSFSLNNANWTSAE-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC1(C(=O)N2CCC[C@H](C)[C@@H]2C)CC1 ZINC000903590795 584784884 /nfs/dbraw/zinc/78/48/84/584784884.db2.gz ZSFSLNNANWTSAE-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN C[C@@H]1CCC[C@@H](C)N(C(=O)C2(C3CC3)CCC2)C1 ZINC000903606608 584784376 /nfs/dbraw/zinc/78/43/76/584784376.db2.gz LKTMTMHGQRBLIJ-CHWSQXEVSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](C)N(C(=O)C2(C3CC3)CCC2)C1 ZINC000903606609 584784398 /nfs/dbraw/zinc/78/43/98/584784398.db2.gz LKTMTMHGQRBLIJ-OLZOCXBDSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@@H]1CCC[C@H](C)CN1C(=O)C1(C2CC2)CCC1 ZINC000903606610 584784338 /nfs/dbraw/zinc/78/43/38/584784338.db2.gz LKTMTMHGQRBLIJ-QWHCGFSZSA-N 0 0 249.398 3.604 20 0 BHADRN C[C@H]1CCC[C@H](C)N(C(=O)C2(C3CC3)CCC2)C1 ZINC000903606611 584784664 /nfs/dbraw/zinc/78/46/64/584784664.db2.gz LKTMTMHGQRBLIJ-STQMWFEESA-N 0 0 249.398 3.604 20 0 BHADRN CCCCC1(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000903623657 584787766 /nfs/dbraw/zinc/78/77/66/584787766.db2.gz HHOACDOZZNYOSC-KBPBESRZSA-N 0 0 249.398 3.748 20 0 BHADRN CCCCC1(C(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000903623658 584787963 /nfs/dbraw/zinc/78/79/63/584787963.db2.gz HHOACDOZZNYOSC-KGLIPLIRSA-N 0 0 249.398 3.748 20 0 BHADRN CCCCC1(C(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000903623659 584787594 /nfs/dbraw/zinc/78/75/94/584787594.db2.gz HHOACDOZZNYOSC-UONOGXRCSA-N 0 0 249.398 3.748 20 0 BHADRN CCCCC1(C(=O)N2CCC[C@H]3CCC[C@H]32)CC1 ZINC000903623660 584787899 /nfs/dbraw/zinc/78/78/99/584787899.db2.gz HHOACDOZZNYOSC-ZIAGYGMSSA-N 0 0 249.398 3.748 20 0 BHADRN CCCCC1(C(=O)N2C3CCCC2CCC3)CC1 ZINC000903626347 584787706 /nfs/dbraw/zinc/78/77/06/584787706.db2.gz MCXCXKIWSWVWLQ-UHFFFAOYSA-N 0 0 249.398 3.890 20 0 BHADRN O=C(N1C2CCCC1CCC2)C1(C2CC2)CCC1 ZINC000903626628 584787675 /nfs/dbraw/zinc/78/76/75/584787675.db2.gz PLMZIDUPIJEGEI-UHFFFAOYSA-N 0 0 247.382 3.500 20 0 BHADRN CCCCC1(C(=O)N2C[C@H](C)CC[C@H]2C)CC1 ZINC000903671426 584788969 /nfs/dbraw/zinc/78/89/69/584788969.db2.gz KSSKYTOFXKMXQQ-CHWSQXEVSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC1(C(=O)N2C[C@H](C)CC[C@@H]2C)CC1 ZINC000903671427 584788964 /nfs/dbraw/zinc/78/89/64/584788964.db2.gz KSSKYTOFXKMXQQ-OLZOCXBDSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC1(C(=O)N2C[C@@H](C)CC[C@H]2C)CC1 ZINC000903671428 584789046 /nfs/dbraw/zinc/78/90/46/584789046.db2.gz KSSKYTOFXKMXQQ-QWHCGFSZSA-N 0 0 237.387 3.604 20 0 BHADRN CCCCC1(C(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000903671429 584789069 /nfs/dbraw/zinc/78/90/69/584789069.db2.gz KSSKYTOFXKMXQQ-STQMWFEESA-N 0 0 237.387 3.604 20 0 BHADRN CCC/C=C\c1nc(CCCCSC)no1 ZINC000903775431 584798898 /nfs/dbraw/zinc/79/88/98/584798898.db2.gz CBTDLTDSBQLGRU-UITAMQMPSA-N 0 0 240.372 3.569 20 0 BHADRN CCC/C=C/c1nc(CCCCSC)no1 ZINC000903775436 584799168 /nfs/dbraw/zinc/79/91/68/584799168.db2.gz CBTDLTDSBQLGRU-WEVVVXLNSA-N 0 0 240.372 3.569 20 0 BHADRN CC/C(C)=C\c1nc(CCCCSC)no1 ZINC000903779485 584799616 /nfs/dbraw/zinc/79/96/16/584799616.db2.gz AZAIEOZMFYZTMM-KTKRTIGZSA-N 0 0 240.372 3.569 20 0 BHADRN CC/C(C)=C/c1nc(CCCCSC)no1 ZINC000903779486 584799599 /nfs/dbraw/zinc/79/95/99/584799599.db2.gz AZAIEOZMFYZTMM-MDZDMXLPSA-N 0 0 240.372 3.569 20 0 BHADRN CCC(CC)c1nc(CCCCSC)no1 ZINC000903785098 584800140 /nfs/dbraw/zinc/80/01/40/584800140.db2.gz RHDLUWYKUNRZKD-UHFFFAOYSA-N 0 0 242.388 3.659 20 0 BHADRN CCC[C@H](C)c1nc(CCCCSC)no1 ZINC000903787829 637382458 /nfs/dbraw/zinc/38/24/58/637382458.db2.gz WUEKONWDAIPPSS-JTQLQIEISA-N 0 0 242.388 3.659 20 0 BHADRN CCC[C@@H](C)c1nc(CCCCSC)no1 ZINC000903787830 637382619 /nfs/dbraw/zinc/38/26/19/637382619.db2.gz WUEKONWDAIPPSS-SNVBAGLBSA-N 0 0 242.388 3.659 20 0 BHADRN CC/C=C(\C)c1nc(CCCCSC)no1 ZINC000903792297 584799433 /nfs/dbraw/zinc/79/94/33/584799433.db2.gz JSDXUQPYECNWNQ-JXMROGBWSA-N 0 0 240.372 3.569 20 0 BHADRN CC/C=C(/C)c1nc(CCCCSC)no1 ZINC000903792298 584799092 /nfs/dbraw/zinc/79/90/92/584799092.db2.gz JSDXUQPYECNWNQ-YFHOEESVSA-N 0 0 240.372 3.569 20 0 BHADRN CCS[C@H](C)c1noc(CCC2(C)CC2)n1 ZINC000904022217 584836768 /nfs/dbraw/zinc/83/67/68/584836768.db2.gz BROGJSUPHCXSQU-SECBINFHSA-N 0 0 240.372 3.616 20 0 BHADRN CCS[C@@H](C)c1noc(CCC2(C)CC2)n1 ZINC000904022218 584836657 /nfs/dbraw/zinc/83/66/57/584836657.db2.gz BROGJSUPHCXSQU-VIFPVBQESA-N 0 0 240.372 3.616 20 0 BHADRN CCCCC1(C(=O)Nc2ncccc2CC)CC1 ZINC000904033206 584838477 /nfs/dbraw/zinc/83/84/77/584838477.db2.gz GFZLQFFOJNENKY-UHFFFAOYSA-N 0 0 246.354 3.553 20 0 BHADRN c1cc(-c2noc([C@H]3C[C@H]4CCCC[C@H]43)n2)co1 ZINC000904049257 584839227 /nfs/dbraw/zinc/83/92/27/584839227.db2.gz ANATVRNSPOOMBF-JLLWLGSASA-N 0 0 244.294 3.623 20 0 BHADRN C[C@H](OC(=O)c1ccsc1C(F)F)C1CC1 ZINC000904086642 584840663 /nfs/dbraw/zinc/84/06/63/584840663.db2.gz MDXYQURQOSUXRO-LURJTMIESA-N 0 0 246.278 3.641 20 0 BHADRN C[C@@H](OC(=O)c1ccsc1C(F)F)C1CC1 ZINC000904086645 584840539 /nfs/dbraw/zinc/84/05/39/584840539.db2.gz MDXYQURQOSUXRO-ZCFIWIBFSA-N 0 0 246.278 3.641 20 0 BHADRN C[C@@H](c1ccco1)c1noc(CCC2(C)CC2)n1 ZINC000904111542 584841517 /nfs/dbraw/zinc/84/15/17/584841517.db2.gz WFXWHVLLFWBIST-JTQLQIEISA-N 0 0 246.310 3.547 20 0 BHADRN C[C@H](c1ccco1)c1noc(CCC2(C)CC2)n1 ZINC000904111543 584841604 /nfs/dbraw/zinc/84/16/04/584841604.db2.gz WFXWHVLLFWBIST-SNVBAGLBSA-N 0 0 246.310 3.547 20 0 BHADRN CCCCCc1nc([C@H](OCC)C(C)C)no1 ZINC000904112816 584841640 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C(=C\C1CCCC1)\c1nc(C2CCCC2)no1 ZINC000904353927 584870252 /nfs/dbraw/zinc/87/02/52/584870252.db2.gz XKGZJYNJAIKQJD-KTKRTIGZSA-N 0 0 232.327 3.931 20 0 BHADRN C(=C/C1CCCC1)\c1nc(C2CCCC2)no1 ZINC000904353928 584870134 /nfs/dbraw/zinc/87/01/34/584870134.db2.gz XKGZJYNJAIKQJD-MDZDMXLPSA-N 0 0 232.327 3.931 20 0 BHADRN CC(C)C[C@@H]1C[C@H]1c1nc(C2CCCC2)no1 ZINC000904353978 584870288 /nfs/dbraw/zinc/87/02/88/584870288.db2.gz ZFNFJKGQCSGDOA-VXGBXAGGSA-N 0 0 234.343 3.877 20 0 BHADRN C1CC1C1(c2nc(C3CCCCC3)no2)CCC1 ZINC000904356210 584871104 /nfs/dbraw/zinc/87/11/04/584871104.db2.gz HTRIBYKOMNLLBX-UHFFFAOYSA-N 0 0 246.354 3.949 20 0 BHADRN C1[C@H]2CCCC[C@@]12c1nc(C2CCCCC2)no1 ZINC000904356792 584871353 /nfs/dbraw/zinc/87/13/53/584871353.db2.gz AYCJRIZVISJGBS-IUODEOHRSA-N 0 0 246.354 3.949 20 0 BHADRN C1[C@@H]2CCCC[C@]12c1nc(C2CCCCC2)no1 ZINC000904356797 584871456 /nfs/dbraw/zinc/87/14/56/584871456.db2.gz AYCJRIZVISJGBS-WFASDCNBSA-N 0 0 246.354 3.949 20 0 BHADRN C(c1nc(C2CCCCC2)no1)[C@@H]1C[C@H]1C1CC1 ZINC000904357015 584869391 /nfs/dbraw/zinc/86/93/91/584869391.db2.gz WPYVPHACMMAAQZ-STQMWFEESA-N 0 0 246.354 3.706 20 0 BHADRN Cc1coc(-c2nc(C3CCCCC3)no2)c1 ZINC000904357016 584869576 /nfs/dbraw/zinc/86/95/76/584869576.db2.gz WQZGSEOXJFBSCJ-UHFFFAOYSA-N 0 0 232.283 3.686 20 0 BHADRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1nc(C2CCCCC2)no1 ZINC000904357230 584871926 /nfs/dbraw/zinc/87/19/26/584871926.db2.gz IVSPDTIDYCWBSD-GWNIPJSYSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1nc(C2CCCCC2)no1 ZINC000904357231 584872002 /nfs/dbraw/zinc/87/20/02/584872002.db2.gz IVSPDTIDYCWBSD-IXOXFDKPSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1nc(C2CCCCC2)no1 ZINC000904357232 584872021 /nfs/dbraw/zinc/87/20/21/584872021.db2.gz IVSPDTIDYCWBSD-LPTSXCQYSA-N 0 0 246.354 3.877 20 0 BHADRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1c1nc(C2CCCCC2)no1 ZINC000904357233 584871979 /nfs/dbraw/zinc/87/19/79/584871979.db2.gz IVSPDTIDYCWBSD-MGAJPHDKSA-N 0 0 246.354 3.877 20 0 BHADRN CC/C(C)=C\c1nc(C2CCCCC2)no1 ZINC000904357262 584871999 /nfs/dbraw/zinc/87/19/99/584871999.db2.gz KFQNHJOJKANQQE-KTKRTIGZSA-N 0 0 220.316 3.931 20 0 BHADRN CC/C(C)=C/c1nc(C2CCCCC2)no1 ZINC000904357263 584871924 /nfs/dbraw/zinc/87/19/24/584871924.db2.gz KFQNHJOJKANQQE-MDZDMXLPSA-N 0 0 220.316 3.931 20 0 BHADRN C1CC2(c3nc(C4CCCCC4)no3)CCC1C2 ZINC000904358255 584872296 /nfs/dbraw/zinc/87/22/96/584872296.db2.gz NHRDAJLLEGOGGT-UHFFFAOYSA-N 0 0 246.354 3.949 20 0 BHADRN C(=C/C1CCCCCC1)\c1nc(C2CC2)no1 ZINC000904364410 584874391 /nfs/dbraw/zinc/87/43/91/584874391.db2.gz FTBZIAJOCJQMGA-JXMROGBWSA-N 0 0 232.327 3.931 20 0 BHADRN C(=C\C1CCCCCC1)\c1nc(C2CC2)no1 ZINC000904364411 584874321 /nfs/dbraw/zinc/87/43/21/584874321.db2.gz FTBZIAJOCJQMGA-YFHOEESVSA-N 0 0 232.327 3.931 20 0 BHADRN C(CC1CCCCCC1)c1nc(C2CC2)no1 ZINC000904365240 584874821 /nfs/dbraw/zinc/87/48/21/584874821.db2.gz VSMSMRMRNYTWFQ-UHFFFAOYSA-N 0 0 234.343 3.850 20 0 BHADRN CC(C)(C)c1cccc(-c2nc(C3CC3)no2)c1 ZINC000904365268 584874723 /nfs/dbraw/zinc/87/47/23/584874723.db2.gz WUHINHRONLRDCW-UHFFFAOYSA-N 0 0 242.322 3.912 20 0 BHADRN C[C@H]1CC[C@@](C)(c2nc(C3CC3)no2)C1(C)C ZINC000904365280 584874812 /nfs/dbraw/zinc/87/48/12/584874812.db2.gz XBMDNANHLGVXIL-XPTSAGLGSA-N 0 0 234.343 3.661 20 0 BHADRN CC[C@@H](Cc1nc(C2CC2)no1)C(C)(C)C ZINC000904365519 584874769 /nfs/dbraw/zinc/87/47/69/584874769.db2.gz FTLGSEUOOUJIRN-JTQLQIEISA-N 0 0 222.332 3.562 20 0 BHADRN CC[C@H](Cc1nc(C2CC2)no1)C(C)(C)C ZINC000904365520 584874808 /nfs/dbraw/zinc/87/48/08/584874808.db2.gz FTLGSEUOOUJIRN-SNVBAGLBSA-N 0 0 222.332 3.562 20 0 BHADRN CCCc1ccc(-c2nc(C3CC3)no2)s1 ZINC000904365627 584875012 /nfs/dbraw/zinc/87/50/12/584875012.db2.gz JJTOGJDXXNIAID-UHFFFAOYSA-N 0 0 234.324 3.628 20 0 BHADRN CC/C(C)=C\c1nc(-c2ccc(F)c(C)c2)no1 ZINC000904397995 584880486 /nfs/dbraw/zinc/88/04/86/584880486.db2.gz KZQVCXLCEACPDW-CLFYSBASSA-N 0 0 246.285 3.997 20 0 BHADRN CC/C(C)=C/c1nc(-c2ccc(F)c(C)c2)no1 ZINC000904397996 584880025 /nfs/dbraw/zinc/88/00/25/584880025.db2.gz KZQVCXLCEACPDW-VQHVLOKHSA-N 0 0 246.285 3.997 20 0 BHADRN CC(C)CCCCc1nc(CC(C)C)no1 ZINC000904412948 584879964 /nfs/dbraw/zinc/87/99/64/584879964.db2.gz ANVBFTQWAURYHP-UHFFFAOYSA-N 0 0 224.348 3.637 20 0 BHADRN CC(C)Cc1noc(CC2(C)CCCCC2)n1 ZINC000904412967 584879841 /nfs/dbraw/zinc/87/98/41/584879841.db2.gz BPQYPZBJHBWGMQ-UHFFFAOYSA-N 0 0 236.359 3.781 20 0 BHADRN CC[C@@H]1CCC[C@H]1c1nc(CC(C)C)no1 ZINC000904413039 584879788 /nfs/dbraw/zinc/87/97/88/584879788.db2.gz FFTKEWSVQNJEDY-GHMZBOCLSA-N 0 0 222.332 3.562 20 0 BHADRN CC[C@@H]1CCC[C@@H]1c1nc(CC(C)C)no1 ZINC000904413040 584879521 /nfs/dbraw/zinc/87/95/21/584879521.db2.gz FFTKEWSVQNJEDY-MNOVXSKESA-N 0 0 222.332 3.562 20 0 BHADRN CC[C@H]1CCC[C@@H]1c1nc(CC(C)C)no1 ZINC000904413041 584879665 /nfs/dbraw/zinc/87/96/65/584879665.db2.gz FFTKEWSVQNJEDY-QWRGUYRKSA-N 0 0 222.332 3.562 20 0 BHADRN CC[C@H]1CCC[C@H]1c1nc(CC(C)C)no1 ZINC000904413042 584879517 /nfs/dbraw/zinc/87/95/17/584879517.db2.gz FFTKEWSVQNJEDY-WDEREUQCSA-N 0 0 222.332 3.562 20 0 BHADRN CC[C@@H](c1nc(CC(C)C)no1)c1ccccc1 ZINC000904413053 584879617 /nfs/dbraw/zinc/87/96/17/584879617.db2.gz FRWMAVJXBSYPRE-CYBMUJFWSA-N 0 0 244.338 3.810 20 0 BHADRN CC[C@H](c1nc(CC(C)C)no1)c1ccccc1 ZINC000904413054 584879503 /nfs/dbraw/zinc/87/95/03/584879503.db2.gz FRWMAVJXBSYPRE-ZDUSSCGKSA-N 0 0 244.338 3.810 20 0 BHADRN CCC1(c2nc(CC(C)C)no2)CCCCC1 ZINC000904413166 584879822 /nfs/dbraw/zinc/87/98/22/584879822.db2.gz KOVBLMUXHNUINB-UHFFFAOYSA-N 0 0 236.359 3.880 20 0 BHADRN CC(C)Cc1noc([C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000904413202 584879895 /nfs/dbraw/zinc/87/98/95/584879895.db2.gz LRUVVNFSVANBSI-GDNZZTSVSA-N 0 0 236.359 3.808 20 0 BHADRN CC(C)Cc1noc(C2C[C@H](C)C[C@@H](C)C2)n1 ZINC000904413203 584879615 /nfs/dbraw/zinc/87/96/15/584879615.db2.gz LRUVVNFSVANBSI-GHMZBOCLSA-N 0 0 236.359 3.808 20 0 BHADRN CC(C)Cc1noc(C2C[C@@H](C)C[C@H](C)C2)n1 ZINC000904413204 584879811 /nfs/dbraw/zinc/87/98/11/584879811.db2.gz LRUVVNFSVANBSI-QWRGUYRKSA-N 0 0 236.359 3.808 20 0 BHADRN CC[C@H]1CC[C@H](c2nc(CC(C)C)no2)CC1 ZINC000904413244 584879962 /nfs/dbraw/zinc/87/99/62/584879962.db2.gz MYARPVPJUJPFPW-HAQNSBGRSA-N 0 0 236.359 3.952 20 0 BHADRN CC(C)Cc1noc(C2=CCC(C)(C)CC2)n1 ZINC000904413253 584879911 /nfs/dbraw/zinc/87/99/11/584879911.db2.gz NPOLJJYLKJURJP-UHFFFAOYSA-N 0 0 234.343 3.862 20 0 BHADRN CC[C@H](CC(C)C)c1nc(CC(C)C)no1 ZINC000904413274 584879670 /nfs/dbraw/zinc/87/96/70/584879670.db2.gz ORVZBYFZRFXVLW-LLVKDONJSA-N 0 0 224.348 3.808 20 0 BHADRN CC[C@@H](CC(C)C)c1nc(CC(C)C)no1 ZINC000904413275 584879577 /nfs/dbraw/zinc/87/95/77/584879577.db2.gz ORVZBYFZRFXVLW-NSHDSACASA-N 0 0 224.348 3.808 20 0 BHADRN CC(C)Cc1noc(C2CC(C(C)(C)C)C2)n1 ZINC000904413276 584879880 /nfs/dbraw/zinc/87/98/80/584879880.db2.gz OSBVZERZTXJAKJ-UHFFFAOYSA-N 0 0 236.359 3.808 20 0 BHADRN CCCC(CCC)c1nc(CC(C)C)no1 ZINC000904413318 584879979 /nfs/dbraw/zinc/87/99/79/584879979.db2.gz QCNZXGJNRBLCBU-UHFFFAOYSA-N 0 0 224.348 3.952 20 0 BHADRN CC(C)Cc1noc(C2(C)CCCCCC2)n1 ZINC000904413333 584879701 /nfs/dbraw/zinc/87/97/01/584879701.db2.gz QSQPYLNUTZVBPH-UHFFFAOYSA-N 0 0 236.359 3.880 20 0 BHADRN CC(C)Cc1noc([C@@H]2CCCC[C@H]2C)n1 ZINC000904413451 584879602 /nfs/dbraw/zinc/87/96/02/584879602.db2.gz RLLMEYLSOKKNRK-GHMZBOCLSA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)Cc1noc([C@H]2CCCC[C@H]2C)n1 ZINC000904413452 584879878 /nfs/dbraw/zinc/87/98/78/584879878.db2.gz RLLMEYLSOKKNRK-MNOVXSKESA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)Cc1noc([C@H]2CCCC[C@@H]2C)n1 ZINC000904413453 584879775 /nfs/dbraw/zinc/87/97/75/584879775.db2.gz RLLMEYLSOKKNRK-QWRGUYRKSA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)Cc1noc([C@@H]2CCCC[C@@H]2C)n1 ZINC000904413454 584879640 /nfs/dbraw/zinc/87/96/40/584879640.db2.gz RLLMEYLSOKKNRK-WDEREUQCSA-N 0 0 222.332 3.562 20 0 BHADRN CCC[C@@H]1CCC[C@@H]1c1nc(CC(C)C)no1 ZINC000904413469 584879585 /nfs/dbraw/zinc/87/95/85/584879585.db2.gz SBEHLNQZTVVERF-NEPJUHHUSA-N 0 0 236.359 3.952 20 0 BHADRN CCC[C@H]1CCC[C@H]1c1nc(CC(C)C)no1 ZINC000904413470 584879902 /nfs/dbraw/zinc/87/99/02/584879902.db2.gz SBEHLNQZTVVERF-NWDGAFQWSA-N 0 0 236.359 3.952 20 0 BHADRN CCC[C@H]1CCC[C@@H]1c1nc(CC(C)C)no1 ZINC000904413471 584879931 /nfs/dbraw/zinc/87/99/31/584879931.db2.gz SBEHLNQZTVVERF-RYUDHWBXSA-N 0 0 236.359 3.952 20 0 BHADRN CCC[C@@H]1CCC[C@H]1c1nc(CC(C)C)no1 ZINC000904413472 584879759 /nfs/dbraw/zinc/87/97/59/584879759.db2.gz SBEHLNQZTVVERF-VXGBXAGGSA-N 0 0 236.359 3.952 20 0 BHADRN CCCC[C@@H](CC)c1nc(CC(C)C)no1 ZINC000904413480 584879471 /nfs/dbraw/zinc/87/94/71/584879471.db2.gz SJBYMTZCIVROKT-LLVKDONJSA-N 0 0 224.348 3.952 20 0 BHADRN CCCC[C@H](CC)c1nc(CC(C)C)no1 ZINC000904413481 584879718 /nfs/dbraw/zinc/87/97/18/584879718.db2.gz SJBYMTZCIVROKT-NSHDSACASA-N 0 0 224.348 3.952 20 0 BHADRN CC(C)Cc1noc(C2CCC(C)(C)CC2)n1 ZINC000904413520 584879684 /nfs/dbraw/zinc/87/96/84/584879684.db2.gz UVLVCFBAAODKCJ-UHFFFAOYSA-N 0 0 236.359 3.952 20 0 BHADRN CC[C@@H]1CCCC[C@@H]1c1nc(CC(C)C)no1 ZINC000904413600 584879748 /nfs/dbraw/zinc/87/97/48/584879748.db2.gz XQIPHUAJWDCCFQ-NEPJUHHUSA-N 0 0 236.359 3.952 20 0 BHADRN CC[C@H]1CCCC[C@H]1c1nc(CC(C)C)no1 ZINC000904413601 584879803 /nfs/dbraw/zinc/87/98/03/584879803.db2.gz XQIPHUAJWDCCFQ-NWDGAFQWSA-N 0 0 236.359 3.952 20 0 BHADRN CC[C@H]1CCCC[C@@H]1c1nc(CC(C)C)no1 ZINC000904413602 584879574 /nfs/dbraw/zinc/87/95/74/584879574.db2.gz XQIPHUAJWDCCFQ-RYUDHWBXSA-N 0 0 236.359 3.952 20 0 BHADRN CC[C@@H]1CCCC[C@H]1c1nc(CC(C)C)no1 ZINC000904413603 584879676 /nfs/dbraw/zinc/87/96/76/584879676.db2.gz XQIPHUAJWDCCFQ-VXGBXAGGSA-N 0 0 236.359 3.952 20 0 BHADRN CCC[C@@H](c1nc(CC(C)C)no1)C(C)C ZINC000904413624 584879652 /nfs/dbraw/zinc/87/96/52/584879652.db2.gz YOSFLGXUAKGHDN-LLVKDONJSA-N 0 0 224.348 3.808 20 0 BHADRN CCC[C@H](c1nc(CC(C)C)no1)C(C)C ZINC000904413625 584879892 /nfs/dbraw/zinc/87/98/92/584879892.db2.gz YOSFLGXUAKGHDN-NSHDSACASA-N 0 0 224.348 3.808 20 0 BHADRN CC(C)Cc1noc([C@@H]2CCCC(C)(C)C2)n1 ZINC000904413639 584879575 /nfs/dbraw/zinc/87/95/75/584879575.db2.gz ZDHFJKLKAHEUNH-LLVKDONJSA-N 0 0 236.359 3.952 20 0 BHADRN CC(C)Cc1noc([C@H]2CCCC(C)(C)C2)n1 ZINC000904413640 584879876 /nfs/dbraw/zinc/87/98/76/584879876.db2.gz ZDHFJKLKAHEUNH-NSHDSACASA-N 0 0 236.359 3.952 20 0 BHADRN CC(C)Cc1noc([C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000904413663 584879737 /nfs/dbraw/zinc/87/97/37/584879737.db2.gz ZTSPEMHUEHMLRX-GRYCIOLGSA-N 0 0 236.359 3.808 20 0 BHADRN CC(C)Cc1noc([C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC000904413664 584879889 /nfs/dbraw/zinc/87/98/89/584879889.db2.gz ZTSPEMHUEHMLRX-IJLUTSLNSA-N 0 0 236.359 3.808 20 0 BHADRN CC(C)Cc1noc([C@@H]2CC[C@H](C)[C@H](C)C2)n1 ZINC000904413666 584879504 /nfs/dbraw/zinc/87/95/04/584879504.db2.gz ZTSPEMHUEHMLRX-QJPTWQEYSA-N 0 0 236.359 3.808 20 0 BHADRN CC(C)Cc1noc([C@@H]2CC[C@H](C)[C@@H](C)C2)n1 ZINC000904413667 584879753 /nfs/dbraw/zinc/87/97/53/584879753.db2.gz ZTSPEMHUEHMLRX-SDDRHHMPSA-N 0 0 236.359 3.808 20 0 BHADRN CC[C@@H]1CCC[C@@]1(C)c1nc(CC(C)C)no1 ZINC000904414065 584879589 /nfs/dbraw/zinc/87/95/89/584879589.db2.gz DKEUTDKXXKISBO-BXUZGUMPSA-N 0 0 236.359 3.736 20 0 BHADRN CC[C@H]1CCC[C@]1(C)c1nc(CC(C)C)no1 ZINC000904414066 584879764 /nfs/dbraw/zinc/87/97/64/584879764.db2.gz DKEUTDKXXKISBO-FZMZJTMJSA-N 0 0 236.359 3.736 20 0 BHADRN CC[C@@H]1CCC[C@]1(C)c1nc(CC(C)C)no1 ZINC000904414067 584879516 /nfs/dbraw/zinc/87/95/16/584879516.db2.gz DKEUTDKXXKISBO-RISCZKNCSA-N 0 0 236.359 3.736 20 0 BHADRN CC[C@H]1CCC[C@@]1(C)c1nc(CC(C)C)no1 ZINC000904414068 584879579 /nfs/dbraw/zinc/87/95/79/584879579.db2.gz DKEUTDKXXKISBO-SMDDNHRTSA-N 0 0 236.359 3.736 20 0 BHADRN CC[C@H](Cc1nc(CC(C)C)no1)C(C)(C)C ZINC000904414080 584879839 /nfs/dbraw/zinc/87/98/39/584879839.db2.gz DYWKOMVTDHRZPD-LLVKDONJSA-N 0 0 238.375 3.883 20 0 BHADRN CC[C@@H](Cc1nc(CC(C)C)no1)C(C)(C)C ZINC000904414081 584880427 /nfs/dbraw/zinc/88/04/27/584880427.db2.gz DYWKOMVTDHRZPD-NSHDSACASA-N 0 0 238.375 3.883 20 0 BHADRN CC(C)Cc1noc(-c2ccc(C3CC3)cc2)n1 ZINC000904414119 584880304 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MWNUDTKRTZWSRR-JTQLQIEISA-N 0 0 210.321 3.562 20 0 BHADRN CCC[C@@H](CC)c1nc(CC(C)C)no1 ZINC000904414614 584880403 /nfs/dbraw/zinc/88/04/03/584880403.db2.gz MWNUDTKRTZWSRR-SNVBAGLBSA-N 0 0 210.321 3.562 20 0 BHADRN CC(C)Cc1noc([C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000904414629 584880627 /nfs/dbraw/zinc/88/06/27/584880627.db2.gz NGAZXPLDVXHPHZ-IMRBUKKESA-N 0 0 248.370 3.952 20 0 BHADRN CC(C)Cc1noc(C2[C@H]3CCCCCC[C@H]23)n1 ZINC000904414630 584880368 /nfs/dbraw/zinc/88/03/68/584880368.db2.gz NGAZXPLDVXHPHZ-RYUDHWBXSA-N 0 0 248.370 3.952 20 0 BHADRN CC(C)Cc1noc(C2[C@@H]3CCCCCC[C@@H]23)n1 ZINC000904414631 584880645 /nfs/dbraw/zinc/88/06/45/584880645.db2.gz NGAZXPLDVXHPHZ-VXGBXAGGSA-N 0 0 248.370 3.952 20 0 BHADRN CC(C)Cc1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000904414645 584880655 /nfs/dbraw/zinc/88/06/55/584880655.db2.gz NYDLPSCEBPGOIM-WDEREUQCSA-N 0 0 236.359 3.808 20 0 BHADRN CC(C)Cc1noc(-c2cscc2Cl)n1 ZINC000904414673 584880653 /nfs/dbraw/zinc/88/06/53/584880653.db2.gz PLNVLRRBAXBGHX-UHFFFAOYSA-N 0 0 242.731 3.650 20 0 BHADRN Cc1cc(C)c(-c2nc(CC(C)C)no2)s1 ZINC000904414687 584880628 /nfs/dbraw/zinc/88/06/28/584880628.db2.gz PYYMHRLODCXLRP-UHFFFAOYSA-N 0 0 236.340 3.613 20 0 BHADRN CC(C)Cc1noc([C@H]2CC[C@H](C)CC2)n1 ZINC000904414710 584880532 /nfs/dbraw/zinc/88/05/32/584880532.db2.gz QVWIVUPBGKPKAU-XYPYZODXSA-N 0 0 222.332 3.562 20 0 BHADRN CC(C)Cc1noc([C@@H]2CCC=CCCC2)n1 ZINC000904414712 584880305 /nfs/dbraw/zinc/88/03/05/584880305.db2.gz QZCLHVDHDFUFFB-GFCCVEGCSA-N 0 0 234.343 3.872 20 0 BHADRN CC(C)Cc1noc([C@H]2CCC=CCCC2)n1 ZINC000904414713 584880330 /nfs/dbraw/zinc/88/03/30/584880330.db2.gz QZCLHVDHDFUFFB-LBPRGKRZSA-N 0 0 234.343 3.872 20 0 BHADRN CCc1ccc(F)cc1-c1nc(CC(C)C)no1 ZINC000904414807 584880633 /nfs/dbraw/zinc/88/06/33/584880633.db2.gz VCFZDABCDMQXER-UHFFFAOYSA-N 0 0 248.301 3.637 20 0 BHADRN CC(C)Cc1noc([C@@H]2CCCC[C@@H]2C2CC2)n1 ZINC000904414825 584880258 /nfs/dbraw/zinc/88/02/58/584880258.db2.gz VMLUQMZKKARSOO-CHWSQXEVSA-N 0 0 248.370 3.952 20 0 BHADRN CC(C)Cc1noc([C@H]2CCCC[C@@H]2C2CC2)n1 ZINC000904414826 584880271 /nfs/dbraw/zinc/88/02/71/584880271.db2.gz VMLUQMZKKARSOO-OLZOCXBDSA-N 0 0 248.370 3.952 20 0 BHADRN CC(C)Cc1noc([C@@H]2CCCC[C@H]2C2CC2)n1 ZINC000904414827 584880112 /nfs/dbraw/zinc/88/01/12/584880112.db2.gz VMLUQMZKKARSOO-QWHCGFSZSA-N 0 0 248.370 3.952 20 0 BHADRN CC(C)Cc1noc([C@H]2CCCC[C@H]2C2CC2)n1 ZINC000904414828 584880564 /nfs/dbraw/zinc/88/05/64/584880564.db2.gz VMLUQMZKKARSOO-STQMWFEESA-N 0 0 248.370 3.952 20 0 BHADRN CC1=CC[C@](C)(c2nc(CC(C)C)no2)CC1 ZINC000904414876 584880171 /nfs/dbraw/zinc/88/01/71/584880171.db2.gz XPTHNPJABJDZBR-AWEZNQCLSA-N 0 0 234.343 3.656 20 0 BHADRN CC1=CC[C@@](C)(c2nc(CC(C)C)no2)CC1 ZINC000904414877 584880259 /nfs/dbraw/zinc/88/02/59/584880259.db2.gz XPTHNPJABJDZBR-CQSZACIVSA-N 0 0 234.343 3.656 20 0 BHADRN FC(=C1CCC1)c1nc(-c2cccc(F)c2)no1 ZINC000904534203 637434226 /nfs/dbraw/zinc/43/42/26/637434226.db2.gz DZMGHCRBTWYJRD-UHFFFAOYSA-N 0 0 248.232 3.740 20 0 BHADRN CCCC(C)(C)c1nc(-c2cccc(F)c2)no1 ZINC000904535340 637433737 /nfs/dbraw/zinc/43/37/37/637433737.db2.gz UWQZPWSPSJIUBA-UHFFFAOYSA-N 0 0 248.301 3.953 20 0 BHADRN CC1(C)CC[C@@H]1c1nc(-c2cccc(F)c2)no1 ZINC000904535585 637434599 /nfs/dbraw/zinc/43/45/99/637434599.db2.gz YODLHOIGNRUMCG-LLVKDONJSA-N 0 0 246.285 3.779 20 0 BHADRN CC1(C)CC[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC000904535586 637434119 /nfs/dbraw/zinc/43/41/19/637434119.db2.gz YODLHOIGNRUMCG-NSHDSACASA-N 0 0 246.285 3.779 20 0 BHADRN CC(C)CCCc1nc(-c2cccc(F)c2)no1 ZINC000904539309 637433792 /nfs/dbraw/zinc/43/37/92/637433792.db2.gz OSYNWQQDLQVCJK-UHFFFAOYSA-N 0 0 248.301 3.854 20 0 BHADRN CC[C@H](C)CCc1nc(-c2cccc(F)c2)no1 ZINC000904540052 637434475 /nfs/dbraw/zinc/43/44/75/637434475.db2.gz SWPRAXQMPRXMTB-JTQLQIEISA-N 0 0 248.301 3.854 20 0 BHADRN CC[C@@H](C)CCc1nc(-c2cccc(F)c2)no1 ZINC000904540053 637433692 /nfs/dbraw/zinc/43/36/92/637433692.db2.gz SWPRAXQMPRXMTB-SNVBAGLBSA-N 0 0 248.301 3.854 20 0 BHADRN CCC(CC)Cc1nc(-c2cccc(F)c2)no1 ZINC000904540266 637433469 /nfs/dbraw/zinc/43/34/69/637433469.db2.gz WVBVJHYQSZXQJH-UHFFFAOYSA-N 0 0 248.301 3.854 20 0 BHADRN CC/C(C)=C\c1nc(-c2cccc(F)c2)no1 ZINC000904540727 637434086 /nfs/dbraw/zinc/43/40/86/637434086.db2.gz ZZBQVJSBOOGGAT-CLFYSBASSA-N 0 0 232.258 3.689 20 0 BHADRN CC/C(C)=C/c1nc(-c2cccc(F)c2)no1 ZINC000904540729 637434267 /nfs/dbraw/zinc/43/42/67/637434267.db2.gz ZZBQVJSBOOGGAT-VQHVLOKHSA-N 0 0 232.258 3.689 20 0 BHADRN Cc1coc(-c2nc(-c3ccccc3C)no2)c1 ZINC000904561925 637440969 /nfs/dbraw/zinc/44/09/69/637440969.db2.gz RZESLEMRVVOZRT-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN Cc1cocc1-c1nc(-c2ccccc2C)no1 ZINC000904565653 637441051 /nfs/dbraw/zinc/44/10/51/637441051.db2.gz WKQYXIXMVIQASQ-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN Cc1ccccc1-c1noc([C@H]2CCC2(C)C)n1 ZINC000904565686 637441312 /nfs/dbraw/zinc/44/13/12/637441312.db2.gz WZTHRJZSHMWSTQ-GFCCVEGCSA-N 0 0 242.322 3.949 20 0 BHADRN Cc1ccccc1-c1noc([C@@H]2CCC2(C)C)n1 ZINC000904565688 637440578 /nfs/dbraw/zinc/44/05/78/637440578.db2.gz WZTHRJZSHMWSTQ-LBPRGKRZSA-N 0 0 242.322 3.949 20 0 BHADRN Cc1ccc(-c2noc([C@H]3CCC3(C)C)n2)cc1 ZINC000904568345 637441594 /nfs/dbraw/zinc/44/15/94/637441594.db2.gz CGUIAYLNDZOZBC-GFCCVEGCSA-N 0 0 242.322 3.949 20 0 BHADRN Cc1ccc(-c2noc([C@@H]3CCC3(C)C)n2)cc1 ZINC000904568349 637440947 /nfs/dbraw/zinc/44/09/47/637440947.db2.gz CGUIAYLNDZOZBC-LBPRGKRZSA-N 0 0 242.322 3.949 20 0 BHADRN Cc1coc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000904569555 637441292 /nfs/dbraw/zinc/44/12/92/637441292.db2.gz JQTNVQYYVKOREJ-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN Cc1cocc1-c1nc(-c2ccc(C)cc2)no1 ZINC000904569775 637441669 /nfs/dbraw/zinc/44/16/69/637441669.db2.gz MSFRHGFUFVOWQV-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN Clc1ccccc1-c1noc(/C=C/C2CC2)n1 ZINC000904570771 637441274 /nfs/dbraw/zinc/44/12/74/637441274.db2.gz SUWBXKKIMNPDKL-BQYQJAHWSA-N 0 0 246.697 3.813 20 0 BHADRN Clc1ccccc1-c1noc(/C=C\C2CC2)n1 ZINC000904570773 637441538 /nfs/dbraw/zinc/44/15/38/637441538.db2.gz SUWBXKKIMNPDKL-FPLPWBNLSA-N 0 0 246.697 3.813 20 0 BHADRN Cc1ccc(-c2noc(C(C)(C)C(C)C)n2)cc1 ZINC000904571338 637440546 /nfs/dbraw/zinc/44/05/46/637440546.db2.gz DBHFWGIVOGNPAT-UHFFFAOYSA-N 0 0 244.338 3.979 20 0 BHADRN Cc1ccc(-c2noc([C@H](C)C3CCC3)n2)cc1 ZINC000904571342 637441040 /nfs/dbraw/zinc/44/10/40/637441040.db2.gz DGASIXFNSSGVLR-LLVKDONJSA-N 0 0 242.322 3.949 20 0 BHADRN Cc1ccc(-c2noc([C@@H](C)C3CCC3)n2)cc1 ZINC000904571343 637441372 /nfs/dbraw/zinc/44/13/72/637441372.db2.gz DGASIXFNSSGVLR-NSHDSACASA-N 0 0 242.322 3.949 20 0 BHADRN CC/C(C)=C\c1nc(-c2ccc(C)cc2)no1 ZINC000904572471 637440621 /nfs/dbraw/zinc/44/06/21/637440621.db2.gz SPMXTGLXEKQJMA-KTKRTIGZSA-N 0 0 228.295 3.858 20 0 BHADRN CC/C(C)=C/c1nc(-c2ccc(C)cc2)no1 ZINC000904572472 637441162 /nfs/dbraw/zinc/44/11/62/637441162.db2.gz SPMXTGLXEKQJMA-MDZDMXLPSA-N 0 0 228.295 3.858 20 0 BHADRN CCc1ccc(-c2noc(/C=C/C3CC3)n2)cc1 ZINC000904573663 637441821 /nfs/dbraw/zinc/44/18/21/637441821.db2.gz BLKAKPZUEYQUJN-JXMROGBWSA-N 0 0 240.306 3.722 20 0 BHADRN CCc1ccc(-c2noc(/C=C\C3CC3)n2)cc1 ZINC000904573664 637441940 /nfs/dbraw/zinc/44/19/40/637441940.db2.gz BLKAKPZUEYQUJN-YFHOEESVSA-N 0 0 240.306 3.722 20 0 BHADRN CCc1ccc(-c2noc(C[C@H](C)CC)n2)cc1 ZINC000904575449 637441143 /nfs/dbraw/zinc/44/11/43/637441143.db2.gz IQEYBOTXACLPOD-LLVKDONJSA-N 0 0 244.338 3.888 20 0 BHADRN CCc1ccc(-c2noc(C[C@@H](C)CC)n2)cc1 ZINC000904575453 637440678 /nfs/dbraw/zinc/44/06/78/637440678.db2.gz IQEYBOTXACLPOD-NSHDSACASA-N 0 0 244.338 3.888 20 0 BHADRN CCc1ccc(-c2noc([C@@H]3C[C@H]3CC)n2)cc1 ZINC000904576549 637441194 /nfs/dbraw/zinc/44/11/94/637441194.db2.gz OBBPXBPLMVGFFZ-DGCLKSJQSA-N 0 0 242.322 3.813 20 0 BHADRN CCc1ccc(-c2noc(C(C)(C)CC)n2)cc1 ZINC000904576588 637441048 /nfs/dbraw/zinc/44/10/48/637441048.db2.gz PFJRQOXTCPFBIL-UHFFFAOYSA-N 0 0 244.338 3.987 20 0 BHADRN CCc1ccc(-c2noc([C@H]3CC3(C)C)n2)cc1 ZINC000904577445 637435738 /nfs/dbraw/zinc/43/57/38/637435738.db2.gz XOABWTQQZBOVSV-GFCCVEGCSA-N 0 0 242.322 3.813 20 0 BHADRN CCc1ccc(-c2noc([C@@H]3CC3(C)C)n2)cc1 ZINC000904577447 637436166 /nfs/dbraw/zinc/43/61/66/637436166.db2.gz XOABWTQQZBOVSV-LBPRGKRZSA-N 0 0 242.322 3.813 20 0 BHADRN C/C(=C\C1CCC(C)CC1)c1nc(C)no1 ZINC000904578148 637435075 /nfs/dbraw/zinc/43/50/75/637435075.db2.gz APSSAGFQUKRBFF-CSKARUKUSA-N 0 0 220.316 3.608 20 0 BHADRN C/C(=C/C1CCC(C)CC1)c1nc(C)no1 ZINC000904578149 637436137 /nfs/dbraw/zinc/43/61/37/637436137.db2.gz APSSAGFQUKRBFF-NTMALXAHSA-N 0 0 220.316 3.608 20 0 BHADRN CCCc1ccc(CCCc2nc(C)no2)cc1 ZINC000904578799 637437010 /nfs/dbraw/zinc/43/70/10/637437010.db2.gz HKCKAQXTVUTVLA-UHFFFAOYSA-N 0 0 244.338 3.506 20 0 BHADRN Cc1noc(-c2cc(-c3ccccc3)oc2C)n1 ZINC000904578840 637436217 /nfs/dbraw/zinc/43/62/17/637436217.db2.gz GNPFUGWGYWJOBE-UHFFFAOYSA-N 0 0 240.262 3.613 20 0 BHADRN CC[C@H](CC1CCCCC1)c1nc(C)no1 ZINC000904578885 637437136 /nfs/dbraw/zinc/43/71/36/637437136.db2.gz 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BHADRN CCCn1nc(C)c(/C=C/c2nccs2)c1C ZINC000905071292 637604022 /nfs/dbraw/zinc/60/40/22/637604022.db2.gz FFVONXYEKWEHBQ-AATRIKPKSA-N 0 0 247.367 3.537 20 0 BHADRN CCCn1nc(C)c(/C=C\c2nccs2)c1C ZINC000905071294 637602965 /nfs/dbraw/zinc/60/29/65/637602965.db2.gz FFVONXYEKWEHBQ-WAYWQWQTSA-N 0 0 247.367 3.537 20 0 BHADRN C(=C\c1scnc1C1CC1)\c1nccs1 ZINC000905071754 637603126 /nfs/dbraw/zinc/60/31/26/637603126.db2.gz IIUDWKVKBAIUFN-ARJAWSKDSA-N 0 0 234.349 3.647 20 0 BHADRN C(=C/c1scnc1C1CC1)\c1nccs1 ZINC000905071755 637603949 /nfs/dbraw/zinc/60/39/49/637603949.db2.gz IIUDWKVKBAIUFN-ONEGZZNKSA-N 0 0 234.349 3.647 20 0 BHADRN C(=C/c1nc2c(s1)CCCC2)\c1nccs1 ZINC000905074838 637606721 /nfs/dbraw/zinc/60/67/21/637606721.db2.gz YZKNOYFNKKBNAF-AATRIKPKSA-N 0 0 248.376 3.649 20 0 BHADRN C(=C\c1nc2c(s1)CCCC2)\c1nccs1 ZINC000905074839 637605101 /nfs/dbraw/zinc/60/51/01/637605101.db2.gz YZKNOYFNKKBNAF-WAYWQWQTSA-N 0 0 248.376 3.649 20 0 BHADRN CC1CCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC000905074854 637605815 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3.524 20 0 BHADRN C[C@@H]1CCCCN1C(=O)[C@H]1CCC=CCCC1 ZINC000905090600 637589066 /nfs/dbraw/zinc/58/90/66/637589066.db2.gz YCSRBABFISWPGG-KGLIPLIRSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@H]1CCCCN1C(=O)[C@@H]1CCC=CCCC1 ZINC000905090601 637587217 /nfs/dbraw/zinc/58/72/17/637587217.db2.gz YCSRBABFISWPGG-UONOGXRCSA-N 0 0 235.371 3.524 20 0 BHADRN C[C@@H]1CCCCN1C(=O)[C@@H]1CCC=CCCC1 ZINC000905090602 637588041 /nfs/dbraw/zinc/58/80/41/637588041.db2.gz YCSRBABFISWPGG-ZIAGYGMSSA-N 0 0 235.371 3.524 20 0 BHADRN CC(F)(F)CCCOc1cccc2ncoc21 ZINC000905101033 637610120 /nfs/dbraw/zinc/61/01/20/637610120.db2.gz IKLMKFHNZDGDGK-UHFFFAOYSA-N 0 0 241.237 3.642 20 0 BHADRN CCc1cccc(C)c1NCc1oc(C)nc1C ZINC000905102553 637611644 /nfs/dbraw/zinc/61/16/44/637611644.db2.gz MFJXCBFWVFBYOB-UHFFFAOYSA-N 0 0 244.338 3.774 20 0 BHADRN COCCNc1ccc(C)c(-c2ccsc2)c1 ZINC000905108575 637615191 /nfs/dbraw/zinc/61/51/91/637615191.db2.gz PITZMHVMBFIOIT-UHFFFAOYSA-N 0 0 247.363 3.782 20 0 BHADRN O=C(NCc1cccs1)[C@@H]1CCC=CCCC1 ZINC000905117892 637623041 /nfs/dbraw/zinc/62/30/41/637623041.db2.gz FUXLTKCWVMKOBA-GFCCVEGCSA-N 0 0 249.379 3.501 20 0 BHADRN O=C(NCc1cccs1)[C@H]1CCC=CCCC1 ZINC000905117893 637621889 /nfs/dbraw/zinc/62/18/89/637621889.db2.gz FUXLTKCWVMKOBA-LBPRGKRZSA-N 0 0 249.379 3.501 20 0 BHADRN Cc1cc(F)ccc1NC(=O)C1(C2CC2)CCC1 ZINC000905121462 637627167 /nfs/dbraw/zinc/62/71/67/637627167.db2.gz WXKHVGBLOYHQCS-UHFFFAOYSA-N 0 0 247.313 3.653 20 0 BHADRN Cc1ccc([S@@](=O)CCCC(C)(F)F)cc1 ZINC000905160585 637659767 /nfs/dbraw/zinc/65/97/67/637659767.db2.gz BLMBWCZUHZNPQW-INIZCTEOSA-N 0 0 246.322 3.538 20 0 BHADRN Cc1ccc([S@](=O)CCCC(C)(F)F)cc1 ZINC000905160586 637660602 /nfs/dbraw/zinc/66/06/02/637660602.db2.gz BLMBWCZUHZNPQW-MRXNPFEDSA-N 0 0 246.322 3.538 20 0 BHADRN CC[C@H](c1ccccc1)[S@@](=O)C/C=C/Cl ZINC000905164591 637676022 /nfs/dbraw/zinc/67/60/22/637676022.db2.gz FIXPTLUEWLDOBH-FJUBQESYSA-N 0 0 242.771 3.639 20 0 BHADRN CC[C@H](c1ccccc1)[S@](=O)C/C=C\Cl ZINC000905164593 637676394 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231.339 3.562 20 0 BHADRN C/C=C\C(=O)N(CC)[C@@H](CC)c1ccccc1 ZINC000914507224 641726886 /nfs/dbraw/zinc/72/68/86/641726886.db2.gz HGGHEGQKNPSQJR-IUZNHRGFSA-N 0 0 231.339 3.562 20 0 BHADRN C/C=C/C(=O)N(CC)[C@H](CC)c1ccccc1 ZINC000914507225 641726335 /nfs/dbraw/zinc/72/63/35/641726335.db2.gz HGGHEGQKNPSQJR-LZTOIUFZSA-N 0 0 231.339 3.562 20 0 BHADRN C/C=C\C(=O)N(CC)[C@H](CC)c1ccccc1 ZINC000914507226 641726038 /nfs/dbraw/zinc/72/60/38/641726038.db2.gz HGGHEGQKNPSQJR-PXTDYPQFSA-N 0 0 231.339 3.562 20 0 BHADRN C/C=C/C(=O)N(CCC)[C@H](CC)c1ccccc1 ZINC000914508745 641728428 /nfs/dbraw/zinc/72/84/28/641728428.db2.gz PJHKIEIYPSKCFS-GSDOMDMQSA-N 0 0 245.366 3.952 20 0 BHADRN C/C=C\C(=O)N(CCC)[C@@H](CC)c1ccccc1 ZINC000914508746 641728029 /nfs/dbraw/zinc/72/80/29/641728029.db2.gz PJHKIEIYPSKCFS-HGZZYMOZSA-N 0 0 245.366 3.952 20 0 BHADRN C/C=C\C(=O)N(CCC)[C@H](CC)c1ccccc1 ZINC000914508747 641728574 /nfs/dbraw/zinc/72/85/74/641728574.db2.gz PJHKIEIYPSKCFS-OZVSCIAHSA-N 0 0 245.366 3.952 20 0 BHADRN C/C=C/C(=O)N(CCC)[C@@H](CC)c1ccccc1 ZINC000914508748 641728350 /nfs/dbraw/zinc/72/83/50/641728350.db2.gz PJHKIEIYPSKCFS-SHBKCBRUSA-N 0 0 245.366 3.952 20 0 BHADRN CCCN(CC)C(=O)/C=C\Sc1ccccc1 ZINC000914510092 641729136 /nfs/dbraw/zinc/72/91/36/641729136.db2.gz QODNPLDQAJWITC-BENRWUELSA-N 0 0 249.379 3.551 20 0 BHADRN CCCN(CC)C(=O)/C=C/Sc1ccccc1 ZINC000914510093 641728459 /nfs/dbraw/zinc/72/84/59/641728459.db2.gz QODNPLDQAJWITC-ZRDIBKRKSA-N 0 0 249.379 3.551 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C\c1ccccc1 ZINC000914510149 641729064 /nfs/dbraw/zinc/72/90/64/641729064.db2.gz STTYGSYQXSYFCB-KHPPLWFESA-N 0 0 245.366 3.594 20 0 BHADRN CCCN(CC(C)C)C(=O)/C=C/c1ccccc1 ZINC000914510150 641728879 /nfs/dbraw/zinc/72/88/79/641728879.db2.gz STTYGSYQXSYFCB-ZHACJKMWSA-N 0 0 245.366 3.594 20 0 BHADRN CCN(C(=O)C1CCCC1)c1ccc(C)cc1C ZINC000914510766 641728100 /nfs/dbraw/zinc/72/81/00/641728100.db2.gz WQSUWZPZWIPYPL-UHFFFAOYSA-N 0 0 245.366 3.847 20 0 BHADRN C/C=C/C=C/C(=O)N(CCC(C)C)C1CCCC1 ZINC000914512397 641728461 /nfs/dbraw/zinc/72/84/61/641728461.db2.gz OSSZWMACALJXFN-LJIKRCSCSA-N 0 0 249.398 3.936 20 0 BHADRN C/C=C/C=C\C(=O)N(CCC(C)C)C1CCCC1 ZINC000914512398 641728616 /nfs/dbraw/zinc/72/86/16/641728616.db2.gz OSSZWMACALJXFN-QTJNYWJXSA-N 0 0 249.398 3.936 20 0 BHADRN C/C=C/C=C\C(=O)N(CC)c1ccc(C)cc1C ZINC000914513754 641730870 /nfs/dbraw/zinc/73/08/70/641730870.db2.gz HIRPQYDPTUAYNN-WGKMIZOUSA-N 0 0 243.350 3.789 20 0 BHADRN C/C=C/C=C/C(=O)N(CC)c1ccc(C)cc1C ZINC000914513755 641730319 /nfs/dbraw/zinc/73/03/19/641730319.db2.gz HIRPQYDPTUAYNN-ZIRGRKGMSA-N 0 0 243.350 3.789 20 0 BHADRN C/C=C/C(=O)N(CCCC)C1CCCCC1 ZINC000914513894 641730803 /nfs/dbraw/zinc/73/08/03/641730803.db2.gz KIICCQIPLKHIGJ-RUDMXATFSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C\C(=O)N(CCCC)C1CCCCC1 ZINC000914513895 641730307 /nfs/dbraw/zinc/73/03/07/641730307.db2.gz KIICCQIPLKHIGJ-WTKPLQERSA-N 0 0 223.360 3.524 20 0 BHADRN C/C=C/C(=O)N(CCCC)[C@H](C)c1ccccc1 ZINC000914513898 641730346 /nfs/dbraw/zinc/73/03/46/641730346.db2.gz KPVCIAAHWRPXLB-AZWQULSGSA-N 0 0 245.366 3.952 20 0 BHADRN C/C=C\C(=O)N(CCCC)[C@@H](C)c1ccccc1 ZINC000914513899 641730737 /nfs/dbraw/zinc/73/07/37/641730737.db2.gz KPVCIAAHWRPXLB-MFNCVGGLSA-N 0 0 245.366 3.952 20 0 BHADRN C/C=C/C(=O)N(CCCC)[C@@H](C)c1ccccc1 ZINC000914513900 641730810 /nfs/dbraw/zinc/73/08/10/641730810.db2.gz KPVCIAAHWRPXLB-SEIPJRMCSA-N 0 0 245.366 3.952 20 0 BHADRN C/C=C\C(=O)N(CCCC)[C@H](C)c1ccccc1 ZINC000914513901 641730311 /nfs/dbraw/zinc/73/03/11/641730311.db2.gz KPVCIAAHWRPXLB-XTXQVDMPSA-N 0 0 245.366 3.952 20 0 BHADRN CCN(C(=O)C=C(C)C)c1ccc(C)cc1C ZINC000914514016 641729915 /nfs/dbraw/zinc/72/99/15/641729915.db2.gz OHGFCUCCXLUKEA-UHFFFAOYSA-N 0 0 231.339 3.623 20 0 BHADRN CCCCN(C(=O)C=C(C)C)C1CCCCC1 ZINC000914514082 641729576 /nfs/dbraw/zinc/72/95/76/641729576.db2.gz OMNIHFXATQRQTA-UHFFFAOYSA-N 0 0 237.387 3.914 20 0 BHADRN C/C=C\C(=O)N(Cc1cccc(C)c1)CC(C)C ZINC000914515257 641729771 /nfs/dbraw/zinc/72/97/71/641729771.db2.gz BEWUAGNTRQOAFK-ALCCZGGFSA-N 0 0 245.366 3.556 20 0 BHADRN C/C=C/C(=O)N(Cc1cccc(C)c1)CC(C)C ZINC000914515258 641730863 /nfs/dbraw/zinc/73/08/63/641730863.db2.gz BEWUAGNTRQOAFK-FNORWQNLSA-N 0 0 245.366 3.556 20 0 BHADRN CCc1ccc(N(CC)C(=O)CC(C)C)cc1 ZINC000914516001 641730351 /nfs/dbraw/zinc/73/03/51/641730351.db2.gz BLGVRASOBFMRSQ-UHFFFAOYSA-N 0 0 233.355 3.648 20 0 BHADRN CCN(C(=O)C=C(C)C)c1ccccc1Cl ZINC000914516018 641730406 /nfs/dbraw/zinc/73/04/06/641730406.db2.gz CNJKGVIHGQATAZ-UHFFFAOYSA-N 0 0 237.730 3.659 20 0 BHADRN CCCCC(=O)N(CC)c1ccc(CC)cc1 ZINC000914516221 641730569 /nfs/dbraw/zinc/73/05/69/641730569.db2.gz HPSMLLUURDZIGY-UHFFFAOYSA-N 0 0 233.355 3.792 20 0 BHADRN CCN(C(=O)C=C(C)C)c1cc(C)cc(C)c1 ZINC000914516507 641729798 /nfs/dbraw/zinc/72/97/98/641729798.db2.gz NREKYBYNTQINHN-UHFFFAOYSA-N 0 0 231.339 3.623 20 0 BHADRN CCc1ccc(N(CC)C(=O)C2CCCC2)cc1 ZINC000914516555 641730126 /nfs/dbraw/zinc/73/01/26/641730126.db2.gz OOMXLWWDZSDJPK-UHFFFAOYSA-N 0 0 245.366 3.792 20 0 BHADRN CC(C)=CC(=O)N(Cc1ccccc1)CC(C)C ZINC000914516860 641730732 /nfs/dbraw/zinc/73/07/32/641730732.db2.gz DSRFSHDTNKYUSL-UHFFFAOYSA-N 0 0 245.366 3.637 20 0 BHADRN C/C=C/C=C\C(=O)N(CC)c1ccccc1Cl ZINC000914516888 641730301 /nfs/dbraw/zinc/73/03/01/641730301.db2.gz RMHVIIYFSLHLSY-FPFHCWEWSA-N 0 0 249.741 3.825 20 0 BHADRN C/C=C/C=C/C(=O)N(CC)c1ccccc1Cl ZINC000914516889 641730814 /nfs/dbraw/zinc/73/08/14/641730814.db2.gz RMHVIIYFSLHLSY-JFDBYLHYSA-N 0 0 249.741 3.825 20 0 BHADRN C/C=C/C=C\C(=O)N(CC)c1cc(C)cc(C)c1 ZINC000914516942 641730582 /nfs/dbraw/zinc/73/05/82/641730582.db2.gz UXKQJJNALBRUHL-WGKMIZOUSA-N 0 0 243.350 3.789 20 0 BHADRN C/C=C/C=C/C(=O)N(CC)c1cc(C)cc(C)c1 ZINC000914516943 641729563 /nfs/dbraw/zinc/72/95/63/641729563.db2.gz UXKQJJNALBRUHL-ZIRGRKGMSA-N 0 0 243.350 3.789 20 0 BHADRN CCc1ccc(N(CC)C(=O)[C@H](C)CC)cc1 ZINC000914518686 641730380 /nfs/dbraw/zinc/73/03/80/641730380.db2.gz GQGOLASQZNIQIR-GFCCVEGCSA-N 0 0 233.355 3.648 20 0 BHADRN CCc1ccc(N(CC)C(=O)[C@@H](C)CC)cc1 ZINC000914518688 641729645 /nfs/dbraw/zinc/72/96/45/641729645.db2.gz GQGOLASQZNIQIR-LBPRGKRZSA-N 0 0 233.355 3.648 20 0 BHADRN CCc1ccc(N(CC)C(=O)c2ccoc2)cc1 ZINC000914518777 641730650 /nfs/dbraw/zinc/73/06/50/641730650.db2.gz JAKUIFMPFBFVFV-UHFFFAOYSA-N 0 0 243.306 3.509 20 0 BHADRN C/C=C/C=C/C(=O)N(CC(C)C)C1CCCC1 ZINC000914518786 641730269 /nfs/dbraw/zinc/73/02/69/641730269.db2.gz WQLUKXYOUFRLNG-LJIKRCSCSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C=C\C(=O)N(CC(C)C)C1CCCC1 ZINC000914518787 641730798 /nfs/dbraw/zinc/73/07/98/641730798.db2.gz WQLUKXYOUFRLNG-QTJNYWJXSA-N 0 0 235.371 3.546 20 0 BHADRN C/C=C/C(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 ZINC000914519021 641730402 /nfs/dbraw/zinc/73/04/02/641730402.db2.gz JAEUQTIDUOQPCY-CFNZNRNTSA-N 0 0 249.354 3.854 20 0 BHADRN C/C=C/C=C\C(=O)N(CC)c1ccc(CC)cc1 ZINC000914519097 641729649 /nfs/dbraw/zinc/72/96/49/641729649.db2.gz KLPBYUKQJDTIEB-KNOZVELGSA-N 0 0 243.350 3.734 20 0 BHADRN C/C=C/C=C/C(=O)N(CC)c1ccc(CC)cc1 ZINC000914519098 641730744 /nfs/dbraw/zinc/73/07/44/641730744.db2.gz KLPBYUKQJDTIEB-NUXDXBQRSA-N 0 0 243.350 3.734 20 0 BHADRN C/C=C\C(=O)N(CCCC)[C@H](C)c1ccc(C)o1 ZINC000914519187 641730470 /nfs/dbraw/zinc/73/04/70/641730470.db2.gz JAEUQTIDUOQPCY-FWPCIQOSSA-N 0 0 249.354 3.854 20 0 BHADRN C/C=C/C(=O)N(CCCC)[C@H](C)c1ccc(C)o1 ZINC000914519188 641730555 /nfs/dbraw/zinc/73/05/55/641730555.db2.gz JAEUQTIDUOQPCY-STMXVASLSA-N 0 0 249.354 3.854 20 0 BHADRN C/C=C\C(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 ZINC000914519189 641729551 /nfs/dbraw/zinc/72/95/51/641729551.db2.gz JAEUQTIDUOQPCY-WOLRVDTOSA-N 0 0 249.354 3.854 20 0 BHADRN C/C=C/C(=O)N(CCCC)Cc1ccccc1F ZINC000914519839 641730584 /nfs/dbraw/zinc/73/05/84/641730584.db2.gz SSYFYNFNNMOEQF-XBXARRHUSA-N 0 0 249.329 3.531 20 0 BHADRN C/C=C\C(=O)N(CCCC)Cc1ccccc1F ZINC000914519840 641730619 /nfs/dbraw/zinc/73/06/19/641730619.db2.gz SSYFYNFNNMOEQF-YWEYNIOJSA-N 0 0 249.329 3.531 20 0 BHADRN CCc1ccc(N(CC)C(=O)C=C(C)C)cc1 ZINC000914519891 641730882 /nfs/dbraw/zinc/73/08/82/641730882.db2.gz YGPSGSWEMFEIFI-UHFFFAOYSA-N 0 0 231.339 3.568 20 0 BHADRN C/C=C/C=C\C(=O)N(CC)c1cccc(Cl)c1 ZINC000914521628 641730601 /nfs/dbraw/zinc/73/06/01/641730601.db2.gz HAXMDPLHLWGGQA-IYNMRSRQSA-N 0 0 249.741 3.825 20 0 BHADRN C/C=C/C=C/C(=O)N(CC)c1cccc(Cl)c1 ZINC000914521630 641729701 /nfs/dbraw/zinc/72/97/01/641729701.db2.gz HAXMDPLHLWGGQA-YBRHCDHNSA-N 0 0 249.741 3.825 20 0 BHADRN CCN(C(=O)C=C(C)C)c1cccc(Cl)c1 ZINC000914522326 641729744 /nfs/dbraw/zinc/72/97/44/641729744.db2.gz SSSWLPBUUPIZCF-UHFFFAOYSA-N 0 0 237.730 3.659 20 0 BHADRN C/C=C/C=C\C(=O)N(CC)c1cccc(C)c1C ZINC000914528982 641731547 /nfs/dbraw/zinc/73/15/47/641731547.db2.gz KUOMJCIATCLSBK-VRGHMPIDSA-N 0 0 243.350 3.789 20 0 BHADRN C/C=C/C=C/C(=O)N(CC)c1cccc(C)c1C ZINC000914528983 641732321 /nfs/dbraw/zinc/73/23/21/641732321.db2.gz KUOMJCIATCLSBK-ZOCAGLHBSA-N 0 0 243.350 3.789 20 0 BHADRN CC(=O)N(Cc1cccs1)c1ccc(C)cc1 ZINC000914529026 641732148 /nfs/dbraw/zinc/73/21/48/641732148.db2.gz MDRLRZHECRFKOU-UHFFFAOYSA-N 0 0 245.347 3.610 20 0 BHADRN CCN(C(=O)C=C(C)C)c1cccc(C)c1C ZINC000914529122 641732515 /nfs/dbraw/zinc/73/25/15/641732515.db2.gz OQPBAVXCFLCPBU-UHFFFAOYSA-N 0 0 231.339 3.623 20 0 BHADRN CCN(C(=O)C=C(C)C)c1cc(C)ccc1C ZINC000914529386 641731904 /nfs/dbraw/zinc/73/19/04/641731904.db2.gz TXJPDMSSGNPJAC-UHFFFAOYSA-N 0 0 231.339 3.623 20 0 BHADRN C/C=C/C=C\C(=O)N(CC)c1cc(C)ccc1C ZINC000914529591 641732048 /nfs/dbraw/zinc/73/20/48/641732048.db2.gz YGZAILNEPWSYAH-WGKMIZOUSA-N 0 0 243.350 3.789 20 0 BHADRN C/C=C/C=C/C(=O)N(CC)c1cc(C)ccc1C ZINC000914529592 641732442 /nfs/dbraw/zinc/73/24/42/641732442.db2.gz YGZAILNEPWSYAH-ZIRGRKGMSA-N 0 0 243.350 3.789 20 0 BHADRN CCCCC[C@@H](C)NC(=O)NCCCC(C)C ZINC000914531041 641731931 /nfs/dbraw/zinc/73/19/31/641731931.db2.gz FHLMIFLIINKLEI-CYBMUJFWSA-N 0 0 242.407 3.691 20 0 BHADRN CCCCC[C@H](C)NC(=O)NCCCC(C)C ZINC000914531042 641731671 /nfs/dbraw/zinc/73/16/71/641731671.db2.gz FHLMIFLIINKLEI-ZDUSSCGKSA-N 0 0 242.407 3.691 20 0 BHADRN C/C=C/C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000914573907 641736049 /nfs/dbraw/zinc/73/60/49/641736049.db2.gz KPPWXZDTDWPHQD-CXLRFSCWSA-N 0 0 249.741 3.580 20 0 BHADRN C/C=C\C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000914573908 641737385 /nfs/dbraw/zinc/73/73/85/641737385.db2.gz KPPWXZDTDWPHQD-LSYFEZSPSA-N 0 0 249.741 3.580 20 0 BHADRN C/C=C/C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000914573909 641736713 /nfs/dbraw/zinc/73/67/13/641736713.db2.gz KPPWXZDTDWPHQD-OHVSUOQFSA-N 0 0 249.741 3.580 20 0 BHADRN C/C=C\C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000914573910 641736805 /nfs/dbraw/zinc/73/68/05/641736805.db2.gz KPPWXZDTDWPHQD-QDOCKXBDSA-N 0 0 249.741 3.580 20 0 BHADRN C[C@H](N(C)C(=O)/C=C\c1ccccc1)C(C)(C)C ZINC000914575465 641736718 /nfs/dbraw/zinc/73/67/18/641736718.db2.gz MUTVMBOCNPNHPZ-HHQWOOOKSA-N 0 0 245.366 3.593 20 0 BHADRN C[C@@H](N(C)C(=O)/C=C/c1ccccc1)C(C)(C)C ZINC000914575466 641736229 /nfs/dbraw/zinc/73/62/29/641736229.db2.gz 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RRJUXDAKOCZRLA-WAYWQWQTSA-N 0 0 249.379 3.600 20 0 BHADRN CC1(NC(=O)C=C(C2CC2)C2CC2)CCCCC1 ZINC000918670484 642244606 /nfs/dbraw/zinc/24/46/06/642244606.db2.gz ZLHBNLBNGMSHNA-UHFFFAOYSA-N 0 0 247.382 3.572 20 0 BHADRN CCCN(CC1CCCCC1)C(=O)C=C(C)C ZINC000918685816 642247751 /nfs/dbraw/zinc/24/77/51/642247751.db2.gz WCUURNWBTKGSKD-UHFFFAOYSA-N 0 0 237.387 3.772 20 0 BHADRN C/C=C/C=C\C(=O)N(CCC)CC1CCCCC1 ZINC000918685887 642246505 /nfs/dbraw/zinc/24/65/05/642246505.db2.gz YQPVTFZDJQYTIE-FMVMLBDOSA-N 0 0 249.398 3.938 20 0 BHADRN C/C=C/C=C/C(=O)N(CCC)CC1CCCCC1 ZINC000918685889 642246839 /nfs/dbraw/zinc/24/68/39/642246839.db2.gz YQPVTFZDJQYTIE-PPRDQHCASA-N 0 0 249.398 3.938 20 0 BHADRN CCCN(CC1CCCCC1)c1nccs1 ZINC000918736337 642260950 /nfs/dbraw/zinc/26/09/50/642260950.db2.gz XUZZRBGFOSAAAE-UHFFFAOYSA-N 0 0 238.400 3.940 20 0 BHADRN Cc1ccnc(SCC(=O)C2CCCCC2)c1 ZINC000918761196 642265124 /nfs/dbraw/zinc/26/51/24/642265124.db2.gz IZEHBHKKGQLONN-UHFFFAOYSA-N 0 0 249.379 3.632 20 0 BHADRN CC(C)=CC(=O)O[C@@H](C)c1ccc(F)c(F)c1 ZINC000918762364 642264177 /nfs/dbraw/zinc/26/41/77/642264177.db2.gz AKDOHDXOMPFIBM-VIFPVBQESA-N 0 0 240.249 3.535 20 0 BHADRN CC(C)=CC(=O)O[C@H](C)c1cccc(Cl)c1 ZINC000918762402 642264744 /nfs/dbraw/zinc/26/47/44/642264744.db2.gz CKYPCUNHYGUWJZ-SNVBAGLBSA-N 0 0 238.714 3.910 20 0 BHADRN CC(C)CC(=O)O[C@@H](C)c1cccc(Cl)c1 ZINC000918762455 642265367 /nfs/dbraw/zinc/26/53/67/642265367.db2.gz GBPAWAUHNCFUGS-JTQLQIEISA-N 0 0 240.730 3.990 20 0 BHADRN CC(C)CC(=O)O[C@H](C)c1cccc(Cl)c1 ZINC000918762456 642264908 /nfs/dbraw/zinc/26/49/08/642264908.db2.gz GBPAWAUHNCFUGS-SNVBAGLBSA-N 0 0 240.730 3.990 20 0 BHADRN C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000918763172 642264841 /nfs/dbraw/zinc/26/48/41/642264841.db2.gz NYOJHKAYADBLOF-HOTUBEGUSA-N 0 0 238.714 3.600 20 0 BHADRN C[C@H](OC(=O)[C@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000918763173 642264108 /nfs/dbraw/zinc/26/41/08/642264108.db2.gz NYOJHKAYADBLOF-PTRXPTGYSA-N 0 0 238.714 3.600 20 0 BHADRN CC(C)=CC(=O)O[C@@H](C)c1ccc(F)cc1F ZINC000918763435 642265100 /nfs/dbraw/zinc/26/51/00/642265100.db2.gz SKSNXSFVWWUUIG-VIFPVBQESA-N 0 0 240.249 3.535 20 0 BHADRN CC(C)CC(=O)O[C@H](C)c1ccc(F)cc1F ZINC000918763462 642263784 /nfs/dbraw/zinc/26/37/84/642263784.db2.gz SSCWBZFSCPLBKK-SECBINFHSA-N 0 0 242.265 3.615 20 0 BHADRN CC(C)CC(=O)O[C@@H](C)c1ccc(F)cc1F ZINC000918763465 642264360 /nfs/dbraw/zinc/26/43/60/642264360.db2.gz SSCWBZFSCPLBKK-VIFPVBQESA-N 0 0 242.265 3.615 20 0 BHADRN CCCC(=O)O[C@H](C)c1ccc(F)c(Cl)c1 ZINC000918764703 642263098 /nfs/dbraw/zinc/26/30/98/642263098.db2.gz JSZIYSIIRYTLKI-MRVPVSSYSA-N 0 0 244.693 3.883 20 0 BHADRN CCCC(=O)O[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000918764704 642262692 /nfs/dbraw/zinc/26/26/92/642262692.db2.gz JSZIYSIIRYTLKI-QMMMGPOBSA-N 0 0 244.693 3.883 20 0 BHADRN CCCC(=O)O[C@H](C)c1cccc(Cl)c1 ZINC000918765087 642262648 /nfs/dbraw/zinc/26/26/48/642262648.db2.gz RIDAMNKOCJKIKI-SECBINFHSA-N 0 0 226.703 3.744 20 0 BHADRN CCCC(=O)O[C@@H](C)c1cccc(Cl)c1 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CCC/C(C)=C\C(=O)Nc1ccc(C(C)=O)cc1 ZINC000920213077 642450602 /nfs/dbraw/zinc/45/06/02/642450602.db2.gz JOMUAKJVIYGMJN-KHPPLWFESA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(C(C)=O)cc1 ZINC000920213078 642451021 /nfs/dbraw/zinc/45/10/21/642451021.db2.gz JOMUAKJVIYGMJN-ZHACJKMWSA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(F)cc1 ZINC000920213095 642451494 /nfs/dbraw/zinc/45/14/94/642451494.db2.gz KSCVXZYUKPCNSV-KTKRTIGZSA-N 0 0 221.275 3.511 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(F)cc1 ZINC000920213096 642451006 /nfs/dbraw/zinc/45/10/06/642451006.db2.gz KSCVXZYUKPCNSV-MDZDMXLPSA-N 0 0 221.275 3.511 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1ccc(C(C)=O)cc1 ZINC000920213097 642449757 /nfs/dbraw/zinc/44/97/57/642449757.db2.gz KSJNUPKFKUODQS-KHPPLWFESA-N 0 0 246.306 3.541 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1ccc(C(C)=O)cc1 ZINC000920213098 642451157 /nfs/dbraw/zinc/45/11/57/642451157.db2.gz KSJNUPKFKUODQS-ZHACJKMWSA-N 0 0 246.306 3.541 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc(F)c1 ZINC000920213126 642450467 /nfs/dbraw/zinc/45/04/67/642450467.db2.gz MGZYYXHIDDFJLJ-CSKARUKUSA-N 0 0 221.275 3.511 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc(F)c1 ZINC000920213127 642451215 /nfs/dbraw/zinc/45/12/15/642451215.db2.gz MGZYYXHIDDFJLJ-NTMALXAHSA-N 0 0 221.275 3.511 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccccc1C ZINC000920213129 642452286 /nfs/dbraw/zinc/45/22/86/642452286.db2.gz MMOJSPXOJMKKCF-KHPPLWFESA-N 0 0 217.312 3.680 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccccc1C ZINC000920213130 642452454 /nfs/dbraw/zinc/45/24/54/642452454.db2.gz MMOJSPXOJMKKCF-ZHACJKMWSA-N 0 0 217.312 3.680 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(C)c(C)c1 ZINC000920213142 642452903 /nfs/dbraw/zinc/45/29/03/642452903.db2.gz NCGPVZVCXFGQIZ-LUAWRHEFSA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(C)c(C)c1 ZINC000920213346 642452873 /nfs/dbraw/zinc/45/28/73/642452873.db2.gz NCGPVZVCXFGQIZ-PKNBQFBNSA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCCc2ccccc21 ZINC000920213376 642452655 /nfs/dbraw/zinc/45/26/55/642452655.db2.gz OXSRTMBIBVWSNF-OUKQBFOZSA-N 0 0 243.350 3.712 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCCc2ccccc21 ZINC000920213378 642451983 /nfs/dbraw/zinc/45/19/83/642451983.db2.gz OXSRTMBIBVWSNF-SEYXRHQNSA-N 0 0 243.350 3.712 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc(C)c1C ZINC000920213388 642452175 /nfs/dbraw/zinc/45/21/75/642452175.db2.gz PBPTYULVAVEJGT-KHPPLWFESA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc(C)c1C ZINC000920213390 642452914 /nfs/dbraw/zinc/45/29/14/642452914.db2.gz PBPTYULVAVEJGT-ZHACJKMWSA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(C)cc1C ZINC000920213446 642452100 /nfs/dbraw/zinc/45/21/00/642452100.db2.gz QHVOGPSWGRXNJV-KHPPLWFESA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(C)cc1C ZINC000920213448 642452316 /nfs/dbraw/zinc/45/23/16/642452316.db2.gz QHVOGPSWGRXNJV-ZHACJKMWSA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C\C(=O)OC1CCCCC1 ZINC000920213493 642452508 /nfs/dbraw/zinc/45/25/08/642452508.db2.gz SQRTWYHSDCYQCE-KHPPLWFESA-N 0 0 210.317 3.609 20 0 BHADRN CCC/C(C)=C/C(=O)OC1CCCCC1 ZINC000920213494 642452429 /nfs/dbraw/zinc/45/24/29/642452429.db2.gz SQRTWYHSDCYQCE-ZHACJKMWSA-N 0 0 210.317 3.609 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cc(C)ccc1C ZINC000920213600 642452037 /nfs/dbraw/zinc/45/20/37/642452037.db2.gz SWYVDLSYGVEQRN-KHPPLWFESA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cc(C)ccc1C ZINC000920213601 642453002 /nfs/dbraw/zinc/45/30/02/642453002.db2.gz SWYVDLSYGVEQRN-ZHACJKMWSA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(C)cc1 ZINC000920213611 642453528 /nfs/dbraw/zinc/45/35/28/642453528.db2.gz UJOZENIKWUIWBP-BENRWUELSA-N 0 0 217.312 3.680 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(C)cc1 ZINC000920213612 642453059 /nfs/dbraw/zinc/45/30/59/642453059.db2.gz UJOZENIKWUIWBP-ZRDIBKRKSA-N 0 0 217.312 3.680 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(OCC)cc1 ZINC000920213634 642452916 /nfs/dbraw/zinc/45/29/16/642452916.db2.gz WBVWWOFXVSFHLD-QXMHVHEDSA-N 0 0 247.338 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(OCC)cc1 ZINC000920213635 642452086 /nfs/dbraw/zinc/45/20/86/642452086.db2.gz WBVWWOFXVSFHLD-VAWYXSNFSA-N 0 0 247.338 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCCC[C@@H]1CC ZINC000920213672 642453251 /nfs/dbraw/zinc/45/32/51/642453251.db2.gz YSQKWHIEZLSLMB-HHQWOOOKSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCCC[C@H]1CC ZINC000920213673 642452576 /nfs/dbraw/zinc/45/25/76/642452576.db2.gz YSQKWHIEZLSLMB-XZHRJIJLSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCCC[C@H]1CC ZINC000920213674 642452368 /nfs/dbraw/zinc/45/23/68/642452368.db2.gz YSQKWHIEZLSLMB-YLGBQOPLSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCCC[C@@H]1CC ZINC000920213675 642453413 /nfs/dbraw/zinc/45/34/13/642453413.db2.gz YSQKWHIEZLSLMB-YLSINNKHSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc(C)c1 ZINC000920213678 642453262 /nfs/dbraw/zinc/45/32/62/642453262.db2.gz ZCCNIWUEIBCJEL-KHPPLWFESA-N 0 0 217.312 3.680 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc(C)c1 ZINC000920213679 642452553 /nfs/dbraw/zinc/45/25/53/642452553.db2.gz ZCCNIWUEIBCJEL-ZHACJKMWSA-N 0 0 217.312 3.680 20 0 BHADRN CCC/C(C)=C/C(=O)OCc1cccs1 ZINC000920213809 642453005 /nfs/dbraw/zinc/45/30/05/642453005.db2.gz AHMZHXURXDCLBK-CSKARUKUSA-N 0 0 224.325 3.538 20 0 BHADRN CCC/C(C)=C\C(=O)OCc1cccs1 ZINC000920213810 642452945 /nfs/dbraw/zinc/45/29/45/642452945.db2.gz AHMZHXURXDCLBK-NTMALXAHSA-N 0 0 224.325 3.538 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccccc1F ZINC000920213819 642453375 /nfs/dbraw/zinc/45/33/75/642453375.db2.gz ASDJYUOVGPIPMZ-KTKRTIGZSA-N 0 0 221.275 3.511 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccccc1F ZINC000920213820 642452421 /nfs/dbraw/zinc/45/24/21/642452421.db2.gz ASDJYUOVGPIPMZ-MDZDMXLPSA-N 0 0 221.275 3.511 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(C)c(F)c1 ZINC000920213829 642451993 /nfs/dbraw/zinc/45/19/93/642451993.db2.gz BAWVFXXFKYEEND-CSKARUKUSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(C)c(F)c1 ZINC000920213830 642451937 /nfs/dbraw/zinc/45/19/37/642451937.db2.gz BAWVFXXFKYEEND-NTMALXAHSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1ccc(C)c(C)c1 ZINC000920213844 642452296 /nfs/dbraw/zinc/45/22/96/642452296.db2.gz BSOIOKABYDSTIF-LUAWRHEFSA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1ccc(C)c(C)c1 ZINC000920213845 642453557 /nfs/dbraw/zinc/45/35/57/642453557.db2.gz BSOIOKABYDSTIF-PKNBQFBNSA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C\C(=O)NC1CCCCCC1 ZINC000920213849 642452675 /nfs/dbraw/zinc/45/26/75/642452675.db2.gz BZTGHTOWFFWQHG-QXMHVHEDSA-N 0 0 223.360 3.572 20 0 BHADRN CCC/C(C)=C/C(=O)NC1CCCCCC1 ZINC000920213850 642452525 /nfs/dbraw/zinc/45/25/25/642452525.db2.gz BZTGHTOWFFWQHG-VAWYXSNFSA-N 0 0 223.360 3.572 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(CC)cc1 ZINC000920213908 642452202 /nfs/dbraw/zinc/45/22/02/642452202.db2.gz DJJNREWHMXUSMG-QXMHVHEDSA-N 0 0 231.339 3.934 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(CC)cc1 ZINC000920213909 642452861 /nfs/dbraw/zinc/45/28/61/642452861.db2.gz DJJNREWHMXUSMG-VAWYXSNFSA-N 0 0 231.339 3.934 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1ccc(C)cc1 ZINC000920214114 642453323 /nfs/dbraw/zinc/45/33/23/642453323.db2.gz FKUUVWDRGANOQQ-BENRWUELSA-N 0 0 218.296 3.647 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1ccc(C)cc1 ZINC000920214115 642452647 /nfs/dbraw/zinc/45/26/47/642452647.db2.gz FKUUVWDRGANOQQ-ZRDIBKRKSA-N 0 0 218.296 3.647 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1cc(C)cc(C)c1 ZINC000920214154 642452050 /nfs/dbraw/zinc/45/20/50/642452050.db2.gz GTNRILFOIKRXJY-KHPPLWFESA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1cc(C)cc(C)c1 ZINC000920214155 642452991 /nfs/dbraw/zinc/45/29/91/642452991.db2.gz GTNRILFOIKRXJY-ZHACJKMWSA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C\C(=O)OCc1ccccc1F ZINC000920214170 642453188 /nfs/dbraw/zinc/45/31/88/642453188.db2.gz HLHIIPNLZYJIIZ-LUAWRHEFSA-N 0 0 236.286 3.615 20 0 BHADRN CCC/C(C)=C/C(=O)OCc1ccccc1F ZINC000920214171 642452753 /nfs/dbraw/zinc/45/27/53/642452753.db2.gz HLHIIPNLZYJIIZ-PKNBQFBNSA-N 0 0 236.286 3.615 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc(C(C)=O)c1 ZINC000920214190 642453022 /nfs/dbraw/zinc/45/30/22/642453022.db2.gz IGQGGHZTUTVNER-LUAWRHEFSA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc(C(C)=O)c1 ZINC000920214191 642451917 /nfs/dbraw/zinc/45/19/17/642451917.db2.gz IGQGGHZTUTVNER-PKNBQFBNSA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1cccc(C)c1 ZINC000920214205 642452692 /nfs/dbraw/zinc/45/26/92/642452692.db2.gz IUCOOFOOASPSKY-KHPPLWFESA-N 0 0 218.296 3.647 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1cccc(C)c1 ZINC000920214206 642452210 /nfs/dbraw/zinc/45/22/10/642452210.db2.gz IUCOOFOOASPSKY-ZHACJKMWSA-N 0 0 218.296 3.647 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@H](C)CCC(C)C ZINC000920214207 642452831 /nfs/dbraw/zinc/45/28/31/642452831.db2.gz IWKKTNAKQGYRRM-KXXVWKPMSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@H](C)CCC(C)C ZINC000920214208 642452246 /nfs/dbraw/zinc/45/22/46/642452246.db2.gz IWKKTNAKQGYRRM-RSKUSDAESA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H](C)CCC(C)C ZINC000920214209 642453489 /nfs/dbraw/zinc/45/34/89/642453489.db2.gz IWKKTNAKQGYRRM-UKVQZPPCSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H](C)CCC(C)C ZINC000920214210 642453364 /nfs/dbraw/zinc/45/33/64/642453364.db2.gz IWKKTNAKQGYRRM-XSNHNAGMSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cc(F)ccc1F ZINC000920214219 642452924 /nfs/dbraw/zinc/45/29/24/642452924.db2.gz JELUFIWODBSSOA-CLFYSBASSA-N 0 0 239.265 3.650 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cc(F)ccc1F ZINC000920214220 642451999 /nfs/dbraw/zinc/45/19/99/642451999.db2.gz JELUFIWODBSSOA-VQHVLOKHSA-N 0 0 239.265 3.650 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(C)cc1F ZINC000920214375 642452716 /nfs/dbraw/zinc/45/27/16/642452716.db2.gz LOXHHILLTXJLHX-KTKRTIGZSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(C)cc1F ZINC000920214376 642452194 /nfs/dbraw/zinc/45/21/94/642452194.db2.gz LOXHHILLTXJLHX-MDZDMXLPSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1cc(C)ccc1C ZINC000920214387 642452973 /nfs/dbraw/zinc/45/29/73/642452973.db2.gz LXUMONRCCPLAIZ-KHPPLWFESA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1cc(C)ccc1C ZINC000920214388 642452603 /nfs/dbraw/zinc/45/26/03/642452603.db2.gz LXUMONRCCPLAIZ-ZHACJKMWSA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cc(C)cc(C)c1 ZINC000920214399 642452862 /nfs/dbraw/zinc/45/28/62/642452862.db2.gz MONVCKXSRYTIMH-KHPPLWFESA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cc(C)cc(C)c1 ZINC000920214400 642452128 /nfs/dbraw/zinc/45/21/28/642452128.db2.gz MONVCKXSRYTIMH-ZHACJKMWSA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)Cc1ccccc1F ZINC000920214442 642451924 /nfs/dbraw/zinc/45/19/24/642451924.db2.gz ICLJVRIQCTXBQF-BENRWUELSA-N 0 0 249.329 3.531 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)Cc1ccccc1F ZINC000920214443 642453018 /nfs/dbraw/zinc/45/30/18/642453018.db2.gz ICLJVRIQCTXBQF-ZRDIBKRKSA-N 0 0 249.329 3.531 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)Cc1cccc(F)c1 ZINC000920214490 642452689 /nfs/dbraw/zinc/45/26/89/642452689.db2.gz JUUCNUUCIXZXMN-FMIVXFBMSA-N 0 0 249.329 3.531 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)Cc1cccc(F)c1 ZINC000920214491 642453104 /nfs/dbraw/zinc/45/31/04/642453104.db2.gz JUUCNUUCIXZXMN-XFXZXTDPSA-N 0 0 249.329 3.531 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1ccccc1C ZINC000920214535 642452157 /nfs/dbraw/zinc/45/21/57/642452157.db2.gz NXSRZGLZBYFYNR-KHPPLWFESA-N 0 0 218.296 3.647 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1ccccc1C ZINC000920214536 642452768 /nfs/dbraw/zinc/45/27/68/642452768.db2.gz NXSRZGLZBYFYNR-ZHACJKMWSA-N 0 0 218.296 3.647 20 0 BHADRN CCC/C(C)=C\C(=O)OCc1ccc(F)cc1 ZINC000920214541 642452759 /nfs/dbraw/zinc/45/27/59/642452759.db2.gz OAJUWKYMSKJJCM-LUAWRHEFSA-N 0 0 236.286 3.615 20 0 BHADRN CCC/C(C)=C/C(=O)OCc1ccc(F)cc1 ZINC000920214542 642452165 /nfs/dbraw/zinc/45/21/65/642452165.db2.gz OAJUWKYMSKJJCM-PKNBQFBNSA-N 0 0 236.286 3.615 20 0 BHADRN CCC/C(C)=C/C(=O)NCCC1=CCCCC1 ZINC000920214560 642452566 /nfs/dbraw/zinc/45/25/66/642452566.db2.gz OYYXMDRWLPCUGJ-OUKQBFOZSA-N 0 0 235.371 3.740 20 0 BHADRN CCC/C(C)=C\C(=O)NCCC1=CCCCC1 ZINC000920214561 642453278 /nfs/dbraw/zinc/45/32/78/642453278.db2.gz OYYXMDRWLPCUGJ-SEYXRHQNSA-N 0 0 235.371 3.740 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cc(F)ccc1C ZINC000920214568 642452882 /nfs/dbraw/zinc/45/28/82/642452882.db2.gz PFIHXRLYZBVKBY-CSKARUKUSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cc(F)ccc1C ZINC000920214569 642452066 /nfs/dbraw/zinc/45/20/66/642452066.db2.gz PFIHXRLYZBVKBY-NTMALXAHSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C/C(=O)NC1CCCCCCC1 ZINC000920214570 642452107 /nfs/dbraw/zinc/45/21/07/642452107.db2.gz PGKYKJIMIAXDHQ-OUKQBFOZSA-N 0 0 237.387 3.962 20 0 BHADRN CCC/C(C)=C\C(=O)NC1CCCCCCC1 ZINC000920214571 642452787 /nfs/dbraw/zinc/45/27/87/642452787.db2.gz PGKYKJIMIAXDHQ-SEYXRHQNSA-N 0 0 237.387 3.962 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(F)c(F)c1 ZINC000920214572 642453094 /nfs/dbraw/zinc/45/30/94/642453094.db2.gz PHQVPBKEXZVLMA-CLFYSBASSA-N 0 0 239.265 3.650 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(F)c(F)c1 ZINC000920214573 642452690 /nfs/dbraw/zinc/45/26/90/642452690.db2.gz PHQVPBKEXZVLMA-VQHVLOKHSA-N 0 0 239.265 3.650 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(F)cc1F ZINC000920214590 642452255 /nfs/dbraw/zinc/45/22/55/642452255.db2.gz PMOJZJXSJXIGNM-CLFYSBASSA-N 0 0 239.265 3.650 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(F)cc1F ZINC000920214591 642453547 /nfs/dbraw/zinc/45/35/47/642453547.db2.gz PMOJZJXSJXIGNM-VQHVLOKHSA-N 0 0 239.265 3.650 20 0 BHADRN CCC/C(C)=C\C(=O)OC[C@@H]1CC=CCC1 ZINC000920214749 642453502 /nfs/dbraw/zinc/45/35/02/642453502.db2.gz UAHSOPLAKMUBQA-KXXVWKPMSA-N 0 0 222.328 3.632 20 0 BHADRN CCC/C(C)=C/C(=O)OC[C@@H]1CC=CCC1 ZINC000920214817 642453174 /nfs/dbraw/zinc/45/31/74/642453174.db2.gz UAHSOPLAKMUBQA-RSKUSDAESA-N 0 0 222.328 3.632 20 0 BHADRN CCC/C(C)=C\C(=O)OC[C@H]1CC=CCC1 ZINC000920214818 642451931 /nfs/dbraw/zinc/45/19/31/642451931.db2.gz UAHSOPLAKMUBQA-UKVQZPPCSA-N 0 0 222.328 3.632 20 0 BHADRN CCC/C(C)=C/C(=O)OC[C@H]1CC=CCC1 ZINC000920214821 642453071 /nfs/dbraw/zinc/45/30/71/642453071.db2.gz UAHSOPLAKMUBQA-XSNHNAGMSA-N 0 0 222.328 3.632 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)Cc1ccccc1 ZINC000920214839 642452020 /nfs/dbraw/zinc/45/20/20/642452020.db2.gz UMJMNXXAICYSCR-OWBHPGMISA-N 0 0 245.366 3.782 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)Cc1ccccc1 ZINC000920214841 642453271 /nfs/dbraw/zinc/45/32/71/642453271.db2.gz UMJMNXXAICYSCR-WYMLVPIESA-N 0 0 245.366 3.782 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1cccc(C)c1C ZINC000920214988 642455664 /nfs/dbraw/zinc/45/56/64/642455664.db2.gz QAAZRBJUYONJRJ-KHPPLWFESA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1cccc(C)c1C ZINC000920214989 642454661 /nfs/dbraw/zinc/45/46/61/642454661.db2.gz QAAZRBJUYONJRJ-ZHACJKMWSA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)Cc1ccccc1C ZINC000920215021 642454680 /nfs/dbraw/zinc/45/46/80/642454680.db2.gz QMRVLMFTCXALMM-ACCUITESSA-N 0 0 245.366 3.700 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)Cc1ccccc1C ZINC000920215023 642455308 /nfs/dbraw/zinc/45/53/08/642455308.db2.gz QMRVLMFTCXALMM-QBFSEMIESA-N 0 0 245.366 3.700 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1cccc(Cl)c1 ZINC000920215029 642455312 /nfs/dbraw/zinc/45/53/12/642455312.db2.gz WNVZQBUPDFVOLJ-CSKARUKUSA-N 0 0 238.714 3.992 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1cccc(Cl)c1 ZINC000920215031 642454059 /nfs/dbraw/zinc/45/40/59/642454059.db2.gz WNVZQBUPDFVOLJ-NTMALXAHSA-N 0 0 238.714 3.992 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1c(F)cccc1F ZINC000920215077 642454480 /nfs/dbraw/zinc/45/44/80/642454480.db2.gz XPLRRDOEGVOQBP-CMDGGOBGSA-N 0 0 239.265 3.650 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1c(F)cccc1F ZINC000920215078 642455032 /nfs/dbraw/zinc/45/50/32/642455032.db2.gz XPLRRDOEGVOQBP-HJWRWDBZSA-N 0 0 239.265 3.650 20 0 BHADRN CCCCC[C@H](C)NC(=O)/C=C(/C)CCC ZINC000920215159 642455301 /nfs/dbraw/zinc/45/53/01/642455301.db2.gz ZTXKDYSEWWJMOK-HHQWOOOKSA-N 0 0 225.376 3.818 20 0 BHADRN CCCCC[C@@H](C)NC(=O)/C=C(\C)CCC ZINC000920215161 642455188 /nfs/dbraw/zinc/45/51/88/642455188.db2.gz ZTXKDYSEWWJMOK-XZHRJIJLSA-N 0 0 225.376 3.818 20 0 BHADRN CCCCC[C@@H](C)NC(=O)/C=C(/C)CCC ZINC000920215179 642454023 /nfs/dbraw/zinc/45/40/23/642454023.db2.gz ZTXKDYSEWWJMOK-YLGBQOPLSA-N 0 0 225.376 3.818 20 0 BHADRN CCCCC[C@H](C)NC(=O)/C=C(\C)CCC ZINC000920215180 642454791 /nfs/dbraw/zinc/45/47/91/642454791.db2.gz ZTXKDYSEWWJMOK-YLSINNKHSA-N 0 0 225.376 3.818 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cc(C)ccc1OC ZINC000920215185 642455156 /nfs/dbraw/zinc/45/51/56/642455156.db2.gz ZZRIXDKZTGVCGI-KHPPLWFESA-N 0 0 247.338 3.689 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cc(C)ccc1OC ZINC000920215188 642455147 /nfs/dbraw/zinc/45/51/47/642455147.db2.gz ZZRIXDKZTGVCGI-ZHACJKMWSA-N 0 0 247.338 3.689 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cc(C)ccc1F ZINC000920215261 642455630 /nfs/dbraw/zinc/45/56/30/642455630.db2.gz CAPGUWGKAIHRPG-KTKRTIGZSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cc(C)ccc1F ZINC000920215262 642455209 /nfs/dbraw/zinc/45/52/09/642455209.db2.gz CAPGUWGKAIHRPG-MDZDMXLPSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1ccccc1OCC ZINC000920215306 642455018 /nfs/dbraw/zinc/45/50/18/642455018.db2.gz DLCRFHOXMZMKKZ-QXMHVHEDSA-N 0 0 248.322 3.737 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1ccccc1OCC ZINC000920215307 642454431 /nfs/dbraw/zinc/45/44/31/642454431.db2.gz DLCRFHOXMZMKKZ-VAWYXSNFSA-N 0 0 248.322 3.737 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1ccc(C)cc1OC ZINC000920215335 642454362 /nfs/dbraw/zinc/45/43/62/642454362.db2.gz RJXSMEDXZDNMIT-KHPPLWFESA-N 0 0 248.322 3.655 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1ccc(C)cc1OC ZINC000920215336 642454943 /nfs/dbraw/zinc/45/49/43/642454943.db2.gz RJXSMEDXZDNMIT-ZHACJKMWSA-N 0 0 248.322 3.655 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)Cc1ccc(F)cc1 ZINC000920215553 642454618 /nfs/dbraw/zinc/45/46/18/642454618.db2.gz UWGKGTDJWXMPAX-BENRWUELSA-N 0 0 249.329 3.531 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)Cc1ccc(F)cc1 ZINC000920215555 642455612 /nfs/dbraw/zinc/45/56/12/642455612.db2.gz UWGKGTDJWXMPAX-ZRDIBKRKSA-N 0 0 249.329 3.531 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)Cc1ccc(C)cc1 ZINC000920215594 642455444 /nfs/dbraw/zinc/45/54/44/642455444.db2.gz VLVSNIBHNFNBDU-KAMYIIQDSA-N 0 0 245.366 3.700 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)Cc1ccc(C)cc1 ZINC000920215596 642454543 /nfs/dbraw/zinc/45/45/43/642454543.db2.gz VLVSNIBHNFNBDU-SDNWHVSQSA-N 0 0 245.366 3.700 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(F)cc1C ZINC000920215620 642454840 /nfs/dbraw/zinc/45/48/40/642454840.db2.gz WBQPWBGSGZVPQU-CSKARUKUSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(F)cc1C ZINC000920215622 642455136 /nfs/dbraw/zinc/45/51/36/642455136.db2.gz WBQPWBGSGZVPQU-NTMALXAHSA-N 0 0 235.302 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccccc1CC ZINC000920215851 642454073 /nfs/dbraw/zinc/45/40/73/642454073.db2.gz YPMJSSVIWWCIFS-QXMHVHEDSA-N 0 0 231.339 3.934 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccccc1CC ZINC000920215852 642454526 /nfs/dbraw/zinc/45/45/26/642454526.db2.gz YPMJSSVIWWCIFS-VAWYXSNFSA-N 0 0 231.339 3.934 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1cccc(C(C)=O)c1 ZINC000920215855 642454881 /nfs/dbraw/zinc/45/48/81/642454881.db2.gz YSVNAYVBNXBRQZ-LUAWRHEFSA-N 0 0 246.306 3.541 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1cccc(C(C)=O)c1 ZINC000920215856 642454408 /nfs/dbraw/zinc/45/44/08/642454408.db2.gz YSVNAYVBNXBRQZ-PKNBQFBNSA-N 0 0 246.306 3.541 20 0 BHADRN CCC/C(C)=C/C(=O)NC[C@H](C)c1ccccc1 ZINC000920215931 642454672 /nfs/dbraw/zinc/45/46/72/642454672.db2.gz AADUVDGZMVRPOK-CMPYXILNSA-N 0 0 245.366 3.653 20 0 BHADRN CCC/C(C)=C\C(=O)NC[C@H](C)c1ccccc1 ZINC000920215934 642455118 /nfs/dbraw/zinc/45/51/18/642455118.db2.gz AADUVDGZMVRPOK-FZDNWWAKSA-N 0 0 245.366 3.653 20 0 BHADRN CCC/C(C)=C\C(=O)NC[C@@H](C)c1ccccc1 ZINC000920215938 642454236 /nfs/dbraw/zinc/45/42/36/642454236.db2.gz AADUVDGZMVRPOK-YBEMTRGBSA-N 0 0 245.366 3.653 20 0 BHADRN CCC/C(C)=C/C(=O)NC[C@@H](C)c1ccccc1 ZINC000920215940 642455546 /nfs/dbraw/zinc/45/55/46/642455546.db2.gz AADUVDGZMVRPOK-YPDDLIOESA-N 0 0 245.366 3.653 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc(CC)c1 ZINC000920215945 642454246 /nfs/dbraw/zinc/45/42/46/642454246.db2.gz IJMWKBPQXWURFS-BENRWUELSA-N 0 0 231.339 3.934 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc(CC)c1 ZINC000920215947 642455727 /nfs/dbraw/zinc/45/57/27/642455727.db2.gz IJMWKBPQXWURFS-ZRDIBKRKSA-N 0 0 231.339 3.934 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000920216032 642454761 /nfs/dbraw/zinc/45/47/61/642454761.db2.gz BDSHKLSUGOXFTH-DINCDJDBSA-N 0 0 245.366 3.952 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000920216034 642455652 /nfs/dbraw/zinc/45/56/52/642455652.db2.gz BDSHKLSUGOXFTH-FNDVETGQSA-N 0 0 245.366 3.952 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@H](C)c1ccccc1 ZINC000920216036 642454180 /nfs/dbraw/zinc/45/41/80/642454180.db2.gz BDSHKLSUGOXFTH-WUFNSSIPSA-N 0 0 245.366 3.952 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@H](C)c1ccccc1 ZINC000920216038 642454801 /nfs/dbraw/zinc/45/48/01/642454801.db2.gz BDSHKLSUGOXFTH-XTZCOPOCSA-N 0 0 245.366 3.952 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000920216283 642454490 /nfs/dbraw/zinc/45/44/90/642454490.db2.gz ADXKMAQOMZXHCF-BFPJXGRPSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000920216284 642454932 /nfs/dbraw/zinc/45/49/32/642454932.db2.gz ADXKMAQOMZXHCF-CYUAOAIUSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000920216285 642455518 /nfs/dbraw/zinc/45/55/18/642455518.db2.gz ADXKMAQOMZXHCF-MRUDHYOASA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000920216286 642454980 /nfs/dbraw/zinc/45/49/80/642454980.db2.gz ADXKMAQOMZXHCF-QDLRVKAISA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)C1CCC(C)CC1 ZINC000920216361 642455873 /nfs/dbraw/zinc/45/58/73/642455873.db2.gz QNHUCPLNKCAURG-ACCUITESSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)C1CCC(C)CC1 ZINC000920216363 642454131 /nfs/dbraw/zinc/45/41/31/642454131.db2.gz QNHUCPLNKCAURG-QBFSEMIESA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc2c(c1)CCC2 ZINC000920216719 642455542 /nfs/dbraw/zinc/45/55/42/642455542.db2.gz OVVGWQYDWPZLKH-BENRWUELSA-N 0 0 243.350 3.860 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc2c(c1)CCC2 ZINC000920216721 642455507 /nfs/dbraw/zinc/45/55/07/642455507.db2.gz OVVGWQYDWPZLKH-ZRDIBKRKSA-N 0 0 243.350 3.860 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000920217029 642455085 /nfs/dbraw/zinc/45/50/85/642455085.db2.gz GKHYVMHWRSYDJF-BFPJXGRPSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000920217031 642454351 /nfs/dbraw/zinc/45/43/51/642454351.db2.gz GKHYVMHWRSYDJF-CYUAOAIUSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000920217034 642455861 /nfs/dbraw/zinc/45/58/61/642455861.db2.gz GKHYVMHWRSYDJF-MRUDHYOASA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000920217036 642454106 /nfs/dbraw/zinc/45/41/06/642454106.db2.gz GKHYVMHWRSYDJF-QDLRVKAISA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)c1ccccc1 ZINC000920217051 642454652 /nfs/dbraw/zinc/45/46/52/642454652.db2.gz IPRDJQZOWQYELS-OUKQBFOZSA-N 0 0 231.339 3.786 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)c1ccccc1 ZINC000920217052 642454251 /nfs/dbraw/zinc/45/42/51/642454251.db2.gz IPRDJQZOWQYELS-SEYXRHQNSA-N 0 0 231.339 3.786 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@H](C)c1cccs1 ZINC000920217061 642455259 /nfs/dbraw/zinc/45/52/59/642455259.db2.gz JBTFEKLWBWVUDK-DWOQACPDSA-N 0 0 237.368 3.672 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H](C)c1cccs1 ZINC000920217062 642455628 /nfs/dbraw/zinc/45/56/28/642455628.db2.gz JBTFEKLWBWVUDK-JUDLJHIGSA-N 0 0 237.368 3.672 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@H](C)c1cccs1 ZINC000920217064 642454870 /nfs/dbraw/zinc/45/48/70/642454870.db2.gz JBTFEKLWBWVUDK-PBQZMEPESA-N 0 0 237.368 3.672 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H](C)c1cccs1 ZINC000920217066 642455137 /nfs/dbraw/zinc/45/51/37/642455137.db2.gz JBTFEKLWBWVUDK-USKTWTLRSA-N 0 0 237.368 3.672 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)c1ccc(F)cc1 ZINC000920217245 642454091 /nfs/dbraw/zinc/45/40/91/642454091.db2.gz YDCHIBZPXVELOB-QXMHVHEDSA-N 0 0 249.329 3.925 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)c1ccc(F)cc1 ZINC000920217246 642454529 /nfs/dbraw/zinc/45/45/29/642454529.db2.gz YDCHIBZPXVELOB-VAWYXSNFSA-N 0 0 249.329 3.925 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccccc1C(C)=O ZINC000920217257 642455316 /nfs/dbraw/zinc/45/53/16/642455316.db2.gz SKONJAMFACTTJB-KHPPLWFESA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccccc1C(C)=O ZINC000920217259 642455550 /nfs/dbraw/zinc/45/55/50/642455550.db2.gz SKONJAMFACTTJB-ZHACJKMWSA-N 0 0 245.322 3.574 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1c(C)cccc1C ZINC000920217301 642455061 /nfs/dbraw/zinc/45/50/61/642455061.db2.gz SYDIQMGZYBPMER-KHPPLWFESA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1c(C)cccc1C ZINC000920217302 642455536 /nfs/dbraw/zinc/45/55/36/642455536.db2.gz SYDIQMGZYBPMER-ZHACJKMWSA-N 0 0 231.339 3.988 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)Cc1cccc(C)c1 ZINC000920217343 642455449 /nfs/dbraw/zinc/45/54/49/642455449.db2.gz GZQVCHXRSLRGGF-ACCUITESSA-N 0 0 245.366 3.700 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)Cc1cccc(C)c1 ZINC000920217346 642454912 /nfs/dbraw/zinc/45/49/12/642454912.db2.gz GZQVCHXRSLRGGF-QBFSEMIESA-N 0 0 245.366 3.700 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@H](C)c1ccco1 ZINC000920217348 642454080 /nfs/dbraw/zinc/45/40/80/642454080.db2.gz HBBZKTASUBTMEO-HCRIHEDKSA-N 0 0 235.327 3.545 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@@H](C)c1ccco1 ZINC000920217351 642454247 /nfs/dbraw/zinc/45/42/47/642454247.db2.gz HBBZKTASUBTMEO-IIANPFDCSA-N 0 0 235.327 3.545 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@H](C)c1ccco1 ZINC000920217353 642455736 /nfs/dbraw/zinc/45/57/36/642455736.db2.gz HBBZKTASUBTMEO-NLYDNYMLSA-N 0 0 235.327 3.545 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@@H](C)c1ccco1 ZINC000920217355 642454730 /nfs/dbraw/zinc/45/47/30/642454730.db2.gz HBBZKTASUBTMEO-WEHUKYGOSA-N 0 0 235.327 3.545 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccccc1OCC ZINC000920217384 642456803 /nfs/dbraw/zinc/45/68/03/642456803.db2.gz VCQZAMRVVSRLAK-QXMHVHEDSA-N 0 0 247.338 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccccc1OCC ZINC000920217386 642457602 /nfs/dbraw/zinc/45/76/02/642457602.db2.gz VCQZAMRVVSRLAK-VAWYXSNFSA-N 0 0 247.338 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)c1ccccc1F ZINC000920217395 642457481 /nfs/dbraw/zinc/45/74/81/642457481.db2.gz HKJVVCVOGUUEOG-QXMHVHEDSA-N 0 0 249.329 3.925 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)c1ccccc1F ZINC000920217398 642457368 /nfs/dbraw/zinc/45/73/68/642457368.db2.gz HKJVVCVOGUUEOG-VAWYXSNFSA-N 0 0 249.329 3.925 20 0 BHADRN CCC/C(C)=C\C(=O)NC1CCC(CC)CC1 ZINC000920217434 642456459 /nfs/dbraw/zinc/45/64/59/642456459.db2.gz HYSRDYAQKOMXTB-QXMHVHEDSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C/C(=O)NC1CCC(CC)CC1 ZINC000920217435 642457469 /nfs/dbraw/zinc/45/74/69/642457469.db2.gz HYSRDYAQKOMXTB-VAWYXSNFSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC(C)C)CC(C)C ZINC000920217730 642456530 /nfs/dbraw/zinc/45/65/30/642456530.db2.gz BCMSXJJLIJZKQA-NTEUORMPSA-N 0 0 239.403 3.873 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC(C)C)CC(C)C ZINC000920217731 642457327 /nfs/dbraw/zinc/45/73/27/642457327.db2.gz BCMSXJJLIJZKQA-ZROIWOOFSA-N 0 0 239.403 3.873 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1ccc(OCC)cc1 ZINC000920217842 642456685 /nfs/dbraw/zinc/45/66/85/642456685.db2.gz XSVFREZZGZTKGU-QXMHVHEDSA-N 0 0 248.322 3.737 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1ccc(OCC)cc1 ZINC000920217844 642457501 /nfs/dbraw/zinc/45/75/01/642457501.db2.gz XSVFREZZGZTKGU-VAWYXSNFSA-N 0 0 248.322 3.737 20 0 BHADRN CCC/C(C)=C/C(=O)N(CCC(C)C)C1CC1 ZINC000920217939 642457302 /nfs/dbraw/zinc/45/73/02/642457302.db2.gz KLJNHZJJIBNMSU-ACCUITESSA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)N(CCC(C)C)C1CC1 ZINC000920217940 642457926 /nfs/dbraw/zinc/45/79/26/642457926.db2.gz KLJNHZJJIBNMSU-QBFSEMIESA-N 0 0 237.387 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000920218014 642457882 /nfs/dbraw/zinc/45/78/82/642457882.db2.gz LHYKRTIIRFRTCQ-FLLGMSFISA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000920218016 642456395 /nfs/dbraw/zinc/45/63/95/642456395.db2.gz LHYKRTIIRFRTCQ-HYIALHFSSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000920218017 642457512 /nfs/dbraw/zinc/45/75/12/642457512.db2.gz LHYKRTIIRFRTCQ-RDXWKTGZSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000920218019 642457680 /nfs/dbraw/zinc/45/76/80/642457680.db2.gz LHYKRTIIRFRTCQ-VRDJSOLYSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N1CCCCCCC1 ZINC000920218249 642456566 /nfs/dbraw/zinc/45/65/66/642456566.db2.gz ZLXWNWQKTHBNRQ-OUKQBFOZSA-N 0 0 223.360 3.526 20 0 BHADRN CCC/C(C)=C\C(=O)N1CCCCCCC1 ZINC000920218252 642457624 /nfs/dbraw/zinc/45/76/24/642457624.db2.gz ZLXWNWQKTHBNRQ-SEYXRHQNSA-N 0 0 223.360 3.526 20 0 BHADRN CCC/C(C)=C/C(=O)NC1[C@H](C)CCC[C@@H]1C ZINC000920218461 642457960 /nfs/dbraw/zinc/45/79/60/642457960.db2.gz MJYOBWHQSGOLOU-GTOWBJHQSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000920218462 642457598 /nfs/dbraw/zinc/45/75/98/642457598.db2.gz MJYOBWHQSGOLOU-HRFIDBLHSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000920218463 642456421 /nfs/dbraw/zinc/45/64/21/642456421.db2.gz MJYOBWHQSGOLOU-QVDRPMGRSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C\C(=O)NC1[C@H](C)CCC[C@@H]1C ZINC000920218464 642456615 /nfs/dbraw/zinc/45/66/15/642456615.db2.gz MJYOBWHQSGOLOU-USCCNJICSA-N 0 0 237.387 3.674 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@H](C)C(C)(C)C ZINC000920218491 642457748 /nfs/dbraw/zinc/45/77/48/642457748.db2.gz MZVVLYYMOFVTAM-HCRIHEDKSA-N 0 0 225.376 3.626 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000920218492 642457338 /nfs/dbraw/zinc/45/73/38/642457338.db2.gz MZVVLYYMOFVTAM-IIANPFDCSA-N 0 0 225.376 3.626 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@H](C)C(C)(C)C ZINC000920218493 642456528 /nfs/dbraw/zinc/45/65/28/642456528.db2.gz MZVVLYYMOFVTAM-NLYDNYMLSA-N 0 0 225.376 3.626 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000920218494 642456496 /nfs/dbraw/zinc/45/64/96/642456496.db2.gz MZVVLYYMOFVTAM-WEHUKYGOSA-N 0 0 225.376 3.626 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)C1CCCCC1 ZINC000920218609 642456480 /nfs/dbraw/zinc/45/64/80/642456480.db2.gz DTRYIPRQFWAWQC-OUKQBFOZSA-N 0 0 237.387 3.914 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)C1CCCCC1 ZINC000920218610 642456416 /nfs/dbraw/zinc/45/64/16/642456416.db2.gz DTRYIPRQFWAWQC-SEYXRHQNSA-N 0 0 237.387 3.914 20 0 BHADRN CCC/C(C)=C\C(=O)NCc1ccc(C)cc1C ZINC000920218789 642456629 /nfs/dbraw/zinc/45/66/29/642456629.db2.gz NYPHBFVNNKJDPF-BENRWUELSA-N 0 0 245.366 3.666 20 0 BHADRN CCC/C(C)=C/C(=O)NCc1ccc(C)cc1C ZINC000920218798 642457723 /nfs/dbraw/zinc/45/77/23/642457723.db2.gz NYPHBFVNNKJDPF-ZRDIBKRKSA-N 0 0 245.366 3.666 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)C1CCCC1 ZINC000920218846 642457948 /nfs/dbraw/zinc/45/79/48/642457948.db2.gz OPUMVZNNYQCYOE-QXMHVHEDSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)C1CCCC1 ZINC000920218848 642457215 /nfs/dbraw/zinc/45/72/15/642457215.db2.gz OPUMVZNNYQCYOE-VAWYXSNFSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C(C)=C/C(=O)N(CCC)CC(C)C ZINC000920218878 642457151 /nfs/dbraw/zinc/45/71/51/642457151.db2.gz ISCDKMUKVBYAPL-JLHYYAGUSA-N 0 0 225.376 3.627 20 0 BHADRN CCC/C(C)=C\C(=O)N(CCC)CC(C)C ZINC000920218879 642457714 /nfs/dbraw/zinc/45/77/14/642457714.db2.gz ISCDKMUKVBYAPL-RAXLEYEMSA-N 0 0 225.376 3.627 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC(C)C)C(C)C ZINC000920218896 642457158 /nfs/dbraw/zinc/45/71/58/642457158.db2.gz ITDDGPWZFBXLFB-LCYFTJDESA-N 0 0 225.376 3.626 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC(C)C)C(C)C ZINC000920218899 642457532 /nfs/dbraw/zinc/45/75/32/642457532.db2.gz ITDDGPWZFBXLFB-UKTHLTGXSA-N 0 0 225.376 3.626 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1c(C)cc(C)nc1C ZINC000920219101 642456819 /nfs/dbraw/zinc/45/68/19/642456819.db2.gz GXGRJEZYYACLAA-CSKARUKUSA-N 0 0 246.354 3.692 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1c(C)cc(C)nc1C ZINC000920219104 642457232 /nfs/dbraw/zinc/45/72/32/642457232.db2.gz GXGRJEZYYACLAA-NTMALXAHSA-N 0 0 246.354 3.692 20 0 BHADRN CCCCN(C(=O)/C=C(/C)CCC)C1CC1 ZINC000920219108 642456398 /nfs/dbraw/zinc/45/63/98/642456398.db2.gz JHUZOORTCITBOV-QXMHVHEDSA-N 0 0 223.360 3.524 20 0 BHADRN CCCCN(C(=O)/C=C(\C)CCC)C1CC1 ZINC000920219109 642457575 /nfs/dbraw/zinc/45/75/75/642457575.db2.gz JHUZOORTCITBOV-VAWYXSNFSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C(C)=C\C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000920219243 642456661 /nfs/dbraw/zinc/45/66/61/642456661.db2.gz KHEOEHAKSIZLCV-KXXVWKPMSA-N 0 0 237.387 3.768 20 0 BHADRN CCC/C(C)=C/C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000920219246 642457855 /nfs/dbraw/zinc/45/78/55/642457855.db2.gz KHEOEHAKSIZLCV-RSKUSDAESA-N 0 0 237.387 3.768 20 0 BHADRN CCC/C(C)=C\C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000920219248 642457271 /nfs/dbraw/zinc/45/72/71/642457271.db2.gz KHEOEHAKSIZLCV-UKVQZPPCSA-N 0 0 237.387 3.768 20 0 BHADRN CCC/C(C)=C/C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000920219250 642456574 /nfs/dbraw/zinc/45/65/74/642456574.db2.gz KHEOEHAKSIZLCV-XSNHNAGMSA-N 0 0 237.387 3.768 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc(COC)c1 ZINC000920219264 642457476 /nfs/dbraw/zinc/45/74/76/642457476.db2.gz KJJCMALSHCYWEY-FMIVXFBMSA-N 0 0 247.338 3.518 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc(COC)c1 ZINC000920219268 642456508 /nfs/dbraw/zinc/45/65/08/642456508.db2.gz KJJCMALSHCYWEY-XFXZXTDPSA-N 0 0 247.338 3.518 20 0 BHADRN CCC/C(C)=C/C(=O)NCCCC1CCCC1 ZINC000920219308 642457111 /nfs/dbraw/zinc/45/71/11/642457111.db2.gz QWSUBRHVICPUIA-OUKQBFOZSA-N 0 0 237.387 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)NCCCC1CCCC1 ZINC000920219311 642457033 /nfs/dbraw/zinc/45/70/33/642457033.db2.gz QWSUBRHVICPUIA-SEYXRHQNSA-N 0 0 237.387 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)N(C1CC1)C1CCCC1 ZINC000920219442 642456400 /nfs/dbraw/zinc/45/64/00/642456400.db2.gz SJANBTATMHRIJW-QXMHVHEDSA-N 0 0 235.371 3.666 20 0 BHADRN CCC/C(C)=C/C(=O)N(C1CC1)C1CCCC1 ZINC000920219443 642457569 /nfs/dbraw/zinc/45/75/69/642457569.db2.gz SJANBTATMHRIJW-VAWYXSNFSA-N 0 0 235.371 3.666 20 0 BHADRN CCC/C(C)=C/C(=O)NCCC1CCCCC1 ZINC000920219450 642457456 /nfs/dbraw/zinc/45/74/56/642457456.db2.gz LTXPULTZBDTWNC-OUKQBFOZSA-N 0 0 237.387 3.819 20 0 BHADRN CCC/C(C)=C\C(=O)NCCC1CCCCC1 ZINC000920219451 642456475 /nfs/dbraw/zinc/45/64/75/642456475.db2.gz LTXPULTZBDTWNC-SEYXRHQNSA-N 0 0 237.387 3.819 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000920219523 642457824 /nfs/dbraw/zinc/45/78/24/642457824.db2.gz SLQTXBDSGGTAHI-CMPYXILNSA-N 0 0 245.366 3.919 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@H](C)c1ccccc1C ZINC000920219524 642457721 /nfs/dbraw/zinc/45/77/21/642457721.db2.gz XFJRQTKCLIVTIE-GCZGRYASSA-N 0 0 245.366 3.919 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000920219526 642456533 /nfs/dbraw/zinc/45/65/33/642456533.db2.gz SLQTXBDSGGTAHI-FZDNWWAKSA-N 0 0 245.366 3.919 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H](C)c1ccccc1C ZINC000920219527 642457401 /nfs/dbraw/zinc/45/74/01/642457401.db2.gz XFJRQTKCLIVTIE-GETOMWPZSA-N 0 0 245.366 3.919 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000920219529 642457831 /nfs/dbraw/zinc/45/78/31/642457831.db2.gz SLQTXBDSGGTAHI-YBEMTRGBSA-N 0 0 245.366 3.919 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H](C)c1ccccc1C ZINC000920219530 642458007 /nfs/dbraw/zinc/45/80/07/642458007.db2.gz XFJRQTKCLIVTIE-NYHXXUGCSA-N 0 0 245.366 3.919 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000920219532 642456408 /nfs/dbraw/zinc/45/64/08/642456408.db2.gz SLQTXBDSGGTAHI-YPDDLIOESA-N 0 0 245.366 3.919 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@H](C)c1ccccc1C ZINC000920219533 642457553 /nfs/dbraw/zinc/45/75/53/642457553.db2.gz XFJRQTKCLIVTIE-XMXAVACDSA-N 0 0 245.366 3.919 20 0 BHADRN CCC/C(C)=C/C(=O)N(Cc1ccco1)C(C)C ZINC000920219671 642459310 /nfs/dbraw/zinc/45/93/10/642459310.db2.gz VAMMRNRRGGKOKT-JLHYYAGUSA-N 0 0 249.354 3.763 20 0 BHADRN CCC/C(C)=C\C(=O)N(Cc1ccco1)C(C)C ZINC000920219673 642459369 /nfs/dbraw/zinc/45/93/69/642459369.db2.gz VAMMRNRRGGKOKT-RAXLEYEMSA-N 0 0 249.354 3.763 20 0 BHADRN CCC/C(C)=C\C(=O)Oc1ccc(C)cc1C ZINC000920219728 642459409 /nfs/dbraw/zinc/45/94/09/642459409.db2.gz YOPSCVBMCVSCOA-KHPPLWFESA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C/C(=O)Oc1ccc(C)cc1C ZINC000920219730 642458729 /nfs/dbraw/zinc/45/87/29/642458729.db2.gz YOPSCVBMCVSCOA-ZHACJKMWSA-N 0 0 232.323 3.955 20 0 BHADRN CCC/C(C)=C\C(=O)N(CC)c1cccc(F)c1 ZINC000920219914 642458453 /nfs/dbraw/zinc/45/84/53/642458453.db2.gz QWFVGBBQTWATRV-BENRWUELSA-N 0 0 249.329 3.925 20 0 BHADRN CCC/C(C)=C/C(=O)N(CC)c1cccc(F)c1 ZINC000920219915 642459514 /nfs/dbraw/zinc/45/95/14/642459514.db2.gz QWFVGBBQTWATRV-ZRDIBKRKSA-N 0 0 249.329 3.925 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cc(F)cc(F)c1 ZINC000920220113 642458976 /nfs/dbraw/zinc/45/89/76/642458976.db2.gz ORJDMCOPVNMIHV-UITAMQMPSA-N 0 0 239.265 3.650 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cc(F)cc(F)c1 ZINC000920220114 642459280 /nfs/dbraw/zinc/45/92/80/642459280.db2.gz ORJDMCOPVNMIHV-WEVVVXLNSA-N 0 0 239.265 3.650 20 0 BHADRN CCC/C(C)=C/C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000920220385 642459900 /nfs/dbraw/zinc/45/99/00/642459900.db2.gz VTGYEYMRFFHORO-HCRIHEDKSA-N 0 0 235.371 3.522 20 0 BHADRN CCC/C(C)=C/C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000920220386 642459516 /nfs/dbraw/zinc/45/95/16/642459516.db2.gz VTGYEYMRFFHORO-IIANPFDCSA-N 0 0 235.371 3.522 20 0 BHADRN CCC/C(C)=C\C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000920220387 642458441 /nfs/dbraw/zinc/45/84/41/642458441.db2.gz VTGYEYMRFFHORO-NLYDNYMLSA-N 0 0 235.371 3.522 20 0 BHADRN CCC/C(C)=C\C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000920220388 642459560 /nfs/dbraw/zinc/45/95/60/642459560.db2.gz VTGYEYMRFFHORO-WEHUKYGOSA-N 0 0 235.371 3.522 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)C1CCCCCC1 ZINC000920220427 642458414 /nfs/dbraw/zinc/45/84/14/642458414.db2.gz QNEJIUBKGNXEJM-OUKQBFOZSA-N 0 0 237.387 3.914 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)C1CCCCCC1 ZINC000920220428 642459534 /nfs/dbraw/zinc/45/95/34/642459534.db2.gz QNEJIUBKGNXEJM-SEYXRHQNSA-N 0 0 237.387 3.914 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)c1ccc(F)cc1 ZINC000920220635 642459639 /nfs/dbraw/zinc/45/96/39/642459639.db2.gz BGMFBPXZTNSYOS-KHPPLWFESA-N 0 0 235.302 3.535 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)c1ccc(F)cc1 ZINC000920220636 642459386 /nfs/dbraw/zinc/45/93/86/642459386.db2.gz BGMFBPXZTNSYOS-ZHACJKMWSA-N 0 0 235.302 3.535 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccccc1COC ZINC000920221665 642459146 /nfs/dbraw/zinc/45/91/46/642459146.db2.gz NXZIZNAXYFNFSQ-BENRWUELSA-N 0 0 247.338 3.518 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccccc1COC ZINC000920221666 642458547 /nfs/dbraw/zinc/45/85/47/642458547.db2.gz NXZIZNAXYFNFSQ-ZRDIBKRKSA-N 0 0 247.338 3.518 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000920221998 642459413 /nfs/dbraw/zinc/45/94/13/642459413.db2.gz QTFIQAYZDOPNOR-BFPJXGRPSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000920221999 642458666 /nfs/dbraw/zinc/45/86/66/642458666.db2.gz QTFIQAYZDOPNOR-CYUAOAIUSA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000920222000 642459030 /nfs/dbraw/zinc/45/90/30/642459030.db2.gz QTFIQAYZDOPNOR-MRUDHYOASA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000920222001 642459774 /nfs/dbraw/zinc/45/97/74/642459774.db2.gz QTFIQAYZDOPNOR-QDLRVKAISA-N 0 0 237.387 3.818 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1cccc(OCC)c1 ZINC000920222156 642459327 /nfs/dbraw/zinc/45/93/27/642459327.db2.gz QSPMLIXTLUBAHJ-BENRWUELSA-N 0 0 247.338 3.770 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1cccc(OCC)c1 ZINC000920222157 642459622 /nfs/dbraw/zinc/45/96/22/642459622.db2.gz QSPMLIXTLUBAHJ-ZRDIBKRKSA-N 0 0 247.338 3.770 20 0 BHADRN CCC/C(C)=C\C(=O)Nc1ccc(C)cc1OC ZINC000920222194 642459058 /nfs/dbraw/zinc/45/90/58/642459058.db2.gz SAMMNFFZMDMNMN-KHPPLWFESA-N 0 0 247.338 3.689 20 0 BHADRN CCC/C(C)=C/C(=O)Nc1ccc(C)cc1OC ZINC000920222195 642459775 /nfs/dbraw/zinc/45/97/75/642459775.db2.gz SAMMNFFZMDMNMN-ZHACJKMWSA-N 0 0 247.338 3.689 20 0 BHADRN CCC/C(C)=C\C(=O)N(C(CC)CC)C1CC1 ZINC000920222678 642458470 /nfs/dbraw/zinc/45/84/70/642458470.db2.gz XUXREIVMYBUAQQ-QXMHVHEDSA-N 0 0 237.387 3.912 20 0 BHADRN CCC/C(C)=C/C(=O)N(C(CC)CC)C1CC1 ZINC000920222679 642461449 /nfs/dbraw/zinc/46/14/49/642461449.db2.gz 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223.360 3.572 20 0 BHADRN CC/C=C(\C)C(=O)OCc1ccc(Cl)s1 ZINC000920224487 642462494 /nfs/dbraw/zinc/46/24/94/642462494.db2.gz GPKGQBGPJGFZED-XBXARRHUSA-N 0 0 244.743 3.801 20 0 BHADRN CC/C=C(/C)C(=O)OCc1ccc(Cl)s1 ZINC000920224488 642460783 /nfs/dbraw/zinc/46/07/83/642460783.db2.gz GPKGQBGPJGFZED-YWEYNIOJSA-N 0 0 244.743 3.801 20 0 BHADRN CCC/C(C)=C/C(=O)NCC1CCC(C)CC1 ZINC000920224553 642460654 /nfs/dbraw/zinc/46/06/54/642460654.db2.gz IOCTVNUURSNYGJ-JLHYYAGUSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C(C)=C\C(=O)NCC1CCC(C)CC1 ZINC000920224554 642460534 /nfs/dbraw/zinc/46/05/34/642460534.db2.gz IOCTVNUURSNYGJ-RAXLEYEMSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C(C)=C\C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000920225222 642460390 /nfs/dbraw/zinc/46/03/90/642460390.db2.gz UTHHZMMFJRVJHG-HVDISPMTSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C(C)=C\C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000920225223 642462027 /nfs/dbraw/zinc/46/20/27/642462027.db2.gz UTHHZMMFJRVJHG-WXLZEUHASA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C(C)=C/C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000920225225 642460869 /nfs/dbraw/zinc/46/08/69/642460869.db2.gz UTHHZMMFJRVJHG-XMNZZIDVSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C(C)=C/C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000920225226 642461230 /nfs/dbraw/zinc/46/12/30/642461230.db2.gz UTHHZMMFJRVJHG-YVAPMFQZSA-N 0 0 237.387 3.675 20 0 BHADRN C/C=C/C=C\C(=O)NC1CCC(CCCC)CC1 ZINC000920227721 642462008 /nfs/dbraw/zinc/46/20/08/642462008.db2.gz AZTMAVNJDAOUNU-PKWCJPJFSA-N 0 0 249.398 3.984 20 0 BHADRN C/C=C/C=C/C(=O)NC1CCC(CCCC)CC1 ZINC000920227723 642460949 /nfs/dbraw/zinc/46/09/49/642460949.db2.gz AZTMAVNJDAOUNU-WJDMQLPWSA-N 0 0 249.398 3.984 20 0 BHADRN CCCCC1CCC(NC(=O)C=C(C)C)CC1 ZINC000920227830 642461484 /nfs/dbraw/zinc/46/14/84/642461484.db2.gz HBIXUKOUAYDMEM-UHFFFAOYSA-N 0 0 237.387 3.818 20 0 BHADRN C[C@H]1CCCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC000920229860 642450310 /nfs/dbraw/zinc/45/03/10/642450310.db2.gz DCSYTKAXBCNNSC-DZGCQCFKSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@@H]1CCCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC000920229861 642451578 /nfs/dbraw/zinc/45/15/78/642451578.db2.gz DCSYTKAXBCNNSC-HIFRSBDPSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@@H]1CCCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC000920229862 642451046 /nfs/dbraw/zinc/45/10/46/642451046.db2.gz DCSYTKAXBCNNSC-UKRRQHHQSA-N 0 0 249.398 3.819 20 0 BHADRN C[C@H]1CCCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC000920229863 642449782 /nfs/dbraw/zinc/44/97/82/642449782.db2.gz DCSYTKAXBCNNSC-ZFWWWQNUSA-N 0 0 249.398 3.819 20 0 BHADRN CCC/C(C)=C/C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000920230698 642451203 /nfs/dbraw/zinc/45/12/03/642451203.db2.gz VMCRPFCOZSNTDY-GVZVPMNBSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C(C)=C/C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000920230700 642450423 /nfs/dbraw/zinc/45/04/23/642450423.db2.gz VMCRPFCOZSNTDY-IRTDIPEASA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C(C)=C\C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000920230701 642451486 /nfs/dbraw/zinc/45/14/86/642451486.db2.gz VMCRPFCOZSNTDY-XQPOUDKPSA-N 0 0 237.387 3.675 20 0 BHADRN CCC/C(C)=C\C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000920230703 642449911 /nfs/dbraw/zinc/44/99/11/642449911.db2.gz VMCRPFCOZSNTDY-ZFRJQFIBSA-N 0 0 237.387 3.675 20 0 BHADRN CCCCCCC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000920230734 642451279 /nfs/dbraw/zinc/45/12/79/642451279.db2.gz WMSDQYFZEXOKKF-KBPBESRZSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCCC(=O)NC[C@@H]1CCCC[C@H]1C ZINC000920230735 642450508 /nfs/dbraw/zinc/45/05/08/642450508.db2.gz WMSDQYFZEXOKKF-KGLIPLIRSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCCC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000920230736 642450103 /nfs/dbraw/zinc/45/01/03/642450103.db2.gz WMSDQYFZEXOKKF-UONOGXRCSA-N 0 0 239.403 3.899 20 0 BHADRN CCCCCCC(=O)NC[C@H]1CCCC[C@H]1C ZINC000920230737 642450876 /nfs/dbraw/zinc/45/08/76/642450876.db2.gz WMSDQYFZEXOKKF-ZIAGYGMSSA-N 0 0 239.403 3.899 20 0 BHADRN CC(C)=CC(=O)N(C)c1cccc(C(C)C)c1 ZINC000920280828 642464318 /nfs/dbraw/zinc/46/43/18/642464318.db2.gz UBRHALOBOWOPRJ-UHFFFAOYSA-N 0 0 231.339 3.739 20 0 BHADRN C/C=C/C=C\C(=O)N(C)c1cccc(C(C)C)c1 ZINC000920280849 642464680 /nfs/dbraw/zinc/46/46/80/642464680.db2.gz VNHVAJWSCUURKE-VLHCFCLRSA-N 0 0 243.350 3.905 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@@H]1CCCc2occc21 ZINC000920287491 711880884 /nfs/dbraw/zinc/88/08/84/711880884.db2.gz DFWOLYOTAUMRGY-BSYHEUMXSA-N 0 0 247.338 3.520 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@H]1CCCc2occc21 ZINC000920287494 711880811 /nfs/dbraw/zinc/88/08/11/711880811.db2.gz DFWOLYOTAUMRGY-NHAQELONSA-N 0 0 247.338 3.520 20 0 BHADRN CCC/C(C)=C/C(=O)N[C@@H]1CCCc2occc21 ZINC000920287497 711880862 /nfs/dbraw/zinc/88/08/62/711880862.db2.gz DFWOLYOTAUMRGY-OCHBPSSRSA-N 0 0 247.338 3.520 20 0 BHADRN CCC/C(C)=C\C(=O)N[C@H]1CCCc2occc21 ZINC000920287498 711880803 /nfs/dbraw/zinc/88/08/03/711880803.db2.gz DFWOLYOTAUMRGY-OEYXZAGESA-N 0 0 247.338 3.520 20 0 BHADRN CCC/C(C)=C/C(=O)N(C)CC1CCCCC1 ZINC000920287795 711880918 /nfs/dbraw/zinc/88/09/18/711880918.db2.gz HEPAGGRSYGTWAV-ACCUITESSA-N 0 0 237.387 3.772 20 0 BHADRN CCC/C(C)=C\C(=O)N(C)CC1CCCCC1 ZINC000920287797 711880973 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CVUMIJMVLGUKIK-CNELAYHGSA-N 0 0 225.376 3.818 20 0 BHADRN CCC/C=C\C(=O)N[C@H](C)CCCCCC ZINC000920441024 642492051 /nfs/dbraw/zinc/49/20/51/642492051.db2.gz CVUMIJMVLGUKIK-KIWPFMIBSA-N 0 0 225.376 3.818 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](C)CCCCCC ZINC000920441025 642493538 /nfs/dbraw/zinc/49/35/38/642493538.db2.gz CVUMIJMVLGUKIK-SRXBQZRASA-N 0 0 225.376 3.818 20 0 BHADRN CCC/C=C\C(=O)N[C@@H](C)CCCCCC ZINC000920441027 642492761 /nfs/dbraw/zinc/49/27/61/642492761.db2.gz CVUMIJMVLGUKIK-SUIFULHWSA-N 0 0 225.376 3.818 20 0 BHADRN CCC/C=C\C(=O)N[C@H](c1ccccc1)C(C)C ZINC000920441150 642493011 /nfs/dbraw/zinc/49/30/11/642493011.db2.gz GDTKARZXZIYPNS-FGLWMGOFSA-N 0 0 245.366 3.856 20 0 BHADRN CCC/C=C\C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000920441151 642493647 /nfs/dbraw/zinc/49/36/47/642493647.db2.gz GDTKARZXZIYPNS-JQPKSGMCSA-N 0 0 245.366 3.856 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000920441152 642493265 /nfs/dbraw/zinc/49/32/65/642493265.db2.gz GDTKARZXZIYPNS-NYUWMOHMSA-N 0 0 245.366 3.856 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)C[C@@H](C)C1CC1 ZINC000920441280 642493579 /nfs/dbraw/zinc/49/35/79/642493579.db2.gz VKGJQNUDCCNBNQ-CHWSQXEVSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](CC)CNC(=O)C[C@@H](C)C1CC1 ZINC000920441281 642492171 /nfs/dbraw/zinc/49/21/71/642492171.db2.gz VKGJQNUDCCNBNQ-OLZOCXBDSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@@H](CC)CNC(=O)C[C@H](C)C1CC1 ZINC000920441283 642493866 /nfs/dbraw/zinc/49/38/66/642493866.db2.gz VKGJQNUDCCNBNQ-QWHCGFSZSA-N 0 0 239.403 3.755 20 0 BHADRN CCCC[C@H](CC)CNC(=O)C[C@H](C)C1CC1 ZINC000920441284 642493605 /nfs/dbraw/zinc/49/36/05/642493605.db2.gz VKGJQNUDCCNBNQ-STQMWFEESA-N 0 0 239.403 3.755 20 0 BHADRN CCC/C=C/C(=O)N(Cc1ccccc1)C1CC1 ZINC000920441453 642493878 /nfs/dbraw/zinc/49/38/78/642493878.db2.gz HYBYXDOEEISYPT-BJMVGYQFSA-N 0 0 243.350 3.534 20 0 BHADRN CCC/C=C\C(=O)N(Cc1ccccc1)C1CC1 ZINC000920441454 642493592 /nfs/dbraw/zinc/49/35/92/642493592.db2.gz HYBYXDOEEISYPT-YHYXMXQVSA-N 0 0 243.350 3.534 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000920442626 642494949 /nfs/dbraw/zinc/49/49/49/642494949.db2.gz OIMFYAZCPGWBER-BTKRWWFXSA-N 0 0 249.379 3.672 20 0 BHADRN CCC/C=C/C(=O)N[C@H](c1cccs1)C1CC1 ZINC000920442627 642496129 /nfs/dbraw/zinc/49/61/29/642496129.db2.gz OIMFYAZCPGWBER-GBXSZLQWSA-N 0 0 249.379 3.672 20 0 BHADRN CCC/C=C\C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000920442628 642494702 /nfs/dbraw/zinc/49/47/02/642494702.db2.gz OIMFYAZCPGWBER-HJHHMULASA-N 0 0 249.379 3.672 20 0 BHADRN CCC/C=C\C(=O)N[C@H](c1cccs1)C1CC1 ZINC000920442629 642495348 /nfs/dbraw/zinc/49/53/48/642495348.db2.gz OIMFYAZCPGWBER-ZBKLQPJUSA-N 0 0 249.379 3.672 20 0 BHADRN CCC/C=C\C(=O)Nc1cccc2c1CCCC2 ZINC000920442886 642494539 /nfs/dbraw/zinc/49/45/39/642494539.db2.gz PQBCOCCYMMONDT-QCDXTXTGSA-N 0 0 243.350 3.860 20 0 BHADRN CCC/C=C\C(=O)NC(C)(C)CC(C)(C)C ZINC000920444327 642495205 /nfs/dbraw/zinc/49/52/05/642495205.db2.gz DTHYRZXVFVQPRB-KTKRTIGZSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C=C/C(=O)NC(C)(C)CC(C)(C)C ZINC000920444329 642494470 /nfs/dbraw/zinc/49/44/70/642494470.db2.gz DTHYRZXVFVQPRB-MDZDMXLPSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C=C\C(=O)N(CC)c1ccc(F)cc1 ZINC000920444370 642495901 /nfs/dbraw/zinc/49/59/01/642495901.db2.gz FUIWQWRATBAGLM-SREVYHEPSA-N 0 0 235.302 3.535 20 0 BHADRN CCC/C=C/C(=O)N(CC)c1ccc(F)cc1 ZINC000920444373 642495585 /nfs/dbraw/zinc/49/55/85/642495585.db2.gz FUIWQWRATBAGLM-VOTSOKGWSA-N 0 0 235.302 3.535 20 0 BHADRN CCC/C=C/C(=O)N[C@@H](C)CCCC(C)C ZINC000920444660 642494942 /nfs/dbraw/zinc/49/49/42/642494942.db2.gz JHOBRTDDOLVNFA-HJTPGIPUSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C=C\C(=O)N[C@H](C)CCCC(C)C ZINC000920444662 642495757 /nfs/dbraw/zinc/49/57/57/642495757.db2.gz JHOBRTDDOLVNFA-LWMSPQMPSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C=C/C(=O)N[C@H](C)CCCC(C)C ZINC000920444664 642494714 /nfs/dbraw/zinc/49/47/14/642494714.db2.gz JHOBRTDDOLVNFA-SVTZGKHISA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C=C\C(=O)N[C@@H](C)CCCC(C)C ZINC000920444666 642495826 /nfs/dbraw/zinc/49/58/26/642495826.db2.gz JHOBRTDDOLVNFA-YLBKJLTLSA-N 0 0 225.376 3.674 20 0 BHADRN CCC/C=C\C(=O)N(Cc1ccccc1)C(C)C ZINC000920444711 642496120 /nfs/dbraw/zinc/49/61/20/642496120.db2.gz JXZGFTORECJQOQ-GHXNOFRVSA-N 0 0 245.366 3.780 20 0 BHADRN CCC/C=C/C(=O)N(Cc1ccccc1)C(C)C ZINC000920444712 642495769 /nfs/dbraw/zinc/49/57/69/642495769.db2.gz JXZGFTORECJQOQ-KPKJPENVSA-N 0 0 245.366 3.780 20 0 BHADRN CCC/C=C\C(=O)N(C)C1CCCCCC1 ZINC000920445513 642495148 /nfs/dbraw/zinc/49/51/48/642495148.db2.gz WWYIZFFXOMLAPV-GHXNOFRVSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C=C/C(=O)N(C)C1CCCCCC1 ZINC000920445514 642495035 /nfs/dbraw/zinc/49/50/35/642495035.db2.gz WWYIZFFXOMLAPV-KPKJPENVSA-N 0 0 223.360 3.524 20 0 BHADRN CCC/C=C\C(=O)N(Cc1cccs1)C1CC1 ZINC000920447468 642495965 /nfs/dbraw/zinc/49/59/65/642495965.db2.gz HUZQABDQCSKFPI-DAXSKMNVSA-N 0 0 249.379 3.595 20 0 BHADRN CCC/C=C/C(=O)N(Cc1cccs1)C1CC1 ZINC000920447473 642494440 /nfs/dbraw/zinc/49/44/40/642494440.db2.gz HUZQABDQCSKFPI-QPJJXVBHSA-N 0 0 249.379 3.595 20 0 BHADRN CCC/C=C\C(=O)NC[C@@H](CC)CCCC ZINC000920447678 642496764 /nfs/dbraw/zinc/49/67/64/642496764.db2.gz SKAIALLZVWWTHG-FUWURINLSA-N 0 0 225.376 3.675 20 0 BHADRN CCC/C=C\C(=O)NC[C@H](CC)CCCC ZINC000920447679 642497872 /nfs/dbraw/zinc/49/78/72/642497872.db2.gz SKAIALLZVWWTHG-PRWOLLLXSA-N 0 0 225.376 3.675 20 0 BHADRN CCC/C=C/C(=O)NC[C@@H](CC)CCCC ZINC000920447681 642497604 /nfs/dbraw/zinc/49/76/04/642497604.db2.gz SKAIALLZVWWTHG-STRFDMGBSA-N 0 0 225.376 3.675 20 0 BHADRN CCC/C=C/C(=O)NC[C@H](CC)CCCC ZINC000920447682 642496980 /nfs/dbraw/zinc/49/69/80/642496980.db2.gz SKAIALLZVWWTHG-YGNAEDSMSA-N 0 0 225.376 3.675 20 0 BHADRN CCC/C=C\C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000920448363 642497658 /nfs/dbraw/zinc/49/76/58/642497658.db2.gz BGCTUHRFLOQSCY-FMFIFOJESA-N 0 0 231.339 3.529 20 0 BHADRN CCC/C=C\C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000920448364 642497991 /nfs/dbraw/zinc/49/79/91/642497991.db2.gz BGCTUHRFLOQSCY-FWWRYZNZSA-N 0 0 231.339 3.529 20 0 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/nfs/dbraw/zinc/71/43/63/711714363.db2.gz IHBTVADWCVCJRE-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN Cc1ccc(N[C@H](C)c2ncco2)cc1Cl ZINC000925718585 646443158 /nfs/dbraw/zinc/44/31/58/646443158.db2.gz NRRUYIBVPKANJC-SECBINFHSA-N 0 0 236.702 3.810 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ncco2)cc1Cl ZINC000925718586 646442723 /nfs/dbraw/zinc/44/27/23/646442723.db2.gz NRRUYIBVPKANJC-VIFPVBQESA-N 0 0 236.702 3.810 20 0 BHADRN Cc1ccc(N[C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000925718896 646442465 /nfs/dbraw/zinc/44/24/65/646442465.db2.gz JZIVLICWCMHBNJ-GDBMZVCRSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(N[C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000925718897 711714874 /nfs/dbraw/zinc/71/48/74/711714874.db2.gz JZIVLICWCMHBNJ-GOEBONIOSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(N[C@@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000925718899 711715078 /nfs/dbraw/zinc/71/50/78/711715078.db2.gz JZIVLICWCMHBNJ-HOCLYGCPSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000925718901 711715018 /nfs/dbraw/zinc/71/50/18/711715018.db2.gz JZIVLICWCMHBNJ-ZBFHGGJFSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1noc(C)c1[C@@H](C)Nc1ccc(F)cc1 ZINC000925719288 646443668 /nfs/dbraw/zinc/44/36/68/646443668.db2.gz NXQDVHQCXMSQSC-MRVPVSSYSA-N 0 0 234.274 3.604 20 0 BHADRN Cc1noc(C)c1[C@H](C)Nc1ccc(F)cc1 ZINC000925719289 646444614 /nfs/dbraw/zinc/44/46/14/646444614.db2.gz NXQDVHQCXMSQSC-QMMMGPOBSA-N 0 0 234.274 3.604 20 0 BHADRN Cc1noc(C)c1[C@@H](C)Nc1cccc(F)c1 ZINC000925719495 646444889 /nfs/dbraw/zinc/44/48/89/646444889.db2.gz NZMCIFIZHSFDEW-MRVPVSSYSA-N 0 0 234.274 3.604 20 0 BHADRN Cc1noc(C)c1[C@H](C)Nc1cccc(F)c1 ZINC000925719496 646444603 /nfs/dbraw/zinc/44/46/03/646444603.db2.gz NZMCIFIZHSFDEW-QMMMGPOBSA-N 0 0 234.274 3.604 20 0 BHADRN Cc1nc2c(o1)CCC[C@H]2Nc1ccc(F)cc1 ZINC000925719619 634456822 /nfs/dbraw/zinc/45/68/22/634456822.db2.gz PQQXOPOBCWOKME-GFCCVEGCSA-N 0 0 246.285 3.612 20 0 BHADRN Cc1nc2c(o1)CCC[C@@H]2Nc1ccc(F)cc1 ZINC000925719620 634456553 /nfs/dbraw/zinc/45/65/53/634456553.db2.gz PQQXOPOBCWOKME-LBPRGKRZSA-N 0 0 246.285 3.612 20 0 BHADRN CSc1cccc(N[C@H](C)c2ncco2)c1 ZINC000925719728 646444447 /nfs/dbraw/zinc/44/44/47/646444447.db2.gz VEMAFLWLOCDDHH-SECBINFHSA-N 0 0 234.324 3.570 20 0 BHADRN CSc1cccc(N[C@@H](C)c2ncco2)c1 ZINC000925719729 646444712 /nfs/dbraw/zinc/44/47/12/646444712.db2.gz VEMAFLWLOCDDHH-VIFPVBQESA-N 0 0 234.324 3.570 20 0 BHADRN Cc1noc(C)c1[C@H](C)Nc1ccc(C)cc1 ZINC000925719932 646444688 /nfs/dbraw/zinc/44/46/88/646444688.db2.gz QKYOGOKPSNOOCV-JTQLQIEISA-N 0 0 230.311 3.773 20 0 BHADRN Cc1noc(C)c1[C@@H](C)Nc1ccc(C)cc1 ZINC000925719933 646444425 /nfs/dbraw/zinc/44/44/25/646444425.db2.gz QKYOGOKPSNOOCV-SNVBAGLBSA-N 0 0 230.311 3.773 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccns2)cc1 ZINC000925721058 646446339 /nfs/dbraw/zinc/44/63/39/646446339.db2.gz XPFLXPDBFNNVFX-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccns2)cc1 ZINC000925721059 646445682 /nfs/dbraw/zinc/44/56/82/646445682.db2.gz XPFLXPDBFNNVFX-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccns2)cc1F ZINC000925721137 646445865 /nfs/dbraw/zinc/44/58/65/646445865.db2.gz AUIUPWDWLZYKJL-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccns2)cc1F ZINC000925721138 646446939 /nfs/dbraw/zinc/44/69/39/646446939.db2.gz AUIUPWDWLZYKJL-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN CCOc1ccc(N[C@H](C)c2ncco2)c(C)c1 ZINC000925721474 646446100 /nfs/dbraw/zinc/44/61/00/646446100.db2.gz NWZFKLYDAGRGDV-LLVKDONJSA-N 0 0 246.310 3.555 20 0 BHADRN CCOc1ccc(N[C@@H](C)c2ncco2)c(C)c1 ZINC000925721476 646446228 /nfs/dbraw/zinc/44/62/28/646446228.db2.gz NWZFKLYDAGRGDV-NSHDSACASA-N 0 0 246.310 3.555 20 0 BHADRN Cc1cccc(N[C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000925721632 646445909 /nfs/dbraw/zinc/44/59/09/646445909.db2.gz CEDZXFSZYDKFEP-GDBMZVCRSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(N[C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000925721634 646446646 /nfs/dbraw/zinc/44/66/46/646446646.db2.gz CEDZXFSZYDKFEP-GOEBONIOSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(N[C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000925721636 646445834 /nfs/dbraw/zinc/44/58/34/646445834.db2.gz CEDZXFSZYDKFEP-HOCLYGCPSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(N[C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000925721638 646445923 /nfs/dbraw/zinc/44/59/23/646445923.db2.gz CEDZXFSZYDKFEP-ZBFHGGJFSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1ccc(N[C@H](C)Cc2ccccn2)cc1F ZINC000925721940 646445965 /nfs/dbraw/zinc/44/59/65/646445965.db2.gz IICZBEJRSPFFJK-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccc(N[C@@H](C)Cc2ccccn2)cc1F ZINC000925721946 646446777 /nfs/dbraw/zinc/44/67/77/646446777.db2.gz IICZBEJRSPFFJK-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN COc1ccnc([C@@H](C)Nc2cccc(C)c2)c1 ZINC000925721960 711718160 /nfs/dbraw/zinc/71/81/60/711718160.db2.gz FXDPCKTWQGKNAU-GFCCVEGCSA-N 0 0 242.322 3.572 20 0 BHADRN COc1ccnc([C@H](C)Nc2cccc(C)c2)c1 ZINC000925721962 711717604 /nfs/dbraw/zinc/71/76/04/711717604.db2.gz FXDPCKTWQGKNAU-LBPRGKRZSA-N 0 0 242.322 3.572 20 0 BHADRN O=C(NC1(C2CC2)CCC1)[C@@H]1CCC=CCCC1 ZINC000925721999 646446270 /nfs/dbraw/zinc/44/62/70/646446270.db2.gz SHBHFUIRDRTJBI-CYBMUJFWSA-N 0 0 247.382 3.572 20 0 BHADRN O=C(NC1(C2CC2)CCC1)[C@H]1CCC=CCCC1 ZINC000925722002 646448683 /nfs/dbraw/zinc/44/86/83/646448683.db2.gz SHBHFUIRDRTJBI-ZDUSSCGKSA-N 0 0 247.382 3.572 20 0 BHADRN Cc1noc(C)c1[C@H](C)Nc1cccc(C)c1 ZINC000925722016 646448519 /nfs/dbraw/zinc/44/85/19/646448519.db2.gz GFVBRKVNUNHZSK-JTQLQIEISA-N 0 0 230.311 3.773 20 0 BHADRN Cc1noc(C)c1[C@@H](C)Nc1cccc(C)c1 ZINC000925722018 646448481 /nfs/dbraw/zinc/44/84/81/646448481.db2.gz GFVBRKVNUNHZSK-SNVBAGLBSA-N 0 0 230.311 3.773 20 0 BHADRN Cc1cccc(N[C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000925722385 711721899 /nfs/dbraw/zinc/72/18/99/711721899.db2.gz HNLYOHYHTBFGJL-GDBMZVCRSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(N[C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000925722386 711722240 /nfs/dbraw/zinc/72/22/40/711722240.db2.gz HNLYOHYHTBFGJL-GOEBONIOSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(N[C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000925722387 711721882 /nfs/dbraw/zinc/72/18/82/711721882.db2.gz HNLYOHYHTBFGJL-HOCLYGCPSA-N 0 0 245.366 3.612 20 0 BHADRN Cc1cccc(N[C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000925722388 711722125 /nfs/dbraw/zinc/72/21/25/711722125.db2.gz HNLYOHYHTBFGJL-ZBFHGGJFSA-N 0 0 245.366 3.612 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ccns2)cc1 ZINC000925722514 711724211 /nfs/dbraw/zinc/72/42/11/711724211.db2.gz LQTRHBYAWQJLST-JTQLQIEISA-N 0 0 232.352 3.879 20 0 BHADRN CCc1ccc(N[C@H](C)c2ccns2)cc1 ZINC000925722515 711724152 /nfs/dbraw/zinc/72/41/52/711724152.db2.gz LQTRHBYAWQJLST-SNVBAGLBSA-N 0 0 232.352 3.879 20 0 BHADRN Cc1ccc(NC2CC3(C2)CO[C@H](C)C3)cc1F ZINC000925722883 711726557 /nfs/dbraw/zinc/72/65/57/711726557.db2.gz OOHHFDLQMGIDTR-NUYPLMSZSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1ccc(NC2CC3(C2)CO[C@@H](C)C3)cc1F ZINC000925722884 711726224 /nfs/dbraw/zinc/72/62/24/711726224.db2.gz OOHHFDLQMGIDTR-ZOODHJKOSA-N 0 0 249.329 3.504 20 0 BHADRN C[C@@H](Nc1cccc2c1CCCC2)c1ncco1 ZINC000925723058 646448136 /nfs/dbraw/zinc/44/81/36/646448136.db2.gz QVJYZWUNPZXDBQ-LLVKDONJSA-N 0 0 242.322 3.727 20 0 BHADRN C[C@H](Nc1cccc2c1CCCC2)c1ncco1 ZINC000925723059 646448600 /nfs/dbraw/zinc/44/86/00/646448600.db2.gz QVJYZWUNPZXDBQ-NSHDSACASA-N 0 0 242.322 3.727 20 0 BHADRN Cc1cccc(NC2CC3(C2)COC(C)(C)C3)c1 ZINC000925723203 646447819 /nfs/dbraw/zinc/44/78/19/646447819.db2.gz OXSMISAHRWZWDJ-UHFFFAOYSA-N 0 0 245.366 3.755 20 0 BHADRN Cc1nc2c(o1)CCC[C@H]2Nc1cccc(C)c1 ZINC000925723321 634470077 /nfs/dbraw/zinc/47/00/77/634470077.db2.gz POOQNFJXOVPGFU-CYBMUJFWSA-N 0 0 242.322 3.781 20 0 BHADRN Cc1nc2c(o1)CCC[C@@H]2Nc1cccc(C)c1 ZINC000925723322 634470588 /nfs/dbraw/zinc/47/05/88/634470588.db2.gz POOQNFJXOVPGFU-ZDUSSCGKSA-N 0 0 242.322 3.781 20 0 BHADRN Cc1noc(C)c1[C@@H](C)Nc1ccc(C)c(F)c1 ZINC000925723509 634471448 /nfs/dbraw/zinc/47/14/48/634471448.db2.gz WXBVIEMHIKSTSX-SECBINFHSA-N 0 0 248.301 3.912 20 0 BHADRN Cc1noc(C)c1[C@H](C)Nc1ccc(C)c(F)c1 ZINC000925723510 634471278 /nfs/dbraw/zinc/47/12/78/634471278.db2.gz WXBVIEMHIKSTSX-VIFPVBQESA-N 0 0 248.301 3.912 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccns2)c1 ZINC000925723663 634473453 /nfs/dbraw/zinc/47/34/53/634473453.db2.gz SWRFXSOJBBHMND-JTQLQIEISA-N 0 0 218.325 3.625 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccns2)c1 ZINC000925723666 634473039 /nfs/dbraw/zinc/47/30/39/634473039.db2.gz SWRFXSOJBBHMND-SNVBAGLBSA-N 0 0 218.325 3.625 20 0 BHADRN CCc1ccc(NC2CC3(C2)CO[C@@H](C)C3)cc1 ZINC000925723763 646448384 /nfs/dbraw/zinc/44/83/84/646448384.db2.gz XWJIQTKTGJYBKX-JQRITLKVSA-N 0 0 245.366 3.619 20 0 BHADRN CCc1ccc(NC2CC3(C2)CO[C@H](C)C3)cc1 ZINC000925723764 646448448 /nfs/dbraw/zinc/44/84/48/646448448.db2.gz XWJIQTKTGJYBKX-UWTIGNOOSA-N 0 0 245.366 3.619 20 0 BHADRN Cc1cc(C)cc(NC2CC3(C2)CO[C@H](C)C3)c1 ZINC000925723829 646449946 /nfs/dbraw/zinc/44/99/46/646449946.db2.gz ZQAWOYUVDPDXBU-IUDNXUCKSA-N 0 0 245.366 3.673 20 0 BHADRN Cc1cc(C)cc(NC2CC3(C2)CO[C@@H](C)C3)c1 ZINC000925723830 646449894 /nfs/dbraw/zinc/44/98/94/646449894.db2.gz ZQAWOYUVDPDXBU-JEYLPNPQSA-N 0 0 245.366 3.673 20 0 BHADRN Cc1nonc1[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000925723868 646449127 /nfs/dbraw/zinc/44/91/27/646449127.db2.gz CYDRYTMZCBUIES-JTQLQIEISA-N 0 0 245.326 3.675 20 0 BHADRN Cc1nonc1[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000925723869 646450272 /nfs/dbraw/zinc/45/02/72/646450272.db2.gz CYDRYTMZCBUIES-SNVBAGLBSA-N 0 0 245.326 3.675 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2ncco2)cc1 ZINC000925724102 646449909 /nfs/dbraw/zinc/44/99/09/646449909.db2.gz GKBYYOYBTAEZIY-LLVKDONJSA-N 0 0 230.311 3.971 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2ncco2)cc1 ZINC000925724103 646450584 /nfs/dbraw/zinc/45/05/84/646450584.db2.gz GKBYYOYBTAEZIY-NSHDSACASA-N 0 0 230.311 3.971 20 0 BHADRN CC(C)c1ccc(N[C@H](C)c2ccnnc2)cc1 ZINC000925724276 646449929 /nfs/dbraw/zinc/44/99/29/646449929.db2.gz IKQSCNJKRLKLKO-GFCCVEGCSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1ccc(N[C@@H](C)c2ccnnc2)cc1 ZINC000925724277 646450598 /nfs/dbraw/zinc/45/05/98/646450598.db2.gz IKQSCNJKRLKLKO-LBPRGKRZSA-N 0 0 241.338 3.773 20 0 BHADRN CCCc1ccc(N[C@@H](C)c2nonc2C)cc1 ZINC000925727831 634525764 /nfs/dbraw/zinc/52/57/64/634525764.db2.gz IQABVCFBCLPPSA-JTQLQIEISA-N 0 0 245.326 3.504 20 0 BHADRN CCCc1ccc(N[C@H](C)c2nonc2C)cc1 ZINC000925727832 634526127 /nfs/dbraw/zinc/52/61/27/634526127.db2.gz IQABVCFBCLPPSA-SNVBAGLBSA-N 0 0 245.326 3.504 20 0 BHADRN CCCc1ccc(N[C@H](C)c2ncco2)cc1 ZINC000925728172 646452182 /nfs/dbraw/zinc/45/21/82/646452182.db2.gz JNHQVZHQHCJITK-LLVKDONJSA-N 0 0 230.311 3.800 20 0 BHADRN CCCc1ccc(N[C@@H](C)c2ncco2)cc1 ZINC000925728173 646451470 /nfs/dbraw/zinc/45/14/70/646451470.db2.gz JNHQVZHQHCJITK-NSHDSACASA-N 0 0 230.311 3.800 20 0 BHADRN CC(C)c1cccc(N[C@H](C)c2ccnnc2)c1 ZINC000925728208 646452596 /nfs/dbraw/zinc/45/25/96/646452596.db2.gz JTOVJXJGCXDVRA-GFCCVEGCSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1cccc(N[C@@H](C)c2ccnnc2)c1 ZINC000925728209 646451760 /nfs/dbraw/zinc/45/17/60/646451760.db2.gz JTOVJXJGCXDVRA-LBPRGKRZSA-N 0 0 241.338 3.773 20 0 BHADRN CC(C)c1cccc(N[C@H](C)c2ncco2)c1 ZINC000925730266 646454017 /nfs/dbraw/zinc/45/40/17/646454017.db2.gz VWQADDXDMBVNBV-LLVKDONJSA-N 0 0 230.311 3.971 20 0 BHADRN CC(C)c1cccc(N[C@@H](C)c2ncco2)c1 ZINC000925730267 646454494 /nfs/dbraw/zinc/45/44/94/646454494.db2.gz VWQADDXDMBVNBV-NSHDSACASA-N 0 0 230.311 3.971 20 0 BHADRN Cc1nonc1[C@H](C)Nc1cccc(C(C)C)c1 ZINC000925730975 646453661 /nfs/dbraw/zinc/45/36/61/646453661.db2.gz ZBLKDBXAFOHNNF-JTQLQIEISA-N 0 0 245.326 3.675 20 0 BHADRN Cc1nonc1[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000925730976 646453153 /nfs/dbraw/zinc/45/31/53/646453153.db2.gz ZBLKDBXAFOHNNF-SNVBAGLBSA-N 0 0 245.326 3.675 20 0 BHADRN CCc1cccc(N[C@@H](C)c2ccns2)c1 ZINC000925731277 646455633 /nfs/dbraw/zinc/45/56/33/646455633.db2.gz AFAVRJISRQZBGK-JTQLQIEISA-N 0 0 232.352 3.879 20 0 BHADRN CCc1cccc(N[C@H](C)c2ccns2)c1 ZINC000925731280 646455517 /nfs/dbraw/zinc/45/55/17/646455517.db2.gz AFAVRJISRQZBGK-SNVBAGLBSA-N 0 0 232.352 3.879 20 0 BHADRN CCc1cccc(NC2CC3(C2)CO[C@@H](C)C3)c1 ZINC000925732391 634573183 /nfs/dbraw/zinc/57/31/83/634573183.db2.gz GJHGGHPKJWWTCZ-JQRITLKVSA-N 0 0 245.366 3.619 20 0 BHADRN CCc1cccc(NC2CC3(C2)CO[C@H](C)C3)c1 ZINC000925732392 634573603 /nfs/dbraw/zinc/57/36/03/634573603.db2.gz GJHGGHPKJWWTCZ-UWTIGNOOSA-N 0 0 245.366 3.619 20 0 BHADRN CSc1ccc(N[C@H](C)c2ncco2)cc1 ZINC000925732801 646456569 /nfs/dbraw/zinc/45/65/69/646456569.db2.gz YQQGAWPVOJJBDG-SECBINFHSA-N 0 0 234.324 3.570 20 0 BHADRN CSc1ccc(N[C@@H](C)c2ncco2)cc1 ZINC000925732804 646456029 /nfs/dbraw/zinc/45/60/29/646456029.db2.gz YQQGAWPVOJJBDG-VIFPVBQESA-N 0 0 234.324 3.570 20 0 BHADRN CCCOc1cccc(N[C@H](C)c2ncco2)c1 ZINC000925741574 634603112 /nfs/dbraw/zinc/60/31/12/634603112.db2.gz BLPIPNOWZRCMBY-LLVKDONJSA-N 0 0 246.310 3.637 20 0 BHADRN CCCOc1cccc(N[C@@H](C)c2ncco2)c1 ZINC000925741575 634604040 /nfs/dbraw/zinc/60/40/40/634604040.db2.gz BLPIPNOWZRCMBY-NSHDSACASA-N 0 0 246.310 3.637 20 0 BHADRN CCOc1cccc(N[C@@H](C)c2ccns2)c1 ZINC000925741644 634604001 /nfs/dbraw/zinc/60/40/01/634604001.db2.gz XKZOPXZMVLRWEW-JTQLQIEISA-N 0 0 248.351 3.715 20 0 BHADRN CCOc1cccc(N[C@H](C)c2ccns2)c1 ZINC000925741645 634603079 /nfs/dbraw/zinc/60/30/79/634603079.db2.gz XKZOPXZMVLRWEW-SNVBAGLBSA-N 0 0 248.351 3.715 20 0 BHADRN CC(C)Oc1ccc(N[C@H](C)c2ncco2)cc1 ZINC000925741692 646461700 /nfs/dbraw/zinc/46/17/00/646461700.db2.gz YTSLBPGIZVTHPF-LLVKDONJSA-N 0 0 246.310 3.635 20 0 BHADRN CC(C)Oc1ccc(N[C@@H](C)c2ncco2)cc1 ZINC000925741693 646462617 /nfs/dbraw/zinc/46/26/17/646462617.db2.gz YTSLBPGIZVTHPF-NSHDSACASA-N 0 0 246.310 3.635 20 0 BHADRN CCOc1ccccc1N[C@@H](C)c1ccns1 ZINC000925871472 635586338 /nfs/dbraw/zinc/58/63/38/635586338.db2.gz XHTPBSHWBBPVBI-JTQLQIEISA-N 0 0 248.351 3.715 20 0 BHADRN CCOc1ccccc1N[C@H](C)c1ccns1 ZINC000925871473 635587780 /nfs/dbraw/zinc/58/77/80/635587780.db2.gz XHTPBSHWBBPVBI-SNVBAGLBSA-N 0 0 248.351 3.715 20 0 BHADRN CCCOc1ccccc1N[C@H](C)c1ncco1 ZINC000925871494 635583136 /nfs/dbraw/zinc/58/31/36/635583136.db2.gz YGXCKDQOINJRIA-LLVKDONJSA-N 0 0 246.310 3.637 20 0 BHADRN CCCOc1ccccc1N[C@@H](C)c1ncco1 ZINC000925871495 635584164 /nfs/dbraw/zinc/58/41/64/635584164.db2.gz YGXCKDQOINJRIA-NSHDSACASA-N 0 0 246.310 3.637 20 0 BHADRN CC1(C)CC2(CC(Nc3ccccc3F)C2)CO1 ZINC000925919043 646541611 /nfs/dbraw/zinc/54/16/11/646541611.db2.gz WRFSJTXTMQXKJD-UHFFFAOYSA-N 0 0 249.329 3.585 20 0 BHADRN CCc1ccc(N[C@H](C)c2ncco2)cc1F ZINC000925926480 635641149 /nfs/dbraw/zinc/64/11/49/635641149.db2.gz PBGIAUFILIMYFA-SECBINFHSA-N 0 0 234.274 3.549 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ncco2)cc1F ZINC000925926481 635641405 /nfs/dbraw/zinc/64/14/05/635641405.db2.gz PBGIAUFILIMYFA-VIFPVBQESA-N 0 0 234.274 3.549 20 0 BHADRN Cc1cscc1N[C@H]1CCCc2oc(C)nc21 ZINC000925926507 646542297 /nfs/dbraw/zinc/54/22/97/646542297.db2.gz PRWXKMMPXGFZRE-JTQLQIEISA-N 0 0 248.351 3.842 20 0 BHADRN Cc1cscc1N[C@@H]1CCCc2oc(C)nc21 ZINC000925926508 646543095 /nfs/dbraw/zinc/54/30/95/646543095.db2.gz PRWXKMMPXGFZRE-SNVBAGLBSA-N 0 0 248.351 3.842 20 0 BHADRN Cc1cscc1N[C@H](C)C1CC(F)(F)C1 ZINC000925926788 646542696 /nfs/dbraw/zinc/54/26/96/646542696.db2.gz SFIDSPJGNWYVES-MRVPVSSYSA-N 0 0 231.311 3.902 20 0 BHADRN Cc1cscc1N[C@@H](C)C1CC(F)(F)C1 ZINC000925926789 646542342 /nfs/dbraw/zinc/54/23/42/646542342.db2.gz SFIDSPJGNWYVES-QMMMGPOBSA-N 0 0 231.311 3.902 20 0 BHADRN Cc1cscc1N[C@H](C)c1ccns1 ZINC000925926860 646543073 /nfs/dbraw/zinc/54/30/73/646543073.db2.gz UMQDMDXRRURSFM-MRVPVSSYSA-N 0 0 224.354 3.686 20 0 BHADRN Cc1cscc1N[C@@H](C)c1ccns1 ZINC000925926868 646542241 /nfs/dbraw/zinc/54/22/41/646542241.db2.gz UMQDMDXRRURSFM-QMMMGPOBSA-N 0 0 224.354 3.686 20 0 BHADRN COc1ccnc([C@H](C)Nc2cscc2C)c1 ZINC000925927095 646542362 /nfs/dbraw/zinc/54/23/62/646542362.db2.gz XXYZJEHUPYSKRY-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccnc([C@@H](C)Nc2cscc2C)c1 ZINC000925927096 646542020 /nfs/dbraw/zinc/54/20/20/646542020.db2.gz XXYZJEHUPYSKRY-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN CCCOc1ccc(N[C@H](C)c2ncco2)cc1 ZINC000925935889 646545190 /nfs/dbraw/zinc/54/51/90/646545190.db2.gz FSDLFTWYUXFFRV-LLVKDONJSA-N 0 0 246.310 3.637 20 0 BHADRN CCCOc1ccc(N[C@@H](C)c2ncco2)cc1 ZINC000925935890 646545332 /nfs/dbraw/zinc/54/53/32/646545332.db2.gz FSDLFTWYUXFFRV-NSHDSACASA-N 0 0 246.310 3.637 20 0 BHADRN CCc1ccc(N[C@H](C)c2ncco2)cc1C ZINC000925937814 646545547 /nfs/dbraw/zinc/54/55/47/646545547.db2.gz KIINNXKQWSSTHS-LLVKDONJSA-N 0 0 230.311 3.719 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ncco2)cc1C ZINC000925937815 646546420 /nfs/dbraw/zinc/54/64/20/646546420.db2.gz KIINNXKQWSSTHS-NSHDSACASA-N 0 0 230.311 3.719 20 0 BHADRN CCc1ccc(N[C@H](C)c2ccnnc2)cc1C ZINC000925938693 646545404 /nfs/dbraw/zinc/54/54/04/646545404.db2.gz SOMKFTBZAYXGNJ-GFCCVEGCSA-N 0 0 241.338 3.521 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ccnnc2)cc1C ZINC000925938694 646545221 /nfs/dbraw/zinc/54/52/21/646545221.db2.gz SOMKFTBZAYXGNJ-LBPRGKRZSA-N 0 0 241.338 3.521 20 0 BHADRN Cc1noc(C)c1[C@@H](C)Nc1ccc(F)c(C)c1 ZINC000925939457 646546415 /nfs/dbraw/zinc/54/64/15/646546415.db2.gz FAHSXEDZCQGWLA-SECBINFHSA-N 0 0 248.301 3.912 20 0 BHADRN Cc1noc(C)c1[C@H](C)Nc1ccc(F)c(C)c1 ZINC000925939459 646545781 /nfs/dbraw/zinc/54/57/81/646545781.db2.gz FAHSXEDZCQGWLA-VIFPVBQESA-N 0 0 248.301 3.912 20 0 BHADRN Cc1cc(NC2CC3(C2)CO[C@H](C)C3)ccc1F ZINC000925939720 646546096 /nfs/dbraw/zinc/54/60/96/646546096.db2.gz FZIYDAIMQQEAES-NUYPLMSZSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1cc(NC2CC3(C2)CO[C@@H](C)C3)ccc1F ZINC000925939722 646545565 /nfs/dbraw/zinc/54/55/65/646545565.db2.gz FZIYDAIMQQEAES-ZOODHJKOSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1cc(N[C@H](C)Cc2ccccn2)ccc1F ZINC000925940476 646545284 /nfs/dbraw/zinc/54/52/84/646545284.db2.gz NFIZPFGJKABSNO-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cc(N[C@@H](C)Cc2ccccn2)ccc1F ZINC000925940477 646546029 /nfs/dbraw/zinc/54/60/29/646546029.db2.gz NFIZPFGJKABSNO-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cc(N[C@H](C)c2ccns2)ccc1F ZINC000925941217 646547048 /nfs/dbraw/zinc/54/70/48/646547048.db2.gz RAQBMXBJYRHSCB-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(N[C@@H](C)c2ccns2)ccc1F ZINC000925941218 646547231 /nfs/dbraw/zinc/54/72/31/646547231.db2.gz RAQBMXBJYRHSCB-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(Cl)ccc1N[C@H](C)c1ncco1 ZINC000925945859 646547283 /nfs/dbraw/zinc/54/72/83/646547283.db2.gz BVAYDAHIAOHSPI-SECBINFHSA-N 0 0 236.702 3.810 20 0 BHADRN Cc1cc(Cl)ccc1N[C@@H](C)c1ncco1 ZINC000925945860 646546858 /nfs/dbraw/zinc/54/68/58/646546858.db2.gz BVAYDAHIAOHSPI-VIFPVBQESA-N 0 0 236.702 3.810 20 0 BHADRN Cc1noc(C)c1[C@@H](C)Nc1cc(C)ccc1F ZINC000925955718 646548746 /nfs/dbraw/zinc/54/87/46/646548746.db2.gz BOVHEFISDSSESF-SECBINFHSA-N 0 0 248.301 3.912 20 0 BHADRN Cc1noc(C)c1[C@H](C)Nc1cc(C)ccc1F ZINC000925955719 646548229 /nfs/dbraw/zinc/54/82/29/646548229.db2.gz BOVHEFISDSSESF-VIFPVBQESA-N 0 0 248.301 3.912 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccns2)c(F)c1 ZINC000925955728 646548559 /nfs/dbraw/zinc/54/85/59/646548559.db2.gz BYCJZKRRSYJSJQ-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccns2)c(F)c1 ZINC000925955729 646549038 /nfs/dbraw/zinc/54/90/38/646549038.db2.gz BYCJZKRRSYJSJQ-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(N[C@H](C)Cc2ccccn2)c(F)c1 ZINC000925956285 646548089 /nfs/dbraw/zinc/54/80/89/646548089.db2.gz IGTTYYRXZXNULR-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccc(N[C@@H](C)Cc2ccccn2)c(F)c1 ZINC000925956286 643148174 /nfs/dbraw/zinc/14/81/74/643148174.db2.gz IGTTYYRXZXNULR-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)Cc2ccccn2)c1 ZINC000925956295 646548429 /nfs/dbraw/zinc/54/84/29/646548429.db2.gz IIFPPBGMYYFJMT-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)Cc2ccccn2)c1 ZINC000925956296 646548170 /nfs/dbraw/zinc/54/81/70/646548170.db2.gz IIFPPBGMYYFJMT-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccc(F)c(NC2CC3(C2)CO[C@@H](C)C3)c1 ZINC000925956353 643150159 /nfs/dbraw/zinc/15/01/59/643150159.db2.gz JOKPQRGOOJGXQU-BZUNDVKYSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1ccc(F)c(NC2CC3(C2)CO[C@H](C)C3)c1 ZINC000925956354 643150804 /nfs/dbraw/zinc/15/08/04/643150804.db2.gz JOKPQRGOOJGXQU-XIKARTHZSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1ccc(F)c(N[C@H](C)c2ccns2)c1 ZINC000925956379 646548760 /nfs/dbraw/zinc/54/87/60/646548760.db2.gz KFVDYQLUBXBARQ-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(F)c(N[C@@H](C)c2ccns2)c1 ZINC000925956380 646549117 /nfs/dbraw/zinc/54/91/17/646549117.db2.gz KFVDYQLUBXBARQ-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(NC2CC3(C2)CO[C@@H](C)C3)c(F)c1 ZINC000925957267 646548741 /nfs/dbraw/zinc/54/87/41/646548741.db2.gz URRIEICDICOVBP-BZUNDVKYSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1ccc(NC2CC3(C2)CO[C@H](C)C3)c(F)c1 ZINC000925957268 646548497 /nfs/dbraw/zinc/54/84/97/646548497.db2.gz URRIEICDICOVBP-XIKARTHZSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1noc(C)c1[C@@H](C)Nc1ccc(C)cc1F ZINC000925957530 646549603 /nfs/dbraw/zinc/54/96/03/646549603.db2.gz WCPDFSFBYILZEC-SECBINFHSA-N 0 0 248.301 3.912 20 0 BHADRN Cc1noc(C)c1[C@H](C)Nc1ccc(C)cc1F ZINC000925957531 646550477 /nfs/dbraw/zinc/55/04/77/646550477.db2.gz WCPDFSFBYILZEC-VIFPVBQESA-N 0 0 248.301 3.912 20 0 BHADRN CSc1cccc(N[C@@H](C)c2ncco2)c1C ZINC000925959315 646549967 /nfs/dbraw/zinc/54/99/67/646549967.db2.gz CXHGTOXHNCAHFP-JTQLQIEISA-N 0 0 248.351 3.878 20 0 BHADRN CSc1cccc(N[C@H](C)c2ncco2)c1C ZINC000925959316 646549627 /nfs/dbraw/zinc/54/96/27/646549627.db2.gz CXHGTOXHNCAHFP-SNVBAGLBSA-N 0 0 248.351 3.878 20 0 BHADRN C[C@H](Nc1ccc(C2CC2)cc1)c1ncco1 ZINC000925965068 646550303 /nfs/dbraw/zinc/55/03/03/646550303.db2.gz LHQDMEXVPOMPTE-JTQLQIEISA-N 0 0 228.295 3.725 20 0 BHADRN C[C@@H](Nc1ccc(C2CC2)cc1)c1ncco1 ZINC000925965069 646550642 /nfs/dbraw/zinc/55/06/42/646550642.db2.gz LHQDMEXVPOMPTE-SNVBAGLBSA-N 0 0 228.295 3.725 20 0 BHADRN C[C@H]1COC[C@@H](C)[C@@H]1Nc1ccc(C2CC2)cc1 ZINC000925965798 646550762 /nfs/dbraw/zinc/55/07/62/646550762.db2.gz PSIDDXCMXVUUQQ-ATCWAGBWSA-N 0 0 245.366 3.647 20 0 BHADRN C[C@H]1COC[C@H](C)C1Nc1ccc(C2CC2)cc1 ZINC000925965800 646550343 /nfs/dbraw/zinc/55/03/43/646550343.db2.gz PSIDDXCMXVUUQQ-RYUDHWBXSA-N 0 0 245.366 3.647 20 0 BHADRN C[C@@H]1COC[C@@H](C)C1Nc1ccc(C2CC2)cc1 ZINC000925965803 646550638 /nfs/dbraw/zinc/55/06/38/646550638.db2.gz PSIDDXCMXVUUQQ-VXGBXAGGSA-N 0 0 245.366 3.647 20 0 BHADRN C[C@@H](Nc1ccc(C2CC2)cc1)c1ccnnc1 ZINC000925967053 646551894 /nfs/dbraw/zinc/55/18/94/646551894.db2.gz ZUUVITYKUUPCLH-LLVKDONJSA-N 0 0 239.322 3.527 20 0 BHADRN C[C@H](Nc1ccc(C2CC2)cc1)c1ccnnc1 ZINC000925967054 646551603 /nfs/dbraw/zinc/55/16/03/646551603.db2.gz ZUUVITYKUUPCLH-NSHDSACASA-N 0 0 239.322 3.527 20 0 BHADRN CCc1ccc(N[C@H](C)c2ncco2)cc1CC ZINC000925967096 646551762 /nfs/dbraw/zinc/55/17/62/646551762.db2.gz NPYWZYCICGQBHQ-LLVKDONJSA-N 0 0 244.338 3.973 20 0 BHADRN CCc1ccc(N[C@@H](C)c2ncco2)cc1CC ZINC000925967097 646552350 /nfs/dbraw/zinc/55/23/50/646552350.db2.gz NPYWZYCICGQBHQ-NSHDSACASA-N 0 0 244.338 3.973 20 0 BHADRN Cc1cccc(N[C@H](C)c2ccns2)c1F ZINC000925968809 646551584 /nfs/dbraw/zinc/55/15/84/646551584.db2.gz BWGJVFPIWXDATM-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ccns2)c1F ZINC000925968810 646551482 /nfs/dbraw/zinc/55/14/82/646551482.db2.gz BWGJVFPIWXDATM-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1noc(C)c1[C@@H](C)Nc1cccc(C)c1F ZINC000925970960 646552076 /nfs/dbraw/zinc/55/20/76/646552076.db2.gz ROOAWQQRKRDZON-SECBINFHSA-N 0 0 248.301 3.912 20 0 BHADRN Cc1noc(C)c1[C@H](C)Nc1cccc(C)c1F ZINC000925970961 646551464 /nfs/dbraw/zinc/55/14/64/646551464.db2.gz ROOAWQQRKRDZON-VIFPVBQESA-N 0 0 248.301 3.912 20 0 BHADRN Cc1cccc(N[C@H](C)Cc2ccccn2)c1F ZINC000925971062 646551435 /nfs/dbraw/zinc/55/14/35/646551435.db2.gz SNBSLOXGCDVABC-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cccc(N[C@@H](C)Cc2ccccn2)c1F ZINC000925971064 646552166 /nfs/dbraw/zinc/55/21/66/646552166.db2.gz SNBSLOXGCDVABC-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cccc(NC2CC3(C2)CO[C@@H](C)C3)c1F ZINC000925972895 646551904 /nfs/dbraw/zinc/55/19/04/646551904.db2.gz LCRYPJUONSJEQF-BZUNDVKYSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1cccc(NC2CC3(C2)CO[C@H](C)C3)c1F ZINC000925972896 646551536 /nfs/dbraw/zinc/55/15/36/646551536.db2.gz LCRYPJUONSJEQF-XIKARTHZSA-N 0 0 249.329 3.504 20 0 BHADRN CSc1ccc(C)c(N[C@@H](C)c2ncco2)c1 ZINC000925973100 646552258 /nfs/dbraw/zinc/55/22/58/646552258.db2.gz NFQBENPETKCPEE-JTQLQIEISA-N 0 0 248.351 3.878 20 0 BHADRN CSc1ccc(C)c(N[C@H](C)c2ncco2)c1 ZINC000925973101 646551202 /nfs/dbraw/zinc/55/12/02/646551202.db2.gz NFQBENPETKCPEE-SNVBAGLBSA-N 0 0 248.351 3.878 20 0 BHADRN Cc1ccc(N[C@H](C)c2cc[nH]c(=O)c2)c(C)c1 ZINC000925974687 646551872 /nfs/dbraw/zinc/55/18/72/646551872.db2.gz CIHFYGHBJMFZKL-GFCCVEGCSA-N 0 0 242.322 3.577 20 0 BHADRN Cc1ccc(N[C@@H](C)c2cc[nH]c(=O)c2)c(C)c1 ZINC000925974689 646551128 /nfs/dbraw/zinc/55/11/28/646551128.db2.gz CIHFYGHBJMFZKL-LBPRGKRZSA-N 0 0 242.322 3.577 20 0 BHADRN Cc1ccc(N[C@H](C)c2ccns2)c(C)c1 ZINC000925975616 646551976 /nfs/dbraw/zinc/55/19/76/646551976.db2.gz LQIMIPGRRVEGIX-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ccns2)c(C)c1 ZINC000925975617 646551440 /nfs/dbraw/zinc/55/14/40/646551440.db2.gz LQIMIPGRRVEGIX-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(NC2CC3(C2)CO[C@@H](C)C3)c(C)c1 ZINC000925976235 646552112 /nfs/dbraw/zinc/55/21/12/646552112.db2.gz QFLPNPCSCWHQRA-HLIUYOAVSA-N 0 0 245.366 3.673 20 0 BHADRN Cc1ccc(NC2CC3(C2)CO[C@H](C)C3)c(C)c1 ZINC000925976237 646551663 /nfs/dbraw/zinc/55/16/63/646551663.db2.gz QFLPNPCSCWHQRA-VQCLRJIVSA-N 0 0 245.366 3.673 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)c1ccns1 ZINC000925978302 646552456 /nfs/dbraw/zinc/55/24/56/646552456.db2.gz LBLGKSUQSDELIZ-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)c1ccns1 ZINC000925978303 646551636 /nfs/dbraw/zinc/55/16/36/646551636.db2.gz LBLGKSUQSDELIZ-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(F)ccc1NC1CC2(C1)CO[C@H](C)C2 ZINC000925979008 646552136 /nfs/dbraw/zinc/55/21/36/646552136.db2.gz RGPOXZGAIVIISR-NUYPLMSZSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1cc(F)ccc1NC1CC2(C1)CO[C@@H](C)C2 ZINC000925979009 646551285 /nfs/dbraw/zinc/55/12/85/646551285.db2.gz RGPOXZGAIVIISR-ZOODHJKOSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1cc(F)ccc1N[C@H](C)Cc1ccccn1 ZINC000925979023 646552278 /nfs/dbraw/zinc/55/22/78/646552278.db2.gz RUQNLAFJIDMGLS-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cc(F)ccc1N[C@@H](C)Cc1ccccn1 ZINC000925979024 646551924 /nfs/dbraw/zinc/55/19/24/646551924.db2.gz RUQNLAFJIDMGLS-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1c(Cl)cccc1N[C@H](C)c1ncco1 ZINC000926021846 646560801 /nfs/dbraw/zinc/56/08/01/646560801.db2.gz DIHNXOSSQZBMST-SECBINFHSA-N 0 0 236.702 3.810 20 0 BHADRN Cc1c(Cl)cccc1N[C@@H](C)c1ncco1 ZINC000926021847 646560498 /nfs/dbraw/zinc/56/04/98/646560498.db2.gz DIHNXOSSQZBMST-VIFPVBQESA-N 0 0 236.702 3.810 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)Cc1ccccn1 ZINC000926022739 643383737 /nfs/dbraw/zinc/38/37/37/643383737.db2.gz UHSNZCUOZHGWGD-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)Cc1ccccn1 ZINC000926022740 643383006 /nfs/dbraw/zinc/38/30/06/643383006.db2.gz UHSNZCUOZHGWGD-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN COc1ccc(C)cc1N[C@@H](C)c1ccns1 ZINC000926024491 646561627 /nfs/dbraw/zinc/56/16/27/646561627.db2.gz JQJQGYRSCWCDHC-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccc(C)cc1N[C@H](C)c1ccns1 ZINC000926024492 646561337 /nfs/dbraw/zinc/56/13/37/646561337.db2.gz JQJQGYRSCWCDHC-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN Cc1ccc(C)c(NC2CC3(C2)CO[C@@H](C)C3)c1 ZINC000926024648 643386852 /nfs/dbraw/zinc/38/68/52/643386852.db2.gz BSUDJNYMUXMRHM-HLIUYOAVSA-N 0 0 245.366 3.673 20 0 BHADRN Cc1ccc(C)c(NC2CC3(C2)CO[C@H](C)C3)c1 ZINC000926024649 643385746 /nfs/dbraw/zinc/38/57/46/643385746.db2.gz BSUDJNYMUXMRHM-VQCLRJIVSA-N 0 0 245.366 3.673 20 0 BHADRN Cc1ccc(F)cc1N[C@H](C)c1ccns1 ZINC000926024795 643385837 /nfs/dbraw/zinc/38/58/37/643385837.db2.gz KELVOGOOONMAND-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(F)cc1N[C@@H](C)c1ccns1 ZINC000926024797 643387035 /nfs/dbraw/zinc/38/70/35/643387035.db2.gz KELVOGOOONMAND-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1ccc(F)cc1NC1CC2(C1)CO[C@H](C)C2 ZINC000926025410 643386841 /nfs/dbraw/zinc/38/68/41/643386841.db2.gz MSUGUCMGOSZVAM-NUYPLMSZSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1ccc(F)cc1NC1CC2(C1)CO[C@@H](C)C2 ZINC000926025413 643387159 /nfs/dbraw/zinc/38/71/59/643387159.db2.gz MSUGUCMGOSZVAM-ZOODHJKOSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1ccc(C)c(N[C@H](C)c2ccns2)c1 ZINC000926026480 646561893 /nfs/dbraw/zinc/56/18/93/646561893.db2.gz JJWSBKBVQQDWCH-LLVKDONJSA-N 0 0 232.352 3.933 20 0 BHADRN Cc1ccc(C)c(N[C@@H](C)c2ccns2)c1 ZINC000926026481 646561555 /nfs/dbraw/zinc/56/15/55/646561555.db2.gz JJWSBKBVQQDWCH-NSHDSACASA-N 0 0 232.352 3.933 20 0 BHADRN COc1ccc(N[C@@H](C)c2ccns2)c(C)c1 ZINC000926035647 643403216 /nfs/dbraw/zinc/40/32/16/643403216.db2.gz CFZKHBLYMRDEEX-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN COc1ccc(N[C@H](C)c2ccns2)c(C)c1 ZINC000926035648 643403831 /nfs/dbraw/zinc/40/38/31/643403831.db2.gz CFZKHBLYMRDEEX-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)Cc2ccccn2)c1 ZINC000926037959 646563076 /nfs/dbraw/zinc/56/30/76/646563076.db2.gz KUIUGAGKXRNSBF-GFCCVEGCSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)Cc2ccccn2)c1 ZINC000926037960 646563353 /nfs/dbraw/zinc/56/33/53/646563353.db2.gz KUIUGAGKXRNSBF-LBPRGKRZSA-N 0 0 244.313 3.572 20 0 BHADRN Cc1cc(F)cc(N[C@H](C)c2ccns2)c1 ZINC000926038403 646563387 /nfs/dbraw/zinc/56/33/87/646563387.db2.gz NFIANFNSZXCFCU-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1cc(F)cc(N[C@@H](C)c2ccns2)c1 ZINC000926038404 646563344 /nfs/dbraw/zinc/56/33/44/646563344.db2.gz NFIANFNSZXCFCU-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN Cc1c(F)cccc1NC1CC2(C1)CO[C@H](C)C2 ZINC000926042749 646563969 /nfs/dbraw/zinc/56/39/69/646563969.db2.gz NOXCSQSRJRFYGW-CKQAKLJMSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1c(F)cccc1NC1CC2(C1)CO[C@@H](C)C2 ZINC000926042750 646563909 /nfs/dbraw/zinc/56/39/09/646563909.db2.gz NOXCSQSRJRFYGW-VLRKGOCCSA-N 0 0 249.329 3.504 20 0 BHADRN Cc1c(F)cccc1N[C@H](C)c1ccns1 ZINC000926043519 643420404 /nfs/dbraw/zinc/42/04/04/643420404.db2.gz YTFJFGACYWXSAO-SECBINFHSA-N 0 0 236.315 3.764 20 0 BHADRN Cc1c(F)cccc1N[C@@H](C)c1ccns1 ZINC000926043520 643419902 /nfs/dbraw/zinc/41/99/02/643419902.db2.gz YTFJFGACYWXSAO-VIFPVBQESA-N 0 0 236.315 3.764 20 0 BHADRN CCOc1cc(C)ccc1N[C@H](C)c1ncco1 ZINC000926048523 646564790 /nfs/dbraw/zinc/56/47/90/646564790.db2.gz VNPWODCVEJXTLD-LLVKDONJSA-N 0 0 246.310 3.555 20 0 BHADRN CCOc1cc(C)ccc1N[C@@H](C)c1ncco1 ZINC000926048524 646564850 /nfs/dbraw/zinc/56/48/50/646564850.db2.gz VNPWODCVEJXTLD-NSHDSACASA-N 0 0 246.310 3.555 20 0 BHADRN COc1cc(C)ccc1N[C@@H](C)c1ccns1 ZINC000926055570 643453658 /nfs/dbraw/zinc/45/36/58/643453658.db2.gz VKXKCYGEYXFATG-JTQLQIEISA-N 0 0 248.351 3.633 20 0 BHADRN COc1cc(C)ccc1N[C@H](C)c1ccns1 ZINC000926055578 643454709 /nfs/dbraw/zinc/45/47/09/643454709.db2.gz VKXKCYGEYXFATG-SNVBAGLBSA-N 0 0 248.351 3.633 20 0 BHADRN CCOc1cc(N[C@H](C)c2ncco2)ccc1C ZINC000926081444 646572777 /nfs/dbraw/zinc/57/27/77/646572777.db2.gz HKPGJLWFNHPZPB-LLVKDONJSA-N 0 0 246.310 3.555 20 0 BHADRN CCOc1cc(N[C@@H](C)c2ncco2)ccc1C ZINC000926081445 646571894 /nfs/dbraw/zinc/57/18/94/646571894.db2.gz HKPGJLWFNHPZPB-NSHDSACASA-N 0 0 246.310 3.555 20 0 BHADRN CSCc1ccc(N[C@@H](C)c2ncco2)cc1 ZINC000926084758 646572195 /nfs/dbraw/zinc/57/21/95/646572195.db2.gz JXKKPDOBTRJBSS-JTQLQIEISA-N 0 0 248.351 3.711 20 0 BHADRN CSCc1ccc(N[C@H](C)c2ncco2)cc1 ZINC000926084759 646573118 /nfs/dbraw/zinc/57/31/18/646573118.db2.gz JXKKPDOBTRJBSS-SNVBAGLBSA-N 0 0 248.351 3.711 20 0 BHADRN CO[C@H](C)c1cccc(N[C@H](C)c2ncco2)c1 ZINC000926085300 646572866 /nfs/dbraw/zinc/57/28/66/646572866.db2.gz NHQFIRJNOQXGTO-GHMZBOCLSA-N 0 0 246.310 3.555 20 0 BHADRN CO[C@@H](C)c1cccc(N[C@H](C)c2ncco2)c1 ZINC000926085302 646572153 /nfs/dbraw/zinc/57/21/53/646572153.db2.gz NHQFIRJNOQXGTO-MNOVXSKESA-N 0 0 246.310 3.555 20 0 BHADRN CO[C@@H](C)c1cccc(N[C@@H](C)c2ncco2)c1 ZINC000926085303 646572679 /nfs/dbraw/zinc/57/26/79/646572679.db2.gz NHQFIRJNOQXGTO-QWRGUYRKSA-N 0 0 246.310 3.555 20 0 BHADRN CO[C@H](C)c1cccc(N[C@@H](C)c2ncco2)c1 ZINC000926085306 646572188 /nfs/dbraw/zinc/57/21/88/646572188.db2.gz NHQFIRJNOQXGTO-WDEREUQCSA-N 0 0 246.310 3.555 20 0 BHADRN CSCc1cccc(N[C@@H](C)c2ncco2)c1 ZINC000926086480 643579354 /nfs/dbraw/zinc/57/93/54/643579354.db2.gz NOWJIRHEFOQULL-JTQLQIEISA-N 0 0 248.351 3.711 20 0 BHADRN CSCc1cccc(N[C@H](C)c2ncco2)c1 ZINC000926086481 643580386 /nfs/dbraw/zinc/58/03/86/643580386.db2.gz NOWJIRHEFOQULL-SNVBAGLBSA-N 0 0 248.351 3.711 20 0 BHADRN CCSc1cccc(N[C@@H](C)c2ncco2)c1 ZINC000926090258 646574435 /nfs/dbraw/zinc/57/44/35/646574435.db2.gz MTBFERZQPPGTLV-JTQLQIEISA-N 0 0 248.351 3.960 20 0 BHADRN CCSc1cccc(N[C@H](C)c2ncco2)c1 ZINC000926090260 646574398 /nfs/dbraw/zinc/57/43/98/646574398.db2.gz MTBFERZQPPGTLV-SNVBAGLBSA-N 0 0 248.351 3.960 20 0 BHADRN Cc1cccc(N[C@H](C)c2ncco2)c1Cl ZINC000926102905 646574194 /nfs/dbraw/zinc/57/41/94/646574194.db2.gz FICIRMXPYBPWRG-SECBINFHSA-N 0 0 236.702 3.810 20 0 BHADRN Cc1cccc(N[C@@H](C)c2ncco2)c1Cl ZINC000926102906 646573818 /nfs/dbraw/zinc/57/38/18/646573818.db2.gz FICIRMXPYBPWRG-VIFPVBQESA-N 0 0 236.702 3.810 20 0 BHADRN Cc1ccc(N[C@H](C)c2ncco2)c(Cl)c1 ZINC000926103351 646574377 /nfs/dbraw/zinc/57/43/77/646574377.db2.gz BLRSRDYXZUIHSM-SECBINFHSA-N 0 0 236.702 3.810 20 0 BHADRN Cc1ccc(N[C@@H](C)c2ncco2)c(Cl)c1 ZINC000926103352 646574785 /nfs/dbraw/zinc/57/47/85/646574785.db2.gz BLRSRDYXZUIHSM-VIFPVBQESA-N 0 0 236.702 3.810 20 0 BHADRN Cc1ccc(Cl)c(N[C@H](C)c2ncco2)c1 ZINC000926103856 646574267 /nfs/dbraw/zinc/57/42/67/646574267.db2.gz XIRARNFNWMYMMB-SECBINFHSA-N 0 0 236.702 3.810 20 0 BHADRN Cc1ccc(Cl)c(N[C@@H](C)c2ncco2)c1 ZINC000926103857 646573809 /nfs/dbraw/zinc/57/38/09/646573809.db2.gz XIRARNFNWMYMMB-VIFPVBQESA-N 0 0 236.702 3.810 20 0 BHADRN CCC/C=C/C(=O)Nc1nccc(C)c1C1CC1 ZINC000926104339 646573991 /nfs/dbraw/zinc/57/39/91/646573991.db2.gz WPYUSHLKAQLPQB-AATRIKPKSA-N 0 0 244.338 3.562 20 0 BHADRN CCC/C=C\C(=O)Nc1nccc(C)c1C1CC1 ZINC000926104340 646573712 /nfs/dbraw/zinc/57/37/12/646573712.db2.gz WPYUSHLKAQLPQB-WAYWQWQTSA-N 0 0 244.338 3.562 20 0 BHADRN CCc1cc(N[C@H](C)c2ncco2)ccc1F ZINC000926399717 646630210 /nfs/dbraw/zinc/63/02/10/646630210.db2.gz CWQGUSBXYUYKOY-SECBINFHSA-N 0 0 234.274 3.549 20 0 BHADRN CCc1cc(N[C@@H](C)c2ncco2)ccc1F ZINC000926399719 646629856 /nfs/dbraw/zinc/62/98/56/646629856.db2.gz CWQGUSBXYUYKOY-VIFPVBQESA-N 0 0 234.274 3.549 20 0 BHADRN FC(F)(F)[C@H](NC1CC2(C1)CCCC2)C1CC1 ZINC000926434680 646638173 /nfs/dbraw/zinc/63/81/73/646638173.db2.gz SVAHEJZQEKXDSE-LLVKDONJSA-N 0 0 247.304 3.640 20 0 BHADRN FC(F)(F)[C@@H](NC1CC2(C1)CCCC2)C1CC1 ZINC000926434681 646638525 /nfs/dbraw/zinc/63/85/25/646638525.db2.gz SVAHEJZQEKXDSE-NSHDSACASA-N 0 0 247.304 3.640 20 0 BHADRN C[C@@H](Nc1cc(C2CC2)ccn1)c1ccns1 ZINC000926456878 632080022 /nfs/dbraw/zinc/08/00/22/632080022.db2.gz NYCFVQDMOBGYLA-SECBINFHSA-N 0 0 245.351 3.589 20 0 BHADRN C[C@H](Nc1cc(C2CC2)ccn1)c1ccns1 ZINC000926456883 632079395 /nfs/dbraw/zinc/07/93/95/632079395.db2.gz NYCFVQDMOBGYLA-VIFPVBQESA-N 0 0 245.351 3.589 20 0 BHADRN C[C@@H](NCCCCF)C(F)(F)c1ccccc1 ZINC000926463634 646649844 /nfs/dbraw/zinc/64/98/44/646649844.db2.gz NFYWFOOAKJYVHM-LLVKDONJSA-N 0 0 245.288 3.506 20 0 BHADRN C[C@H](NCCCCF)C(F)(F)c1ccccc1 ZINC000926463635 646649166 /nfs/dbraw/zinc/64/91/66/646649166.db2.gz NFYWFOOAKJYVHM-NSHDSACASA-N 0 0 245.288 3.506 20 0 BHADRN C[C@@H](F)CCN[C@H](C)C(F)(F)c1ccccc1 ZINC000926485080 646656579 /nfs/dbraw/zinc/65/65/79/646656579.db2.gz HDDDQQXIHCRTNP-GHMZBOCLSA-N 0 0 245.288 3.505 20 0 BHADRN C[C@@H](F)CCN[C@@H](C)C(F)(F)c1ccccc1 ZINC000926485081 646655897 /nfs/dbraw/zinc/65/58/97/646655897.db2.gz HDDDQQXIHCRTNP-MNOVXSKESA-N 0 0 245.288 3.505 20 0 BHADRN C[C@H](F)CCN[C@@H](C)C(F)(F)c1ccccc1 ZINC000926485082 646656211 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